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 3g5s_1_A DATA FIRST_RESID 2 DATA SEQUENCE ERVNVVGAGL AGSEAAWTLL RLGVPVRLFE XRPKRXTPAH GTDRFAEIVC DATA SEQUENCE SNSLGGEGET NAKGLLQAEX RRAGSLVXEA ADLARVPAGG ALAVDREEFS DATA SEQUENCE GYITERLTGH PLLEVVREEV REIPPGITVL ATGPLTSEAL AEALKRRFGD DATA SEQUENCE HFLAYYDAAS PIVLYESIDL TKCFRAGRYX XXXXYLNCPX TEEEYRRFHQ DATA SEQUENCE ALLEAQRHTP HXXXXXXXFE ACVPVEELAR RGYQTLLFGP XKPVGLVDPR DATA SEQUENCE TGKEPFAVVQ LRQEDKAGRX WSLVGFQTGL KWPEQKRLIQ XIPGLENAEI DATA SEQUENCE VRYGVXHRNT YLNAPRLLGE TLEFREAEGL YAAGVLAGVE GYLESAATGF DATA SEQUENCE LAGLNAARKA LGLPPVAPPE ESXLGGLVRY LATANPEGFQ PXYANWGLVP DATA SEQUENCE PVEGRXGKKE KRQAXYRRGL EAFSAWLSGL NPPLP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.604 176.600 0.006 0.000 1.382 2 E CA 0.000 56.406 56.400 0.009 0.000 0.976 2 E CB 0.000 29.706 29.700 0.009 0.000 0.812 3 R N 1.570 122.078 120.500 0.013 0.000 2.725 3 R HA 0.641 4.981 4.340 -0.001 0.000 0.277 3 R C -0.965 175.351 176.300 0.027 0.000 0.987 3 R CA -1.163 54.942 56.100 0.008 0.000 0.901 3 R CB 2.122 32.420 30.300 -0.003 0.000 1.207 3 R HN 0.231 nan 8.270 nan 0.000 0.463 4 V N 3.098 123.023 119.914 0.018 0.000 2.555 4 V HA 0.070 4.190 4.120 -0.001 0.000 0.286 4 V C 0.147 176.281 176.094 0.066 0.000 1.044 4 V CA -0.426 61.898 62.300 0.040 0.000 1.026 4 V CB 0.838 32.668 31.823 0.012 0.000 0.981 4 V HN 0.626 nan 8.190 nan 0.000 0.480 5 N N 3.671 122.444 118.700 0.122 0.000 2.497 5 N HA 0.319 5.058 4.740 -0.001 0.000 0.271 5 N C -0.688 174.926 175.510 0.172 0.000 1.142 5 N CA -0.151 53.025 53.050 0.209 0.000 0.965 5 N CB 1.888 40.533 38.487 0.264 0.000 1.077 5 N HN 0.384 nan 8.380 nan 0.000 0.462 6 V N 2.548 122.574 119.914 0.187 0.000 2.407 6 V HA 0.240 4.360 4.120 -0.001 0.000 0.291 6 V C -0.055 176.163 176.094 0.208 0.000 1.018 6 V CA -0.824 61.559 62.300 0.139 0.000 0.842 6 V CB 1.883 33.739 31.823 0.054 0.000 0.996 6 V HN 0.296 nan 8.190 nan 0.000 0.426 7 V N 4.114 124.126 119.914 0.163 0.000 2.318 7 V HA 0.872 4.991 4.120 -0.001 0.000 0.271 7 V C 0.618 176.773 176.094 0.100 0.000 1.030 7 V CA 0.252 62.637 62.300 0.141 0.000 0.844 7 V CB 0.698 32.537 31.823 0.027 0.000 1.015 7 V HN 1.275 nan 8.190 nan 0.000 0.460 8 G N 4.143 113.000 108.800 0.094 0.000 3.367 8 G HA2 0.294 4.254 3.960 -0.001 0.000 0.686 8 G HA3 0.294 4.254 3.960 -0.001 0.000 0.686 8 G C -0.235 174.668 174.900 0.006 0.000 1.146 8 G CA -0.327 44.806 45.100 0.055 0.000 0.913 8 G HN 1.457 nan 8.290 nan 0.000 0.554 9 A N 1.857 124.655 122.820 -0.038 0.000 3.159 9 A HA 0.795 5.115 4.320 -0.001 0.000 0.301 9 A C 1.334 178.940 177.584 0.037 0.000 1.271 9 A CA 1.087 53.039 52.037 -0.141 0.000 0.998 9 A CB -0.213 18.489 19.000 -0.496 0.000 1.101 9 A HN 2.046 nan 8.150 nan 0.000 0.610 10 G N -0.707 108.148 108.800 0.092 0.000 2.714 10 G HA2 0.389 4.349 3.960 -0.001 0.000 0.197 10 G HA3 0.389 4.349 3.960 -0.001 0.000 0.197 10 G C 0.967 175.972 174.900 0.176 0.000 1.449 10 G CA -0.359 44.848 45.100 0.179 0.000 1.065 10 G HN 0.111 nan 8.290 nan 0.000 0.575 11 L N 0.239 121.591 121.223 0.216 0.000 1.994 11 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 11 L C 3.330 180.307 176.870 0.178 0.000 1.071 11 L CA 2.368 57.341 54.840 0.221 0.000 0.745 11 L CB -1.495 40.727 42.059 0.271 0.000 0.892 11 L HN 0.552 nan 8.230 nan 0.000 0.431 12 A N -0.230 122.690 122.820 0.166 0.000 1.873 12 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 12 A C 2.395 180.053 177.584 0.122 0.000 1.186 12 A CA 1.544 53.670 52.037 0.148 0.000 0.616 12 A CB -1.088 17.997 19.000 0.142 0.000 0.823 12 A HN 0.431 nan 8.150 nan 0.000 0.442 13 G N -0.884 107.974 108.800 0.096 0.000 2.408 13 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.217 13 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.217 13 G C 1.782 176.698 174.900 0.028 0.000 1.150 13 G CA 1.244 46.377 45.100 0.055 0.000 0.776 13 G HN 0.468 nan 8.290 nan 0.000 0.542 14 S N 0.399 116.118 115.700 0.032 0.000 2.368 14 S HA -0.093 4.377 4.470 -0.001 0.000 0.225 14 S C 2.182 176.846 174.600 0.106 0.000 1.030 14 S CA 1.551 59.766 58.200 0.024 0.000 0.999 14 S CB -0.154 63.070 63.200 0.039 0.000 0.844 14 S HN 0.472 nan 8.310 nan 0.000 0.459 15 E N 1.575 121.859 120.200 0.140 0.000 2.106 15 E HA 0.027 4.377 4.350 -0.001 0.000 0.192 15 E C 2.010 178.750 176.600 0.234 0.000 0.984 15 E CA 1.084 57.615 56.400 0.219 0.000 0.806 15 E CB -0.433 29.406 29.700 0.231 0.000 0.750 15 E HN 0.395 nan 8.360 nan 0.000 0.458 16 A N 0.876 123.786 122.820 0.151 0.000 1.883 16 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 16 A C 2.452 180.075 177.584 0.065 0.000 1.186 16 A CA 2.205 54.294 52.037 0.087 0.000 0.624 16 A CB -1.146 17.885 19.000 0.051 0.000 0.822 16 A HN 0.377 nan 8.150 nan 0.000 0.444 17 A N -1.478 121.383 122.820 0.068 0.000 1.883 17 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 17 A C 2.166 179.802 177.584 0.086 0.000 1.186 17 A CA 1.424 53.484 52.037 0.038 0.000 0.624 17 A CB -1.012 17.992 19.000 0.007 0.000 0.822 17 A HN 0.851 nan 8.150 nan 0.000 0.444 18 W N 1.018 122.294 121.300 -0.039 0.000 2.363 18 W HA -0.175 4.485 4.660 -0.001 0.000 0.296 18 W C 1.860 178.375 176.519 -0.007 0.000 1.212 18 W CA 2.003 59.332 57.345 -0.027 0.000 1.260 18 W CB -0.301 29.178 29.460 0.031 0.000 1.131 18 W HN 0.399 nan 8.180 nan 0.000 0.530 19 T N 1.875 116.497 114.554 0.113 0.000 2.708 19 T HA -0.216 4.134 4.350 -0.001 0.000 0.266 19 T C 1.915 176.542 174.700 -0.122 0.000 1.037 19 T CA 1.721 63.833 62.100 0.020 0.000 1.146 19 T CB -0.738 68.176 68.868 0.076 0.000 0.865 19 T HN 0.087 nan 8.240 nan 0.000 0.435 20 L N 0.419 121.569 121.223 -0.121 0.000 2.012 20 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 20 L C 2.507 179.246 176.870 -0.218 0.000 1.073 20 L CA 1.300 56.050 54.840 -0.150 0.000 0.748 20 L CB -0.634 41.354 42.059 -0.118 0.000 0.891 20 L HN 0.238 nan 8.230 nan 0.000 0.431 21 L N -0.955 120.070 121.223 -0.329 0.000 2.046 21 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 21 L C 2.796 179.386 176.870 -0.468 0.000 1.077 21 L CA 1.233 55.747 54.840 -0.543 0.000 0.747 21 L CB -0.565 40.915 42.059 -0.965 0.000 0.896 21 L HN 0.202 nan 8.230 nan 0.000 0.432 22 R N 0.125 120.316 120.500 -0.515 0.000 2.120 22 R HA -0.109 4.231 4.340 -0.001 0.000 0.234 22 R C 1.878 178.060 176.300 -0.196 0.000 1.123 22 R CA 1.076 56.945 56.100 -0.385 0.000 0.975 22 R CB -0.312 29.757 30.300 -0.385 0.000 0.866 22 R HN 0.371 nan 8.270 nan 0.000 0.446 23 L N -0.131 120.989 121.223 -0.171 0.000 2.611 23 L HA 0.186 4.526 4.340 -0.001 0.000 0.229 23 L C 0.893 177.707 176.870 -0.094 0.000 1.137 23 L CA 0.182 54.953 54.840 -0.114 0.000 0.901 23 L CB 0.321 42.316 42.059 -0.107 0.000 1.098 23 L HN 0.408 nan 8.230 nan 0.000 0.456 24 G N 0.330 109.070 108.800 -0.100 0.000 2.147 24 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 24 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 24 G C 0.037 174.902 174.900 -0.058 0.000 1.005 24 G CA 0.066 45.132 45.100 -0.058 0.000 0.713 24 G HN 0.134 nan 8.290 nan 0.000 0.515 25 V N 1.401 121.263 119.914 -0.087 0.000 2.370 25 V HA 0.454 4.574 4.120 -0.001 0.000 0.283 25 V C -1.575 174.472 176.094 -0.079 0.000 1.023 25 V CA -1.756 60.502 62.300 -0.071 0.000 0.857 25 V CB 1.746 33.524 31.823 -0.075 0.000 0.985 25 V HN 0.106 nan 8.190 nan 0.000 0.443 26 P HA 0.266 nan 4.420 nan 0.000 0.272 26 P C -0.825 176.445 177.300 -0.049 0.000 1.223 26 P CA -0.034 63.040 63.100 -0.044 0.000 0.784 26 P CB 0.785 32.475 31.700 -0.017 0.000 0.923 27 V N 2.770 122.651 119.914 -0.056 0.000 2.735 27 V HA 0.466 4.586 4.120 -0.001 0.000 0.310 27 V C 0.060 176.113 176.094 -0.068 0.000 1.061 27 V CA -0.691 61.575 62.300 -0.056 0.000 0.913 27 V CB 2.116 33.895 31.823 -0.074 0.000 1.005 27 V HN 0.418 nan 8.190 nan 0.000 0.428 28 R N 3.428 123.883 120.500 -0.074 0.000 2.275 28 R HA 0.578 4.918 4.340 -0.001 0.000 0.326 28 R C -1.524 174.638 176.300 -0.230 0.000 0.973 28 R CA -0.650 55.337 56.100 -0.188 0.000 0.854 28 R CB 1.042 31.237 30.300 -0.175 0.000 1.156 28 R HN 0.578 nan 8.270 nan 0.000 0.487 29 L N 5.836 126.897 121.223 -0.269 0.000 2.262 29 L HA 0.453 4.793 4.340 -0.001 0.000 0.288 29 L C -1.535 175.179 176.870 -0.261 0.000 1.035 29 L CA -0.071 54.648 54.840 -0.202 0.000 0.820 29 L CB 0.637 42.553 42.059 -0.239 0.000 1.204 29 L HN 0.459 nan 8.230 nan 0.000 0.424 30 F N 4.007 123.924 119.950 -0.056 0.000 2.408 30 F HA 0.634 5.161 4.527 -0.000 0.000 0.344 30 F C 0.529 176.307 175.800 -0.036 0.000 1.112 30 F CA -0.191 57.794 58.000 -0.025 0.000 1.096 30 F CB 1.488 40.485 39.000 -0.005 0.000 1.129 30 F HN 0.536 nan 8.300 nan 0.000 0.486 34 P HA 0.039 nan 4.420 nan 0.000 0.257 34 P C 0.335 177.656 177.300 0.035 0.000 1.241 34 P CA 0.388 63.511 63.100 0.038 0.000 0.816 34 P CB 0.478 32.198 31.700 0.032 0.000 1.150 35 K N 0.078 120.499 120.400 0.036 0.000 2.283 35 K HA -0.003 4.316 4.320 -0.001 0.000 0.202 35 K C 1.413 178.032 176.600 0.032 0.000 1.048 35 K CA 0.624 56.931 56.287 0.032 0.000 0.948 35 K CB 0.182 32.702 32.500 0.033 0.000 0.742 35 K HN 0.242 nan 8.250 nan 0.000 0.458 39 P HA 0.247 nan 4.420 nan 0.000 0.228 39 P C 1.139 178.463 177.300 0.041 0.000 1.151 39 P CA 1.028 64.164 63.100 0.060 0.000 0.770 39 P CB -0.139 31.588 31.700 0.044 0.000 0.786 40 A N -2.385 120.468 122.820 0.054 0.000 2.229 40 A HA 0.114 4.434 4.320 -0.001 0.000 0.211 40 A C 0.467 178.004 177.584 -0.077 0.000 1.193 40 A CA 0.156 52.162 52.037 -0.051 0.000 0.879 40 A CB -0.566 18.351 19.000 -0.138 0.000 0.911 40 A HN 0.193 nan 8.150 nan 0.000 0.492 41 H N -2.056 117.024 119.070 0.017 0.000 2.488 41 H HA 0.526 5.081 4.556 -0.001 0.000 0.347 41 H C 1.179 176.522 175.328 0.026 0.000 1.174 41 H CA 0.861 56.927 56.048 0.030 0.000 1.307 41 H CB 1.488 31.279 29.762 0.048 0.000 1.517 41 H HN 0.131 nan 8.280 nan 0.000 0.554 42 G N 0.212 109.101 108.800 0.147 0.000 3.581 42 G HA2 0.106 4.066 3.960 -0.001 0.000 0.248 42 G HA3 0.106 4.066 3.960 -0.001 0.000 0.248 42 G C -0.011 174.937 174.900 0.080 0.000 1.037 42 G CA 0.445 45.598 45.100 0.089 0.000 0.902 42 G HN 0.734 nan 8.290 nan 0.000 0.512 43 T N -2.078 112.541 114.554 0.108 0.000 2.858 43 T HA 0.472 4.822 4.350 -0.001 0.000 0.285 43 T C 0.102 174.845 174.700 0.072 0.000 1.052 43 T CA 0.222 62.366 62.100 0.073 0.000 1.009 43 T CB 2.167 71.072 68.868 0.061 0.000 1.241 43 T HN -0.093 nan 8.240 nan 0.000 0.542 44 D N -1.011 119.408 120.400 0.031 0.000 2.340 44 D HA 0.105 4.745 4.640 -0.001 0.000 0.217 44 D C 0.375 176.660 176.300 -0.025 0.000 1.081 44 D CA -0.383 53.625 54.000 0.014 0.000 0.842 44 D CB 0.027 40.817 40.800 -0.016 0.000 0.934 44 D HN 0.239 nan 8.370 nan 0.000 0.511 45 R N 0.619 121.115 120.500 -0.007 0.000 2.490 45 R HA 0.253 4.593 4.340 -0.001 0.000 0.278 45 R C -0.063 176.302 176.300 0.109 0.000 1.069 45 R CA -0.552 55.506 56.100 -0.070 0.000 1.080 45 R CB 0.288 30.577 30.300 -0.019 0.000 1.030 45 R HN 0.021 nan 8.270 nan 0.000 0.491 46 F N 0.596 120.556 119.950 0.016 0.000 2.471 46 F HA 0.143 4.669 4.527 -0.001 0.000 0.353 46 F C 1.419 177.238 175.800 0.031 0.000 1.113 46 F CA -0.680 57.332 58.000 0.020 0.000 1.262 46 F CB -0.201 38.792 39.000 -0.012 0.000 1.146 46 F HN 0.760 nan 8.300 nan 0.000 0.578 47 A N 1.427 124.415 122.820 0.280 0.000 2.822 47 A HA -0.287 4.033 4.320 -0.001 0.000 0.287 47 A C 0.643 178.393 177.584 0.277 0.000 1.479 47 A CA 0.846 53.029 52.037 0.243 0.000 0.779 47 A CB -2.544 16.540 19.000 0.140 0.000 1.022 47 A HN 0.805 nan 8.150 nan 0.000 0.532 48 E N 0.140 120.495 120.200 0.258 0.000 2.465 48 E HA 0.219 4.569 4.350 -0.001 0.000 0.260 48 E C 0.069 176.726 176.600 0.095 0.000 0.980 48 E CA -0.262 56.257 56.400 0.197 0.000 0.927 48 E CB 0.232 30.084 29.700 0.253 0.000 0.934 48 E HN 0.438 nan 8.360 nan 0.000 0.459 49 I N 7.086 127.637 120.570 -0.032 0.000 2.301 49 I HA -0.032 4.138 4.170 -0.001 0.000 0.292 49 I C 1.250 177.278 176.117 -0.148 0.000 1.046 49 I CA -0.047 61.100 61.300 -0.255 0.000 1.282 49 I CB 0.956 38.661 38.000 -0.492 0.000 1.409 49 I HN 0.561 nan 8.210 nan 0.000 0.484 50 V N 3.685 123.545 119.914 -0.090 0.000 3.406 50 V HA 0.049 4.169 4.120 -0.001 0.000 0.263 50 V C 0.972 177.027 176.094 -0.065 0.000 1.172 50 V CA 0.618 62.832 62.300 -0.143 0.000 1.140 50 V CB 0.166 31.811 31.823 -0.296 0.000 0.784 50 V HN 0.822 nan 8.190 nan 0.000 0.467 51 C N -0.786 118.535 119.300 0.034 0.000 4.104 51 C HA 0.560 5.020 4.460 -0.001 0.000 0.150 51 C C 1.416 176.432 174.990 0.044 0.000 3.163 51 C CA 0.612 59.648 59.018 0.030 0.000 1.743 51 C CB 0.859 28.606 27.740 0.012 0.000 3.735 51 C HN 0.579 nan 8.230 nan 0.000 0.447 52 S N 2.186 117.924 115.700 0.064 0.000 2.563 52 S HA 0.045 4.515 4.470 -0.001 0.000 0.284 52 S C 0.793 175.419 174.600 0.043 0.000 1.331 52 S CA 0.627 58.845 58.200 0.031 0.000 1.047 52 S CB 0.220 63.414 63.200 -0.009 0.000 0.859 52 S HN 0.780 nan 8.310 nan 0.000 0.514 53 N N 2.426 121.095 118.700 -0.051 0.000 2.314 53 N HA 0.034 4.774 4.740 -0.001 0.000 0.200 53 N C -0.039 175.394 175.510 -0.129 0.000 1.135 53 N CA -0.162 52.800 53.050 -0.147 0.000 0.835 53 N CB -0.062 38.337 38.487 -0.147 0.000 0.989 53 N HN 0.286 nan 8.380 nan 0.000 0.478 54 S N 0.380 116.061 115.700 -0.032 0.000 2.499 54 S HA 0.379 4.849 4.470 -0.001 0.000 0.279 54 S C 0.801 175.423 174.600 0.037 0.000 1.219 54 S CA -0.718 57.465 58.200 -0.028 0.000 1.062 54 S CB 0.513 63.690 63.200 -0.038 0.000 0.978 54 S HN 0.285 nan 8.310 nan 0.000 0.489 55 L N 4.399 125.618 121.223 -0.008 0.000 2.607 55 L HA 0.406 4.746 4.340 -0.001 0.000 0.228 55 L C 1.114 177.987 176.870 0.004 0.000 1.123 55 L CA 0.165 55.023 54.840 0.032 0.000 0.890 55 L CB -0.618 41.432 42.059 -0.015 0.000 1.103 55 L HN 0.968 nan 8.230 nan 0.000 0.468 56 G N -0.625 108.164 108.800 -0.018 0.000 2.515 56 G HA2 0.013 3.973 3.960 -0.001 0.000 0.686 56 G HA3 0.013 3.973 3.960 -0.001 0.000 0.686 56 G C -0.124 174.769 174.900 -0.012 0.000 1.274 56 G CA -0.767 44.317 45.100 -0.027 0.000 0.874 56 G HN 0.182 nan 8.290 nan 0.000 0.631 57 G N -0.831 107.968 108.800 -0.002 0.000 2.432 57 G HA2 0.457 4.416 3.960 -0.001 0.000 0.239 57 G HA3 0.457 4.416 3.960 -0.001 0.000 0.239 57 G C 0.695 175.613 174.900 0.030 0.000 1.291 57 G CA 0.520 45.630 45.100 0.017 0.000 0.863 57 G HN 0.746 nan 8.290 nan 0.000 0.560 58 E N 1.413 121.631 120.200 0.030 0.000 2.400 58 E HA 0.053 4.403 4.350 -0.001 0.000 0.195 58 E C 1.841 178.470 176.600 0.048 0.000 1.012 58 E CA 0.048 56.474 56.400 0.043 0.000 0.875 58 E CB 0.311 30.027 29.700 0.026 0.000 0.859 58 E HN 0.575 nan 8.360 nan 0.000 0.498 59 G N 1.213 110.032 108.800 0.032 0.000 2.630 59 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.236 59 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.236 59 G C 0.292 175.168 174.900 -0.039 0.000 1.248 59 G CA -0.297 44.799 45.100 -0.007 0.000 0.844 59 G HN 0.112 nan 8.290 nan 0.000 0.588 60 E N -0.533 119.527 120.200 -0.234 0.000 2.472 60 E HA -0.099 4.251 4.350 -0.001 0.000 0.200 60 E C 2.175 178.757 176.600 -0.031 0.000 1.046 60 E CA 1.164 57.243 56.400 -0.536 0.000 0.871 60 E CB 0.104 29.382 29.700 -0.704 0.000 0.806 60 E HN 0.620 nan 8.360 nan 0.000 0.533 61 T N -1.858 112.752 114.554 0.094 0.000 3.086 61 T HA 0.100 4.450 4.350 -0.001 0.000 0.250 61 T C 0.523 175.551 174.700 0.548 0.000 1.074 61 T CA -0.409 61.827 62.100 0.227 0.000 0.988 61 T CB 0.142 69.077 68.868 0.111 0.000 0.988 61 T HN -0.144 nan 8.240 nan 0.000 0.530 62 N N 1.115 120.094 118.700 0.465 0.000 2.408 62 N HA 0.567 5.307 4.740 -0.001 0.000 0.280 62 N C 1.100 176.628 175.510 0.029 0.000 1.002 62 N CA 0.019 53.242 53.050 0.289 0.000 0.907 62 N CB 1.873 40.440 38.487 0.133 0.000 1.161 62 N HN 0.218 nan 8.380 nan 0.000 0.488 63 A N 3.275 125.720 122.820 -0.626 0.000 1.940 63 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 63 A C 1.882 179.195 177.584 -0.452 0.000 1.176 63 A CA 1.463 52.813 52.037 -1.144 0.000 0.631 63 A CB -0.186 18.092 19.000 -1.203 0.000 0.814 63 A HN 0.636 nan 8.150 nan 0.000 0.446 64 K N -0.881 119.381 120.400 -0.230 0.000 2.148 64 K HA -0.066 4.254 4.320 -0.001 0.000 0.204 64 K C 2.090 178.661 176.600 -0.047 0.000 1.050 64 K CA 0.855 57.074 56.287 -0.114 0.000 0.942 64 K CB -0.366 32.094 32.500 -0.067 0.000 0.724 64 K HN 0.484 nan 8.250 nan 0.000 0.446 65 G N 1.659 110.473 108.800 0.022 0.000 2.418 65 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 65 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 65 G C 1.416 176.443 174.900 0.211 0.000 1.158 65 G CA 0.477 45.662 45.100 0.143 0.000 0.771 65 G HN 0.164 nan 8.290 nan 0.000 0.545 66 L N 0.171 121.485 121.223 0.153 0.000 2.017 66 L HA 0.077 4.416 4.340 -0.001 0.000 0.208 66 L C 2.499 179.250 176.870 -0.198 0.000 1.073 66 L CA 1.559 56.334 54.840 -0.108 0.000 0.745 66 L CB -0.673 41.318 42.059 -0.113 0.000 0.894 66 L HN 0.176 nan 8.230 nan 0.000 0.432 67 L N -0.451 120.663 121.223 -0.182 0.000 2.083 67 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 67 L C 2.507 179.279 176.870 -0.163 0.000 1.083 67 L CA 1.744 56.460 54.840 -0.206 0.000 0.752 67 L CB -0.706 41.258 42.059 -0.159 0.000 0.899 67 L HN 0.455 nan 8.230 nan 0.000 0.433 68 Q N -0.811 118.941 119.800 -0.080 0.000 2.061 68 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 68 Q C 2.277 178.248 176.000 -0.049 0.000 0.984 68 Q CA 1.901 57.681 55.803 -0.038 0.000 0.846 68 Q CB -0.426 28.319 28.738 0.012 0.000 0.902 68 Q HN 0.683 nan 8.270 nan 0.000 0.421 69 A N 1.010 123.805 122.820 -0.043 0.000 1.902 69 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 69 A C 0.966 178.483 177.584 -0.112 0.000 1.181 69 A CA 0.781 52.796 52.037 -0.038 0.000 0.623 69 A CB -0.348 18.639 19.000 -0.021 0.000 0.818 69 A HN 0.318 nan 8.150 nan 0.000 0.443 73 R N 1.421 121.965 120.500 0.072 0.000 2.120 73 R HA 0.063 4.403 4.340 -0.001 0.000 0.234 73 R C 1.852 178.234 176.300 0.138 0.000 1.123 73 R CA 1.635 57.814 56.100 0.132 0.000 0.975 73 R CB -0.298 30.134 30.300 0.221 0.000 0.866 73 R HN 0.229 nan 8.270 nan 0.000 0.446 74 A N 0.026 122.916 122.820 0.118 0.000 2.167 74 A HA 0.175 4.495 4.320 -0.001 0.000 0.214 74 A C 1.350 178.935 177.584 0.002 0.000 1.151 74 A CA 1.009 53.041 52.037 -0.008 0.000 0.735 74 A CB -0.153 18.596 19.000 -0.418 0.000 0.802 74 A HN 0.436 nan 8.150 nan 0.000 0.467 75 G N -0.333 108.498 108.800 0.052 0.000 2.149 75 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.235 75 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.235 75 G C 0.321 175.334 174.900 0.189 0.000 1.018 75 G CA 0.653 45.831 45.100 0.131 0.000 0.728 75 G HN 1.359 nan 8.290 nan 0.000 0.508 76 S N -0.738 115.018 115.700 0.093 0.000 2.546 76 S HA 0.260 4.730 4.470 -0.001 0.000 0.290 76 S C 1.762 176.425 174.600 0.105 0.000 1.290 76 S CA 0.345 58.616 58.200 0.119 0.000 1.069 76 S CB 0.660 63.880 63.200 0.034 0.000 0.846 76 S HN 1.242 nan 8.310 nan 0.000 0.495 77 L N 7.593 128.844 121.223 0.046 0.000 2.056 77 L HA 0.115 4.454 4.340 -0.001 0.000 0.207 77 L C 1.161 177.960 176.870 -0.118 0.000 1.078 77 L CA 1.507 56.203 54.840 -0.239 0.000 0.749 77 L CB -0.609 40.999 42.059 -0.753 0.000 0.901 77 L HN 0.636 nan 8.230 nan 0.000 0.433 81 A N 1.779 124.463 122.820 -0.227 0.000 1.902 81 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 81 A C 2.289 179.856 177.584 -0.028 0.000 1.181 81 A CA 2.263 54.110 52.037 -0.316 0.000 0.623 81 A CB -0.585 18.186 19.000 -0.382 0.000 0.818 81 A HN 0.282 nan 8.150 nan 0.000 0.443 82 A N -0.152 122.770 122.820 0.169 0.000 1.898 82 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 82 A C 1.783 179.383 177.584 0.026 0.000 1.181 82 A CA 1.795 53.940 52.037 0.180 0.000 0.620 82 A CB -0.547 18.542 19.000 0.148 0.000 0.819 82 A HN 0.451 nan 8.150 nan 0.000 0.442 83 D N 0.008 120.395 120.400 -0.020 0.000 2.144 83 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 83 D C 1.842 178.096 176.300 -0.077 0.000 0.984 83 D CA 1.004 54.978 54.000 -0.043 0.000 0.834 83 D CB -0.212 40.564 40.800 -0.041 0.000 0.955 83 D HN 0.466 nan 8.370 nan 0.000 0.465 84 L N 0.004 121.138 121.223 -0.149 0.000 2.270 84 L HA 0.058 4.397 4.340 -0.001 0.000 0.210 84 L C 1.934 178.739 176.870 -0.108 0.000 1.104 84 L CA 0.588 55.323 54.840 -0.176 0.000 0.804 84 L CB -0.016 41.825 42.059 -0.363 0.000 0.937 84 L HN -0.079 nan 8.230 nan 0.000 0.450 85 A N -0.424 122.358 122.820 -0.064 0.000 2.423 85 A HA 0.086 4.406 4.320 -0.001 0.000 0.246 85 A C 0.970 178.546 177.584 -0.014 0.000 1.278 85 A CA -0.407 51.623 52.037 -0.012 0.000 0.903 85 A CB -0.213 18.827 19.000 0.066 0.000 0.997 85 A HN 0.198 nan 8.150 nan 0.000 0.510 86 R N 0.911 121.397 120.500 -0.025 0.000 2.537 86 R HA 0.211 4.550 4.340 -0.001 0.000 0.281 86 R C -0.388 175.895 176.300 -0.028 0.000 0.988 86 R CA 0.934 57.017 56.100 -0.028 0.000 1.077 86 R CB 0.187 30.473 30.300 -0.025 0.000 0.932 86 R HN 0.348 nan 8.270 nan 0.000 0.409 87 V N 2.117 122.010 119.914 -0.034 0.000 3.040 87 V HA 0.627 4.747 4.120 -0.001 0.000 0.312 87 V C -2.567 173.508 176.094 -0.031 0.000 1.115 87 V CA -2.682 59.599 62.300 -0.031 0.000 0.998 87 V CB 1.682 33.484 31.823 -0.035 0.000 1.042 87 V HN 0.707 nan 8.190 nan 0.000 0.433 88 P HA 0.541 nan 4.420 nan 0.000 0.268 88 P C -0.159 177.124 177.300 -0.027 0.000 1.204 88 P CA 0.296 63.382 63.100 -0.023 0.000 0.768 88 P CB 1.161 32.849 31.700 -0.019 0.000 0.842 89 A N 2.703 125.508 122.820 -0.026 0.000 3.019 89 A HA 0.511 4.831 4.320 -0.001 0.000 0.202 89 A C 0.941 178.511 177.584 -0.023 0.000 0.924 89 A CA 0.164 52.183 52.037 -0.029 0.000 1.156 89 A CB -0.845 18.133 19.000 -0.036 0.000 1.265 89 A HN 0.711 nan 8.150 nan 0.000 0.526 90 G N -0.654 108.135 108.800 -0.019 0.000 2.341 90 G HA2 0.141 4.101 3.960 -0.001 0.000 0.292 90 G HA3 0.141 4.101 3.960 -0.001 0.000 0.292 90 G C 1.617 176.511 174.900 -0.010 0.000 1.021 90 G CA 1.567 46.658 45.100 -0.014 0.000 0.905 90 G HN 2.445 nan 8.290 nan 0.000 0.508 91 G N -2.528 106.267 108.800 -0.009 0.000 2.253 91 G HA2 0.295 4.254 3.960 -0.001 0.000 0.209 91 G HA3 0.295 4.254 3.960 -0.001 0.000 0.209 91 G C 0.659 175.557 174.900 -0.003 0.000 0.997 91 G CA 1.022 46.120 45.100 -0.003 0.000 0.640 91 G HN 2.187 nan 8.290 nan 0.000 0.496 92 A N 0.161 122.974 122.820 -0.011 0.000 2.293 92 A HA 0.814 5.134 4.320 -0.001 0.000 0.302 92 A C -0.007 177.566 177.584 -0.018 0.000 1.119 92 A CA -0.339 51.690 52.037 -0.014 0.000 0.823 92 A CB 1.181 20.166 19.000 -0.025 0.000 1.097 92 A HN 1.390 nan 8.150 nan 0.000 0.491 93 L N 1.935 123.148 121.223 -0.017 0.000 2.325 93 L HA 0.598 4.937 4.340 -0.001 0.000 0.284 93 L C 0.253 177.093 176.870 -0.049 0.000 1.089 93 L CA 0.461 55.286 54.840 -0.025 0.000 0.836 93 L CB -0.009 42.042 42.059 -0.014 0.000 1.184 93 L HN 0.838 nan 8.230 nan 0.000 0.444 94 A N 4.845 127.629 122.820 -0.060 0.000 2.423 94 A HA 0.872 5.192 4.320 -0.001 0.000 0.304 94 A C -1.037 176.485 177.584 -0.102 0.000 1.104 94 A CA -0.111 51.872 52.037 -0.090 0.000 0.757 94 A CB 1.899 20.856 19.000 -0.072 0.000 1.313 94 A HN 1.087 nan 8.150 nan 0.000 0.423 95 V N -1.061 118.761 119.914 -0.153 0.000 2.914 95 V HA 0.598 4.717 4.120 -0.001 0.000 0.314 95 V C -0.515 175.515 176.094 -0.105 0.000 1.084 95 V CA -0.872 61.346 62.300 -0.136 0.000 0.963 95 V CB 1.909 33.587 31.823 -0.242 0.000 1.025 95 V HN 0.867 nan 8.190 nan 0.000 0.432 96 D N 2.413 122.785 120.400 -0.045 0.000 2.346 96 D HA 0.169 4.808 4.640 -0.001 0.000 0.260 96 D C 1.180 177.480 176.300 -0.000 0.000 1.252 96 D CA 0.148 54.133 54.000 -0.024 0.000 0.895 96 D CB 1.185 41.983 40.800 -0.003 0.000 1.097 96 D HN 0.634 nan 8.370 nan 0.000 0.489 97 R N 2.657 123.137 120.500 -0.033 0.000 2.081 97 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 97 R C 1.913 178.260 176.300 0.079 0.000 1.131 97 R CA 0.867 56.956 56.100 -0.019 0.000 0.960 97 R CB 0.007 30.269 30.300 -0.064 0.000 0.856 97 R HN 0.528 nan 8.270 nan 0.000 0.436 98 E N 1.381 121.608 120.200 0.046 0.000 2.107 98 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 98 E C 1.517 178.153 176.600 0.060 0.000 0.982 98 E CA 1.314 57.742 56.400 0.046 0.000 0.809 98 E CB 0.193 29.905 29.700 0.020 0.000 0.756 98 E HN 0.391 nan 8.360 nan 0.000 0.459 99 E N -0.437 119.802 120.200 0.065 0.000 2.106 99 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 99 E C 1.918 178.580 176.600 0.104 0.000 0.984 99 E CA 0.855 57.294 56.400 0.065 0.000 0.806 99 E CB -0.260 29.464 29.700 0.041 0.000 0.750 99 E HN 0.231 nan 8.360 nan 0.000 0.458 100 F N 1.671 121.604 119.950 -0.028 0.000 2.051 100 F HA -0.262 4.265 4.527 -0.001 0.000 0.296 100 F C 2.607 178.417 175.800 0.016 0.000 1.122 100 F CA 1.940 59.924 58.000 -0.027 0.000 1.201 100 F CB -0.352 38.606 39.000 -0.071 0.000 0.978 100 F HN -0.018 nan 8.300 nan 0.000 0.472 101 S N -0.096 115.664 115.700 0.101 0.000 2.406 101 S HA -0.007 4.462 4.470 -0.001 0.000 0.228 101 S C 2.295 176.854 174.600 -0.068 0.000 1.020 101 S CA 0.764 58.952 58.200 -0.021 0.000 0.965 101 S CB -1.413 61.850 63.200 0.105 0.000 0.798 101 S HN 0.491 nan 8.310 nan 0.000 0.488 102 G N 0.390 109.177 108.800 -0.023 0.000 2.421 102 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 102 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 102 G C 1.279 176.148 174.900 -0.053 0.000 1.171 102 G CA 0.903 45.978 45.100 -0.042 0.000 0.775 102 G HN 0.591 nan 8.290 nan 0.000 0.543 103 Y N 1.206 121.413 120.300 -0.155 0.000 2.145 103 Y HA -0.071 4.479 4.550 -0.001 0.000 0.286 103 Y C 2.611 178.372 175.900 -0.233 0.000 1.145 103 Y CA 1.478 59.472 58.100 -0.176 0.000 1.148 103 Y CB -0.154 38.199 38.460 -0.180 0.000 0.981 103 Y HN 0.176 nan 8.280 nan 0.000 0.507 104 I N -0.662 119.791 120.570 -0.195 0.000 2.226 104 I HA -0.348 3.822 4.170 -0.001 0.000 0.245 104 I C 2.213 178.222 176.117 -0.179 0.000 1.100 104 I CA 1.896 63.029 61.300 -0.278 0.000 1.374 104 I CB -0.685 37.140 38.000 -0.291 0.000 1.057 104 I HN 0.229 nan 8.210 nan 0.000 0.413 105 T N 0.108 114.572 114.554 -0.150 0.000 2.746 105 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 105 T C 1.741 176.331 174.700 -0.185 0.000 1.039 105 T CA 1.354 63.325 62.100 -0.216 0.000 1.142 105 T CB -0.245 68.377 68.868 -0.410 0.000 0.866 105 T HN 0.419 nan 8.240 nan 0.000 0.444 106 E N 0.606 120.682 120.200 -0.208 0.000 2.051 106 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 106 E C 2.671 179.167 176.600 -0.174 0.000 0.991 106 E CA 0.670 56.961 56.400 -0.181 0.000 0.799 106 E CB -0.026 29.561 29.700 -0.189 0.000 0.748 106 E HN 0.166 nan 8.360 nan 0.000 0.449 107 R N 0.636 120.940 120.500 -0.326 0.000 2.081 107 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 107 R C 2.446 178.767 176.300 0.036 0.000 1.131 107 R CA 0.851 56.777 56.100 -0.290 0.000 0.960 107 R CB -0.836 29.017 30.300 -0.745 0.000 0.856 107 R HN 0.246 nan 8.270 nan 0.000 0.436 108 L N 0.008 121.259 121.223 0.047 0.000 2.005 108 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 108 L C 2.334 179.364 176.870 0.267 0.000 1.072 108 L CA 1.621 56.622 54.840 0.268 0.000 0.744 108 L CB -0.706 41.532 42.059 0.298 0.000 0.895 108 L HN 0.163 nan 8.230 nan 0.000 0.433 109 T N -0.588 114.089 114.554 0.206 0.000 2.803 109 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 109 T C 1.607 176.374 174.700 0.113 0.000 1.052 109 T CA 1.317 63.511 62.100 0.156 0.000 1.136 109 T CB -0.451 68.442 68.868 0.042 0.000 0.864 109 T HN 0.562 nan 8.240 nan 0.000 0.467 110 G N 0.177 109.034 108.800 0.095 0.000 2.813 110 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.209 110 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.209 110 G C 0.451 175.409 174.900 0.098 0.000 1.150 110 G CA -0.199 44.943 45.100 0.069 0.000 0.785 110 G HN 0.461 nan 8.290 nan 0.000 0.535 111 H N 1.654 120.783 119.070 0.097 0.000 2.722 111 H HA 0.134 4.689 4.556 -0.000 0.000 0.328 111 H C -1.152 174.198 175.328 0.037 0.000 1.067 111 H CA -1.493 54.605 56.048 0.083 0.000 1.447 111 H CB 2.110 31.943 29.762 0.119 0.000 1.469 111 H HN 0.022 nan 8.280 nan 0.000 0.544 112 P HA -0.086 nan 4.420 nan 0.000 0.225 112 P C 1.051 178.434 177.300 0.138 0.000 1.148 112 P CA 0.822 63.936 63.100 0.023 0.000 0.779 112 P CB 0.457 32.111 31.700 -0.078 0.000 0.780 113 L N -1.455 119.985 121.223 0.362 0.000 2.667 113 L HA 0.218 4.558 4.340 -0.001 0.000 0.232 113 L C 0.771 177.687 176.870 0.076 0.000 1.138 113 L CA -0.414 54.534 54.840 0.180 0.000 0.921 113 L CB 0.057 42.201 42.059 0.142 0.000 1.180 113 L HN -0.037 nan 8.230 nan 0.000 0.487 114 L N 0.875 122.164 121.223 0.109 0.000 2.272 114 L HA 0.352 4.692 4.340 -0.001 0.000 0.289 114 L C -0.061 176.827 176.870 0.029 0.000 1.032 114 L CA 0.049 54.913 54.840 0.040 0.000 0.810 114 L CB 1.301 43.406 42.059 0.076 0.000 1.205 114 L HN 0.004 nan 8.230 nan 0.000 0.422 115 E N 4.225 124.411 120.200 -0.023 0.000 2.151 115 E HA 0.460 4.810 4.350 -0.001 0.000 0.275 115 E C -1.561 174.984 176.600 -0.091 0.000 0.936 115 E CA -0.761 55.611 56.400 -0.047 0.000 0.777 115 E CB 1.590 31.245 29.700 -0.075 0.000 1.108 115 E HN 0.514 nan 8.360 nan 0.000 0.401 116 V N 4.798 124.685 119.914 -0.046 0.000 2.427 116 V HA 0.269 4.388 4.120 -0.001 0.000 0.286 116 V C -0.258 175.777 176.094 -0.099 0.000 1.034 116 V CA -0.705 61.568 62.300 -0.046 0.000 0.893 116 V CB 1.548 33.447 31.823 0.127 0.000 0.982 116 V HN 0.489 nan 8.190 nan 0.000 0.452 117 V N 6.093 125.884 119.914 -0.204 0.000 2.350 117 V HA 0.454 4.573 4.120 -0.001 0.000 0.285 117 V C 0.168 176.256 176.094 -0.010 0.000 1.014 117 V CA -0.848 61.348 62.300 -0.174 0.000 0.831 117 V CB 1.625 33.177 31.823 -0.451 0.000 1.000 117 V HN 0.728 nan 8.190 nan 0.000 0.433 118 R N 5.025 125.553 120.500 0.048 0.000 2.608 118 R HA 0.390 4.730 4.340 -0.001 0.000 0.277 118 R C 0.062 176.425 176.300 0.106 0.000 1.341 118 R CA -0.026 56.127 56.100 0.088 0.000 1.199 118 R CB 0.193 30.537 30.300 0.073 0.000 1.156 118 R HN 1.009 nan 8.270 nan 0.000 0.558 119 E N -0.363 119.931 120.200 0.157 0.000 2.407 119 E HA 0.198 4.548 4.350 -0.001 0.000 0.279 119 E C -1.386 175.301 176.600 0.145 0.000 1.012 119 E CA -0.918 55.572 56.400 0.151 0.000 0.800 119 E CB 1.438 31.248 29.700 0.184 0.000 1.276 119 E HN 0.182 nan 8.360 nan 0.000 0.452 120 E N 1.874 122.123 120.200 0.082 0.000 2.259 120 E HA 0.239 4.588 4.350 -0.001 0.000 0.281 120 E C -0.850 175.747 176.600 -0.005 0.000 1.037 120 E CA -0.646 55.779 56.400 0.043 0.000 0.854 120 E CB 1.298 31.015 29.700 0.029 0.000 1.051 120 E HN 0.372 nan 8.360 nan 0.000 0.409 121 V N 6.480 126.351 119.914 -0.071 0.000 2.432 121 V HA 0.156 4.275 4.120 -0.001 0.000 0.271 121 V C 1.083 177.116 176.094 -0.102 0.000 1.046 121 V CA 0.080 62.269 62.300 -0.185 0.000 0.945 121 V CB 0.985 32.591 31.823 -0.361 0.000 0.992 121 V HN 0.759 nan 8.190 nan 0.000 0.471 122 R N 2.195 122.643 120.500 -0.087 0.000 2.335 122 R HA 0.288 4.628 4.340 -0.001 0.000 0.210 122 R C -0.027 176.242 176.300 -0.052 0.000 0.892 122 R CA -0.009 56.063 56.100 -0.048 0.000 1.048 122 R CB 0.764 31.046 30.300 -0.029 0.000 1.067 122 R HN 0.615 nan 8.270 nan 0.000 0.524 123 E N 0.700 120.852 120.200 -0.079 0.000 2.367 123 E HA 0.278 4.628 4.350 -0.001 0.000 0.273 123 E C -0.640 175.902 176.600 -0.097 0.000 0.903 123 E CA -0.829 55.525 56.400 -0.075 0.000 0.764 123 E CB 2.334 31.992 29.700 -0.070 0.000 1.252 123 E HN -0.013 nan 8.360 nan 0.000 0.446 124 I N 3.160 123.678 120.570 -0.087 0.000 2.664 124 I HA 0.027 4.197 4.170 -0.001 0.000 0.284 124 I C -1.917 174.141 176.117 -0.097 0.000 1.154 124 I CA -1.185 60.061 61.300 -0.091 0.000 1.402 124 I CB -0.246 37.697 38.000 -0.096 0.000 1.395 124 I HN 0.041 nan 8.210 nan 0.000 0.545 125 P HA 0.123 nan 4.420 nan 0.000 0.269 125 P C -2.308 174.966 177.300 -0.044 0.000 1.209 125 P CA -0.764 62.286 63.100 -0.084 0.000 0.776 125 P CB -0.136 31.509 31.700 -0.092 0.000 0.876 126 P HA 0.318 nan 4.420 nan 0.000 0.276 126 P C 0.169 177.476 177.300 0.012 0.000 1.261 126 P CA 0.218 63.309 63.100 -0.014 0.000 0.800 126 P CB 0.515 32.209 31.700 -0.012 0.000 1.066 127 G N 0.214 109.022 108.800 0.014 0.000 2.782 127 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.228 127 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.228 127 G C -0.359 174.575 174.900 0.056 0.000 1.372 127 G CA -0.500 44.620 45.100 0.034 0.000 0.862 127 G HN 0.592 nan 8.290 nan 0.000 0.547 128 I N 1.194 121.812 120.570 0.080 0.000 2.668 128 I HA 0.338 4.508 4.170 -0.001 0.000 0.285 128 I C 0.672 176.877 176.117 0.148 0.000 1.168 128 I CA 0.868 62.250 61.300 0.137 0.000 1.424 128 I CB 0.310 38.391 38.000 0.135 0.000 1.377 128 I HN 0.529 nan 8.210 nan 0.000 0.560 129 T N 5.314 119.993 114.554 0.208 0.000 3.105 129 T HA 0.363 4.713 4.350 -0.001 0.000 0.321 129 T C -0.611 174.255 174.700 0.277 0.000 1.135 129 T CA -0.477 61.732 62.100 0.181 0.000 1.053 129 T CB 1.965 70.893 68.868 0.101 0.000 1.133 129 T HN 0.136 nan 8.240 nan 0.000 0.463 130 V N 4.410 124.454 119.914 0.217 0.000 2.398 130 V HA 0.491 4.611 4.120 -0.001 0.000 0.286 130 V C -0.255 175.945 176.094 0.177 0.000 1.026 130 V CA -0.813 61.624 62.300 0.229 0.000 0.868 130 V CB 1.304 33.206 31.823 0.131 0.000 0.982 130 V HN 0.699 nan 8.190 nan 0.000 0.443 131 L N 4.479 125.822 121.223 0.201 0.000 2.264 131 L HA 0.749 5.089 4.340 -0.001 0.000 0.289 131 L C 0.461 177.423 176.870 0.154 0.000 1.044 131 L CA -0.255 54.682 54.840 0.160 0.000 0.807 131 L CB 1.425 43.592 42.059 0.180 0.000 1.192 131 L HN 0.759 nan 8.230 nan 0.000 0.425 132 A N 1.013 123.908 122.820 0.125 0.000 3.292 132 A HA 0.286 4.605 4.320 -0.001 0.000 0.231 132 A C 0.696 178.348 177.584 0.113 0.000 0.952 132 A CA -0.249 51.861 52.037 0.122 0.000 1.044 132 A CB -0.081 18.986 19.000 0.112 0.000 1.236 132 A HN 0.726 nan 8.150 nan 0.000 0.525 133 T N -2.835 111.787 114.554 0.114 0.000 3.107 133 T HA 0.476 4.826 4.350 -0.001 0.000 0.249 133 T C 1.198 175.971 174.700 0.121 0.000 1.096 133 T CA 0.794 62.955 62.100 0.103 0.000 1.012 133 T CB -0.046 68.875 68.868 0.088 0.000 0.977 133 T HN 2.109 nan 8.240 nan 0.000 0.527 134 G N 2.659 111.543 108.800 0.140 0.000 2.725 134 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.220 134 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.220 134 G C -1.994 173.005 174.900 0.165 0.000 1.357 134 G CA -0.348 44.847 45.100 0.158 0.000 0.866 134 G HN 0.159 nan 8.290 nan 0.000 0.548 135 P HA 0.013 nan 4.420 nan 0.000 0.222 135 P C 1.243 178.651 177.300 0.180 0.000 1.147 135 P CA 1.245 64.452 63.100 0.178 0.000 0.790 135 P CB 0.052 31.834 31.700 0.137 0.000 0.780 136 L N -0.465 120.857 121.223 0.164 0.000 3.094 136 L HA 0.232 4.572 4.340 -0.001 0.000 0.254 136 L C 0.274 177.225 176.870 0.135 0.000 1.298 136 L CA -0.402 54.529 54.840 0.152 0.000 1.050 136 L CB -0.455 41.692 42.059 0.146 0.000 1.420 136 L HN -0.245 nan 8.230 nan 0.000 0.548 137 T N 1.215 115.853 114.554 0.141 0.000 2.867 137 T HA -0.062 4.288 4.350 -0.001 0.000 0.290 137 T C 0.917 175.686 174.700 0.115 0.000 1.025 137 T CA 0.370 62.542 62.100 0.120 0.000 1.146 137 T CB 0.318 69.261 68.868 0.125 0.000 1.024 137 T HN 0.569 nan 8.240 nan 0.000 0.519 138 S N 2.597 118.348 115.700 0.085 0.000 2.568 138 S HA 0.029 4.499 4.470 -0.001 0.000 0.282 138 S C 1.349 176.002 174.600 0.088 0.000 1.338 138 S CA -0.500 57.744 58.200 0.073 0.000 1.045 138 S CB 0.724 63.953 63.200 0.048 0.000 0.873 138 S HN 0.854 nan 8.310 nan 0.000 0.516 139 E N 2.448 122.696 120.200 0.079 0.000 2.085 139 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 139 E C 2.126 178.771 176.600 0.075 0.000 0.994 139 E CA 1.383 57.835 56.400 0.086 0.000 0.801 139 E CB -0.629 29.096 29.700 0.041 0.000 0.743 139 E HN 0.891 nan 8.360 nan 0.000 0.453 140 A N 0.890 123.738 122.820 0.046 0.000 1.902 140 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 140 A C 2.137 179.740 177.584 0.031 0.000 1.181 140 A CA 1.383 53.437 52.037 0.030 0.000 0.623 140 A CB -0.635 18.372 19.000 0.013 0.000 0.818 140 A HN 0.389 nan 8.150 nan 0.000 0.443 141 L N -0.502 120.743 121.223 0.036 0.000 2.109 141 L HA 0.046 4.385 4.340 -0.001 0.000 0.207 141 L C 2.682 179.588 176.870 0.060 0.000 1.086 141 L CA 1.860 56.720 54.840 0.032 0.000 0.760 141 L CB -0.692 41.384 42.059 0.027 0.000 0.910 141 L HN 0.342 nan 8.230 nan 0.000 0.437 142 A N -0.805 122.069 122.820 0.090 0.000 1.908 142 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 142 A C 2.152 179.794 177.584 0.097 0.000 1.181 142 A CA 1.708 53.808 52.037 0.105 0.000 0.627 142 A CB -0.540 18.578 19.000 0.195 0.000 0.818 142 A HN 0.495 nan 8.150 nan 0.000 0.445 143 E N -0.085 120.173 120.200 0.095 0.000 2.077 143 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 143 E C 2.353 178.973 176.600 0.033 0.000 0.989 143 E CA 1.241 57.681 56.400 0.067 0.000 0.800 143 E CB -0.608 29.121 29.700 0.048 0.000 0.746 143 E HN 0.587 nan 8.360 nan 0.000 0.452 144 A N 1.082 123.915 122.820 0.022 0.000 1.902 144 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 144 A C 2.391 179.976 177.584 0.002 0.000 1.181 144 A CA 1.050 53.083 52.037 -0.007 0.000 0.623 144 A CB -0.667 18.321 19.000 -0.020 0.000 0.818 144 A HN 0.174 nan 8.150 nan 0.000 0.443 145 L N -0.726 120.536 121.223 0.066 0.000 2.056 145 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 145 L C 2.583 179.558 176.870 0.174 0.000 1.078 145 L CA 1.591 56.535 54.840 0.173 0.000 0.749 145 L CB -0.374 41.804 42.059 0.198 0.000 0.901 145 L HN 0.344 nan 8.230 nan 0.000 0.433 146 K N -0.287 120.169 120.400 0.093 0.000 2.057 146 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 146 K C 2.262 178.881 176.600 0.031 0.000 1.049 146 K CA 1.170 57.497 56.287 0.067 0.000 0.931 146 K CB -0.145 32.371 32.500 0.027 0.000 0.714 146 K HN 0.258 nan 8.250 nan 0.000 0.440 147 R N 0.483 120.977 120.500 -0.009 0.000 2.081 147 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 147 R C 2.437 178.669 176.300 -0.114 0.000 1.131 147 R CA 1.465 57.534 56.100 -0.051 0.000 0.960 147 R CB -0.168 30.096 30.300 -0.060 0.000 0.856 147 R HN 0.034 nan 8.270 nan 0.000 0.436 148 R N -0.172 120.200 120.500 -0.213 0.000 2.093 148 R HA -0.032 4.307 4.340 -0.001 0.000 0.224 148 R C 1.184 177.122 176.300 -0.603 0.000 1.101 148 R CA 1.503 57.294 56.100 -0.515 0.000 0.979 148 R CB 0.021 29.833 30.300 -0.815 0.000 0.877 148 R HN 0.108 nan 8.270 nan 0.000 0.441 149 F N -1.185 118.791 119.950 0.043 0.000 2.724 149 F HA 0.500 5.027 4.527 -0.000 0.000 0.306 149 F C 0.425 176.376 175.800 0.251 0.000 1.100 149 F CA 0.406 58.474 58.000 0.113 0.000 1.255 149 F CB 1.256 40.335 39.000 0.131 0.000 1.072 149 F HN 0.188 nan 8.300 nan 0.000 0.589 150 G N 0.740 109.720 108.800 0.299 0.000 3.014 150 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.683 150 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.683 150 G C -0.351 174.592 174.900 0.072 0.000 1.271 150 G CA -0.723 44.514 45.100 0.229 0.000 0.843 150 G HN -0.055 nan 8.290 nan 0.000 0.612 151 D N 0.462 120.811 120.400 -0.086 0.000 2.149 151 D HA -0.077 4.563 4.640 -0.001 0.000 0.198 151 D C 1.856 177.961 176.300 -0.324 0.000 0.990 151 D CA 1.631 55.506 54.000 -0.208 0.000 0.839 151 D CB -0.022 40.587 40.800 -0.319 0.000 0.948 151 D HN 0.740 nan 8.370 nan 0.000 0.460 152 H N -1.776 117.090 119.070 -0.341 0.000 2.556 152 H HA 0.090 4.645 4.556 -0.001 0.000 0.268 152 H C 0.617 175.626 175.328 -0.532 0.000 0.996 152 H CA 0.260 56.018 56.048 -0.483 0.000 1.157 152 H CB 0.047 29.431 29.762 -0.630 0.000 1.355 152 H HN 0.081 nan 8.280 nan 0.000 0.597 153 F N 0.071 120.042 119.950 0.035 0.000 2.639 153 F HA 0.265 4.791 4.527 -0.000 0.000 0.302 153 F C 0.083 175.823 175.800 -0.101 0.000 1.097 153 F CA -0.278 57.713 58.000 -0.014 0.000 1.294 153 F CB 0.467 39.485 39.000 0.029 0.000 1.027 153 F HN -0.001 nan 8.300 nan 0.000 0.550 154 L N 0.498 121.682 121.223 -0.066 0.000 2.385 154 L HA 0.880 5.220 4.340 -0.001 0.000 0.273 154 L C -0.724 175.876 176.870 -0.450 0.000 0.990 154 L CA -0.627 54.063 54.840 -0.250 0.000 0.821 154 L CB 1.443 43.370 42.059 -0.219 0.000 1.279 154 L HN -0.051 nan 8.230 nan 0.000 0.412 155 A N 3.236 125.675 122.820 -0.635 0.000 2.330 155 A HA 0.575 4.895 4.320 -0.001 0.000 0.329 155 A C -0.985 176.270 177.584 -0.548 0.000 1.135 155 A CA -0.334 51.331 52.037 -0.621 0.000 0.817 155 A CB 0.851 19.410 19.000 -0.735 0.000 1.269 155 A HN 0.809 nan 8.150 nan 0.000 0.469 156 Y N -0.554 119.680 120.300 -0.111 0.000 2.442 156 Y HA 0.236 4.786 4.550 -0.001 0.000 0.250 156 Y C -0.033 176.004 175.900 0.229 0.000 1.113 156 Y CA 0.243 58.383 58.100 0.068 0.000 1.273 156 Y CB 0.210 38.719 38.460 0.081 0.000 1.138 156 Y HN 0.684 nan 8.280 nan 0.000 0.522 157 Y N -2.585 117.911 120.300 0.328 0.000 2.625 157 Y HA 0.503 5.053 4.550 -0.001 0.000 0.338 157 Y C -0.017 176.136 175.900 0.422 0.000 1.123 157 Y CA -1.839 56.486 58.100 0.375 0.000 1.046 157 Y CB 0.767 39.454 38.460 0.379 0.000 1.299 157 Y HN -0.085 nan 8.280 nan 0.000 0.464 158 D N 1.294 121.997 120.400 0.506 0.000 2.414 158 D HA 0.226 4.866 4.640 -0.001 0.000 0.237 158 D C 0.988 177.435 176.300 0.244 0.000 0.975 158 D CA 0.812 54.962 54.000 0.250 0.000 0.917 158 D CB -0.728 40.029 40.800 -0.071 0.000 1.061 158 D HN 1.360 nan 8.370 nan 0.000 0.480 159 A N -0.007 122.956 122.820 0.238 0.000 2.610 159 A HA 0.099 4.418 4.320 -0.001 0.000 0.299 159 A C 0.663 178.299 177.584 0.085 0.000 1.487 159 A CA 0.521 52.662 52.037 0.174 0.000 0.743 159 A CB -2.205 17.014 19.000 0.364 0.000 1.070 159 A HN 0.990 nan 8.150 nan 0.000 0.439 160 A N 0.542 123.368 122.820 0.011 0.000 2.354 160 A HA 0.690 5.009 4.320 -0.001 0.000 0.269 160 A C 0.814 178.410 177.584 0.019 0.000 1.109 160 A CA 0.587 52.615 52.037 -0.015 0.000 0.800 160 A CB 0.348 19.300 19.000 -0.080 0.000 1.045 160 A HN 1.310 nan 8.150 nan 0.000 0.489 161 S N 2.163 117.883 115.700 0.033 0.000 2.672 161 S HA 0.571 5.041 4.470 -0.001 0.000 0.276 161 S C -2.473 172.125 174.600 -0.003 0.000 1.207 161 S CA -0.902 57.343 58.200 0.075 0.000 1.002 161 S CB 0.712 63.993 63.200 0.136 0.000 0.998 161 S HN 0.607 nan 8.310 nan 0.000 0.542 162 P HA 0.297 nan 4.420 nan 0.000 0.271 162 P C -0.976 176.247 177.300 -0.128 0.000 1.218 162 P CA -0.011 63.013 63.100 -0.127 0.000 0.780 162 P CB 0.290 31.919 31.700 -0.118 0.000 0.901 163 I N 1.839 122.288 120.570 -0.202 0.000 2.465 163 I HA 0.384 4.554 4.170 -0.001 0.000 0.291 163 I C 0.182 176.211 176.117 -0.147 0.000 1.014 163 I CA -1.139 60.080 61.300 -0.134 0.000 1.093 163 I CB 1.929 39.834 38.000 -0.158 0.000 1.267 163 I HN 0.108 nan 8.210 nan 0.000 0.431 164 V N 3.945 123.831 119.914 -0.047 0.000 2.881 164 V HA 0.566 4.686 4.120 -0.001 0.000 0.316 164 V C -0.538 175.581 176.094 0.042 0.000 1.070 164 V CA -1.035 61.238 62.300 -0.046 0.000 0.976 164 V CB 2.022 33.809 31.823 -0.061 0.000 1.038 164 V HN 0.571 nan 8.190 nan 0.000 0.446 165 L N 2.814 124.049 121.223 0.020 0.000 2.360 165 L HA 0.295 4.635 4.340 -0.001 0.000 0.276 165 L C 0.879 177.788 176.870 0.066 0.000 1.121 165 L CA 0.177 55.062 54.840 0.076 0.000 0.845 165 L CB 0.356 42.444 42.059 0.047 0.000 1.143 165 L HN 0.824 nan 8.230 nan 0.000 0.452 166 Y N 3.035 123.342 120.300 0.013 0.000 2.151 166 Y HA -0.315 4.235 4.550 -0.001 0.000 0.284 166 Y C 2.042 177.858 175.900 -0.141 0.000 1.166 166 Y CA 2.263 60.277 58.100 -0.144 0.000 1.163 166 Y CB 0.056 38.444 38.460 -0.120 0.000 0.974 166 Y HN 0.850 nan 8.280 nan 0.000 0.511 167 E N -0.731 119.472 120.200 0.005 0.000 2.333 167 E HA -0.160 4.190 4.350 -0.001 0.000 0.198 167 E C 1.733 178.248 176.600 -0.143 0.000 1.007 167 E CA 1.196 57.555 56.400 -0.069 0.000 0.845 167 E CB -0.479 29.238 29.700 0.029 0.000 0.766 167 E HN 0.477 nan 8.360 nan 0.000 0.507 168 S N 0.327 115.943 115.700 -0.139 0.000 2.593 168 S HA 0.146 4.616 4.470 -0.001 0.000 0.217 168 S C 0.801 175.293 174.600 -0.181 0.000 0.966 168 S CA -0.528 57.597 58.200 -0.126 0.000 0.914 168 S CB -0.393 62.760 63.200 -0.078 0.000 0.776 168 S HN 0.200 nan 8.310 nan 0.000 0.523 169 I N 2.729 123.122 120.570 -0.295 0.000 2.474 169 I HA 0.217 4.387 4.170 -0.001 0.000 0.287 169 I C -0.065 175.877 176.117 -0.292 0.000 1.048 169 I CA -0.506 60.598 61.300 -0.326 0.000 1.383 169 I CB 0.702 38.405 38.000 -0.495 0.000 1.412 169 I HN 0.057 nan 8.210 nan 0.000 0.531 170 D N 6.900 127.175 120.400 -0.209 0.000 2.422 170 D HA 0.141 4.781 4.640 -0.001 0.000 0.227 170 D C 0.831 177.029 176.300 -0.169 0.000 1.190 170 D CA -0.025 53.877 54.000 -0.163 0.000 0.905 170 D CB 0.694 41.428 40.800 -0.111 0.000 1.034 170 D HN 0.427 nan 8.370 nan 0.000 0.507 171 L N 2.617 123.726 121.223 -0.189 0.000 2.456 171 L HA -0.092 4.248 4.340 -0.001 0.000 0.224 171 L C 2.341 179.159 176.870 -0.087 0.000 1.148 171 L CA 1.172 55.911 54.840 -0.168 0.000 0.825 171 L CB -0.544 41.410 42.059 -0.174 0.000 0.937 171 L HN 0.471 nan 8.230 nan 0.000 0.450 172 T N -3.689 110.823 114.554 -0.070 0.000 3.113 172 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 172 T C 1.415 176.103 174.700 -0.020 0.000 1.143 172 T CA 0.695 62.774 62.100 -0.036 0.000 1.090 172 T CB -0.099 68.749 68.868 -0.034 0.000 0.922 172 T HN 0.306 nan 8.240 nan 0.000 0.521 173 K N -0.015 120.363 120.400 -0.036 0.000 2.414 173 K HA 0.355 4.675 4.320 -0.001 0.000 0.204 173 K C -0.456 176.141 176.600 -0.005 0.000 1.026 173 K CA -0.437 55.839 56.287 -0.017 0.000 1.108 173 K CB 0.465 32.941 32.500 -0.040 0.000 0.855 173 K HN 0.378 nan 8.250 nan 0.000 0.517 174 C N 0.129 119.425 119.300 -0.007 0.000 3.044 174 C HA 0.702 5.161 4.460 -0.001 0.000 0.315 174 C C -0.875 174.181 174.990 0.111 0.000 1.320 174 C CA -1.261 57.743 59.018 -0.023 0.000 1.582 174 C CB 0.676 28.334 27.740 -0.138 0.000 2.039 174 C HN 0.382 nan 8.230 nan 0.000 0.466 175 F N -1.116 118.818 119.950 -0.027 0.000 2.578 175 F HA 0.727 5.254 4.527 -0.001 0.000 0.311 175 F C -0.364 175.449 175.800 0.021 0.000 1.094 175 F CA -1.064 56.931 58.000 -0.007 0.000 0.923 175 F CB 0.888 39.885 39.000 -0.005 0.000 1.230 175 F HN 0.264 nan 8.300 nan 0.000 0.450 176 R N 2.578 123.166 120.500 0.146 0.000 2.267 176 R HA 0.792 5.132 4.340 -0.001 0.000 0.319 176 R C -0.729 175.688 176.300 0.196 0.000 1.067 176 R CA -0.335 55.832 56.100 0.111 0.000 0.936 176 R CB 0.868 31.237 30.300 0.116 0.000 1.006 176 R HN 1.050 nan 8.270 nan 0.000 0.452 177 A N 1.524 124.443 122.820 0.166 0.000 2.594 177 A HA 0.590 4.910 4.320 -0.001 0.000 0.296 177 A C -0.573 177.131 177.584 0.200 0.000 1.056 177 A CA -0.424 51.737 52.037 0.207 0.000 0.693 177 A CB 1.580 20.775 19.000 0.325 0.000 1.278 177 A HN 0.660 nan 8.150 nan 0.000 0.408 178 G N 0.385 109.302 108.800 0.195 0.000 2.437 178 G HA2 0.576 4.536 3.960 -0.001 0.000 0.319 178 G HA3 0.576 4.536 3.960 -0.001 0.000 0.319 178 G C -0.242 174.719 174.900 0.102 0.000 1.158 178 G CA -0.873 44.350 45.100 0.203 0.000 0.899 178 G HN 0.856 nan 8.290 nan 0.000 0.502 179 R N 0.173 120.691 120.500 0.031 0.000 2.623 179 R HA 0.250 4.589 4.340 -0.001 0.000 0.271 179 R C -0.485 175.834 176.300 0.031 0.000 1.043 179 R CA 0.056 56.097 56.100 -0.098 0.000 1.083 179 R CB 0.057 30.259 30.300 -0.163 0.000 0.974 179 R HN 0.639 nan 8.270 nan 0.000 0.436 187 L N 3.700 125.107 121.223 0.306 0.000 2.292 187 L HA 0.463 4.802 4.340 -0.001 0.000 0.284 187 L C -0.687 176.121 176.870 -0.104 0.000 1.065 187 L CA -0.427 54.425 54.840 0.020 0.000 0.806 187 L CB 0.687 42.689 42.059 -0.095 0.000 1.175 187 L HN 0.605 nan 8.230 nan 0.000 0.431 188 N N 2.618 121.084 118.700 -0.389 0.000 2.372 188 N HA 0.294 5.034 4.740 -0.001 0.000 0.285 188 N C -1.315 173.909 175.510 -0.478 0.000 1.008 188 N CA -0.458 52.260 53.050 -0.555 0.000 0.880 188 N CB 2.066 39.884 38.487 -1.115 0.000 1.239 188 N HN 0.468 nan 8.380 nan 0.000 0.484 189 C N 3.608 122.753 119.300 -0.258 0.000 2.206 189 C HA 0.377 4.836 4.460 -0.001 0.000 0.324 189 C C -1.614 173.332 174.990 -0.073 0.000 1.120 189 C CA -1.279 57.648 59.018 -0.152 0.000 1.546 189 C CB 0.097 27.743 27.740 -0.157 0.000 2.023 189 C HN 0.537 nan 8.230 nan 0.000 0.448 193 E N 0.205 120.020 120.200 -0.641 0.000 2.085 193 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 193 E C 1.691 178.154 176.600 -0.228 0.000 0.994 193 E CA 1.983 57.791 56.400 -0.986 0.000 0.801 193 E CB -0.048 29.014 29.700 -1.064 0.000 0.743 193 E HN 0.665 nan 8.360 nan 0.000 0.453 194 E N 0.941 121.064 120.200 -0.129 0.000 2.106 194 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 194 E C 1.680 178.305 176.600 0.043 0.000 0.984 194 E CA 1.717 58.107 56.400 -0.016 0.000 0.806 194 E CB -0.061 29.626 29.700 -0.021 0.000 0.750 194 E HN 0.351 nan 8.360 nan 0.000 0.458 195 E N -0.977 119.250 120.200 0.046 0.000 2.072 195 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 195 E C 1.827 178.528 176.600 0.168 0.000 0.985 195 E CA 1.143 57.595 56.400 0.087 0.000 0.801 195 E CB -0.358 29.378 29.700 0.060 0.000 0.750 195 E HN 0.385 nan 8.360 nan 0.000 0.452 196 Y N 1.889 122.247 120.300 0.096 0.000 2.145 196 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 196 Y C 2.071 178.119 175.900 0.246 0.000 1.145 196 Y CA 1.607 59.824 58.100 0.195 0.000 1.148 196 Y CB 0.011 38.622 38.460 0.252 0.000 0.981 196 Y HN -0.156 nan 8.280 nan 0.000 0.507 197 R N -0.075 120.495 120.500 0.117 0.000 2.091 197 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 197 R C 2.509 178.849 176.300 0.068 0.000 1.136 197 R CA 1.691 57.862 56.100 0.118 0.000 0.959 197 R CB -0.495 29.935 30.300 0.216 0.000 0.856 197 R HN 0.348 nan 8.270 nan 0.000 0.437 198 R N 0.315 120.862 120.500 0.080 0.000 2.083 198 R HA -0.180 4.159 4.340 -0.001 0.000 0.237 198 R C 2.123 178.470 176.300 0.079 0.000 1.137 198 R CA 1.621 57.764 56.100 0.073 0.000 0.951 198 R CB -0.337 30.012 30.300 0.082 0.000 0.851 198 R HN 0.159 nan 8.270 nan 0.000 0.434 199 F N 1.227 121.147 119.950 -0.051 0.000 2.102 199 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 199 F C 2.521 178.268 175.800 -0.089 0.000 1.105 199 F CA 2.091 60.065 58.000 -0.044 0.000 1.239 199 F CB -0.654 38.348 39.000 0.003 0.000 0.991 199 F HN 0.165 nan 8.300 nan 0.000 0.474 200 H N -0.171 118.733 119.070 -0.278 0.000 2.352 200 H HA -0.154 4.402 4.556 -0.001 0.000 0.299 200 H C 2.008 177.204 175.328 -0.219 0.000 1.097 200 H CA 1.827 57.656 56.048 -0.366 0.000 1.311 200 H CB -0.036 29.373 29.762 -0.587 0.000 1.377 200 H HN 0.274 nan 8.280 nan 0.000 0.504 201 Q N 0.438 120.121 119.800 -0.194 0.000 2.084 201 Q HA -0.078 4.261 4.340 -0.001 0.000 0.202 201 Q C 2.514 178.386 176.000 -0.212 0.000 0.978 201 Q CA 1.225 56.918 55.803 -0.183 0.000 0.844 201 Q CB -0.573 28.140 28.738 -0.041 0.000 0.898 201 Q HN 0.581 nan 8.270 nan 0.000 0.426 202 A N 0.653 123.353 122.820 -0.200 0.000 1.933 202 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 202 A C 2.246 179.676 177.584 -0.256 0.000 1.175 202 A CA 0.949 52.871 52.037 -0.192 0.000 0.628 202 A CB -0.656 18.249 19.000 -0.159 0.000 0.814 202 A HN 0.315 nan 8.150 nan 0.000 0.444 203 L N -0.585 120.410 121.223 -0.380 0.000 2.083 203 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 203 L C 2.466 179.181 176.870 -0.259 0.000 1.083 203 L CA 0.883 55.516 54.840 -0.344 0.000 0.752 203 L CB -0.445 41.371 42.059 -0.405 0.000 0.899 203 L HN 0.398 nan 8.230 nan 0.000 0.433 204 L N -0.618 120.425 121.223 -0.301 0.000 2.079 204 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 204 L C 2.046 178.829 176.870 -0.145 0.000 1.081 204 L CA 1.452 56.157 54.840 -0.226 0.000 0.752 204 L CB -0.343 41.572 42.059 -0.240 0.000 0.896 204 L HN 0.339 nan 8.230 nan 0.000 0.433 205 E N -0.337 119.782 120.200 -0.136 0.000 2.460 205 E HA 0.190 4.540 4.350 -0.001 0.000 0.200 205 E C 0.744 177.290 176.600 -0.089 0.000 1.011 205 E CA -0.089 56.253 56.400 -0.097 0.000 0.912 205 E CB 0.377 30.027 29.700 -0.082 0.000 0.953 205 E HN 0.361 nan 8.360 nan 0.000 0.494 206 A N 1.836 124.594 122.820 -0.103 0.000 2.531 206 A HA -0.027 4.293 4.320 -0.001 0.000 0.236 206 A C 0.222 177.756 177.584 -0.083 0.000 1.062 206 A CA 0.128 52.112 52.037 -0.087 0.000 0.760 206 A CB 0.177 19.122 19.000 -0.091 0.000 0.995 206 A HN 0.113 nan 8.150 nan 0.000 0.501 207 Q N 1.068 120.818 119.800 -0.084 0.000 2.313 207 Q HA 0.304 4.644 4.340 -0.001 0.000 0.266 207 Q C 0.222 176.138 176.000 -0.139 0.000 0.989 207 Q CA 0.259 55.998 55.803 -0.107 0.000 0.890 207 Q CB 0.717 29.386 28.738 -0.116 0.000 1.200 207 Q HN 0.780 nan 8.270 nan 0.000 0.396 208 R N 1.459 121.872 120.500 -0.144 0.000 2.854 208 R HA 0.467 4.807 4.340 -0.001 0.000 0.271 208 R C -0.679 175.511 176.300 -0.184 0.000 0.994 208 R CA -0.937 55.072 56.100 -0.150 0.000 0.945 208 R CB 1.236 31.497 30.300 -0.065 0.000 1.194 208 R HN 0.569 nan 8.270 nan 0.000 0.476 209 H N 0.449 119.499 119.070 -0.033 0.000 2.690 209 H HA 0.077 4.633 4.556 -0.001 0.000 0.365 209 H C -0.210 175.079 175.328 -0.065 0.000 1.142 209 H CA 0.365 56.377 56.048 -0.061 0.000 1.417 209 H CB 1.440 31.167 29.762 -0.058 0.000 1.446 209 H HN 0.533 nan 8.280 nan 0.000 0.599 210 T N 3.298 117.880 114.554 0.047 0.000 2.795 210 T HA 0.305 4.655 4.350 -0.001 0.000 0.282 210 T C -2.111 172.540 174.700 -0.083 0.000 0.980 210 T CA -1.478 60.612 62.100 -0.016 0.000 1.012 210 T CB 0.311 69.162 68.868 -0.028 0.000 0.936 210 T HN 0.357 nan 8.240 nan 0.000 0.457 211 P HA 0.202 nan 4.420 nan 0.000 0.268 211 P C 0.181 177.427 177.300 -0.090 0.000 1.208 211 P CA -0.257 62.825 63.100 -0.030 0.000 0.777 211 P CB 0.348 32.108 31.700 0.101 0.000 0.875 221 E N 1.540 121.764 120.200 0.041 0.000 2.233 221 E HA -0.174 4.176 4.350 -0.001 0.000 0.199 221 E C 2.165 178.799 176.600 0.058 0.000 1.004 221 E CA 1.580 58.017 56.400 0.061 0.000 0.819 221 E CB -0.155 29.567 29.700 0.037 0.000 0.738 221 E HN 0.442 nan 8.360 nan 0.000 0.478 222 A N -0.732 122.129 122.820 0.069 0.000 2.238 222 A HA 0.068 4.388 4.320 -0.001 0.000 0.210 222 A C 0.805 178.428 177.584 0.065 0.000 1.179 222 A CA -0.070 52.005 52.037 0.063 0.000 0.827 222 A CB 0.009 19.051 19.000 0.069 0.000 0.856 222 A HN 0.324 nan 8.150 nan 0.000 0.488 223 C N 1.727 121.070 119.300 0.071 0.000 2.256 223 C HA 0.607 5.067 4.460 -0.001 0.000 0.333 223 C C -0.197 174.777 174.990 -0.026 0.000 1.183 223 C CA -0.557 58.493 59.018 0.052 0.000 1.692 223 C CB -1.272 26.528 27.740 0.100 0.000 2.274 223 C HN 0.275 nan 8.230 nan 0.000 0.509 224 V N 9.432 129.329 119.914 -0.029 0.000 2.398 224 V HA 0.413 4.533 4.120 -0.001 0.000 0.286 224 V C -1.988 174.056 176.094 -0.083 0.000 1.026 224 V CA -1.521 60.744 62.300 -0.058 0.000 0.868 224 V CB 1.643 33.450 31.823 -0.027 0.000 0.982 224 V HN 0.711 nan 8.190 nan 0.000 0.443 225 P HA 0.030 nan 4.420 nan 0.000 0.266 225 P C 1.105 178.354 177.300 -0.086 0.000 1.195 225 P CA -0.015 63.022 63.100 -0.105 0.000 0.768 225 P CB 0.593 32.224 31.700 -0.114 0.000 0.838 226 V N 1.548 121.402 119.914 -0.100 0.000 2.469 226 V HA -0.250 3.870 4.120 -0.001 0.000 0.251 226 V C 1.827 177.871 176.094 -0.084 0.000 1.064 226 V CA 2.032 64.247 62.300 -0.143 0.000 1.066 226 V CB -1.410 30.241 31.823 -0.286 0.000 0.667 226 V HN 0.602 nan 8.190 nan 0.000 0.461 227 E N 1.303 121.464 120.200 -0.065 0.000 2.204 227 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 227 E C 1.976 178.539 176.600 -0.061 0.000 0.989 227 E CA 1.786 58.142 56.400 -0.074 0.000 0.824 227 E CB -0.262 29.398 29.700 -0.067 0.000 0.756 227 E HN 0.682 nan 8.360 nan 0.000 0.477 228 E N 1.304 121.474 120.200 -0.049 0.000 2.112 228 E HA 0.012 4.361 4.350 -0.001 0.000 0.190 228 E C 2.309 178.905 176.600 -0.006 0.000 0.979 228 E CA 0.569 56.950 56.400 -0.031 0.000 0.814 228 E CB -0.306 29.372 29.700 -0.036 0.000 0.762 228 E HN 0.298 nan 8.360 nan 0.000 0.460 229 L N 0.060 121.277 121.223 -0.009 0.000 2.042 229 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 229 L C 2.491 179.409 176.870 0.080 0.000 1.076 229 L CA 1.294 56.149 54.840 0.025 0.000 0.749 229 L CB -0.684 41.375 42.059 0.001 0.000 0.893 229 L HN 0.214 nan 8.230 nan 0.000 0.432 230 A N 0.088 122.949 122.820 0.069 0.000 1.908 230 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 230 A C 2.368 180.040 177.584 0.148 0.000 1.181 230 A CA 1.644 53.767 52.037 0.144 0.000 0.627 230 A CB -0.518 18.441 19.000 -0.069 0.000 0.818 230 A HN 0.347 nan 8.150 nan 0.000 0.445 231 R N -0.874 119.648 120.500 0.038 0.000 2.189 231 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 231 R C 1.899 178.248 176.300 0.082 0.000 1.092 231 R CA 1.046 57.167 56.100 0.036 0.000 0.989 231 R CB -0.167 30.130 30.300 -0.004 0.000 0.876 231 R HN 0.480 nan 8.270 nan 0.000 0.457 232 R N 0.019 120.574 120.500 0.092 0.000 2.313 232 R HA 0.110 4.449 4.340 -0.001 0.000 0.199 232 R C 0.322 176.699 176.300 0.128 0.000 0.958 232 R CA 0.415 56.569 56.100 0.090 0.000 1.047 232 R CB 0.748 31.086 30.300 0.064 0.000 0.955 232 R HN 0.191 nan 8.270 nan 0.000 0.481 233 G N -0.998 107.916 108.800 0.190 0.000 2.312 233 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.347 233 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.347 233 G C -0.551 174.481 174.900 0.219 0.000 1.564 233 G CA -0.819 44.411 45.100 0.217 0.000 0.981 233 G HN 0.079 nan 8.290 nan 0.000 0.678 234 Y N 0.249 120.555 120.300 0.010 0.000 2.193 234 Y HA -0.216 4.334 4.550 -0.001 0.000 0.285 234 Y C 2.852 178.726 175.900 -0.044 0.000 1.166 234 Y CA 2.970 60.928 58.100 -0.238 0.000 1.181 234 Y CB 0.187 38.589 38.460 -0.097 0.000 0.976 234 Y HN 0.621 nan 8.280 nan 0.000 0.520 235 Q N -1.153 118.733 119.800 0.142 0.000 2.297 235 Q HA -0.111 4.229 4.340 -0.001 0.000 0.204 235 Q C 1.990 178.017 176.000 0.046 0.000 0.962 235 Q CA 1.506 57.326 55.803 0.029 0.000 0.879 235 Q CB -0.043 28.811 28.738 0.193 0.000 0.947 235 Q HN 0.484 nan 8.270 nan 0.000 0.462 236 T N 1.638 116.283 114.554 0.150 0.000 2.652 236 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 236 T C 1.862 176.635 174.700 0.122 0.000 1.039 236 T CA 0.994 63.211 62.100 0.195 0.000 1.153 236 T CB -0.268 68.689 68.868 0.147 0.000 0.863 236 T HN 0.201 nan 8.240 nan 0.000 0.428 237 L N 0.367 121.641 121.223 0.085 0.000 2.191 237 L HA 0.001 4.340 4.340 -0.001 0.000 0.212 237 L C 2.402 179.237 176.870 -0.058 0.000 1.103 237 L CA 0.875 55.755 54.840 0.067 0.000 0.769 237 L CB -0.599 41.602 42.059 0.237 0.000 0.908 237 L HN 0.256 nan 8.230 nan 0.000 0.438 238 L N -1.883 119.198 121.223 -0.238 0.000 2.217 238 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 238 L C 2.209 178.869 176.870 -0.350 0.000 1.107 238 L CA 0.882 55.447 54.840 -0.458 0.000 0.783 238 L CB -0.369 41.248 42.059 -0.737 0.000 0.919 238 L HN 0.143 nan 8.230 nan 0.000 0.442 239 F N -0.074 119.796 119.950 -0.133 0.000 2.456 239 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 239 F C 1.950 177.707 175.800 -0.072 0.000 1.104 239 F CA 0.631 58.577 58.000 -0.089 0.000 1.435 239 F CB -0.587 38.380 39.000 -0.055 0.000 1.078 239 F HN -0.044 nan 8.300 nan 0.000 0.546 240 G N -0.290 108.570 108.800 0.100 0.000 3.434 240 G HA2 0.259 4.218 3.960 -0.001 0.000 0.192 240 G HA3 0.259 4.218 3.960 -0.001 0.000 0.192 240 G C -2.170 172.729 174.900 -0.001 0.000 1.704 240 G CA -0.300 44.826 45.100 0.044 0.000 0.936 240 G HN -0.107 nan 8.290 nan 0.000 0.623 244 P HA 0.089 nan 4.420 nan 0.000 0.266 244 P C 0.069 177.293 177.300 -0.126 0.000 1.381 244 P CA -0.150 62.879 63.100 -0.118 0.000 0.940 244 P CB 0.332 31.956 31.700 -0.127 0.000 1.435 245 V N 1.456 121.287 119.914 -0.137 0.000 2.539 245 V HA 0.163 4.283 4.120 -0.001 0.000 0.300 245 V C 1.838 177.728 176.094 -0.341 0.000 1.019 245 V CA 1.793 63.998 62.300 -0.160 0.000 1.160 245 V CB -0.883 30.899 31.823 -0.069 0.000 0.901 245 V HN 0.563 nan 8.190 nan 0.000 0.481 246 G N 3.961 112.458 108.800 -0.504 0.000 2.162 246 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 246 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 246 G C -0.130 174.524 174.900 -0.411 0.000 0.976 246 G CA 0.266 44.806 45.100 -0.934 0.000 0.655 246 G HN 0.595 nan 8.290 nan 0.000 0.533 247 L N 0.066 121.176 121.223 -0.189 0.000 2.325 247 L HA 0.765 5.104 4.340 -0.001 0.000 0.278 247 L C 0.011 176.871 176.870 -0.017 0.000 1.023 247 L CA -1.352 53.488 54.840 -0.000 0.000 0.811 247 L CB 2.239 44.382 42.059 0.140 0.000 1.249 247 L HN -0.082 nan 8.230 nan 0.000 0.431 248 V N 0.977 120.858 119.914 -0.055 0.000 2.483 248 V HA 0.201 4.320 4.120 -0.001 0.000 0.297 248 V C -0.565 175.215 176.094 -0.524 0.000 1.027 248 V CA -0.664 61.525 62.300 -0.185 0.000 0.855 248 V CB 1.802 33.544 31.823 -0.136 0.000 0.995 248 V HN 0.640 nan 8.190 nan 0.000 0.424 249 D N 7.030 127.114 120.400 -0.526 0.000 2.358 249 D HA 0.220 4.860 4.640 -0.001 0.000 0.258 249 D C -1.588 174.397 176.300 -0.523 0.000 1.223 249 D CA -1.898 51.618 54.000 -0.806 0.000 0.886 249 D CB 2.112 42.726 40.800 -0.310 0.000 1.120 249 D HN 0.203 nan 8.370 nan 0.000 0.482 250 P HA -0.068 nan 4.420 nan 0.000 0.221 250 P C 1.115 178.315 177.300 -0.167 0.000 1.145 250 P CA 0.886 63.823 63.100 -0.273 0.000 0.795 250 P CB 0.271 31.850 31.700 -0.202 0.000 0.775 251 R N -0.954 119.453 120.500 -0.156 0.000 2.115 251 R HA -0.005 4.335 4.340 -0.001 0.000 0.226 251 R C 1.914 178.171 176.300 -0.073 0.000 1.100 251 R CA 1.937 57.987 56.100 -0.084 0.000 0.980 251 R CB -0.855 29.415 30.300 -0.051 0.000 0.875 251 R HN 0.340 nan 8.270 nan 0.000 0.445 252 T N -4.443 110.057 114.554 -0.091 0.000 2.990 252 T HA 0.196 4.546 4.350 -0.001 0.000 0.250 252 T C 1.382 176.041 174.700 -0.068 0.000 1.041 252 T CA 0.494 62.556 62.100 -0.063 0.000 1.010 252 T CB 0.949 69.788 68.868 -0.047 0.000 1.003 252 T HN 0.313 nan 8.240 nan 0.000 0.499 253 G N 1.662 110.403 108.800 -0.098 0.000 2.153 253 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.252 253 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.252 253 G C -0.101 174.754 174.900 -0.076 0.000 0.994 253 G CA 0.630 45.678 45.100 -0.087 0.000 0.698 253 G HN 0.734 nan 8.290 nan 0.000 0.521 254 K N -0.497 119.854 120.400 -0.081 0.000 2.466 254 K HA 0.475 4.795 4.320 -0.001 0.000 0.260 254 K C -0.142 176.419 176.600 -0.064 0.000 1.011 254 K CA -0.995 55.258 56.287 -0.057 0.000 0.871 254 K CB 1.796 34.278 32.500 -0.030 0.000 1.404 254 K HN 0.170 nan 8.250 nan 0.000 0.450 255 E N 3.030 123.204 120.200 -0.044 0.000 2.465 255 E HA 0.012 4.362 4.350 -0.001 0.000 0.260 255 E C -2.000 174.594 176.600 -0.010 0.000 0.980 255 E CA -1.272 55.105 56.400 -0.038 0.000 0.927 255 E CB 0.404 30.077 29.700 -0.045 0.000 0.934 255 E HN 0.144 nan 8.360 nan 0.000 0.459 256 P HA -0.048 nan 4.420 nan 0.000 0.274 256 P C 0.108 177.440 177.300 0.054 0.000 1.246 256 P CA -0.080 63.061 63.100 0.068 0.000 0.795 256 P CB 0.466 32.244 31.700 0.130 0.000 1.006 257 F N 1.177 121.109 119.950 -0.030 0.000 2.102 257 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 257 F C 0.732 176.460 175.800 -0.120 0.000 1.105 257 F CA 1.749 59.709 58.000 -0.067 0.000 1.239 257 F CB -0.149 38.825 39.000 -0.043 0.000 0.991 257 F HN 0.491 nan 8.300 nan 0.000 0.474 258 A N -0.659 122.175 122.820 0.023 0.000 2.609 258 A HA 0.640 4.959 4.320 -0.001 0.000 0.291 258 A C -1.374 176.214 177.584 0.006 0.000 1.096 258 A CA -0.044 51.933 52.037 -0.100 0.000 0.684 258 A CB 1.183 20.129 19.000 -0.089 0.000 1.282 258 A HN 0.577 nan 8.150 nan 0.000 0.412 259 V N -1.755 118.143 119.914 -0.026 0.000 3.078 259 V HA 0.900 5.020 4.120 -0.001 0.000 0.311 259 V C -0.996 175.087 176.094 -0.017 0.000 1.138 259 V CA -0.816 61.468 62.300 -0.027 0.000 1.007 259 V CB 1.486 33.273 31.823 -0.060 0.000 1.045 259 V HN 0.955 nan 8.190 nan 0.000 0.432 260 V N 3.026 122.897 119.914 -0.072 0.000 2.398 260 V HA 0.491 4.611 4.120 -0.001 0.000 0.286 260 V C -0.017 176.026 176.094 -0.085 0.000 1.026 260 V CA -0.310 61.945 62.300 -0.076 0.000 0.868 260 V CB 1.316 32.976 31.823 -0.272 0.000 0.982 260 V HN 1.020 nan 8.190 nan 0.000 0.443 261 Q N 3.727 123.519 119.800 -0.012 0.000 2.222 261 Q HA 0.697 5.037 4.340 -0.001 0.000 0.252 261 Q C -1.460 174.604 176.000 0.107 0.000 0.926 261 Q CA -0.735 55.078 55.803 0.017 0.000 0.899 261 Q CB 2.324 31.054 28.738 -0.013 0.000 1.250 261 Q HN 0.492 nan 8.270 nan 0.000 0.441 262 L N 1.857 123.203 121.223 0.205 0.000 2.362 262 L HA 0.578 4.918 4.340 -0.001 0.000 0.271 262 L C -0.522 176.650 176.870 0.503 0.000 1.002 262 L CA -0.549 54.483 54.840 0.319 0.000 0.818 262 L CB 1.848 44.087 42.059 0.301 0.000 1.298 262 L HN 0.587 nan 8.230 nan 0.000 0.420 263 R N 1.252 121.942 120.500 0.318 0.000 2.750 263 R HA 0.584 4.923 4.340 -0.001 0.000 0.281 263 R C -0.903 175.051 176.300 -0.577 0.000 0.972 263 R CA -0.869 55.182 56.100 -0.081 0.000 0.912 263 R CB 1.528 31.774 30.300 -0.090 0.000 1.187 263 R HN 0.603 nan 8.270 nan 0.000 0.464 264 Q N 1.304 120.322 119.800 -1.303 0.000 2.313 264 Q HA 0.021 4.361 4.340 -0.001 0.000 0.266 264 Q C -0.230 175.365 176.000 -0.676 0.000 0.989 264 Q CA -0.009 54.860 55.803 -1.557 0.000 0.890 264 Q CB 1.014 28.867 28.738 -1.476 0.000 1.200 264 Q HN 0.712 nan 8.270 nan 0.000 0.396 265 E N 2.304 122.229 120.200 -0.459 0.000 2.206 265 E HA 0.000 4.350 4.350 -0.001 0.000 0.195 265 E C -0.286 176.232 176.600 -0.137 0.000 0.935 265 E CA 0.462 56.755 56.400 -0.179 0.000 0.875 265 E CB 0.310 30.015 29.700 0.009 0.000 0.841 265 E HN 0.763 nan 8.360 nan 0.000 0.477 266 D N 0.352 120.702 120.400 -0.083 0.000 2.277 266 D HA 0.085 4.725 4.640 -0.001 0.000 0.250 266 D C 0.829 177.061 176.300 -0.113 0.000 1.032 266 D CA -0.462 53.518 54.000 -0.034 0.000 0.947 266 D CB 1.990 42.881 40.800 0.153 0.000 1.159 266 D HN -0.228 nan 8.370 nan 0.000 0.460 267 K N 0.532 120.872 120.400 -0.101 0.000 2.063 267 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 267 K C 1.796 178.358 176.600 -0.064 0.000 1.048 267 K CA 1.401 57.631 56.287 -0.096 0.000 0.928 267 K CB -0.303 32.148 32.500 -0.083 0.000 0.713 267 K HN 0.522 nan 8.250 nan 0.000 0.442 268 A N -0.031 122.775 122.820 -0.024 0.000 2.119 268 A HA 0.094 4.414 4.320 -0.001 0.000 0.217 268 A C 1.459 179.042 177.584 -0.002 0.000 1.153 268 A CA 1.190 53.225 52.037 -0.003 0.000 0.692 268 A CB -0.516 18.501 19.000 0.028 0.000 0.799 268 A HN 0.576 nan 8.150 nan 0.000 0.458 269 G N -1.007 107.788 108.800 -0.009 0.000 2.143 269 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.248 269 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.248 269 G C 0.394 175.424 174.900 0.217 0.000 0.991 269 G CA 0.494 45.624 45.100 0.050 0.000 0.689 269 G HN 0.668 nan 8.290 nan 0.000 0.522 273 S N 1.572 117.350 115.700 0.129 0.000 2.617 273 S HA 0.803 5.272 4.470 -0.001 0.000 0.283 273 S C -0.739 173.924 174.600 0.105 0.000 1.189 273 S CA -0.719 57.525 58.200 0.074 0.000 1.036 273 S CB 1.254 64.474 63.200 0.034 0.000 1.014 273 S HN 0.336 nan 8.310 nan 0.000 0.522 274 L N 2.900 124.155 121.223 0.053 0.000 2.369 274 L HA 0.290 4.629 4.340 -0.001 0.000 0.279 274 L C -0.184 176.802 176.870 0.192 0.000 1.108 274 L CA -0.009 54.851 54.840 0.033 0.000 0.852 274 L CB 0.688 42.641 42.059 -0.177 0.000 1.169 274 L HN 0.585 nan 8.230 nan 0.000 0.452 275 V N 3.980 124.028 119.914 0.223 0.000 2.479 275 V HA 0.342 4.462 4.120 -0.001 0.000 0.281 275 V C 1.264 177.541 176.094 0.305 0.000 1.031 275 V CA 0.700 63.142 62.300 0.237 0.000 1.038 275 V CB 0.350 32.289 31.823 0.194 0.000 0.981 275 V HN 1.030 nan 8.190 nan 0.000 0.478 276 G N 4.518 113.446 108.800 0.214 0.000 2.143 276 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 276 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 276 G C 0.035 174.948 174.900 0.022 0.000 0.991 276 G CA 0.028 45.195 45.100 0.111 0.000 0.689 276 G HN 0.637 nan 8.290 nan 0.000 0.522 277 F N 1.886 121.875 119.950 0.065 0.000 2.837 277 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 277 F C 1.438 177.269 175.800 0.052 0.000 1.161 277 F CA -0.454 57.590 58.000 0.072 0.000 1.353 277 F CB 0.347 39.400 39.000 0.088 0.000 0.951 277 F HN 0.370 nan 8.300 nan 0.000 0.508 278 Q N 0.691 120.551 119.800 0.099 0.000 2.304 278 Q HA 0.084 4.424 4.340 -0.001 0.000 0.301 278 Q C -0.170 175.849 176.000 0.031 0.000 1.063 278 Q CA 0.584 56.422 55.803 0.058 0.000 0.947 278 Q CB 1.165 29.922 28.738 0.031 0.000 1.201 278 Q HN 0.272 nan 8.270 nan 0.000 0.389 279 T N 0.152 114.730 114.554 0.040 0.000 2.885 279 T HA 0.570 4.919 4.350 -0.001 0.000 0.322 279 T C -0.163 174.577 174.700 0.066 0.000 1.387 279 T CA -0.014 62.117 62.100 0.051 0.000 1.041 279 T CB 1.254 70.195 68.868 0.121 0.000 1.287 279 T HN 0.633 nan 8.240 nan 0.000 0.491 280 G N 2.461 111.297 108.800 0.060 0.000 3.453 280 G HA2 0.359 4.318 3.960 -0.001 0.000 0.263 280 G HA3 0.359 4.318 3.960 -0.001 0.000 0.263 280 G C 0.367 175.379 174.900 0.187 0.000 1.060 280 G CA -0.256 44.921 45.100 0.127 0.000 0.793 280 G HN 0.659 nan 8.290 nan 0.000 0.532 281 L N 0.999 122.310 121.223 0.147 0.000 2.483 281 L HA 0.171 4.510 4.340 -0.001 0.000 0.275 281 L C 0.628 177.574 176.870 0.127 0.000 1.220 281 L CA -0.092 54.797 54.840 0.082 0.000 0.833 281 L CB 0.632 42.739 42.059 0.081 0.000 1.102 281 L HN 0.069 nan 8.230 nan 0.000 0.490 282 K N 1.664 121.967 120.400 -0.162 0.000 2.414 282 K HA -0.096 4.224 4.320 -0.001 0.000 0.272 282 K C 0.436 177.126 176.600 0.150 0.000 0.993 282 K CA -0.173 55.972 56.287 -0.236 0.000 0.964 282 K CB 0.552 32.822 32.500 -0.385 0.000 0.925 282 K HN 0.467 nan 8.250 nan 0.000 0.487 283 W N 2.234 123.432 121.300 -0.169 0.000 2.358 283 W HA -0.043 4.616 4.660 -0.001 0.000 0.303 283 W C -0.723 175.604 176.519 -0.321 0.000 1.208 283 W CA 0.525 57.592 57.345 -0.464 0.000 1.274 283 W CB -2.013 26.883 29.460 -0.940 0.000 1.138 283 W HN 0.627 nan 8.180 nan 0.000 0.515 284 P HA -0.147 nan 4.420 nan 0.000 0.218 284 P C 1.496 178.836 177.300 0.066 0.000 1.149 284 P CA 1.866 64.991 63.100 0.041 0.000 0.817 284 P CB 0.015 31.720 31.700 0.008 0.000 0.785 285 E N -0.155 120.072 120.200 0.046 0.000 2.072 285 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 285 E C 2.065 178.721 176.600 0.094 0.000 0.985 285 E CA 1.061 57.486 56.400 0.042 0.000 0.801 285 E CB -0.530 29.168 29.700 -0.003 0.000 0.750 285 E HN 0.454 nan 8.360 nan 0.000 0.452 286 Q N 0.724 120.620 119.800 0.160 0.000 2.061 286 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 286 Q C 2.268 178.405 176.000 0.227 0.000 0.984 286 Q CA 1.469 57.406 55.803 0.223 0.000 0.846 286 Q CB -0.188 28.756 28.738 0.344 0.000 0.902 286 Q HN 0.128 nan 8.270 nan 0.000 0.421 287 K N 1.057 121.631 120.400 0.289 0.000 2.026 287 K HA -0.216 4.104 4.320 -0.001 0.000 0.208 287 K C 2.169 178.849 176.600 0.133 0.000 1.048 287 K CA 1.316 57.738 56.287 0.226 0.000 0.929 287 K CB -0.072 32.586 32.500 0.263 0.000 0.713 287 K HN -0.002 nan 8.250 nan 0.000 0.439 288 R N 0.352 120.919 120.500 0.112 0.000 2.091 288 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 288 R C 2.273 178.629 176.300 0.094 0.000 1.136 288 R CA 1.249 57.397 56.100 0.080 0.000 0.959 288 R CB -0.116 30.216 30.300 0.052 0.000 0.856 288 R HN 0.217 nan 8.270 nan 0.000 0.437 289 L N 0.588 121.876 121.223 0.109 0.000 2.027 289 L HA -0.143 4.197 4.340 -0.001 0.000 0.206 289 L C 2.431 179.473 176.870 0.287 0.000 1.074 289 L CA 1.551 56.491 54.840 0.166 0.000 0.745 289 L CB -0.722 41.388 42.059 0.086 0.000 0.898 289 L HN 0.325 nan 8.230 nan 0.000 0.433 290 I N -0.594 120.084 120.570 0.181 0.000 2.264 290 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 290 I C 1.632 177.772 176.117 0.040 0.000 1.111 290 I CA 0.802 62.155 61.300 0.087 0.000 1.382 290 I CB -0.076 37.934 38.000 0.016 0.000 1.060 290 I HN 0.397 nan 8.210 nan 0.000 0.418 294 P HA 0.137 nan 4.420 nan 0.000 0.262 294 P C 0.900 178.143 177.300 -0.096 0.000 1.182 294 P CA 1.159 64.214 63.100 -0.075 0.000 0.761 294 P CB 0.579 32.250 31.700 -0.049 0.000 0.795 295 G N 2.637 111.383 108.800 -0.090 0.000 2.258 295 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.233 295 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.233 295 G C 0.498 175.321 174.900 -0.129 0.000 1.006 295 G CA -0.004 45.027 45.100 -0.116 0.000 0.620 295 G HN 0.496 nan 8.290 nan 0.000 0.511 296 L N 0.566 121.719 121.223 -0.116 0.000 2.769 296 L HA 0.361 4.700 4.340 -0.001 0.000 0.240 296 L C 1.909 178.735 176.870 -0.073 0.000 1.163 296 L CA 0.121 54.895 54.840 -0.110 0.000 0.962 296 L CB 0.436 42.420 42.059 -0.124 0.000 1.258 296 L HN 0.119 nan 8.230 nan 0.000 0.513 297 E N 0.851 121.014 120.200 -0.061 0.000 2.160 297 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 297 E C 0.944 177.527 176.600 -0.029 0.000 0.991 297 E CA 1.021 57.400 56.400 -0.035 0.000 0.810 297 E CB 0.044 29.726 29.700 -0.031 0.000 0.742 297 E HN 0.368 nan 8.360 nan 0.000 0.466 298 N N -0.162 118.511 118.700 -0.044 0.000 2.351 298 N HA 0.228 4.968 4.740 -0.001 0.000 0.254 298 N C -0.858 174.624 175.510 -0.046 0.000 1.241 298 N CA 0.027 53.056 53.050 -0.036 0.000 0.883 298 N CB 1.085 39.549 38.487 -0.037 0.000 1.202 298 N HN 0.006 nan 8.380 nan 0.000 0.512 299 A N 1.111 123.897 122.820 -0.056 0.000 2.498 299 A HA 0.038 4.358 4.320 -0.001 0.000 0.239 299 A C 0.476 178.031 177.584 -0.049 0.000 1.068 299 A CA 0.115 52.110 52.037 -0.070 0.000 0.766 299 A CB 0.393 19.341 19.000 -0.087 0.000 1.003 299 A HN 0.321 nan 8.150 nan 0.000 0.497 300 E N 2.359 122.529 120.200 -0.049 0.000 2.081 300 E HA 0.418 4.768 4.350 -0.001 0.000 0.281 300 E C -1.107 175.445 176.600 -0.080 0.000 0.986 300 E CA -0.386 55.995 56.400 -0.033 0.000 0.796 300 E CB 0.369 30.068 29.700 -0.002 0.000 1.085 300 E HN 0.557 nan 8.360 nan 0.000 0.398 301 I N 5.613 126.098 120.570 -0.143 0.000 2.337 301 I HA 0.002 4.172 4.170 -0.001 0.000 0.291 301 I C 1.242 177.170 176.117 -0.314 0.000 1.046 301 I CA -0.205 60.897 61.300 -0.330 0.000 1.324 301 I CB 1.294 38.900 38.000 -0.656 0.000 1.409 301 I HN 0.535 nan 8.210 nan 0.000 0.494 302 V N 2.894 122.649 119.914 -0.264 0.000 3.471 302 V HA 0.341 4.460 4.120 -0.001 0.000 0.258 302 V C 0.757 176.658 176.094 -0.322 0.000 1.192 302 V CA 0.331 62.516 62.300 -0.191 0.000 1.116 302 V CB -0.186 31.568 31.823 -0.115 0.000 0.792 302 V HN 0.763 nan 8.190 nan 0.000 0.459 303 R N 0.031 120.247 120.500 -0.472 0.000 2.512 303 R HA 0.363 4.703 4.340 -0.001 0.000 0.291 303 R C -2.034 173.933 176.300 -0.554 0.000 1.097 303 R CA -0.574 55.158 56.100 -0.613 0.000 0.940 303 R CB 1.510 31.393 30.300 -0.695 0.000 1.198 303 R HN 0.372 nan 8.270 nan 0.000 0.429 304 Y N 0.589 120.561 120.300 -0.547 0.000 2.301 304 Y HA 0.365 4.915 4.550 -0.001 0.000 0.328 304 Y C 1.570 177.214 175.900 -0.426 0.000 1.242 304 Y CA 0.821 58.496 58.100 -0.708 0.000 1.323 304 Y CB 1.010 38.427 38.460 -1.738 0.000 1.266 304 Y HN 0.695 nan 8.280 nan 0.000 0.527 305 G N 0.842 109.603 108.800 -0.066 0.000 2.483 305 G HA2 0.466 4.426 3.960 -0.001 0.000 0.248 305 G HA3 0.466 4.426 3.960 -0.001 0.000 0.248 305 G C -0.652 174.333 174.900 0.143 0.000 1.248 305 G CA -0.055 45.064 45.100 0.032 0.000 0.838 305 G HN 0.738 nan 8.290 nan 0.000 0.566 309 R N 1.273 122.121 120.500 0.579 0.000 2.458 309 R HA 0.343 4.683 4.340 -0.001 0.000 0.303 309 R C -0.942 175.615 176.300 0.428 0.000 1.013 309 R CA 0.567 56.894 56.100 0.377 0.000 1.026 309 R CB -0.516 29.908 30.300 0.206 0.000 0.948 309 R HN 0.838 nan 8.270 nan 0.000 0.417 310 N N 2.030 120.988 118.700 0.430 0.000 2.976 310 N HA 0.091 4.831 4.740 -0.001 0.000 0.249 310 N C -1.863 173.900 175.510 0.422 0.000 1.258 310 N CA -0.267 53.029 53.050 0.409 0.000 0.864 310 N CB 1.214 39.986 38.487 0.474 0.000 1.551 310 N HN 0.569 nan 8.380 nan 0.000 0.607 311 T N 3.421 118.166 114.554 0.319 0.000 2.814 311 T HA 0.400 4.750 4.350 -0.001 0.000 0.297 311 T C -0.914 173.959 174.700 0.287 0.000 0.956 311 T CA 0.479 62.707 62.100 0.214 0.000 1.123 311 T CB -0.114 68.850 68.868 0.159 0.000 0.902 311 T HN 0.449 nan 8.240 nan 0.000 0.528 312 Y N 1.049 121.362 120.300 0.021 0.000 2.624 312 Y HA 0.682 5.232 4.550 -0.000 0.000 0.334 312 Y C -1.812 174.121 175.900 0.055 0.000 1.155 312 Y CA -1.769 56.369 58.100 0.065 0.000 1.046 312 Y CB 0.623 39.149 38.460 0.111 0.000 1.316 312 Y HN 0.409 nan 8.280 nan 0.000 0.457 313 L N 2.447 123.732 121.223 0.103 0.000 2.399 313 L HA 0.366 4.705 4.340 -0.001 0.000 0.265 313 L C 0.345 177.270 176.870 0.092 0.000 1.089 313 L CA -0.942 53.902 54.840 0.007 0.000 0.802 313 L CB 0.807 42.853 42.059 -0.022 0.000 1.180 313 L HN 0.741 nan 8.230 nan 0.000 0.454 314 N N 1.290 119.999 118.700 0.015 0.000 2.549 314 N HA 0.072 4.812 4.740 -0.001 0.000 0.267 314 N C 0.615 175.910 175.510 -0.359 0.000 1.182 314 N CA 0.169 53.197 53.050 -0.037 0.000 1.019 314 N CB 1.285 39.840 38.487 0.114 0.000 1.380 314 N HN 0.766 nan 8.380 nan 0.000 0.505 315 A N 5.705 128.171 122.820 -0.589 0.000 1.883 315 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 315 A C -0.479 176.746 177.584 -0.600 0.000 1.186 315 A CA 1.132 52.825 52.037 -0.574 0.000 0.624 315 A CB -1.023 17.702 19.000 -0.459 0.000 0.822 315 A HN 0.488 nan 8.150 nan 0.000 0.444 316 P HA -0.114 nan 4.420 nan 0.000 0.218 316 P C 1.364 178.432 177.300 -0.387 0.000 1.149 316 P CA 0.904 63.701 63.100 -0.504 0.000 0.817 316 P CB -0.034 31.375 31.700 -0.485 0.000 0.785 317 R N -1.072 119.184 120.500 -0.407 0.000 2.161 317 R HA 0.172 4.512 4.340 -0.001 0.000 0.213 317 R C 2.024 178.056 176.300 -0.448 0.000 1.055 317 R CA 0.853 56.693 56.100 -0.433 0.000 0.996 317 R CB -0.917 29.012 30.300 -0.618 0.000 0.901 317 R HN 0.321 nan 8.270 nan 0.000 0.456 318 L N -0.441 120.512 121.223 -0.449 0.000 2.609 318 L HA 0.286 4.626 4.340 -0.001 0.000 0.230 318 L C 0.420 177.001 176.870 -0.481 0.000 1.064 318 L CA 0.141 54.712 54.840 -0.448 0.000 0.873 318 L CB 0.318 42.070 42.059 -0.511 0.000 1.139 318 L HN -0.092 nan 8.230 nan 0.000 0.490 319 L N -0.453 120.485 121.223 -0.475 0.000 2.346 319 L HA 0.597 4.937 4.340 -0.001 0.000 0.274 319 L C 0.364 177.065 176.870 -0.282 0.000 1.007 319 L CA -0.672 53.899 54.840 -0.447 0.000 0.818 319 L CB 1.774 43.549 42.059 -0.474 0.000 1.284 319 L HN -0.109 nan 8.230 nan 0.000 0.424 320 G N 0.226 108.902 108.800 -0.206 0.000 2.580 320 G HA2 0.177 4.137 3.960 -0.001 0.000 0.278 320 G HA3 0.177 4.137 3.960 -0.001 0.000 0.278 320 G C 0.775 175.613 174.900 -0.103 0.000 1.212 320 G CA -0.264 44.756 45.100 -0.132 0.000 0.939 320 G HN 0.789 nan 8.290 nan 0.000 0.513 321 E N -0.900 119.258 120.200 -0.070 0.000 2.409 321 E HA -0.168 4.182 4.350 -0.001 0.000 0.198 321 E C 1.810 178.403 176.600 -0.011 0.000 1.024 321 E CA 1.596 57.969 56.400 -0.044 0.000 0.861 321 E CB -0.819 28.857 29.700 -0.039 0.000 0.788 321 E HN 0.476 nan 8.360 nan 0.000 0.521 322 T N -0.900 113.659 114.554 0.010 0.000 3.118 322 T HA 0.133 4.482 4.350 -0.001 0.000 0.260 322 T C 1.530 176.292 174.700 0.103 0.000 1.139 322 T CA 0.597 62.736 62.100 0.064 0.000 1.085 322 T CB -0.465 68.459 68.868 0.093 0.000 0.934 322 T HN 0.310 nan 8.240 nan 0.000 0.518 323 L N -0.889 120.359 121.223 0.041 0.000 4.937 323 L HA -0.167 4.173 4.340 -0.001 0.000 0.422 323 L C 0.388 177.301 176.870 0.071 0.000 1.059 323 L CA 0.658 55.519 54.840 0.035 0.000 1.111 323 L CB -1.982 40.130 42.059 0.088 0.000 2.033 323 L HN 0.493 nan 8.230 nan 0.000 0.708 324 E N 0.527 120.759 120.200 0.052 0.000 2.313 324 E HA 0.300 4.649 4.350 -0.001 0.000 0.276 324 E C -0.096 176.387 176.600 -0.195 0.000 1.031 324 E CA -0.718 55.569 56.400 -0.187 0.000 0.857 324 E CB 0.596 30.191 29.700 -0.175 0.000 1.040 324 E HN 0.080 nan 8.360 nan 0.000 0.408 325 F N 3.313 123.083 119.950 -0.301 0.000 2.578 325 F HA 0.041 4.568 4.527 -0.000 0.000 0.376 325 F C 1.737 177.423 175.800 -0.189 0.000 1.085 325 F CA 0.376 58.216 58.000 -0.267 0.000 1.260 325 F CB 0.564 39.393 39.000 -0.286 0.000 1.095 325 F HN 0.549 nan 8.300 nan 0.000 0.573 326 R N 1.412 121.887 120.500 -0.040 0.000 2.127 326 R HA -0.130 4.210 4.340 -0.001 0.000 0.238 326 R C 0.685 176.997 176.300 0.020 0.000 1.134 326 R CA 1.307 57.384 56.100 -0.039 0.000 0.975 326 R CB -0.035 30.214 30.300 -0.086 0.000 0.865 326 R HN 0.564 nan 8.270 nan 0.000 0.447 327 E N -0.834 119.424 120.200 0.098 0.000 2.558 327 E HA 0.237 4.587 4.350 -0.001 0.000 0.205 327 E C -0.719 175.969 176.600 0.147 0.000 1.006 327 E CA -0.020 56.450 56.400 0.117 0.000 0.961 327 E CB 1.744 31.532 29.700 0.146 0.000 1.044 327 E HN 0.193 nan 8.360 nan 0.000 0.465 328 A N 1.460 124.362 122.820 0.136 0.000 2.876 328 A HA 0.233 4.553 4.320 -0.001 0.000 0.309 328 A C -0.273 177.300 177.584 -0.019 0.000 1.168 328 A CA -0.590 51.482 52.037 0.059 0.000 0.762 328 A CB 0.340 19.381 19.000 0.068 0.000 1.262 328 A HN 0.039 nan 8.150 nan 0.000 0.435 329 E N 1.189 121.369 120.200 -0.032 0.000 2.452 329 E HA 0.333 4.682 4.350 -0.001 0.000 0.261 329 E C 1.355 177.900 176.600 -0.092 0.000 0.987 329 E CA 1.360 57.723 56.400 -0.061 0.000 0.926 329 E CB 0.270 29.955 29.700 -0.025 0.000 0.934 329 E HN 1.658 nan 8.360 nan 0.000 0.452 330 G N 3.263 111.962 108.800 -0.168 0.000 2.162 330 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.260 330 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.260 330 G C -0.273 174.532 174.900 -0.159 0.000 0.976 330 G CA 0.391 45.440 45.100 -0.085 0.000 0.655 330 G HN 0.460 nan 8.290 nan 0.000 0.533 331 L N 0.461 121.476 121.223 -0.347 0.000 2.329 331 L HA 0.873 5.213 4.340 -0.001 0.000 0.279 331 L C -0.602 176.103 176.870 -0.275 0.000 1.014 331 L CA -1.718 53.011 54.840 -0.186 0.000 0.814 331 L CB 1.025 42.965 42.059 -0.199 0.000 1.257 331 L HN 0.128 nan 8.230 nan 0.000 0.424 332 Y N 2.947 123.420 120.300 0.288 0.000 2.576 332 Y HA 0.837 5.387 4.550 -0.000 0.000 0.346 332 Y C -0.033 176.030 175.900 0.273 0.000 1.018 332 Y CA -0.783 57.462 58.100 0.241 0.000 1.050 332 Y CB 1.988 40.511 38.460 0.105 0.000 1.280 332 Y HN 0.703 nan 8.280 nan 0.000 0.474 333 A N 1.018 123.979 122.820 0.235 0.000 2.374 333 A HA 0.992 5.312 4.320 -0.001 0.000 0.317 333 A C -1.178 176.473 177.584 0.112 0.000 1.094 333 A CA -0.278 51.852 52.037 0.156 0.000 0.765 333 A CB 1.177 20.170 19.000 -0.013 0.000 1.268 333 A HN 1.055 nan 8.150 nan 0.000 0.438 334 A N 0.325 123.220 122.820 0.124 0.000 2.594 334 A HA 0.968 5.288 4.320 -0.001 0.000 0.291 334 A C 0.458 178.115 177.584 0.123 0.000 1.105 334 A CA 0.246 52.351 52.037 0.114 0.000 0.694 334 A CB 0.716 19.786 19.000 0.117 0.000 1.291 334 A HN 2.897 nan 8.150 nan 0.000 0.410 335 G N -0.898 107.976 108.800 0.124 0.000 2.593 335 G HA2 0.040 3.999 3.960 -0.001 0.000 0.237 335 G HA3 0.040 3.999 3.960 -0.001 0.000 0.237 335 G C 0.878 175.857 174.900 0.131 0.000 1.312 335 G CA 0.347 45.526 45.100 0.131 0.000 0.896 335 G HN 1.679 nan 8.290 nan 0.000 0.574 336 V N 0.242 120.237 119.914 0.135 0.000 2.392 336 V HA -0.185 3.934 4.120 -0.001 0.000 0.249 336 V C 2.979 179.186 176.094 0.187 0.000 1.059 336 V CA 2.773 65.159 62.300 0.142 0.000 1.051 336 V CB -0.722 31.184 31.823 0.138 0.000 0.658 336 V HN 0.767 nan 8.190 nan 0.000 0.455 337 L N 0.923 122.252 121.223 0.177 0.000 2.127 337 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 337 L C 2.250 179.225 176.870 0.175 0.000 1.089 337 L CA 2.363 57.313 54.840 0.184 0.000 0.757 337 L CB -0.680 41.471 42.059 0.154 0.000 0.899 337 L HN 0.245 nan 8.230 nan 0.000 0.434 338 A N -1.432 121.471 122.820 0.138 0.000 2.238 338 A HA 0.405 4.725 4.320 -0.001 0.000 0.208 338 A C 1.661 179.348 177.584 0.171 0.000 1.177 338 A CA 0.653 52.741 52.037 0.084 0.000 0.804 338 A CB -0.702 18.325 19.000 0.046 0.000 0.823 338 A HN 0.852 nan 8.150 nan 0.000 0.482 339 G N -1.407 107.549 108.800 0.260 0.000 2.148 339 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.203 339 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.203 339 G C 0.310 175.318 174.900 0.180 0.000 0.993 339 G CA 0.374 45.681 45.100 0.345 0.000 0.661 339 G HN 1.636 nan 8.290 nan 0.000 0.518 340 V N -2.255 117.735 119.914 0.125 0.000 3.211 340 V HA 0.994 5.114 4.120 -0.001 0.000 0.319 340 V C -0.138 175.991 176.094 0.059 0.000 1.096 340 V CA -0.537 61.814 62.300 0.085 0.000 1.029 340 V CB 2.029 33.908 31.823 0.094 0.000 1.137 340 V HN 0.627 nan 8.190 nan 0.000 0.453 341 E N 0.219 120.465 120.200 0.076 0.000 2.275 341 E HA 0.714 5.064 4.350 -0.001 0.000 0.270 341 E C -0.459 176.172 176.600 0.052 0.000 0.882 341 E CA 0.372 56.820 56.400 0.081 0.000 0.758 341 E CB 1.361 31.157 29.700 0.160 0.000 1.195 341 E HN 2.100 nan 8.360 nan 0.000 0.419 342 G N 2.702 111.469 108.800 -0.055 0.000 2.697 342 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.684 342 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.684 342 G C -0.225 174.625 174.900 -0.084 0.000 1.274 342 G CA -0.331 44.674 45.100 -0.157 0.000 0.806 342 G HN 0.370 nan 8.290 nan 0.000 0.644 343 Y N 1.006 121.303 120.300 -0.006 0.000 2.128 343 Y HA -0.050 4.500 4.550 -0.001 0.000 0.284 343 Y C 2.951 178.877 175.900 0.043 0.000 1.154 343 Y CA 2.015 60.124 58.100 0.014 0.000 1.149 343 Y CB -0.546 37.890 38.460 -0.039 0.000 0.976 343 Y HN 0.606 nan 8.280 nan 0.000 0.505 344 L N 0.465 121.793 121.223 0.176 0.000 2.027 344 L HA -0.142 4.198 4.340 -0.001 0.000 0.206 344 L C 1.934 178.858 176.870 0.090 0.000 1.074 344 L CA 1.802 56.711 54.840 0.115 0.000 0.745 344 L CB -0.671 41.423 42.059 0.058 0.000 0.898 344 L HN 0.056 nan 8.230 nan 0.000 0.433 345 E N -0.353 119.888 120.200 0.068 0.000 2.118 345 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 345 E C 2.230 178.891 176.600 0.100 0.000 0.992 345 E CA 1.548 57.989 56.400 0.068 0.000 0.804 345 E CB -0.302 29.436 29.700 0.062 0.000 0.741 345 E HN 0.494 nan 8.360 nan 0.000 0.458 346 S N 0.228 115.999 115.700 0.118 0.000 2.355 346 S HA -0.150 4.319 4.470 -0.001 0.000 0.222 346 S C 2.101 176.797 174.600 0.160 0.000 1.031 346 S CA 0.963 59.247 58.200 0.141 0.000 0.993 346 S CB -0.406 62.889 63.200 0.157 0.000 0.859 346 S HN 0.430 nan 8.310 nan 0.000 0.453 347 A N 1.641 124.566 122.820 0.174 0.000 1.908 347 A HA 0.022 4.342 4.320 -0.001 0.000 0.218 347 A C 2.341 180.045 177.584 0.200 0.000 1.181 347 A CA 1.863 54.011 52.037 0.185 0.000 0.627 347 A CB -1.097 18.014 19.000 0.185 0.000 0.818 347 A HN 0.523 nan 8.150 nan 0.000 0.445 348 A N -0.359 122.562 122.820 0.168 0.000 1.898 348 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 348 A C 2.438 180.176 177.584 0.257 0.000 1.181 348 A CA 2.456 54.611 52.037 0.196 0.000 0.620 348 A CB -1.388 17.668 19.000 0.094 0.000 0.819 348 A HN 0.782 nan 8.150 nan 0.000 0.442 349 T N -2.608 112.053 114.554 0.179 0.000 2.867 349 T HA 0.026 4.376 4.350 -0.001 0.000 0.268 349 T C 1.892 176.684 174.700 0.153 0.000 1.057 349 T CA 1.518 63.710 62.100 0.154 0.000 1.136 349 T CB -0.873 68.065 68.868 0.116 0.000 0.874 349 T HN 0.406 nan 8.240 nan 0.000 0.466 350 G N 0.793 109.696 108.800 0.172 0.000 2.440 350 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.218 350 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.218 350 G C 1.231 176.233 174.900 0.169 0.000 1.154 350 G CA 0.784 45.977 45.100 0.156 0.000 0.767 350 G HN 0.516 nan 8.290 nan 0.000 0.552 351 F N 1.119 121.140 119.950 0.118 0.000 2.091 351 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 351 F C 2.221 178.095 175.800 0.124 0.000 1.103 351 F CA 1.701 59.784 58.000 0.138 0.000 1.228 351 F CB -0.456 38.653 39.000 0.182 0.000 0.984 351 F HN 0.123 nan 8.300 nan 0.000 0.477 352 L N 0.853 122.013 121.223 -0.105 0.000 2.056 352 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 352 L C 2.489 179.242 176.870 -0.194 0.000 1.078 352 L CA 2.020 56.731 54.840 -0.215 0.000 0.749 352 L CB -1.464 40.625 42.059 0.050 0.000 0.901 352 L HN 0.214 nan 8.230 nan 0.000 0.433 353 A N -0.577 122.182 122.820 -0.102 0.000 1.902 353 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 353 A C 2.334 179.716 177.584 -0.338 0.000 1.181 353 A CA 1.549 53.489 52.037 -0.163 0.000 0.623 353 A CB -1.571 17.426 19.000 -0.006 0.000 0.818 353 A HN 0.515 nan 8.150 nan 0.000 0.443 354 G N -0.228 108.440 108.800 -0.218 0.000 2.418 354 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.217 354 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.217 354 G C 1.483 176.216 174.900 -0.278 0.000 1.158 354 G CA 1.199 46.171 45.100 -0.213 0.000 0.771 354 G HN 0.496 nan 8.290 nan 0.000 0.545 355 L N 1.260 122.270 121.223 -0.355 0.000 2.012 355 L HA -0.018 4.322 4.340 -0.001 0.000 0.210 355 L C 2.215 178.928 176.870 -0.262 0.000 1.073 355 L CA 1.958 56.593 54.840 -0.342 0.000 0.748 355 L CB -0.659 41.096 42.059 -0.507 0.000 0.891 355 L HN 0.081 nan 8.230 nan 0.000 0.431 356 N N -0.036 118.490 118.700 -0.292 0.000 2.216 356 N HA -0.064 4.676 4.740 -0.001 0.000 0.183 356 N C 1.812 177.110 175.510 -0.353 0.000 1.017 356 N CA 1.368 54.275 53.050 -0.238 0.000 0.861 356 N CB -0.362 38.059 38.487 -0.111 0.000 0.986 356 N HN 0.530 nan 8.380 nan 0.000 0.428 357 A N 1.035 123.448 122.820 -0.678 0.000 1.902 357 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 357 A C 2.363 179.840 177.584 -0.178 0.000 1.181 357 A CA 1.835 53.578 52.037 -0.490 0.000 0.623 357 A CB -0.745 17.956 19.000 -0.499 0.000 0.818 357 A HN 0.300 nan 8.150 nan 0.000 0.443 358 A N -0.104 122.606 122.820 -0.183 0.000 1.877 358 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 358 A C 2.240 179.774 177.584 -0.084 0.000 1.186 358 A CA 1.559 53.525 52.037 -0.118 0.000 0.620 358 A CB -0.480 18.441 19.000 -0.132 0.000 0.822 358 A HN 0.548 nan 8.150 nan 0.000 0.443 359 R N -0.743 119.703 120.500 -0.090 0.000 2.081 359 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 359 R C 2.284 178.575 176.300 -0.014 0.000 1.131 359 R CA 1.638 57.707 56.100 -0.052 0.000 0.960 359 R CB -0.242 30.027 30.300 -0.050 0.000 0.856 359 R HN 0.407 nan 8.270 nan 0.000 0.436 360 K N 1.019 121.426 120.400 0.012 0.000 2.063 360 K HA -0.102 4.217 4.320 -0.001 0.000 0.208 360 K C 1.871 178.492 176.600 0.035 0.000 1.048 360 K CA 1.731 58.054 56.287 0.059 0.000 0.928 360 K CB -0.398 32.193 32.500 0.151 0.000 0.713 360 K HN 0.178 nan 8.250 nan 0.000 0.442 361 A N 0.126 122.955 122.820 0.015 0.000 2.019 361 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 361 A C 1.910 179.492 177.584 -0.003 0.000 1.164 361 A CA 1.407 53.448 52.037 0.006 0.000 0.644 361 A CB -0.490 18.505 19.000 -0.009 0.000 0.805 361 A HN 0.323 nan 8.150 nan 0.000 0.449 362 L N -1.321 119.895 121.223 -0.012 0.000 2.592 362 L HA 0.229 4.569 4.340 -0.001 0.000 0.227 362 L C 1.515 178.380 176.870 -0.009 0.000 1.127 362 L CA 0.428 55.259 54.840 -0.016 0.000 0.884 362 L CB -0.134 41.908 42.059 -0.029 0.000 1.065 362 L HN 0.550 nan 8.230 nan 0.000 0.457 363 G N 0.866 109.667 108.800 0.001 0.000 2.147 363 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 363 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 363 G C -0.048 174.854 174.900 0.004 0.000 1.005 363 G CA -0.012 45.091 45.100 0.005 0.000 0.713 363 G HN 0.249 nan 8.290 nan 0.000 0.515 364 L N 0.733 121.958 121.223 0.003 0.000 2.334 364 L HA 0.598 4.938 4.340 -0.001 0.000 0.273 364 L C -1.674 175.204 176.870 0.014 0.000 1.013 364 L CA -2.573 52.267 54.840 -0.000 0.000 0.816 364 L CB 1.913 43.962 42.059 -0.016 0.000 1.278 364 L HN -0.082 nan 8.230 nan 0.000 0.431 365 P HA 0.225 nan 4.420 nan 0.000 0.274 365 P C -2.682 174.642 177.300 0.040 0.000 1.237 365 P CA -1.376 61.743 63.100 0.031 0.000 0.793 365 P CB -0.096 31.619 31.700 0.026 0.000 0.977 366 P HA 0.134 nan 4.420 nan 0.000 0.274 366 P C -0.508 176.847 177.300 0.092 0.000 1.246 366 P CA -0.134 63.015 63.100 0.081 0.000 0.795 366 P CB 0.631 32.403 31.700 0.120 0.000 1.006 367 V N -3.443 116.548 119.914 0.130 0.000 3.141 367 V HA 0.997 5.116 4.120 -0.001 0.000 0.312 367 V C -0.931 175.320 176.094 0.262 0.000 1.157 367 V CA -1.401 61.038 62.300 0.231 0.000 1.041 367 V CB 1.363 33.365 31.823 0.298 0.000 1.071 367 V HN 0.835 nan 8.190 nan 0.000 0.441 368 A N 1.775 124.757 122.820 0.269 0.000 2.547 368 A HA 0.948 5.268 4.320 -0.001 0.000 0.297 368 A C -3.213 174.119 177.584 -0.421 0.000 1.056 368 A CA -1.453 50.584 52.037 0.001 0.000 0.688 368 A CB 1.731 20.717 19.000 -0.023 0.000 1.282 368 A HN 0.753 nan 8.150 nan 0.000 0.400 369 P HA 0.398 nan 4.420 nan 0.000 0.272 369 P C -2.682 174.263 177.300 -0.592 0.000 1.240 369 P CA -1.176 61.010 63.100 -1.524 0.000 0.791 369 P CB -0.213 30.851 31.700 -1.058 0.000 0.978 370 P HA 0.077 nan 4.420 nan 0.000 0.274 370 P C 0.796 178.055 177.300 -0.068 0.000 1.246 370 P CA -0.181 62.836 63.100 -0.139 0.000 0.795 370 P CB 0.629 32.304 31.700 -0.041 0.000 1.006 371 E N 0.557 120.742 120.200 -0.025 0.000 2.209 371 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 371 E C 0.823 177.441 176.600 0.030 0.000 0.993 371 E CA 1.395 57.797 56.400 0.003 0.000 0.819 371 E CB -0.501 29.208 29.700 0.015 0.000 0.745 371 E HN 0.347 nan 8.360 nan 0.000 0.477 372 E N 1.382 121.606 120.200 0.040 0.000 2.274 372 E HA -0.045 4.304 4.350 -0.001 0.000 0.194 372 E C 0.982 177.629 176.600 0.078 0.000 0.996 372 E CA 0.913 57.354 56.400 0.068 0.000 0.840 372 E CB 0.111 29.853 29.700 0.070 0.000 0.772 372 E HN 0.405 nan 8.360 nan 0.000 0.491 376 G N 0.116 108.887 108.800 -0.050 0.000 2.418 376 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.217 376 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.217 376 G C 1.360 176.243 174.900 -0.028 0.000 1.158 376 G CA 0.905 45.960 45.100 -0.075 0.000 0.771 376 G HN 0.618 nan 8.290 nan 0.000 0.545 377 G N 0.685 109.479 108.800 -0.010 0.000 2.418 377 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 377 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 377 G C 1.736 176.658 174.900 0.037 0.000 1.158 377 G CA 1.061 46.172 45.100 0.018 0.000 0.771 377 G HN 0.393 nan 8.290 nan 0.000 0.545 378 L N 1.382 122.610 121.223 0.009 0.000 1.994 378 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 378 L C 3.050 179.974 176.870 0.090 0.000 1.071 378 L CA 2.291 57.150 54.840 0.031 0.000 0.745 378 L CB -0.593 41.467 42.059 0.002 0.000 0.892 378 L HN 0.214 nan 8.230 nan 0.000 0.431 379 V N -2.820 117.123 119.914 0.049 0.000 2.548 379 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 379 V C 2.510 178.619 176.094 0.024 0.000 1.055 379 V CA 1.468 63.791 62.300 0.039 0.000 1.065 379 V CB -0.946 30.886 31.823 0.016 0.000 0.681 379 V HN 0.443 nan 8.190 nan 0.000 0.462 380 R N -0.989 119.526 120.500 0.026 0.000 2.115 380 R HA -0.042 4.298 4.340 -0.001 0.000 0.230 380 R C 2.250 178.566 176.300 0.028 0.000 1.111 380 R CA 1.773 57.878 56.100 0.008 0.000 0.976 380 R CB -0.588 29.712 30.300 0.000 0.000 0.870 380 R HN 0.680 nan 8.270 nan 0.000 0.445 381 Y N 1.683 121.966 120.300 -0.029 0.000 2.145 381 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 381 Y C 1.935 177.831 175.900 -0.006 0.000 1.145 381 Y CA 1.465 59.558 58.100 -0.013 0.000 1.148 381 Y CB -0.194 38.266 38.460 0.001 0.000 0.981 381 Y HN -0.073 nan 8.280 nan 0.000 0.507 382 L N -0.219 121.085 121.223 0.134 0.000 2.043 382 L HA -0.295 4.044 4.340 -0.001 0.000 0.212 382 L C 2.665 179.388 176.870 -0.245 0.000 1.075 382 L CA 1.434 56.269 54.840 -0.009 0.000 0.752 382 L CB -0.944 41.133 42.059 0.031 0.000 0.891 382 L HN 0.386 nan 8.230 nan 0.000 0.432 383 A N -0.834 121.875 122.820 -0.185 0.000 2.072 383 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 383 A C 2.074 179.514 177.584 -0.239 0.000 1.156 383 A CA 1.593 53.502 52.037 -0.214 0.000 0.701 383 A CB -0.375 18.538 19.000 -0.144 0.000 0.816 383 A HN 0.506 nan 8.150 nan 0.000 0.458 384 T N -4.260 110.142 114.554 -0.254 0.000 3.058 384 T HA 0.609 4.959 4.350 -0.001 0.000 0.278 384 T C 0.691 175.203 174.700 -0.313 0.000 0.974 384 T CA 0.503 62.460 62.100 -0.238 0.000 0.893 384 T CB -0.225 68.546 68.868 -0.162 0.000 1.138 384 T HN 0.520 nan 8.240 nan 0.000 0.529 385 A N 2.166 124.697 122.820 -0.480 0.000 2.366 385 A HA 0.447 4.766 4.320 -0.001 0.000 0.250 385 A C 0.608 178.025 177.584 -0.279 0.000 1.099 385 A CA -0.519 51.187 52.037 -0.552 0.000 0.794 385 A CB -0.177 18.256 19.000 -0.945 0.000 1.056 385 A HN 0.403 nan 8.150 nan 0.000 0.499 386 N N 0.984 119.571 118.700 -0.189 0.000 2.374 386 N HA 0.017 4.757 4.740 -0.001 0.000 0.269 386 N C -1.534 173.973 175.510 -0.005 0.000 1.310 386 N CA -1.163 51.826 53.050 -0.102 0.000 0.877 386 N CB 0.833 39.262 38.487 -0.097 0.000 1.096 386 N HN 0.295 nan 8.380 nan 0.000 0.484 387 P HA 0.009 nan 4.420 nan 0.000 0.227 387 P C -0.440 176.926 177.300 0.111 0.000 1.161 387 P CA 0.634 63.742 63.100 0.012 0.000 0.788 387 P CB 0.379 32.051 31.700 -0.047 0.000 0.822 388 E N 1.000 121.244 120.200 0.075 0.000 2.166 388 E HA 0.287 4.637 4.350 -0.001 0.000 0.279 388 E C 1.243 177.908 176.600 0.109 0.000 1.095 388 E CA 0.245 56.694 56.400 0.082 0.000 0.888 388 E CB -0.563 29.166 29.700 0.048 0.000 1.041 388 E HN 0.246 nan 8.360 nan 0.000 0.414 389 G N 3.946 112.821 108.800 0.126 0.000 2.198 389 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.260 389 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.260 389 G C 0.120 175.121 174.900 0.168 0.000 1.025 389 G CA 0.133 45.310 45.100 0.127 0.000 0.769 389 G HN 0.527 nan 8.290 nan 0.000 0.507 390 F N 0.892 120.894 119.950 0.088 0.000 2.629 390 F HA 0.442 4.968 4.527 -0.001 0.000 0.377 390 F C 0.586 176.527 175.800 0.235 0.000 1.101 390 F CA 0.629 58.700 58.000 0.117 0.000 1.301 390 F CB 0.534 39.594 39.000 0.100 0.000 1.062 390 F HN 0.405 nan 8.300 nan 0.000 0.583 391 Q N 6.395 125.721 119.800 -0.790 0.000 2.451 391 Q HA 0.461 4.801 4.340 -0.001 0.000 0.281 391 Q C -2.364 173.014 176.000 -1.036 0.000 1.099 391 Q CA -2.001 53.403 55.803 -0.664 0.000 0.806 391 Q CB 1.989 30.556 28.738 -0.284 0.000 1.419 391 Q HN 0.413 nan 8.270 nan 0.000 0.427 395 A N 3.008 125.920 122.820 0.153 0.000 2.520 395 A HA 0.482 4.801 4.320 -0.001 0.000 0.245 395 A C -0.162 177.397 177.584 -0.040 0.000 1.072 395 A CA 0.543 52.563 52.037 -0.028 0.000 0.761 395 A CB -0.588 18.358 19.000 -0.088 0.000 1.004 395 A HN 1.023 nan 8.150 nan 0.000 0.499 396 N N 0.716 119.296 118.700 -0.201 0.000 2.961 396 N HA 0.074 4.814 4.740 -0.001 0.000 0.245 396 N C -0.281 175.104 175.510 -0.208 0.000 1.404 396 N CA -0.759 52.156 53.050 -0.225 0.000 0.880 396 N CB 0.408 38.806 38.487 -0.149 0.000 1.461 396 N HN 0.567 nan 8.380 nan 0.000 0.510 397 W N 0.175 121.478 121.300 0.006 0.000 2.525 397 W HA 0.169 4.829 4.660 -0.000 0.000 0.259 397 W C 2.139 178.654 176.519 -0.008 0.000 1.253 397 W CA 0.414 57.764 57.345 0.008 0.000 1.262 397 W CB 0.051 29.527 29.460 0.026 0.000 1.122 397 W HN 0.835 nan 8.180 nan 0.000 0.607 398 G N 0.382 109.274 108.800 0.153 0.000 2.509 398 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 398 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 398 G C 1.311 176.246 174.900 0.058 0.000 1.124 398 G CA 0.441 45.593 45.100 0.087 0.000 0.776 398 G HN 0.242 nan 8.290 nan 0.000 0.547 399 L N 0.350 121.587 121.223 0.023 0.000 2.395 399 L HA 0.145 4.484 4.340 -0.001 0.000 0.218 399 L C 1.164 178.075 176.870 0.068 0.000 1.130 399 L CA -0.065 54.780 54.840 0.010 0.000 0.826 399 L CB -0.198 41.824 42.059 -0.062 0.000 0.941 399 L HN 0.205 nan 8.230 nan 0.000 0.451 400 V N -4.535 115.450 119.914 0.117 0.000 2.994 400 V HA 0.599 4.719 4.120 -0.001 0.000 0.318 400 V C -2.558 173.605 176.094 0.114 0.000 1.085 400 V CA -2.548 59.827 62.300 0.125 0.000 0.998 400 V CB 1.064 32.998 31.823 0.184 0.000 1.063 400 V HN -0.175 nan 8.190 nan 0.000 0.447 401 P HA 0.346 nan 4.420 nan 0.000 0.270 401 P C -2.659 174.679 177.300 0.063 0.000 1.223 401 P CA -0.804 62.336 63.100 0.067 0.000 0.785 401 P CB -0.504 31.227 31.700 0.051 0.000 0.923 402 P HA 0.050 nan 4.420 nan 0.000 0.271 402 P C -0.812 176.492 177.300 0.007 0.000 1.233 402 P CA 0.090 63.206 63.100 0.027 0.000 0.789 402 P CB 0.308 32.025 31.700 0.029 0.000 0.951 403 V N 2.512 122.413 119.914 -0.021 0.000 2.333 403 V HA 0.122 4.242 4.120 -0.001 0.000 0.274 403 V C 0.571 176.653 176.094 -0.020 0.000 1.028 403 V CA -0.485 61.800 62.300 -0.025 0.000 0.851 403 V CB 0.498 32.289 31.823 -0.053 0.000 1.000 403 V HN 0.471 nan 8.190 nan 0.000 0.456 404 E N 3.152 123.348 120.200 -0.007 0.000 2.383 404 E HA 0.595 4.945 4.350 -0.001 0.000 0.264 404 E C 0.546 177.140 176.600 -0.010 0.000 1.050 404 E CA 0.534 56.931 56.400 -0.004 0.000 0.896 404 E CB 1.638 31.340 29.700 0.003 0.000 0.982 404 E HN 0.974 nan 8.360 nan 0.000 0.424 405 G N 1.366 110.160 108.800 -0.011 0.000 2.368 405 G HA2 0.116 4.076 3.960 -0.001 0.000 0.302 405 G HA3 0.116 4.076 3.960 -0.001 0.000 0.302 405 G C -1.014 173.876 174.900 -0.016 0.000 1.329 405 G CA -0.791 44.301 45.100 -0.013 0.000 0.935 405 G HN 0.493 nan 8.290 nan 0.000 0.590 409 K N -0.194 120.179 120.400 -0.046 0.000 2.063 409 K HA -0.113 4.206 4.320 -0.001 0.000 0.208 409 K C 2.411 178.957 176.600 -0.089 0.000 1.048 409 K CA 1.618 57.866 56.287 -0.064 0.000 0.928 409 K CB -0.002 32.478 32.500 -0.033 0.000 0.713 409 K HN 0.469 nan 8.250 nan 0.000 0.442 410 K N 1.477 121.842 120.400 -0.058 0.000 2.032 410 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 410 K C 1.766 178.313 176.600 -0.089 0.000 1.048 410 K CA 1.891 58.143 56.287 -0.058 0.000 0.927 410 K CB 0.083 32.565 32.500 -0.031 0.000 0.712 410 K HN 0.016 nan 8.250 nan 0.000 0.441 411 E N 0.639 120.793 120.200 -0.077 0.000 2.072 411 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 411 E C 1.892 178.424 176.600 -0.113 0.000 0.985 411 E CA 1.321 57.674 56.400 -0.078 0.000 0.801 411 E CB 0.078 29.746 29.700 -0.054 0.000 0.750 411 E HN 0.259 nan 8.360 nan 0.000 0.452 412 K N 0.306 120.625 120.400 -0.135 0.000 2.057 412 K HA -0.110 4.210 4.320 -0.001 0.000 0.207 412 K C 2.207 178.618 176.600 -0.316 0.000 1.049 412 K CA 1.197 57.377 56.287 -0.179 0.000 0.931 412 K CB -0.111 32.294 32.500 -0.159 0.000 0.714 412 K HN 0.018 nan 8.250 nan 0.000 0.440 413 R N 0.867 121.118 120.500 -0.415 0.000 2.075 413 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 413 R C 2.429 178.464 176.300 -0.442 0.000 1.126 413 R CA 1.403 57.054 56.100 -0.749 0.000 0.963 413 R CB -0.171 29.751 30.300 -0.630 0.000 0.858 413 R HN 0.282 nan 8.270 nan 0.000 0.435 414 Q N 0.441 120.119 119.800 -0.203 0.000 2.096 414 Q HA -0.062 4.278 4.340 -0.001 0.000 0.204 414 Q C 0.975 176.960 176.000 -0.025 0.000 0.982 414 Q CA 1.068 56.819 55.803 -0.086 0.000 0.850 414 Q CB -0.173 28.519 28.738 -0.077 0.000 0.901 414 Q HN 0.302 nan 8.270 nan 0.000 0.422 418 R N 0.995 121.697 120.500 0.337 0.000 2.081 418 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 418 R C 2.178 178.543 176.300 0.108 0.000 1.131 418 R CA 1.779 58.011 56.100 0.221 0.000 0.960 418 R CB -0.306 30.099 30.300 0.175 0.000 0.856 418 R HN 0.321 nan 8.270 nan 0.000 0.436 419 R N 0.370 120.926 120.500 0.093 0.000 2.081 419 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 419 R C 2.223 178.569 176.300 0.077 0.000 1.131 419 R CA 1.771 57.916 56.100 0.074 0.000 0.960 419 R CB -0.451 29.886 30.300 0.061 0.000 0.856 419 R HN 0.305 nan 8.270 nan 0.000 0.436 420 G N 1.094 109.940 108.800 0.077 0.000 2.402 420 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 420 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 420 G C 1.295 176.225 174.900 0.051 0.000 1.162 420 G CA 0.462 45.605 45.100 0.071 0.000 0.777 420 G HN 0.293 nan 8.290 nan 0.000 0.539 421 L N 0.771 121.971 121.223 -0.039 0.000 2.056 421 L HA 0.053 4.393 4.340 -0.001 0.000 0.207 421 L C 2.586 179.518 176.870 0.105 0.000 1.078 421 L CA 2.427 57.249 54.840 -0.030 0.000 0.749 421 L CB -0.576 41.373 42.059 -0.183 0.000 0.901 421 L HN 0.445 nan 8.230 nan 0.000 0.433 422 E N -0.630 119.624 120.200 0.089 0.000 2.077 422 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 422 E C 2.068 178.745 176.600 0.128 0.000 0.989 422 E CA 1.175 57.637 56.400 0.104 0.000 0.800 422 E CB -0.146 29.604 29.700 0.084 0.000 0.746 422 E HN 0.582 nan 8.360 nan 0.000 0.452 423 A N 0.552 123.452 122.820 0.133 0.000 1.902 423 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 423 A C 1.997 179.707 177.584 0.211 0.000 1.181 423 A CA 1.294 53.418 52.037 0.145 0.000 0.623 423 A CB -0.883 18.189 19.000 0.120 0.000 0.818 423 A HN 0.501 nan 8.150 nan 0.000 0.443 424 F N 0.633 120.640 119.950 0.095 0.000 2.134 424 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 424 F C 2.771 178.719 175.800 0.246 0.000 1.097 424 F CA 1.716 59.813 58.000 0.162 0.000 1.264 424 F CB -0.377 38.669 39.000 0.077 0.000 1.001 424 F HN 0.240 nan 8.300 nan 0.000 0.479 425 S N -0.085 115.757 115.700 0.237 0.000 2.368 425 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 425 S C 2.293 176.924 174.600 0.052 0.000 1.030 425 S CA 1.218 59.493 58.200 0.124 0.000 0.999 425 S CB -0.761 62.519 63.200 0.134 0.000 0.844 425 S HN 0.481 nan 8.310 nan 0.000 0.459 426 A N 0.102 122.973 122.820 0.085 0.000 1.933 426 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 426 A C 1.865 179.484 177.584 0.058 0.000 1.175 426 A CA 1.541 53.616 52.037 0.063 0.000 0.628 426 A CB -1.255 17.794 19.000 0.082 0.000 0.814 426 A HN 0.860 nan 8.150 nan 0.000 0.444 427 W N 0.738 121.969 121.300 -0.116 0.000 2.355 427 W HA -0.166 4.493 4.660 -0.001 0.000 0.309 427 W C 1.729 178.136 176.519 -0.187 0.000 1.206 427 W CA 1.916 59.170 57.345 -0.152 0.000 1.284 427 W CB -0.421 28.923 29.460 -0.194 0.000 1.145 427 W HN 0.246 nan 8.180 nan 0.000 0.502 428 L N 0.214 121.245 121.223 -0.321 0.000 2.042 428 L HA -0.286 4.054 4.340 -0.001 0.000 0.210 428 L C 2.567 179.240 176.870 -0.328 0.000 1.076 428 L CA 1.828 56.393 54.840 -0.459 0.000 0.749 428 L CB -1.166 40.749 42.059 -0.240 0.000 0.893 428 L HN -0.119 nan 8.230 nan 0.000 0.432 429 S N -0.242 115.346 115.700 -0.187 0.000 2.442 429 S HA -0.094 4.376 4.470 -0.001 0.000 0.236 429 S C 1.799 176.310 174.600 -0.149 0.000 1.007 429 S CA 1.073 59.198 58.200 -0.125 0.000 0.965 429 S CB -0.282 62.883 63.200 -0.059 0.000 0.773 429 S HN 0.624 nan 8.310 nan 0.000 0.504 430 G N 0.546 109.224 108.800 -0.205 0.000 2.880 430 G HA2 0.234 4.194 3.960 -0.001 0.000 0.209 430 G HA3 0.234 4.194 3.960 -0.001 0.000 0.209 430 G C 0.287 175.041 174.900 -0.244 0.000 1.157 430 G CA -0.281 44.707 45.100 -0.187 0.000 0.779 430 G HN 0.344 nan 8.290 nan 0.000 0.539 431 L N 1.321 122.337 121.223 -0.345 0.000 2.410 431 L HA 0.264 4.604 4.340 -0.001 0.000 0.273 431 L C -0.234 176.518 176.870 -0.195 0.000 1.152 431 L CA -0.434 54.207 54.840 -0.332 0.000 0.855 431 L CB 0.766 42.571 42.059 -0.424 0.000 1.129 431 L HN 0.004 nan 8.230 nan 0.000 0.463 432 N N 4.550 123.159 118.700 -0.153 0.000 2.480 432 N HA 0.396 5.136 4.740 -0.001 0.000 0.289 432 N C -2.575 172.881 175.510 -0.089 0.000 1.073 432 N CA -1.401 51.587 53.050 -0.104 0.000 0.885 432 N CB 1.893 40.332 38.487 -0.080 0.000 1.421 432 N HN 0.256 nan 8.380 nan 0.000 0.503 433 P HA 0.354 nan 4.420 nan 0.000 0.272 433 P C -2.745 174.498 177.300 -0.095 0.000 1.223 433 P CA -0.838 62.216 63.100 -0.077 0.000 0.784 433 P CB 0.307 31.968 31.700 -0.065 0.000 0.923 434 P HA 0.246 nan 4.420 nan 0.000 0.279 434 P C -0.302 176.959 177.300 -0.065 0.000 1.252 434 P CA -0.442 62.605 63.100 -0.089 0.000 0.811 434 P CB 0.868 32.526 31.700 -0.070 0.000 1.035 435 L N 3.190 124.384 121.223 -0.049 0.000 2.418 435 L HA 0.196 4.535 4.340 -0.001 0.000 0.274 435 L C -1.394 175.471 176.870 -0.009 0.000 1.135 435 L CA -1.347 53.488 54.840 -0.009 0.000 0.870 435 L CB -0.793 41.299 42.059 0.054 0.000 1.154 435 L HN 0.335 nan 8.230 nan 0.000 0.462 436 P HA 0.000 nan 4.420 nan 0.000 0.216 436 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 436 P CB 0.000 31.686 31.700 -0.023 0.000 0.726