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 3bsd_1_A DATA FIRST_RESID 8 DATA SEQUENCE DVTTAHSDYE IVLEGGSSSW GKVKARAKVN APPASPLLPA DCDVKLNVKP DATA SEQUENCE LDPAKGFVRI SAVFESIVDS TKNKLTIEAD IANETKERRI SVGEGMVSVG DATA SEQUENCE DFSHTFSFEG SVVNLFYYRS DAVRRNVPNP IYMQGRQFHD ILMKVPLDNN DATA SEQUENCE DLIDTWEGTV KAIGSTGAFN DWIRDFWFIG PAFTALNEGG QRISRIEVNG DATA SEQUENCE LNTESGPKGP VGVSRWRFSH GGSGMVDSIS RWAELFPSDK LNRPAQVEAG DATA SEQUENCE FRSDSQGIEV KVDGEFPGVS VDAGGGLRRI LNHPLIPLVH HGMVGKFNNF DATA SEQUENCE NVDAQLKVVL PKGYKIRYAA PQYRSQNLEE YRWSGGAYAR WVEHVCKGGV DATA SEQUENCE GQFEILYAQ 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 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.323 176.300 0.038 0.000 2.045 8 D CA 0.000 54.021 54.000 0.035 0.000 0.868 8 D CB 0.000 40.821 40.800 0.034 0.000 0.688 9 V N 1.433 121.375 119.914 0.046 0.000 2.735 9 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 9 V C -0.154 175.977 176.094 0.061 0.000 1.061 9 V CA -0.549 61.781 62.300 0.049 0.000 0.913 9 V CB 2.366 34.215 31.823 0.043 0.000 1.005 9 V HN 0.610 nan 8.190 nan 0.000 0.428 10 T N 3.486 118.081 114.554 0.068 0.000 2.727 10 T HA 0.416 4.766 4.350 -0.000 0.000 0.298 10 T C -0.007 174.749 174.700 0.093 0.000 0.942 10 T CA -0.108 62.043 62.100 0.086 0.000 0.997 10 T CB 0.296 69.228 68.868 0.107 0.000 0.917 10 T HN 0.755 nan 8.240 nan 0.000 0.487 11 T N 2.491 117.070 114.554 0.042 0.000 2.829 11 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 11 T C -0.104 174.500 174.700 -0.160 0.000 0.999 11 T CA -0.797 61.261 62.100 -0.069 0.000 0.983 11 T CB 1.667 70.407 68.868 -0.214 0.000 0.968 11 T HN 0.589 nan 8.240 nan 0.000 0.446 12 A N 3.183 125.911 122.820 -0.153 0.000 2.252 12 A HA 0.537 4.857 4.320 -0.000 0.000 0.309 12 A C -0.294 177.143 177.584 -0.244 0.000 1.285 12 A CA -0.665 51.267 52.037 -0.175 0.000 0.900 12 A CB 0.054 18.945 19.000 -0.183 0.000 1.157 12 A HN 0.901 nan 8.150 nan 0.000 0.536 13 H N 2.170 121.246 119.070 0.011 0.000 2.504 13 H HA 0.549 5.105 4.556 -0.000 0.000 0.322 13 H C -0.251 175.052 175.328 -0.042 0.000 1.055 13 H CA 0.049 56.100 56.048 0.004 0.000 1.231 13 H CB 1.627 31.393 29.762 0.007 0.000 1.417 13 H HN 0.758 nan 8.280 nan 0.000 0.472 14 S N 3.207 118.913 115.700 0.011 0.000 2.564 14 S HA 0.466 4.936 4.470 -0.000 0.000 0.274 14 S C -1.108 173.290 174.600 -0.336 0.000 1.124 14 S CA -1.053 57.018 58.200 -0.215 0.000 0.869 14 S CB 3.096 66.094 63.200 -0.338 0.000 1.105 14 S HN 0.535 nan 8.310 nan 0.000 0.472 15 D N 0.941 121.045 120.400 -0.494 0.000 2.936 15 D HA 0.379 5.018 4.640 -0.000 0.000 0.238 15 D C -1.733 174.333 176.300 -0.391 0.000 1.248 15 D CA -0.084 53.718 54.000 -0.330 0.000 0.903 15 D CB 1.794 42.540 40.800 -0.090 0.000 1.544 15 D HN 0.556 nan 8.370 nan 0.000 0.543 16 Y N 0.490 120.887 120.300 0.161 0.000 2.409 16 Y HA 0.422 4.972 4.550 -0.000 0.000 0.343 16 Y C 0.306 176.272 175.900 0.110 0.000 0.973 16 Y CA -0.847 57.338 58.100 0.141 0.000 1.064 16 Y CB 2.096 40.666 38.460 0.183 0.000 1.207 16 Y HN 0.188 nan 8.280 nan 0.000 0.452 17 E N 3.214 123.547 120.200 0.222 0.000 2.272 17 E HA 0.695 5.045 4.350 -0.000 0.000 0.269 17 E C -1.777 174.870 176.600 0.078 0.000 0.877 17 E CA -0.643 55.837 56.400 0.133 0.000 0.755 17 E CB 1.751 31.505 29.700 0.091 0.000 1.192 17 E HN 0.715 nan 8.360 nan 0.000 0.422 18 I N 3.946 124.539 120.570 0.038 0.000 2.500 18 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 18 I C -1.101 174.991 176.117 -0.042 0.000 1.063 18 I CA -0.892 60.393 61.300 -0.026 0.000 1.062 18 I CB 2.026 39.989 38.000 -0.062 0.000 1.223 18 I HN 0.248 nan 8.210 nan 0.000 0.435 19 V N 7.274 127.150 119.914 -0.063 0.000 2.409 19 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 19 V C -0.150 175.887 176.094 -0.094 0.000 1.020 19 V CA -0.493 61.768 62.300 -0.065 0.000 0.848 19 V CB 2.000 33.799 31.823 -0.040 0.000 0.990 19 V HN 0.468 nan 8.190 nan 0.000 0.430 20 L N 3.715 124.863 121.223 -0.125 0.000 2.307 20 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 20 L C 0.325 177.129 176.870 -0.110 0.000 1.023 20 L CA -0.457 54.298 54.840 -0.140 0.000 0.810 20 L CB 1.823 43.734 42.059 -0.247 0.000 1.231 20 L HN 0.631 nan 8.230 nan 0.000 0.423 21 E N 1.103 121.275 120.200 -0.047 0.000 2.398 21 E HA 0.278 4.628 4.350 -0.000 0.000 0.263 21 E C 0.258 176.824 176.600 -0.057 0.000 1.046 21 E CA -0.090 56.295 56.400 -0.026 0.000 0.908 21 E CB 1.091 30.820 29.700 0.049 0.000 0.963 21 E HN 0.709 nan 8.360 nan 0.000 0.431 22 G N 1.671 110.442 108.800 -0.048 0.000 2.621 22 G HA2 0.492 4.452 3.960 -0.000 0.000 0.271 22 G HA3 0.492 4.452 3.960 -0.000 0.000 0.271 22 G C 0.367 175.292 174.900 0.043 0.000 1.236 22 G CA -0.087 44.993 45.100 -0.033 0.000 0.958 22 G HN 0.915 nan 8.290 nan 0.000 0.512 23 G N -0.686 108.196 108.800 0.136 0.000 2.562 23 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.250 23 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.250 23 G C 1.129 176.092 174.900 0.106 0.000 1.269 23 G CA 1.005 46.186 45.100 0.136 0.000 0.919 23 G HN 2.006 nan 8.290 nan 0.000 0.574 24 S N -0.850 114.897 115.700 0.080 0.000 2.660 24 S HA 0.523 4.992 4.470 -0.000 0.000 0.227 24 S C 0.987 175.632 174.600 0.074 0.000 0.948 24 S CA 1.133 59.370 58.200 0.061 0.000 0.948 24 S CB 0.270 63.495 63.200 0.043 0.000 0.779 24 S HN 1.946 nan 8.310 nan 0.000 0.487 25 S N 2.272 118.029 115.700 0.093 0.000 2.525 25 S HA 0.178 4.648 4.470 -0.000 0.000 0.285 25 S C 1.103 175.789 174.600 0.143 0.000 1.283 25 S CA 0.041 58.336 58.200 0.158 0.000 1.072 25 S CB 0.348 63.629 63.200 0.135 0.000 0.867 25 S HN 0.637 nan 8.310 nan 0.000 0.492 26 S N 4.236 120.028 115.700 0.153 0.000 2.597 26 S HA 0.202 4.672 4.470 -0.000 0.000 0.224 26 S C -0.036 174.587 174.600 0.038 0.000 0.955 26 S CA -0.818 57.417 58.200 0.058 0.000 0.933 26 S CB -0.219 62.974 63.200 -0.011 0.000 0.788 26 S HN 0.712 nan 8.310 nan 0.000 0.488 27 W N 1.547 122.811 121.300 -0.060 0.000 2.150 27 W HA 0.594 5.254 4.660 -0.000 0.000 0.341 27 W C 0.868 177.291 176.519 -0.160 0.000 1.276 27 W CA 0.884 58.170 57.345 -0.097 0.000 1.238 27 W CB 0.577 29.990 29.460 -0.078 0.000 1.128 27 W HN 0.364 nan 8.180 nan 0.000 0.581 28 G N 1.528 110.303 108.800 -0.042 0.000 2.698 28 G HA2 0.532 4.492 3.960 -0.000 0.000 0.293 28 G HA3 0.532 4.492 3.960 -0.000 0.000 0.293 28 G C -1.925 172.809 174.900 -0.277 0.000 1.437 28 G CA -1.218 43.787 45.100 -0.159 0.000 0.852 28 G HN 0.221 nan 8.290 nan 0.000 0.499 29 K N -0.070 120.224 120.400 -0.177 0.000 2.183 29 K HA 0.646 4.966 4.320 -0.000 0.000 0.274 29 K C -0.575 175.931 176.600 -0.158 0.000 1.009 29 K CA -0.483 55.705 56.287 -0.164 0.000 0.888 29 K CB 2.220 34.686 32.500 -0.058 0.000 1.078 29 K HN 0.246 nan 8.250 nan 0.000 0.459 30 V N 3.757 123.588 119.914 -0.139 0.000 2.487 30 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 30 V C -0.386 175.752 176.094 0.073 0.000 1.028 30 V CA -0.860 61.428 62.300 -0.019 0.000 0.860 30 V CB 1.501 33.343 31.823 0.033 0.000 0.991 30 V HN 0.588 nan 8.190 nan 0.000 0.427 31 K N 2.786 123.244 120.400 0.097 0.000 2.375 31 K HA 0.915 5.235 4.320 -0.000 0.000 0.249 31 K C -1.116 175.585 176.600 0.167 0.000 0.942 31 K CA -0.499 55.857 56.287 0.116 0.000 0.806 31 K CB 2.489 35.038 32.500 0.081 0.000 1.227 31 K HN 0.859 nan 8.250 nan 0.000 0.430 32 A N 3.440 126.358 122.820 0.163 0.000 2.520 32 A HA 0.714 5.034 4.320 -0.000 0.000 0.298 32 A C -1.404 176.243 177.584 0.106 0.000 1.051 32 A CA -0.796 51.357 52.037 0.193 0.000 0.690 32 A CB 1.314 20.511 19.000 0.328 0.000 1.281 32 A HN 0.736 nan 8.150 nan 0.000 0.402 33 R N 0.276 120.793 120.500 0.028 0.000 2.628 33 R HA 0.779 5.119 4.340 -0.000 0.000 0.288 33 R C -0.728 175.563 176.300 -0.015 0.000 0.980 33 R CA -0.337 55.775 56.100 0.020 0.000 0.891 33 R CB 2.469 32.771 30.300 0.004 0.000 1.188 33 R HN 1.112 nan 8.270 nan 0.000 0.450 34 A N 2.574 125.417 122.820 0.037 0.000 2.455 34 A HA 0.621 4.941 4.320 -0.000 0.000 0.300 34 A C -1.233 176.387 177.584 0.059 0.000 1.040 34 A CA -0.784 51.275 52.037 0.036 0.000 0.697 34 A CB 1.499 20.535 19.000 0.060 0.000 1.265 34 A HN 0.610 nan 8.150 nan 0.000 0.407 35 K N 1.016 121.463 120.400 0.078 0.000 2.471 35 K HA 0.633 4.953 4.320 -0.000 0.000 0.252 35 K C -1.801 174.853 176.600 0.091 0.000 0.938 35 K CA -0.522 55.825 56.287 0.101 0.000 0.796 35 K CB 2.488 35.064 32.500 0.127 0.000 1.161 35 K HN 0.509 nan 8.250 nan 0.000 0.425 36 V N 3.738 123.678 119.914 0.043 0.000 2.760 36 V HA 0.297 4.416 4.120 -0.000 0.000 0.309 36 V C -1.021 175.092 176.094 0.032 0.000 1.077 36 V CA -0.825 61.480 62.300 0.008 0.000 0.910 36 V CB 1.933 33.698 31.823 -0.096 0.000 1.008 36 V HN 0.880 nan 8.190 nan 0.000 0.424 37 N N 4.847 123.575 118.700 0.048 0.000 2.802 37 N HA 0.378 5.118 4.740 -0.000 0.000 0.288 37 N C -0.365 175.169 175.510 0.040 0.000 1.268 37 N CA 0.142 53.223 53.050 0.052 0.000 1.035 37 N CB 0.912 39.440 38.487 0.068 0.000 1.353 37 N HN 0.730 nan 8.380 nan 0.000 0.522 38 A N 0.724 123.559 122.820 0.025 0.000 2.401 38 A HA 0.722 5.042 4.320 -0.000 0.000 0.310 38 A C -2.766 174.833 177.584 0.024 0.000 1.075 38 A CA -1.643 50.412 52.037 0.029 0.000 0.746 38 A CB 1.541 20.557 19.000 0.027 0.000 1.277 38 A HN 0.172 nan 8.150 nan 0.000 0.425 39 P HA 0.352 nan 4.420 nan 0.000 0.275 39 P C -2.623 174.689 177.300 0.021 0.000 1.227 39 P CA -1.018 62.096 63.100 0.022 0.000 0.781 39 P CB -0.210 31.499 31.700 0.014 0.000 0.906 40 P HA 0.136 nan 4.420 nan 0.000 0.272 40 P C -0.135 177.169 177.300 0.006 0.000 1.230 40 P CA -0.305 62.790 63.100 -0.009 0.000 0.788 40 P CB 0.335 32.014 31.700 -0.034 0.000 0.949 41 A N 0.620 123.453 122.820 0.022 0.000 2.734 41 A HA 0.222 4.542 4.320 -0.000 0.000 0.279 41 A C 0.773 178.351 177.584 -0.011 0.000 1.386 41 A CA 0.032 52.074 52.037 0.007 0.000 0.987 41 A CB -0.977 18.088 19.000 0.108 0.000 1.041 41 A HN 0.421 nan 8.150 nan 0.000 0.569 42 S N 1.280 116.975 115.700 -0.008 0.000 2.452 42 S HA 0.408 4.878 4.470 -0.000 0.000 0.284 42 S C -1.023 173.572 174.600 -0.008 0.000 1.171 42 S CA -1.290 56.911 58.200 0.001 0.000 1.064 42 S CB 0.737 63.952 63.200 0.026 0.000 0.967 42 S HN 0.376 nan 8.310 nan 0.000 0.484 43 P HA 0.058 nan 4.420 nan 0.000 0.228 43 P C -0.318 176.978 177.300 -0.008 0.000 1.151 43 P CA 0.611 63.698 63.100 -0.021 0.000 0.770 43 P CB 0.058 31.740 31.700 -0.029 0.000 0.786 44 L N 0.142 121.369 121.223 0.006 0.000 2.333 44 L HA 0.482 4.822 4.340 -0.000 0.000 0.280 44 L C -0.069 176.820 176.870 0.032 0.000 1.004 44 L CA -0.680 54.170 54.840 0.017 0.000 0.820 44 L CB 1.921 43.992 42.059 0.020 0.000 1.247 44 L HN -0.199 nan 8.230 nan 0.000 0.416 45 L N 3.415 124.656 121.223 0.031 0.000 2.415 45 L HA 0.598 4.938 4.340 -0.000 0.000 0.256 45 L C -2.357 174.536 176.870 0.040 0.000 1.010 45 L CA -1.859 53.008 54.840 0.044 0.000 0.826 45 L CB 2.787 44.867 42.059 0.035 0.000 1.405 45 L HN 0.330 nan 8.230 nan 0.000 0.410 46 P HA 0.222 nan 4.420 nan 0.000 0.269 46 P C -1.291 176.062 177.300 0.088 0.000 1.217 46 P CA -0.244 62.896 63.100 0.067 0.000 0.783 46 P CB 0.626 32.361 31.700 0.058 0.000 0.898 47 A N 1.455 124.358 122.820 0.137 0.000 2.569 47 A HA 0.441 4.761 4.320 -0.000 0.000 0.282 47 A C -1.263 176.489 177.584 0.280 0.000 1.165 47 A CA -0.479 51.680 52.037 0.203 0.000 0.747 47 A CB 0.491 19.640 19.000 0.248 0.000 1.215 47 A HN 0.358 nan 8.150 nan 0.000 0.431 48 D N 0.937 121.387 120.400 0.084 0.000 2.375 48 D HA 0.569 5.209 4.640 -0.000 0.000 0.247 48 D C -1.102 174.998 176.300 -0.333 0.000 1.061 48 D CA 0.040 53.983 54.000 -0.096 0.000 0.834 48 D CB 1.984 42.763 40.800 -0.035 0.000 1.247 48 D HN 0.490 nan 8.370 nan 0.000 0.489 49 C N 2.381 121.219 119.300 -0.770 0.000 2.782 49 C HA 0.454 4.914 4.460 -0.000 0.000 0.328 49 C C -1.785 172.923 174.990 -0.471 0.000 1.145 49 C CA -0.532 58.113 59.018 -0.622 0.000 1.358 49 C CB 1.317 28.611 27.740 -0.745 0.000 1.841 49 C HN 0.518 nan 8.230 nan 0.000 0.477 50 D N 3.561 123.836 120.400 -0.208 0.000 2.498 50 D HA 0.630 5.270 4.640 -0.000 0.000 0.247 50 D C -0.923 175.317 176.300 -0.099 0.000 1.070 50 D CA -0.024 53.901 54.000 -0.126 0.000 0.842 50 D CB 2.372 43.122 40.800 -0.085 0.000 1.361 50 D HN 0.430 nan 8.370 nan 0.000 0.484 51 V N 1.851 121.695 119.914 -0.116 0.000 2.656 51 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 51 V C -0.196 175.776 176.094 -0.202 0.000 1.051 51 V CA -0.844 61.307 62.300 -0.248 0.000 0.893 51 V CB 2.546 34.208 31.823 -0.267 0.000 0.999 51 V HN 0.403 nan 8.190 nan 0.000 0.426 52 K N 4.916 125.160 120.400 -0.260 0.000 2.507 52 K HA 0.738 5.058 4.320 -0.000 0.000 0.252 52 K C -1.936 174.562 176.600 -0.170 0.000 0.943 52 K CA -0.582 55.613 56.287 -0.153 0.000 0.808 52 K CB 1.493 33.934 32.500 -0.098 0.000 1.142 52 K HN 0.677 nan 8.250 nan 0.000 0.426 53 L N 3.663 124.820 121.223 -0.110 0.000 2.365 53 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 53 L C -0.406 176.453 176.870 -0.019 0.000 1.000 53 L CA -1.008 53.785 54.840 -0.078 0.000 0.819 53 L CB 1.891 43.896 42.059 -0.090 0.000 1.284 53 L HN 0.651 nan 8.230 nan 0.000 0.418 54 N N 1.587 120.290 118.700 0.006 0.000 2.312 54 N HA 0.702 5.442 4.740 -0.000 0.000 0.296 54 N C -1.671 173.872 175.510 0.056 0.000 1.193 54 N CA -0.508 52.567 53.050 0.041 0.000 0.773 54 N CB 3.554 42.066 38.487 0.042 0.000 1.435 54 N HN 0.258 nan 8.380 nan 0.000 0.484 55 V N 1.218 121.180 119.914 0.080 0.000 2.817 55 V HA 0.438 4.558 4.120 -0.000 0.000 0.303 55 V C -1.699 174.464 176.094 0.115 0.000 1.151 55 V CA -0.534 61.822 62.300 0.093 0.000 0.929 55 V CB 2.062 33.936 31.823 0.085 0.000 1.030 55 V HN 0.635 nan 8.190 nan 0.000 0.427 56 K N 6.559 127.025 120.400 0.110 0.000 2.375 56 K HA 0.714 5.034 4.320 -0.000 0.000 0.249 56 K C -2.932 173.735 176.600 0.112 0.000 0.942 56 K CA -1.938 54.415 56.287 0.110 0.000 0.806 56 K CB 2.291 34.841 32.500 0.083 0.000 1.227 56 K HN 0.402 nan 8.250 nan 0.000 0.430 57 P HA 0.031 nan 4.420 nan 0.000 0.271 57 P C -0.474 176.882 177.300 0.093 0.000 1.220 57 P CA -0.278 62.882 63.100 0.101 0.000 0.768 57 P CB 0.756 32.508 31.700 0.088 0.000 0.848 58 L N 3.240 124.532 121.223 0.115 0.000 2.356 58 L HA 0.399 4.739 4.340 -0.000 0.000 0.193 58 L C 0.095 177.022 176.870 0.096 0.000 1.087 58 L CA 1.511 56.408 54.840 0.095 0.000 0.817 58 L CB -0.084 42.035 42.059 0.100 0.000 1.035 58 L HN 0.187 nan 8.230 nan 0.000 0.482 59 D N 0.984 121.476 120.400 0.153 0.000 2.405 59 D HA 0.282 4.922 4.640 -0.000 0.000 0.264 59 D C -2.658 173.720 176.300 0.130 0.000 1.240 59 D CA -1.957 52.127 54.000 0.139 0.000 0.893 59 D CB 1.044 41.944 40.800 0.165 0.000 1.198 59 D HN 0.056 nan 8.370 nan 0.000 0.514 60 P HA 0.307 nan 4.420 nan 0.000 0.276 60 P C 0.197 177.526 177.300 0.047 0.000 1.253 60 P CA 0.139 63.271 63.100 0.054 0.000 0.766 60 P CB 1.650 33.375 31.700 0.041 0.000 0.845 61 A N 3.717 126.561 122.820 0.039 0.000 3.444 61 A HA -0.115 4.205 4.320 -0.000 0.000 0.195 61 A C 1.352 178.960 177.584 0.040 0.000 0.793 61 A CA 0.485 52.543 52.037 0.035 0.000 2.271 61 A CB -1.817 17.207 19.000 0.040 0.000 0.456 61 A HN 0.480 nan 8.150 nan 0.000 0.577 62 K N -0.402 120.040 120.400 0.070 0.000 2.374 62 K HA 0.410 4.730 4.320 -0.000 0.000 0.202 62 K C 1.151 177.732 176.600 -0.032 0.000 1.040 62 K CA 1.021 57.351 56.287 0.072 0.000 1.085 62 K CB 0.364 32.987 32.500 0.205 0.000 0.873 62 K HN 1.732 nan 8.250 nan 0.000 0.539 63 G N 0.965 109.761 108.800 -0.006 0.000 2.159 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 63 G C -0.062 174.812 174.900 -0.043 0.000 0.977 63 G CA -0.080 44.982 45.100 -0.064 0.000 0.652 63 G HN 0.237 nan 8.290 nan 0.000 0.531 64 F N 0.065 120.059 119.950 0.073 0.000 2.429 64 F HA 0.539 5.066 4.527 -0.000 0.000 0.348 64 F C 0.836 176.693 175.800 0.095 0.000 1.109 64 F CA -0.287 57.768 58.000 0.092 0.000 1.232 64 F CB 1.450 40.484 39.000 0.057 0.000 1.157 64 F HN -0.006 nan 8.300 nan 0.000 0.564 65 V N 3.672 123.827 119.914 0.403 0.000 2.823 65 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 65 V C -0.801 175.444 176.094 0.252 0.000 1.072 65 V CA -1.020 61.447 62.300 0.280 0.000 0.937 65 V CB 2.280 34.285 31.823 0.303 0.000 1.013 65 V HN 0.592 nan 8.190 nan 0.000 0.430 66 R N 3.543 124.142 120.500 0.165 0.000 2.310 66 R HA 0.663 5.003 4.340 -0.000 0.000 0.324 66 R C -1.250 175.116 176.300 0.111 0.000 0.955 66 R CA -0.188 55.981 56.100 0.116 0.000 0.830 66 R CB 1.103 31.444 30.300 0.069 0.000 1.154 66 R HN 0.773 nan 8.270 nan 0.000 0.458 67 I N 3.510 124.150 120.570 0.116 0.000 2.474 67 I HA 0.515 4.685 4.170 -0.000 0.000 0.294 67 I C -1.042 175.130 176.117 0.092 0.000 1.005 67 I CA -0.426 60.937 61.300 0.105 0.000 1.113 67 I CB 1.872 39.944 38.000 0.120 0.000 1.289 67 I HN 0.870 nan 8.210 nan 0.000 0.436 68 S N 5.818 121.559 115.700 0.067 0.000 2.536 68 S HA 0.924 5.393 4.470 -0.000 0.000 0.298 68 S C -0.763 173.855 174.600 0.029 0.000 1.083 68 S CA -0.797 57.437 58.200 0.057 0.000 0.995 68 S CB 1.968 65.189 63.200 0.036 0.000 1.058 68 S HN 0.829 nan 8.310 nan 0.000 0.488 69 A N 1.445 124.288 122.820 0.039 0.000 2.381 69 A HA 0.723 5.043 4.320 -0.000 0.000 0.299 69 A C -1.212 176.337 177.584 -0.059 0.000 1.049 69 A CA -0.741 51.266 52.037 -0.050 0.000 0.715 69 A CB 1.329 20.374 19.000 0.074 0.000 1.222 69 A HN 0.830 nan 8.150 nan 0.000 0.428 70 V N 3.001 122.787 119.914 -0.213 0.000 2.376 70 V HA 0.447 4.566 4.120 -0.000 0.000 0.287 70 V C -1.216 174.711 176.094 -0.278 0.000 1.015 70 V CA -0.204 62.023 62.300 -0.123 0.000 0.834 70 V CB 0.640 32.426 31.823 -0.062 0.000 1.001 70 V HN 0.700 nan 8.190 nan 0.000 0.428 71 F N 2.879 122.848 119.950 0.032 0.000 2.404 71 F HA 0.581 5.108 4.527 -0.000 0.000 0.354 71 F C 0.674 176.478 175.800 0.007 0.000 1.122 71 F CA -0.379 57.633 58.000 0.021 0.000 1.080 71 F CB 1.292 40.315 39.000 0.039 0.000 1.131 71 F HN 0.411 nan 8.300 nan 0.000 0.471 72 E N 1.942 122.217 120.200 0.125 0.000 2.272 72 E HA 0.628 4.978 4.350 -0.000 0.000 0.269 72 E C -1.131 175.483 176.600 0.022 0.000 0.877 72 E CA -0.753 55.685 56.400 0.062 0.000 0.755 72 E CB 2.455 32.164 29.700 0.015 0.000 1.192 72 E HN 0.633 nan 8.360 nan 0.000 0.422 73 S N 2.024 117.737 115.700 0.021 0.000 2.625 73 S HA 0.674 5.144 4.470 -0.000 0.000 0.271 73 S C -0.853 173.749 174.600 0.004 0.000 1.161 73 S CA -0.865 57.326 58.200 -0.015 0.000 0.820 73 S CB 1.156 64.357 63.200 0.001 0.000 1.137 73 S HN 0.407 nan 8.310 nan 0.000 0.470 74 I N 1.364 121.933 120.570 -0.002 0.000 2.478 74 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 74 I C -1.397 174.742 176.117 0.037 0.000 1.042 74 I CA -0.971 60.340 61.300 0.019 0.000 1.067 74 I CB 2.101 40.109 38.000 0.014 0.000 1.233 74 I HN 0.453 nan 8.210 nan 0.000 0.431 75 V N 5.311 125.251 119.914 0.044 0.000 2.407 75 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 75 V C 0.289 176.409 176.094 0.043 0.000 1.018 75 V CA -0.114 62.219 62.300 0.054 0.000 0.842 75 V CB 1.254 33.113 31.823 0.059 0.000 0.996 75 V HN 0.978 nan 8.190 nan 0.000 0.426 76 D N 4.236 124.661 120.400 0.043 0.000 4.529 76 D HA -0.262 4.378 4.640 -0.000 0.000 0.151 76 D C 1.497 177.816 176.300 0.031 0.000 0.685 76 D CA 2.430 56.450 54.000 0.033 0.000 1.198 76 D CB -1.089 39.727 40.800 0.027 0.000 0.658 76 D HN 0.849 nan 8.370 nan 0.000 0.542 77 S N -1.835 113.881 115.700 0.028 0.000 2.632 77 S HA 0.334 4.804 4.470 -0.000 0.000 0.237 77 S C 0.263 174.880 174.600 0.029 0.000 1.037 77 S CA 0.487 58.703 58.200 0.027 0.000 1.009 77 S CB 0.525 63.739 63.200 0.023 0.000 0.974 77 S HN 0.445 nan 8.310 nan 0.000 0.544 78 T N 3.233 117.806 114.554 0.032 0.000 2.799 78 T HA 0.268 4.618 4.350 -0.000 0.000 0.296 78 T C -0.289 174.434 174.700 0.038 0.000 0.947 78 T CA 0.055 62.177 62.100 0.036 0.000 1.141 78 T CB 0.696 69.587 68.868 0.038 0.000 0.891 78 T HN 0.239 nan 8.240 nan 0.000 0.533 79 K N 4.105 124.529 120.400 0.040 0.000 2.312 79 K HA 0.204 4.524 4.320 -0.000 0.000 0.287 79 K C -0.111 176.518 176.600 0.049 0.000 1.062 79 K CA -0.462 55.848 56.287 0.038 0.000 0.934 79 K CB 0.293 32.813 32.500 0.033 0.000 1.027 79 K HN 0.526 nan 8.250 nan 0.000 0.478 80 N N 3.621 122.350 118.700 0.048 0.000 2.272 80 N HA 0.363 5.103 4.740 -0.000 0.000 0.305 80 N C -1.327 174.221 175.510 0.064 0.000 1.103 80 N CA -0.748 52.338 53.050 0.060 0.000 0.791 80 N CB 2.097 40.620 38.487 0.061 0.000 1.356 80 N HN 0.420 nan 8.380 nan 0.000 0.486 81 K N 1.199 121.642 120.400 0.072 0.000 2.523 81 K HA 0.586 4.906 4.320 -0.000 0.000 0.257 81 K C -1.984 174.677 176.600 0.102 0.000 0.932 81 K CA -0.643 55.695 56.287 0.085 0.000 0.812 81 K CB 2.046 34.579 32.500 0.055 0.000 1.326 81 K HN 0.540 nan 8.250 nan 0.000 0.433 82 L N 2.854 124.175 121.223 0.164 0.000 2.543 82 L HA 0.536 4.875 4.340 -0.000 0.000 0.265 82 L C -1.351 175.684 176.870 0.275 0.000 0.945 82 L CA -0.071 54.891 54.840 0.203 0.000 0.869 82 L CB 2.205 44.368 42.059 0.173 0.000 1.294 82 L HN 0.908 nan 8.230 nan 0.000 0.405 83 T N 2.652 117.329 114.554 0.205 0.000 2.916 83 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 83 T C -0.864 173.952 174.700 0.194 0.000 1.055 83 T CA -0.680 61.526 62.100 0.176 0.000 1.009 83 T CB 1.908 70.817 68.868 0.067 0.000 1.118 83 T HN 0.691 nan 8.240 nan 0.000 0.497 84 I N 1.471 122.157 120.570 0.194 0.000 2.667 84 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 84 I C -1.474 174.743 176.117 0.166 0.000 1.267 84 I CA -0.558 60.874 61.300 0.220 0.000 1.055 84 I CB 1.710 39.942 38.000 0.386 0.000 1.294 84 I HN 1.066 nan 8.210 nan 0.000 0.429 85 E N 7.665 127.934 120.200 0.115 0.000 2.266 85 E HA 0.892 5.242 4.350 -0.000 0.000 0.268 85 E C -1.791 174.870 176.600 0.102 0.000 0.879 85 E CA -0.786 55.672 56.400 0.096 0.000 0.762 85 E CB 2.337 32.060 29.700 0.038 0.000 1.199 85 E HN 0.702 nan 8.360 nan 0.000 0.422 86 A N 3.151 126.037 122.820 0.109 0.000 2.549 86 A HA 0.468 4.788 4.320 -0.000 0.000 0.297 86 A C -1.607 176.018 177.584 0.069 0.000 1.061 86 A CA -0.985 51.098 52.037 0.077 0.000 0.690 86 A CB 1.651 20.802 19.000 0.252 0.000 1.287 86 A HN 0.686 nan 8.150 nan 0.000 0.402 87 D N 1.221 121.631 120.400 0.016 0.000 2.232 87 D HA 0.632 5.272 4.640 -0.000 0.000 0.242 87 D C -0.613 175.862 176.300 0.292 0.000 1.093 87 D CA 0.534 54.594 54.000 0.099 0.000 0.845 87 D CB 1.282 42.002 40.800 -0.133 0.000 1.124 87 D HN 0.428 nan 8.370 nan 0.000 0.467 88 I N 1.040 121.861 120.570 0.418 0.000 2.686 88 I HA 0.674 4.844 4.170 -0.000 0.000 0.295 88 I C -0.613 175.550 176.117 0.076 0.000 1.114 88 I CA -0.814 60.613 61.300 0.211 0.000 1.038 88 I CB 2.190 40.159 38.000 -0.051 0.000 1.238 88 I HN 0.336 nan 8.210 nan 0.000 0.420 89 A N 3.968 126.632 122.820 -0.261 0.000 2.574 89 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 89 A C -1.389 176.078 177.584 -0.194 0.000 1.062 89 A CA -0.787 51.033 52.037 -0.362 0.000 0.686 89 A CB 1.382 19.612 19.000 -1.284 0.000 1.285 89 A HN 0.621 nan 8.150 nan 0.000 0.403 90 N N 1.338 120.052 118.700 0.024 0.000 2.452 90 N HA 0.083 4.823 4.740 -0.000 0.000 0.266 90 N C 0.719 176.196 175.510 -0.055 0.000 1.209 90 N CA 0.347 53.408 53.050 0.018 0.000 0.929 90 N CB 1.710 40.242 38.487 0.075 0.000 1.063 90 N HN 0.891 nan 8.380 nan 0.000 0.472 91 E N 1.331 121.515 120.200 -0.026 0.000 2.045 91 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 91 E C 0.569 177.173 176.600 0.007 0.000 0.968 91 E CA 0.781 57.167 56.400 -0.023 0.000 0.813 91 E CB 0.334 30.029 29.700 -0.009 0.000 0.780 91 E HN 0.728 nan 8.360 nan 0.000 0.455 92 T N -2.442 112.133 114.554 0.036 0.000 2.678 92 T HA 0.335 4.685 4.350 -0.000 0.000 0.260 92 T C 0.758 175.513 174.700 0.091 0.000 0.932 92 T CA -0.641 61.486 62.100 0.045 0.000 1.043 92 T CB 0.842 69.727 68.868 0.027 0.000 1.413 92 T HN -0.138 nan 8.240 nan 0.000 0.568 93 K N 0.805 121.259 120.400 0.091 0.000 2.155 93 K HA 0.045 4.365 4.320 -0.000 0.000 0.203 93 K C 2.097 178.845 176.600 0.246 0.000 1.052 93 K CA 1.474 57.845 56.287 0.139 0.000 0.948 93 K CB 0.056 32.613 32.500 0.096 0.000 0.728 93 K HN 0.719 nan 8.250 nan 0.000 0.448 94 E N -0.794 119.483 120.200 0.129 0.000 2.434 94 E HA -0.014 4.336 4.350 -0.000 0.000 0.207 94 E C 0.224 176.847 176.600 0.038 0.000 0.929 94 E CA -0.043 56.359 56.400 0.004 0.000 1.001 94 E CB 0.106 29.668 29.700 -0.230 0.000 1.016 94 E HN 0.014 nan 8.360 nan 0.000 0.502 95 R N 1.282 121.834 120.500 0.085 0.000 2.265 95 R HA 0.380 4.720 4.340 -0.000 0.000 0.319 95 R C -0.603 175.793 176.300 0.159 0.000 1.006 95 R CA -0.422 55.722 56.100 0.074 0.000 0.880 95 R CB 1.079 31.382 30.300 0.004 0.000 1.077 95 R HN -0.065 nan 8.270 nan 0.000 0.454 96 R N 5.688 126.301 120.500 0.188 0.000 2.673 96 R HA 0.408 4.748 4.340 -0.000 0.000 0.281 96 R C -0.819 175.503 176.300 0.037 0.000 0.991 96 R CA -0.814 55.348 56.100 0.104 0.000 0.896 96 R CB 1.251 31.626 30.300 0.125 0.000 1.201 96 R HN 0.700 nan 8.270 nan 0.000 0.457 97 I N 0.002 120.563 120.570 -0.014 0.000 2.846 97 I HA 0.671 4.841 4.170 -0.000 0.000 0.307 97 I C -1.151 175.014 176.117 0.079 0.000 1.053 97 I CA -0.625 60.698 61.300 0.039 0.000 1.050 97 I CB 2.121 40.162 38.000 0.068 0.000 1.239 97 I HN 0.743 nan 8.210 nan 0.000 0.439 98 S N 3.657 119.442 115.700 0.141 0.000 2.546 98 S HA 0.763 5.233 4.470 -0.000 0.000 0.272 98 S C -0.669 173.953 174.600 0.036 0.000 1.140 98 S CA -0.610 57.691 58.200 0.168 0.000 0.920 98 S CB 1.449 64.835 63.200 0.310 0.000 1.083 98 S HN 1.405 nan 8.310 nan 0.000 0.476 99 V N -0.449 119.390 119.914 -0.125 0.000 2.735 99 V HA 1.068 5.188 4.120 -0.000 0.000 0.310 99 V C -0.011 175.710 176.094 -0.621 0.000 1.061 99 V CA 0.400 62.466 62.300 -0.390 0.000 0.913 99 V CB 1.216 32.916 31.823 -0.206 0.000 1.005 99 V HN 1.675 nan 8.190 nan 0.000 0.428 100 G N 3.589 111.785 108.800 -1.006 0.000 2.489 100 G HA2 0.754 4.714 3.960 -0.000 0.000 0.305 100 G HA3 0.754 4.714 3.960 -0.000 0.000 0.305 100 G C -1.379 173.292 174.900 -0.382 0.000 1.311 100 G CA -0.095 44.560 45.100 -0.742 0.000 0.813 100 G HN 1.531 nan 8.290 nan 0.000 0.480 101 E N -1.987 118.190 120.200 -0.037 0.000 2.409 101 E HA 0.687 5.037 4.350 -0.000 0.000 0.280 101 E C -0.276 176.113 176.600 -0.352 0.000 1.079 101 E CA -0.681 55.635 56.400 -0.140 0.000 0.840 101 E CB 1.513 31.117 29.700 -0.160 0.000 1.309 101 E HN 1.791 nan 8.360 nan 0.000 0.447 102 G N -0.069 108.185 108.800 -0.909 0.000 2.428 102 G HA2 0.541 4.501 3.960 -0.000 0.000 0.305 102 G HA3 0.541 4.501 3.960 -0.000 0.000 0.305 102 G C -1.666 172.742 174.900 -0.820 0.000 1.260 102 G CA -0.348 44.250 45.100 -0.835 0.000 0.853 102 G HN 0.811 nan 8.290 nan 0.000 0.480 103 M N -1.203 118.204 119.600 -0.321 0.000 2.520 103 M HA 0.850 5.330 4.480 -0.000 0.000 0.280 103 M C -1.553 174.795 176.300 0.079 0.000 1.232 103 M CA -1.089 54.152 55.300 -0.097 0.000 0.892 103 M CB 1.598 34.134 32.600 -0.106 0.000 1.728 103 M HN 1.143 nan 8.290 nan 0.000 0.475 104 V N 1.317 121.203 119.914 -0.047 0.000 2.864 104 V HA 0.994 5.114 4.120 -0.000 0.000 0.314 104 V C -1.232 174.808 176.094 -0.090 0.000 1.073 104 V CA 0.411 62.683 62.300 -0.047 0.000 0.956 104 V CB 2.301 34.077 31.823 -0.079 0.000 1.023 104 V HN 1.372 nan 8.190 nan 0.000 0.435 105 S N 4.383 120.084 115.700 0.002 0.000 2.536 105 S HA 0.819 5.289 4.470 -0.000 0.000 0.271 105 S C -1.705 172.956 174.600 0.101 0.000 1.134 105 S CA -0.555 57.657 58.200 0.019 0.000 0.897 105 S CB 1.869 65.061 63.200 -0.014 0.000 1.094 105 S HN 1.001 nan 8.310 nan 0.000 0.473 106 V N 3.224 123.241 119.914 0.171 0.000 2.532 106 V HA 0.741 4.861 4.120 -0.000 0.000 0.294 106 V C 1.216 177.404 176.094 0.156 0.000 1.036 106 V CA 0.227 62.622 62.300 0.158 0.000 0.876 106 V CB 0.444 32.374 31.823 0.178 0.000 1.012 106 V HN 1.801 nan 8.190 nan 0.000 0.432 107 G N 5.354 114.215 108.800 0.101 0.000 2.622 107 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.307 107 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.307 107 G C 0.631 175.590 174.900 0.097 0.000 1.226 107 G CA 1.100 46.253 45.100 0.088 0.000 0.997 107 G HN 1.082 nan 8.290 nan 0.000 0.551 108 D N 0.138 120.605 120.400 0.112 0.000 2.348 108 D HA 0.211 4.851 4.640 -0.000 0.000 0.216 108 D C 0.934 177.326 176.300 0.154 0.000 0.970 108 D CA 0.791 54.856 54.000 0.108 0.000 0.889 108 D CB -0.053 40.806 40.800 0.097 0.000 0.912 108 D HN 0.384 nan 8.370 nan 0.000 0.524 109 F N 1.766 121.741 119.950 0.042 0.000 2.394 109 F HA 0.467 4.993 4.527 -0.000 0.000 0.340 109 F C -0.149 175.687 175.800 0.060 0.000 1.105 109 F CA -0.870 57.165 58.000 0.057 0.000 1.124 109 F CB 1.269 40.310 39.000 0.068 0.000 1.145 109 F HN -0.031 nan 8.300 nan 0.000 0.505 110 S N 4.184 119.394 115.700 -0.818 0.000 2.564 110 S HA 0.704 5.174 4.470 -0.000 0.000 0.274 110 S C -1.301 172.771 174.600 -0.880 0.000 1.124 110 S CA -0.707 57.071 58.200 -0.702 0.000 0.869 110 S CB 1.777 64.807 63.200 -0.284 0.000 1.105 110 S HN 0.984 nan 8.310 nan 0.000 0.472 111 H N -1.137 117.628 119.070 -0.508 0.000 2.907 111 H HA 0.858 5.414 4.556 -0.000 0.000 0.361 111 H C -0.102 175.232 175.328 0.010 0.000 1.194 111 H CA -0.470 55.459 56.048 -0.197 0.000 1.152 111 H CB 1.128 30.860 29.762 -0.049 0.000 1.867 111 H HN 0.827 nan 8.280 nan 0.000 0.561 112 T N -0.962 113.703 114.554 0.184 0.000 2.889 112 T HA 0.686 5.036 4.350 -0.000 0.000 0.278 112 T C -0.662 174.299 174.700 0.434 0.000 0.995 112 T CA -0.617 61.559 62.100 0.126 0.000 0.966 112 T CB 1.164 70.031 68.868 -0.002 0.000 1.237 112 T HN 0.825 nan 8.240 nan 0.000 0.591 113 F N -1.797 118.247 119.950 0.156 0.000 2.725 113 F HA 0.699 5.226 4.527 -0.000 0.000 0.309 113 F C -0.849 175.064 175.800 0.189 0.000 1.132 113 F CA -1.067 57.052 58.000 0.198 0.000 0.957 113 F CB 0.983 40.136 39.000 0.256 0.000 1.286 113 F HN 0.902 nan 8.300 nan 0.000 0.440 114 S N 1.971 117.881 115.700 0.350 0.000 2.599 114 S HA 0.949 5.419 4.470 -0.000 0.000 0.294 114 S C -1.234 173.638 174.600 0.454 0.000 1.094 114 S CA -0.594 57.769 58.200 0.272 0.000 0.931 114 S CB 2.301 65.553 63.200 0.087 0.000 1.093 114 S HN 1.564 nan 8.310 nan 0.000 0.488 115 F N -1.024 119.052 119.950 0.210 0.000 2.645 115 F HA 0.844 5.371 4.527 -0.000 0.000 0.310 115 F C -1.270 174.612 175.800 0.137 0.000 1.102 115 F CA -0.931 57.189 58.000 0.199 0.000 0.952 115 F CB 1.199 40.351 39.000 0.255 0.000 1.326 115 F HN 0.635 nan 8.300 nan 0.000 0.456 116 E N 0.652 121.007 120.200 0.259 0.000 2.248 116 E HA 0.676 5.026 4.350 -0.000 0.000 0.267 116 E C -1.005 175.790 176.600 0.325 0.000 0.877 116 E CA -1.398 55.098 56.400 0.160 0.000 0.759 116 E CB 2.488 32.238 29.700 0.084 0.000 1.182 116 E HN 1.076 nan 8.360 nan 0.000 0.418 117 G N 0.727 109.711 108.800 0.307 0.000 2.731 117 G HA2 0.455 4.415 3.960 -0.000 0.000 0.298 117 G HA3 0.455 4.415 3.960 -0.000 0.000 0.298 117 G C -0.886 174.088 174.900 0.123 0.000 1.424 117 G CA -0.609 44.630 45.100 0.231 0.000 1.029 117 G HN 0.403 nan 8.290 nan 0.000 0.518 118 S N -0.339 115.383 115.700 0.038 0.000 2.621 118 S HA 0.854 5.324 4.470 -0.000 0.000 0.302 118 S C -0.755 173.781 174.600 -0.107 0.000 1.093 118 S CA -0.782 57.413 58.200 -0.007 0.000 1.017 118 S CB 2.194 65.389 63.200 -0.008 0.000 1.077 118 S HN 0.978 nan 8.310 nan 0.000 0.517 119 V N 1.811 121.660 119.914 -0.108 0.000 2.668 119 V HA 0.453 4.573 4.120 -0.000 0.000 0.304 119 V C -1.069 174.912 176.094 -0.190 0.000 1.071 119 V CA -0.703 61.448 62.300 -0.249 0.000 0.894 119 V CB 1.909 33.568 31.823 -0.273 0.000 1.008 119 V HN 0.863 nan 8.190 nan 0.000 0.425 120 V N 3.793 123.550 119.914 -0.262 0.000 2.334 120 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 120 V C -0.075 175.724 176.094 -0.493 0.000 1.016 120 V CA -0.637 61.490 62.300 -0.288 0.000 0.832 120 V CB 1.502 33.226 31.823 -0.165 0.000 0.999 120 V HN 0.897 nan 8.190 nan 0.000 0.439 121 N N 5.057 123.162 118.700 -0.991 0.000 2.439 121 N HA 0.533 5.273 4.740 -0.000 0.000 0.249 121 N C -1.029 173.975 175.510 -0.843 0.000 1.003 121 N CA -0.273 52.064 53.050 -1.189 0.000 0.942 121 N CB 0.660 37.804 38.487 -2.238 0.000 1.115 121 N HN 0.638 nan 8.380 nan 0.000 0.505 122 L N 4.111 124.973 121.223 -0.601 0.000 2.305 122 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 122 L C -0.466 176.075 176.870 -0.548 0.000 1.013 122 L CA -0.877 53.677 54.840 -0.476 0.000 0.819 122 L CB 0.971 42.908 42.059 -0.203 0.000 1.227 122 L HN 0.421 nan 8.230 nan 0.000 0.417 123 F N 1.457 121.248 119.950 -0.265 0.000 2.443 123 F HA 0.109 4.636 4.527 -0.000 0.000 0.353 123 F C 0.909 176.588 175.800 -0.202 0.000 1.101 123 F CA -0.320 57.525 58.000 -0.259 0.000 1.226 123 F CB 0.672 39.533 39.000 -0.231 0.000 1.140 123 F HN 0.399 nan 8.300 nan 0.000 0.557 124 Y N 1.498 121.910 120.300 0.186 0.000 2.352 124 Y HA -0.145 4.405 4.550 -0.000 0.000 0.292 124 Y C 0.134 176.169 175.900 0.224 0.000 1.136 124 Y CA 0.690 58.894 58.100 0.173 0.000 1.227 124 Y CB -0.595 37.972 38.460 0.180 0.000 0.991 124 Y HN 0.492 nan 8.280 nan 0.000 0.545 125 Y N -2.681 117.758 120.300 0.233 0.000 2.597 125 Y HA 0.687 5.237 4.550 -0.000 0.000 0.340 125 Y C -0.600 175.361 175.900 0.101 0.000 1.097 125 Y CA -2.318 55.866 58.100 0.140 0.000 1.037 125 Y CB 1.059 39.581 38.460 0.103 0.000 1.305 125 Y HN -0.229 nan 8.280 nan 0.000 0.463 126 R N 1.864 122.426 120.500 0.103 0.000 2.718 126 R HA 0.260 4.600 4.340 -0.000 0.000 0.307 126 R C -0.638 175.748 176.300 0.142 0.000 1.244 126 R CA -0.458 55.633 56.100 -0.015 0.000 1.348 126 R CB 1.194 31.499 30.300 0.008 0.000 1.304 126 R HN 0.650 nan 8.270 nan 0.000 0.663 127 S N 0.751 116.664 115.700 0.354 0.000 2.537 127 S HA -0.059 4.411 4.470 -0.000 0.000 0.286 127 S C 1.019 175.701 174.600 0.137 0.000 1.299 127 S CA -0.083 58.253 58.200 0.227 0.000 1.067 127 S CB 0.539 63.861 63.200 0.204 0.000 0.864 127 S HN 0.375 nan 8.310 nan 0.000 0.494 128 D N 3.543 123.993 120.400 0.083 0.000 2.317 128 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 128 D C 1.700 178.027 176.300 0.045 0.000 0.966 128 D CA 0.780 54.812 54.000 0.052 0.000 0.876 128 D CB 0.137 40.960 40.800 0.038 0.000 0.927 128 D HN 0.655 nan 8.370 nan 0.000 0.519 129 A N 0.097 122.946 122.820 0.048 0.000 2.014 129 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 129 A C 2.387 179.993 177.584 0.036 0.000 1.163 129 A CA 0.590 52.645 52.037 0.031 0.000 0.652 129 A CB -0.240 18.771 19.000 0.019 0.000 0.808 129 A HN 0.160 nan 8.150 nan 0.000 0.449 130 V N -0.003 119.951 119.914 0.068 0.000 2.255 130 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 130 V C 2.538 178.664 176.094 0.053 0.000 1.038 130 V CA 1.887 64.236 62.300 0.080 0.000 1.008 130 V CB -0.847 31.087 31.823 0.184 0.000 0.645 130 V HN 0.494 nan 8.190 nan 0.000 0.449 131 R N 0.670 121.199 120.500 0.049 0.000 2.113 131 R HA -0.245 4.094 4.340 -0.000 0.000 0.244 131 R C 2.438 178.744 176.300 0.010 0.000 1.142 131 R CA 2.356 58.467 56.100 0.018 0.000 0.953 131 R CB -0.470 29.838 30.300 0.013 0.000 0.860 131 R HN 0.655 nan 8.270 nan 0.000 0.438 132 R N -0.350 120.158 120.500 0.013 0.000 2.240 132 R HA 0.086 4.426 4.340 -0.000 0.000 0.203 132 R C 1.169 177.470 176.300 0.002 0.000 1.011 132 R CA 0.937 57.041 56.100 0.006 0.000 1.007 132 R CB -0.046 30.258 30.300 0.007 0.000 0.911 132 R HN 0.186 nan 8.270 nan 0.000 0.468 133 N N 0.612 119.316 118.700 0.006 0.000 2.282 133 N HA 0.084 4.824 4.740 -0.000 0.000 0.185 133 N C -0.640 174.870 175.510 -0.000 0.000 1.099 133 N CA 0.276 53.327 53.050 0.002 0.000 0.878 133 N CB 1.407 39.897 38.487 0.005 0.000 0.993 133 N HN -0.039 nan 8.380 nan 0.000 0.481 134 V N 3.849 123.764 119.914 0.001 0.000 2.325 134 V HA 0.205 4.325 4.120 -0.000 0.000 0.280 134 V C -1.411 174.675 176.094 -0.013 0.000 1.016 134 V CA -1.118 61.179 62.300 -0.004 0.000 0.818 134 V CB 2.269 34.095 31.823 0.005 0.000 1.019 134 V HN -0.027 nan 8.190 nan 0.000 0.434 135 P HA -0.064 nan 4.420 nan 0.000 0.217 135 P C 0.481 177.764 177.300 -0.028 0.000 1.150 135 P CA 1.064 64.149 63.100 -0.025 0.000 0.832 135 P CB 0.422 32.103 31.700 -0.032 0.000 0.787 136 N N 0.137 118.819 118.700 -0.030 0.000 2.844 136 N HA 0.229 4.969 4.740 -0.000 0.000 0.268 136 N C -2.675 172.810 175.510 -0.041 0.000 1.574 136 N CA -2.190 50.840 53.050 -0.033 0.000 0.838 136 N CB 0.267 38.736 38.487 -0.031 0.000 1.177 136 N HN -0.029 nan 8.380 nan 0.000 0.495 137 P HA 0.222 nan 4.420 nan 0.000 0.275 137 P C 0.370 177.629 177.300 -0.068 0.000 1.228 137 P CA -0.369 62.703 63.100 -0.048 0.000 0.786 137 P CB 1.637 33.318 31.700 -0.032 0.000 0.927 138 I N -0.195 120.307 120.570 -0.114 0.000 3.818 138 I HA 0.059 4.229 4.170 -0.000 0.000 0.242 138 I C 0.558 176.643 176.117 -0.053 0.000 1.111 138 I CA 0.282 61.491 61.300 -0.153 0.000 1.576 138 I CB -1.303 36.496 38.000 -0.334 0.000 1.572 138 I HN 0.147 nan 8.210 nan 0.000 0.450 139 Y N 3.046 123.370 120.300 0.040 0.000 2.729 139 Y HA 0.161 4.711 4.550 -0.000 0.000 0.331 139 Y C 0.473 176.395 175.900 0.037 0.000 1.208 139 Y CA 0.078 58.208 58.100 0.050 0.000 1.521 139 Y CB -0.136 38.361 38.460 0.061 0.000 1.233 139 Y HN 0.077 nan 8.280 nan 0.000 0.539 140 M N 3.678 123.396 119.600 0.198 0.000 2.090 140 M HA 0.245 4.725 4.480 -0.000 0.000 0.277 140 M C -1.019 175.391 176.300 0.182 0.000 0.935 140 M CA -1.464 53.873 55.300 0.062 0.000 0.966 140 M CB 1.464 33.947 32.600 -0.194 0.000 1.635 140 M HN 0.635 nan 8.290 nan 0.000 0.446 141 Q N 1.204 121.150 119.800 0.242 0.000 2.314 141 Q HA 0.771 5.111 4.340 -0.000 0.000 0.258 141 Q C 0.674 176.882 176.000 0.346 0.000 0.954 141 Q CA -0.019 55.978 55.803 0.323 0.000 0.890 141 Q CB 1.106 30.071 28.738 0.379 0.000 1.210 141 Q HN 0.866 nan 8.270 nan 0.000 0.410 142 G N 0.623 109.511 108.800 0.147 0.000 2.488 142 G HA2 0.620 4.580 3.960 -0.000 0.000 0.301 142 G HA3 0.620 4.580 3.960 -0.000 0.000 0.301 142 G C -1.766 172.827 174.900 -0.511 0.000 1.339 142 G CA -0.918 43.948 45.100 -0.389 0.000 0.803 142 G HN 0.509 nan 8.290 nan 0.000 0.482 143 R N -0.430 119.658 120.500 -0.688 0.000 2.698 143 R HA 0.648 4.988 4.340 -0.000 0.000 0.275 143 R C -1.509 174.367 176.300 -0.707 0.000 1.001 143 R CA -0.661 55.057 56.100 -0.636 0.000 0.896 143 R CB 2.166 32.142 30.300 -0.540 0.000 1.218 143 R HN 0.694 nan 8.270 nan 0.000 0.462 144 Q N 3.899 123.194 119.800 -0.841 0.000 2.304 144 Q HA 0.367 4.707 4.340 -0.000 0.000 0.270 144 Q C -1.884 173.749 176.000 -0.612 0.000 1.035 144 Q CA -0.577 54.855 55.803 -0.619 0.000 0.781 144 Q CB 1.336 29.801 28.738 -0.455 0.000 1.261 144 Q HN 0.509 nan 8.270 nan 0.000 0.444 145 F N 2.959 122.738 119.950 -0.284 0.000 2.347 145 F HA 0.361 4.888 4.527 -0.000 0.000 0.366 145 F C -0.368 175.254 175.800 -0.297 0.000 1.107 145 F CA -0.733 57.125 58.000 -0.237 0.000 1.058 145 F CB 1.056 39.933 39.000 -0.205 0.000 1.236 145 F HN 0.597 nan 8.300 nan 0.000 0.456 146 H N 1.218 120.036 119.070 -0.420 0.000 2.527 146 H HA 0.333 4.889 4.556 -0.000 0.000 0.321 146 H C -0.802 174.342 175.328 -0.307 0.000 1.087 146 H CA -0.414 55.369 56.048 -0.442 0.000 1.337 146 H CB 1.098 30.353 29.762 -0.845 0.000 1.440 146 H HN 0.408 nan 8.280 nan 0.000 0.490 147 D N 3.091 123.421 120.400 -0.117 0.000 2.505 147 D HA 0.330 4.970 4.640 -0.000 0.000 0.250 147 D C -1.075 175.174 176.300 -0.085 0.000 1.164 147 D CA -0.452 53.493 54.000 -0.092 0.000 0.870 147 D CB 0.534 41.312 40.800 -0.037 0.000 1.160 147 D HN 0.413 nan 8.370 nan 0.000 0.549 148 I N 3.900 124.371 120.570 -0.165 0.000 2.447 148 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 148 I C -0.627 175.528 176.117 0.063 0.000 1.023 148 I CA -0.751 60.481 61.300 -0.113 0.000 1.083 148 I CB 2.055 39.791 38.000 -0.440 0.000 1.245 148 I HN 0.272 nan 8.210 nan 0.000 0.434 149 L N 8.003 129.328 121.223 0.171 0.000 2.264 149 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 149 L C -0.390 176.661 176.870 0.301 0.000 1.039 149 L CA -0.409 54.564 54.840 0.223 0.000 0.829 149 L CB 0.776 42.937 42.059 0.168 0.000 1.211 149 L HN 0.653 nan 8.230 nan 0.000 0.427 150 M N 3.844 123.645 119.600 0.335 0.000 2.465 150 M HA 0.590 5.070 4.480 -0.000 0.000 0.316 150 M C -1.802 174.663 176.300 0.274 0.000 1.121 150 M CA -0.781 54.730 55.300 0.351 0.000 0.934 150 M CB 2.616 35.433 32.600 0.361 0.000 1.692 150 M HN 0.304 nan 8.290 nan 0.000 0.444 151 K N 2.311 122.871 120.400 0.267 0.000 2.378 151 K HA 0.782 5.102 4.320 -0.000 0.000 0.252 151 K C -1.616 175.109 176.600 0.208 0.000 0.931 151 K CA -0.928 55.469 56.287 0.184 0.000 0.794 151 K CB 3.159 35.737 32.500 0.131 0.000 1.181 151 K HN 0.586 nan 8.250 nan 0.000 0.425 152 V N 3.451 123.437 119.914 0.120 0.000 2.569 152 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 152 V C -2.482 173.615 176.094 0.004 0.000 1.044 152 V CA -2.241 60.135 62.300 0.127 0.000 0.874 152 V CB 1.903 33.781 31.823 0.092 0.000 1.002 152 V HN 0.629 nan 8.190 nan 0.000 0.424 153 P HA 0.113 nan 4.420 nan 0.000 0.262 153 P C -0.332 176.939 177.300 -0.048 0.000 1.182 153 P CA 0.254 63.339 63.100 -0.025 0.000 0.761 153 P CB 0.337 32.041 31.700 0.006 0.000 0.795 154 L N 3.549 124.711 121.223 -0.102 0.000 2.512 154 L HA 0.169 4.509 4.340 -0.000 0.000 0.247 154 L C 0.696 177.542 176.870 -0.040 0.000 1.204 154 L CA 0.029 54.813 54.840 -0.094 0.000 1.153 154 L CB -0.235 41.714 42.059 -0.183 0.000 1.415 154 L HN 0.391 nan 8.230 nan 0.000 0.406 155 D N -1.756 118.641 120.400 -0.005 0.000 2.423 155 D HA -0.006 4.634 4.640 -0.000 0.000 0.212 155 D C 0.563 176.881 176.300 0.030 0.000 1.060 155 D CA -0.051 53.951 54.000 0.004 0.000 0.872 155 D CB 0.177 40.974 40.800 -0.004 0.000 1.012 155 D HN 0.251 nan 8.370 nan 0.000 0.503 156 N N 0.554 119.294 118.700 0.067 0.000 2.347 156 N HA 0.065 4.805 4.740 -0.000 0.000 0.253 156 N C 0.371 175.941 175.510 0.100 0.000 1.274 156 N CA 0.019 53.140 53.050 0.120 0.000 0.941 156 N CB 0.447 39.098 38.487 0.274 0.000 1.200 156 N HN 0.146 nan 8.380 nan 0.000 0.514 157 N N -0.746 118.016 118.700 0.102 0.000 2.299 157 N HA 0.005 4.745 4.740 -0.000 0.000 0.187 157 N C 0.182 175.741 175.510 0.081 0.000 1.099 157 N CA 0.336 53.432 53.050 0.076 0.000 0.867 157 N CB 0.303 38.821 38.487 0.052 0.000 0.974 157 N HN 0.401 nan 8.380 nan 0.000 0.477 158 D N 0.808 121.279 120.400 0.120 0.000 2.178 158 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 158 D C 1.675 178.023 176.300 0.079 0.000 0.974 158 D CA 0.776 54.814 54.000 0.063 0.000 0.841 158 D CB 0.187 40.981 40.800 -0.010 0.000 0.953 158 D HN 0.333 nan 8.370 nan 0.000 0.478 159 L N 1.192 122.510 121.223 0.158 0.000 2.109 159 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 159 L C 2.647 179.578 176.870 0.102 0.000 1.086 159 L CA 0.655 55.566 54.840 0.119 0.000 0.760 159 L CB -0.416 41.702 42.059 0.099 0.000 0.910 159 L HN 0.073 nan 8.230 nan 0.000 0.437 160 I N -2.982 117.640 120.570 0.086 0.000 2.439 160 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 160 I C 1.699 177.894 176.117 0.130 0.000 1.139 160 I CA 1.146 62.513 61.300 0.112 0.000 1.438 160 I CB -0.675 37.364 38.000 0.065 0.000 1.085 160 I HN 0.127 nan 8.210 nan 0.000 0.427 161 D N 1.753 122.199 120.400 0.077 0.000 2.117 161 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 161 D C 2.288 178.605 176.300 0.028 0.000 0.987 161 D CA 1.935 55.961 54.000 0.042 0.000 0.829 161 D CB -0.289 40.519 40.800 0.014 0.000 0.961 161 D HN 0.343 nan 8.370 nan 0.000 0.460 162 T N -0.430 114.144 114.554 0.033 0.000 2.812 162 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 162 T C 1.548 176.264 174.700 0.026 0.000 1.042 162 T CA 0.601 62.700 62.100 -0.002 0.000 1.140 162 T CB -0.285 68.572 68.868 -0.019 0.000 0.870 162 T HN 0.222 nan 8.240 nan 0.000 0.445 163 W N 2.235 123.486 121.300 -0.081 0.000 2.315 163 W HA -0.142 4.518 4.660 -0.000 0.000 0.323 163 W C 2.228 178.697 176.519 -0.084 0.000 1.233 163 W CA 1.443 58.738 57.345 -0.083 0.000 1.267 163 W CB -0.320 29.102 29.460 -0.062 0.000 1.160 163 W HN 0.359 nan 8.180 nan 0.000 0.474 164 E N -1.364 118.880 120.200 0.074 0.000 2.150 164 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 164 E C 2.401 178.925 176.600 -0.128 0.000 0.985 164 E CA 1.095 57.469 56.400 -0.043 0.000 0.814 164 E CB -0.847 28.882 29.700 0.048 0.000 0.752 164 E HN 0.366 nan 8.360 nan 0.000 0.466 165 G N 0.756 109.497 108.800 -0.098 0.000 2.442 165 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 165 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 165 G C 1.620 176.419 174.900 -0.169 0.000 1.141 165 G CA 1.417 46.450 45.100 -0.112 0.000 0.763 165 G HN 0.194 nan 8.290 nan 0.000 0.554 166 T N 0.522 114.930 114.554 -0.243 0.000 2.770 166 T HA -0.030 4.320 4.350 -0.000 0.000 0.258 166 T C 2.537 176.960 174.700 -0.461 0.000 1.039 166 T CA 0.898 62.811 62.100 -0.312 0.000 1.143 166 T CB -0.319 68.337 68.868 -0.354 0.000 0.866 166 T HN 0.026 nan 8.240 nan 0.000 0.428 167 V N 1.978 121.541 119.914 -0.585 0.000 2.282 167 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 167 V C 2.581 178.442 176.094 -0.390 0.000 1.057 167 V CA 1.735 63.679 62.300 -0.594 0.000 1.032 167 V CB -0.508 30.891 31.823 -0.706 0.000 0.645 167 V HN 0.427 nan 8.190 nan 0.000 0.447 168 K N -0.393 119.838 120.400 -0.282 0.000 2.148 168 K HA -0.130 4.189 4.320 -0.000 0.000 0.204 168 K C 2.157 178.649 176.600 -0.181 0.000 1.050 168 K CA 1.344 57.516 56.287 -0.190 0.000 0.942 168 K CB -0.183 32.240 32.500 -0.128 0.000 0.724 168 K HN 0.464 nan 8.250 nan 0.000 0.446 169 A N 1.616 124.315 122.820 -0.202 0.000 1.855 169 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 169 A C 1.234 178.656 177.584 -0.270 0.000 1.191 169 A CA 0.613 52.577 52.037 -0.122 0.000 0.613 169 A CB -0.388 18.633 19.000 0.035 0.000 0.829 169 A HN 0.245 nan 8.150 nan 0.000 0.442 170 I N -0.934 119.236 120.570 -0.667 0.000 2.892 170 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 170 I C 1.784 177.675 176.117 -0.376 0.000 1.205 170 I CA 1.067 61.906 61.300 -0.769 0.000 1.409 170 I CB 0.255 37.714 38.000 -0.901 0.000 1.367 170 I HN 0.592 nan 8.210 nan 0.000 0.597 171 G N 3.411 112.048 108.800 -0.272 0.000 2.435 171 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.245 171 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.245 171 G C 1.106 175.932 174.900 -0.124 0.000 1.073 171 G CA 0.856 45.853 45.100 -0.172 0.000 0.638 171 G HN 0.725 nan 8.290 nan 0.000 0.521 172 S N -0.392 115.233 115.700 -0.125 0.000 2.575 172 S HA 0.386 4.856 4.470 -0.000 0.000 0.215 172 S C 1.723 176.295 174.600 -0.048 0.000 0.966 172 S CA 1.728 59.882 58.200 -0.076 0.000 0.911 172 S CB 0.051 63.209 63.200 -0.070 0.000 0.780 172 S HN 0.694 nan 8.310 nan 0.000 0.514 173 T N -1.088 113.432 114.554 -0.058 0.000 3.250 173 T HA 0.465 4.815 4.350 -0.000 0.000 0.265 173 T C 1.578 176.206 174.700 -0.120 0.000 0.973 173 T CA 0.354 62.425 62.100 -0.049 0.000 1.040 173 T CB -0.302 68.587 68.868 0.035 0.000 1.167 173 T HN 0.646 nan 8.240 nan 0.000 0.471 174 G N 1.793 110.534 108.800 -0.098 0.000 2.396 174 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 174 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 174 G C 0.891 175.677 174.900 -0.190 0.000 1.069 174 G CA 0.310 45.340 45.100 -0.116 0.000 0.633 174 G HN 1.075 nan 8.290 nan 0.000 0.517 175 A N -0.286 122.291 122.820 -0.405 0.000 2.532 175 A HA 0.710 5.029 4.320 -0.000 0.000 0.273 175 A C 1.224 178.458 177.584 -0.584 0.000 1.342 175 A CA 0.779 52.416 52.037 -0.667 0.000 0.929 175 A CB -0.393 17.835 19.000 -1.287 0.000 1.051 175 A HN 0.903 nan 8.150 nan 0.000 0.521 176 F N 2.179 121.925 119.950 -0.340 0.000 2.113 176 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 176 F C 2.137 177.902 175.800 -0.059 0.000 1.103 176 F CA 2.130 60.037 58.000 -0.154 0.000 1.248 176 F CB -0.036 38.885 39.000 -0.132 0.000 0.999 176 F HN 0.545 nan 8.300 nan 0.000 0.475 177 N N -0.556 118.248 118.700 0.172 0.000 2.609 177 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 177 N C 0.964 176.532 175.510 0.098 0.000 1.157 177 N CA 1.058 54.196 53.050 0.147 0.000 0.918 177 N CB -0.387 38.234 38.487 0.224 0.000 0.978 177 N HN 0.412 nan 8.380 nan 0.000 0.448 178 D N 0.580 120.990 120.400 0.017 0.000 2.468 178 D HA -0.072 4.567 4.640 -0.000 0.000 0.243 178 D C 1.406 177.844 176.300 0.229 0.000 0.994 178 D CA 0.475 54.529 54.000 0.091 0.000 0.932 178 D CB -0.304 40.490 40.800 -0.011 0.000 1.078 178 D HN 0.123 nan 8.370 nan 0.000 0.473 179 W N 0.851 122.134 121.300 -0.028 0.000 2.465 179 W HA 0.064 4.724 4.660 -0.000 0.000 0.268 179 W C 2.088 178.555 176.519 -0.086 0.000 1.242 179 W CA -0.236 57.078 57.345 -0.053 0.000 1.248 179 W CB -1.125 28.284 29.460 -0.085 0.000 1.118 179 W HN 0.105 nan 8.180 nan 0.000 0.587 180 I N 1.371 121.935 120.570 -0.010 0.000 2.300 180 I HA -0.329 3.841 4.170 -0.000 0.000 0.252 180 I C 2.318 178.584 176.117 0.249 0.000 1.119 180 I CA 1.585 62.832 61.300 -0.090 0.000 1.384 180 I CB -0.314 37.500 38.000 -0.310 0.000 1.062 180 I HN -0.090 nan 8.210 nan 0.000 0.426 181 R N 0.114 120.827 120.500 0.355 0.000 2.120 181 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 181 R C 1.765 178.354 176.300 0.482 0.000 1.123 181 R CA 1.510 57.907 56.100 0.495 0.000 0.975 181 R CB -0.480 30.108 30.300 0.480 0.000 0.866 181 R HN 0.416 nan 8.270 nan 0.000 0.446 182 D N 0.063 120.637 120.400 0.290 0.000 2.144 182 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 182 D C 1.454 177.810 176.300 0.093 0.000 0.984 182 D CA 1.076 55.109 54.000 0.054 0.000 0.834 182 D CB -0.176 40.572 40.800 -0.087 0.000 0.955 182 D HN 0.194 nan 8.370 nan 0.000 0.465 183 F N -0.286 119.668 119.950 0.007 0.000 2.219 183 F HA -0.034 4.493 4.527 -0.000 0.000 0.294 183 F C 2.085 177.886 175.800 0.002 0.000 1.086 183 F CA 0.489 58.469 58.000 -0.033 0.000 1.330 183 F CB -0.008 38.938 39.000 -0.090 0.000 1.047 183 F HN -0.089 nan 8.300 nan 0.000 0.495 184 W N 1.463 122.588 121.300 -0.292 0.000 2.354 184 W HA -0.109 4.551 4.660 -0.000 0.000 0.315 184 W C 0.339 176.389 176.519 -0.780 0.000 1.206 184 W CA 1.156 58.119 57.345 -0.636 0.000 1.290 184 W CB -1.196 27.840 29.460 -0.707 0.000 1.152 184 W HN -0.033 nan 8.180 nan 0.000 0.489 185 F N 1.513 121.498 119.950 0.058 0.000 2.606 185 F HA 0.203 4.730 4.527 -0.000 0.000 0.347 185 F C 0.797 176.596 175.800 -0.002 0.000 1.207 185 F CA -0.463 57.514 58.000 -0.039 0.000 1.306 185 F CB -0.994 37.935 39.000 -0.119 0.000 1.657 185 F HN -0.357 nan 8.300 nan 0.000 0.606 186 I N 1.650 122.201 120.570 -0.032 0.000 2.845 186 I HA 0.186 4.356 4.170 -0.000 0.000 0.296 186 I C 1.280 177.390 176.117 -0.012 0.000 1.216 186 I CA 1.079 62.330 61.300 -0.082 0.000 1.438 186 I CB -0.063 37.828 38.000 -0.182 0.000 1.342 186 I HN 0.681 nan 8.210 nan 0.000 0.577 187 G N 7.122 115.906 108.800 -0.026 0.000 2.574 187 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.286 187 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.286 187 G C -1.466 173.445 174.900 0.019 0.000 1.212 187 G CA 0.143 45.234 45.100 -0.016 0.000 0.979 187 G HN 0.634 nan 8.290 nan 0.000 0.557 188 P HA 0.161 nan 4.420 nan 0.000 0.237 188 P C 1.818 179.114 177.300 -0.006 0.000 1.178 188 P CA 1.946 65.051 63.100 0.009 0.000 0.766 188 P CB -0.343 31.351 31.700 -0.010 0.000 0.876 189 A N 0.258 123.086 122.820 0.013 0.000 1.917 189 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 189 A C 2.068 179.651 177.584 -0.002 0.000 1.182 189 A CA 1.431 53.471 52.037 0.005 0.000 0.633 189 A CB -1.836 17.222 19.000 0.098 0.000 0.819 189 A HN 0.154 nan 8.150 nan 0.000 0.448 190 F N 1.381 121.304 119.950 -0.046 0.000 2.043 190 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 190 F C 2.644 178.346 175.800 -0.163 0.000 1.121 190 F CA 2.618 60.563 58.000 -0.090 0.000 1.199 190 F CB -0.609 38.370 39.000 -0.035 0.000 0.968 190 F HN 0.260 nan 8.300 nan 0.000 0.478 191 T N 0.156 114.753 114.554 0.072 0.000 2.803 191 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 191 T C 2.005 176.606 174.700 -0.165 0.000 1.052 191 T CA 1.185 63.269 62.100 -0.026 0.000 1.136 191 T CB -0.789 68.082 68.868 0.005 0.000 0.864 191 T HN 0.388 nan 8.240 nan 0.000 0.467 192 A N 0.645 123.319 122.820 -0.244 0.000 2.168 192 A HA 0.212 4.532 4.320 -0.000 0.000 0.215 192 A C 2.190 179.576 177.584 -0.329 0.000 1.152 192 A CA 0.543 52.344 52.037 -0.393 0.000 0.716 192 A CB -0.653 17.945 19.000 -0.670 0.000 0.794 192 A HN 0.461 nan 8.150 nan 0.000 0.465 193 L N -0.393 120.605 121.223 -0.376 0.000 1.973 193 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 193 L C 2.632 179.356 176.870 -0.243 0.000 1.073 193 L CA 1.716 56.318 54.840 -0.395 0.000 0.746 193 L CB -0.587 41.056 42.059 -0.693 0.000 0.891 193 L HN 0.556 nan 8.230 nan 0.000 0.433 194 N N -0.162 118.389 118.700 -0.249 0.000 2.223 194 N HA -0.218 4.522 4.740 -0.000 0.000 0.185 194 N C 1.674 177.132 175.510 -0.086 0.000 1.016 194 N CA 0.993 53.953 53.050 -0.151 0.000 0.863 194 N CB 0.130 38.536 38.487 -0.134 0.000 0.983 194 N HN 0.284 nan 8.380 nan 0.000 0.429 195 E N 0.001 120.156 120.200 -0.075 0.000 2.130 195 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 195 E C 1.390 178.005 176.600 0.025 0.000 0.998 195 E CA 1.149 57.536 56.400 -0.022 0.000 0.806 195 E CB -0.460 29.231 29.700 -0.016 0.000 0.738 195 E HN 0.495 nan 8.360 nan 0.000 0.459 196 G N -1.017 107.816 108.800 0.054 0.000 3.337 196 G HA2 0.285 4.245 3.960 -0.000 0.000 0.246 196 G HA3 0.285 4.245 3.960 -0.000 0.000 0.246 196 G C 0.865 175.772 174.900 0.012 0.000 1.131 196 G CA 0.228 45.367 45.100 0.065 0.000 0.773 196 G HN 0.332 nan 8.290 nan 0.000 0.544 197 G N -0.430 108.356 108.800 -0.023 0.000 2.221 197 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 197 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 197 G C 0.043 174.920 174.900 -0.039 0.000 1.041 197 G CA 0.472 45.547 45.100 -0.042 0.000 0.807 197 G HN 0.709 nan 8.290 nan 0.000 0.502 198 Q N -0.674 119.093 119.800 -0.055 0.000 2.312 198 Q HA 0.694 5.034 4.340 -0.000 0.000 0.263 198 Q C 0.157 176.076 176.000 -0.135 0.000 0.995 198 Q CA -0.883 54.885 55.803 -0.058 0.000 0.853 198 Q CB 0.935 29.655 28.738 -0.031 0.000 1.300 198 Q HN 0.460 nan 8.270 nan 0.000 0.448 199 R N 3.222 123.662 120.500 -0.101 0.000 2.561 199 R HA 0.502 4.842 4.340 -0.000 0.000 0.297 199 R C -0.872 175.372 176.300 -0.093 0.000 0.969 199 R CA -0.753 55.267 56.100 -0.132 0.000 0.879 199 R CB 1.453 31.711 30.300 -0.070 0.000 1.178 199 R HN 0.539 nan 8.270 nan 0.000 0.445 200 I N 2.570 123.029 120.570 -0.186 0.000 2.321 200 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 200 I C 1.057 177.196 176.117 0.037 0.000 0.998 200 I CA -0.296 60.954 61.300 -0.083 0.000 1.227 200 I CB 1.222 39.009 38.000 -0.355 0.000 1.368 200 I HN 0.678 nan 8.210 nan 0.000 0.466 201 S N 7.299 123.093 115.700 0.157 0.000 2.617 201 S HA 0.398 4.868 4.470 -0.000 0.000 0.259 201 S C 0.441 175.188 174.600 0.245 0.000 1.301 201 S CA -0.517 57.784 58.200 0.169 0.000 0.984 201 S CB 0.838 64.138 63.200 0.168 0.000 0.954 201 S HN 0.568 nan 8.310 nan 0.000 0.572 202 R N 0.491 121.122 120.500 0.218 0.000 2.734 202 R HA 0.352 4.692 4.340 -0.000 0.000 0.266 202 R C 0.505 177.002 176.300 0.328 0.000 1.044 202 R CA 0.051 56.298 56.100 0.245 0.000 1.128 202 R CB -0.131 30.274 30.300 0.174 0.000 1.010 202 R HN 0.744 nan 8.270 nan 0.000 0.461 203 I N -2.011 118.777 120.570 0.363 0.000 2.970 203 I HA 0.291 4.461 4.170 -0.000 0.000 0.310 203 I C -0.326 175.990 176.117 0.331 0.000 1.010 203 I CA -0.604 60.964 61.300 0.445 0.000 1.228 203 I CB 0.981 39.304 38.000 0.538 0.000 1.433 203 I HN 0.465 nan 8.210 nan 0.000 0.573 204 E N 2.516 122.921 120.200 0.342 0.000 2.212 204 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 204 E C -1.354 175.417 176.600 0.285 0.000 0.902 204 E CA -0.997 55.554 56.400 0.252 0.000 0.779 204 E CB 2.795 32.615 29.700 0.200 0.000 1.172 204 E HN 0.434 nan 8.360 nan 0.000 0.409 205 V N 3.215 123.247 119.914 0.197 0.000 2.347 205 V HA 0.147 4.267 4.120 -0.000 0.000 0.280 205 V C 0.267 176.434 176.094 0.123 0.000 1.021 205 V CA -0.712 61.690 62.300 0.170 0.000 0.847 205 V CB 1.063 32.921 31.823 0.058 0.000 0.990 205 V HN 0.638 nan 8.190 nan 0.000 0.444 206 N N 3.770 122.559 118.700 0.149 0.000 2.235 206 N HA 0.339 5.079 4.740 -0.000 0.000 0.209 206 N C 0.523 176.088 175.510 0.091 0.000 1.122 206 N CA 0.600 53.715 53.050 0.109 0.000 0.845 206 N CB 1.585 40.140 38.487 0.113 0.000 1.004 206 N HN 0.910 nan 8.380 nan 0.000 0.499 207 G N 0.181 109.033 108.800 0.087 0.000 2.352 207 G HA2 0.264 4.224 3.960 -0.000 0.000 0.305 207 G HA3 0.264 4.224 3.960 -0.000 0.000 0.305 207 G C -2.078 172.872 174.900 0.083 0.000 1.537 207 G CA -0.874 44.269 45.100 0.071 0.000 0.959 207 G HN 0.033 nan 8.290 nan 0.000 0.668 208 L N 1.344 122.614 121.223 0.079 0.000 2.476 208 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 208 L C -0.808 176.200 176.870 0.231 0.000 0.965 208 L CA -0.983 53.943 54.840 0.144 0.000 0.845 208 L CB 2.373 44.423 42.059 -0.015 0.000 1.259 208 L HN 0.557 nan 8.230 nan 0.000 0.403 209 N N 1.286 120.169 118.700 0.306 0.000 2.258 209 N HA 0.687 5.427 4.740 -0.000 0.000 0.299 209 N C -1.569 174.010 175.510 0.115 0.000 1.047 209 N CA -0.269 52.895 53.050 0.190 0.000 0.814 209 N CB 2.411 40.968 38.487 0.117 0.000 1.413 209 N HN 0.497 nan 8.380 nan 0.000 0.478 210 T N 1.640 116.225 114.554 0.051 0.000 3.293 210 T HA 0.349 4.699 4.350 -0.000 0.000 0.320 210 T C -1.580 173.098 174.700 -0.036 0.000 0.995 210 T CA -0.709 61.343 62.100 -0.081 0.000 1.041 210 T CB 0.909 69.713 68.868 -0.107 0.000 1.058 210 T HN 0.491 nan 8.240 nan 0.000 0.453 211 E N 1.007 121.173 120.200 -0.056 0.000 2.331 211 E HA 0.435 4.785 4.350 -0.000 0.000 0.243 211 E C 0.013 176.577 176.600 -0.061 0.000 0.925 211 E CA -0.805 55.535 56.400 -0.100 0.000 0.760 211 E CB 1.367 31.000 29.700 -0.112 0.000 1.254 211 E HN 0.368 nan 8.360 nan 0.000 0.419 212 S N 3.353 119.024 115.700 -0.048 0.000 4.027 212 S HA 0.397 4.867 4.470 -0.000 0.000 0.188 212 S C 0.152 174.740 174.600 -0.019 0.000 1.230 212 S CA 0.430 58.621 58.200 -0.016 0.000 0.920 212 S CB -1.110 62.097 63.200 0.012 0.000 1.577 212 S HN 0.763 nan 8.310 nan 0.000 0.445 213 G N 3.773 112.558 108.800 -0.026 0.000 2.093 213 G HA2 0.340 4.299 3.960 -0.000 0.000 0.298 213 G HA3 0.340 4.299 3.960 -0.000 0.000 0.298 213 G C -2.548 172.335 174.900 -0.028 0.000 1.713 213 G CA -0.829 44.257 45.100 -0.024 0.000 0.907 213 G HN 0.257 nan 8.290 nan 0.000 0.702 214 P HA -0.042 nan 4.420 nan 0.000 0.222 214 P C 1.789 179.076 177.300 -0.022 0.000 1.147 214 P CA 0.632 63.720 63.100 -0.020 0.000 0.790 214 P CB 0.456 32.147 31.700 -0.015 0.000 0.780 215 K N 0.112 120.498 120.400 -0.023 0.000 2.004 215 K HA 0.074 4.394 4.320 -0.000 0.000 0.217 215 K C 1.384 177.968 176.600 -0.027 0.000 1.026 215 K CA 1.310 57.584 56.287 -0.023 0.000 0.979 215 K CB -1.116 31.372 32.500 -0.021 0.000 0.818 215 K HN 0.094 nan 8.250 nan 0.000 0.447 216 G N 1.323 110.103 108.800 -0.033 0.000 2.568 216 G HA2 0.345 4.305 3.960 -0.000 0.000 0.293 216 G HA3 0.345 4.305 3.960 -0.000 0.000 0.293 216 G C -2.528 172.335 174.900 -0.061 0.000 1.347 216 G CA -0.920 44.156 45.100 -0.041 0.000 1.039 216 G HN 0.185 nan 8.290 nan 0.000 0.523 217 P HA 0.261 nan 4.420 nan 0.000 0.268 217 P C -0.835 176.362 177.300 -0.171 0.000 1.205 217 P CA -0.068 62.954 63.100 -0.129 0.000 0.771 217 P CB 1.463 33.078 31.700 -0.142 0.000 0.858 218 V N 2.779 122.563 119.914 -0.217 0.000 2.525 218 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 218 V C 0.674 176.547 176.094 -0.369 0.000 1.034 218 V CA -0.584 61.585 62.300 -0.218 0.000 0.863 218 V CB 1.968 33.727 31.823 -0.107 0.000 0.999 218 V HN 0.758 nan 8.190 nan 0.000 0.423 219 G N 3.544 112.050 108.800 -0.490 0.000 2.333 219 G HA2 0.552 4.511 3.960 -0.000 0.000 0.290 219 G HA3 0.552 4.511 3.960 -0.000 0.000 0.290 219 G C -0.882 173.971 174.900 -0.077 0.000 1.150 219 G CA -0.242 44.434 45.100 -0.708 0.000 0.895 219 G HN 0.545 nan 8.290 nan 0.000 0.444 220 V N 2.099 122.092 119.914 0.132 0.000 2.483 220 V HA 0.500 4.620 4.120 -0.000 0.000 0.297 220 V C -0.225 176.028 176.094 0.266 0.000 1.027 220 V CA -0.735 61.680 62.300 0.191 0.000 0.855 220 V CB 1.888 33.784 31.823 0.122 0.000 0.995 220 V HN 0.784 nan 8.190 nan 0.000 0.424 221 S N 4.664 120.519 115.700 0.258 0.000 2.478 221 S HA 0.672 5.142 4.470 -0.000 0.000 0.312 221 S C -0.507 174.299 174.600 0.344 0.000 1.094 221 S CA -0.773 57.586 58.200 0.264 0.000 1.081 221 S CB 1.709 65.033 63.200 0.206 0.000 1.007 221 S HN 0.572 nan 8.310 nan 0.000 0.475 222 R N 3.648 124.330 120.500 0.302 0.000 2.310 222 R HA 0.485 4.825 4.340 -0.000 0.000 0.316 222 R C -1.384 175.134 176.300 0.364 0.000 1.004 222 R CA -0.825 55.447 56.100 0.286 0.000 0.900 222 R CB 0.191 30.598 30.300 0.179 0.000 1.152 222 R HN 0.821 nan 8.270 nan 0.000 0.513 223 W N 3.459 124.824 121.300 0.109 0.000 3.107 223 W HA 0.632 5.292 4.660 -0.000 0.000 0.331 223 W C -1.352 175.271 176.519 0.174 0.000 1.204 223 W CA -1.036 56.385 57.345 0.126 0.000 1.184 223 W CB 0.918 30.442 29.460 0.107 0.000 1.421 223 W HN 0.287 nan 8.180 nan 0.000 0.544 224 R N 2.040 122.673 120.500 0.221 0.000 2.740 224 R HA 0.708 5.048 4.340 -0.000 0.000 0.282 224 R C -1.102 175.393 176.300 0.325 0.000 0.969 224 R CA -0.622 55.531 56.100 0.089 0.000 0.918 224 R CB 2.686 33.055 30.300 0.116 0.000 1.175 224 R HN 0.516 nan 8.270 nan 0.000 0.464 225 F N -1.618 118.373 119.950 0.069 0.000 2.692 225 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 225 F C -0.924 174.968 175.800 0.153 0.000 1.123 225 F CA -1.076 57.049 58.000 0.209 0.000 0.961 225 F CB 1.833 41.070 39.000 0.395 0.000 1.383 225 F HN 0.339 nan 8.300 nan 0.000 0.483 226 S N -0.410 115.395 115.700 0.174 0.000 2.526 226 S HA 0.634 5.104 4.470 -0.000 0.000 0.293 226 S C -1.723 172.951 174.600 0.123 0.000 1.092 226 S CA -0.500 57.621 58.200 -0.132 0.000 0.980 226 S CB 0.713 63.818 63.200 -0.158 0.000 1.048 226 S HN 1.155 nan 8.310 nan 0.000 0.483 227 H N 0.582 119.536 119.070 -0.192 0.000 2.667 227 H HA 0.740 5.296 4.556 -0.000 0.000 0.353 227 H C -0.035 175.191 175.328 -0.170 0.000 1.072 227 H CA -0.939 55.060 56.048 -0.082 0.000 1.214 227 H CB 1.131 30.927 29.762 0.057 0.000 1.600 227 H HN 0.701 nan 8.280 nan 0.000 0.527 228 G N 1.574 110.269 108.800 -0.175 0.000 2.389 228 G HA2 0.549 4.509 3.960 -0.000 0.000 0.317 228 G HA3 0.549 4.509 3.960 -0.000 0.000 0.317 228 G C -0.538 174.286 174.900 -0.127 0.000 1.137 228 G CA -0.581 44.423 45.100 -0.160 0.000 0.870 228 G HN 0.909 nan 8.290 nan 0.000 0.496 229 G N -0.620 108.129 108.800 -0.085 0.000 2.591 229 G HA2 0.456 4.416 3.960 -0.000 0.000 0.306 229 G HA3 0.456 4.416 3.960 -0.000 0.000 0.306 229 G C 0.698 175.629 174.900 0.052 0.000 1.334 229 G CA 0.345 45.430 45.100 -0.025 0.000 0.981 229 G HN 1.072 nan 8.290 nan 0.000 0.491 230 S N 0.337 116.050 115.700 0.023 0.000 2.607 230 S HA 0.379 4.848 4.470 -0.000 0.000 0.224 230 S C 1.628 176.233 174.600 0.007 0.000 0.969 230 S CA 1.062 59.269 58.200 0.011 0.000 0.927 230 S CB 0.184 63.350 63.200 -0.057 0.000 0.772 230 S HN 2.147 nan 8.310 nan 0.000 0.533 231 G N 0.864 109.698 108.800 0.056 0.000 3.110 231 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.205 231 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.205 231 G C 0.800 175.837 174.900 0.228 0.000 1.019 231 G CA 0.148 45.328 45.100 0.132 0.000 0.826 231 G HN 0.391 nan 8.290 nan 0.000 0.481 232 M N 1.277 120.964 119.600 0.145 0.000 2.510 232 M HA 0.242 4.722 4.480 -0.000 0.000 0.256 232 M C 0.684 177.055 176.300 0.117 0.000 1.132 232 M CA 0.602 56.009 55.300 0.178 0.000 1.105 232 M CB 0.697 33.368 32.600 0.119 0.000 1.375 232 M HN -0.011 nan 8.290 nan 0.000 0.477 233 V N 2.819 122.790 119.914 0.095 0.000 2.390 233 V HA -0.053 4.067 4.120 -0.000 0.000 0.260 233 V C 0.759 176.925 176.094 0.120 0.000 1.043 233 V CA 0.234 62.587 62.300 0.088 0.000 1.047 233 V CB -0.367 31.501 31.823 0.076 0.000 1.066 233 V HN 0.356 nan 8.190 nan 0.000 0.481 234 D N 2.627 123.094 120.400 0.111 0.000 2.219 234 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 234 D C 1.980 178.382 176.300 0.169 0.000 0.970 234 D CA 1.175 55.250 54.000 0.126 0.000 0.851 234 D CB 0.303 41.155 40.800 0.087 0.000 0.943 234 D HN 0.562 nan 8.370 nan 0.000 0.488 235 S N 0.366 116.180 115.700 0.189 0.000 2.382 235 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 235 S C 2.098 176.874 174.600 0.294 0.000 1.027 235 S CA 0.619 58.980 58.200 0.269 0.000 0.991 235 S CB 0.143 63.541 63.200 0.331 0.000 0.823 235 S HN 0.276 nan 8.310 nan 0.000 0.469 236 I N 0.513 121.185 120.570 0.170 0.000 2.729 236 I HA -0.036 4.134 4.170 -0.000 0.000 0.256 236 I C 2.486 178.737 176.117 0.223 0.000 1.115 236 I CA 0.865 62.191 61.300 0.044 0.000 1.446 236 I CB -0.391 37.543 38.000 -0.110 0.000 1.176 236 I HN 0.313 nan 8.210 nan 0.000 0.446 237 S N 1.405 117.263 115.700 0.264 0.000 2.402 237 S HA -0.081 4.388 4.470 -0.000 0.000 0.229 237 S C 1.640 176.451 174.600 0.353 0.000 1.021 237 S CA 0.726 59.129 58.200 0.338 0.000 0.974 237 S CB -0.239 63.085 63.200 0.207 0.000 0.800 237 S HN 0.404 nan 8.310 nan 0.000 0.484 238 R N -0.441 120.234 120.500 0.292 0.000 2.700 238 R HA 0.250 4.590 4.340 -0.000 0.000 0.399 238 R C 0.944 177.399 176.300 0.258 0.000 1.115 238 R CA -0.413 55.829 56.100 0.238 0.000 1.058 238 R CB -0.237 30.146 30.300 0.138 0.000 1.389 238 R HN 0.534 nan 8.270 nan 0.000 0.582 239 W N 1.649 123.021 121.300 0.121 0.000 2.290 239 W HA -0.392 4.268 4.660 -0.000 0.000 0.328 239 W C 1.462 178.031 176.519 0.083 0.000 1.272 239 W CA 2.583 59.961 57.345 0.054 0.000 1.262 239 W CB -0.199 29.226 29.460 -0.059 0.000 1.151 239 W HN 0.289 nan 8.180 nan 0.000 0.473 240 A N 0.190 123.056 122.820 0.076 0.000 1.845 240 A HA -0.301 4.019 4.320 -0.000 0.000 0.215 240 A C 1.970 179.514 177.584 -0.066 0.000 1.195 240 A CA 2.090 54.090 52.037 -0.063 0.000 0.616 240 A CB -1.461 17.573 19.000 0.057 0.000 0.832 240 A HN 0.537 nan 8.150 nan 0.000 0.443 241 E N -0.071 120.130 120.200 0.002 0.000 2.097 241 E HA -0.224 4.125 4.350 -0.000 0.000 0.196 241 E C 1.827 178.409 176.600 -0.031 0.000 1.000 241 E CA 1.697 58.088 56.400 -0.015 0.000 0.804 241 E CB -0.299 29.411 29.700 0.016 0.000 0.740 241 E HN 0.620 nan 8.360 nan 0.000 0.454 242 L N -1.338 119.880 121.223 -0.009 0.000 2.456 242 L HA 0.099 4.439 4.340 -0.000 0.000 0.224 242 L C 0.764 177.644 176.870 0.018 0.000 1.148 242 L CA 1.196 56.032 54.840 -0.007 0.000 0.825 242 L CB -0.356 41.714 42.059 0.018 0.000 0.937 242 L HN 0.065 nan 8.230 nan 0.000 0.450 243 F N 3.115 122.941 119.950 -0.207 0.000 2.550 243 F HA 0.540 5.067 4.527 -0.000 0.000 0.348 243 F C -2.359 173.331 175.800 -0.183 0.000 1.219 243 F CA -2.185 55.680 58.000 -0.224 0.000 1.203 243 F CB 1.202 40.000 39.000 -0.337 0.000 1.436 243 F HN -0.076 nan 8.300 nan 0.000 0.541 244 P HA 0.085 nan 4.420 nan 0.000 0.225 244 P C 0.676 177.663 177.300 -0.522 0.000 1.813 244 P CA 0.080 62.949 63.100 -0.385 0.000 1.013 244 P CB 0.385 31.939 31.700 -0.243 0.000 1.961 245 S N 1.411 116.542 115.700 -0.949 0.000 2.374 245 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 245 S C 1.534 175.932 174.600 -0.335 0.000 1.037 245 S CA 1.645 59.396 58.200 -0.748 0.000 1.024 245 S CB -1.016 61.600 63.200 -0.974 0.000 0.861 245 S HN 0.357 nan 8.310 nan 0.000 0.456 246 D N 1.840 122.070 120.400 -0.283 0.000 2.221 246 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 246 D C 1.350 177.614 176.300 -0.060 0.000 0.982 246 D CA 1.149 55.068 54.000 -0.136 0.000 0.857 246 D CB -0.382 40.352 40.800 -0.110 0.000 0.934 246 D HN 0.392 nan 8.370 nan 0.000 0.475 247 K N -0.713 119.647 120.400 -0.066 0.000 2.374 247 K HA 0.236 4.556 4.320 -0.000 0.000 0.196 247 K C 0.233 176.951 176.600 0.197 0.000 1.023 247 K CA -0.294 56.022 56.287 0.048 0.000 1.103 247 K CB 0.318 32.805 32.500 -0.021 0.000 0.848 247 K HN 0.033 nan 8.250 nan 0.000 0.528 248 L N 3.001 124.284 121.223 0.099 0.000 2.387 248 L HA 0.106 4.445 4.340 -0.000 0.000 0.267 248 L C 0.401 177.418 176.870 0.246 0.000 1.197 248 L CA 0.018 54.998 54.840 0.233 0.000 1.070 248 L CB -0.039 42.064 42.059 0.074 0.000 1.349 248 L HN 0.213 nan 8.230 nan 0.000 0.422 249 N N 3.567 122.453 118.700 0.311 0.000 2.336 249 N HA 0.008 4.748 4.740 -0.000 0.000 0.189 249 N C 0.028 175.584 175.510 0.076 0.000 1.113 249 N CA -0.050 53.075 53.050 0.126 0.000 0.858 249 N CB 0.242 38.760 38.487 0.051 0.000 0.970 249 N HN 0.642 nan 8.380 nan 0.000 0.471 250 R N -1.731 118.866 120.500 0.162 0.000 2.728 250 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 250 R C -3.458 172.989 176.300 0.246 0.000 1.030 250 R CA -1.508 54.648 56.100 0.092 0.000 0.876 250 R CB 0.082 30.324 30.300 -0.098 0.000 1.259 250 R HN -0.215 nan 8.270 nan 0.000 0.468 251 P HA 0.205 nan 4.420 nan 0.000 0.271 251 P C -0.993 176.515 177.300 0.347 0.000 1.216 251 P CA -0.077 63.151 63.100 0.214 0.000 0.771 251 P CB 1.217 32.993 31.700 0.126 0.000 0.864 252 A N 3.239 126.262 122.820 0.339 0.000 2.282 252 A HA 0.816 5.136 4.320 -0.000 0.000 0.324 252 A C -0.658 177.053 177.584 0.211 0.000 1.119 252 A CA -0.229 52.013 52.037 0.342 0.000 0.880 252 A CB 0.994 20.071 19.000 0.127 0.000 1.294 252 A HN 0.569 nan 8.150 nan 0.000 0.493 253 Q N -1.662 118.273 119.800 0.226 0.000 2.545 253 Q HA 0.585 4.925 4.340 -0.000 0.000 0.273 253 Q C -2.019 174.096 176.000 0.191 0.000 0.975 253 Q CA -0.670 55.226 55.803 0.155 0.000 0.876 253 Q CB 0.923 29.732 28.738 0.118 0.000 1.472 253 Q HN 0.879 nan 8.270 nan 0.000 0.389 254 V N 1.084 121.056 119.914 0.097 0.000 2.623 254 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 254 V C -0.890 175.227 176.094 0.037 0.000 1.054 254 V CA -0.682 61.676 62.300 0.097 0.000 0.882 254 V CB 1.813 33.650 31.823 0.023 0.000 1.002 254 V HN 0.830 nan 8.190 nan 0.000 0.424 255 E N 3.340 123.573 120.200 0.055 0.000 2.145 255 E HA 0.781 5.131 4.350 -0.000 0.000 0.270 255 E C -0.451 176.173 176.600 0.040 0.000 0.906 255 E CA -0.564 55.850 56.400 0.024 0.000 0.761 255 E CB 2.713 32.427 29.700 0.023 0.000 1.116 255 E HN 0.829 nan 8.360 nan 0.000 0.408 256 A N 2.111 124.944 122.820 0.022 0.000 2.454 256 A HA 0.906 5.226 4.320 -0.000 0.000 0.302 256 A C -0.379 177.227 177.584 0.037 0.000 1.079 256 A CA -0.466 51.605 52.037 0.057 0.000 0.731 256 A CB 2.179 21.227 19.000 0.080 0.000 1.299 256 A HN 0.620 nan 8.150 nan 0.000 0.413 257 G N -0.213 108.630 108.800 0.072 0.000 2.732 257 G HA2 0.719 4.679 3.960 -0.000 0.000 0.296 257 G HA3 0.719 4.679 3.960 -0.000 0.000 0.296 257 G C -1.169 173.809 174.900 0.129 0.000 1.448 257 G CA -0.354 44.756 45.100 0.017 0.000 0.911 257 G HN 1.657 nan 8.290 nan 0.000 0.528 258 F N 0.171 120.158 119.950 0.061 0.000 2.588 258 F HA 0.892 5.419 4.527 -0.000 0.000 0.310 258 F C -0.621 175.211 175.800 0.053 0.000 1.082 258 F CA -1.522 56.514 58.000 0.059 0.000 0.929 258 F CB 1.888 40.930 39.000 0.069 0.000 1.254 258 F HN 0.314 nan 8.300 nan 0.000 0.455 259 R N 2.153 122.838 120.500 0.309 0.000 2.562 259 R HA 0.740 5.080 4.340 -0.000 0.000 0.298 259 R C -1.033 175.436 176.300 0.283 0.000 0.961 259 R CA -0.765 55.471 56.100 0.225 0.000 0.881 259 R CB 1.674 32.043 30.300 0.115 0.000 1.159 259 R HN 1.039 nan 8.270 nan 0.000 0.450 260 S N 0.324 116.175 115.700 0.252 0.000 2.565 260 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 260 S C -1.313 173.358 174.600 0.119 0.000 1.153 260 S CA -0.693 57.613 58.200 0.177 0.000 0.835 260 S CB 2.533 65.835 63.200 0.169 0.000 1.122 260 S HN 0.645 nan 8.310 nan 0.000 0.462 261 D N -0.090 120.357 120.400 0.079 0.000 3.213 261 D HA 0.273 4.912 4.640 -0.000 0.000 0.357 261 D C 0.915 177.239 176.300 0.040 0.000 1.446 261 D CA 0.236 54.271 54.000 0.058 0.000 0.893 261 D CB 0.108 40.941 40.800 0.055 0.000 1.466 261 D HN 0.769 nan 8.370 nan 0.000 0.541 262 S N -1.306 114.413 115.700 0.032 0.000 2.469 262 S HA -0.184 4.286 4.470 -0.000 0.000 0.238 262 S C 1.132 175.747 174.600 0.026 0.000 0.998 262 S CA 1.190 59.404 58.200 0.023 0.000 0.957 262 S CB -0.420 62.790 63.200 0.017 0.000 0.764 262 S HN 0.409 nan 8.310 nan 0.000 0.514 263 Q N 0.716 120.535 119.800 0.032 0.000 2.302 263 Q HA 0.410 4.750 4.340 -0.000 0.000 0.202 263 Q C 1.239 177.262 176.000 0.039 0.000 0.936 263 Q CA 0.903 56.727 55.803 0.035 0.000 0.886 263 Q CB 0.426 29.186 28.738 0.036 0.000 0.986 263 Q HN 0.719 nan 8.270 nan 0.000 0.487 264 G N -0.099 108.725 108.800 0.040 0.000 2.350 264 G HA2 0.264 4.224 3.960 -0.000 0.000 0.276 264 G HA3 0.264 4.224 3.960 -0.000 0.000 0.276 264 G C -1.698 173.227 174.900 0.042 0.000 1.313 264 G CA -0.941 44.181 45.100 0.037 0.000 0.903 264 G HN 0.028 nan 8.290 nan 0.000 0.490 265 I N 0.479 121.071 120.570 0.036 0.000 2.533 265 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 265 I C -0.557 175.599 176.117 0.064 0.000 1.056 265 I CA -0.537 60.787 61.300 0.041 0.000 1.057 265 I CB 2.387 40.377 38.000 -0.016 0.000 1.240 265 I HN 0.448 nan 8.210 nan 0.000 0.423 266 E N 4.575 124.839 120.200 0.107 0.000 2.222 266 E HA 0.688 5.038 4.350 -0.000 0.000 0.267 266 E C -1.581 175.117 176.600 0.164 0.000 0.884 266 E CA -0.697 55.771 56.400 0.113 0.000 0.764 266 E CB 3.402 33.166 29.700 0.106 0.000 1.169 266 E HN 0.369 nan 8.360 nan 0.000 0.413 267 V N 3.079 123.077 119.914 0.140 0.000 2.851 267 V HA 0.614 4.734 4.120 -0.000 0.000 0.307 267 V C -1.774 174.398 176.094 0.130 0.000 1.129 267 V CA -0.563 61.843 62.300 0.176 0.000 0.932 267 V CB 1.842 33.777 31.823 0.186 0.000 1.024 267 V HN 0.719 nan 8.190 nan 0.000 0.426 268 K N 4.760 125.236 120.400 0.127 0.000 2.385 268 K HA 0.929 5.249 4.320 -0.000 0.000 0.248 268 K C -2.218 174.450 176.600 0.113 0.000 0.955 268 K CA -0.737 55.611 56.287 0.103 0.000 0.816 268 K CB 2.661 35.207 32.500 0.076 0.000 1.250 268 K HN 0.607 nan 8.250 nan 0.000 0.434 269 V N 1.637 121.620 119.914 0.116 0.000 2.851 269 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 269 V C -1.714 174.452 176.094 0.120 0.000 1.129 269 V CA -0.699 61.676 62.300 0.124 0.000 0.932 269 V CB 2.202 34.116 31.823 0.152 0.000 1.024 269 V HN 0.997 nan 8.190 nan 0.000 0.426 270 D N 1.806 122.277 120.400 0.117 0.000 2.970 270 D HA 0.751 5.391 4.640 -0.000 0.000 0.230 270 D C -0.119 176.270 176.300 0.149 0.000 1.276 270 D CA 0.134 54.201 54.000 0.112 0.000 0.910 270 D CB 2.182 43.031 40.800 0.082 0.000 1.590 270 D HN 0.974 nan 8.370 nan 0.000 0.551 271 G N 1.182 110.088 108.800 0.177 0.000 2.608 271 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 271 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 271 G C -1.639 173.341 174.900 0.133 0.000 1.425 271 G CA -0.619 44.642 45.100 0.270 0.000 0.787 271 G HN 0.347 nan 8.290 nan 0.000 0.484 272 E N -0.515 119.814 120.200 0.216 0.000 2.313 272 E HA 0.579 4.929 4.350 -0.000 0.000 0.280 272 E C -1.729 174.990 176.600 0.199 0.000 0.898 272 E CA -0.748 55.679 56.400 0.045 0.000 0.803 272 E CB 1.504 31.311 29.700 0.177 0.000 1.286 272 E HN 0.660 nan 8.360 nan 0.000 0.401 273 F N 1.522 121.435 119.950 -0.061 0.000 2.725 273 F HA 0.575 5.102 4.527 -0.000 0.000 0.309 273 F C -2.955 172.353 175.800 -0.820 0.000 1.132 273 F CA -2.144 55.514 58.000 -0.570 0.000 0.957 273 F CB 0.586 39.392 39.000 -0.325 0.000 1.286 273 F HN 0.056 nan 8.300 nan 0.000 0.440 274 P HA 0.425 nan 4.420 nan 0.000 0.274 274 P C 0.514 177.652 177.300 -0.270 0.000 1.246 274 P CA 0.945 63.518 63.100 -0.879 0.000 0.795 274 P CB 1.425 32.528 31.700 -0.994 0.000 1.006 275 G N -0.491 108.205 108.800 -0.173 0.000 2.184 275 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.206 275 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.206 275 G C 0.759 175.647 174.900 -0.020 0.000 0.995 275 G CA 0.141 45.203 45.100 -0.064 0.000 0.651 275 G HN 0.348 nan 8.290 nan 0.000 0.511 276 V N 1.376 121.263 119.914 -0.045 0.000 2.323 276 V HA 0.125 4.244 4.120 -0.000 0.000 0.244 276 V C 1.899 177.972 176.094 -0.036 0.000 1.041 276 V CA 2.306 64.575 62.300 -0.052 0.000 1.025 276 V CB -0.233 31.498 31.823 -0.154 0.000 0.656 276 V HN 1.135 nan 8.190 nan 0.000 0.451 277 S N 0.276 115.970 115.700 -0.011 0.000 2.593 277 S HA 0.708 5.177 4.470 -0.000 0.000 0.297 277 S C -0.700 173.902 174.600 0.004 0.000 1.112 277 S CA -0.259 57.962 58.200 0.035 0.000 1.043 277 S CB 2.021 65.300 63.200 0.131 0.000 1.054 277 S HN 0.608 nan 8.310 nan 0.000 0.516 278 V N -0.273 119.633 119.914 -0.012 0.000 2.962 278 V HA 0.600 4.720 4.120 -0.000 0.000 0.313 278 V C -0.761 175.299 176.094 -0.056 0.000 1.099 278 V CA -0.969 61.313 62.300 -0.030 0.000 0.971 278 V CB 1.555 33.360 31.823 -0.029 0.000 1.028 278 V HN 1.020 nan 8.190 nan 0.000 0.430 279 D N 3.057 123.428 120.400 -0.049 0.000 2.493 279 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 279 D C 0.928 177.191 176.300 -0.061 0.000 1.142 279 D CA 1.052 55.016 54.000 -0.060 0.000 0.872 279 D CB 1.683 42.461 40.800 -0.037 0.000 1.173 279 D HN 0.983 nan 8.370 nan 0.000 0.467 280 A N 3.296 126.069 122.820 -0.078 0.000 2.303 280 A HA 0.516 4.836 4.320 -0.000 0.000 0.217 280 A C 0.978 178.531 177.584 -0.051 0.000 1.205 280 A CA 0.493 52.492 52.037 -0.064 0.000 0.875 280 A CB -0.262 18.693 19.000 -0.075 0.000 0.910 280 A HN 0.978 nan 8.150 nan 0.000 0.501 281 G N -1.744 107.027 108.800 -0.049 0.000 3.307 281 G HA2 0.433 4.393 3.960 -0.000 0.000 0.686 281 G HA3 0.433 4.393 3.960 -0.000 0.000 0.686 281 G C 0.870 175.746 174.900 -0.040 0.000 0.983 281 G CA 0.162 45.239 45.100 -0.038 0.000 0.804 281 G HN 2.102 nan 8.290 nan 0.000 0.531 282 G N 0.222 109.001 108.800 -0.034 0.000 2.145 282 G HA2 0.469 4.429 3.960 -0.000 0.000 0.176 282 G HA3 0.469 4.429 3.960 -0.000 0.000 0.176 282 G C 1.810 176.690 174.900 -0.033 0.000 1.013 282 G CA 0.840 45.921 45.100 -0.031 0.000 0.689 282 G HN 3.084 nan 8.290 nan 0.000 0.506 283 G N -1.348 107.431 108.800 -0.035 0.000 2.245 283 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.264 283 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.264 283 G C 0.624 175.489 174.900 -0.058 0.000 0.985 283 G CA 0.848 45.926 45.100 -0.037 0.000 0.625 283 G HN 1.422 nan 8.290 nan 0.000 0.536 284 L N 0.630 121.807 121.223 -0.076 0.000 2.439 284 L HA 0.701 5.041 4.340 -0.000 0.000 0.261 284 L C 1.063 177.804 176.870 -0.214 0.000 1.153 284 L CA -0.758 54.003 54.840 -0.132 0.000 0.808 284 L CB 0.636 42.643 42.059 -0.088 0.000 1.126 284 L HN 0.132 nan 8.230 nan 0.000 0.460 285 R N 1.402 121.639 120.500 -0.438 0.000 2.888 285 R HA 0.700 5.040 4.340 -0.000 0.000 0.266 285 R C -1.094 174.968 176.300 -0.396 0.000 1.020 285 R CA -1.018 54.796 56.100 -0.477 0.000 0.963 285 R CB 2.488 32.378 30.300 -0.683 0.000 1.197 285 R HN 0.686 nan 8.270 nan 0.000 0.481 286 R N 0.002 120.417 120.500 -0.141 0.000 2.867 286 R HA 0.492 4.832 4.340 -0.000 0.000 0.268 286 R C -0.400 175.937 176.300 0.061 0.000 1.014 286 R CA -0.943 55.160 56.100 0.004 0.000 0.946 286 R CB 0.821 31.106 30.300 -0.025 0.000 1.208 286 R HN 0.258 nan 8.270 nan 0.000 0.477 287 I N 3.355 123.936 120.570 0.019 0.000 2.634 287 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 287 I C 1.146 177.219 176.117 -0.074 0.000 1.124 287 I CA -0.544 60.720 61.300 -0.059 0.000 1.417 287 I CB 0.117 38.008 38.000 -0.183 0.000 1.396 287 I HN 0.672 nan 8.210 nan 0.000 0.571 288 L N 4.626 125.813 121.223 -0.061 0.000 2.499 288 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 288 L C 0.526 177.360 176.870 -0.061 0.000 1.234 288 L CA -0.283 54.526 54.840 -0.051 0.000 0.839 288 L CB -0.032 42.003 42.059 -0.040 0.000 1.104 288 L HN 0.444 nan 8.230 nan 0.000 0.500 289 N N 0.936 119.617 118.700 -0.033 0.000 2.412 289 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 289 N C -0.011 175.511 175.510 0.021 0.000 1.232 289 N CA 0.071 53.120 53.050 -0.001 0.000 0.880 289 N CB -0.015 38.478 38.487 0.009 0.000 1.076 289 N HN 0.631 nan 8.380 nan 0.000 0.458 290 H N 3.743 122.823 119.070 0.016 0.000 3.107 290 H HA 0.038 4.594 4.556 -0.000 0.000 0.301 290 H C -1.868 173.488 175.328 0.047 0.000 0.981 290 H CA -0.835 55.245 56.048 0.052 0.000 1.443 290 H CB 0.350 30.194 29.762 0.136 0.000 1.479 290 H HN 0.373 nan 8.280 nan 0.000 0.564 291 P HA -0.027 nan 4.420 nan 0.000 0.269 291 P C 0.705 178.149 177.300 0.240 0.000 1.215 291 P CA -0.094 63.070 63.100 0.107 0.000 0.780 291 P CB 1.294 33.002 31.700 0.014 0.000 0.898 292 L N 1.267 122.574 121.223 0.141 0.000 2.357 292 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 292 L C 2.346 179.241 176.870 0.041 0.000 1.075 292 L CA 0.254 55.165 54.840 0.118 0.000 0.830 292 L CB -0.342 41.795 42.059 0.130 0.000 0.996 292 L HN 0.269 nan 8.230 nan 0.000 0.467 293 I N 0.851 121.408 120.570 -0.022 0.000 2.226 293 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 293 I C -0.062 175.938 176.117 -0.194 0.000 1.100 293 I CA 1.614 62.786 61.300 -0.212 0.000 1.374 293 I CB -2.167 35.657 38.000 -0.294 0.000 1.057 293 I HN 0.112 nan 8.210 nan 0.000 0.413 294 P HA -0.158 nan 4.420 nan 0.000 0.216 294 P C 2.184 179.522 177.300 0.063 0.000 1.153 294 P CA 1.447 64.573 63.100 0.043 0.000 0.858 294 P CB 0.031 31.800 31.700 0.114 0.000 0.789 295 L N -1.849 119.394 121.223 0.034 0.000 2.131 295 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 295 L C 2.316 179.187 176.870 0.001 0.000 1.087 295 L CA 0.999 55.819 54.840 -0.033 0.000 0.767 295 L CB -1.006 40.971 42.059 -0.137 0.000 0.917 295 L HN -0.132 nan 8.230 nan 0.000 0.441 296 V N -0.466 119.458 119.914 0.015 0.000 2.295 296 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 296 V C 2.329 178.513 176.094 0.149 0.000 1.049 296 V CA 1.838 64.170 62.300 0.054 0.000 1.024 296 V CB -0.861 31.000 31.823 0.063 0.000 0.648 296 V HN 0.473 nan 8.190 nan 0.000 0.447 297 H N -1.415 117.658 119.070 0.006 0.000 2.357 297 H HA -0.162 4.394 4.556 -0.000 0.000 0.301 297 H C 2.404 177.727 175.328 -0.009 0.000 1.082 297 H CA 1.428 57.475 56.048 -0.002 0.000 1.342 297 H CB -0.019 29.754 29.762 0.018 0.000 1.389 297 H HN 0.464 nan 8.280 nan 0.000 0.511 298 H N 0.865 119.972 119.070 0.062 0.000 2.423 298 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 298 H C 2.301 177.572 175.328 -0.096 0.000 1.075 298 H CA 1.090 57.120 56.048 -0.030 0.000 1.342 298 H CB -0.197 29.534 29.762 -0.051 0.000 1.395 298 H HN 0.441 nan 8.280 nan 0.000 0.530 299 G N 0.943 109.736 108.800 -0.012 0.000 2.503 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 299 G C 1.794 176.567 174.900 -0.213 0.000 1.131 299 G CA 1.040 46.073 45.100 -0.112 0.000 0.756 299 G HN 0.402 nan 8.290 nan 0.000 0.572 300 M N 0.316 119.816 119.600 -0.167 0.000 2.460 300 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 300 M C 2.260 178.385 176.300 -0.293 0.000 1.071 300 M CA 0.974 56.173 55.300 -0.167 0.000 1.096 300 M CB 0.179 32.728 32.600 -0.086 0.000 1.408 300 M HN 0.271 nan 8.290 nan 0.000 0.463 301 V N -5.187 114.470 119.914 -0.429 0.000 3.645 301 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 301 V C 1.677 177.304 176.094 -0.778 0.000 1.356 301 V CA 0.719 62.705 62.300 -0.524 0.000 1.051 301 V CB -0.750 30.904 31.823 -0.283 0.000 0.828 301 V HN 0.325 nan 8.190 nan 0.000 0.441 302 G N 0.591 108.989 108.800 -0.669 0.000 2.920 302 G HA2 0.076 4.036 3.960 -0.000 0.000 0.208 302 G HA3 0.076 4.036 3.960 -0.000 0.000 0.208 302 G C 1.141 175.871 174.900 -0.283 0.000 1.159 302 G CA 0.152 45.008 45.100 -0.406 0.000 0.784 302 G HN 0.559 nan 8.290 nan 0.000 0.535 303 K N -0.164 119.909 120.400 -0.545 0.000 2.387 303 K HA 0.234 4.554 4.320 -0.000 0.000 0.203 303 K C 0.532 177.044 176.600 -0.147 0.000 1.030 303 K CA -0.334 55.780 56.287 -0.288 0.000 1.099 303 K CB 0.335 32.672 32.500 -0.272 0.000 0.863 303 K HN 0.221 nan 8.250 nan 0.000 0.529 304 F N 1.106 121.063 119.950 0.012 0.000 2.754 304 F HA 0.177 4.704 4.527 -0.000 0.000 0.297 304 F C 0.449 176.266 175.800 0.028 0.000 1.122 304 F CA -0.111 57.891 58.000 0.004 0.000 1.400 304 F CB 0.021 39.007 39.000 -0.022 0.000 1.117 304 F HN -0.099 nan 8.300 nan 0.000 0.587 305 N N 0.188 119.016 118.700 0.212 0.000 2.264 305 N HA 0.119 4.859 4.740 -0.000 0.000 0.288 305 N C -1.217 174.436 175.510 0.239 0.000 1.094 305 N CA -0.545 52.614 53.050 0.182 0.000 0.817 305 N CB 1.613 40.193 38.487 0.155 0.000 1.604 305 N HN -0.155 nan 8.380 nan 0.000 0.473 306 N N 1.102 119.894 118.700 0.154 0.000 2.508 306 N HA 0.331 5.071 4.740 -0.000 0.000 0.264 306 N C -0.805 174.819 175.510 0.189 0.000 1.216 306 N CA 0.501 53.600 53.050 0.082 0.000 0.943 306 N CB 0.348 38.840 38.487 0.008 0.000 1.113 306 N HN 0.424 nan 8.380 nan 0.000 0.447 307 F N -1.023 118.916 119.950 -0.018 0.000 2.654 307 F HA 0.504 5.031 4.527 -0.000 0.000 0.308 307 F C -0.600 175.179 175.800 -0.036 0.000 1.108 307 F CA -1.363 56.620 58.000 -0.027 0.000 0.957 307 F CB 0.783 39.764 39.000 -0.032 0.000 1.309 307 F HN 0.096 nan 8.300 nan 0.000 0.446 308 N N 0.934 119.696 118.700 0.104 0.000 2.524 308 N HA 0.441 5.181 4.740 -0.000 0.000 0.283 308 N C -1.067 174.537 175.510 0.157 0.000 1.142 308 N CA -0.534 52.541 53.050 0.042 0.000 0.984 308 N CB 2.225 40.720 38.487 0.014 0.000 1.155 308 N HN 0.531 nan 8.380 nan 0.000 0.467 309 V N 1.371 121.346 119.914 0.101 0.000 2.333 309 V HA 0.084 4.204 4.120 -0.000 0.000 0.274 309 V C -0.066 176.063 176.094 0.059 0.000 1.028 309 V CA -0.584 61.789 62.300 0.121 0.000 0.851 309 V CB 0.759 32.657 31.823 0.124 0.000 1.000 309 V HN 0.585 nan 8.190 nan 0.000 0.456 310 D N 4.871 125.275 120.400 0.006 0.000 2.493 310 D HA 0.590 5.230 4.640 -0.000 0.000 0.235 310 D C -0.115 176.253 176.300 0.114 0.000 1.117 310 D CA 0.010 54.047 54.000 0.063 0.000 0.930 310 D CB 0.900 41.741 40.800 0.067 0.000 1.010 310 D HN 0.672 nan 8.370 nan 0.000 0.514 311 A N 3.231 126.154 122.820 0.171 0.000 2.401 311 A HA 0.733 5.053 4.320 -0.000 0.000 0.310 311 A C -0.951 176.851 177.584 0.363 0.000 1.075 311 A CA -0.797 51.381 52.037 0.235 0.000 0.746 311 A CB 1.741 20.925 19.000 0.308 0.000 1.277 311 A HN 0.468 nan 8.150 nan 0.000 0.425 312 Q N 0.977 120.975 119.800 0.330 0.000 2.309 312 Q HA 0.574 4.914 4.340 -0.000 0.000 0.273 312 Q C -2.313 173.905 176.000 0.362 0.000 1.040 312 Q CA -0.715 55.293 55.803 0.342 0.000 0.834 312 Q CB 2.107 30.965 28.738 0.199 0.000 1.345 312 Q HN 0.788 nan 8.270 nan 0.000 0.414 313 L N 3.049 124.456 121.223 0.307 0.000 2.322 313 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 313 L C -1.497 175.571 176.870 0.330 0.000 1.014 313 L CA 0.021 55.045 54.840 0.307 0.000 0.815 313 L CB 1.426 43.541 42.059 0.095 0.000 1.247 313 L HN 0.525 nan 8.230 nan 0.000 0.421 314 K N 4.485 125.044 120.400 0.266 0.000 2.235 314 K HA 0.652 4.972 4.320 -0.000 0.000 0.266 314 K C -1.398 175.336 176.600 0.224 0.000 0.980 314 K CA -0.772 55.665 56.287 0.251 0.000 0.849 314 K CB 2.057 34.645 32.500 0.147 0.000 1.098 314 K HN 0.460 nan 8.250 nan 0.000 0.445 315 V N 3.298 123.399 119.914 0.311 0.000 2.417 315 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 315 V C -0.322 175.860 176.094 0.147 0.000 1.024 315 V CA -1.038 61.371 62.300 0.182 0.000 0.861 315 V CB 1.625 33.562 31.823 0.190 0.000 0.985 315 V HN 0.425 nan 8.190 nan 0.000 0.436 316 V N 6.153 126.092 119.914 0.042 0.000 2.311 316 V HA 0.399 4.519 4.120 -0.000 0.000 0.275 316 V C 0.205 176.262 176.094 -0.060 0.000 1.022 316 V CA -0.426 61.884 62.300 0.017 0.000 0.830 316 V CB 1.068 32.889 31.823 -0.003 0.000 1.012 316 V HN 0.644 nan 8.190 nan 0.000 0.452 317 L N 6.268 127.459 121.223 -0.054 0.000 2.472 317 L HA 0.369 4.709 4.340 -0.000 0.000 0.260 317 L C -1.931 174.880 176.870 -0.099 0.000 1.209 317 L CA -1.521 53.207 54.840 -0.186 0.000 0.817 317 L CB 0.728 42.717 42.059 -0.117 0.000 1.106 317 L HN 0.385 nan 8.230 nan 0.000 0.479 318 P HA 0.089 nan 4.420 nan 0.000 0.273 318 P C -1.175 176.246 177.300 0.201 0.000 1.250 318 P CA -0.487 62.594 63.100 -0.032 0.000 0.793 318 P CB 0.379 31.977 31.700 -0.170 0.000 1.011 319 K N 0.869 121.380 120.400 0.184 0.000 2.402 319 K HA 0.341 4.660 4.320 -0.000 0.000 0.285 319 K C 1.175 177.889 176.600 0.189 0.000 1.054 319 K CA 1.006 57.384 56.287 0.152 0.000 1.001 319 K CB -0.662 31.889 32.500 0.086 0.000 0.946 319 K HN 0.811 nan 8.250 nan 0.000 0.473 320 G N 2.541 111.429 108.800 0.146 0.000 2.232 320 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.226 320 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.226 320 G C -0.373 174.563 174.900 0.060 0.000 0.996 320 G CA -0.529 44.611 45.100 0.067 0.000 0.626 320 G HN 0.544 nan 8.290 nan 0.000 0.509 321 Y N 1.931 122.287 120.300 0.094 0.000 2.411 321 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 321 Y C 0.974 176.969 175.900 0.159 0.000 1.186 321 Y CA 0.159 58.347 58.100 0.146 0.000 1.381 321 Y CB 0.784 39.357 38.460 0.188 0.000 1.273 321 Y HN -0.106 nan 8.280 nan 0.000 0.546 322 K N 3.904 124.486 120.400 0.304 0.000 2.259 322 K HA 0.441 4.761 4.320 -0.000 0.000 0.249 322 K C -0.745 175.992 176.600 0.228 0.000 0.942 322 K CA -0.759 55.686 56.287 0.262 0.000 0.816 322 K CB 2.374 34.988 32.500 0.189 0.000 1.155 322 K HN 0.621 nan 8.250 nan 0.000 0.428 323 I N 3.869 124.477 120.570 0.063 0.000 2.471 323 I HA 0.053 4.223 4.170 -0.000 0.000 0.286 323 I C 1.558 177.773 176.117 0.163 0.000 1.079 323 I CA -0.067 61.245 61.300 0.020 0.000 1.398 323 I CB 0.594 38.419 38.000 -0.292 0.000 1.403 323 I HN 0.312 nan 8.210 nan 0.000 0.530 324 R N 5.091 125.707 120.500 0.193 0.000 2.189 324 R HA 0.122 4.462 4.340 -0.000 0.000 0.203 324 R C -0.359 176.101 176.300 0.267 0.000 1.012 324 R CA 0.569 56.785 56.100 0.192 0.000 1.015 324 R CB 0.080 30.467 30.300 0.144 0.000 0.938 324 R HN 0.631 nan 8.270 nan 0.000 0.472 325 Y N -0.704 119.665 120.300 0.115 0.000 2.521 325 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 325 Y C -1.895 174.104 175.900 0.166 0.000 1.121 325 Y CA -0.972 57.196 58.100 0.113 0.000 1.037 325 Y CB 1.943 40.446 38.460 0.073 0.000 1.330 325 Y HN 0.012 nan 8.280 nan 0.000 0.452 326 A N 3.818 126.410 122.820 -0.380 0.000 2.429 326 A HA 0.730 5.050 4.320 -0.000 0.000 0.289 326 A C -0.029 177.293 177.584 -0.435 0.000 1.043 326 A CA -0.102 51.866 52.037 -0.115 0.000 0.722 326 A CB 0.849 20.085 19.000 0.393 0.000 1.243 326 A HN 1.421 nan 8.150 nan 0.000 0.415 327 A N 3.708 126.369 122.820 -0.266 0.000 2.365 327 A HA 0.161 4.481 4.320 -0.000 0.000 0.201 327 A C -1.401 176.094 177.584 -0.149 0.000 1.169 327 A CA 1.421 53.359 52.037 -0.164 0.000 0.869 327 A CB -1.926 17.129 19.000 0.091 0.000 0.810 327 A HN 0.614 nan 8.150 nan 0.000 0.540 328 P HA 0.225 nan 4.420 nan 0.000 0.262 328 P C -0.862 176.457 177.300 0.032 0.000 1.199 328 P CA 0.240 63.239 63.100 -0.169 0.000 0.763 328 P CB 0.147 31.625 31.700 -0.370 0.000 0.790 329 Q N 2.683 122.454 119.800 -0.048 0.000 2.443 329 Q HA 0.227 4.567 4.340 -0.000 0.000 0.232 329 Q C 0.017 175.806 176.000 -0.352 0.000 1.026 329 Q CA -0.332 55.353 55.803 -0.197 0.000 0.924 329 Q CB -0.130 28.379 28.738 -0.381 0.000 1.256 329 Q HN 0.465 nan 8.270 nan 0.000 0.519 330 Y N -1.690 118.218 120.300 -0.652 0.000 2.326 330 Y HA 0.322 4.872 4.550 -0.000 0.000 0.324 330 Y C 1.052 176.634 175.900 -0.530 0.000 1.291 330 Y CA -1.186 56.160 58.100 -1.255 0.000 1.348 330 Y CB 0.631 38.074 38.460 -1.695 0.000 1.294 330 Y HN 0.566 nan 8.280 nan 0.000 0.525 331 R N 0.477 120.852 120.500 -0.209 0.000 2.112 331 R HA 0.122 4.462 4.340 -0.000 0.000 0.216 331 R C -0.377 175.926 176.300 0.004 0.000 1.080 331 R CA 1.057 57.109 56.100 -0.081 0.000 0.996 331 R CB 0.074 30.355 30.300 -0.032 0.000 0.902 331 R HN 0.954 nan 8.270 nan 0.000 0.449 332 S N -0.945 114.774 115.700 0.032 0.000 2.671 332 S HA 0.384 4.854 4.470 -0.000 0.000 0.277 332 S C -1.431 173.054 174.600 -0.193 0.000 1.165 332 S CA -1.023 57.168 58.200 -0.016 0.000 0.822 332 S CB 2.073 65.239 63.200 -0.057 0.000 1.150 332 S HN 0.267 nan 8.310 nan 0.000 0.479 333 Q N 0.522 120.155 119.800 -0.278 0.000 2.435 333 Q HA 0.700 5.040 4.340 -0.000 0.000 0.282 333 Q C -2.145 173.639 176.000 -0.361 0.000 1.020 333 Q CA -0.762 54.699 55.803 -0.570 0.000 0.820 333 Q CB 1.849 30.021 28.738 -0.943 0.000 1.436 333 Q HN 0.622 nan 8.270 nan 0.000 0.395 334 N N 3.005 121.479 118.700 -0.378 0.000 2.572 334 N HA 0.318 5.058 4.740 -0.000 0.000 0.287 334 N C -0.278 175.090 175.510 -0.236 0.000 1.136 334 N CA -0.190 52.723 53.050 -0.229 0.000 0.900 334 N CB 1.028 39.422 38.487 -0.155 0.000 1.484 334 N HN 0.908 nan 8.380 nan 0.000 0.526 335 L N 1.503 122.611 121.223 -0.191 0.000 5.334 335 L HA -0.382 3.958 4.340 -0.000 0.000 0.053 335 L C 0.776 177.514 176.870 -0.221 0.000 2.649 335 L CA 1.805 56.554 54.840 -0.152 0.000 1.695 335 L CB -0.724 41.285 42.059 -0.083 0.000 2.744 335 L HN 0.578 nan 8.230 nan 0.000 0.899 336 E N -0.322 119.806 120.200 -0.119 0.000 2.444 336 E HA 0.137 4.487 4.350 -0.000 0.000 0.191 336 E C -0.129 176.445 176.600 -0.044 0.000 1.041 336 E CA 0.117 56.498 56.400 -0.031 0.000 0.883 336 E CB 0.225 29.967 29.700 0.069 0.000 1.024 336 E HN 0.274 nan 8.360 nan 0.000 0.470 337 E N 0.708 120.794 120.200 -0.191 0.000 2.146 337 E HA 0.173 4.523 4.350 -0.000 0.000 0.282 337 E C -1.070 175.316 176.600 -0.357 0.000 0.989 337 E CA -0.468 55.848 56.400 -0.141 0.000 0.799 337 E CB 0.497 30.141 29.700 -0.093 0.000 1.088 337 E HN 0.067 nan 8.360 nan 0.000 0.397 338 Y N 2.731 122.920 120.300 -0.185 0.000 2.409 338 Y HA 0.442 4.991 4.550 -0.000 0.000 0.339 338 Y C 0.115 175.902 175.900 -0.188 0.000 1.033 338 Y CA -0.801 57.062 58.100 -0.395 0.000 1.094 338 Y CB 1.612 39.721 38.460 -0.585 0.000 1.210 338 Y HN 0.311 nan 8.280 nan 0.000 0.456 339 R N 2.401 122.801 120.500 -0.167 0.000 2.575 339 R HA 0.352 4.692 4.340 -0.000 0.000 0.293 339 R C -1.620 174.625 176.300 -0.091 0.000 0.983 339 R CA -0.792 55.327 56.100 0.031 0.000 0.887 339 R CB 2.159 32.475 30.300 0.028 0.000 1.184 339 R HN 0.671 nan 8.270 nan 0.000 0.445 340 W N 1.498 122.757 121.300 -0.069 0.000 2.429 340 W HA 0.448 5.108 4.660 -0.000 0.000 0.314 340 W C -0.070 176.366 176.519 -0.138 0.000 1.062 340 W CA -0.531 56.680 57.345 -0.224 0.000 1.211 340 W CB 2.374 31.357 29.460 -0.795 0.000 1.305 340 W HN 0.407 nan 8.180 nan 0.000 0.476 341 S N 0.997 116.822 115.700 0.209 0.000 2.556 341 S HA 0.679 5.149 4.470 -0.000 0.000 0.271 341 S C 0.234 174.996 174.600 0.270 0.000 1.135 341 S CA 0.408 58.781 58.200 0.289 0.000 0.858 341 S CB 1.289 64.595 63.200 0.177 0.000 1.114 341 S HN 0.931 nan 8.310 nan 0.000 0.468 342 G N 2.305 111.267 108.800 0.270 0.000 2.581 342 G HA2 0.132 4.092 3.960 -0.000 0.000 0.289 342 G HA3 0.132 4.092 3.960 -0.000 0.000 0.289 342 G C 1.040 176.039 174.900 0.164 0.000 1.303 342 G CA 0.462 45.668 45.100 0.177 0.000 0.931 342 G HN 2.186 nan 8.290 nan 0.000 0.555 343 G N -1.147 107.711 108.800 0.097 0.000 2.632 343 G HA2 0.077 4.037 3.960 -0.000 0.000 0.322 343 G HA3 0.077 4.037 3.960 -0.000 0.000 0.322 343 G C 1.776 176.724 174.900 0.079 0.000 1.326 343 G CA 2.636 47.778 45.100 0.070 0.000 0.986 343 G HN 2.490 nan 8.290 nan 0.000 0.541 344 A N -1.817 121.045 122.820 0.069 0.000 2.070 344 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 344 A C 2.146 179.795 177.584 0.108 0.000 1.159 344 A CA 2.465 54.538 52.037 0.060 0.000 0.656 344 A CB -0.437 18.576 19.000 0.023 0.000 0.800 344 A HN 1.261 nan 8.150 nan 0.000 0.453 345 Y N 0.380 120.708 120.300 0.047 0.000 2.220 345 Y HA 0.047 4.597 4.550 -0.000 0.000 0.291 345 Y C 2.555 178.568 175.900 0.189 0.000 1.129 345 Y CA 0.944 59.095 58.100 0.085 0.000 1.161 345 Y CB -0.497 38.051 38.460 0.146 0.000 0.997 345 Y HN 0.283 nan 8.280 nan 0.000 0.522 346 A N 0.486 123.342 122.820 0.060 0.000 1.972 346 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 346 A C 2.330 179.889 177.584 -0.042 0.000 1.169 346 A CA 1.592 53.620 52.037 -0.013 0.000 0.635 346 A CB -0.571 18.473 19.000 0.073 0.000 0.810 346 A HN 0.505 nan 8.150 nan 0.000 0.446 347 R N -2.312 118.184 120.500 -0.005 0.000 2.073 347 R HA -0.163 4.177 4.340 -0.000 0.000 0.229 347 R C 1.985 178.288 176.300 0.005 0.000 1.120 347 R CA 1.403 57.497 56.100 -0.009 0.000 0.967 347 R CB -0.356 29.945 30.300 0.001 0.000 0.862 347 R HN 0.769 nan 8.270 nan 0.000 0.436 348 W N 0.818 122.014 121.300 -0.174 0.000 2.338 348 W HA -0.229 4.431 4.660 -0.000 0.000 0.304 348 W C 1.699 178.138 176.519 -0.132 0.000 1.212 348 W CA 1.344 58.586 57.345 -0.173 0.000 1.264 348 W CB -0.225 29.088 29.460 -0.244 0.000 1.142 348 W HN -0.209 nan 8.180 nan 0.000 0.512 349 V N 0.366 120.108 119.914 -0.287 0.000 2.323 349 V HA -0.293 3.827 4.120 -0.000 0.000 0.244 349 V C 2.245 178.226 176.094 -0.187 0.000 1.041 349 V CA 2.303 64.383 62.300 -0.365 0.000 1.025 349 V CB -1.025 30.661 31.823 -0.229 0.000 0.656 349 V HN 0.262 nan 8.190 nan 0.000 0.451 350 E N 0.026 120.200 120.200 -0.043 0.000 2.033 350 E HA -0.368 3.982 4.350 -0.000 0.000 0.199 350 E C 2.192 178.790 176.600 -0.004 0.000 1.011 350 E CA 2.265 58.699 56.400 0.057 0.000 0.815 350 E CB -0.275 29.362 29.700 -0.104 0.000 0.755 350 E HN 0.782 nan 8.360 nan 0.000 0.451 351 H N 0.170 119.118 119.070 -0.204 0.000 2.265 351 H HA -0.174 4.382 4.556 -0.000 0.000 0.293 351 H C 2.131 177.273 175.328 -0.311 0.000 1.089 351 H CA 3.125 59.032 56.048 -0.236 0.000 1.244 351 H CB -0.414 29.197 29.762 -0.252 0.000 1.355 351 H HN 0.185 nan 8.280 nan 0.000 0.485 352 V N -2.211 117.386 119.914 -0.529 0.000 2.427 352 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 352 V C 2.605 178.471 176.094 -0.380 0.000 1.051 352 V CA 1.613 63.552 62.300 -0.601 0.000 1.048 352 V CB -1.349 29.890 31.823 -0.972 0.000 0.666 352 V HN 0.598 nan 8.190 nan 0.000 0.456 353 C N 0.150 119.286 119.300 -0.273 0.000 2.419 353 C HA -0.011 4.449 4.460 -0.000 0.000 0.283 353 C C 2.674 177.695 174.990 0.052 0.000 1.373 353 C CA 1.502 60.449 59.018 -0.119 0.000 1.781 353 C CB -1.302 26.397 27.740 -0.069 0.000 1.886 353 C HN 0.607 nan 8.230 nan 0.000 0.520 354 K N -0.830 119.548 120.400 -0.037 0.000 2.353 354 K HA 0.238 4.558 4.320 -0.000 0.000 0.195 354 K C 1.353 177.868 176.600 -0.142 0.000 1.031 354 K CA 0.764 57.015 56.287 -0.059 0.000 1.079 354 K CB 0.494 32.969 32.500 -0.042 0.000 0.857 354 K HN 0.465 nan 8.250 nan 0.000 0.535 355 G N 0.694 109.380 108.800 -0.189 0.000 2.273 355 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.162 355 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.162 355 G C 0.294 175.028 174.900 -0.277 0.000 1.006 355 G CA -0.459 44.533 45.100 -0.180 0.000 0.704 355 G HN 0.363 nan 8.290 nan 0.000 0.487 356 G N -0.073 108.401 108.800 -0.543 0.000 2.467 356 G HA2 0.583 4.543 3.960 -0.000 0.000 0.257 356 G HA3 0.583 4.543 3.960 -0.000 0.000 0.257 356 G C 0.925 175.597 174.900 -0.382 0.000 1.227 356 G CA 0.518 45.107 45.100 -0.851 0.000 0.835 356 G HN 1.364 nan 8.290 nan 0.000 0.556 357 V N 0.111 120.011 119.914 -0.023 0.000 3.070 357 V HA 0.493 4.613 4.120 -0.000 0.000 0.345 357 V C 1.031 177.295 176.094 0.282 0.000 1.403 357 V CA -0.030 62.332 62.300 0.103 0.000 1.155 357 V CB -0.128 31.750 31.823 0.091 0.000 1.140 357 V HN 0.860 nan 8.190 nan 0.000 0.505 358 G N 1.100 110.206 108.800 0.509 0.000 2.224 358 G HA2 0.142 4.101 3.960 -0.000 0.000 0.239 358 G HA3 0.142 4.101 3.960 -0.000 0.000 0.239 358 G C 0.001 175.160 174.900 0.431 0.000 1.240 358 G CA 0.244 45.564 45.100 0.367 0.000 0.896 358 G HN 0.741 nan 8.290 nan 0.000 0.496 359 Q N 1.766 121.723 119.800 0.261 0.000 2.300 359 Q HA 0.242 4.582 4.340 -0.000 0.000 0.280 359 Q C -0.766 175.339 176.000 0.175 0.000 1.033 359 Q CA -0.162 55.770 55.803 0.215 0.000 0.903 359 Q CB 0.372 29.184 28.738 0.123 0.000 1.195 359 Q HN 0.536 nan 8.270 nan 0.000 0.386 360 F N 4.161 124.013 119.950 -0.165 0.000 2.445 360 F HA 0.429 4.956 4.527 -0.000 0.000 0.348 360 F C -1.035 174.579 175.800 -0.311 0.000 1.125 360 F CA -0.826 56.861 58.000 -0.521 0.000 0.983 360 F CB 1.220 39.312 39.000 -1.513 0.000 1.198 360 F HN 0.576 nan 8.300 nan 0.000 0.436 361 E N 7.117 127.338 120.200 0.034 0.000 2.199 361 E HA 0.533 4.883 4.350 -0.000 0.000 0.269 361 E C -1.460 175.089 176.600 -0.085 0.000 0.899 361 E CA -0.876 55.479 56.400 -0.074 0.000 0.772 361 E CB 2.061 31.852 29.700 0.152 0.000 1.155 361 E HN 0.760 nan 8.360 nan 0.000 0.408 362 I N 5.497 125.976 120.570 -0.151 0.000 2.468 362 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 362 I C -0.897 175.281 176.117 0.100 0.000 1.039 362 I CA -0.528 60.763 61.300 -0.016 0.000 1.074 362 I CB 1.262 39.178 38.000 -0.140 0.000 1.228 362 I HN 0.355 nan 8.210 nan 0.000 0.436 363 L N 7.234 128.571 121.223 0.191 0.000 2.334 363 L HA 0.626 4.966 4.340 -0.000 0.000 0.276 363 L C -1.043 175.966 176.870 0.231 0.000 1.014 363 L CA -0.891 54.045 54.840 0.161 0.000 0.815 363 L CB 1.610 43.754 42.059 0.142 0.000 1.268 363 L HN 0.515 nan 8.230 nan 0.000 0.428 364 Y N 1.343 121.678 120.300 0.058 0.000 2.571 364 Y HA 0.917 5.467 4.550 -0.000 0.000 0.341 364 Y C -1.096 174.895 175.900 0.151 0.000 1.076 364 Y CA -1.075 57.074 58.100 0.082 0.000 1.029 364 Y CB 1.623 40.106 38.460 0.040 0.000 1.308 364 Y HN 0.644 nan 8.280 nan 0.000 0.461 365 A N 2.896 125.870 122.820 0.257 0.000 2.594 365 A HA 0.612 4.932 4.320 -0.000 0.000 0.291 365 A C -1.203 176.438 177.584 0.095 0.000 1.105 365 A CA -0.994 51.142 52.037 0.165 0.000 0.694 365 A CB 1.792 20.804 19.000 0.019 0.000 1.291 365 A HN 1.002 nan 8.150 nan 0.000 0.410 366 Q N 0.000 119.628 119.800 -0.286 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.533 55.803 -0.450 0.000 1.022 366 Q CB 0.000 28.233 28.738 -0.842 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481