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 3efv_1_A DATA FIRST_RESID 5 DATA SEQUENCE TATQALSVNP ATGQTLAAXP WANAQEIEHA LSLAASGFKK WKXTSVAQRA DATA SEQUENCE QTLRDIGQAL RAHAEEXAQC ITREXGKPIK QARAEVTKSA ALCDWYAEHG DATA SEQUENCE PAXLNPEPTL VENQQAVIEY RPLGVILAIX PWNFPLWQVL RGAVPILLAG DATA SEQUENCE NSYLLKHAPN VTGCAQXIAR ILAEAGTPAG VYGWVNANNE GVSQXINDPR DATA SEQUENCE IAAVTVTGSV RAGAAIGAQA GAALKKCVLE LGGSDPFIVL NDADLELAVK DATA SEQUENCE AAVAGRYQNT GQVCAAAKRF IVEEGIAQAF TDRFVAAAAA LKXGDPLVEE DATA SEQUENCE NDLGPXARFD LRDELHQQVQ ASVAEGARLL LGGEKIAGEG NYYAATVLAD DATA SEQUENCE VTPDXTAFRQ ELFGPVAAIT VAKDAAHALA LANDSEFGLS ATIFTADDTL DATA SEQUENCE AAEXAARLEC GGVFINGYSA SDARVAFGGV KKSGFGRELS HFGLHEFCNV DATA SEQUENCE QTVWKNRV 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.782 174.700 0.137 0.000 1.109 5 T CA 0.000 62.176 62.100 0.126 0.000 1.349 5 T CB 0.000 68.934 68.868 0.111 0.000 0.612 6 A N 1.063 124.009 122.820 0.210 0.000 2.524 6 A HA 0.787 5.107 4.320 0.000 0.000 0.286 6 A C 1.034 178.791 177.584 0.288 0.000 1.203 6 A CA 0.267 52.404 52.037 0.167 0.000 0.736 6 A CB 1.020 20.061 19.000 0.068 0.000 1.322 6 A HN 0.759 nan 8.150 nan 0.000 0.424 7 T N -1.565 113.068 114.554 0.133 0.000 3.148 7 T HA 0.196 4.546 4.350 0.000 0.000 0.253 7 T C 0.174 174.669 174.700 -0.343 0.000 1.134 7 T CA 0.503 62.667 62.100 0.106 0.000 1.051 7 T CB -0.174 68.724 68.868 0.051 0.000 0.959 7 T HN 0.480 nan 8.240 nan 0.000 0.525 8 Q N 0.561 120.081 119.800 -0.467 0.000 2.397 8 Q HA 0.686 5.027 4.340 0.000 0.000 0.275 8 Q C -1.089 174.369 176.000 -0.902 0.000 1.090 8 Q CA -0.811 54.563 55.803 -0.714 0.000 0.809 8 Q CB 2.275 30.815 28.738 -0.331 0.000 1.362 8 Q HN 0.317 nan 8.270 nan 0.000 0.431 9 A N 2.189 124.354 122.820 -1.092 0.000 2.451 9 A HA 0.406 4.726 4.320 0.000 0.000 0.266 9 A C -0.580 176.860 177.584 -0.241 0.000 1.119 9 A CA -0.191 51.511 52.037 -0.559 0.000 0.786 9 A CB -0.076 18.718 19.000 -0.343 0.000 1.061 9 A HN 0.511 nan 8.150 nan 0.000 0.503 10 L N 3.467 124.623 121.223 -0.112 0.000 2.313 10 L HA 0.586 4.926 4.340 0.000 0.000 0.283 10 L C 0.182 177.032 176.870 -0.034 0.000 1.013 10 L CA 0.159 54.957 54.840 -0.070 0.000 0.816 10 L CB 1.922 43.953 42.059 -0.048 0.000 1.236 10 L HN 0.623 nan 8.230 nan 0.000 0.419 11 S N 3.973 119.653 115.700 -0.034 0.000 2.462 11 S HA 0.851 5.321 4.470 0.000 0.000 0.294 11 S C -0.633 173.955 174.600 -0.020 0.000 1.144 11 S CA -0.748 57.436 58.200 -0.028 0.000 1.088 11 S CB 1.580 64.763 63.200 -0.028 0.000 1.009 11 S HN 0.395 nan 8.310 nan 0.000 0.484 12 V N 2.954 122.860 119.914 -0.013 0.000 2.577 12 V HA 0.397 4.517 4.120 0.000 0.000 0.303 12 V C -0.357 175.743 176.094 0.010 0.000 1.042 12 V CA -0.950 61.359 62.300 0.015 0.000 0.872 12 V CB 1.904 33.762 31.823 0.058 0.000 0.998 12 V HN 0.973 nan 8.190 nan 0.000 0.423 13 N N 7.300 126.008 118.700 0.013 0.000 2.416 13 N HA 0.160 4.900 4.740 0.000 0.000 0.265 13 N C -1.345 174.166 175.510 0.003 0.000 1.195 13 N CA -1.586 51.460 53.050 -0.008 0.000 0.943 13 N CB 1.739 40.226 38.487 -0.000 0.000 1.115 13 N HN 0.343 nan 8.380 nan 0.000 0.481 14 P HA -0.050 nan 4.420 nan 0.000 0.226 14 P C 0.671 177.830 177.300 -0.234 0.000 1.153 14 P CA 0.651 63.616 63.100 -0.225 0.000 0.777 14 P CB 0.232 31.695 31.700 -0.394 0.000 0.794 15 A N 0.368 123.101 122.820 -0.145 0.000 2.014 15 A HA -0.067 4.253 4.320 0.000 0.000 0.218 15 A C 2.120 179.765 177.584 0.101 0.000 1.163 15 A CA 2.193 54.200 52.037 -0.050 0.000 0.652 15 A CB -1.366 17.649 19.000 0.025 0.000 0.808 15 A HN 0.382 nan 8.150 nan 0.000 0.449 16 T N -6.257 108.347 114.554 0.083 0.000 2.971 16 T HA 0.419 4.769 4.350 0.000 0.000 0.252 16 T C 1.424 176.198 174.700 0.124 0.000 1.022 16 T CA 1.115 63.276 62.100 0.101 0.000 0.980 16 T CB 0.285 69.189 68.868 0.060 0.000 1.044 16 T HN 1.648 nan 8.240 nan 0.000 0.501 17 G N 1.611 110.522 108.800 0.185 0.000 2.162 17 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 17 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 17 G C -0.164 174.766 174.900 0.050 0.000 0.976 17 G CA 0.109 45.322 45.100 0.188 0.000 0.655 17 G HN 0.665 nan 8.290 nan 0.000 0.533 18 Q N 0.780 120.608 119.800 0.047 0.000 2.245 18 Q HA 0.523 4.864 4.340 0.000 0.000 0.256 18 Q C 0.413 176.417 176.000 0.007 0.000 0.942 18 Q CA -0.249 55.561 55.803 0.012 0.000 0.896 18 Q CB 1.154 29.898 28.738 0.010 0.000 1.272 18 Q HN 0.238 nan 8.270 nan 0.000 0.442 19 T N 2.793 117.341 114.554 -0.010 0.000 2.908 19 T HA 0.099 4.449 4.350 0.000 0.000 0.301 19 T C 1.389 176.082 174.700 -0.011 0.000 1.019 19 T CA 0.289 62.381 62.100 -0.014 0.000 1.152 19 T CB 0.289 69.143 68.868 -0.023 0.000 0.966 19 T HN 0.411 nan 8.240 nan 0.000 0.540 20 L N 1.671 122.886 121.223 -0.013 0.000 2.362 20 L HA 0.513 4.853 4.340 0.000 0.000 0.204 20 L C 1.077 177.938 176.870 -0.015 0.000 1.060 20 L CA 0.173 55.006 54.840 -0.013 0.000 0.827 20 L CB 0.036 42.087 42.059 -0.014 0.000 1.027 20 L HN 0.758 nan 8.230 nan 0.000 0.474 21 A N -0.890 121.917 122.820 -0.021 0.000 2.597 21 A HA 0.810 5.130 4.320 0.000 0.000 0.292 21 A C -1.631 175.929 177.584 -0.041 0.000 1.057 21 A CA 0.086 52.109 52.037 -0.024 0.000 0.674 21 A CB 0.944 19.935 19.000 -0.014 0.000 1.278 21 A HN 0.038 nan 8.150 nan 0.000 0.416 25 W N 1.416 122.717 121.300 0.001 0.000 2.209 25 W HA 0.459 5.120 4.660 0.000 0.000 0.344 25 W C 0.945 177.445 176.519 -0.032 0.000 1.285 25 W CA -0.435 56.905 57.345 -0.009 0.000 1.267 25 W CB 0.392 29.851 29.460 -0.002 0.000 1.167 25 W HN 0.528 nan 8.180 nan 0.000 0.574 26 A N 3.680 126.627 122.820 0.211 0.000 2.546 26 A HA 0.070 4.390 4.320 0.000 0.000 0.243 26 A C 0.295 177.924 177.584 0.075 0.000 1.063 26 A CA -0.325 51.754 52.037 0.070 0.000 0.757 26 A CB -0.310 18.693 19.000 0.005 0.000 0.991 26 A HN 0.701 nan 8.150 nan 0.000 0.503 27 N N 1.819 120.542 118.700 0.039 0.000 2.418 27 N HA 0.490 5.231 4.740 0.000 0.000 0.283 27 N C 1.050 176.568 175.510 0.013 0.000 1.267 27 N CA 0.039 53.108 53.050 0.031 0.000 0.975 27 N CB 0.238 38.738 38.487 0.022 0.000 1.167 27 N HN 0.513 nan 8.380 nan 0.000 0.581 28 A N -1.067 121.758 122.820 0.009 0.000 1.908 28 A HA -0.250 4.070 4.320 0.000 0.000 0.218 28 A C 1.966 179.552 177.584 0.004 0.000 1.181 28 A CA 1.714 53.752 52.037 0.002 0.000 0.627 28 A CB -1.060 17.940 19.000 0.001 0.000 0.818 28 A HN 0.804 nan 8.150 nan 0.000 0.445 29 Q N 0.053 119.856 119.800 0.004 0.000 2.084 29 Q HA -0.230 4.111 4.340 0.000 0.000 0.202 29 Q C 1.743 177.757 176.000 0.024 0.000 0.978 29 Q CA 2.195 58.003 55.803 0.008 0.000 0.844 29 Q CB -0.216 28.518 28.738 -0.008 0.000 0.898 29 Q HN 0.804 nan 8.270 nan 0.000 0.426 30 E N 0.086 120.291 120.200 0.009 0.000 2.107 30 E HA -0.081 4.270 4.350 0.000 0.000 0.191 30 E C 2.211 178.822 176.600 0.017 0.000 0.982 30 E CA 0.973 57.381 56.400 0.015 0.000 0.809 30 E CB -0.033 29.650 29.700 -0.029 0.000 0.756 30 E HN 0.371 nan 8.360 nan 0.000 0.459 31 I N 1.127 121.693 120.570 -0.006 0.000 2.179 31 I HA -0.269 3.902 4.170 0.000 0.000 0.242 31 I C 2.581 178.685 176.117 -0.022 0.000 1.088 31 I CA 1.207 62.490 61.300 -0.027 0.000 1.357 31 I CB -0.099 37.883 38.000 -0.028 0.000 1.051 31 I HN 0.071 nan 8.210 nan 0.000 0.409 32 E N 0.660 120.861 120.200 0.002 0.000 2.077 32 E HA -0.323 4.028 4.350 0.000 0.000 0.193 32 E C 2.096 178.705 176.600 0.016 0.000 0.989 32 E CA 1.807 58.210 56.400 0.005 0.000 0.800 32 E CB -0.274 29.436 29.700 0.018 0.000 0.746 32 E HN 0.543 nan 8.360 nan 0.000 0.452 33 H N -0.275 118.770 119.070 -0.042 0.000 2.321 33 H HA 0.021 4.577 4.556 0.000 0.000 0.300 33 H C 1.789 177.085 175.328 -0.053 0.000 1.087 33 H CA 2.361 58.383 56.048 -0.043 0.000 1.319 33 H CB -0.526 29.208 29.762 -0.047 0.000 1.379 33 H HN 0.236 nan 8.280 nan 0.000 0.501 34 A N 0.605 123.322 122.820 -0.171 0.000 1.883 34 A HA -0.118 4.202 4.320 0.000 0.000 0.217 34 A C 2.600 180.063 177.584 -0.202 0.000 1.186 34 A CA 1.673 53.575 52.037 -0.226 0.000 0.624 34 A CB -0.953 17.956 19.000 -0.151 0.000 0.822 34 A HN 0.480 nan 8.150 nan 0.000 0.444 35 L N -0.798 120.342 121.223 -0.138 0.000 2.056 35 L HA -0.148 4.193 4.340 0.000 0.000 0.207 35 L C 2.951 179.762 176.870 -0.097 0.000 1.078 35 L CA 1.543 56.320 54.840 -0.106 0.000 0.749 35 L CB -0.432 41.583 42.059 -0.074 0.000 0.901 35 L HN 0.515 nan 8.230 nan 0.000 0.433 36 S N 0.026 115.664 115.700 -0.103 0.000 2.368 36 S HA -0.175 4.295 4.470 0.000 0.000 0.224 36 S C 1.941 176.481 174.600 -0.099 0.000 1.029 36 S CA 1.135 59.291 58.200 -0.074 0.000 0.988 36 S CB -0.174 63.000 63.200 -0.044 0.000 0.838 36 S HN 0.263 nan 8.310 nan 0.000 0.462 37 L N 1.732 122.828 121.223 -0.212 0.000 2.056 37 L HA 0.221 4.562 4.340 0.000 0.000 0.207 37 L C 2.552 179.360 176.870 -0.103 0.000 1.078 37 L CA 1.842 56.564 54.840 -0.197 0.000 0.749 37 L CB -1.189 40.646 42.059 -0.373 0.000 0.901 37 L HN 0.344 nan 8.230 nan 0.000 0.433 38 A N -0.418 122.335 122.820 -0.111 0.000 1.883 38 A HA -0.173 4.147 4.320 0.000 0.000 0.217 38 A C 2.460 180.061 177.584 0.029 0.000 1.186 38 A CA 2.008 54.009 52.037 -0.059 0.000 0.624 38 A CB -1.225 17.716 19.000 -0.099 0.000 0.822 38 A HN 0.545 nan 8.150 nan 0.000 0.444 39 A N 0.197 123.031 122.820 0.025 0.000 1.877 39 A HA -0.115 4.205 4.320 0.000 0.000 0.216 39 A C 2.555 180.225 177.584 0.142 0.000 1.186 39 A CA 2.575 54.674 52.037 0.103 0.000 0.620 39 A CB -1.027 18.006 19.000 0.056 0.000 0.822 39 A HN 1.065 nan 8.150 nan 0.000 0.443 40 S N -0.512 115.230 115.700 0.070 0.000 2.406 40 S HA 0.057 4.528 4.470 0.000 0.000 0.228 40 S C 2.033 176.678 174.600 0.075 0.000 1.020 40 S CA 1.300 59.538 58.200 0.062 0.000 0.965 40 S CB -1.047 62.172 63.200 0.032 0.000 0.798 40 S HN 0.665 nan 8.310 nan 0.000 0.488 41 G N 1.043 109.887 108.800 0.074 0.000 2.421 41 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 41 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 41 G C 1.195 176.197 174.900 0.171 0.000 1.171 41 G CA 0.866 46.016 45.100 0.083 0.000 0.775 41 G HN 0.525 nan 8.290 nan 0.000 0.543 42 F N 1.772 121.767 119.950 0.074 0.000 2.095 42 F HA -0.071 4.457 4.527 0.001 0.000 0.298 42 F C 2.540 178.432 175.800 0.154 0.000 1.104 42 F CA 2.128 60.215 58.000 0.145 0.000 1.232 42 F CB -0.280 38.776 39.000 0.093 0.000 0.987 42 F HN 0.159 nan 8.300 nan 0.000 0.475 43 K N 0.279 120.635 120.400 -0.074 0.000 2.113 43 K HA -0.240 4.080 4.320 0.000 0.000 0.208 43 K C 2.052 178.557 176.600 -0.158 0.000 1.047 43 K CA 1.931 58.106 56.287 -0.186 0.000 0.928 43 K CB -0.096 32.397 32.500 -0.013 0.000 0.716 43 K HN 0.320 nan 8.250 nan 0.000 0.446 44 K N -0.609 119.773 120.400 -0.031 0.000 2.098 44 K HA -0.105 4.215 4.320 0.000 0.000 0.203 44 K C 1.904 178.541 176.600 0.062 0.000 1.051 44 K CA 1.080 57.380 56.287 0.022 0.000 0.957 44 K CB -0.283 32.265 32.500 0.080 0.000 0.738 44 K HN 0.344 nan 8.250 nan 0.000 0.447 45 W N 4.694 125.930 121.300 -0.107 0.000 2.363 45 W HA -0.139 4.521 4.660 0.000 0.000 0.296 45 W C 0.571 177.029 176.519 -0.102 0.000 1.212 45 W CA 1.011 58.323 57.345 -0.055 0.000 1.260 45 W CB 0.217 29.695 29.460 0.030 0.000 1.131 45 W HN -0.011 nan 8.180 nan 0.000 0.530 49 S N 0.417 116.007 115.700 -0.184 0.000 2.603 49 S HA 0.462 4.932 4.470 0.000 0.000 0.268 49 S C 1.508 175.997 174.600 -0.184 0.000 1.317 49 S CA -0.240 57.872 58.200 -0.146 0.000 1.012 49 S CB 0.920 64.063 63.200 -0.095 0.000 0.926 49 S HN 0.870 nan 8.310 nan 0.000 0.539 50 V N 1.966 121.802 119.914 -0.131 0.000 2.407 50 V HA -0.174 3.946 4.120 0.000 0.000 0.248 50 V C 2.960 178.997 176.094 -0.094 0.000 1.055 50 V CA 2.240 64.472 62.300 -0.114 0.000 1.049 50 V CB -1.862 29.926 31.823 -0.058 0.000 0.662 50 V HN 1.024 nan 8.190 nan 0.000 0.455 51 A N -0.633 122.141 122.820 -0.076 0.000 1.908 51 A HA -0.346 3.975 4.320 0.000 0.000 0.218 51 A C 2.282 179.834 177.584 -0.054 0.000 1.181 51 A CA 2.333 54.337 52.037 -0.055 0.000 0.627 51 A CB -0.568 18.405 19.000 -0.045 0.000 0.818 51 A HN 0.612 nan 8.150 nan 0.000 0.445 52 Q N -0.577 119.174 119.800 -0.082 0.000 2.050 52 Q HA -0.191 4.150 4.340 0.000 0.000 0.202 52 Q C 2.320 178.283 176.000 -0.063 0.000 0.980 52 Q CA 1.487 57.250 55.803 -0.068 0.000 0.840 52 Q CB -0.126 28.556 28.738 -0.093 0.000 0.898 52 Q HN 0.686 nan 8.270 nan 0.000 0.424 53 R N -0.163 120.224 120.500 -0.188 0.000 2.081 53 R HA -0.110 4.230 4.340 0.000 0.000 0.235 53 R C 2.313 178.654 176.300 0.068 0.000 1.131 53 R CA 1.089 57.111 56.100 -0.130 0.000 0.960 53 R CB -0.420 29.679 30.300 -0.336 0.000 0.856 53 R HN 0.286 nan 8.270 nan 0.000 0.436 54 A N 1.130 123.961 122.820 0.018 0.000 1.933 54 A HA -0.244 4.077 4.320 0.000 0.000 0.218 54 A C 2.152 179.770 177.584 0.057 0.000 1.175 54 A CA 1.480 53.544 52.037 0.045 0.000 0.628 54 A CB -0.377 18.628 19.000 0.008 0.000 0.814 54 A HN 0.214 nan 8.150 nan 0.000 0.444 55 Q N -0.242 119.585 119.800 0.045 0.000 2.079 55 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 55 Q C 1.960 178.012 176.000 0.085 0.000 0.974 55 Q CA 2.463 58.297 55.803 0.053 0.000 0.840 55 Q CB -0.966 27.796 28.738 0.039 0.000 0.898 55 Q HN 0.558 nan 8.270 nan 0.000 0.430 56 T N 1.126 115.761 114.554 0.135 0.000 2.720 56 T HA -0.144 4.207 4.350 0.000 0.000 0.268 56 T C 1.665 176.441 174.700 0.128 0.000 1.037 56 T CA 1.451 63.654 62.100 0.172 0.000 1.144 56 T CB -0.287 68.784 68.868 0.339 0.000 0.864 56 T HN 0.247 nan 8.240 nan 0.000 0.444 57 L N 0.340 121.644 121.223 0.134 0.000 2.042 57 L HA -0.131 4.209 4.340 0.000 0.000 0.210 57 L C 2.917 179.838 176.870 0.085 0.000 1.076 57 L CA 1.512 56.416 54.840 0.107 0.000 0.749 57 L CB -0.539 41.598 42.059 0.130 0.000 0.893 57 L HN 0.202 nan 8.230 nan 0.000 0.432 58 R N -0.046 120.500 120.500 0.076 0.000 2.081 58 R HA -0.160 4.180 4.340 0.000 0.000 0.235 58 R C 1.905 178.237 176.300 0.054 0.000 1.131 58 R CA 1.563 57.699 56.100 0.060 0.000 0.960 58 R CB -0.423 29.904 30.300 0.044 0.000 0.856 58 R HN 0.390 nan 8.270 nan 0.000 0.436 59 D N 0.678 121.111 120.400 0.055 0.000 2.144 59 D HA -0.123 4.517 4.640 0.000 0.000 0.199 59 D C 1.907 178.231 176.300 0.039 0.000 0.984 59 D CA 1.061 55.090 54.000 0.048 0.000 0.834 59 D CB -0.141 40.691 40.800 0.054 0.000 0.955 59 D HN 0.245 nan 8.370 nan 0.000 0.465 60 I N 0.925 121.515 120.570 0.032 0.000 2.252 60 I HA -0.148 4.022 4.170 0.000 0.000 0.245 60 I C 2.572 178.703 176.117 0.024 0.000 1.102 60 I CA 1.277 62.580 61.300 0.006 0.000 1.385 60 I CB -0.483 37.501 38.000 -0.027 0.000 1.064 60 I HN 0.011 nan 8.210 nan 0.000 0.414 61 G N 0.052 108.879 108.800 0.045 0.000 2.440 61 G HA2 -0.323 3.638 3.960 0.000 0.000 0.218 61 G HA3 -0.323 3.638 3.960 0.000 0.000 0.218 61 G C 1.562 176.492 174.900 0.050 0.000 1.154 61 G CA 0.845 45.979 45.100 0.057 0.000 0.767 61 G HN 0.443 nan 8.290 nan 0.000 0.552 62 Q N 0.221 120.048 119.800 0.045 0.000 2.050 62 Q HA -0.000 4.340 4.340 0.000 0.000 0.202 62 Q C 2.755 178.783 176.000 0.046 0.000 0.980 62 Q CA 1.705 57.531 55.803 0.039 0.000 0.840 62 Q CB -0.353 28.405 28.738 0.034 0.000 0.898 62 Q HN 0.381 nan 8.270 nan 0.000 0.424 63 A N 0.738 123.596 122.820 0.062 0.000 1.898 63 A HA -0.153 4.168 4.320 0.000 0.000 0.216 63 A C 1.996 179.676 177.584 0.159 0.000 1.181 63 A CA 1.252 53.358 52.037 0.116 0.000 0.620 63 A CB -0.726 18.330 19.000 0.093 0.000 0.819 63 A HN 0.493 nan 8.150 nan 0.000 0.442 64 L N -0.029 121.248 121.223 0.090 0.000 2.046 64 L HA -0.119 4.222 4.340 0.000 0.000 0.208 64 L C 2.424 179.343 176.870 0.081 0.000 1.077 64 L CA 1.863 56.755 54.840 0.085 0.000 0.747 64 L CB -0.596 41.494 42.059 0.052 0.000 0.896 64 L HN 0.342 nan 8.230 nan 0.000 0.432 65 R N -0.778 119.755 120.500 0.054 0.000 2.096 65 R HA -0.069 4.271 4.340 0.000 0.000 0.235 65 R C 2.171 178.467 176.300 -0.005 0.000 1.127 65 R CA 1.153 57.270 56.100 0.028 0.000 0.968 65 R CB -0.568 29.745 30.300 0.023 0.000 0.861 65 R HN 0.499 nan 8.270 nan 0.000 0.440 66 A N 0.439 123.240 122.820 -0.033 0.000 2.067 66 A HA -0.128 4.192 4.320 0.000 0.000 0.219 66 A C 1.041 178.419 177.584 -0.343 0.000 1.158 66 A CA 1.110 53.042 52.037 -0.176 0.000 0.661 66 A CB -0.199 18.675 19.000 -0.211 0.000 0.801 66 A HN 0.332 nan 8.150 nan 0.000 0.452 67 H N -1.608 117.464 119.070 0.004 0.000 2.512 67 H HA 0.440 4.996 4.556 0.000 0.000 0.276 67 H C 1.839 177.170 175.328 0.005 0.000 1.126 67 H CA 0.389 56.439 56.048 0.003 0.000 1.060 67 H CB 0.082 29.843 29.762 -0.001 0.000 1.646 67 H HN 0.505 nan 8.280 nan 0.000 0.571 68 A N 1.171 124.031 122.820 0.066 0.000 1.892 68 A HA -0.246 4.074 4.320 0.000 0.000 0.218 68 A C 2.316 179.927 177.584 0.046 0.000 1.188 68 A CA 2.174 54.243 52.037 0.053 0.000 0.631 68 A CB -0.065 18.953 19.000 0.030 0.000 0.822 68 A HN 0.318 nan 8.150 nan 0.000 0.447 69 E N 0.404 120.624 120.200 0.034 0.000 2.112 69 E HA -0.041 4.309 4.350 0.000 0.000 0.190 69 E C 1.237 177.859 176.600 0.035 0.000 0.979 69 E CA 0.832 57.248 56.400 0.027 0.000 0.814 69 E CB -0.186 29.523 29.700 0.015 0.000 0.762 69 E HN 0.700 nan 8.360 nan 0.000 0.460 73 Q N -0.096 119.713 119.800 0.015 0.000 2.084 73 Q HA -0.190 4.151 4.340 0.000 0.000 0.202 73 Q C 2.212 178.214 176.000 0.002 0.000 0.978 73 Q CA 1.839 57.647 55.803 0.008 0.000 0.844 73 Q CB -0.749 27.995 28.738 0.010 0.000 0.898 73 Q HN 0.778 nan 8.270 nan 0.000 0.426 74 C N 0.474 119.775 119.300 0.003 0.000 2.432 74 C HA -0.124 4.336 4.460 0.000 0.000 0.277 74 C C 2.762 177.745 174.990 -0.011 0.000 1.249 74 C CA 0.346 59.360 59.018 -0.007 0.000 1.725 74 C CB -1.105 26.628 27.740 -0.012 0.000 2.028 74 C HN 0.457 nan 8.230 nan 0.000 0.477 75 I N 0.427 120.997 120.570 0.001 0.000 2.127 75 I HA -0.230 3.941 4.170 0.000 0.000 0.241 75 I C 2.678 178.788 176.117 -0.011 0.000 1.075 75 I CA 2.277 63.580 61.300 0.005 0.000 1.334 75 I CB -0.889 37.126 38.000 0.025 0.000 1.040 75 I HN 0.338 nan 8.210 nan 0.000 0.405 76 T N 0.080 114.626 114.554 -0.014 0.000 2.708 76 T HA -0.231 4.119 4.350 0.000 0.000 0.266 76 T C 2.014 176.694 174.700 -0.033 0.000 1.037 76 T CA 1.533 63.618 62.100 -0.025 0.000 1.146 76 T CB -0.301 68.557 68.868 -0.016 0.000 0.865 76 T HN 0.289 nan 8.240 nan 0.000 0.435 77 R N 1.063 121.548 120.500 -0.024 0.000 2.083 77 R HA -0.040 4.300 4.340 0.000 0.000 0.237 77 R C 1.047 177.323 176.300 -0.040 0.000 1.137 77 R CA 1.153 57.238 56.100 -0.026 0.000 0.951 77 R CB 0.019 30.309 30.300 -0.017 0.000 0.851 77 R HN 0.489 nan 8.270 nan 0.000 0.434 81 K N 1.775 122.131 120.400 -0.074 0.000 2.451 81 K HA 0.318 4.639 4.320 0.000 0.000 0.280 81 K C -2.280 174.292 176.600 -0.047 0.000 1.020 81 K CA -1.206 55.038 56.287 -0.071 0.000 1.008 81 K CB 0.566 33.013 32.500 -0.089 0.000 0.917 81 K HN -0.083 nan 8.250 nan 0.000 0.478 82 P HA -0.133 nan 4.420 nan 0.000 0.263 82 P C 0.463 177.753 177.300 -0.017 0.000 1.175 82 P CA 0.104 63.193 63.100 -0.018 0.000 0.761 82 P CB 0.376 32.068 31.700 -0.014 0.000 0.794 83 I N 4.609 125.173 120.570 -0.010 0.000 2.264 83 I HA -0.250 3.921 4.170 0.000 0.000 0.248 83 I C 2.073 178.186 176.117 -0.006 0.000 1.111 83 I CA 1.786 63.082 61.300 -0.007 0.000 1.382 83 I CB -0.425 37.573 38.000 -0.003 0.000 1.060 83 I HN 0.321 nan 8.210 nan 0.000 0.418 84 K N -0.079 120.316 120.400 -0.009 0.000 2.097 84 K HA -0.228 4.092 4.320 0.000 0.000 0.206 84 K C 2.046 178.641 176.600 -0.009 0.000 1.049 84 K CA 1.706 57.987 56.287 -0.010 0.000 0.933 84 K CB -0.143 32.349 32.500 -0.014 0.000 0.717 84 K HN 0.500 nan 8.250 nan 0.000 0.442 85 Q N -0.373 119.421 119.800 -0.010 0.000 2.172 85 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 85 Q C 2.130 178.134 176.000 0.006 0.000 0.964 85 Q CA 1.098 56.898 55.803 -0.006 0.000 0.855 85 Q CB -0.031 28.698 28.738 -0.016 0.000 0.918 85 Q HN 0.419 nan 8.270 nan 0.000 0.444 86 A N 1.461 124.281 122.820 -0.001 0.000 1.902 86 A HA -0.197 4.124 4.320 0.000 0.000 0.217 86 A C 2.013 179.614 177.584 0.029 0.000 1.181 86 A CA 1.275 53.322 52.037 0.016 0.000 0.623 86 A CB -0.348 18.655 19.000 0.006 0.000 0.818 86 A HN 0.191 nan 8.150 nan 0.000 0.443 87 R N -0.485 120.024 120.500 0.016 0.000 2.081 87 R HA -0.069 4.271 4.340 0.000 0.000 0.235 87 R C 2.443 178.750 176.300 0.012 0.000 1.131 87 R CA 1.214 57.323 56.100 0.015 0.000 0.960 87 R CB -0.472 29.831 30.300 0.006 0.000 0.856 87 R HN 0.508 nan 8.270 nan 0.000 0.436 88 A N 1.065 123.885 122.820 0.001 0.000 1.933 88 A HA -0.230 4.090 4.320 0.000 0.000 0.218 88 A C 2.042 179.614 177.584 -0.019 0.000 1.175 88 A CA 1.546 53.571 52.037 -0.019 0.000 0.628 88 A CB -0.416 18.564 19.000 -0.033 0.000 0.814 88 A HN 0.445 nan 8.150 nan 0.000 0.444 89 E N -0.127 120.092 120.200 0.031 0.000 2.077 89 E HA -0.132 4.218 4.350 0.000 0.000 0.193 89 E C 1.822 178.481 176.600 0.098 0.000 0.989 89 E CA 1.447 57.897 56.400 0.083 0.000 0.800 89 E CB -0.128 29.696 29.700 0.207 0.000 0.746 89 E HN 0.324 nan 8.360 nan 0.000 0.452 90 V N 0.837 120.800 119.914 0.082 0.000 2.295 90 V HA -0.254 3.866 4.120 0.000 0.000 0.246 90 V C 2.401 178.534 176.094 0.065 0.000 1.049 90 V CA 2.180 64.529 62.300 0.082 0.000 1.024 90 V CB -0.800 31.060 31.823 0.062 0.000 0.648 90 V HN 0.384 nan 8.190 nan 0.000 0.447 91 T N -0.460 114.114 114.554 0.033 0.000 2.684 91 T HA -0.269 4.081 4.350 0.000 0.000 0.267 91 T C 1.968 176.678 174.700 0.018 0.000 1.036 91 T CA 1.958 64.069 62.100 0.020 0.000 1.148 91 T CB -0.228 68.638 68.868 -0.004 0.000 0.863 91 T HN 0.442 nan 8.240 nan 0.000 0.436 92 K N 0.711 121.093 120.400 -0.030 0.000 2.057 92 K HA -0.092 4.228 4.320 0.000 0.000 0.207 92 K C 2.535 179.200 176.600 0.108 0.000 1.049 92 K CA 1.439 57.673 56.287 -0.089 0.000 0.931 92 K CB -0.124 32.149 32.500 -0.379 0.000 0.714 92 K HN 0.188 nan 8.250 nan 0.000 0.440 93 S N 0.499 116.330 115.700 0.218 0.000 2.368 93 S HA -0.110 4.360 4.470 0.000 0.000 0.224 93 S C 2.032 176.755 174.600 0.205 0.000 1.029 93 S CA 1.115 59.515 58.200 0.333 0.000 0.988 93 S CB -0.217 63.152 63.200 0.282 0.000 0.838 93 S HN 0.515 nan 8.310 nan 0.000 0.462 94 A N 1.621 124.524 122.820 0.138 0.000 1.933 94 A HA 0.146 4.467 4.320 0.000 0.000 0.218 94 A C 2.346 180.009 177.584 0.132 0.000 1.175 94 A CA 1.614 53.718 52.037 0.111 0.000 0.628 94 A CB -1.033 18.014 19.000 0.079 0.000 0.814 94 A HN 0.506 nan 8.150 nan 0.000 0.444 95 A N -0.405 122.494 122.820 0.132 0.000 1.933 95 A HA -0.043 4.278 4.320 0.000 0.000 0.218 95 A C 2.114 179.833 177.584 0.226 0.000 1.175 95 A CA 1.674 53.799 52.037 0.147 0.000 0.628 95 A CB -0.610 18.449 19.000 0.097 0.000 0.814 95 A HN 0.713 nan 8.150 nan 0.000 0.444 96 L N -0.097 121.282 121.223 0.260 0.000 2.042 96 L HA -0.210 4.130 4.340 0.000 0.000 0.210 96 L C 2.475 179.573 176.870 0.381 0.000 1.076 96 L CA 2.336 57.383 54.840 0.345 0.000 0.749 96 L CB -0.846 41.447 42.059 0.391 0.000 0.893 96 L HN 0.472 nan 8.230 nan 0.000 0.432 97 C N -0.120 119.338 119.300 0.264 0.000 2.413 97 C HA -0.171 4.289 4.460 0.000 0.000 0.277 97 C C 2.395 177.524 174.990 0.231 0.000 1.228 97 C CA 0.949 60.099 59.018 0.219 0.000 1.731 97 C CB -1.195 26.623 27.740 0.130 0.000 2.042 97 C HN 0.604 nan 8.230 nan 0.000 0.468 98 D N -1.011 119.510 120.400 0.201 0.000 2.144 98 D HA -0.154 4.486 4.640 0.000 0.000 0.199 98 D C 1.704 178.117 176.300 0.188 0.000 0.984 98 D CA 1.120 55.216 54.000 0.160 0.000 0.834 98 D CB -0.440 40.438 40.800 0.130 0.000 0.955 98 D HN 0.756 nan 8.370 nan 0.000 0.465 99 W N 0.729 122.089 121.300 0.100 0.000 2.354 99 W HA -0.243 4.417 4.660 0.001 0.000 0.315 99 W C 2.184 178.745 176.519 0.069 0.000 1.206 99 W CA 1.434 58.840 57.345 0.101 0.000 1.290 99 W CB -0.691 28.787 29.460 0.029 0.000 1.152 99 W HN -0.022 nan 8.180 nan 0.000 0.489 100 Y N 0.087 120.640 120.300 0.422 0.000 2.224 100 Y HA -0.226 4.324 4.550 0.001 0.000 0.289 100 Y C 2.572 178.483 175.900 0.019 0.000 1.146 100 Y CA 1.814 60.044 58.100 0.215 0.000 1.182 100 Y CB -1.036 37.577 38.460 0.255 0.000 0.983 100 Y HN 0.047 nan 8.280 nan 0.000 0.524 101 A N -0.134 122.785 122.820 0.165 0.000 1.940 101 A HA -0.261 4.059 4.320 0.000 0.000 0.219 101 A C 2.120 179.652 177.584 -0.087 0.000 1.176 101 A CA 2.036 54.102 52.037 0.050 0.000 0.631 101 A CB -0.578 18.452 19.000 0.050 0.000 0.814 101 A HN 0.563 nan 8.150 nan 0.000 0.446 102 E N -1.560 118.506 120.200 -0.225 0.000 2.060 102 E HA -0.151 4.200 4.350 0.000 0.000 0.189 102 E C 1.693 177.929 176.600 -0.606 0.000 0.974 102 E CA 0.815 56.941 56.400 -0.457 0.000 0.808 102 E CB -0.122 29.172 29.700 -0.677 0.000 0.768 102 E HN 0.763 nan 8.360 nan 0.000 0.453 103 H N -1.382 117.365 119.070 -0.539 0.000 2.595 103 H HA 0.164 4.721 4.556 0.001 0.000 0.265 103 H C 1.861 176.962 175.328 -0.378 0.000 0.953 103 H CA 0.757 56.421 56.048 -0.641 0.000 1.197 103 H CB 0.572 29.514 29.762 -1.367 0.000 1.438 103 H HN 0.288 nan 8.280 nan 0.000 0.531 104 G N 2.299 111.038 108.800 -0.102 0.000 2.402 104 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 104 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 104 G C -0.597 174.330 174.900 0.046 0.000 1.162 104 G CA 0.157 45.328 45.100 0.119 0.000 0.777 104 G HN 0.327 nan 8.290 nan 0.000 0.539 105 P HA 0.006 nan 4.420 nan 0.000 0.216 105 P C 1.414 178.707 177.300 -0.012 0.000 1.153 105 P CA 1.487 64.582 63.100 -0.009 0.000 0.858 105 P CB -0.085 31.594 31.700 -0.035 0.000 0.789 109 N N 3.399 122.146 118.700 0.079 0.000 2.454 109 N HA 0.177 4.918 4.740 0.000 0.000 0.254 109 N C -2.180 173.413 175.510 0.139 0.000 1.228 109 N CA -0.710 52.386 53.050 0.077 0.000 0.900 109 N CB 0.307 38.816 38.487 0.036 0.000 1.089 109 N HN 0.015 nan 8.380 nan 0.000 0.449 110 P HA 0.046 nan 4.420 nan 0.000 0.267 110 P C -0.606 176.724 177.300 0.049 0.000 1.200 110 P CA 0.210 63.349 63.100 0.065 0.000 0.772 110 P CB 0.807 32.514 31.700 0.011 0.000 0.855 111 E N 3.114 123.325 120.200 0.018 0.000 2.197 111 E HA 0.283 4.633 4.350 0.000 0.000 0.281 111 E C -1.938 174.631 176.600 -0.052 0.000 0.995 111 E CA -2.025 54.374 56.400 -0.002 0.000 0.808 111 E CB 0.734 30.430 29.700 -0.007 0.000 1.093 111 E HN 0.411 nan 8.360 nan 0.000 0.394 112 P HA -0.003 nan 4.420 nan 0.000 0.272 112 P C -0.379 176.862 177.300 -0.099 0.000 1.240 112 P CA -0.196 62.859 63.100 -0.075 0.000 0.791 112 P CB 0.829 32.494 31.700 -0.058 0.000 0.978 113 T N -2.584 111.889 114.554 -0.135 0.000 2.888 113 T HA 0.407 4.758 4.350 0.000 0.000 0.288 113 T C 1.102 175.713 174.700 -0.148 0.000 1.063 113 T CA -0.875 61.130 62.100 -0.159 0.000 1.010 113 T CB 0.520 69.242 68.868 -0.244 0.000 1.214 113 T HN 0.150 nan 8.240 nan 0.000 0.533 114 L N 0.867 122.007 121.223 -0.138 0.000 2.610 114 L HA 0.194 4.535 4.340 0.000 0.000 0.232 114 L C 0.611 177.400 176.870 -0.135 0.000 1.149 114 L CA -0.153 54.621 54.840 -0.110 0.000 0.872 114 L CB -0.200 41.813 42.059 -0.077 0.000 0.992 114 L HN 0.471 nan 8.230 nan 0.000 0.447 115 V N 1.051 120.826 119.914 -0.231 0.000 2.599 115 V HA -0.092 4.029 4.120 0.000 0.000 0.300 115 V C 0.784 176.784 176.094 -0.157 0.000 1.034 115 V CA -0.041 62.100 62.300 -0.264 0.000 1.115 115 V CB 0.393 31.845 31.823 -0.619 0.000 0.934 115 V HN 0.289 nan 8.190 nan 0.000 0.485 116 E N 3.967 124.125 120.200 -0.070 0.000 2.398 116 E HA 0.070 4.421 4.350 0.000 0.000 0.263 116 E C 0.847 177.428 176.600 -0.032 0.000 1.046 116 E CA 0.124 56.502 56.400 -0.036 0.000 0.908 116 E CB 0.056 29.755 29.700 -0.001 0.000 0.963 116 E HN 0.714 nan 8.360 nan 0.000 0.431 117 N N 1.985 120.668 118.700 -0.028 0.000 2.776 117 N HA -0.236 4.504 4.740 0.000 0.000 0.249 117 N C -1.083 174.412 175.510 -0.025 0.000 1.111 117 N CA 1.078 54.119 53.050 -0.016 0.000 0.711 117 N CB -1.054 37.435 38.487 0.005 0.000 1.065 117 N HN 0.631 nan 8.380 nan 0.000 0.556 118 Q N -2.307 117.462 119.800 -0.052 0.000 2.475 118 Q HA -0.252 4.088 4.340 0.000 0.000 0.280 118 Q C 0.575 176.539 176.000 -0.060 0.000 1.234 118 Q CA 1.481 57.247 55.803 -0.062 0.000 0.873 118 Q CB -1.372 27.343 28.738 -0.038 0.000 1.256 118 Q HN 0.627 nan 8.270 nan 0.000 0.475 119 Q N -1.545 118.206 119.800 -0.083 0.000 2.402 119 Q HA 0.391 4.731 4.340 0.000 0.000 0.206 119 Q C 0.214 176.135 176.000 -0.131 0.000 0.919 119 Q CA 1.123 56.908 55.803 -0.029 0.000 0.923 119 Q CB 0.873 29.665 28.738 0.090 0.000 1.048 119 Q HN 0.482 nan 8.270 nan 0.000 0.515 120 A N 0.671 123.291 122.820 -0.333 0.000 2.398 120 A HA 0.634 4.954 4.320 0.000 0.000 0.301 120 A C -0.430 176.994 177.584 -0.265 0.000 1.041 120 A CA -0.641 51.145 52.037 -0.417 0.000 0.711 120 A CB 1.498 19.878 19.000 -1.035 0.000 1.240 120 A HN -0.005 nan 8.150 nan 0.000 0.420 121 V N -0.230 119.585 119.914 -0.165 0.000 3.074 121 V HA 0.793 4.913 4.120 0.000 0.000 0.314 121 V C -0.809 175.203 176.094 -0.137 0.000 1.117 121 V CA -1.079 61.140 62.300 -0.134 0.000 1.014 121 V CB 1.852 33.624 31.823 -0.084 0.000 1.057 121 V HN 0.649 nan 8.190 nan 0.000 0.438 122 I N 1.864 122.341 120.570 -0.156 0.000 2.354 122 I HA 0.609 4.780 4.170 0.000 0.000 0.292 122 I C -0.010 175.946 176.117 -0.267 0.000 0.989 122 I CA -0.288 60.875 61.300 -0.229 0.000 1.188 122 I CB 1.332 39.153 38.000 -0.297 0.000 1.342 122 I HN 0.785 nan 8.210 nan 0.000 0.457 123 E N 5.192 125.230 120.200 -0.269 0.000 2.207 123 E HA 0.361 4.711 4.350 0.000 0.000 0.270 123 E C -1.428 174.974 176.600 -0.329 0.000 0.927 123 E CA -0.673 55.609 56.400 -0.196 0.000 0.799 123 E CB 2.284 31.940 29.700 -0.072 0.000 1.172 123 E HN 0.307 nan 8.360 nan 0.000 0.404 124 Y N 1.937 122.223 120.300 -0.023 0.000 2.595 124 Y HA 0.213 4.763 4.550 0.000 0.000 0.336 124 Y C 0.474 176.401 175.900 0.045 0.000 0.996 124 Y CA -0.623 57.473 58.100 -0.007 0.000 1.260 124 Y CB 0.594 39.047 38.460 -0.012 0.000 1.108 124 Y HN 0.008 nan 8.280 nan 0.000 0.509 125 R N 3.009 123.593 120.500 0.140 0.000 2.500 125 R HA 0.427 4.767 4.340 0.000 0.000 0.277 125 R C -2.718 173.700 176.300 0.197 0.000 1.026 125 R CA -2.636 53.548 56.100 0.140 0.000 1.058 125 R CB 0.155 30.516 30.300 0.101 0.000 1.078 125 R HN 0.322 nan 8.270 nan 0.000 0.509 126 P HA -0.033 nan 4.420 nan 0.000 0.267 126 P C 0.470 177.958 177.300 0.313 0.000 1.200 126 P CA -0.099 63.197 63.100 0.327 0.000 0.772 126 P CB 0.552 32.520 31.700 0.446 0.000 0.855 127 L N 2.136 123.492 121.223 0.222 0.000 2.200 127 L HA 0.403 4.743 4.340 0.000 0.000 0.200 127 L C 1.187 177.945 176.870 -0.186 0.000 1.072 127 L CA 2.182 57.075 54.840 0.088 0.000 0.787 127 L CB -0.901 41.227 42.059 0.115 0.000 0.957 127 L HN 0.717 nan 8.230 nan 0.000 0.459 128 G N -1.817 106.628 108.800 -0.591 0.000 2.439 128 G HA2 0.094 4.054 3.960 0.000 0.000 0.186 128 G HA3 0.094 4.054 3.960 0.000 0.000 0.186 128 G C -1.487 172.899 174.900 -0.857 0.000 1.260 128 G CA -0.257 43.981 45.100 -1.437 0.000 1.020 128 G HN -0.094 nan 8.290 nan 0.000 0.470 129 V N 2.072 121.657 119.914 -0.548 0.000 2.461 129 V HA 0.474 4.595 4.120 0.000 0.000 0.275 129 V C 0.098 176.039 176.094 -0.256 0.000 1.047 129 V CA -0.542 61.580 62.300 -0.297 0.000 0.955 129 V CB 1.161 32.859 31.823 -0.208 0.000 0.988 129 V HN 0.494 nan 8.190 nan 0.000 0.471 130 I N 5.872 126.281 120.570 -0.269 0.000 2.321 130 I HA 0.320 4.490 4.170 0.000 0.000 0.291 130 I C -0.134 175.731 176.117 -0.421 0.000 0.998 130 I CA -0.760 60.322 61.300 -0.363 0.000 1.227 130 I CB 1.204 38.883 38.000 -0.535 0.000 1.368 130 I HN 0.451 nan 8.210 nan 0.000 0.466 131 L N 6.719 127.733 121.223 -0.348 0.000 2.331 131 L HA 0.647 4.987 4.340 0.000 0.000 0.278 131 L C 0.081 176.710 176.870 -0.401 0.000 1.106 131 L CA 0.163 54.794 54.840 -0.348 0.000 0.824 131 L CB 0.923 42.853 42.059 -0.215 0.000 1.142 131 L HN 0.732 nan 8.230 nan 0.000 0.443 132 A N 6.505 129.023 122.820 -0.503 0.000 2.330 132 A HA 0.789 5.110 4.320 0.000 0.000 0.313 132 A C -0.651 176.785 177.584 -0.247 0.000 1.124 132 A CA -0.506 51.266 52.037 -0.442 0.000 0.774 132 A CB 0.569 19.101 19.000 -0.780 0.000 1.198 132 A HN 0.728 nan 8.150 nan 0.000 0.465 136 W N 0.917 122.322 121.300 0.175 0.000 3.197 136 W HA 0.027 4.688 4.660 0.000 0.000 0.274 136 W C 0.825 177.401 176.519 0.096 0.000 1.297 136 W CA 0.709 58.111 57.345 0.096 0.000 1.662 136 W CB -0.943 28.538 29.460 0.034 0.000 1.106 136 W HN 0.379 nan 8.180 nan 0.000 0.663 137 N N 1.883 120.423 118.700 -0.267 0.000 2.270 137 N HA -0.164 4.576 4.740 0.000 0.000 0.181 137 N C -0.250 175.129 175.510 -0.218 0.000 1.016 137 N CA 0.730 53.662 53.050 -0.196 0.000 0.870 137 N CB -1.068 37.189 38.487 -0.383 0.000 0.979 137 N HN 0.080 nan 8.380 nan 0.000 0.431 138 F N 0.241 120.263 119.950 0.121 0.000 2.686 138 F HA 0.434 4.961 4.527 0.000 0.000 0.365 138 F C -1.809 174.118 175.800 0.211 0.000 1.196 138 F CA -2.080 56.030 58.000 0.183 0.000 1.198 138 F CB 2.207 41.367 39.000 0.266 0.000 1.454 138 F HN -0.136 nan 8.300 nan 0.000 0.539 139 P HA -0.148 nan 4.420 nan 0.000 0.222 139 P C 1.523 179.040 177.300 0.362 0.000 1.147 139 P CA 0.908 64.207 63.100 0.333 0.000 0.790 139 P CB 0.580 32.356 31.700 0.127 0.000 0.780 140 L N -1.926 119.465 121.223 0.280 0.000 2.262 140 L HA 0.210 4.550 4.340 0.000 0.000 0.197 140 L C 2.208 179.202 176.870 0.207 0.000 1.073 140 L CA 0.944 55.909 54.840 0.209 0.000 0.800 140 L CB -1.401 40.762 42.059 0.173 0.000 0.987 140 L HN -0.039 nan 8.230 nan 0.000 0.470 141 W N 0.786 122.158 121.300 0.118 0.000 2.338 141 W HA -0.259 4.401 4.660 0.001 0.000 0.304 141 W C 2.003 178.519 176.519 -0.006 0.000 1.212 141 W CA 1.933 59.298 57.345 0.035 0.000 1.264 141 W CB -0.148 29.310 29.460 -0.003 0.000 1.142 141 W HN 0.356 nan 8.180 nan 0.000 0.512 142 Q N 0.111 119.874 119.800 -0.061 0.000 2.167 142 Q HA -0.176 4.165 4.340 0.000 0.000 0.202 142 Q C 2.219 178.087 176.000 -0.221 0.000 0.970 142 Q CA 2.038 57.704 55.803 -0.228 0.000 0.855 142 Q CB -0.262 28.487 28.738 0.017 0.000 0.911 142 Q HN 0.137 nan 8.270 nan 0.000 0.438 143 V N 0.607 120.446 119.914 -0.125 0.000 2.270 143 V HA -0.251 3.869 4.120 0.000 0.000 0.245 143 V C 2.041 177.985 176.094 -0.250 0.000 1.043 143 V CA 1.573 63.807 62.300 -0.109 0.000 1.014 143 V CB -0.430 31.366 31.823 -0.045 0.000 0.645 143 V HN 0.385 nan 8.190 nan 0.000 0.447 144 L N -0.486 120.574 121.223 -0.272 0.000 2.217 144 L HA -0.092 4.248 4.340 0.000 0.000 0.211 144 L C 2.668 179.281 176.870 -0.429 0.000 1.107 144 L CA 1.158 55.809 54.840 -0.316 0.000 0.783 144 L CB -0.635 41.318 42.059 -0.177 0.000 0.919 144 L HN 0.290 nan 8.230 nan 0.000 0.442 145 R N 0.544 120.626 120.500 -0.697 0.000 2.103 145 R HA -0.181 4.159 4.340 0.000 0.000 0.242 145 R C 2.144 178.219 176.300 -0.375 0.000 1.142 145 R CA 1.851 57.467 56.100 -0.807 0.000 0.960 145 R CB -0.314 29.314 30.300 -1.120 0.000 0.858 145 R HN 0.390 nan 8.270 nan 0.000 0.439 146 G N -0.939 107.699 108.800 -0.270 0.000 2.441 146 G HA2 -0.055 3.905 3.960 0.000 0.000 0.212 146 G HA3 -0.055 3.905 3.960 0.000 0.000 0.212 146 G C 1.450 176.241 174.900 -0.183 0.000 1.164 146 G CA 0.413 45.452 45.100 -0.102 0.000 0.811 146 G HN 0.431 nan 8.290 nan 0.000 0.535 147 A N 0.459 123.012 122.820 -0.444 0.000 1.933 147 A HA 0.071 4.391 4.320 0.000 0.000 0.218 147 A C 2.571 179.943 177.584 -0.353 0.000 1.175 147 A CA 1.794 53.384 52.037 -0.744 0.000 0.628 147 A CB -0.649 17.650 19.000 -1.167 0.000 0.814 147 A HN 0.226 nan 8.150 nan 0.000 0.444 148 V N 1.113 120.849 119.914 -0.296 0.000 2.233 148 V HA -0.169 3.952 4.120 0.000 0.000 0.247 148 V C -0.026 175.889 176.094 -0.298 0.000 1.050 148 V CA 2.558 64.727 62.300 -0.219 0.000 1.010 148 V CB -1.500 30.246 31.823 -0.129 0.000 0.637 148 V HN 0.465 nan 8.190 nan 0.000 0.444 149 P HA -0.116 nan 4.420 nan 0.000 0.217 149 P C 1.868 179.108 177.300 -0.100 0.000 1.151 149 P CA 1.540 64.342 63.100 -0.496 0.000 0.828 149 P CB -0.029 31.320 31.700 -0.585 0.000 0.788 150 I N -1.019 119.540 120.570 -0.018 0.000 2.163 150 I HA -0.258 3.913 4.170 0.000 0.000 0.243 150 I C 2.393 178.616 176.117 0.176 0.000 1.085 150 I CA 1.277 62.643 61.300 0.111 0.000 1.347 150 I CB -0.690 37.368 38.000 0.097 0.000 1.044 150 I HN -0.120 nan 8.210 nan 0.000 0.408 151 L N -0.314 121.000 121.223 0.152 0.000 2.056 151 L HA -0.200 4.140 4.340 0.000 0.000 0.207 151 L C 2.257 179.402 176.870 0.458 0.000 1.078 151 L CA 1.479 56.531 54.840 0.353 0.000 0.749 151 L CB -0.716 41.477 42.059 0.222 0.000 0.901 151 L HN 0.192 nan 8.230 nan 0.000 0.433 152 L N -0.363 120.990 121.223 0.216 0.000 2.083 152 L HA -0.122 4.218 4.340 0.000 0.000 0.209 152 L C 2.391 179.330 176.870 0.115 0.000 1.083 152 L CA 1.896 56.821 54.840 0.141 0.000 0.752 152 L CB -0.840 41.261 42.059 0.070 0.000 0.899 152 L HN 0.212 nan 8.230 nan 0.000 0.433 153 A N -1.048 121.865 122.820 0.154 0.000 2.172 153 A HA 0.252 4.572 4.320 0.000 0.000 0.216 153 A C 1.810 179.513 177.584 0.198 0.000 1.154 153 A CA 1.001 53.145 52.037 0.178 0.000 0.701 153 A CB -0.945 18.188 19.000 0.221 0.000 0.789 153 A HN 0.907 nan 8.150 nan 0.000 0.465 154 G N -1.328 107.616 108.800 0.240 0.000 2.163 154 G HA2 -0.222 3.739 3.960 0.000 0.000 0.213 154 G HA3 -0.222 3.739 3.960 0.000 0.000 0.213 154 G C -0.099 175.176 174.900 0.625 0.000 0.991 154 G CA 0.080 45.312 45.100 0.220 0.000 0.653 154 G HN 0.646 nan 8.290 nan 0.000 0.518 155 N N 0.256 119.301 118.700 0.577 0.000 2.463 155 N HA 0.610 5.351 4.740 0.000 0.000 0.270 155 N C 0.250 176.023 175.510 0.438 0.000 1.205 155 N CA 0.006 53.341 53.050 0.474 0.000 0.974 155 N CB 0.912 39.524 38.487 0.209 0.000 1.197 155 N HN 0.151 nan 8.380 nan 0.000 0.504 156 S N 0.166 116.017 115.700 0.253 0.000 2.646 156 S HA 0.272 4.742 4.470 0.000 0.000 0.276 156 S C -1.184 173.438 174.600 0.037 0.000 1.222 156 S CA -0.427 57.821 58.200 0.080 0.000 1.014 156 S CB 0.457 63.690 63.200 0.056 0.000 0.991 156 S HN 0.468 nan 8.310 nan 0.000 0.533 157 Y N 1.832 122.046 120.300 -0.143 0.000 2.361 157 Y HA 0.614 5.164 4.550 0.000 0.000 0.337 157 Y C -1.393 174.339 175.900 -0.279 0.000 0.965 157 Y CA -1.034 56.953 58.100 -0.188 0.000 1.091 157 Y CB 0.946 39.340 38.460 -0.110 0.000 1.182 157 Y HN 0.489 nan 8.280 nan 0.000 0.450 158 L N 8.085 129.007 121.223 -0.501 0.000 2.342 158 L HA 0.522 4.862 4.340 0.000 0.000 0.276 158 L C -1.978 174.600 176.870 -0.486 0.000 0.997 158 L CA -0.778 53.820 54.840 -0.403 0.000 0.838 158 L CB 1.196 43.089 42.059 -0.276 0.000 1.224 158 L HN 0.707 nan 8.230 nan 0.000 0.416 159 L N 5.112 126.133 121.223 -0.337 0.000 2.292 159 L HA 0.500 4.841 4.340 0.000 0.000 0.284 159 L C -0.416 176.462 176.870 0.014 0.000 1.065 159 L CA 0.174 54.904 54.840 -0.183 0.000 0.806 159 L CB 0.614 42.695 42.059 0.036 0.000 1.175 159 L HN 0.607 nan 8.230 nan 0.000 0.431 160 K N 4.929 125.329 120.400 -0.001 0.000 2.389 160 K HA 0.247 4.567 4.320 0.000 0.000 0.261 160 K C -1.067 175.648 176.600 0.192 0.000 1.014 160 K CA -0.412 55.951 56.287 0.126 0.000 0.920 160 K CB 0.358 32.887 32.500 0.049 0.000 1.149 160 K HN 0.903 nan 8.250 nan 0.000 0.444 161 H N 0.929 120.147 119.070 0.247 0.000 2.508 161 H HA 0.396 4.953 4.556 0.000 0.000 0.358 161 H C -0.085 175.373 175.328 0.217 0.000 1.212 161 H CA -0.528 55.640 56.048 0.200 0.000 1.356 161 H CB 1.413 31.270 29.762 0.157 0.000 1.525 161 H HN 0.755 nan 8.280 nan 0.000 0.578 162 A N 3.139 126.260 122.820 0.500 0.000 2.540 162 A HA 0.041 4.361 4.320 0.000 0.000 0.239 162 A C -1.577 176.160 177.584 0.255 0.000 1.061 162 A CA -0.980 51.260 52.037 0.338 0.000 0.758 162 A CB -0.074 19.160 19.000 0.391 0.000 0.991 162 A HN 0.697 nan 8.150 nan 0.000 0.502 163 P HA -0.123 nan 4.420 nan 0.000 0.230 163 P C 0.530 177.908 177.300 0.130 0.000 1.158 163 P CA 1.049 64.308 63.100 0.266 0.000 0.769 163 P CB -0.007 31.932 31.700 0.398 0.000 0.807 164 N N 0.337 119.097 118.700 0.099 0.000 2.336 164 N HA -0.014 4.726 4.740 0.000 0.000 0.189 164 N C 0.871 176.369 175.510 -0.020 0.000 1.113 164 N CA 0.449 53.506 53.050 0.012 0.000 0.858 164 N CB -0.446 38.004 38.487 -0.062 0.000 0.970 164 N HN 0.137 nan 8.380 nan 0.000 0.471 165 V N -2.289 117.602 119.914 -0.039 0.000 2.915 165 V HA 0.287 4.407 4.120 0.000 0.000 0.364 165 V C 1.553 177.542 176.094 -0.176 0.000 1.354 165 V CA 0.138 62.355 62.300 -0.139 0.000 1.213 165 V CB -0.600 31.081 31.823 -0.236 0.000 1.268 165 V HN 0.193 nan 8.190 nan 0.000 0.557 166 T N -2.188 112.331 114.554 -0.057 0.000 2.881 166 T HA -0.052 4.298 4.350 0.000 0.000 0.270 166 T C 1.969 176.605 174.700 -0.107 0.000 1.068 166 T CA 1.825 63.910 62.100 -0.025 0.000 1.131 166 T CB -0.512 68.461 68.868 0.175 0.000 0.871 166 T HN 0.694 nan 8.240 nan 0.000 0.479 167 G N 0.489 109.245 108.800 -0.072 0.000 2.421 167 G HA2 -0.203 3.758 3.960 0.000 0.000 0.216 167 G HA3 -0.203 3.758 3.960 0.000 0.000 0.216 167 G C 1.861 176.691 174.900 -0.118 0.000 1.171 167 G CA 0.941 46.000 45.100 -0.069 0.000 0.775 167 G HN 0.624 nan 8.290 nan 0.000 0.543 168 C N 0.980 120.202 119.300 -0.131 0.000 2.413 168 C HA 0.115 4.575 4.460 0.000 0.000 0.276 168 C C 3.552 178.433 174.990 -0.183 0.000 1.248 168 C CA 0.901 59.845 59.018 -0.122 0.000 1.742 168 C CB -1.045 26.636 27.740 -0.099 0.000 2.017 168 C HN 0.577 nan 8.230 nan 0.000 0.481 169 A N -0.028 122.607 122.820 -0.308 0.000 1.883 169 A HA -0.158 4.163 4.320 0.000 0.000 0.217 169 A C 1.422 178.501 177.584 -0.841 0.000 1.186 169 A CA 1.207 52.903 52.037 -0.569 0.000 0.624 169 A CB -0.609 17.842 19.000 -0.915 0.000 0.822 169 A HN 0.774 nan 8.150 nan 0.000 0.444 173 A N 1.585 124.359 122.820 -0.077 0.000 1.908 173 A HA -0.155 4.166 4.320 0.000 0.000 0.218 173 A C 2.170 179.773 177.584 0.033 0.000 1.181 173 A CA 1.961 54.059 52.037 0.103 0.000 0.627 173 A CB -0.554 18.613 19.000 0.280 0.000 0.818 173 A HN 0.367 nan 8.150 nan 0.000 0.445 174 R N -0.704 119.784 120.500 -0.019 0.000 2.096 174 R HA -0.039 4.301 4.340 0.000 0.000 0.235 174 R C 1.989 178.220 176.300 -0.114 0.000 1.127 174 R CA 1.530 57.600 56.100 -0.050 0.000 0.968 174 R CB -0.484 29.769 30.300 -0.079 0.000 0.861 174 R HN 0.583 nan 8.270 nan 0.000 0.440 175 I N 0.493 120.963 120.570 -0.167 0.000 2.252 175 I HA -0.266 3.905 4.170 0.000 0.000 0.245 175 I C 1.889 177.940 176.117 -0.111 0.000 1.102 175 I CA 1.053 62.254 61.300 -0.165 0.000 1.385 175 I CB -0.137 37.773 38.000 -0.151 0.000 1.064 175 I HN 0.067 nan 8.210 nan 0.000 0.414 176 L N 0.541 121.666 121.223 -0.162 0.000 2.141 176 L HA -0.104 4.236 4.340 0.000 0.000 0.209 176 L C 2.616 179.443 176.870 -0.071 0.000 1.094 176 L CA 1.753 56.488 54.840 -0.176 0.000 0.763 176 L CB -0.899 40.923 42.059 -0.394 0.000 0.908 176 L HN 0.179 nan 8.230 nan 0.000 0.437 177 A N -0.794 122.011 122.820 -0.025 0.000 1.898 177 A HA -0.252 4.068 4.320 0.000 0.000 0.216 177 A C 2.335 179.927 177.584 0.013 0.000 1.181 177 A CA 1.703 53.749 52.037 0.015 0.000 0.620 177 A CB -0.554 18.471 19.000 0.042 0.000 0.819 177 A HN 0.484 nan 8.150 nan 0.000 0.442 178 E N 0.029 120.230 120.200 0.003 0.000 2.118 178 E HA -0.145 4.205 4.350 0.000 0.000 0.195 178 E C 1.920 178.540 176.600 0.035 0.000 0.992 178 E CA 1.028 57.444 56.400 0.028 0.000 0.804 178 E CB -0.253 29.474 29.700 0.045 0.000 0.741 178 E HN 0.533 nan 8.360 nan 0.000 0.458 179 A N 0.091 122.921 122.820 0.017 0.000 2.172 179 A HA 0.083 4.404 4.320 0.000 0.000 0.216 179 A C 1.803 179.405 177.584 0.031 0.000 1.154 179 A CA 1.216 53.266 52.037 0.022 0.000 0.701 179 A CB -0.613 18.387 19.000 0.000 0.000 0.789 179 A HN 0.546 nan 8.150 nan 0.000 0.465 180 G N -1.582 107.235 108.800 0.027 0.000 2.132 180 G HA2 -0.214 3.746 3.960 0.000 0.000 0.234 180 G HA3 -0.214 3.746 3.960 0.000 0.000 0.234 180 G C 0.257 175.177 174.900 0.034 0.000 0.989 180 G CA 0.265 45.389 45.100 0.040 0.000 0.676 180 G HN 0.666 nan 8.290 nan 0.000 0.522 181 T N 2.776 117.327 114.554 -0.004 0.000 2.829 181 T HA 0.404 4.754 4.350 0.000 0.000 0.293 181 T C -1.544 173.117 174.700 -0.065 0.000 0.970 181 T CA -0.046 62.011 62.100 -0.072 0.000 1.168 181 T CB 1.103 69.908 68.868 -0.105 0.000 0.911 181 T HN 0.217 nan 8.240 nan 0.000 0.535 182 P HA 0.232 nan 4.420 nan 0.000 0.268 182 P C -0.408 176.865 177.300 -0.046 0.000 1.208 182 P CA -0.429 62.651 63.100 -0.033 0.000 0.777 182 P CB 0.331 32.037 31.700 0.011 0.000 0.875 183 A N 2.298 125.119 122.820 0.003 0.000 2.567 183 A HA 0.386 4.707 4.320 0.000 0.000 0.240 183 A C 1.625 179.197 177.584 -0.019 0.000 1.053 183 A CA 0.860 52.903 52.037 0.011 0.000 0.755 183 A CB -1.394 17.625 19.000 0.031 0.000 0.978 183 A HN 0.888 nan 8.150 nan 0.000 0.507 184 G N 1.012 109.793 108.800 -0.032 0.000 2.284 184 G HA2 -0.299 3.661 3.960 0.000 0.000 0.247 184 G HA3 -0.299 3.661 3.960 0.000 0.000 0.247 184 G C 1.044 175.898 174.900 -0.076 0.000 1.012 184 G CA 0.739 45.803 45.100 -0.060 0.000 0.618 184 G HN 1.258 nan 8.290 nan 0.000 0.521 185 V N -0.511 119.322 119.914 -0.135 0.000 2.358 185 V HA 0.182 4.302 4.120 0.000 0.000 0.246 185 V C 1.194 177.195 176.094 -0.155 0.000 1.047 185 V CA 2.072 64.194 62.300 -0.297 0.000 1.035 185 V CB -0.246 31.125 31.823 -0.754 0.000 0.658 185 V HN 0.563 nan 8.190 nan 0.000 0.452 186 Y N -0.409 119.789 120.300 -0.169 0.000 2.409 186 Y HA 0.689 5.240 4.550 0.000 0.000 0.343 186 Y C 0.044 175.968 175.900 0.041 0.000 0.973 186 Y CA -0.177 57.905 58.100 -0.030 0.000 1.064 186 Y CB 1.697 40.118 38.460 -0.064 0.000 1.207 186 Y HN 0.092 nan 8.280 nan 0.000 0.452 187 G N 4.249 112.726 108.800 -0.539 0.000 2.623 187 G HA2 0.505 4.465 3.960 0.000 0.000 0.290 187 G HA3 0.505 4.465 3.960 0.000 0.000 0.290 187 G C -2.283 172.485 174.900 -0.220 0.000 1.437 187 G CA -0.745 44.227 45.100 -0.213 0.000 0.798 187 G HN 0.823 nan 8.290 nan 0.000 0.488 188 W N -0.656 120.518 121.300 -0.211 0.000 3.075 188 W HA 0.799 5.459 4.660 0.001 0.000 0.334 188 W C -2.275 174.220 176.519 -0.040 0.000 1.243 188 W CA -1.547 55.718 57.345 -0.133 0.000 1.170 188 W CB 1.127 30.572 29.460 -0.026 0.000 1.452 188 W HN 0.982 nan 8.180 nan 0.000 0.572 189 V N 2.509 122.291 119.914 -0.220 0.000 2.851 189 V HA 0.293 4.413 4.120 0.000 0.000 0.307 189 V C -1.114 174.876 176.094 -0.172 0.000 1.129 189 V CA -0.611 61.454 62.300 -0.392 0.000 0.932 189 V CB 2.066 33.766 31.823 -0.206 0.000 1.024 189 V HN 0.627 nan 8.190 nan 0.000 0.426 190 N N 4.932 123.489 118.700 -0.237 0.000 3.245 190 N HA 0.475 5.215 4.740 0.000 0.000 0.296 190 N C -0.006 175.657 175.510 0.256 0.000 1.254 190 N CA 0.471 53.587 53.050 0.110 0.000 1.190 190 N CB 0.428 38.965 38.487 0.083 0.000 1.460 190 N HN 0.926 nan 8.380 nan 0.000 0.538 191 A N 1.849 124.765 122.820 0.162 0.000 2.354 191 A HA 0.342 4.663 4.320 0.000 0.000 0.269 191 A C 0.549 178.112 177.584 -0.035 0.000 1.109 191 A CA -0.751 51.330 52.037 0.073 0.000 0.800 191 A CB 0.164 19.157 19.000 -0.012 0.000 1.045 191 A HN 0.782 nan 8.150 nan 0.000 0.489 192 N N 1.922 120.439 118.700 -0.305 0.000 2.322 192 N HA 0.058 4.798 4.740 0.000 0.000 0.270 192 N C 0.384 175.652 175.510 -0.402 0.000 1.286 192 N CA -0.326 52.246 53.050 -0.796 0.000 0.948 192 N CB 0.022 37.753 38.487 -1.260 0.000 1.164 192 N HN 0.474 nan 8.380 nan 0.000 0.551 193 N N -0.507 117.964 118.700 -0.383 0.000 2.166 193 N HA -0.185 4.556 4.740 0.000 0.000 0.186 193 N C 1.212 176.627 175.510 -0.158 0.000 1.019 193 N CA 1.066 53.990 53.050 -0.211 0.000 0.856 193 N CB -0.355 38.029 38.487 -0.172 0.000 0.993 193 N HN 0.829 nan 8.380 nan 0.000 0.426 194 E N 0.142 120.238 120.200 -0.173 0.000 2.072 194 E HA -0.090 4.261 4.350 0.000 0.000 0.191 194 E C 1.966 178.507 176.600 -0.100 0.000 0.985 194 E CA 1.205 57.534 56.400 -0.118 0.000 0.801 194 E CB -0.310 29.323 29.700 -0.110 0.000 0.750 194 E HN 0.341 nan 8.360 nan 0.000 0.452 195 G N 0.599 109.329 108.800 -0.116 0.000 2.418 195 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 195 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 195 G C 1.659 176.513 174.900 -0.077 0.000 1.158 195 G CA 0.950 46.000 45.100 -0.083 0.000 0.771 195 G HN 0.237 nan 8.290 nan 0.000 0.545 196 V N 1.159 121.020 119.914 -0.088 0.000 2.287 196 V HA -0.220 3.900 4.120 0.000 0.000 0.248 196 V C 3.143 179.198 176.094 -0.065 0.000 1.053 196 V CA 2.331 64.586 62.300 -0.074 0.000 1.027 196 V CB -0.723 31.056 31.823 -0.073 0.000 0.646 196 V HN 0.380 nan 8.190 nan 0.000 0.447 197 S N -1.166 114.496 115.700 -0.064 0.000 2.365 197 S HA -0.232 4.238 4.470 0.000 0.000 0.225 197 S C 1.266 175.839 174.600 -0.046 0.000 1.039 197 S CA 1.208 59.377 58.200 -0.051 0.000 1.033 197 S CB -0.307 62.863 63.200 -0.050 0.000 0.887 197 S HN 0.732 nan 8.310 nan 0.000 0.447 201 N N 1.361 120.042 118.700 -0.032 0.000 2.461 201 N HA -0.007 4.734 4.740 0.000 0.000 0.188 201 N C 0.178 175.673 175.510 -0.025 0.000 1.134 201 N CA 0.217 53.253 53.050 -0.024 0.000 0.878 201 N CB 0.404 38.878 38.487 -0.022 0.000 0.972 201 N HN 0.266 nan 8.380 nan 0.000 0.456 202 D N 0.646 121.027 120.400 -0.032 0.000 2.210 202 D HA 0.083 4.724 4.640 0.000 0.000 0.249 202 D C -1.610 174.672 176.300 -0.030 0.000 1.078 202 D CA -2.178 51.804 54.000 -0.030 0.000 0.875 202 D CB 1.728 42.506 40.800 -0.038 0.000 1.175 202 D HN -0.011 nan 8.370 nan 0.000 0.440 203 P HA -0.084 nan 4.420 nan 0.000 0.222 203 P C 0.965 178.249 177.300 -0.027 0.000 1.147 203 P CA 0.767 63.856 63.100 -0.018 0.000 0.790 203 P CB 0.299 31.995 31.700 -0.007 0.000 0.780 204 R N -1.002 119.478 120.500 -0.033 0.000 2.235 204 R HA 0.042 4.382 4.340 0.000 0.000 0.213 204 R C 0.734 176.982 176.300 -0.086 0.000 1.059 204 R CA 0.354 56.425 56.100 -0.047 0.000 0.997 204 R CB -0.248 30.030 30.300 -0.038 0.000 0.884 204 R HN 0.168 nan 8.270 nan 0.000 0.462 205 I N 0.824 121.344 120.570 -0.082 0.000 2.337 205 I HA 0.074 4.244 4.170 0.000 0.000 0.291 205 I C 1.116 177.181 176.117 -0.086 0.000 1.046 205 I CA -0.095 61.144 61.300 -0.103 0.000 1.324 205 I CB 0.986 38.929 38.000 -0.095 0.000 1.409 205 I HN 0.075 nan 8.210 nan 0.000 0.494 206 A N 5.576 128.330 122.820 -0.110 0.000 1.943 206 A HA 0.608 4.928 4.320 0.000 0.000 0.213 206 A C 0.984 178.566 177.584 -0.003 0.000 1.181 206 A CA 0.997 52.993 52.037 -0.067 0.000 0.653 206 A CB 0.217 19.151 19.000 -0.110 0.000 0.833 206 A HN 0.772 nan 8.150 nan 0.000 0.451 207 A N -2.150 120.667 122.820 -0.006 0.000 2.581 207 A HA 0.618 4.938 4.320 0.000 0.000 0.290 207 A C -1.526 176.058 177.584 0.001 0.000 1.119 207 A CA -0.276 51.815 52.037 0.090 0.000 0.670 207 A CB 0.684 19.874 19.000 0.317 0.000 1.280 207 A HN 0.588 nan 8.150 nan 0.000 0.425 208 V N 0.038 120.005 119.914 0.089 0.000 2.841 208 V HA 0.790 4.910 4.120 0.000 0.000 0.310 208 V C -0.278 175.855 176.094 0.066 0.000 1.090 208 V CA -0.336 61.958 62.300 -0.012 0.000 0.930 208 V CB 1.978 33.802 31.823 0.001 0.000 1.014 208 V HN 1.083 nan 8.190 nan 0.000 0.425 209 T N 3.344 117.858 114.554 -0.065 0.000 2.861 209 T HA 0.756 5.106 4.350 0.000 0.000 0.287 209 T C -1.318 173.362 174.700 -0.034 0.000 1.003 209 T CA -0.293 61.826 62.100 0.031 0.000 0.977 209 T CB 1.371 70.251 68.868 0.021 0.000 0.996 209 T HN 0.459 nan 8.240 nan 0.000 0.448 210 V N 4.532 124.435 119.914 -0.018 0.000 2.638 210 V HA 0.602 4.722 4.120 0.000 0.000 0.306 210 V C -0.154 175.918 176.094 -0.036 0.000 1.052 210 V CA -0.796 61.479 62.300 -0.043 0.000 0.885 210 V CB 2.202 33.991 31.823 -0.058 0.000 0.999 210 V HN 1.000 nan 8.190 nan 0.000 0.424 211 T N 3.364 117.902 114.554 -0.028 0.000 2.809 211 T HA 0.859 5.209 4.350 0.000 0.000 0.284 211 T C 0.301 174.977 174.700 -0.039 0.000 0.992 211 T CA 0.135 62.224 62.100 -0.018 0.000 0.957 211 T CB 1.575 70.445 68.868 0.002 0.000 0.942 211 T HN 1.287 nan 8.240 nan 0.000 0.439 212 G N 1.887 110.651 108.800 -0.061 0.000 2.399 212 G HA2 0.459 4.419 3.960 0.000 0.000 0.256 212 G HA3 0.459 4.419 3.960 0.000 0.000 0.256 212 G C -0.580 174.250 174.900 -0.117 0.000 1.236 212 G CA -0.250 44.789 45.100 -0.102 0.000 0.914 212 G HN 0.918 nan 8.290 nan 0.000 0.482 213 S N -0.609 115.023 115.700 -0.112 0.000 2.614 213 S HA 0.457 4.927 4.470 0.000 0.000 0.265 213 S C 1.544 176.122 174.600 -0.037 0.000 1.303 213 S CA 0.255 58.398 58.200 -0.095 0.000 1.000 213 S CB 1.480 64.634 63.200 -0.077 0.000 0.935 213 S HN 1.209 nan 8.310 nan 0.000 0.551 214 V N 1.748 121.666 119.914 0.008 0.000 2.324 214 V HA -0.204 3.916 4.120 0.000 0.000 0.250 214 V C 2.898 178.985 176.094 -0.012 0.000 1.060 214 V CA 2.435 64.740 62.300 0.008 0.000 1.042 214 V CB -1.181 30.659 31.823 0.028 0.000 0.650 214 V HN 0.976 nan 8.190 nan 0.000 0.450 215 R N 0.231 120.728 120.500 -0.005 0.000 2.081 215 R HA -0.168 4.172 4.340 0.000 0.000 0.235 215 R C 2.298 178.592 176.300 -0.011 0.000 1.131 215 R CA 1.716 57.812 56.100 -0.005 0.000 0.960 215 R CB -0.447 29.855 30.300 0.004 0.000 0.856 215 R HN 0.480 nan 8.270 nan 0.000 0.436 216 A N 0.330 123.140 122.820 -0.015 0.000 1.877 216 A HA -0.066 4.254 4.320 0.000 0.000 0.216 216 A C 2.393 179.961 177.584 -0.027 0.000 1.186 216 A CA 1.687 53.713 52.037 -0.019 0.000 0.620 216 A CB -1.311 17.677 19.000 -0.020 0.000 0.822 216 A HN 0.590 nan 8.150 nan 0.000 0.443 217 G N -0.534 108.243 108.800 -0.039 0.000 2.440 217 G HA2 -0.023 3.937 3.960 0.000 0.000 0.218 217 G HA3 -0.023 3.937 3.960 0.000 0.000 0.218 217 G C 1.730 176.611 174.900 -0.031 0.000 1.154 217 G CA 1.553 46.619 45.100 -0.057 0.000 0.767 217 G HN 0.813 nan 8.290 nan 0.000 0.552 218 A N 1.075 123.885 122.820 -0.017 0.000 1.898 218 A HA 0.327 4.647 4.320 0.000 0.000 0.216 218 A C 2.813 180.399 177.584 0.004 0.000 1.181 218 A CA 2.171 54.209 52.037 0.002 0.000 0.620 218 A CB -0.752 18.247 19.000 -0.002 0.000 0.819 218 A HN 0.762 nan 8.150 nan 0.000 0.442 219 A N -0.287 122.530 122.820 -0.006 0.000 1.898 219 A HA -0.023 4.297 4.320 0.000 0.000 0.216 219 A C 2.095 179.675 177.584 -0.007 0.000 1.181 219 A CA 1.566 53.598 52.037 -0.008 0.000 0.620 219 A CB -0.513 18.478 19.000 -0.014 0.000 0.819 219 A HN 0.482 nan 8.150 nan 0.000 0.442 220 I N -0.683 119.881 120.570 -0.010 0.000 2.400 220 I HA -0.050 4.120 4.170 0.000 0.000 0.248 220 I C 2.680 178.804 176.117 0.011 0.000 1.109 220 I CA 0.875 62.169 61.300 -0.010 0.000 1.425 220 I CB -0.515 37.472 38.000 -0.022 0.000 1.094 220 I HN 0.350 nan 8.210 nan 0.000 0.425 221 G N 0.742 109.557 108.800 0.024 0.000 2.440 221 G HA2 -0.278 3.683 3.960 0.000 0.000 0.218 221 G HA3 -0.278 3.683 3.960 0.000 0.000 0.218 221 G C 1.873 176.817 174.900 0.073 0.000 1.154 221 G CA 0.894 46.040 45.100 0.076 0.000 0.767 221 G HN 0.471 nan 8.290 nan 0.000 0.552 222 A N 0.385 123.232 122.820 0.045 0.000 1.908 222 A HA -0.131 4.190 4.320 0.000 0.000 0.218 222 A C 2.355 179.952 177.584 0.021 0.000 1.181 222 A CA 2.035 54.090 52.037 0.030 0.000 0.627 222 A CB -0.413 18.597 19.000 0.017 0.000 0.818 222 A HN 0.487 nan 8.150 nan 0.000 0.445 223 Q N -0.877 118.932 119.800 0.014 0.000 2.083 223 Q HA 0.011 4.352 4.340 0.000 0.000 0.198 223 Q C 2.469 178.476 176.000 0.012 0.000 0.969 223 Q CA 1.089 56.895 55.803 0.005 0.000 0.838 223 Q CB -0.349 28.385 28.738 -0.007 0.000 0.900 223 Q HN 0.672 nan 8.270 nan 0.000 0.436 224 A N 1.220 124.054 122.820 0.025 0.000 1.877 224 A HA -0.132 4.188 4.320 0.000 0.000 0.216 224 A C 2.310 179.917 177.584 0.040 0.000 1.186 224 A CA 1.723 53.781 52.037 0.036 0.000 0.620 224 A CB -1.357 17.680 19.000 0.061 0.000 0.822 224 A HN 0.472 nan 8.150 nan 0.000 0.443 225 G N -0.441 108.387 108.800 0.047 0.000 2.446 225 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 225 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 225 G C 1.755 176.665 174.900 0.017 0.000 1.168 225 G CA 1.628 46.748 45.100 0.033 0.000 0.771 225 G HN 0.889 nan 8.290 nan 0.000 0.551 226 A N 0.752 123.580 122.820 0.013 0.000 1.978 226 A HA 0.312 4.633 4.320 0.000 0.000 0.220 226 A C 2.535 180.121 177.584 0.004 0.000 1.170 226 A CA 2.122 54.163 52.037 0.006 0.000 0.636 226 A CB -0.415 18.586 19.000 0.003 0.000 0.810 226 A HN 0.894 nan 8.150 nan 0.000 0.448 227 A N -1.429 121.395 122.820 0.006 0.000 2.275 227 A HA 0.521 4.841 4.320 0.000 0.000 0.212 227 A C 0.883 178.472 177.584 0.007 0.000 1.201 227 A CA 0.347 52.386 52.037 0.003 0.000 0.843 227 A CB -0.570 18.430 19.000 -0.000 0.000 0.873 227 A HN 0.882 nan 8.150 nan 0.000 0.492 228 L N -1.547 119.683 121.223 0.011 0.000 3.730 228 L HA -0.208 4.133 4.340 0.000 0.000 0.410 228 L C -0.383 176.500 176.870 0.022 0.000 1.234 228 L CA 0.616 55.464 54.840 0.013 0.000 0.911 228 L CB -1.919 40.145 42.059 0.008 0.000 1.942 228 L HN 0.368 nan 8.230 nan 0.000 0.860 229 K N 0.604 121.023 120.400 0.033 0.000 2.292 229 K HA 0.496 4.816 4.320 0.000 0.000 0.257 229 K C 0.041 176.688 176.600 0.079 0.000 0.940 229 K CA -0.906 55.410 56.287 0.049 0.000 0.811 229 K CB 2.394 34.917 32.500 0.038 0.000 1.120 229 K HN -0.013 nan 8.250 nan 0.000 0.428 230 K N 2.277 122.736 120.400 0.099 0.000 2.355 230 K HA 0.173 4.494 4.320 0.000 0.000 0.270 230 K C -0.479 176.243 176.600 0.203 0.000 1.003 230 K CA -0.214 56.149 56.287 0.126 0.000 0.957 230 K CB 0.414 32.974 32.500 0.099 0.000 0.939 230 K HN 0.847 nan 8.250 nan 0.000 0.482 231 C N 0.274 119.724 119.300 0.250 0.000 2.994 231 C HA 0.672 5.132 4.460 0.000 0.000 0.304 231 C C -0.623 174.534 174.990 0.279 0.000 1.273 231 C CA -1.122 58.062 59.018 0.276 0.000 1.537 231 C CB 0.789 28.643 27.740 0.190 0.000 2.001 231 C HN 0.420 nan 8.230 nan 0.000 0.471 232 V N 2.564 122.604 119.914 0.210 0.000 2.398 232 V HA 0.502 4.622 4.120 0.000 0.000 0.286 232 V C -0.238 175.780 176.094 -0.126 0.000 1.026 232 V CA -0.237 62.103 62.300 0.066 0.000 0.868 232 V CB 1.416 33.342 31.823 0.172 0.000 0.982 232 V HN 0.791 nan 8.190 nan 0.000 0.443 233 L N 5.169 126.119 121.223 -0.454 0.000 2.316 233 L HA 0.576 4.916 4.340 0.000 0.000 0.280 233 L C -0.129 176.576 176.870 -0.275 0.000 1.006 233 L CA -0.388 54.193 54.840 -0.432 0.000 0.836 233 L CB 1.506 43.133 42.059 -0.720 0.000 1.221 233 L HN 0.529 nan 8.230 nan 0.000 0.418 234 E N 5.757 125.886 120.200 -0.117 0.000 2.121 234 E HA 0.456 4.807 4.350 0.000 0.000 0.255 234 E C -0.477 176.112 176.600 -0.018 0.000 0.906 234 E CA -0.171 56.211 56.400 -0.030 0.000 0.745 234 E CB 1.890 31.635 29.700 0.075 0.000 1.155 234 E HN 0.535 nan 8.360 nan 0.000 0.424 235 L N -0.104 121.100 121.223 -0.031 0.000 2.664 235 L HA 0.604 4.944 4.340 0.000 0.000 0.253 235 L C 1.234 178.120 176.870 0.028 0.000 1.293 235 L CA -1.248 53.583 54.840 -0.014 0.000 1.280 235 L CB 0.048 42.093 42.059 -0.023 0.000 1.993 235 L HN 0.355 nan 8.230 nan 0.000 0.577 236 G N -1.253 107.588 108.800 0.068 0.000 2.667 236 G HA2 0.461 4.421 3.960 0.000 0.000 0.250 236 G HA3 0.461 4.421 3.960 0.000 0.000 0.250 236 G C -0.443 174.470 174.900 0.021 0.000 1.212 236 G CA 0.228 45.339 45.100 0.018 0.000 0.874 236 G HN 0.744 nan 8.290 nan 0.000 0.561 237 G N -2.042 106.614 108.800 -0.240 0.000 2.612 237 G HA2 0.469 4.430 3.960 0.000 0.000 0.298 237 G HA3 0.469 4.430 3.960 0.000 0.000 0.298 237 G C -0.725 173.795 174.900 -0.632 0.000 1.336 237 G CA -0.031 44.900 45.100 -0.282 0.000 0.953 237 G HN 0.972 nan 8.290 nan 0.000 0.482 238 S N 0.756 116.149 115.700 -0.512 0.000 2.235 238 S HA 0.289 4.759 4.470 0.000 0.000 0.152 238 S C -0.913 173.538 174.600 -0.248 0.000 1.649 238 S CA -0.643 57.300 58.200 -0.429 0.000 1.277 238 S CB -0.253 62.664 63.200 -0.470 0.000 1.299 238 S HN 0.468 nan 8.310 nan 0.000 0.388 239 D N 4.766 125.049 120.400 -0.195 0.000 2.458 239 D HA 0.225 4.866 4.640 0.000 0.000 0.243 239 D C -2.098 174.093 176.300 -0.182 0.000 1.146 239 D CA -0.851 53.068 54.000 -0.134 0.000 0.877 239 D CB 0.907 41.663 40.800 -0.074 0.000 1.176 239 D HN 0.333 nan 8.370 nan 0.000 0.461 240 P HA 0.243 nan 4.420 nan 0.000 0.282 240 P C -0.967 176.298 177.300 -0.059 0.000 1.249 240 P CA -0.549 62.465 63.100 -0.143 0.000 0.806 240 P CB 0.608 32.248 31.700 -0.102 0.000 0.984 241 F N 3.260 123.054 119.950 -0.259 0.000 2.610 241 F HA 0.471 4.998 4.527 0.000 0.000 0.355 241 F C -0.716 175.045 175.800 -0.065 0.000 1.140 241 F CA -0.907 57.007 58.000 -0.143 0.000 1.037 241 F CB 0.593 39.435 39.000 -0.264 0.000 1.287 241 F HN 0.083 nan 8.300 nan 0.000 0.457 242 I N 6.635 127.173 120.570 -0.053 0.000 2.331 242 I HA 0.388 4.558 4.170 0.000 0.000 0.292 242 I C -0.844 175.263 176.117 -0.016 0.000 0.998 242 I CA -0.932 60.353 61.300 -0.025 0.000 1.267 242 I CB 1.535 39.505 38.000 -0.050 0.000 1.386 242 I HN 0.208 nan 8.210 nan 0.000 0.476 243 V N 7.527 127.428 119.914 -0.022 0.000 2.407 243 V HA 0.426 4.546 4.120 0.000 0.000 0.291 243 V C 0.137 176.221 176.094 -0.016 0.000 1.018 243 V CA -0.524 61.769 62.300 -0.013 0.000 0.842 243 V CB 1.531 33.248 31.823 -0.177 0.000 0.996 243 V HN 0.519 nan 8.190 nan 0.000 0.426 244 L N 3.047 124.290 121.223 0.033 0.000 2.400 244 L HA 0.525 4.866 4.340 0.000 0.000 0.264 244 L C 1.337 178.232 176.870 0.043 0.000 1.061 244 L CA -0.821 54.035 54.840 0.027 0.000 0.799 244 L CB 0.970 43.045 42.059 0.026 0.000 1.240 244 L HN 0.491 nan 8.230 nan 0.000 0.461 245 N N 1.029 119.752 118.700 0.038 0.000 2.272 245 N HA -0.169 4.571 4.740 0.000 0.000 0.185 245 N C 0.774 176.316 175.510 0.054 0.000 1.014 245 N CA 1.184 54.261 53.050 0.045 0.000 0.870 245 N CB -0.285 38.225 38.487 0.038 0.000 0.975 245 N HN 0.618 nan 8.380 nan 0.000 0.433 246 D N -0.679 119.754 120.400 0.054 0.000 2.358 246 D HA 0.159 4.800 4.640 0.000 0.000 0.224 246 D C 0.195 176.543 176.300 0.081 0.000 1.123 246 D CA -0.331 53.704 54.000 0.057 0.000 0.833 246 D CB -0.456 40.369 40.800 0.042 0.000 0.946 246 D HN 0.056 nan 8.370 nan 0.000 0.505 247 A N 0.582 123.467 122.820 0.108 0.000 2.466 247 A HA 0.132 4.452 4.320 0.000 0.000 0.238 247 A C 0.389 178.073 177.584 0.167 0.000 1.074 247 A CA -0.289 51.852 52.037 0.173 0.000 0.774 247 A CB 0.187 19.313 19.000 0.210 0.000 1.015 247 A HN 0.136 nan 8.150 nan 0.000 0.498 248 D N 1.864 122.399 120.400 0.225 0.000 2.441 248 D HA 0.056 4.697 4.640 0.000 0.000 0.243 248 D C 0.930 177.326 176.300 0.160 0.000 1.257 248 D CA -0.211 53.905 54.000 0.192 0.000 1.027 248 D CB 0.018 40.956 40.800 0.232 0.000 1.084 248 D HN 0.394 nan 8.370 nan 0.000 0.514 249 L N 3.932 125.223 121.223 0.114 0.000 2.083 249 L HA -0.141 4.200 4.340 0.000 0.000 0.209 249 L C 1.865 178.765 176.870 0.050 0.000 1.083 249 L CA 1.693 56.590 54.840 0.095 0.000 0.752 249 L CB -0.178 41.943 42.059 0.104 0.000 0.899 249 L HN 0.259 nan 8.230 nan 0.000 0.433 250 E N -0.532 119.698 120.200 0.050 0.000 2.051 250 E HA -0.224 4.126 4.350 0.000 0.000 0.192 250 E C 2.176 178.789 176.600 0.022 0.000 0.991 250 E CA 1.423 57.841 56.400 0.030 0.000 0.799 250 E CB -0.721 29.005 29.700 0.043 0.000 0.748 250 E HN 0.417 nan 8.360 nan 0.000 0.449 251 L N 0.836 122.095 121.223 0.059 0.000 2.046 251 L HA -0.077 4.264 4.340 0.000 0.000 0.208 251 L C 2.153 178.911 176.870 -0.186 0.000 1.077 251 L CA 1.998 56.885 54.840 0.077 0.000 0.747 251 L CB -0.809 41.411 42.059 0.269 0.000 0.896 251 L HN 0.064 nan 8.230 nan 0.000 0.432 252 A N -1.206 121.338 122.820 -0.459 0.000 1.883 252 A HA -0.171 4.149 4.320 0.000 0.000 0.217 252 A C 2.278 179.757 177.584 -0.176 0.000 1.186 252 A CA 2.119 53.607 52.037 -0.914 0.000 0.624 252 A CB -1.127 17.535 19.000 -0.563 0.000 0.822 252 A HN 0.294 nan 8.150 nan 0.000 0.444 253 V N 0.067 119.950 119.914 -0.051 0.000 2.343 253 V HA -0.263 3.857 4.120 0.000 0.000 0.247 253 V C 2.474 178.520 176.094 -0.081 0.000 1.051 253 V CA 2.334 64.590 62.300 -0.074 0.000 1.036 253 V CB -0.639 31.087 31.823 -0.162 0.000 0.654 253 V HN 0.540 nan 8.190 nan 0.000 0.451 254 K N 0.173 120.540 120.400 -0.055 0.000 2.026 254 K HA -0.126 4.194 4.320 0.000 0.000 0.208 254 K C 2.311 178.921 176.600 0.017 0.000 1.048 254 K CA 1.498 57.795 56.287 0.017 0.000 0.929 254 K CB -0.420 32.151 32.500 0.118 0.000 0.713 254 K HN 0.466 nan 8.250 nan 0.000 0.439 255 A N 1.468 124.173 122.820 -0.192 0.000 1.933 255 A HA -0.110 4.211 4.320 0.000 0.000 0.218 255 A C 2.341 179.931 177.584 0.009 0.000 1.175 255 A CA 1.801 53.634 52.037 -0.339 0.000 0.628 255 A CB -0.589 18.216 19.000 -0.326 0.000 0.814 255 A HN 0.344 nan 8.150 nan 0.000 0.444 256 A N -0.564 122.181 122.820 -0.125 0.000 1.877 256 A HA 0.007 4.327 4.320 0.000 0.000 0.216 256 A C 2.236 179.892 177.584 0.119 0.000 1.186 256 A CA 1.777 53.617 52.037 -0.328 0.000 0.620 256 A CB -0.934 17.857 19.000 -0.348 0.000 0.822 256 A HN 0.370 nan 8.150 nan 0.000 0.443 257 V N -0.149 119.805 119.914 0.066 0.000 2.295 257 V HA -0.231 3.889 4.120 0.000 0.000 0.246 257 V C 3.067 179.266 176.094 0.175 0.000 1.049 257 V CA 1.965 64.286 62.300 0.034 0.000 1.024 257 V CB -1.208 30.513 31.823 -0.170 0.000 0.648 257 V HN 0.616 nan 8.190 nan 0.000 0.447 258 A N 0.438 123.360 122.820 0.169 0.000 1.902 258 A HA -0.087 4.233 4.320 0.000 0.000 0.217 258 A C 2.418 180.115 177.584 0.188 0.000 1.181 258 A CA 1.946 54.108 52.037 0.210 0.000 0.623 258 A CB -1.239 17.967 19.000 0.343 0.000 0.818 258 A HN 0.528 nan 8.150 nan 0.000 0.443 259 G N -0.502 108.412 108.800 0.190 0.000 2.418 259 G HA2 -0.249 3.712 3.960 0.000 0.000 0.217 259 G HA3 -0.249 3.712 3.960 0.000 0.000 0.217 259 G C 1.735 176.683 174.900 0.079 0.000 1.158 259 G CA 1.340 46.532 45.100 0.153 0.000 0.771 259 G HN 0.547 nan 8.290 nan 0.000 0.545 260 R N -0.609 119.937 120.500 0.076 0.000 2.075 260 R HA 0.086 4.427 4.340 0.000 0.000 0.226 260 R C 1.752 177.883 176.300 -0.281 0.000 1.114 260 R CA 1.001 57.023 56.100 -0.130 0.000 0.972 260 R CB -0.564 29.636 30.300 -0.167 0.000 0.869 260 R HN 0.415 nan 8.270 nan 0.000 0.437 261 Y N 0.562 120.907 120.300 0.074 0.000 2.458 261 Y HA 0.328 4.878 4.550 0.000 0.000 0.256 261 Y C 0.316 176.214 175.900 -0.002 0.000 1.159 261 Y CA -0.372 57.738 58.100 0.017 0.000 1.261 261 Y CB 0.129 38.575 38.460 -0.024 0.000 1.119 261 Y HN -0.037 nan 8.280 nan 0.000 0.524 262 Q N 1.366 121.236 119.800 0.115 0.000 2.349 262 Q HA -0.103 4.237 4.340 0.000 0.000 0.287 262 Q C 0.553 176.564 176.000 0.019 0.000 1.044 262 Q CA 0.363 56.209 55.803 0.073 0.000 0.918 262 Q CB 0.272 29.061 28.738 0.084 0.000 1.242 262 Q HN 0.397 nan 8.270 nan 0.000 0.405 263 N N 0.867 119.556 118.700 -0.018 0.000 2.721 263 N HA -0.210 4.530 4.740 0.000 0.000 0.249 263 N C -0.968 174.493 175.510 -0.082 0.000 1.072 263 N CA 1.288 54.276 53.050 -0.103 0.000 0.710 263 N CB -1.203 37.142 38.487 -0.236 0.000 0.993 263 N HN 0.759 nan 8.380 nan 0.000 0.547 264 T N -1.801 112.744 114.554 -0.014 0.000 3.897 264 T HA -0.107 4.243 4.350 0.000 0.000 0.353 264 T C 1.353 176.044 174.700 -0.016 0.000 0.758 264 T CA 1.917 64.031 62.100 0.023 0.000 1.883 264 T CB -1.922 66.944 68.868 -0.005 0.000 1.849 264 T HN 1.641 nan 8.240 nan 0.000 0.791 265 G N 0.124 108.890 108.800 -0.057 0.000 2.176 265 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 265 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 265 G C 0.032 174.694 174.900 -0.397 0.000 0.979 265 G CA 0.300 45.304 45.100 -0.160 0.000 0.641 265 G HN 0.688 nan 8.290 nan 0.000 0.530 266 Q N 0.452 119.970 119.800 -0.469 0.000 3.041 266 Q HA 0.523 4.863 4.340 0.000 0.000 0.372 266 Q C -0.418 175.103 176.000 -0.799 0.000 1.241 266 Q CA -0.099 55.088 55.803 -1.026 0.000 1.010 266 Q CB 1.191 29.682 28.738 -0.412 0.000 1.467 266 Q HN 0.291 nan 8.270 nan 0.000 0.462 267 V N 0.036 119.634 119.914 -0.527 0.000 2.638 267 V HA 0.047 4.168 4.120 0.000 0.000 0.306 267 V C 1.127 177.366 176.094 0.241 0.000 1.052 267 V CA -0.872 61.469 62.300 0.067 0.000 0.885 267 V CB 1.458 33.366 31.823 0.142 0.000 0.999 267 V HN 0.764 nan 8.190 nan 0.000 0.424 268 C N 2.223 121.752 119.300 0.381 0.000 2.413 268 C HA -0.012 4.449 4.460 0.000 0.000 0.276 268 C C 1.920 177.019 174.990 0.181 0.000 1.236 268 C CA 1.014 60.216 59.018 0.307 0.000 1.735 268 C CB -1.064 26.839 27.740 0.272 0.000 2.031 268 C HN 0.975 nan 8.230 nan 0.000 0.474 269 A N 0.949 123.894 122.820 0.209 0.000 2.579 269 A HA 0.687 5.007 4.320 0.000 0.000 0.273 269 A C 1.020 178.647 177.584 0.072 0.000 1.363 269 A CA 0.502 52.627 52.037 0.147 0.000 0.953 269 A CB -1.069 18.096 19.000 0.276 0.000 1.034 269 A HN 0.957 nan 8.150 nan 0.000 0.536 270 A N 0.174 123.017 122.820 0.039 0.000 2.445 270 A HA 0.534 4.854 4.320 0.000 0.000 0.242 270 A C 0.869 178.416 177.584 -0.062 0.000 1.075 270 A CA 0.278 52.307 52.037 -0.014 0.000 0.777 270 A CB -0.019 18.941 19.000 -0.067 0.000 1.013 270 A HN 1.487 nan 8.150 nan 0.000 0.493 271 A N 1.838 124.618 122.820 -0.067 0.000 2.476 271 A HA 0.375 4.695 4.320 0.000 0.000 0.275 271 A C 0.894 178.215 177.584 -0.438 0.000 1.133 271 A CA 0.043 51.939 52.037 -0.235 0.000 0.797 271 A CB -0.079 18.799 19.000 -0.203 0.000 1.081 271 A HN 0.859 nan 8.150 nan 0.000 0.510 272 K N 1.760 121.887 120.400 -0.454 0.000 2.387 272 K HA 0.105 4.425 4.320 0.000 0.000 0.197 272 K C 0.111 176.467 176.600 -0.408 0.000 1.127 272 K CA 0.424 56.499 56.287 -0.354 0.000 0.950 272 K CB 0.616 32.970 32.500 -0.244 0.000 1.017 272 K HN 0.659 nan 8.250 nan 0.000 0.519 273 R N 1.202 121.395 120.500 -0.511 0.000 2.371 273 R HA 0.287 4.627 4.340 0.000 0.000 0.312 273 R C -1.274 174.778 176.300 -0.413 0.000 0.980 273 R CA -0.454 55.425 56.100 -0.369 0.000 0.867 273 R CB 0.687 30.742 30.300 -0.410 0.000 1.163 273 R HN -0.115 nan 8.270 nan 0.000 0.492 274 F N 3.794 123.701 119.950 -0.072 0.000 2.424 274 F HA 0.355 4.882 4.527 0.000 0.000 0.356 274 F C 0.641 176.397 175.800 -0.075 0.000 1.110 274 F CA -0.394 57.545 58.000 -0.102 0.000 1.161 274 F CB 0.767 39.620 39.000 -0.244 0.000 1.115 274 F HN 0.250 nan 8.300 nan 0.000 0.507 275 I N 5.154 125.757 120.570 0.055 0.000 2.420 275 I HA 0.364 4.534 4.170 0.000 0.000 0.282 275 I C -0.987 175.097 176.117 -0.055 0.000 1.019 275 I CA -0.907 60.401 61.300 0.013 0.000 1.130 275 I CB 1.314 39.323 38.000 0.015 0.000 1.262 275 I HN 0.321 nan 8.210 nan 0.000 0.454 276 V N 1.933 121.797 119.914 -0.083 0.000 2.540 276 V HA 0.518 4.639 4.120 0.000 0.000 0.302 276 V C -0.158 175.907 176.094 -0.048 0.000 1.035 276 V CA -0.798 61.420 62.300 -0.136 0.000 0.873 276 V CB 1.721 33.383 31.823 -0.269 0.000 0.992 276 V HN 0.766 nan 8.190 nan 0.000 0.428 277 E N 2.377 122.560 120.200 -0.029 0.000 2.414 277 E HA 0.031 4.381 4.350 0.000 0.000 0.263 277 E C 1.067 177.682 176.600 0.025 0.000 1.000 277 E CA 0.469 56.876 56.400 0.011 0.000 0.914 277 E CB 0.963 30.674 29.700 0.018 0.000 0.948 277 E HN 0.950 nan 8.360 nan 0.000 0.444 278 E N 2.903 123.127 120.200 0.040 0.000 2.136 278 E HA -0.264 4.087 4.350 0.000 0.000 0.202 278 E C 1.614 178.239 176.600 0.042 0.000 1.019 278 E CA 1.699 58.125 56.400 0.043 0.000 0.819 278 E CB -0.244 29.483 29.700 0.045 0.000 0.739 278 E HN 0.817 nan 8.360 nan 0.000 0.458 279 G N 0.509 109.332 108.800 0.039 0.000 2.448 279 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 279 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 279 G C 1.471 176.400 174.900 0.049 0.000 1.127 279 G CA 0.677 45.801 45.100 0.040 0.000 0.766 279 G HN 0.400 nan 8.290 nan 0.000 0.552 280 I N 0.017 120.619 120.570 0.054 0.000 4.082 280 I HA 0.369 4.539 4.170 0.000 0.000 0.337 280 I C 2.538 178.720 176.117 0.107 0.000 1.352 280 I CA 0.429 61.775 61.300 0.077 0.000 1.097 280 I CB 0.338 38.385 38.000 0.077 0.000 1.048 280 I HN 0.154 nan 8.210 nan 0.000 0.393 281 A N 0.541 123.412 122.820 0.084 0.000 1.883 281 A HA -0.287 4.034 4.320 0.000 0.000 0.217 281 A C 2.152 179.824 177.584 0.147 0.000 1.186 281 A CA 1.997 54.098 52.037 0.107 0.000 0.624 281 A CB -0.493 18.550 19.000 0.070 0.000 0.822 281 A HN 0.486 nan 8.150 nan 0.000 0.444 282 Q N -0.353 119.508 119.800 0.101 0.000 2.079 282 Q HA 0.020 4.360 4.340 0.000 0.000 0.200 282 Q C 2.127 178.178 176.000 0.085 0.000 0.974 282 Q CA 2.095 57.948 55.803 0.083 0.000 0.840 282 Q CB -0.692 28.080 28.738 0.056 0.000 0.898 282 Q HN 0.555 nan 8.270 nan 0.000 0.430 283 A N -0.404 122.472 122.820 0.092 0.000 1.902 283 A HA -0.164 4.156 4.320 0.000 0.000 0.217 283 A C 2.042 179.682 177.584 0.095 0.000 1.181 283 A CA 1.470 53.555 52.037 0.080 0.000 0.623 283 A CB -1.033 18.016 19.000 0.082 0.000 0.818 283 A HN 0.541 nan 8.150 nan 0.000 0.443 284 F N 1.270 121.223 119.950 0.005 0.000 2.102 284 F HA -0.150 4.377 4.527 0.000 0.000 0.298 284 F C 2.471 178.270 175.800 -0.001 0.000 1.105 284 F CA 2.335 60.331 58.000 -0.008 0.000 1.239 284 F CB -0.628 38.359 39.000 -0.023 0.000 0.991 284 F HN 0.200 nan 8.300 nan 0.000 0.474 285 T N 0.125 114.745 114.554 0.110 0.000 2.746 285 T HA -0.184 4.167 4.350 0.000 0.000 0.267 285 T C 1.397 176.073 174.700 -0.040 0.000 1.039 285 T CA 1.675 63.793 62.100 0.030 0.000 1.142 285 T CB -0.432 68.498 68.868 0.104 0.000 0.866 285 T HN 0.245 nan 8.240 nan 0.000 0.444 286 D N 0.859 121.244 120.400 -0.026 0.000 2.097 286 D HA -0.033 4.607 4.640 0.000 0.000 0.195 286 D C 2.412 178.659 176.300 -0.088 0.000 0.989 286 D CA 1.023 54.999 54.000 -0.040 0.000 0.827 286 D CB -0.200 40.588 40.800 -0.019 0.000 0.966 286 D HN 0.291 nan 8.370 nan 0.000 0.456 287 R N -0.781 119.641 120.500 -0.131 0.000 2.092 287 R HA -0.037 4.303 4.340 0.000 0.000 0.231 287 R C 2.208 178.361 176.300 -0.245 0.000 1.119 287 R CA 0.599 56.595 56.100 -0.172 0.000 0.970 287 R CB -0.364 29.835 30.300 -0.169 0.000 0.864 287 R HN 0.170 nan 8.270 nan 0.000 0.440 288 F N 0.696 120.329 119.950 -0.528 0.000 2.113 288 F HA -0.177 4.350 4.527 0.000 0.000 0.297 288 F C 1.999 177.606 175.800 -0.322 0.000 1.103 288 F CA 1.222 58.878 58.000 -0.574 0.000 1.248 288 F CB -0.185 38.252 39.000 -0.938 0.000 0.999 288 F HN -0.276 nan 8.300 nan 0.000 0.475 289 V N 0.507 120.382 119.914 -0.066 0.000 2.343 289 V HA -0.327 3.794 4.120 0.000 0.000 0.247 289 V C 2.699 178.690 176.094 -0.171 0.000 1.051 289 V CA 1.841 64.096 62.300 -0.074 0.000 1.036 289 V CB -1.527 30.296 31.823 0.000 0.000 0.654 289 V HN 0.482 nan 8.190 nan 0.000 0.451 290 A N -0.178 122.545 122.820 -0.163 0.000 1.933 290 A HA -0.079 4.241 4.320 0.000 0.000 0.218 290 A C 2.396 179.853 177.584 -0.212 0.000 1.175 290 A CA 2.013 53.955 52.037 -0.158 0.000 0.628 290 A CB -0.688 18.238 19.000 -0.123 0.000 0.814 290 A HN 0.568 nan 8.150 nan 0.000 0.444 291 A N -0.251 122.399 122.820 -0.284 0.000 1.930 291 A HA 0.244 4.564 4.320 0.000 0.000 0.217 291 A C 2.469 179.814 177.584 -0.398 0.000 1.175 291 A CA 1.806 53.653 52.037 -0.317 0.000 0.627 291 A CB -0.899 17.892 19.000 -0.349 0.000 0.815 291 A HN 0.992 nan 8.150 nan 0.000 0.443 292 A N -0.086 122.416 122.820 -0.530 0.000 1.930 292 A HA 0.198 4.518 4.320 0.000 0.000 0.217 292 A C 2.439 179.769 177.584 -0.422 0.000 1.175 292 A CA 1.865 53.531 52.037 -0.618 0.000 0.627 292 A CB -0.882 17.745 19.000 -0.621 0.000 0.815 292 A HN 1.019 nan 8.150 nan 0.000 0.443 293 A N -0.369 122.279 122.820 -0.287 0.000 2.015 293 A HA 0.245 4.565 4.320 0.000 0.000 0.219 293 A C 2.284 179.756 177.584 -0.187 0.000 1.163 293 A CA 1.697 53.614 52.037 -0.200 0.000 0.646 293 A CB -0.663 18.250 19.000 -0.145 0.000 0.806 293 A HN 1.018 nan 8.150 nan 0.000 0.448 294 A N -0.717 121.984 122.820 -0.199 0.000 2.169 294 A HA 0.381 4.702 4.320 0.000 0.000 0.212 294 A C 0.894 178.376 177.584 -0.170 0.000 1.153 294 A CA -0.167 51.772 52.037 -0.163 0.000 0.756 294 A CB -0.379 18.533 19.000 -0.147 0.000 0.813 294 A HN 0.432 nan 8.150 nan 0.000 0.471 295 L N 1.304 122.393 121.223 -0.223 0.000 2.453 295 L HA 0.093 4.433 4.340 0.000 0.000 0.272 295 L C 0.354 177.130 176.870 -0.157 0.000 1.182 295 L CA -0.238 54.478 54.840 -0.208 0.000 0.858 295 L CB 0.413 42.289 42.059 -0.305 0.000 1.120 295 L HN 0.193 nan 8.230 nan 0.000 0.474 299 D N 1.764 122.205 120.400 0.068 0.000 2.520 299 D HA 0.137 4.777 4.640 0.000 0.000 0.243 299 D C -0.809 175.538 176.300 0.079 0.000 1.160 299 D CA -1.083 52.985 54.000 0.112 0.000 0.877 299 D CB 1.575 42.402 40.800 0.045 0.000 1.150 299 D HN 0.056 nan 8.370 nan 0.000 0.494 300 P HA -0.049 nan 4.420 nan 0.000 0.237 300 P C 1.503 178.811 177.300 0.013 0.000 1.178 300 P CA 0.382 63.501 63.100 0.031 0.000 0.766 300 P CB 0.289 31.991 31.700 0.003 0.000 0.876 301 L N -0.858 120.375 121.223 0.016 0.000 2.478 301 L HA 0.048 4.389 4.340 0.000 0.000 0.223 301 L C 0.828 177.700 176.870 0.004 0.000 1.140 301 L CA 0.234 55.079 54.840 0.007 0.000 0.842 301 L CB -0.159 41.905 42.059 0.008 0.000 0.953 301 L HN -0.229 nan 8.230 nan 0.000 0.452 302 V N 0.637 120.554 119.914 0.005 0.000 2.368 302 V HA 0.034 4.154 4.120 0.000 0.000 0.266 302 V C 1.173 177.264 176.094 -0.006 0.000 1.045 302 V CA -0.139 62.160 62.300 -0.003 0.000 0.899 302 V CB 1.184 33.003 31.823 -0.007 0.000 1.006 302 V HN 0.273 nan 8.190 nan 0.000 0.470 303 E N 2.701 122.895 120.200 -0.009 0.000 2.160 303 E HA -0.234 4.117 4.350 0.000 0.000 0.195 303 E C 1.379 177.970 176.600 -0.016 0.000 0.991 303 E CA 1.304 57.697 56.400 -0.012 0.000 0.810 303 E CB 0.219 29.911 29.700 -0.012 0.000 0.742 303 E HN 0.760 nan 8.360 nan 0.000 0.466 304 E N 0.564 120.752 120.200 -0.019 0.000 2.418 304 E HA -0.011 4.339 4.350 0.000 0.000 0.197 304 E C -0.098 176.484 176.600 -0.030 0.000 1.026 304 E CA 0.178 56.562 56.400 -0.026 0.000 0.862 304 E CB 0.067 29.749 29.700 -0.029 0.000 0.799 304 E HN 0.095 nan 8.360 nan 0.000 0.518 305 N N 1.533 120.220 118.700 -0.023 0.000 2.458 305 N HA -0.004 4.737 4.740 0.000 0.000 0.270 305 N C 0.018 175.517 175.510 -0.019 0.000 1.102 305 N CA 0.101 53.138 53.050 -0.022 0.000 0.967 305 N CB 1.028 39.512 38.487 -0.005 0.000 1.078 305 N HN 0.036 nan 8.380 nan 0.000 0.471 306 D N 1.361 121.742 120.400 -0.032 0.000 2.249 306 D HA 0.055 4.695 4.640 0.000 0.000 0.205 306 D C 0.286 176.578 176.300 -0.013 0.000 0.962 306 D CA 0.855 54.837 54.000 -0.031 0.000 0.860 306 D CB 0.775 41.540 40.800 -0.059 0.000 0.955 306 D HN 0.367 nan 8.370 nan 0.000 0.505 307 L N -0.149 121.071 121.223 -0.004 0.000 2.381 307 L HA 0.560 4.901 4.340 0.000 0.000 0.268 307 L C 0.721 177.632 176.870 0.067 0.000 0.997 307 L CA -0.821 54.034 54.840 0.026 0.000 0.818 307 L CB 2.544 44.617 42.059 0.023 0.000 1.310 307 L HN -0.174 nan 8.230 nan 0.000 0.416 308 G N 0.893 109.724 108.800 0.050 0.000 2.971 308 G HA2 0.719 4.679 3.960 0.000 0.000 0.235 308 G HA3 0.719 4.679 3.960 0.000 0.000 0.235 308 G C -2.820 172.037 174.900 -0.071 0.000 1.351 308 G CA -1.153 43.979 45.100 0.053 0.000 1.039 308 G HN 0.340 nan 8.290 nan 0.000 0.563 312 R N -0.638 119.509 120.500 -0.590 0.000 2.534 312 R HA 0.583 4.923 4.340 0.000 0.000 0.301 312 R C -0.183 175.960 176.300 -0.261 0.000 0.961 312 R CA -0.692 55.182 56.100 -0.377 0.000 0.871 312 R CB 0.988 31.102 30.300 -0.310 0.000 1.170 312 R HN 0.245 nan 8.270 nan 0.000 0.446 313 F N 1.629 121.510 119.950 -0.114 0.000 2.134 313 F HA -0.242 4.285 4.527 0.000 0.000 0.299 313 F C 2.331 178.117 175.800 -0.023 0.000 1.097 313 F CA 1.815 59.781 58.000 -0.057 0.000 1.264 313 F CB -0.006 38.968 39.000 -0.043 0.000 1.001 313 F HN 0.626 nan 8.300 nan 0.000 0.479 314 D N 0.510 121.007 120.400 0.162 0.000 2.144 314 D HA -0.195 4.446 4.640 0.000 0.000 0.199 314 D C 1.980 178.327 176.300 0.079 0.000 0.984 314 D CA 1.381 55.447 54.000 0.109 0.000 0.834 314 D CB -1.037 39.818 40.800 0.091 0.000 0.955 314 D HN 0.308 nan 8.370 nan 0.000 0.465 315 L N -0.324 120.929 121.223 0.051 0.000 2.141 315 L HA -0.003 4.338 4.340 0.000 0.000 0.209 315 L C 2.953 179.837 176.870 0.023 0.000 1.094 315 L CA 0.695 55.572 54.840 0.062 0.000 0.763 315 L CB -0.438 41.685 42.059 0.108 0.000 0.908 315 L HN 0.030 nan 8.230 nan 0.000 0.437 316 R N 0.378 120.867 120.500 -0.018 0.000 2.081 316 R HA -0.179 4.161 4.340 0.000 0.000 0.235 316 R C 1.830 178.141 176.300 0.019 0.000 1.131 316 R CA 1.734 57.809 56.100 -0.041 0.000 0.960 316 R CB -0.066 30.217 30.300 -0.029 0.000 0.856 316 R HN 0.270 nan 8.270 nan 0.000 0.436 317 D N 0.525 120.971 120.400 0.077 0.000 2.097 317 D HA -0.159 4.481 4.640 0.000 0.000 0.195 317 D C 1.768 178.130 176.300 0.103 0.000 0.989 317 D CA 1.370 55.443 54.000 0.122 0.000 0.827 317 D CB -0.154 40.721 40.800 0.125 0.000 0.966 317 D HN 0.379 nan 8.370 nan 0.000 0.456 318 E N 0.010 120.252 120.200 0.071 0.000 2.058 318 E HA -0.191 4.159 4.350 0.000 0.000 0.194 318 E C 2.152 178.769 176.600 0.028 0.000 0.997 318 E CA 0.489 56.923 56.400 0.056 0.000 0.801 318 E CB -0.169 29.567 29.700 0.060 0.000 0.746 318 E HN 0.125 nan 8.360 nan 0.000 0.450 319 L N 0.790 122.002 121.223 -0.017 0.000 2.012 319 L HA -0.219 4.121 4.340 0.000 0.000 0.210 319 L C 2.384 179.187 176.870 -0.112 0.000 1.073 319 L CA 2.058 56.837 54.840 -0.102 0.000 0.748 319 L CB -0.587 41.326 42.059 -0.244 0.000 0.891 319 L HN 0.145 nan 8.230 nan 0.000 0.431 320 H N -0.760 118.197 119.070 -0.189 0.000 2.387 320 H HA -0.153 4.403 4.556 0.000 0.000 0.299 320 H C 2.228 177.594 175.328 0.063 0.000 1.090 320 H CA 2.154 58.205 56.048 0.005 0.000 1.332 320 H CB 0.027 29.897 29.762 0.180 0.000 1.386 320 H HN 0.510 nan 8.280 nan 0.000 0.516 321 Q N -0.240 119.561 119.800 0.001 0.000 2.124 321 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 321 Q C 2.329 178.305 176.000 -0.040 0.000 0.977 321 Q CA 1.572 57.350 55.803 -0.041 0.000 0.850 321 Q CB 0.002 28.753 28.738 0.021 0.000 0.901 321 Q HN 0.674 nan 8.270 nan 0.000 0.429 322 Q N -0.294 119.498 119.800 -0.012 0.000 2.124 322 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 322 Q C 2.190 178.194 176.000 0.007 0.000 0.977 322 Q CA 1.405 57.213 55.803 0.008 0.000 0.850 322 Q CB 0.007 28.758 28.738 0.022 0.000 0.901 322 Q HN 0.202 nan 8.270 nan 0.000 0.429 323 V N 0.986 120.897 119.914 -0.005 0.000 2.307 323 V HA -0.285 3.835 4.120 0.000 0.000 0.245 323 V C 2.146 178.227 176.094 -0.023 0.000 1.045 323 V CA 1.862 64.180 62.300 0.029 0.000 1.024 323 V CB -0.570 31.331 31.823 0.130 0.000 0.651 323 V HN 0.376 nan 8.190 nan 0.000 0.449 324 Q N -0.178 119.543 119.800 -0.132 0.000 2.061 324 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 324 Q C 2.442 178.420 176.000 -0.037 0.000 0.984 324 Q CA 1.911 57.642 55.803 -0.119 0.000 0.846 324 Q CB -0.451 28.174 28.738 -0.189 0.000 0.902 324 Q HN 0.677 nan 8.270 nan 0.000 0.421 325 A N 0.511 123.318 122.820 -0.022 0.000 1.883 325 A HA -0.211 4.109 4.320 0.000 0.000 0.217 325 A C 2.290 179.887 177.584 0.022 0.000 1.186 325 A CA 1.861 53.902 52.037 0.007 0.000 0.624 325 A CB -0.656 18.354 19.000 0.017 0.000 0.822 325 A HN 0.276 nan 8.150 nan 0.000 0.444 326 S N -0.432 115.287 115.700 0.032 0.000 2.359 326 S HA -0.146 4.324 4.470 0.000 0.000 0.224 326 S C 1.907 176.533 174.600 0.044 0.000 1.035 326 S CA 1.493 59.723 58.200 0.049 0.000 1.018 326 S CB -0.557 62.683 63.200 0.067 0.000 0.876 326 S HN 0.350 nan 8.310 nan 0.000 0.448 327 V N 2.107 122.044 119.914 0.038 0.000 2.343 327 V HA -0.218 3.902 4.120 0.000 0.000 0.247 327 V C 2.654 178.765 176.094 0.029 0.000 1.051 327 V CA 1.701 64.023 62.300 0.037 0.000 1.036 327 V CB -1.259 30.585 31.823 0.037 0.000 0.654 327 V HN 0.553 nan 8.190 nan 0.000 0.451 328 A N -0.473 122.360 122.820 0.022 0.000 1.978 328 A HA -0.249 4.072 4.320 0.000 0.000 0.220 328 A C 2.100 179.698 177.584 0.022 0.000 1.170 328 A CA 1.880 53.929 52.037 0.020 0.000 0.636 328 A CB -0.443 18.566 19.000 0.016 0.000 0.810 328 A HN 0.661 nan 8.150 nan 0.000 0.448 329 E N -2.045 118.171 120.200 0.026 0.000 2.481 329 E HA 0.241 4.591 4.350 0.000 0.000 0.195 329 E C 1.127 177.742 176.600 0.025 0.000 1.047 329 E CA 0.346 56.762 56.400 0.026 0.000 0.867 329 E CB 0.015 29.734 29.700 0.032 0.000 0.858 329 E HN 0.742 nan 8.360 nan 0.000 0.513 330 G N 0.696 109.513 108.800 0.028 0.000 2.205 330 G HA2 -0.184 3.776 3.960 0.000 0.000 0.180 330 G HA3 -0.184 3.776 3.960 0.000 0.000 0.180 330 G C 0.334 175.254 174.900 0.034 0.000 1.004 330 G CA -0.235 44.881 45.100 0.027 0.000 0.670 330 G HN 0.403 nan 8.290 nan 0.000 0.496 331 A N 0.235 123.081 122.820 0.043 0.000 2.483 331 A HA 0.628 4.949 4.320 0.000 0.000 0.238 331 A C 0.718 178.335 177.584 0.054 0.000 1.070 331 A CA 0.650 52.720 52.037 0.054 0.000 0.770 331 A CB 0.242 19.283 19.000 0.069 0.000 1.008 331 A HN 0.684 nan 8.150 nan 0.000 0.497 332 R N 1.943 122.477 120.500 0.058 0.000 2.207 332 R HA 0.376 4.716 4.340 0.000 0.000 0.334 332 R C -1.111 175.229 176.300 0.067 0.000 1.013 332 R CA -0.669 55.465 56.100 0.055 0.000 0.858 332 R CB 0.376 30.706 30.300 0.050 0.000 1.094 332 R HN 0.610 nan 8.270 nan 0.000 0.457 333 L N 6.646 127.909 121.223 0.065 0.000 2.407 333 L HA 0.120 4.460 4.340 0.000 0.000 0.282 333 L C 0.326 177.235 176.870 0.065 0.000 1.110 333 L CA 0.514 55.399 54.840 0.075 0.000 0.863 333 L CB 0.717 42.820 42.059 0.074 0.000 1.207 333 L HN 0.833 nan 8.230 nan 0.000 0.454 334 L N 5.036 126.304 121.223 0.074 0.000 2.477 334 L HA 0.228 4.568 4.340 0.000 0.000 0.220 334 L C -0.170 176.729 176.870 0.049 0.000 1.106 334 L CA 0.119 54.995 54.840 0.060 0.000 0.851 334 L CB 0.085 42.186 42.059 0.070 0.000 0.994 334 L HN 0.515 nan 8.230 nan 0.000 0.462 335 L N -1.281 119.979 121.223 0.062 0.000 2.591 335 L HA 0.628 4.968 4.340 0.000 0.000 0.257 335 L C 0.159 177.060 176.870 0.051 0.000 0.935 335 L CA 0.376 55.239 54.840 0.038 0.000 0.873 335 L CB 1.502 43.578 42.059 0.028 0.000 1.397 335 L HN 0.125 nan 8.230 nan 0.000 0.414 336 G N 2.836 111.642 108.800 0.009 0.000 2.583 336 G HA2 0.184 4.144 3.960 0.000 0.000 0.292 336 G HA3 0.184 4.144 3.960 0.000 0.000 0.292 336 G C 0.942 175.845 174.900 0.005 0.000 1.203 336 G CA 0.776 45.867 45.100 -0.016 0.000 0.987 336 G HN 2.495 nan 8.290 nan 0.000 0.554 337 G N -0.752 108.070 108.800 0.037 0.000 2.160 337 G HA2 0.060 4.020 3.960 0.000 0.000 0.244 337 G HA3 0.060 4.020 3.960 0.000 0.000 0.244 337 G C -0.040 174.912 174.900 0.087 0.000 1.022 337 G CA 1.658 46.855 45.100 0.162 0.000 0.741 337 G HN 1.447 nan 8.290 nan 0.000 0.508 338 E N -0.516 119.475 120.200 -0.349 0.000 2.356 338 E HA 0.402 4.752 4.350 0.000 0.000 0.275 338 E C -0.349 175.780 176.600 -0.785 0.000 0.904 338 E CA -1.106 55.069 56.400 -0.374 0.000 0.757 338 E CB 1.811 31.393 29.700 -0.195 0.000 1.232 338 E HN 0.240 nan 8.360 nan 0.000 0.442 339 K N 1.499 121.596 120.400 -0.506 0.000 2.295 339 K HA 0.246 4.566 4.320 0.000 0.000 0.270 339 K C -0.024 176.477 176.600 -0.166 0.000 1.011 339 K CA -0.438 55.702 56.287 -0.244 0.000 0.953 339 K CB 0.580 33.024 32.500 -0.095 0.000 0.956 339 K HN 0.261 nan 8.250 nan 0.000 0.477 340 I N 2.441 122.972 120.570 -0.066 0.000 2.395 340 I HA 0.101 4.272 4.170 0.000 0.000 0.289 340 I C 0.813 176.937 176.117 0.012 0.000 1.023 340 I CA -0.538 60.740 61.300 -0.037 0.000 1.350 340 I CB 0.512 38.505 38.000 -0.012 0.000 1.409 340 I HN 0.684 nan 8.210 nan 0.000 0.507 341 A N 4.607 127.419 122.820 -0.013 0.000 2.483 341 A HA 0.603 4.923 4.320 0.000 0.000 0.238 341 A C 0.738 178.338 177.584 0.028 0.000 1.070 341 A CA 0.758 52.801 52.037 0.009 0.000 0.770 341 A CB 0.009 19.002 19.000 -0.010 0.000 1.008 341 A HN 1.250 nan 8.150 nan 0.000 0.497 342 G N 0.407 109.239 108.800 0.053 0.000 2.353 342 G HA2 0.147 4.107 3.960 0.000 0.000 0.424 342 G HA3 0.147 4.107 3.960 0.000 0.000 0.424 342 G C 0.010 174.981 174.900 0.117 0.000 1.320 342 G CA 0.028 45.170 45.100 0.069 0.000 0.995 342 G HN 0.517 nan 8.290 nan 0.000 0.580 343 E N -0.279 119.993 120.200 0.121 0.000 2.216 343 E HA 0.088 4.438 4.350 0.000 0.000 0.192 343 E C 1.756 178.514 176.600 0.264 0.000 0.988 343 E CA 1.019 57.502 56.400 0.138 0.000 0.834 343 E CB -0.054 29.701 29.700 0.092 0.000 0.772 343 E HN 0.774 nan 8.360 nan 0.000 0.479 344 G N 1.101 110.077 108.800 0.293 0.000 2.563 344 G HA2 0.063 4.023 3.960 0.000 0.000 0.283 344 G HA3 0.063 4.023 3.960 0.000 0.000 0.283 344 G C 0.054 175.055 174.900 0.169 0.000 1.309 344 G CA -0.436 44.829 45.100 0.275 0.000 1.022 344 G HN 0.036 nan 8.290 nan 0.000 0.501 345 N N -0.946 117.549 118.700 -0.342 0.000 2.761 345 N HA 0.229 4.969 4.740 0.000 0.000 0.317 345 N C -1.342 173.930 175.510 -0.397 0.000 1.546 345 N CA -0.462 52.240 53.050 -0.580 0.000 1.015 345 N CB -0.227 37.460 38.487 -1.332 0.000 1.343 345 N HN 0.366 nan 8.380 nan 0.000 0.504 346 Y N 0.332 120.591 120.300 -0.070 0.000 2.308 346 Y HA 0.328 4.878 4.550 0.001 0.000 0.329 346 Y C -0.455 175.472 175.900 0.045 0.000 1.111 346 Y CA -0.500 57.586 58.100 -0.023 0.000 1.179 346 Y CB 0.823 39.262 38.460 -0.036 0.000 1.201 346 Y HN 0.149 nan 8.280 nan 0.000 0.483 347 Y N 1.752 122.106 120.300 0.089 0.000 2.391 347 Y HA 0.677 5.228 4.550 0.001 0.000 0.341 347 Y C -0.237 175.708 175.900 0.075 0.000 0.965 347 Y CA -1.445 56.691 58.100 0.060 0.000 1.067 347 Y CB 1.123 39.609 38.460 0.044 0.000 1.199 347 Y HN 0.763 nan 8.280 nan 0.000 0.450 348 A N 4.021 126.654 122.820 -0.311 0.000 2.498 348 A HA 0.504 4.825 4.320 0.000 0.000 0.239 348 A C 0.164 177.768 177.584 0.033 0.000 1.068 348 A CA 0.071 52.021 52.037 -0.144 0.000 0.766 348 A CB -0.423 18.444 19.000 -0.222 0.000 1.003 348 A HN 1.133 nan 8.150 nan 0.000 0.497 349 A N 2.857 125.691 122.820 0.022 0.000 2.566 349 A HA 0.472 4.793 4.320 0.000 0.000 0.245 349 A C 0.635 178.285 177.584 0.109 0.000 1.056 349 A CA 0.805 52.872 52.037 0.049 0.000 0.757 349 A CB -0.465 18.385 19.000 -0.250 0.000 0.979 349 A HN 0.899 nan 8.150 nan 0.000 0.508 350 T N 1.878 116.604 114.554 0.287 0.000 2.876 350 T HA 0.584 4.934 4.350 0.000 0.000 0.289 350 T C -0.744 174.146 174.700 0.315 0.000 1.014 350 T CA -0.405 61.856 62.100 0.268 0.000 0.986 350 T CB 1.622 70.696 68.868 0.343 0.000 1.021 350 T HN 0.551 nan 8.240 nan 0.000 0.458 351 V N 3.648 123.707 119.914 0.242 0.000 2.623 351 V HA 0.503 4.624 4.120 0.000 0.000 0.304 351 V C -0.826 175.375 176.094 0.178 0.000 1.054 351 V CA -0.802 61.650 62.300 0.253 0.000 0.882 351 V CB 1.691 33.673 31.823 0.266 0.000 1.002 351 V HN 0.708 nan 8.190 nan 0.000 0.424 352 L N 4.253 125.576 121.223 0.167 0.000 2.313 352 L HA 0.917 5.257 4.340 0.000 0.000 0.283 352 L C 0.313 177.254 176.870 0.118 0.000 1.013 352 L CA -0.260 54.660 54.840 0.132 0.000 0.816 352 L CB 1.790 43.928 42.059 0.131 0.000 1.236 352 L HN 0.793 nan 8.230 nan 0.000 0.419 353 A N 1.230 124.108 122.820 0.097 0.000 2.347 353 A HA 0.657 4.977 4.320 0.000 0.000 0.301 353 A C -0.327 177.300 177.584 0.072 0.000 1.163 353 A CA -0.420 51.669 52.037 0.086 0.000 0.860 353 A CB 0.817 19.864 19.000 0.078 0.000 1.367 353 A HN 0.800 nan 8.150 nan 0.000 0.461 354 D N -1.167 119.270 120.400 0.062 0.000 2.837 354 D HA -0.127 4.514 4.640 0.000 0.000 0.230 354 D C -0.255 176.070 176.300 0.041 0.000 1.152 354 D CA 1.124 55.151 54.000 0.045 0.000 0.736 354 D CB -1.907 38.917 40.800 0.039 0.000 1.084 354 D HN 0.328 nan 8.370 nan 0.000 0.429 355 V N 0.906 120.856 119.914 0.059 0.000 2.488 355 V HA 0.362 4.483 4.120 0.000 0.000 0.277 355 V C 1.245 177.326 176.094 -0.021 0.000 1.046 355 V CA 0.290 62.628 62.300 0.064 0.000 0.986 355 V CB 1.465 33.377 31.823 0.148 0.000 0.989 355 V HN 0.349 nan 8.190 nan 0.000 0.475 356 T N 3.095 117.601 114.554 -0.079 0.000 2.952 356 T HA 0.469 4.819 4.350 0.000 0.000 0.286 356 T C -1.954 172.507 174.700 -0.398 0.000 1.024 356 T CA -2.180 59.790 62.100 -0.217 0.000 1.029 356 T CB 1.878 70.677 68.868 -0.115 0.000 1.094 356 T HN 0.369 nan 8.240 nan 0.000 0.515 357 P HA -0.021 nan 4.420 nan 0.000 0.221 357 P C 0.510 177.718 177.300 -0.152 0.000 1.145 357 P CA 0.838 63.468 63.100 -0.784 0.000 0.795 357 P CB -0.090 31.277 31.700 -0.556 0.000 0.775 361 A N 0.336 123.230 122.820 0.123 0.000 2.076 361 A HA 0.138 4.458 4.320 0.000 0.000 0.220 361 A C 1.646 179.318 177.584 0.147 0.000 1.160 361 A CA 1.479 53.588 52.037 0.121 0.000 0.653 361 A CB -0.694 18.382 19.000 0.127 0.000 0.801 361 A HN 0.490 nan 8.150 nan 0.000 0.455 362 F N -0.610 119.363 119.950 0.039 0.000 2.582 362 F HA 0.151 4.678 4.527 0.001 0.000 0.290 362 F C 2.274 178.112 175.800 0.063 0.000 1.115 362 F CA 0.580 58.601 58.000 0.036 0.000 1.445 362 F CB 0.244 39.261 39.000 0.029 0.000 1.126 362 F HN 0.061 nan 8.300 nan 0.000 0.574 363 R N -0.621 120.013 120.500 0.223 0.000 2.237 363 R HA 0.164 4.505 4.340 0.000 0.000 0.195 363 R C 0.092 176.517 176.300 0.208 0.000 0.956 363 R CA 0.172 56.390 56.100 0.197 0.000 1.029 363 R CB 0.082 30.495 30.300 0.188 0.000 0.972 363 R HN 0.207 nan 8.270 nan 0.000 0.493 364 Q N 1.033 120.931 119.800 0.163 0.000 2.248 364 Q HA 0.193 4.533 4.340 0.000 0.000 0.263 364 Q C -0.712 175.317 176.000 0.048 0.000 1.007 364 Q CA -0.390 55.521 55.803 0.180 0.000 0.877 364 Q CB 1.720 30.529 28.738 0.118 0.000 1.315 364 Q HN 0.063 nan 8.270 nan 0.000 0.454 365 E N 1.959 122.134 120.200 -0.043 0.000 2.265 365 E HA 0.113 4.463 4.350 0.000 0.000 0.272 365 E C -0.726 175.854 176.600 -0.033 0.000 1.067 365 E CA -0.098 56.158 56.400 -0.240 0.000 0.900 365 E CB 0.268 29.741 29.700 -0.378 0.000 1.017 365 E HN 0.375 nan 8.360 nan 0.000 0.431 366 L N 6.381 127.591 121.223 -0.023 0.000 2.302 366 L HA 0.205 4.545 4.340 0.000 0.000 0.285 366 L C -0.105 176.820 176.870 0.092 0.000 1.090 366 L CA -0.432 54.429 54.840 0.035 0.000 0.866 366 L CB 0.005 42.070 42.059 0.010 0.000 1.244 366 L HN 0.640 nan 8.230 nan 0.000 0.435 367 F N 3.351 123.276 119.950 -0.042 0.000 2.640 367 F HA 0.550 5.077 4.527 0.000 0.000 0.331 367 F C 0.794 176.609 175.800 0.025 0.000 1.200 367 F CA -0.350 57.644 58.000 -0.010 0.000 1.278 367 F CB 0.202 39.215 39.000 0.023 0.000 1.571 367 F HN 0.414 nan 8.300 nan 0.000 0.576 368 G N 1.717 110.468 108.800 -0.082 0.000 2.428 368 G HA2 0.256 4.216 3.960 0.000 0.000 0.304 368 G HA3 0.256 4.216 3.960 0.000 0.000 0.304 368 G C -3.093 171.801 174.900 -0.011 0.000 1.303 368 G CA -0.798 44.264 45.100 -0.064 0.000 0.825 368 G HN -0.153 nan 8.290 nan 0.000 0.484 369 P HA 0.378 nan 4.420 nan 0.000 0.220 369 P C -0.649 176.853 177.300 0.336 0.000 1.806 369 P CA -0.127 63.135 63.100 0.269 0.000 0.976 369 P CB 0.379 32.317 31.700 0.397 0.000 1.952 370 V N 1.332 121.339 119.914 0.154 0.000 2.447 370 V HA 0.552 4.673 4.120 0.000 0.000 0.292 370 V C 0.365 176.539 176.094 0.133 0.000 1.021 370 V CA -1.038 61.378 62.300 0.194 0.000 0.850 370 V CB 1.662 33.574 31.823 0.150 0.000 1.005 370 V HN 0.322 nan 8.190 nan 0.000 0.426 371 A N 3.963 126.916 122.820 0.221 0.000 2.327 371 A HA 0.907 5.228 4.320 0.000 0.000 0.283 371 A C 0.274 177.991 177.584 0.222 0.000 1.127 371 A CA -0.052 52.143 52.037 0.264 0.000 0.810 371 A CB 1.020 20.247 19.000 0.379 0.000 1.066 371 A HN 1.341 nan 8.150 nan 0.000 0.492 372 A N 2.347 125.301 122.820 0.222 0.000 2.331 372 A HA 0.718 5.038 4.320 0.000 0.000 0.320 372 A C -0.573 177.147 177.584 0.227 0.000 1.138 372 A CA -0.412 51.736 52.037 0.185 0.000 0.790 372 A CB 0.473 19.559 19.000 0.143 0.000 1.206 372 A HN 0.731 nan 8.150 nan 0.000 0.470 373 I N 2.053 122.726 120.570 0.172 0.000 2.418 373 I HA 0.393 4.564 4.170 0.000 0.000 0.287 373 I C -0.347 175.848 176.117 0.130 0.000 1.008 373 I CA -0.213 61.178 61.300 0.152 0.000 1.104 373 I CB 2.330 40.387 38.000 0.095 0.000 1.264 373 I HN 0.545 nan 8.210 nan 0.000 0.438 374 T N 5.243 119.872 114.554 0.126 0.000 2.841 374 T HA 0.445 4.795 4.350 0.000 0.000 0.283 374 T C -0.289 174.433 174.700 0.037 0.000 1.000 374 T CA -0.455 61.695 62.100 0.083 0.000 0.977 374 T CB 2.304 71.251 68.868 0.131 0.000 0.979 374 T HN 0.140 nan 8.240 nan 0.000 0.446 375 V N 2.706 122.634 119.914 0.023 0.000 2.465 375 V HA 0.698 4.819 4.120 0.000 0.000 0.279 375 V C 0.348 176.456 176.094 0.023 0.000 1.045 375 V CA -0.713 61.603 62.300 0.026 0.000 0.938 375 V CB 1.121 32.971 31.823 0.045 0.000 0.986 375 V HN 1.070 nan 8.190 nan 0.000 0.467 376 A N 4.209 127.040 122.820 0.018 0.000 2.317 376 A HA 0.553 4.874 4.320 0.000 0.000 0.327 376 A C 0.916 178.615 177.584 0.191 0.000 1.178 376 A CA -0.652 51.419 52.037 0.056 0.000 0.817 376 A CB 0.851 19.812 19.000 -0.065 0.000 1.189 376 A HN 0.883 nan 8.150 nan 0.000 0.489 377 K N 0.287 120.918 120.400 0.385 0.000 2.057 377 K HA -0.098 4.222 4.320 0.000 0.000 0.207 377 K C -0.122 176.538 176.600 0.100 0.000 1.049 377 K CA 1.996 58.374 56.287 0.151 0.000 0.931 377 K CB -0.105 32.410 32.500 0.025 0.000 0.714 377 K HN 0.960 nan 8.250 nan 0.000 0.440 378 D N -3.690 116.784 120.400 0.123 0.000 2.779 378 D HA 0.204 4.845 4.640 0.000 0.000 0.331 378 D C 0.131 176.475 176.300 0.074 0.000 1.331 378 D CA -0.195 53.849 54.000 0.074 0.000 0.866 378 D CB 0.234 41.065 40.800 0.052 0.000 1.409 378 D HN -0.138 nan 8.370 nan 0.000 0.486 379 A N 0.047 122.894 122.820 0.046 0.000 1.902 379 A HA 0.160 4.480 4.320 0.000 0.000 0.217 379 A C 2.152 179.760 177.584 0.040 0.000 1.181 379 A CA 2.980 55.036 52.037 0.031 0.000 0.623 379 A CB -1.380 17.631 19.000 0.017 0.000 0.818 379 A HN 0.819 nan 8.150 nan 0.000 0.443 380 A N -1.297 121.554 122.820 0.052 0.000 1.902 380 A HA -0.238 4.083 4.320 0.000 0.000 0.217 380 A C 2.114 179.763 177.584 0.109 0.000 1.181 380 A CA 1.805 53.879 52.037 0.060 0.000 0.623 380 A CB -1.022 18.007 19.000 0.048 0.000 0.818 380 A HN 0.799 nan 8.150 nan 0.000 0.443 381 H N -0.622 118.452 119.070 0.006 0.000 2.387 381 H HA -0.043 4.514 4.556 0.001 0.000 0.299 381 H C 2.340 177.679 175.328 0.019 0.000 1.090 381 H CA 1.022 57.075 56.048 0.008 0.000 1.332 381 H CB 0.022 29.785 29.762 0.002 0.000 1.386 381 H HN 0.471 nan 8.280 nan 0.000 0.516 382 A N 1.205 124.021 122.820 -0.007 0.000 1.883 382 A HA -0.182 4.138 4.320 0.000 0.000 0.217 382 A C 2.396 179.960 177.584 -0.032 0.000 1.186 382 A CA 1.516 53.515 52.037 -0.064 0.000 0.624 382 A CB -0.839 18.145 19.000 -0.026 0.000 0.822 382 A HN 0.452 nan 8.150 nan 0.000 0.444 383 L N -0.263 120.959 121.223 -0.001 0.000 2.046 383 L HA -0.077 4.264 4.340 0.000 0.000 0.208 383 L C 2.652 179.534 176.870 0.019 0.000 1.077 383 L CA 2.305 57.148 54.840 0.005 0.000 0.747 383 L CB -0.772 41.292 42.059 0.009 0.000 0.896 383 L HN 0.342 nan 8.230 nan 0.000 0.432 384 A N -0.705 122.138 122.820 0.038 0.000 1.933 384 A HA -0.140 4.180 4.320 0.000 0.000 0.218 384 A C 2.263 179.886 177.584 0.064 0.000 1.175 384 A CA 1.868 53.941 52.037 0.060 0.000 0.628 384 A CB -0.833 18.231 19.000 0.106 0.000 0.814 384 A HN 0.506 nan 8.150 nan 0.000 0.444 385 L N -0.817 120.417 121.223 0.019 0.000 2.056 385 L HA -0.176 4.164 4.340 0.000 0.000 0.207 385 L C 3.117 180.109 176.870 0.204 0.000 1.078 385 L CA 1.001 55.903 54.840 0.104 0.000 0.749 385 L CB -0.538 41.501 42.059 -0.033 0.000 0.901 385 L HN 0.430 nan 8.230 nan 0.000 0.433 386 A N 0.214 123.078 122.820 0.073 0.000 1.908 386 A HA -0.224 4.096 4.320 0.000 0.000 0.218 386 A C 1.945 179.538 177.584 0.015 0.000 1.181 386 A CA 2.079 54.126 52.037 0.017 0.000 0.627 386 A CB -0.537 18.455 19.000 -0.013 0.000 0.818 386 A HN 0.451 nan 8.150 nan 0.000 0.445 387 N N 0.033 118.754 118.700 0.036 0.000 2.467 387 N HA -0.027 4.714 4.740 0.000 0.000 0.184 387 N C -0.114 175.430 175.510 0.057 0.000 1.106 387 N CA 0.544 53.613 53.050 0.031 0.000 0.892 387 N CB -0.140 38.361 38.487 0.022 0.000 0.969 387 N HN 0.432 nan 8.380 nan 0.000 0.454 388 D N 0.660 121.127 120.400 0.112 0.000 2.608 388 D HA 0.130 4.771 4.640 0.000 0.000 0.224 388 D C -0.883 175.520 176.300 0.173 0.000 1.123 388 D CA 0.082 54.178 54.000 0.161 0.000 1.030 388 D CB -0.255 40.682 40.800 0.229 0.000 1.093 388 D HN -0.123 nan 8.370 nan 0.000 0.497 389 S N 1.351 117.098 115.700 0.078 0.000 2.537 389 S HA 0.201 4.671 4.470 0.000 0.000 0.271 389 S C 0.443 175.042 174.600 -0.002 0.000 1.148 389 S CA -0.674 57.558 58.200 0.054 0.000 0.868 389 S CB 1.241 64.462 63.200 0.034 0.000 1.115 389 S HN 0.233 nan 8.310 nan 0.000 0.461 390 E N 1.399 121.544 120.200 -0.093 0.000 2.481 390 E HA 0.109 4.459 4.350 0.000 0.000 0.195 390 E C -0.549 175.816 176.600 -0.391 0.000 1.047 390 E CA 0.555 56.792 56.400 -0.272 0.000 0.867 390 E CB 0.165 29.617 29.700 -0.414 0.000 0.858 390 E HN 0.487 nan 8.360 nan 0.000 0.513 391 F N -0.063 119.857 119.950 -0.049 0.000 2.450 391 F HA 0.534 5.062 4.527 0.000 0.000 0.328 391 F C 1.032 176.793 175.800 -0.064 0.000 1.068 391 F CA -0.684 57.281 58.000 -0.059 0.000 1.007 391 F CB 1.709 40.666 39.000 -0.071 0.000 1.251 391 F HN -0.228 nan 8.300 nan 0.000 0.492 392 G N 1.336 110.220 108.800 0.139 0.000 4.574 392 G HA2 0.298 4.258 3.960 0.000 0.000 0.236 392 G HA3 0.298 4.258 3.960 0.000 0.000 0.236 392 G C -0.430 174.463 174.900 -0.013 0.000 1.733 392 G CA -0.175 44.946 45.100 0.035 0.000 0.605 392 G HN 0.558 nan 8.290 nan 0.000 0.352 393 L N 0.177 121.388 121.223 -0.020 0.000 2.194 393 L HA 0.660 5.000 4.340 0.000 0.000 0.197 393 L C 0.931 177.724 176.870 -0.128 0.000 1.106 393 L CA 1.502 56.278 54.840 -0.108 0.000 0.785 393 L CB 0.195 42.196 42.059 -0.098 0.000 0.960 393 L HN 0.321 nan 8.230 nan 0.000 0.465 394 S N -1.918 113.750 115.700 -0.054 0.000 2.685 394 S HA 0.867 5.338 4.470 0.000 0.000 0.282 394 S C -1.560 173.061 174.600 0.035 0.000 1.159 394 S CA -0.221 57.991 58.200 0.019 0.000 0.833 394 S CB 1.475 64.735 63.200 0.099 0.000 1.151 394 S HN 0.657 nan 8.310 nan 0.000 0.485 395 A N 0.916 123.791 122.820 0.092 0.000 2.612 395 A HA 0.763 5.084 4.320 0.000 0.000 0.293 395 A C -1.167 176.465 177.584 0.080 0.000 1.075 395 A CA -0.582 51.479 52.037 0.041 0.000 0.680 395 A CB 1.522 20.514 19.000 -0.013 0.000 1.279 395 A HN 0.645 nan 8.150 nan 0.000 0.411 396 T N 1.193 115.725 114.554 -0.036 0.000 2.876 396 T HA 0.676 5.026 4.350 0.000 0.000 0.289 396 T C -0.760 173.778 174.700 -0.270 0.000 1.014 396 T CA -0.116 61.884 62.100 -0.166 0.000 0.986 396 T CB 0.925 69.552 68.868 -0.402 0.000 1.021 396 T HN 0.499 nan 8.240 nan 0.000 0.458 397 I N 2.414 122.830 120.570 -0.255 0.000 2.466 397 I HA 0.476 4.646 4.170 0.000 0.000 0.289 397 I C -1.250 174.693 176.117 -0.291 0.000 1.026 397 I CA -0.766 60.408 61.300 -0.209 0.000 1.078 397 I CB 1.683 39.594 38.000 -0.148 0.000 1.249 397 I HN 0.501 nan 8.210 nan 0.000 0.429 398 F N 3.965 123.780 119.950 -0.225 0.000 2.402 398 F HA 0.624 5.152 4.527 0.000 0.000 0.355 398 F C 0.339 176.100 175.800 -0.065 0.000 1.123 398 F CA -0.277 57.646 58.000 -0.127 0.000 1.021 398 F CB 1.895 40.841 39.000 -0.091 0.000 1.160 398 F HN 0.335 nan 8.300 nan 0.000 0.451 399 T N 1.721 116.287 114.554 0.018 0.000 3.087 399 T HA 0.508 4.858 4.350 0.000 0.000 0.351 399 T C 0.122 174.825 174.700 0.005 0.000 1.520 399 T CA -0.040 62.077 62.100 0.029 0.000 1.111 399 T CB 1.188 70.056 68.868 -0.001 0.000 1.353 399 T HN 0.574 nan 8.240 nan 0.000 0.481 400 A N 2.297 125.134 122.820 0.028 0.000 2.206 400 A HA 0.209 4.529 4.320 0.000 0.000 0.211 400 A C 0.913 178.498 177.584 0.001 0.000 1.158 400 A CA 0.503 52.551 52.037 0.017 0.000 0.761 400 A CB -0.213 18.807 19.000 0.034 0.000 0.801 400 A HN 0.720 nan 8.150 nan 0.000 0.473 401 D N 0.677 121.075 120.400 -0.004 0.000 2.435 401 D HA 0.134 4.775 4.640 0.000 0.000 0.230 401 D C -0.060 176.226 176.300 -0.023 0.000 1.215 401 D CA -0.219 53.776 54.000 -0.009 0.000 0.947 401 D CB 0.238 41.035 40.800 -0.004 0.000 1.048 401 D HN 0.156 nan 8.370 nan 0.000 0.512 402 D N 1.619 122.005 120.400 -0.024 0.000 2.116 402 D HA -0.167 4.473 4.640 0.000 0.000 0.193 402 D C 1.675 177.955 176.300 -0.034 0.000 0.998 402 D CA 1.380 55.360 54.000 -0.034 0.000 0.836 402 D CB -0.125 40.659 40.800 -0.026 0.000 0.951 402 D HN 0.389 nan 8.370 nan 0.000 0.449 403 T N 0.962 115.502 114.554 -0.024 0.000 2.708 403 T HA -0.125 4.226 4.350 0.000 0.000 0.266 403 T C 1.903 176.588 174.700 -0.025 0.000 1.037 403 T CA 0.561 62.648 62.100 -0.022 0.000 1.146 403 T CB -0.392 68.467 68.868 -0.015 0.000 0.865 403 T HN 0.023 nan 8.240 nan 0.000 0.435 404 L N 1.455 122.665 121.223 -0.022 0.000 2.042 404 L HA 0.028 4.368 4.340 0.000 0.000 0.210 404 L C 2.600 179.449 176.870 -0.035 0.000 1.076 404 L CA 1.887 56.713 54.840 -0.023 0.000 0.749 404 L CB -1.091 40.959 42.059 -0.016 0.000 0.893 404 L HN 0.230 nan 8.230 nan 0.000 0.432 405 A N -0.490 122.302 122.820 -0.046 0.000 1.883 405 A HA -0.172 4.148 4.320 0.000 0.000 0.217 405 A C 2.467 180.011 177.584 -0.067 0.000 1.186 405 A CA 2.131 54.128 52.037 -0.066 0.000 0.624 405 A CB -1.287 17.662 19.000 -0.086 0.000 0.822 405 A HN 0.574 nan 8.150 nan 0.000 0.444 406 A N -0.188 122.597 122.820 -0.058 0.000 1.902 406 A HA -0.071 4.249 4.320 0.000 0.000 0.217 406 A C 1.282 178.838 177.584 -0.046 0.000 1.181 406 A CA 1.237 53.241 52.037 -0.055 0.000 0.623 406 A CB -0.445 18.527 19.000 -0.046 0.000 0.818 406 A HN 0.690 nan 8.150 nan 0.000 0.443 410 A N 0.491 123.280 122.820 -0.051 0.000 1.978 410 A HA -0.093 4.227 4.320 0.000 0.000 0.220 410 A C 1.938 179.501 177.584 -0.036 0.000 1.170 410 A CA 1.837 53.849 52.037 -0.042 0.000 0.636 410 A CB -0.446 18.533 19.000 -0.034 0.000 0.810 410 A HN 0.502 nan 8.150 nan 0.000 0.448 411 R N -1.355 119.125 120.500 -0.032 0.000 2.312 411 R HA 0.321 4.661 4.340 0.000 0.000 0.205 411 R C -0.397 175.888 176.300 -0.025 0.000 0.904 411 R CA -0.295 55.790 56.100 -0.024 0.000 1.052 411 R CB 0.019 30.309 30.300 -0.017 0.000 1.014 411 R HN 0.364 nan 8.270 nan 0.000 0.503 412 L N 2.277 123.480 121.223 -0.034 0.000 2.360 412 L HA 0.057 4.398 4.340 0.000 0.000 0.276 412 L C 0.157 177.006 176.870 -0.035 0.000 1.121 412 L CA 0.231 55.051 54.840 -0.034 0.000 0.845 412 L CB 0.811 42.844 42.059 -0.043 0.000 1.143 412 L HN 0.026 nan 8.230 nan 0.000 0.452 413 E N 4.029 124.213 120.200 -0.026 0.000 1.972 413 E HA 0.184 4.534 4.350 0.000 0.000 0.292 413 E C -0.633 175.948 176.600 -0.031 0.000 1.193 413 E CA -0.316 56.068 56.400 -0.026 0.000 1.228 413 E CB 0.058 29.748 29.700 -0.016 0.000 1.167 413 E HN 0.601 nan 8.360 nan 0.000 0.479 414 C N -2.920 116.352 119.300 -0.046 0.000 3.321 414 C HA 0.669 5.129 4.460 0.000 0.000 0.329 414 C C 1.346 176.283 174.990 -0.087 0.000 1.394 414 C CA -0.777 58.205 59.018 -0.059 0.000 1.291 414 C CB 0.790 28.501 27.740 -0.048 0.000 1.606 414 C HN 0.465 nan 8.230 nan 0.000 0.463 415 G N -0.554 108.174 108.800 -0.120 0.000 3.042 415 G HA2 0.529 4.489 3.960 0.000 0.000 0.212 415 G HA3 0.529 4.489 3.960 0.000 0.000 0.212 415 G C 0.486 175.288 174.900 -0.163 0.000 1.166 415 G CA 0.538 45.543 45.100 -0.159 0.000 0.767 415 G HN 1.696 nan 8.290 nan 0.000 0.546 416 G N -0.758 107.970 108.800 -0.118 0.000 2.753 416 G HA2 0.484 4.444 3.960 0.000 0.000 0.295 416 G HA3 0.484 4.444 3.960 0.000 0.000 0.295 416 G C -1.855 172.999 174.900 -0.077 0.000 1.437 416 G CA -0.338 44.700 45.100 -0.104 0.000 1.094 416 G HN 0.239 nan 8.290 nan 0.000 0.540 417 V N 1.811 121.581 119.914 -0.240 0.000 2.531 417 V HA 0.570 4.690 4.120 0.000 0.000 0.301 417 V C -1.119 174.745 176.094 -0.383 0.000 1.034 417 V CA -0.712 61.485 62.300 -0.172 0.000 0.865 417 V CB 1.508 33.243 31.823 -0.147 0.000 0.995 417 V HN 0.631 nan 8.190 nan 0.000 0.424 418 F N 4.723 124.615 119.950 -0.098 0.000 2.426 418 F HA 0.614 5.141 4.527 0.000 0.000 0.348 418 F C 0.153 175.824 175.800 -0.215 0.000 1.124 418 F CA -0.464 57.469 58.000 -0.113 0.000 1.008 418 F CB 1.518 40.486 39.000 -0.054 0.000 1.139 418 F HN 0.258 nan 8.300 nan 0.000 0.452 419 I N 4.612 125.104 120.570 -0.129 0.000 2.312 419 I HA 0.213 4.383 4.170 0.000 0.000 0.290 419 I C -0.322 175.560 176.117 -0.391 0.000 1.008 419 I CA -0.620 60.524 61.300 -0.261 0.000 1.226 419 I CB 0.735 38.618 38.000 -0.196 0.000 1.371 419 I HN 0.597 nan 8.210 nan 0.000 0.468 420 N N 4.690 122.865 118.700 -0.874 0.000 2.714 420 N HA -0.157 4.583 4.740 0.000 0.000 0.253 420 N C -0.240 174.931 175.510 -0.565 0.000 1.024 420 N CA 1.054 53.354 53.050 -1.249 0.000 0.726 420 N CB -0.825 37.339 38.487 -0.539 0.000 0.908 420 N HN 1.002 nan 8.380 nan 0.000 0.542 421 G N -1.392 107.186 108.800 -0.368 0.000 2.554 421 G HA2 0.527 4.487 3.960 0.000 0.000 0.306 421 G HA3 0.527 4.487 3.960 0.000 0.000 0.306 421 G C -1.824 173.180 174.900 0.174 0.000 1.320 421 G CA -0.869 44.300 45.100 0.114 0.000 0.800 421 G HN 0.058 nan 8.290 nan 0.000 0.481 422 Y N 1.665 122.056 120.300 0.152 0.000 2.353 422 Y HA 0.467 5.018 4.550 0.001 0.000 0.340 422 Y C 1.176 176.881 175.900 -0.325 0.000 0.972 422 Y CA -0.439 57.691 58.100 0.049 0.000 1.157 422 Y CB 1.684 40.172 38.460 0.047 0.000 1.157 422 Y HN 0.565 nan 8.280 nan 0.000 0.495 423 S N 2.430 117.851 115.700 -0.465 0.000 2.562 423 S HA 0.765 5.236 4.470 0.000 0.000 0.281 423 S C -0.079 174.125 174.600 -0.661 0.000 1.333 423 S CA -0.259 57.120 58.200 -1.369 0.000 1.052 423 S CB 1.148 63.871 63.200 -0.796 0.000 0.884 423 S HN 0.879 nan 8.310 nan 0.000 0.506 424 A N 2.011 124.453 122.820 -0.630 0.000 2.601 424 A HA 0.720 5.040 4.320 0.000 0.000 0.291 424 A C -0.187 177.396 177.584 -0.001 0.000 1.075 424 A CA -0.606 51.307 52.037 -0.207 0.000 0.671 424 A CB 0.611 19.505 19.000 -0.177 0.000 1.277 424 A HN 1.584 nan 8.150 nan 0.000 0.417 425 S N 0.620 116.249 115.700 -0.119 0.000 2.610 425 S HA 0.722 5.192 4.470 0.000 0.000 0.273 425 S C -0.703 173.847 174.600 -0.083 0.000 1.274 425 S CA -0.306 57.838 58.200 -0.094 0.000 1.023 425 S CB 1.480 64.442 63.200 -0.396 0.000 0.962 425 S HN 0.843 nan 8.310 nan 0.000 0.523 426 D N -0.148 120.250 120.400 -0.004 0.000 2.886 426 D HA 0.368 5.008 4.640 0.000 0.000 0.216 426 D C 0.643 176.848 176.300 -0.159 0.000 1.256 426 D CA -0.427 53.517 54.000 -0.094 0.000 0.844 426 D CB 1.961 42.712 40.800 -0.080 0.000 1.669 426 D HN 0.566 nan 8.370 nan 0.000 0.513 427 A N 3.549 126.165 122.820 -0.341 0.000 2.032 427 A HA -0.175 4.145 4.320 0.000 0.000 0.221 427 A C 1.789 178.789 177.584 -0.972 0.000 1.165 427 A CA 1.287 52.913 52.037 -0.685 0.000 0.645 427 A CB -0.203 18.112 19.000 -1.141 0.000 0.807 427 A HN 0.626 nan 8.150 nan 0.000 0.453 428 R N -0.996 119.047 120.500 -0.762 0.000 2.276 428 R HA 0.123 4.463 4.340 0.000 0.000 0.203 428 R C 0.285 176.509 176.300 -0.127 0.000 1.017 428 R CA 0.785 56.623 56.100 -0.436 0.000 1.010 428 R CB -0.160 30.001 30.300 -0.231 0.000 0.900 428 R HN 0.542 nan 8.270 nan 0.000 0.469 429 V N -4.202 115.660 119.914 -0.087 0.000 3.102 429 V HA 0.795 4.915 4.120 0.000 0.000 0.312 429 V C -0.465 175.675 176.094 0.077 0.000 1.135 429 V CA -1.592 60.723 62.300 0.025 0.000 1.022 429 V CB 1.746 33.575 31.823 0.011 0.000 1.056 429 V HN -0.028 nan 8.190 nan 0.000 0.436 430 A N 2.171 125.013 122.820 0.036 0.000 2.407 430 A HA 0.740 5.060 4.320 0.000 0.000 0.248 430 A C -0.867 176.750 177.584 0.055 0.000 1.082 430 A CA -0.034 51.964 52.037 -0.066 0.000 0.785 430 A CB 0.133 18.782 19.000 -0.587 0.000 1.020 430 A HN 1.427 nan 8.150 nan 0.000 0.489 431 F N 0.986 120.898 119.950 -0.064 0.000 2.547 431 F HA 0.646 5.173 4.527 0.000 0.000 0.316 431 F C 0.295 176.074 175.800 -0.034 0.000 1.121 431 F CA 0.798 58.788 58.000 -0.016 0.000 0.911 431 F CB 1.947 40.971 39.000 0.040 0.000 1.179 431 F HN 1.188 nan 8.300 nan 0.000 0.443 432 G N 2.313 110.725 108.800 -0.646 0.000 2.361 432 G HA2 0.455 4.416 3.960 0.000 0.000 0.305 432 G HA3 0.455 4.416 3.960 0.000 0.000 0.305 432 G C -1.506 173.186 174.900 -0.347 0.000 1.367 432 G CA -0.209 44.636 45.100 -0.425 0.000 0.951 432 G HN 1.173 nan 8.290 nan 0.000 0.615 433 G N -1.855 106.816 108.800 -0.215 0.000 3.251 433 G HA2 1.067 5.027 3.960 0.000 0.000 0.248 433 G HA3 1.067 5.027 3.960 0.000 0.000 0.248 433 G C -0.161 174.702 174.900 -0.062 0.000 1.320 433 G CA 0.527 45.540 45.100 -0.144 0.000 0.982 433 G HN 2.074 nan 8.290 nan 0.000 0.575 434 V N -3.788 116.105 119.914 -0.035 0.000 3.119 434 V HA 0.842 4.962 4.120 0.000 0.000 0.311 434 V C 0.511 176.607 176.094 0.003 0.000 1.259 434 V CA -0.367 61.932 62.300 -0.002 0.000 1.067 434 V CB 1.009 32.822 31.823 -0.017 0.000 1.123 434 V HN 1.116 nan 8.190 nan 0.000 0.463 435 K N -0.845 119.558 120.400 0.004 0.000 1.939 435 K HA -0.272 4.049 4.320 0.000 0.000 0.165 435 K C 1.060 177.640 176.600 -0.034 0.000 1.508 435 K CA 1.810 58.083 56.287 -0.023 0.000 0.525 435 K CB -1.162 31.307 32.500 -0.051 0.000 0.615 435 K HN 0.815 nan 8.250 nan 0.000 0.888 436 K N 1.115 121.443 120.400 -0.120 0.000 2.525 436 K HA 0.051 4.372 4.320 0.000 0.000 0.192 436 K C 1.593 178.159 176.600 -0.056 0.000 1.029 436 K CA 0.775 56.973 56.287 -0.150 0.000 1.029 436 K CB 0.049 32.343 32.500 -0.343 0.000 0.814 436 K HN 0.281 nan 8.250 nan 0.000 0.503 437 S N 0.471 116.183 115.700 0.020 0.000 2.507 437 S HA 0.016 4.486 4.470 0.000 0.000 0.235 437 S C 0.990 175.571 174.600 -0.032 0.000 0.988 437 S CA 0.653 58.891 58.200 0.063 0.000 0.944 437 S CB 0.068 63.308 63.200 0.066 0.000 0.762 437 S HN 0.661 nan 8.310 nan 0.000 0.526 438 G N 1.023 109.794 108.800 -0.048 0.000 2.358 438 G HA2 0.094 4.054 3.960 0.000 0.000 0.198 438 G HA3 0.094 4.054 3.960 0.000 0.000 0.198 438 G C -0.930 173.950 174.900 -0.034 0.000 1.220 438 G CA -0.420 44.579 45.100 -0.167 0.000 1.187 438 G HN 0.740 nan 8.290 nan 0.000 0.544 439 F N -2.250 117.687 119.950 -0.021 0.000 2.807 439 F HA 0.772 5.300 4.527 0.000 0.000 0.316 439 F C 0.473 176.260 175.800 -0.022 0.000 1.162 439 F CA -0.010 57.971 58.000 -0.031 0.000 0.910 439 F CB 0.895 39.879 39.000 -0.027 0.000 1.314 439 F HN 2.543 nan 8.300 nan 0.000 0.454 440 G N 1.337 110.297 108.800 0.267 0.000 2.730 440 G HA2 0.309 4.269 3.960 0.000 0.000 0.686 440 G HA3 0.309 4.269 3.960 0.000 0.000 0.686 440 G C -1.716 173.210 174.900 0.043 0.000 1.343 440 G CA -1.024 44.164 45.100 0.146 0.000 0.826 440 G HN 0.855 nan 8.290 nan 0.000 0.582 441 R N 0.437 120.964 120.500 0.045 0.000 2.686 441 R HA 0.564 4.905 4.340 0.000 0.000 0.283 441 R C -0.125 176.251 176.300 0.125 0.000 0.978 441 R CA -0.733 55.380 56.100 0.022 0.000 0.897 441 R CB 1.950 32.171 30.300 -0.131 0.000 1.192 441 R HN 0.767 nan 8.270 nan 0.000 0.457 442 E N 1.815 122.113 120.200 0.165 0.000 2.232 442 E HA 0.607 4.958 4.350 0.000 0.000 0.264 442 E C -0.116 176.618 176.600 0.224 0.000 0.973 442 E CA -0.880 55.639 56.400 0.199 0.000 0.849 442 E CB 1.593 31.402 29.700 0.182 0.000 1.198 442 E HN 0.326 nan 8.360 nan 0.000 0.407 443 L N 0.140 121.496 121.223 0.222 0.000 0.640 443 L HA -0.349 3.991 4.340 0.000 0.000 0.356 443 L C 0.792 177.824 176.870 0.272 0.000 0.995 443 L CA 0.577 55.566 54.840 0.248 0.000 1.223 443 L CB -1.427 40.715 42.059 0.138 0.000 0.095 443 L HN 0.918 nan 8.230 nan 0.000 0.099 444 S N -0.057 115.729 115.700 0.144 0.000 3.366 444 S HA -0.335 4.135 4.470 0.000 0.000 0.625 444 S C 1.117 175.801 174.600 0.140 0.000 2.797 444 S CA 2.291 60.561 58.200 0.115 0.000 3.953 444 S CB -0.521 62.728 63.200 0.082 0.000 0.301 444 S HN 1.477 nan 8.310 nan 0.000 1.237 445 H N -0.127 118.862 119.070 -0.134 0.000 2.535 445 H HA 0.320 4.877 4.556 0.000 0.000 0.273 445 H C 1.736 176.763 175.328 -0.501 0.000 0.983 445 H CA 1.360 57.152 56.048 -0.427 0.000 1.238 445 H CB -0.627 28.782 29.762 -0.589 0.000 1.412 445 H HN 0.374 nan 8.280 nan 0.000 0.562 446 F N 1.596 121.404 119.950 -0.237 0.000 2.102 446 F HA 0.017 4.545 4.527 0.001 0.000 0.298 446 F C 2.804 178.610 175.800 0.010 0.000 1.105 446 F CA 1.412 59.369 58.000 -0.072 0.000 1.239 446 F CB -0.845 38.093 39.000 -0.104 0.000 0.991 446 F HN 0.404 nan 8.300 nan 0.000 0.474 447 G N -0.239 108.696 108.800 0.225 0.000 2.443 447 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 447 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 447 G C 1.650 176.637 174.900 0.144 0.000 1.131 447 G CA 0.715 45.928 45.100 0.188 0.000 0.775 447 G HN 0.322 nan 8.290 nan 0.000 0.547 448 L N -0.561 120.703 121.223 0.070 0.000 2.072 448 L HA 0.130 4.471 4.340 0.000 0.000 0.205 448 L C 2.575 179.517 176.870 0.119 0.000 1.079 448 L CA 1.564 56.422 54.840 0.031 0.000 0.752 448 L CB -0.236 41.791 42.059 -0.052 0.000 0.906 448 L HN 0.370 nan 8.230 nan 0.000 0.436 449 H N -1.567 117.549 119.070 0.076 0.000 2.535 449 H HA 0.001 4.557 4.556 0.000 0.000 0.273 449 H C 1.698 177.067 175.328 0.068 0.000 0.983 449 H CA 0.313 56.408 56.048 0.080 0.000 1.238 449 H CB 0.390 30.184 29.762 0.053 0.000 1.412 449 H HN 0.323 nan 8.280 nan 0.000 0.562 450 E N 0.732 120.979 120.200 0.079 0.000 2.160 450 E HA -0.145 4.206 4.350 0.000 0.000 0.195 450 E C 0.146 176.439 176.600 -0.512 0.000 0.991 450 E CA 1.034 57.279 56.400 -0.259 0.000 0.810 450 E CB 0.036 29.448 29.700 -0.479 0.000 0.742 450 E HN 0.487 nan 8.360 nan 0.000 0.466 451 F N -0.434 119.613 119.950 0.161 0.000 2.923 451 F HA 0.188 4.715 4.527 0.001 0.000 0.314 451 F C 0.191 176.082 175.800 0.152 0.000 1.196 451 F CA -0.565 57.513 58.000 0.130 0.000 1.320 451 F CB 0.298 39.359 39.000 0.102 0.000 0.953 451 F HN -0.196 nan 8.300 nan 0.000 0.505 452 C N 0.511 119.968 119.300 0.262 0.000 2.397 452 C HA 0.396 4.856 4.460 0.000 0.000 0.343 452 C C 0.621 175.718 174.990 0.178 0.000 1.188 452 C CA -1.012 58.162 59.018 0.259 0.000 1.992 452 C CB 0.992 28.945 27.740 0.355 0.000 2.358 452 C HN 0.450 nan 8.230 nan 0.000 0.518 453 N N 1.513 120.303 118.700 0.149 0.000 2.439 453 N HA 0.178 4.918 4.740 0.000 0.000 0.243 453 N C -0.662 174.865 175.510 0.029 0.000 1.088 453 N CA -0.032 53.069 53.050 0.085 0.000 0.940 453 N CB 0.519 39.058 38.487 0.087 0.000 1.180 453 N HN 0.422 nan 8.380 nan 0.000 0.505 454 V N 4.259 124.160 119.914 -0.021 0.000 2.421 454 V HA 0.081 4.202 4.120 0.000 0.000 0.271 454 V C 0.462 176.472 176.094 -0.141 0.000 1.031 454 V CA 0.025 62.221 62.300 -0.173 0.000 1.032 454 V CB 0.122 31.849 31.823 -0.160 0.000 1.009 454 V HN 0.655 nan 8.190 nan 0.000 0.477 455 Q N 3.536 123.233 119.800 -0.173 0.000 2.325 455 Q HA 0.347 4.688 4.340 0.000 0.000 0.270 455 Q C -0.557 175.383 176.000 -0.100 0.000 1.020 455 Q CA -0.526 55.223 55.803 -0.091 0.000 0.785 455 Q CB 1.708 30.419 28.738 -0.046 0.000 1.259 455 Q HN 0.719 nan 8.270 nan 0.000 0.452 456 T N 2.768 117.291 114.554 -0.052 0.000 2.814 456 T HA 0.280 4.630 4.350 0.000 0.000 0.297 456 T C -0.487 174.230 174.700 0.028 0.000 0.956 456 T CA -0.169 61.918 62.100 -0.021 0.000 1.123 456 T CB 0.658 69.548 68.868 0.036 0.000 0.902 456 T HN 0.344 nan 8.240 nan 0.000 0.528 457 V N 4.952 124.880 119.914 0.023 0.000 2.407 457 V HA 0.424 4.544 4.120 0.000 0.000 0.291 457 V C -0.922 175.255 176.094 0.139 0.000 1.018 457 V CA -1.003 61.339 62.300 0.070 0.000 0.842 457 V CB 1.416 33.255 31.823 0.027 0.000 0.996 457 V HN 0.811 nan 8.190 nan 0.000 0.426 458 W N 6.986 128.270 121.300 -0.026 0.000 2.554 458 W HA 0.571 5.231 4.660 0.000 0.000 0.324 458 W C -0.403 176.106 176.519 -0.017 0.000 1.018 458 W CA -1.589 55.742 57.345 -0.022 0.000 1.243 458 W CB 2.055 31.501 29.460 -0.022 0.000 1.345 458 W HN 0.675 nan 8.180 nan 0.000 0.441 459 K N 4.362 125.000 120.400 0.396 0.000 2.123 459 K HA 0.431 4.751 4.320 0.000 0.000 0.259 459 K C 0.355 177.078 176.600 0.206 0.000 0.960 459 K CA -0.508 55.903 56.287 0.207 0.000 0.872 459 K CB 1.009 33.582 32.500 0.122 0.000 1.079 459 K HN 0.422 nan 8.250 nan 0.000 0.440 460 N N 0.961 119.702 118.700 0.068 0.000 2.754 460 N HA -0.192 4.548 4.740 0.000 0.000 0.248 460 N C -0.937 174.570 175.510 -0.005 0.000 1.093 460 N CA 0.720 53.790 53.050 0.033 0.000 0.699 460 N CB -0.984 37.541 38.487 0.064 0.000 1.016 460 N HN 0.739 nan 8.380 nan 0.000 0.552 461 R N 0.965 121.359 120.500 -0.177 0.000 2.272 461 R HA 0.383 4.723 4.340 0.000 0.000 0.334 461 R C -0.401 175.761 176.300 -0.229 0.000 1.117 461 R CA -0.070 55.811 56.100 -0.364 0.000 0.966 461 R CB 0.392 30.050 30.300 -1.070 0.000 1.049 461 R HN 0.018 nan 8.270 nan 0.000 0.477 462 V N 0.000 119.846 119.914 -0.113 0.000 2.409 462 V HA 0.000 4.120 4.120 0.000 0.000 0.244 462 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 462 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556