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 2acv_1_B DATA FIRST_RESID 8 DATA SEQUENCE KNSELIFIPA PGIGHLASAL EFAKLLTNHD KNLYITVFCI KFPGMPFADS DATA SEQUENCE YIKSVLASQP QIQLIDLPEV EPPPQELLKS PEFYILTFLE SLIPHVKATI DATA SEQUENCE KTILSNKVVG LVLDFFCVSM IDVGNEFGIP SYLFLTSNVG FLSLMLSLKN DATA SEQUENCE RQIEEVFDDS DRDHQLLNIP GISNQVPSNV LPDACFNKDG GYIAYYKLAE DATA SEQUENCE RFRDTKGIIV NTFSDLEQSS IDALYDHDEK IPPIYAVGPL LDLKGQPNPK DATA SEQUENCE LDQAQHDLIL KWLDEQPDKS VVFLCFGSMG VSFGPSQIRE IALGLKHSGV DATA SEQUENCE RFLWSNSAEK KVFPEGFLEW MELEGKGMIC GWAPQVEVLA HKAIGGFVSH DATA SEQUENCE CGWNSILESM WFGVPILTWP IYAEQQLNAF RLVKEWGVGL GLRVDYRKGS DATA SEQUENCE DVVAAEEIEK GLKDLMDKDS IVHKKVQEMK EMSRNAVVDG GSSLISVGKL DATA SEQUENCE IDDITG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.621 176.600 0.035 0.000 0.988 8 K CA 0.000 56.300 56.287 0.021 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 N N 1.386 120.105 118.700 0.032 0.000 2.492 9 N HA 0.142 4.255 4.740 -1.046 0.000 0.260 9 N C -0.378 175.157 175.510 0.042 0.000 1.215 9 N CA 0.472 53.558 53.050 0.059 0.000 0.923 9 N CB 1.241 39.708 38.487 -0.033 0.000 1.092 9 N HN 0.013 nan 8.380 nan 0.000 0.448 10 S N 0.279 116.028 115.700 0.082 0.000 2.542 10 S HA 0.344 4.186 4.470 -1.046 0.000 0.293 10 S C -0.533 174.107 174.600 0.067 0.000 1.089 10 S CA -0.832 57.398 58.200 0.049 0.000 0.961 10 S CB 2.523 65.743 63.200 0.033 0.000 1.062 10 S HN 0.554 nan 8.310 nan 0.000 0.483 11 E N 1.997 122.216 120.200 0.031 0.000 2.234 11 E HA 0.562 4.285 4.350 -1.046 0.000 0.266 11 E C -1.655 174.948 176.600 0.006 0.000 0.877 11 E CA -0.489 55.927 56.400 0.026 0.000 0.758 11 E CB 0.995 30.697 29.700 0.003 0.000 1.170 11 E HN 0.487 nan 8.360 nan 0.000 0.415 12 L N 5.149 126.365 121.223 -0.012 0.000 2.346 12 L HA 0.550 4.262 4.340 -1.046 0.000 0.274 12 L C -0.458 176.413 176.870 0.002 0.000 1.007 12 L CA -0.946 53.904 54.840 0.017 0.000 0.818 12 L CB 1.749 43.843 42.059 0.059 0.000 1.284 12 L HN 0.553 nan 8.230 nan 0.000 0.424 13 I N 2.564 123.139 120.570 0.008 0.000 2.339 13 I HA 0.288 3.830 4.170 -1.046 0.000 0.290 13 I C -0.874 175.268 176.117 0.042 0.000 0.994 13 I CA -0.350 60.874 61.300 -0.126 0.000 1.191 13 I CB 1.214 38.994 38.000 -0.366 0.000 1.343 13 I HN 0.279 nan 8.210 nan 0.000 0.458 14 F N 6.855 126.650 119.950 -0.258 0.000 2.410 14 F HA 0.489 4.390 4.527 -1.044 0.000 0.349 14 F C 0.356 176.065 175.800 -0.153 0.000 1.117 14 F CA -1.000 56.908 58.000 -0.154 0.000 1.104 14 F CB 1.186 40.133 39.000 -0.087 0.000 1.122 14 F HN 0.212 nan 8.300 nan 0.000 0.483 15 I N 6.509 127.096 120.570 0.028 0.000 2.668 15 I HA 0.217 3.759 4.170 -1.046 0.000 0.276 15 I C -2.395 173.795 176.117 0.121 0.000 1.139 15 I CA -1.754 59.590 61.300 0.075 0.000 1.133 15 I CB 1.070 39.085 38.000 0.025 0.000 1.327 15 I HN 0.273 nan 8.210 nan 0.000 0.520 16 P HA 0.240 nan 4.420 nan 0.000 0.276 16 P C -0.209 177.209 177.300 0.197 0.000 1.261 16 P CA -0.288 62.945 63.100 0.221 0.000 0.800 16 P CB 1.225 33.106 31.700 0.303 0.000 1.066 17 A N 1.685 124.584 122.820 0.130 0.000 2.386 17 A HA 0.437 4.129 4.320 -1.046 0.000 0.248 17 A C -2.129 175.611 177.584 0.260 0.000 1.082 17 A CA -1.388 50.700 52.037 0.085 0.000 0.789 17 A CB -1.492 17.359 19.000 -0.249 0.000 1.025 17 A HN 0.397 nan 8.150 nan 0.000 0.490 18 P HA 0.377 nan 4.420 nan 0.000 0.266 18 P C 0.368 177.925 177.300 0.427 0.000 1.195 18 P CA 1.812 65.151 63.100 0.398 0.000 0.768 18 P CB 0.489 32.476 31.700 0.478 0.000 0.838 19 G N 2.112 111.082 108.800 0.283 0.000 2.576 19 G HA2 -0.058 3.274 3.960 -1.046 0.000 0.686 19 G HA3 -0.058 3.274 3.960 -1.046 0.000 0.686 19 G C 0.336 175.294 174.900 0.095 0.000 1.242 19 G CA -0.301 44.842 45.100 0.072 0.000 0.819 19 G HN 0.462 nan 8.290 nan 0.000 0.655 20 I N -0.341 120.207 120.570 -0.037 0.000 2.493 20 I HA 0.223 3.765 4.170 -1.046 0.000 0.254 20 I C 2.400 178.523 176.117 0.011 0.000 1.160 20 I CA 2.137 63.473 61.300 0.060 0.000 1.445 20 I CB -0.866 37.150 38.000 0.027 0.000 1.086 20 I HN 0.888 nan 8.210 nan 0.000 0.433 21 G N 0.514 109.278 108.800 -0.061 0.000 2.440 21 G HA2 -0.223 3.109 3.960 -1.046 0.000 0.218 21 G HA3 -0.223 3.109 3.960 -1.046 0.000 0.218 21 G C 1.601 176.482 174.900 -0.031 0.000 1.154 21 G CA 1.166 46.215 45.100 -0.085 0.000 0.767 21 G HN 0.537 nan 8.290 nan 0.000 0.552 22 H N -0.672 118.521 119.070 0.205 0.000 2.415 22 H HA 0.092 4.020 4.556 -1.046 0.000 0.297 22 H C 2.469 177.975 175.328 0.296 0.000 1.048 22 H CA 0.817 57.027 56.048 0.270 0.000 1.365 22 H CB -0.283 29.650 29.762 0.285 0.000 1.421 22 H HN 0.273 nan 8.280 nan 0.000 0.533 23 L N 1.318 122.770 121.223 0.382 0.000 2.131 23 L HA -0.068 3.644 4.340 -1.046 0.000 0.210 23 L C 2.409 179.512 176.870 0.388 0.000 1.092 23 L CA 1.622 56.681 54.840 0.364 0.000 0.759 23 L CB -0.758 41.510 42.059 0.349 0.000 0.903 23 L HN 0.153 nan 8.230 nan 0.000 0.435 24 A N -1.496 121.572 122.820 0.413 0.000 1.855 24 A HA -0.155 3.537 4.320 -1.046 0.000 0.215 24 A C 2.346 180.144 177.584 0.356 0.000 1.191 24 A CA 1.814 54.133 52.037 0.469 0.000 0.613 24 A CB -0.974 18.259 19.000 0.389 0.000 0.829 24 A HN 0.500 nan 8.150 nan 0.000 0.442 25 S N 0.288 116.198 115.700 0.350 0.000 2.383 25 S HA -0.091 3.751 4.470 -1.046 0.000 0.229 25 S C 2.233 177.110 174.600 0.461 0.000 1.030 25 S CA 1.281 59.721 58.200 0.399 0.000 1.002 25 S CB -0.491 62.971 63.200 0.438 0.000 0.829 25 S HN 0.796 nan 8.310 nan 0.000 0.467 26 A N 1.523 124.598 122.820 0.425 0.000 1.930 26 A HA 0.055 3.747 4.320 -1.046 0.000 0.217 26 A C 2.037 179.829 177.584 0.346 0.000 1.175 26 A CA 0.908 53.141 52.037 0.326 0.000 0.627 26 A CB -0.508 18.701 19.000 0.349 0.000 0.815 26 A HN 0.379 nan 8.150 nan 0.000 0.443 27 L N -0.325 121.060 121.223 0.269 0.000 2.093 27 L HA -0.095 3.617 4.340 -1.046 0.000 0.208 27 L C 2.472 179.420 176.870 0.130 0.000 1.085 27 L CA 1.455 56.385 54.840 0.150 0.000 0.755 27 L CB -1.230 40.898 42.059 0.114 0.000 0.904 27 L HN 0.406 nan 8.230 nan 0.000 0.435 28 E N -0.607 119.712 120.200 0.198 0.000 2.106 28 E HA -0.219 3.503 4.350 -1.046 0.000 0.192 28 E C 2.006 178.742 176.600 0.227 0.000 0.984 28 E CA 0.917 57.422 56.400 0.174 0.000 0.806 28 E CB -0.234 29.579 29.700 0.189 0.000 0.750 28 E HN 0.335 nan 8.360 nan 0.000 0.458 29 F N 1.348 121.372 119.950 0.124 0.000 2.163 29 F HA -0.022 3.878 4.527 -1.045 0.000 0.297 29 F C 2.146 178.006 175.800 0.100 0.000 1.094 29 F CA 1.119 59.187 58.000 0.113 0.000 1.290 29 F CB -0.516 38.468 39.000 -0.026 0.000 1.017 29 F HN -0.042 nan 8.300 nan 0.000 0.483 30 A N 0.373 123.169 122.820 -0.039 0.000 1.902 30 A HA -0.236 3.456 4.320 -1.046 0.000 0.217 30 A C 2.386 179.792 177.584 -0.296 0.000 1.181 30 A CA 1.873 53.673 52.037 -0.395 0.000 0.623 30 A CB -0.858 17.858 19.000 -0.473 0.000 0.818 30 A HN 0.443 nan 8.150 nan 0.000 0.443 31 K N -0.744 119.568 120.400 -0.146 0.000 2.057 31 K HA -0.137 3.555 4.320 -1.046 0.000 0.207 31 K C 1.941 178.484 176.600 -0.095 0.000 1.049 31 K CA 1.513 57.730 56.287 -0.117 0.000 0.931 31 K CB -0.294 32.173 32.500 -0.054 0.000 0.714 31 K HN 0.342 nan 8.250 nan 0.000 0.440 32 L N 1.705 122.910 121.223 -0.030 0.000 2.012 32 L HA -0.162 3.550 4.340 -1.046 0.000 0.210 32 L C 1.974 178.873 176.870 0.049 0.000 1.073 32 L CA 1.572 56.451 54.840 0.066 0.000 0.748 32 L CB -0.396 41.760 42.059 0.162 0.000 0.891 32 L HN 0.218 nan 8.230 nan 0.000 0.431 33 L N -1.058 120.060 121.223 -0.175 0.000 2.027 33 L HA -0.169 3.543 4.340 -1.046 0.000 0.206 33 L C 2.522 179.294 176.870 -0.164 0.000 1.074 33 L CA 1.711 56.430 54.840 -0.201 0.000 0.745 33 L CB -1.230 40.576 42.059 -0.421 0.000 0.898 33 L HN 0.472 nan 8.230 nan 0.000 0.433 34 T N -3.489 110.924 114.554 -0.235 0.000 2.833 34 T HA -0.125 3.597 4.350 -1.046 0.000 0.269 34 T C 1.660 176.225 174.700 -0.224 0.000 1.054 34 T CA 1.200 63.150 62.100 -0.250 0.000 1.135 34 T CB -0.429 68.258 68.868 -0.301 0.000 0.869 34 T HN 0.175 nan 8.240 nan 0.000 0.466 35 N N 1.604 120.169 118.700 -0.224 0.000 2.364 35 N HA -0.055 4.057 4.740 -1.046 0.000 0.183 35 N C 0.876 176.084 175.510 -0.504 0.000 1.022 35 N CA 0.983 53.831 53.050 -0.337 0.000 0.883 35 N CB -0.357 37.914 38.487 -0.360 0.000 0.965 35 N HN 0.685 nan 8.380 nan 0.000 0.438 36 H N -1.628 117.386 119.070 -0.093 0.000 2.505 36 H HA 0.292 4.220 4.556 -1.046 0.000 0.286 36 H C -0.762 174.522 175.328 -0.073 0.000 1.072 36 H CA -0.214 55.794 56.048 -0.067 0.000 1.141 36 H CB 0.596 30.330 29.762 -0.046 0.000 1.550 36 H HN -0.046 nan 8.280 nan 0.000 0.547 37 D N 0.181 120.548 120.400 -0.056 0.000 2.312 37 D HA 0.033 4.045 4.640 -1.046 0.000 0.229 37 D C 0.426 176.658 176.300 -0.114 0.000 1.337 37 D CA -0.364 53.601 54.000 -0.059 0.000 0.964 37 D CB 0.710 41.479 40.800 -0.051 0.000 1.456 37 D HN -0.138 nan 8.370 nan 0.000 0.547 38 K N 1.634 121.975 120.400 -0.098 0.000 2.280 38 K HA -0.037 3.655 4.320 -1.046 0.000 0.202 38 K C 0.638 177.172 176.600 -0.110 0.000 1.047 38 K CA 0.725 56.940 56.287 -0.121 0.000 0.942 38 K CB -0.006 32.450 32.500 -0.073 0.000 0.739 38 K HN 0.459 nan 8.250 nan 0.000 0.457 39 N N 0.384 119.059 118.700 -0.041 0.000 2.230 39 N HA 0.018 4.131 4.740 -1.046 0.000 0.202 39 N C -0.531 175.041 175.510 0.103 0.000 1.119 39 N CA -0.263 52.831 53.050 0.073 0.000 0.851 39 N CB 0.340 38.871 38.487 0.072 0.000 0.990 39 N HN -0.060 nan 8.380 nan 0.000 0.497 40 L N 1.172 122.352 121.223 -0.071 0.000 2.275 40 L HA 0.386 4.098 4.340 -1.046 0.000 0.288 40 L C -1.417 175.320 176.870 -0.221 0.000 1.046 40 L CA -0.671 54.130 54.840 -0.064 0.000 0.805 40 L CB 0.033 42.021 42.059 -0.118 0.000 1.193 40 L HN -0.026 nan 8.230 nan 0.000 0.426 41 Y N 5.213 125.443 120.300 -0.118 0.000 2.409 41 Y HA 0.649 4.571 4.550 -1.047 0.000 0.339 41 Y C -0.095 175.697 175.900 -0.180 0.000 1.033 41 Y CA -0.659 57.360 58.100 -0.135 0.000 1.094 41 Y CB 1.728 40.130 38.460 -0.096 0.000 1.210 41 Y HN 0.413 nan 8.280 nan 0.000 0.456 42 I N 2.020 122.513 120.570 -0.129 0.000 2.545 42 I HA 0.383 3.925 4.170 -1.046 0.000 0.292 42 I C -0.744 175.264 176.117 -0.182 0.000 1.040 42 I CA -0.615 60.520 61.300 -0.275 0.000 1.068 42 I CB 2.259 39.879 38.000 -0.633 0.000 1.251 42 I HN 0.519 nan 8.210 nan 0.000 0.424 43 T N 5.292 119.768 114.554 -0.129 0.000 2.786 43 T HA 0.429 4.151 4.350 -1.046 0.000 0.283 43 T C -0.344 174.363 174.700 0.013 0.000 0.992 43 T CA -0.419 61.678 62.100 -0.004 0.000 0.954 43 T CB 1.516 70.442 68.868 0.097 0.000 0.934 43 T HN 0.177 nan 8.240 nan 0.000 0.440 44 V N 4.930 124.895 119.914 0.084 0.000 2.347 44 V HA 0.424 3.916 4.120 -1.046 0.000 0.280 44 V C -0.445 175.875 176.094 0.375 0.000 1.021 44 V CA -0.971 61.434 62.300 0.176 0.000 0.847 44 V CB 0.407 32.301 31.823 0.119 0.000 0.990 44 V HN 0.691 nan 8.190 nan 0.000 0.444 45 F N 3.372 123.384 119.950 0.103 0.000 2.445 45 F HA 0.306 4.205 4.527 -1.047 0.000 0.359 45 F C 0.628 176.488 175.800 0.100 0.000 1.101 45 F CA -1.054 56.994 58.000 0.080 0.000 1.177 45 F CB 0.831 39.875 39.000 0.072 0.000 1.110 45 F HN 0.497 nan 8.300 nan 0.000 0.522 46 C N 6.960 126.396 119.300 0.228 0.000 2.255 46 C HA 0.652 4.484 4.460 -1.046 0.000 0.326 46 C C -0.318 174.761 174.990 0.149 0.000 1.258 46 C CA -0.685 58.446 59.018 0.187 0.000 1.676 46 C CB -1.226 26.604 27.740 0.151 0.000 2.314 46 C HN 0.473 nan 8.230 nan 0.000 0.509 47 I N 6.148 126.828 120.570 0.183 0.000 2.355 47 I HA 0.337 3.879 4.170 -1.046 0.000 0.288 47 I C -0.039 176.225 176.117 0.244 0.000 0.999 47 I CA -0.509 60.895 61.300 0.173 0.000 1.163 47 I CB 1.239 39.332 38.000 0.156 0.000 1.316 47 I HN 0.599 nan 8.210 nan 0.000 0.454 48 K N 5.635 126.176 120.400 0.235 0.000 2.312 48 K HA 0.241 3.933 4.320 -1.046 0.000 0.287 48 K C -0.362 176.419 176.600 0.302 0.000 1.062 48 K CA -0.280 56.159 56.287 0.253 0.000 0.934 48 K CB 0.137 32.752 32.500 0.193 0.000 1.027 48 K HN 0.284 nan 8.250 nan 0.000 0.478 49 F N 4.983 124.993 119.950 0.101 0.000 2.607 49 F HA 0.110 4.009 4.527 -1.047 0.000 0.374 49 F C -1.646 174.062 175.800 -0.154 0.000 1.104 49 F CA -1.975 55.995 58.000 -0.050 0.000 1.296 49 F CB 0.284 39.236 39.000 -0.080 0.000 1.085 49 F HN 0.507 nan 8.300 nan 0.000 0.584 50 P HA 0.096 nan 4.420 nan 0.000 0.247 50 P C 0.455 177.810 177.300 0.092 0.000 1.141 50 P CA 1.877 64.766 63.100 -0.352 0.000 0.858 50 P CB -0.214 31.090 31.700 -0.659 0.000 0.804 51 G N 3.384 112.246 108.800 0.102 0.000 4.731 51 G HA2 -0.263 3.070 3.960 -1.046 0.000 0.266 51 G HA3 -0.263 3.070 3.960 -1.046 0.000 0.266 51 G C 0.182 175.180 174.900 0.164 0.000 1.635 51 G CA -0.192 44.986 45.100 0.130 0.000 1.229 51 G HN 0.471 nan 8.290 nan 0.000 0.663 52 M N 2.806 122.525 119.600 0.199 0.000 2.226 52 M HA 0.108 3.960 4.480 -1.046 0.000 0.352 52 M C -1.087 175.422 176.300 0.348 0.000 1.226 52 M CA 0.154 55.604 55.300 0.250 0.000 0.943 52 M CB 0.149 32.800 32.600 0.086 0.000 1.805 52 M HN 0.311 nan 8.290 nan 0.000 0.465 53 P HA 0.050 nan 4.420 nan 0.000 0.201 53 P C 0.019 177.594 177.300 0.458 0.000 1.038 53 P CA 0.566 63.828 63.100 0.270 0.000 0.756 53 P CB 0.134 31.855 31.700 0.035 0.000 0.626 54 F N -2.972 116.989 119.950 0.017 0.000 3.100 54 F HA -0.270 3.631 4.527 -1.044 0.000 0.284 54 F C 1.553 177.395 175.800 0.070 0.000 0.875 54 F CA 0.035 58.055 58.000 0.034 0.000 1.039 54 F CB -2.620 36.398 39.000 0.029 0.000 1.111 54 F HN 0.006 nan 8.300 nan 0.000 0.575 55 A N 0.255 123.187 122.820 0.185 0.000 2.007 55 A HA -0.225 3.467 4.320 -1.046 0.000 0.214 55 A C 1.549 179.214 177.584 0.134 0.000 1.302 55 A CA 2.474 54.594 52.037 0.139 0.000 0.770 55 A CB -0.675 18.373 19.000 0.080 0.000 0.831 55 A HN 0.477 nan 8.150 nan 0.000 0.491 56 D N -2.738 117.718 120.400 0.092 0.000 2.673 56 D HA 0.296 4.308 4.640 -1.046 0.000 0.278 56 D C 0.997 177.333 176.300 0.061 0.000 1.393 56 D CA 0.542 54.590 54.000 0.080 0.000 0.805 56 D CB 0.743 41.573 40.800 0.049 0.000 1.110 56 D HN 0.264 nan 8.370 nan 0.000 0.476 57 S N -0.362 115.381 115.700 0.071 0.000 2.345 57 S HA -0.190 3.652 4.470 -1.046 0.000 0.219 57 S C 1.741 176.393 174.600 0.087 0.000 1.031 57 S CA 0.846 59.073 58.200 0.045 0.000 0.984 57 S CB -0.118 63.082 63.200 -0.001 0.000 0.874 57 S HN 0.437 nan 8.310 nan 0.000 0.451 58 Y N 1.374 121.691 120.300 0.028 0.000 2.457 58 Y HA 0.097 4.020 4.550 -1.046 0.000 0.292 58 Y C 1.459 177.395 175.900 0.060 0.000 1.125 58 Y CA 0.386 58.515 58.100 0.049 0.000 1.254 58 Y CB -0.360 38.156 38.460 0.093 0.000 1.012 58 Y HN 0.238 nan 8.280 nan 0.000 0.555 59 I N 0.909 121.489 120.570 0.016 0.000 2.036 59 I HA -0.350 3.192 4.170 -1.046 0.000 0.231 59 I C 2.338 178.381 176.117 -0.123 0.000 1.044 59 I CA 1.799 63.072 61.300 -0.044 0.000 1.315 59 I CB -0.916 37.109 38.000 0.043 0.000 1.051 59 I HN -0.016 nan 8.210 nan 0.000 0.391 60 K N 0.097 120.456 120.400 -0.067 0.000 2.281 60 K HA -0.173 3.520 4.320 -1.046 0.000 0.203 60 K C 2.345 178.882 176.600 -0.105 0.000 1.046 60 K CA 1.410 57.654 56.287 -0.072 0.000 0.938 60 K CB -0.332 32.144 32.500 -0.040 0.000 0.737 60 K HN 0.316 nan 8.250 nan 0.000 0.458 61 S N 1.065 116.685 115.700 -0.134 0.000 2.359 61 S HA -0.130 3.712 4.470 -1.046 0.000 0.223 61 S C 1.673 176.156 174.600 -0.195 0.000 1.039 61 S CA 1.747 59.861 58.200 -0.143 0.000 1.042 61 S CB -0.075 63.050 63.200 -0.125 0.000 0.915 61 S HN 0.236 nan 8.310 nan 0.000 0.439 62 V N 0.416 120.117 119.914 -0.355 0.000 3.249 62 V HA 0.427 3.919 4.120 -1.046 0.000 0.338 62 V C 1.472 177.453 176.094 -0.189 0.000 1.363 62 V CA 0.213 62.341 62.300 -0.286 0.000 1.205 62 V CB -0.075 31.490 31.823 -0.430 0.000 1.164 62 V HN 0.417 nan 8.190 nan 0.000 0.458 63 L N 1.949 123.080 121.223 -0.153 0.000 2.044 63 L HA 0.439 4.151 4.340 -1.046 0.000 0.205 63 L C 1.967 178.786 176.870 -0.085 0.000 1.075 63 L CA 2.230 57.007 54.840 -0.105 0.000 0.747 63 L CB -0.565 41.445 42.059 -0.082 0.000 0.903 63 L HN 0.678 nan 8.230 nan 0.000 0.435 64 A N -0.877 121.898 122.820 -0.075 0.000 2.860 64 A HA -0.263 3.429 4.320 -1.046 0.000 0.267 64 A C 1.074 178.623 177.584 -0.058 0.000 1.421 64 A CA 1.039 53.040 52.037 -0.061 0.000 0.831 64 A CB -2.530 16.434 19.000 -0.060 0.000 1.041 64 A HN 1.345 nan 8.150 nan 0.000 0.623 65 S N -1.100 114.566 115.700 -0.056 0.000 3.292 65 S HA -0.201 3.641 4.470 -1.046 0.000 0.360 65 S C 0.109 174.674 174.600 -0.058 0.000 0.930 65 S CA 1.274 59.444 58.200 -0.050 0.000 1.317 65 S CB -0.971 62.205 63.200 -0.039 0.000 0.920 65 S HN 0.955 nan 8.310 nan 0.000 0.540 66 Q N 2.273 122.030 119.800 -0.072 0.000 2.337 66 Q HA 0.204 3.916 4.340 -1.046 0.000 0.255 66 Q C -1.458 174.489 176.000 -0.088 0.000 0.997 66 Q CA -1.781 53.966 55.803 -0.093 0.000 0.925 66 Q CB 1.075 29.743 28.738 -0.116 0.000 1.212 66 Q HN 0.385 nan 8.270 nan 0.000 0.436 67 P HA -0.154 nan 4.420 nan 0.000 0.218 67 P C 0.609 177.870 177.300 -0.066 0.000 1.148 67 P CA 1.331 64.401 63.100 -0.049 0.000 0.822 67 P CB 0.381 32.056 31.700 -0.042 0.000 0.784 68 Q N -1.196 118.467 119.800 -0.228 0.000 2.403 68 Q HA 0.167 3.879 4.340 -1.046 0.000 0.203 68 Q C 0.252 176.106 176.000 -0.243 0.000 0.932 68 Q CA 0.194 55.730 55.803 -0.446 0.000 0.945 68 Q CB 0.106 28.456 28.738 -0.647 0.000 1.045 68 Q HN 0.321 nan 8.270 nan 0.000 0.511 69 I N 0.690 121.170 120.570 -0.149 0.000 2.466 69 I HA 0.275 3.817 4.170 -1.046 0.000 0.289 69 I C -0.623 175.456 176.117 -0.064 0.000 1.026 69 I CA -0.751 60.465 61.300 -0.139 0.000 1.078 69 I CB 1.976 39.870 38.000 -0.178 0.000 1.249 69 I HN -0.040 nan 8.210 nan 0.000 0.429 70 Q N 5.933 125.709 119.800 -0.040 0.000 2.394 70 Q HA 0.542 4.254 4.340 -1.046 0.000 0.273 70 Q C -2.041 173.970 176.000 0.017 0.000 1.089 70 Q CA -0.751 55.052 55.803 0.000 0.000 0.812 70 Q CB 3.032 31.787 28.738 0.027 0.000 1.353 70 Q HN 0.505 nan 8.270 nan 0.000 0.438 71 L N 4.668 125.909 121.223 0.030 0.000 2.329 71 L HA 0.563 4.275 4.340 -1.046 0.000 0.279 71 L C -1.422 175.482 176.870 0.057 0.000 1.014 71 L CA -0.718 54.158 54.840 0.060 0.000 0.814 71 L CB 1.680 43.767 42.059 0.047 0.000 1.257 71 L HN 0.726 nan 8.230 nan 0.000 0.424 72 I N 3.988 124.605 120.570 0.079 0.000 2.447 72 I HA 0.282 3.824 4.170 -1.046 0.000 0.287 72 I C -0.657 175.438 176.117 -0.037 0.000 1.023 72 I CA -0.697 60.600 61.300 -0.006 0.000 1.083 72 I CB 1.924 39.879 38.000 -0.075 0.000 1.245 72 I HN 0.429 nan 8.210 nan 0.000 0.434 73 D N 6.203 126.575 120.400 -0.048 0.000 2.277 73 D HA 0.397 4.409 4.640 -1.046 0.000 0.249 73 D C -0.122 176.108 176.300 -0.117 0.000 1.134 73 D CA -0.335 53.639 54.000 -0.043 0.000 0.863 73 D CB 1.812 42.603 40.800 -0.014 0.000 1.143 73 D HN 0.100 nan 8.370 nan 0.000 0.458 74 L N 4.127 125.270 121.223 -0.133 0.000 2.350 74 L HA 0.340 4.052 4.340 -1.046 0.000 0.275 74 L C -1.880 174.857 176.870 -0.222 0.000 1.099 74 L CA -1.562 53.148 54.840 -0.216 0.000 0.808 74 L CB 0.046 41.984 42.059 -0.202 0.000 1.149 74 L HN 0.148 nan 8.230 nan 0.000 0.442 75 P HA 0.053 nan 4.420 nan 0.000 0.267 75 P C -0.719 176.419 177.300 -0.270 0.000 1.201 75 P CA -0.133 62.772 63.100 -0.325 0.000 0.775 75 P CB 0.411 31.833 31.700 -0.464 0.000 0.854 76 E N 0.180 120.319 120.200 -0.101 0.000 2.313 76 E HA 0.355 4.077 4.350 -1.046 0.000 0.272 76 E C -0.292 176.328 176.600 0.034 0.000 1.038 76 E CA -0.777 55.626 56.400 0.005 0.000 0.863 76 E CB 0.989 30.722 29.700 0.055 0.000 1.060 76 E HN 0.261 nan 8.360 nan 0.000 0.402 77 V N -1.064 118.916 119.914 0.110 0.000 3.001 77 V HA 0.369 3.861 4.120 -1.046 0.000 0.314 77 V C -0.212 175.967 176.094 0.142 0.000 1.099 77 V CA -1.189 61.187 62.300 0.126 0.000 0.989 77 V CB 1.948 33.847 31.823 0.127 0.000 1.040 77 V HN 0.465 nan 8.190 nan 0.000 0.434 78 E N 3.800 124.058 120.200 0.096 0.000 2.585 78 E HA 0.171 3.893 4.350 -1.046 0.000 0.252 78 E C -2.175 174.476 176.600 0.086 0.000 0.981 78 E CA -0.742 55.703 56.400 0.074 0.000 0.943 78 E CB 0.275 30.005 29.700 0.049 0.000 0.923 78 E HN 0.730 nan 8.360 nan 0.000 0.486 79 P HA 0.185 nan 4.420 nan 0.000 0.274 79 P C -2.320 174.949 177.300 -0.051 0.000 1.246 79 P CA -1.109 61.966 63.100 -0.041 0.000 0.795 79 P CB -0.101 31.514 31.700 -0.142 0.000 1.006 80 P HA 0.172 nan 4.420 nan 0.000 0.271 80 P C -2.280 175.041 177.300 0.036 0.000 1.244 80 P CA -1.280 61.745 63.100 -0.125 0.000 0.793 80 P CB -1.219 30.286 31.700 -0.325 0.000 0.984 81 P HA 0.040 nan 4.420 nan 0.000 0.268 81 P C 0.906 178.329 177.300 0.206 0.000 1.205 81 P CA 0.072 63.246 63.100 0.123 0.000 0.771 81 P CB 0.645 32.402 31.700 0.096 0.000 0.858 82 Q N 1.748 121.641 119.800 0.155 0.000 2.234 82 Q HA -0.211 3.501 4.340 -1.046 0.000 0.206 82 Q C 1.799 177.852 176.000 0.088 0.000 0.980 82 Q CA 1.518 57.386 55.803 0.108 0.000 0.869 82 Q CB -0.222 28.543 28.738 0.044 0.000 0.912 82 Q HN 0.657 nan 8.270 nan 0.000 0.436 83 E N 0.492 120.753 120.200 0.100 0.000 2.209 83 E HA -0.155 3.567 4.350 -1.046 0.000 0.196 83 E C 1.713 178.386 176.600 0.121 0.000 0.993 83 E CA 0.482 56.934 56.400 0.087 0.000 0.819 83 E CB -0.000 29.747 29.700 0.079 0.000 0.745 83 E HN 0.338 nan 8.360 nan 0.000 0.477 84 L N 0.641 121.989 121.223 0.208 0.000 2.465 84 L HA -0.078 3.635 4.340 -1.046 0.000 0.224 84 L C 2.041 179.069 176.870 0.264 0.000 1.145 84 L CA 0.135 55.158 54.840 0.305 0.000 0.834 84 L CB -0.165 42.155 42.059 0.435 0.000 0.944 84 L HN 0.248 nan 8.230 nan 0.000 0.451 85 L N -0.061 121.223 121.223 0.101 0.000 2.549 85 L HA -0.164 3.548 4.340 -1.046 0.000 0.230 85 L C 2.168 179.040 176.870 0.003 0.000 1.162 85 L CA 0.768 55.565 54.840 -0.071 0.000 0.834 85 L CB -0.409 41.526 42.059 -0.207 0.000 0.947 85 L HN 0.293 nan 8.230 nan 0.000 0.452 86 K N -0.742 119.689 120.400 0.052 0.000 2.360 86 K HA -0.064 3.629 4.320 -1.046 0.000 0.201 86 K C 0.830 177.466 176.600 0.061 0.000 1.046 86 K CA 0.524 56.836 56.287 0.041 0.000 0.945 86 K CB 0.013 32.536 32.500 0.038 0.000 0.750 86 K HN 0.071 nan 8.250 nan 0.000 0.464 87 S N 0.158 115.924 115.700 0.110 0.000 2.721 87 S HA 0.267 4.109 4.470 -1.046 0.000 0.264 87 S C -2.402 172.312 174.600 0.189 0.000 1.161 87 S CA -1.625 56.663 58.200 0.146 0.000 1.113 87 S CB 1.324 64.631 63.200 0.177 0.000 1.079 87 S HN -0.203 nan 8.310 nan 0.000 0.479 88 P HA -0.117 nan 4.420 nan 0.000 0.215 88 P C 1.015 178.417 177.300 0.169 0.000 1.157 88 P CA 1.258 64.429 63.100 0.120 0.000 0.874 88 P CB 0.229 31.977 31.700 0.081 0.000 0.790 89 E N -1.398 118.921 120.200 0.199 0.000 2.058 89 E HA -0.191 3.531 4.350 -1.046 0.000 0.194 89 E C 1.775 178.520 176.600 0.242 0.000 0.997 89 E CA 1.146 57.695 56.400 0.249 0.000 0.801 89 E CB -1.218 28.705 29.700 0.371 0.000 0.746 89 E HN 0.203 nan 8.360 nan 0.000 0.450 90 F N -0.359 119.678 119.950 0.145 0.000 2.216 90 F HA -0.188 3.707 4.527 -1.053 0.000 0.300 90 F C 2.123 177.992 175.800 0.116 0.000 1.085 90 F CA 1.153 59.231 58.000 0.129 0.000 1.326 90 F CB -0.292 38.779 39.000 0.118 0.000 1.027 90 F HN 0.088 nan 8.300 nan 0.000 0.497 91 Y N 0.447 120.784 120.300 0.061 0.000 2.114 91 Y HA -0.239 3.682 4.550 -1.048 0.000 0.284 91 Y C 2.239 178.061 175.900 -0.130 0.000 1.143 91 Y CA 1.901 59.976 58.100 -0.042 0.000 1.135 91 Y CB -0.415 38.042 38.460 -0.005 0.000 0.980 91 Y HN -0.032 nan 8.280 nan 0.000 0.499 92 I N 0.325 120.891 120.570 -0.006 0.000 2.226 92 I HA -0.313 3.229 4.170 -1.046 0.000 0.245 92 I C 2.586 178.607 176.117 -0.160 0.000 1.100 92 I CA 1.350 62.562 61.300 -0.147 0.000 1.374 92 I CB -1.538 36.232 38.000 -0.383 0.000 1.057 92 I HN 0.408 nan 8.210 nan 0.000 0.413 93 L N 0.423 121.548 121.223 -0.163 0.000 2.017 93 L HA -0.245 3.467 4.340 -1.046 0.000 0.208 93 L C 2.578 179.309 176.870 -0.232 0.000 1.073 93 L CA 1.751 56.514 54.840 -0.128 0.000 0.745 93 L CB -0.366 41.642 42.059 -0.085 0.000 0.894 93 L HN 0.243 nan 8.230 nan 0.000 0.432 94 T N -0.176 114.143 114.554 -0.391 0.000 2.720 94 T HA -0.249 3.473 4.350 -1.046 0.000 0.268 94 T C 1.504 176.062 174.700 -0.235 0.000 1.037 94 T CA 1.713 63.584 62.100 -0.382 0.000 1.144 94 T CB -0.463 68.115 68.868 -0.484 0.000 0.864 94 T HN 0.341 nan 8.240 nan 0.000 0.444 95 F N 2.017 121.710 119.950 -0.428 0.000 2.046 95 F HA -0.059 3.839 4.527 -1.048 0.000 0.297 95 F C 1.974 177.640 175.800 -0.224 0.000 1.123 95 F CA 1.123 58.896 58.000 -0.379 0.000 1.199 95 F CB -0.805 37.890 39.000 -0.508 0.000 0.972 95 F HN 0.048 nan 8.300 nan 0.000 0.474 96 L N 0.090 121.104 121.223 -0.349 0.000 2.079 96 L HA -0.225 3.487 4.340 -1.046 0.000 0.210 96 L C 2.409 179.128 176.870 -0.252 0.000 1.081 96 L CA 1.765 56.392 54.840 -0.355 0.000 0.752 96 L CB -0.843 41.135 42.059 -0.135 0.000 0.896 96 L HN 0.241 nan 8.230 nan 0.000 0.433 97 E N -0.119 119.968 120.200 -0.188 0.000 2.153 97 E HA -0.181 3.542 4.350 -1.046 0.000 0.194 97 E C 2.211 178.727 176.600 -0.139 0.000 0.988 97 E CA 1.463 57.784 56.400 -0.133 0.000 0.811 97 E CB -0.084 29.548 29.700 -0.114 0.000 0.746 97 E HN 0.543 nan 8.360 nan 0.000 0.466 98 S N 0.429 116.020 115.700 -0.183 0.000 2.555 98 S HA -0.014 3.829 4.470 -1.046 0.000 0.230 98 S C 1.677 176.184 174.600 -0.154 0.000 0.978 98 S CA 0.306 58.417 58.200 -0.148 0.000 0.934 98 S CB 0.098 63.222 63.200 -0.126 0.000 0.766 98 S HN 0.096 nan 8.310 nan 0.000 0.533 99 L N 1.106 122.202 121.223 -0.210 0.000 2.592 99 L HA 0.302 4.014 4.340 -1.046 0.000 0.227 99 L C 1.770 178.615 176.870 -0.041 0.000 1.127 99 L CA 0.294 55.052 54.840 -0.138 0.000 0.884 99 L CB -0.832 41.074 42.059 -0.255 0.000 1.065 99 L HN 0.299 nan 8.230 nan 0.000 0.457 100 I N 1.418 121.956 120.570 -0.053 0.000 2.118 100 I HA -0.220 3.322 4.170 -1.046 0.000 0.241 100 I C 0.069 176.189 176.117 0.005 0.000 1.070 100 I CA 1.710 63.006 61.300 -0.006 0.000 1.327 100 I CB -2.349 35.641 38.000 -0.017 0.000 1.034 100 I HN 0.154 nan 8.210 nan 0.000 0.405 101 P HA -0.169 nan 4.420 nan 0.000 0.215 101 P C 1.801 179.049 177.300 -0.088 0.000 1.157 101 P CA 1.617 64.655 63.100 -0.103 0.000 0.874 101 P CB -0.197 31.378 31.700 -0.209 0.000 0.790 102 H N -1.183 117.878 119.070 -0.014 0.000 2.357 102 H HA -0.038 3.890 4.556 -1.047 0.000 0.301 102 H C 2.024 177.345 175.328 -0.011 0.000 1.082 102 H CA 1.073 57.103 56.048 -0.029 0.000 1.342 102 H CB -0.937 28.788 29.762 -0.061 0.000 1.389 102 H HN -0.056 nan 8.280 nan 0.000 0.511 103 V N 1.229 121.238 119.914 0.158 0.000 2.343 103 V HA -0.241 3.252 4.120 -1.046 0.000 0.247 103 V C 2.633 178.870 176.094 0.239 0.000 1.051 103 V CA 1.934 64.365 62.300 0.218 0.000 1.036 103 V CB -0.391 31.565 31.823 0.221 0.000 0.654 103 V HN 0.327 nan 8.190 nan 0.000 0.451 104 K N 0.158 120.680 120.400 0.203 0.000 2.026 104 K HA -0.178 3.514 4.320 -1.046 0.000 0.208 104 K C 2.194 178.954 176.600 0.268 0.000 1.048 104 K CA 1.610 58.072 56.287 0.291 0.000 0.929 104 K CB -0.336 32.296 32.500 0.220 0.000 0.713 104 K HN 0.418 nan 8.250 nan 0.000 0.439 105 A N 0.485 123.399 122.820 0.156 0.000 1.902 105 A HA -0.127 3.565 4.320 -1.046 0.000 0.217 105 A C 2.151 179.779 177.584 0.074 0.000 1.181 105 A CA 2.139 54.246 52.037 0.116 0.000 0.623 105 A CB -0.936 18.109 19.000 0.075 0.000 0.818 105 A HN 0.447 nan 8.150 nan 0.000 0.443 106 T N 0.330 114.903 114.554 0.032 0.000 2.777 106 T HA -0.064 3.658 4.350 -1.046 0.000 0.266 106 T C 1.792 176.512 174.700 0.034 0.000 1.040 106 T CA 1.436 63.493 62.100 -0.072 0.000 1.141 106 T CB -0.388 68.238 68.868 -0.404 0.000 0.868 106 T HN 0.431 nan 8.240 nan 0.000 0.444 107 I N 0.908 121.539 120.570 0.102 0.000 2.179 107 I HA -0.179 3.363 4.170 -1.046 0.000 0.242 107 I C 2.623 178.572 176.117 -0.280 0.000 1.088 107 I CA 1.309 62.557 61.300 -0.086 0.000 1.357 107 I CB -0.326 37.456 38.000 -0.363 0.000 1.051 107 I HN 0.184 nan 8.210 nan 0.000 0.409 108 K N 0.646 120.946 120.400 -0.167 0.000 2.103 108 K HA -0.173 3.520 4.320 -1.046 0.000 0.207 108 K C 1.956 178.568 176.600 0.020 0.000 1.048 108 K CA 1.815 58.116 56.287 0.023 0.000 0.930 108 K CB -0.034 32.638 32.500 0.286 0.000 0.716 108 K HN 0.239 nan 8.250 nan 0.000 0.444 109 T N 1.294 115.856 114.554 0.013 0.000 2.867 109 T HA -0.070 3.652 4.350 -1.046 0.000 0.268 109 T C 1.564 176.262 174.700 -0.003 0.000 1.057 109 T CA 1.358 63.463 62.100 0.009 0.000 1.136 109 T CB -0.120 68.747 68.868 -0.002 0.000 0.874 109 T HN 0.507 nan 8.240 nan 0.000 0.466 110 I N -1.292 119.273 120.570 -0.009 0.000 4.018 110 I HA 0.421 3.963 4.170 -1.046 0.000 0.337 110 I C 0.205 176.305 176.117 -0.029 0.000 1.327 110 I CA -0.620 60.677 61.300 -0.005 0.000 1.100 110 I CB -0.089 37.931 38.000 0.035 0.000 1.025 110 I HN -0.011 nan 8.210 nan 0.000 0.396 111 L N 2.969 124.156 121.223 -0.061 0.000 2.490 111 L HA 0.303 4.016 4.340 -1.046 0.000 0.274 111 L C 0.306 177.160 176.870 -0.026 0.000 1.201 111 L CA 0.863 55.657 54.840 -0.077 0.000 0.869 111 L CB 0.582 42.581 42.059 -0.100 0.000 1.123 111 L HN 0.609 nan 8.230 nan 0.000 0.484 112 S N 2.228 117.915 115.700 -0.021 0.000 2.615 112 S HA 0.284 4.126 4.470 -1.046 0.000 0.269 112 S C 0.276 174.876 174.600 -0.000 0.000 1.161 112 S CA -0.294 57.900 58.200 -0.009 0.000 0.817 112 S CB 0.775 63.960 63.200 -0.024 0.000 1.131 112 S HN 0.637 nan 8.310 nan 0.000 0.467 113 N N 0.750 119.452 118.700 0.004 0.000 2.519 113 N HA -0.027 4.085 4.740 -1.046 0.000 0.186 113 N C 1.101 176.615 175.510 0.007 0.000 1.062 113 N CA 1.103 54.160 53.050 0.011 0.000 0.910 113 N CB -0.125 38.368 38.487 0.010 0.000 0.958 113 N HN 0.464 nan 8.380 nan 0.000 0.445 114 K N -0.293 120.103 120.400 -0.006 0.000 2.305 114 K HA 0.130 3.822 4.320 -1.046 0.000 0.199 114 K C -0.074 176.526 176.600 0.001 0.000 1.047 114 K CA 0.070 56.352 56.287 -0.008 0.000 0.976 114 K CB -0.181 32.300 32.500 -0.032 0.000 0.765 114 K HN 0.050 nan 8.250 nan 0.000 0.474 115 V N 3.404 123.316 119.914 -0.003 0.000 2.458 115 V HA -0.045 3.448 4.120 -1.046 0.000 0.287 115 V C 1.504 177.612 176.094 0.023 0.000 1.009 115 V CA 0.092 62.392 62.300 -0.001 0.000 1.091 115 V CB 0.497 32.306 31.823 -0.024 0.000 0.960 115 V HN 0.056 nan 8.190 nan 0.000 0.476 116 V N 1.901 121.837 119.914 0.036 0.000 3.578 116 V HA 0.764 4.256 4.120 -1.046 0.000 0.290 116 V C 0.769 176.927 176.094 0.107 0.000 1.376 116 V CA 0.639 62.977 62.300 0.064 0.000 1.083 116 V CB -0.238 31.620 31.823 0.058 0.000 0.911 116 V HN 1.062 nan 8.190 nan 0.000 0.433 117 G N -0.137 108.720 108.800 0.095 0.000 2.325 117 G HA2 0.459 3.791 3.960 -1.046 0.000 0.297 117 G HA3 0.459 3.791 3.960 -1.046 0.000 0.297 117 G C -1.846 173.119 174.900 0.109 0.000 1.448 117 G CA -0.914 44.276 45.100 0.150 0.000 0.838 117 G HN 0.203 nan 8.290 nan 0.000 0.579 118 L N 0.088 121.388 121.223 0.128 0.000 2.346 118 L HA 0.719 4.431 4.340 -1.046 0.000 0.274 118 L C -0.348 176.582 176.870 0.099 0.000 1.007 118 L CA -1.267 53.607 54.840 0.058 0.000 0.818 118 L CB 2.125 44.193 42.059 0.016 0.000 1.284 118 L HN 0.319 nan 8.230 nan 0.000 0.424 119 V N 4.619 124.530 119.914 -0.005 0.000 2.350 119 V HA 0.423 3.915 4.120 -1.046 0.000 0.285 119 V C -0.057 175.957 176.094 -0.134 0.000 1.014 119 V CA -0.345 61.882 62.300 -0.123 0.000 0.831 119 V CB 1.606 33.083 31.823 -0.577 0.000 1.000 119 V HN 0.494 nan 8.190 nan 0.000 0.433 120 L N 3.464 124.674 121.223 -0.022 0.000 2.317 120 L HA 0.579 4.292 4.340 -1.046 0.000 0.281 120 L C 0.073 176.982 176.870 0.066 0.000 1.024 120 L CA -0.608 54.238 54.840 0.010 0.000 0.810 120 L CB 1.822 43.889 42.059 0.013 0.000 1.240 120 L HN 0.547 nan 8.230 nan 0.000 0.427 121 D N 0.557 121.019 120.400 0.103 0.000 2.360 121 D HA -0.034 3.978 4.640 -1.046 0.000 0.242 121 D C 0.905 177.257 176.300 0.086 0.000 1.184 121 D CA -0.140 53.948 54.000 0.147 0.000 0.930 121 D CB 0.793 41.678 40.800 0.141 0.000 1.161 121 D HN 0.382 nan 8.370 nan 0.000 0.447 122 F N 1.958 121.851 119.950 -0.095 0.000 2.087 122 F HA -0.200 3.693 4.527 -1.057 0.000 0.299 122 F C 1.356 177.090 175.800 -0.110 0.000 1.100 122 F CA 1.542 59.449 58.000 -0.155 0.000 1.226 122 F CB -0.528 38.319 39.000 -0.255 0.000 0.983 122 F HN 0.418 nan 8.300 nan 0.000 0.479 123 F N -0.205 119.586 119.950 -0.264 0.000 2.699 123 F HA -0.035 3.862 4.527 -1.050 0.000 0.298 123 F C 2.124 177.816 175.800 -0.180 0.000 1.154 123 F CA 0.544 58.339 58.000 -0.342 0.000 1.457 123 F CB -0.963 37.960 39.000 -0.127 0.000 1.106 123 F HN 0.035 nan 8.300 nan 0.000 0.585 124 C N -1.660 117.661 119.300 0.035 0.000 2.974 124 C HA 0.229 4.061 4.460 -1.046 0.000 0.282 124 C C 2.545 177.541 174.990 0.010 0.000 1.292 124 C CA -0.409 58.628 59.018 0.033 0.000 1.710 124 C CB -0.973 26.800 27.740 0.056 0.000 2.036 124 C HN 0.287 nan 8.230 nan 0.000 0.629 125 V N 2.432 122.337 119.914 -0.015 0.000 2.720 125 V HA -0.152 3.340 4.120 -1.046 0.000 0.256 125 V C 2.522 178.630 176.094 0.024 0.000 1.082 125 V CA 2.655 64.960 62.300 0.008 0.000 1.101 125 V CB -0.242 31.605 31.823 0.040 0.000 0.693 125 V HN 0.744 nan 8.190 nan 0.000 0.479 126 S N -0.991 114.718 115.700 0.016 0.000 2.507 126 S HA -0.129 3.713 4.470 -1.046 0.000 0.235 126 S C 1.703 176.317 174.600 0.024 0.000 0.988 126 S CA 1.364 59.576 58.200 0.021 0.000 0.944 126 S CB -0.551 62.656 63.200 0.011 0.000 0.762 126 S HN 0.622 nan 8.310 nan 0.000 0.526 127 M N 0.749 120.364 119.600 0.026 0.000 2.659 127 M HA 0.254 4.106 4.480 -1.046 0.000 0.243 127 M C 1.786 178.116 176.300 0.050 0.000 1.111 127 M CA 0.427 55.751 55.300 0.041 0.000 1.070 127 M CB -0.384 32.244 32.600 0.046 0.000 1.525 127 M HN 0.438 nan 8.290 nan 0.000 0.517 128 I N 0.485 121.078 120.570 0.038 0.000 2.423 128 I HA -0.322 3.220 4.170 -1.046 0.000 0.254 128 I C 1.364 177.508 176.117 0.045 0.000 1.151 128 I CA 1.510 62.833 61.300 0.037 0.000 1.421 128 I CB -0.065 37.950 38.000 0.025 0.000 1.079 128 I HN 0.258 nan 8.210 nan 0.000 0.431 129 D N 0.209 120.633 120.400 0.040 0.000 2.178 129 D HA -0.130 3.882 4.640 -1.046 0.000 0.202 129 D C 2.325 178.653 176.300 0.048 0.000 0.974 129 D CA 1.161 55.181 54.000 0.033 0.000 0.841 129 D CB -0.056 40.757 40.800 0.021 0.000 0.953 129 D HN 0.301 nan 8.370 nan 0.000 0.478 130 V N 1.055 121.019 119.914 0.083 0.000 2.307 130 V HA -0.124 3.369 4.120 -1.046 0.000 0.245 130 V C 2.614 178.860 176.094 0.253 0.000 1.045 130 V CA 1.954 64.346 62.300 0.153 0.000 1.024 130 V CB -0.969 30.970 31.823 0.193 0.000 0.651 130 V HN 0.211 nan 8.190 nan 0.000 0.449 131 G N 0.245 109.162 108.800 0.196 0.000 2.418 131 G HA2 -0.274 3.058 3.960 -1.046 0.000 0.217 131 G HA3 -0.274 3.058 3.960 -1.046 0.000 0.217 131 G C 1.421 176.430 174.900 0.181 0.000 1.158 131 G CA 0.941 46.167 45.100 0.209 0.000 0.771 131 G HN 0.507 nan 8.290 nan 0.000 0.545 132 N N 0.886 119.645 118.700 0.097 0.000 2.149 132 N HA -0.085 4.028 4.740 -1.046 0.000 0.188 132 N C 2.108 177.630 175.510 0.020 0.000 1.019 132 N CA 1.134 54.214 53.050 0.051 0.000 0.857 132 N CB -0.346 38.154 38.487 0.022 0.000 0.997 132 N HN 0.527 nan 8.380 nan 0.000 0.426 133 E N -0.688 119.492 120.200 -0.033 0.000 2.118 133 E HA -0.123 3.599 4.350 -1.046 0.000 0.195 133 E C 0.803 177.235 176.600 -0.281 0.000 0.992 133 E CA 0.860 57.134 56.400 -0.210 0.000 0.804 133 E CB -0.164 29.308 29.700 -0.381 0.000 0.741 133 E HN 0.424 nan 8.360 nan 0.000 0.458 134 F N -0.621 119.342 119.950 0.021 0.000 2.765 134 F HA 0.248 4.147 4.527 -1.047 0.000 0.302 134 F C 1.463 177.275 175.800 0.021 0.000 1.111 134 F CA 0.360 58.374 58.000 0.024 0.000 1.359 134 F CB 0.781 39.801 39.000 0.032 0.000 1.097 134 F HN 0.003 nan 8.300 nan 0.000 0.577 135 G N 1.525 110.416 108.800 0.151 0.000 2.160 135 G HA2 -0.311 3.021 3.960 -1.046 0.000 0.251 135 G HA3 -0.311 3.021 3.960 -1.046 0.000 0.251 135 G C 0.091 175.056 174.900 0.109 0.000 1.008 135 G CA -0.130 45.031 45.100 0.101 0.000 0.724 135 G HN 0.354 nan 8.290 nan 0.000 0.514 136 I N 1.116 121.769 120.570 0.139 0.000 2.331 136 I HA 0.319 3.861 4.170 -1.046 0.000 0.292 136 I C -1.918 174.247 176.117 0.079 0.000 0.998 136 I CA -2.501 58.864 61.300 0.108 0.000 1.267 136 I CB 1.692 39.758 38.000 0.110 0.000 1.386 136 I HN -0.129 nan 8.210 nan 0.000 0.476 137 P HA 0.185 nan 4.420 nan 0.000 0.275 137 P C -0.956 176.351 177.300 0.012 0.000 1.228 137 P CA -0.292 62.812 63.100 0.006 0.000 0.786 137 P CB 0.792 32.486 31.700 -0.010 0.000 0.927 138 S N 1.265 116.925 115.700 -0.066 0.000 2.482 138 S HA 0.521 4.364 4.470 -1.046 0.000 0.303 138 S C -1.071 173.443 174.600 -0.143 0.000 1.091 138 S CA -0.261 57.925 58.200 -0.023 0.000 1.057 138 S CB 0.300 63.498 63.200 -0.004 0.000 1.031 138 S HN 0.243 nan 8.310 nan 0.000 0.485 139 Y N 1.606 121.904 120.300 -0.004 0.000 2.377 139 Y HA 0.481 4.404 4.550 -1.045 0.000 0.339 139 Y C 0.060 175.942 175.900 -0.031 0.000 1.011 139 Y CA -0.755 57.344 58.100 -0.001 0.000 1.093 139 Y CB 1.063 39.529 38.460 0.009 0.000 1.201 139 Y HN 0.443 nan 8.280 nan 0.000 0.455 140 L N 4.565 125.835 121.223 0.077 0.000 2.292 140 L HA 0.383 4.096 4.340 -1.046 0.000 0.284 140 L C -1.427 175.465 176.870 0.037 0.000 1.065 140 L CA -0.617 54.196 54.840 -0.045 0.000 0.806 140 L CB 0.643 42.534 42.059 -0.281 0.000 1.175 140 L HN 0.663 nan 8.230 nan 0.000 0.431 141 F N 6.309 126.169 119.950 -0.150 0.000 2.382 141 F HA 0.436 4.335 4.527 -1.046 0.000 0.361 141 F C -1.152 174.567 175.800 -0.135 0.000 1.109 141 F CA -0.740 57.143 58.000 -0.195 0.000 1.031 141 F CB 0.869 39.712 39.000 -0.262 0.000 1.234 141 F HN 0.229 nan 8.300 nan 0.000 0.445 142 L N 6.167 127.032 121.223 -0.598 0.000 2.264 142 L HA 0.263 3.975 4.340 -1.046 0.000 0.289 142 L C 1.139 177.593 176.870 -0.693 0.000 1.044 142 L CA -0.349 54.189 54.840 -0.503 0.000 0.807 142 L CB 1.785 43.666 42.059 -0.297 0.000 1.192 142 L HN 0.759 nan 8.230 nan 0.000 0.425 143 T N -2.093 112.161 114.554 -0.499 0.000 3.148 143 T HA 0.002 3.724 4.350 -1.046 0.000 0.253 143 T C 0.958 175.617 174.700 -0.068 0.000 1.134 143 T CA 0.137 62.071 62.100 -0.277 0.000 1.051 143 T CB 0.392 69.270 68.868 0.018 0.000 0.959 143 T HN 0.445 nan 8.240 nan 0.000 0.525 144 S N 1.734 117.282 115.700 -0.253 0.000 2.561 144 S HA 0.575 4.417 4.470 -1.046 0.000 0.282 144 S C -0.040 174.165 174.600 -0.658 0.000 1.123 144 S CA -0.679 57.245 58.200 -0.461 0.000 1.011 144 S CB 0.588 63.447 63.200 -0.570 0.000 1.244 144 S HN 0.725 nan 8.310 nan 0.000 0.503 145 N N -0.921 117.276 118.700 -0.838 0.000 2.619 145 N HA 0.346 4.458 4.740 -1.046 0.000 0.294 145 N C 0.447 175.780 175.510 -0.295 0.000 1.279 145 N CA -0.744 51.904 53.050 -0.670 0.000 0.867 145 N CB 0.077 37.883 38.487 -1.134 0.000 1.329 145 N HN 0.182 nan 8.380 nan 0.000 0.557 146 V N -0.445 119.352 119.914 -0.195 0.000 2.759 146 V HA -0.022 3.470 4.120 -1.046 0.000 0.256 146 V C 2.118 178.135 176.094 -0.128 0.000 1.080 146 V CA 2.105 64.326 62.300 -0.131 0.000 1.101 146 V CB -1.384 30.378 31.823 -0.101 0.000 0.698 146 V HN 0.897 nan 8.190 nan 0.000 0.477 147 G N -0.679 108.045 108.800 -0.128 0.000 2.402 147 G HA2 -0.279 3.053 3.960 -1.046 0.000 0.216 147 G HA3 -0.279 3.053 3.960 -1.046 0.000 0.216 147 G C 1.497 176.321 174.900 -0.127 0.000 1.162 147 G CA 0.758 45.788 45.100 -0.116 0.000 0.777 147 G HN 0.501 nan 8.290 nan 0.000 0.539 148 F N 0.929 120.712 119.950 -0.278 0.000 2.186 148 F HA 0.084 3.987 4.527 -1.040 0.000 0.299 148 F C 2.199 177.830 175.800 -0.281 0.000 1.090 148 F CA 0.872 58.689 58.000 -0.305 0.000 1.307 148 F CB -0.167 38.604 39.000 -0.381 0.000 1.019 148 F HN 0.106 nan 8.300 nan 0.000 0.489 149 L N -0.148 120.930 121.223 -0.241 0.000 2.046 149 L HA -0.155 3.557 4.340 -1.046 0.000 0.208 149 L C 2.357 179.070 176.870 -0.260 0.000 1.077 149 L CA 2.144 56.865 54.840 -0.199 0.000 0.747 149 L CB -1.248 40.761 42.059 -0.083 0.000 0.896 149 L HN 0.078 nan 8.230 nan 0.000 0.432 150 S N -0.286 115.273 115.700 -0.234 0.000 2.356 150 S HA -0.181 3.662 4.470 -1.046 0.000 0.223 150 S C 1.825 176.263 174.600 -0.270 0.000 1.032 150 S CA 1.589 59.658 58.200 -0.217 0.000 1.005 150 S CB -0.693 62.402 63.200 -0.175 0.000 0.867 150 S HN 0.501 nan 8.310 nan 0.000 0.449 151 L N 1.746 122.773 121.223 -0.327 0.000 1.989 151 L HA -0.092 3.620 4.340 -1.046 0.000 0.211 151 L C 2.159 178.769 176.870 -0.434 0.000 1.071 151 L CA 1.846 56.487 54.840 -0.332 0.000 0.749 151 L CB -0.660 41.184 42.059 -0.358 0.000 0.890 151 L HN 0.195 nan 8.230 nan 0.000 0.431 152 M N -0.772 118.398 119.600 -0.717 0.000 2.080 152 M HA -0.219 3.633 4.480 -1.046 0.000 0.260 152 M C 2.400 178.342 176.300 -0.596 0.000 1.068 152 M CA 1.810 56.621 55.300 -0.815 0.000 1.109 152 M CB -1.329 30.563 32.600 -1.181 0.000 1.342 152 M HN 0.321 nan 8.290 nan 0.000 0.405 153 L N 0.075 121.032 121.223 -0.443 0.000 2.265 153 L HA -0.178 3.535 4.340 -1.046 0.000 0.215 153 L C 2.459 179.207 176.870 -0.205 0.000 1.117 153 L CA 1.308 55.980 54.840 -0.280 0.000 0.782 153 L CB -0.753 41.219 42.059 -0.144 0.000 0.914 153 L HN 0.426 nan 8.230 nan 0.000 0.441 154 S N -0.718 114.864 115.700 -0.198 0.000 2.527 154 S HA 0.020 3.862 4.470 -1.046 0.000 0.222 154 S C 1.781 176.339 174.600 -0.070 0.000 0.985 154 S CA 0.051 58.180 58.200 -0.117 0.000 0.921 154 S CB -0.261 62.876 63.200 -0.105 0.000 0.772 154 S HN 0.392 nan 8.310 nan 0.000 0.529 155 L N 1.045 122.202 121.223 -0.109 0.000 2.265 155 L HA -0.012 3.700 4.340 -1.046 0.000 0.215 155 L C 2.694 179.564 176.870 0.000 0.000 1.117 155 L CA 1.302 56.130 54.840 -0.020 0.000 0.782 155 L CB -0.518 41.465 42.059 -0.127 0.000 0.914 155 L HN 0.401 nan 8.230 nan 0.000 0.441 156 K N 1.542 121.882 120.400 -0.101 0.000 2.360 156 K HA -0.183 3.510 4.320 -1.046 0.000 0.201 156 K C 1.365 177.996 176.600 0.053 0.000 1.046 156 K CA 1.465 57.725 56.287 -0.044 0.000 0.945 156 K CB -0.031 32.423 32.500 -0.076 0.000 0.750 156 K HN 0.456 nan 8.250 nan 0.000 0.464 157 N N 0.090 118.812 118.700 0.036 0.000 2.370 157 N HA -0.014 4.099 4.740 -1.046 0.000 0.198 157 N C -0.285 175.240 175.510 0.025 0.000 1.156 157 N CA -0.012 53.056 53.050 0.029 0.000 0.839 157 N CB 0.274 38.767 38.487 0.010 0.000 0.989 157 N HN 0.053 nan 8.380 nan 0.000 0.468 158 R N -1.109 119.444 120.500 0.087 0.000 2.922 158 R HA 0.336 4.049 4.340 -1.046 0.000 0.256 158 R C -0.607 175.772 176.300 0.132 0.000 1.138 158 R CA -0.850 55.291 56.100 0.068 0.000 0.995 158 R CB 1.150 31.478 30.300 0.048 0.000 1.226 158 R HN 0.136 nan 8.270 nan 0.000 0.481 159 Q N 0.239 120.059 119.800 0.033 0.000 2.162 159 Q HA 0.279 3.991 4.340 -1.046 0.000 0.197 159 Q C 0.545 176.410 176.000 -0.225 0.000 1.013 159 Q CA -0.237 55.532 55.803 -0.056 0.000 1.040 159 Q CB 1.158 29.854 28.738 -0.070 0.000 1.114 159 Q HN 0.616 nan 8.270 nan 0.000 0.547 160 I N -0.180 120.169 120.570 -0.370 0.000 3.419 160 I HA -0.057 3.485 4.170 -1.046 0.000 0.286 160 I C 1.009 177.082 176.117 -0.074 0.000 1.268 160 I CA 0.856 61.840 61.300 -0.526 0.000 1.414 160 I CB 0.191 37.922 38.000 -0.447 0.000 1.074 160 I HN 0.726 nan 8.210 nan 0.000 0.457 161 E N -0.032 120.132 120.200 -0.060 0.000 2.562 161 E HA -0.007 3.715 4.350 -1.046 0.000 0.214 161 E C 0.561 177.069 176.600 -0.154 0.000 0.979 161 E CA -0.223 56.145 56.400 -0.052 0.000 1.002 161 E CB -0.023 29.642 29.700 -0.057 0.000 1.048 161 E HN 0.175 nan 8.360 nan 0.000 0.488 162 E N 1.762 121.830 120.200 -0.221 0.000 1.852 162 E HA 0.060 3.782 4.350 -1.046 0.000 0.276 162 E C -0.550 175.572 176.600 -0.796 0.000 1.163 162 E CA -0.266 55.920 56.400 -0.356 0.000 1.117 162 E CB 0.331 29.881 29.700 -0.251 0.000 1.124 162 E HN 0.088 nan 8.360 nan 0.000 0.458 163 V N 5.637 125.183 119.914 -0.614 0.000 1.956 163 V HA 0.046 3.538 4.120 -1.046 0.000 0.248 163 V C -0.071 175.961 176.094 -0.104 0.000 1.615 163 V CA -0.220 61.739 62.300 -0.569 0.000 1.558 163 V CB -1.919 29.786 31.823 -0.198 0.000 1.529 163 V HN 0.626 nan 8.190 nan 0.000 0.505 164 F N 2.598 122.331 119.950 -0.362 0.000 2.284 164 F HA -0.226 3.677 4.527 -1.041 0.000 0.197 164 F C 0.972 176.798 175.800 0.042 0.000 1.023 164 F CA 1.053 58.999 58.000 -0.091 0.000 0.858 164 F CB -1.662 37.297 39.000 -0.068 0.000 0.933 164 F HN 0.722 nan 8.300 nan 0.000 0.803 165 D N 0.307 120.735 120.400 0.047 0.000 2.913 165 D HA -0.274 3.738 4.640 -1.046 0.000 0.228 165 D C 0.214 176.555 176.300 0.068 0.000 1.180 165 D CA 1.799 55.826 54.000 0.046 0.000 0.761 165 D CB -0.824 40.016 40.800 0.066 0.000 1.085 165 D HN 0.765 nan 8.370 nan 0.000 0.420 166 D N -1.166 119.284 120.400 0.084 0.000 2.760 166 D HA -0.222 3.790 4.640 -1.046 0.000 0.244 166 D C 0.333 176.674 176.300 0.069 0.000 1.123 166 D CA 1.262 55.303 54.000 0.069 0.000 0.719 166 D CB -1.406 39.404 40.800 0.017 0.000 1.045 166 D HN 0.370 nan 8.370 nan 0.000 0.426 167 S N -0.266 115.526 115.700 0.154 0.000 3.402 167 S HA -0.295 3.547 4.470 -1.046 0.000 0.329 167 S C 0.412 174.925 174.600 -0.145 0.000 1.194 167 S CA 1.290 59.410 58.200 -0.133 0.000 0.951 167 S CB -0.579 62.489 63.200 -0.219 0.000 0.975 167 S HN 0.509 nan 8.310 nan 0.000 0.574 168 D N 1.316 121.713 120.400 -0.004 0.000 2.977 168 D HA 0.118 4.131 4.640 -1.046 0.000 0.241 168 D C 0.418 176.724 176.300 0.009 0.000 1.206 168 D CA -0.259 53.739 54.000 -0.003 0.000 0.902 168 D CB -0.270 40.546 40.800 0.026 0.000 1.131 168 D HN 0.738 nan 8.370 nan 0.000 0.447 169 R N -0.256 120.198 120.500 -0.077 0.000 2.255 169 R HA 0.579 4.291 4.340 -1.046 0.000 0.326 169 R C -0.157 176.089 176.300 -0.090 0.000 0.986 169 R CA -0.524 55.540 56.100 -0.060 0.000 0.847 169 R CB 1.422 31.645 30.300 -0.128 0.000 1.111 169 R HN -0.228 nan 8.270 nan 0.000 0.452 170 D N 0.602 120.982 120.400 -0.034 0.000 1.903 170 D HA 0.010 4.022 4.640 -1.046 0.000 0.387 170 D C 0.273 176.356 176.300 -0.362 0.000 1.124 170 D CA 0.397 54.302 54.000 -0.157 0.000 1.078 170 D CB 0.289 41.090 40.800 0.002 0.000 1.882 170 D HN 0.696 nan 8.370 nan 0.000 0.529 171 H N -0.031 119.025 119.070 -0.024 0.000 3.457 171 H HA 0.215 4.142 4.556 -1.048 0.000 0.255 171 H C 0.201 175.524 175.328 -0.008 0.000 1.082 171 H CA -0.185 55.852 56.048 -0.017 0.000 1.189 171 H CB 0.363 30.116 29.762 -0.014 0.000 1.511 171 H HN -0.109 nan 8.280 nan 0.000 0.527 172 Q N 2.251 122.128 119.800 0.129 0.000 2.339 172 Q HA 0.048 3.760 4.340 -1.046 0.000 0.308 172 Q C -0.864 175.171 176.000 0.059 0.000 1.097 172 Q CA 0.398 56.254 55.803 0.089 0.000 1.007 172 Q CB -0.082 28.717 28.738 0.101 0.000 1.051 172 Q HN 0.411 nan 8.270 nan 0.000 0.381 173 L N 5.225 126.475 121.223 0.045 0.000 2.334 173 L HA 0.545 4.257 4.340 -1.046 0.000 0.275 173 L C -0.404 176.481 176.870 0.026 0.000 1.036 173 L CA -0.886 53.965 54.840 0.019 0.000 0.807 173 L CB 1.047 43.117 42.059 0.017 0.000 1.231 173 L HN 0.568 nan 8.230 nan 0.000 0.438 174 L N 1.981 123.213 121.223 0.014 0.000 2.362 174 L HA 0.451 4.164 4.340 -1.046 0.000 0.271 174 L C -0.621 176.251 176.870 0.003 0.000 1.002 174 L CA -0.653 54.202 54.840 0.026 0.000 0.818 174 L CB 2.084 44.182 42.059 0.066 0.000 1.298 174 L HN 0.493 nan 8.230 nan 0.000 0.420 175 N N 3.595 122.294 118.700 -0.001 0.000 2.485 175 N HA 0.489 4.602 4.740 -1.046 0.000 0.243 175 N C -1.023 174.463 175.510 -0.041 0.000 0.987 175 N CA -0.502 52.538 53.050 -0.017 0.000 0.940 175 N CB 0.716 39.196 38.487 -0.012 0.000 1.122 175 N HN 0.544 nan 8.380 nan 0.000 0.509 176 I N 0.697 121.232 120.570 -0.058 0.000 2.389 176 I HA 0.625 4.168 4.170 -1.046 0.000 0.288 176 I C -2.579 173.451 176.117 -0.146 0.000 0.999 176 I CA -2.658 58.582 61.300 -0.101 0.000 1.129 176 I CB 1.794 39.742 38.000 -0.086 0.000 1.288 176 I HN 0.263 nan 8.210 nan 0.000 0.444 177 P HA 0.175 nan 4.420 nan 0.000 0.264 177 P C 0.912 178.085 177.300 -0.213 0.000 1.193 177 P CA 0.955 63.871 63.100 -0.306 0.000 0.763 177 P CB 0.867 32.122 31.700 -0.741 0.000 0.810 178 G N 2.797 111.510 108.800 -0.145 0.000 2.259 178 G HA2 -0.182 3.150 3.960 -1.046 0.000 0.217 178 G HA3 -0.182 3.150 3.960 -1.046 0.000 0.217 178 G C 0.003 174.847 174.900 -0.093 0.000 1.001 178 G CA -0.422 44.606 45.100 -0.120 0.000 0.627 178 G HN 0.490 nan 8.290 nan 0.000 0.501 179 I N 2.208 122.726 120.570 -0.087 0.000 2.382 179 I HA 0.322 3.864 4.170 -1.046 0.000 0.285 179 I C 1.515 177.606 176.117 -0.044 0.000 1.007 179 I CA -0.465 60.797 61.300 -0.064 0.000 1.142 179 I CB 1.712 39.682 38.000 -0.050 0.000 1.289 179 I HN 0.037 nan 8.210 nan 0.000 0.453 180 S N 4.056 119.729 115.700 -0.044 0.000 2.359 180 S HA -0.148 3.694 4.470 -1.046 0.000 0.223 180 S C 0.743 175.337 174.600 -0.011 0.000 1.039 180 S CA 1.273 59.455 58.200 -0.030 0.000 1.042 180 S CB -0.381 62.797 63.200 -0.038 0.000 0.915 180 S HN 0.694 nan 8.310 nan 0.000 0.439 181 N N 1.842 120.542 118.700 0.001 0.000 2.508 181 N HA 0.113 4.225 4.740 -1.046 0.000 0.264 181 N C -0.507 175.058 175.510 0.092 0.000 1.216 181 N CA -0.407 52.676 53.050 0.056 0.000 0.943 181 N CB 0.325 38.864 38.487 0.087 0.000 1.113 181 N HN 0.171 nan 8.380 nan 0.000 0.447 182 Q N 1.167 121.014 119.800 0.079 0.000 2.337 182 Q HA 0.073 3.785 4.340 -1.046 0.000 0.270 182 Q C -0.455 175.570 176.000 0.042 0.000 1.002 182 Q CA 0.033 55.863 55.803 0.044 0.000 0.888 182 Q CB 1.248 30.006 28.738 0.033 0.000 1.222 182 Q HN 0.342 nan 8.270 nan 0.000 0.400 183 V N 5.436 125.328 119.914 -0.037 0.000 2.406 183 V HA 0.281 3.773 4.120 -1.046 0.000 0.272 183 V C -2.275 173.667 176.094 -0.253 0.000 1.043 183 V CA -2.181 59.993 62.300 -0.209 0.000 0.915 183 V CB 1.507 33.231 31.823 -0.166 0.000 0.988 183 V HN 0.586 nan 8.190 nan 0.000 0.466 184 P HA 0.103 nan 4.420 nan 0.000 0.268 184 P C 0.617 177.809 177.300 -0.180 0.000 1.204 184 P CA 0.339 63.273 63.100 -0.277 0.000 0.768 184 P CB 0.990 32.473 31.700 -0.363 0.000 0.842 185 S N 3.111 118.787 115.700 -0.040 0.000 2.419 185 S HA -0.153 3.689 4.470 -1.046 0.000 0.233 185 S C 1.384 176.058 174.600 0.124 0.000 1.016 185 S CA 1.668 59.923 58.200 0.092 0.000 0.974 185 S CB -0.919 62.380 63.200 0.166 0.000 0.786 185 S HN 0.589 nan 8.310 nan 0.000 0.492 186 N N 0.992 119.682 118.700 -0.017 0.000 2.521 186 N HA -0.034 4.078 4.740 -1.046 0.000 0.188 186 N C 0.880 176.382 175.510 -0.012 0.000 1.146 186 N CA 0.894 53.921 53.050 -0.038 0.000 0.893 186 N CB -0.114 38.312 38.487 -0.102 0.000 0.975 186 N HN 0.409 nan 8.380 nan 0.000 0.451 187 V N -3.106 116.774 119.914 -0.056 0.000 3.214 187 V HA 0.417 3.909 4.120 -1.046 0.000 0.330 187 V C 0.267 176.352 176.094 -0.014 0.000 1.403 187 V CA -0.634 61.632 62.300 -0.057 0.000 1.143 187 V CB -0.729 30.972 31.823 -0.203 0.000 1.098 187 V HN 0.063 nan 8.190 nan 0.000 0.463 188 L N 1.436 122.681 121.223 0.037 0.000 2.418 188 L HA 0.482 4.194 4.340 -1.046 0.000 0.265 188 L C -2.060 174.825 176.870 0.024 0.000 1.143 188 L CA -1.752 53.051 54.840 -0.061 0.000 0.809 188 L CB 0.836 42.692 42.059 -0.339 0.000 1.124 188 L HN 0.087 nan 8.230 nan 0.000 0.456 189 P HA 0.001 nan 4.420 nan 0.000 0.269 189 P C -0.155 177.171 177.300 0.043 0.000 1.209 189 P CA -0.185 62.979 63.100 0.107 0.000 0.776 189 P CB 0.536 32.408 31.700 0.286 0.000 0.876 190 D N 1.943 122.425 120.400 0.138 0.000 2.133 190 D HA -0.204 3.808 4.640 -1.046 0.000 0.195 190 D C 1.910 178.238 176.300 0.046 0.000 0.997 190 D CA 1.941 56.042 54.000 0.169 0.000 0.840 190 D CB -0.551 40.343 40.800 0.157 0.000 0.947 190 D HN 0.369 nan 8.370 nan 0.000 0.452 191 A N 0.411 123.169 122.820 -0.105 0.000 1.986 191 A HA -0.232 3.460 4.320 -1.046 0.000 0.220 191 A C 2.537 179.985 177.584 -0.226 0.000 1.171 191 A CA 1.431 53.301 52.037 -0.278 0.000 0.640 191 A CB -0.954 17.531 19.000 -0.858 0.000 0.811 191 A HN 0.377 nan 8.150 nan 0.000 0.451 192 C N -1.990 117.110 119.300 -0.333 0.000 2.419 192 C HA -0.039 3.793 4.460 -1.046 0.000 0.281 192 C C 2.037 176.777 174.990 -0.415 0.000 1.336 192 C CA 0.761 59.524 59.018 -0.426 0.000 1.770 192 C CB -1.598 25.450 27.740 -1.153 0.000 1.929 192 C HN 0.643 nan 8.230 nan 0.000 0.509 193 F N -0.167 119.772 119.950 -0.018 0.000 2.731 193 F HA 0.210 4.115 4.527 -1.036 0.000 0.298 193 F C 0.882 176.694 175.800 0.020 0.000 1.106 193 F CA -0.272 57.731 58.000 0.006 0.000 1.329 193 F CB -0.742 38.244 39.000 -0.023 0.000 1.100 193 F HN 0.035 nan 8.300 nan 0.000 0.592 194 N N 1.294 120.091 118.700 0.162 0.000 2.438 194 N HA 0.018 4.130 4.740 -1.046 0.000 0.267 194 N C 0.522 176.088 175.510 0.093 0.000 1.222 194 N CA 0.165 53.282 53.050 0.111 0.000 0.930 194 N CB 0.478 39.011 38.487 0.078 0.000 1.083 194 N HN -0.022 nan 8.380 nan 0.000 0.476 195 K N 1.273 121.708 120.400 0.059 0.000 2.404 195 K HA 0.118 3.811 4.320 -1.046 0.000 0.194 195 K C -0.311 176.277 176.600 -0.020 0.000 1.023 195 K CA 0.256 56.557 56.287 0.024 0.000 1.094 195 K CB 0.497 33.002 32.500 0.010 0.000 0.841 195 K HN 0.493 nan 8.250 nan 0.000 0.523 196 D N 0.007 120.392 120.400 -0.025 0.000 2.395 196 D HA 0.175 4.187 4.640 -1.046 0.000 0.226 196 D C 0.908 177.091 176.300 -0.195 0.000 1.146 196 D CA 0.288 54.238 54.000 -0.082 0.000 0.830 196 D CB 0.676 41.459 40.800 -0.029 0.000 0.958 196 D HN 0.315 nan 8.370 nan 0.000 0.501 197 G N -0.281 108.399 108.800 -0.201 0.000 2.284 197 G HA2 -0.230 3.102 3.960 -1.046 0.000 0.201 197 G HA3 -0.230 3.102 3.960 -1.046 0.000 0.201 197 G C 1.353 176.296 174.900 0.072 0.000 0.998 197 G CA 0.108 44.993 45.100 -0.358 0.000 0.651 197 G HN 0.425 nan 8.290 nan 0.000 0.489 198 G N 0.309 109.168 108.800 0.098 0.000 2.459 198 G HA2 -0.122 3.210 3.960 -1.046 0.000 0.217 198 G HA3 -0.122 3.210 3.960 -1.046 0.000 0.217 198 G C 1.437 176.394 174.900 0.096 0.000 1.183 198 G CA 1.895 47.054 45.100 0.098 0.000 0.776 198 G HN 0.723 nan 8.290 nan 0.000 0.552 199 Y N 1.289 121.607 120.300 0.030 0.000 2.224 199 Y HA -0.035 3.809 4.550 -1.176 0.000 0.289 199 Y C 2.607 178.640 175.900 0.222 0.000 1.146 199 Y CA 1.235 59.403 58.100 0.113 0.000 1.182 199 Y CB -0.122 38.407 38.460 0.116 0.000 0.983 199 Y HN 0.192 nan 8.280 nan 0.000 0.524 200 I N -0.173 120.529 120.570 0.220 0.000 2.226 200 I HA -0.340 3.202 4.170 -1.046 0.000 0.245 200 I C 2.661 178.936 176.117 0.263 0.000 1.100 200 I CA 1.172 62.590 61.300 0.197 0.000 1.374 200 I CB -0.788 37.322 38.000 0.183 0.000 1.057 200 I HN 0.330 nan 8.210 nan 0.000 0.413 201 A N 0.314 123.340 122.820 0.344 0.000 1.858 201 A HA -0.250 3.442 4.320 -1.046 0.000 0.216 201 A C 2.292 180.102 177.584 0.377 0.000 1.190 201 A CA 1.506 53.770 52.037 0.378 0.000 0.617 201 A CB -1.217 18.047 19.000 0.441 0.000 0.827 201 A HN 0.426 nan 8.150 nan 0.000 0.443 202 Y N -2.617 117.794 120.300 0.186 0.000 2.165 202 Y HA -0.312 3.600 4.550 -1.062 0.000 0.286 202 Y C 2.477 178.350 175.900 -0.046 0.000 1.155 202 Y CA 1.594 59.777 58.100 0.139 0.000 1.164 202 Y CB -0.310 38.196 38.460 0.076 0.000 0.978 202 Y HN 0.506 nan 8.280 nan 0.000 0.513 203 Y N 1.189 121.436 120.300 -0.089 0.000 2.145 203 Y HA -0.276 4.349 4.550 0.124 0.000 0.286 203 Y C 2.324 178.175 175.900 -0.081 0.000 1.145 203 Y CA 1.538 59.516 58.100 -0.204 0.000 1.148 203 Y CB -0.137 38.125 38.460 -0.330 0.000 0.981 203 Y HN -0.135 nan 8.280 nan 0.000 0.507 204 K N 0.222 120.727 120.400 0.175 0.000 2.063 204 K HA -0.163 3.529 4.320 -1.046 0.000 0.208 204 K C 2.077 178.691 176.600 0.024 0.000 1.048 204 K CA 1.633 57.996 56.287 0.126 0.000 0.928 204 K CB -0.695 31.901 32.500 0.159 0.000 0.713 204 K HN 0.419 nan 8.250 nan 0.000 0.442 205 L N 0.189 121.422 121.223 0.016 0.000 2.044 205 L HA -0.085 3.627 4.340 -1.046 0.000 0.205 205 L C 2.601 179.475 176.870 0.007 0.000 1.075 205 L CA 1.107 55.962 54.840 0.025 0.000 0.747 205 L CB -0.654 41.342 42.059 -0.105 0.000 0.903 205 L HN 0.062 nan 8.230 nan 0.000 0.435 206 A N 0.004 122.619 122.820 -0.341 0.000 1.978 206 A HA -0.279 3.413 4.320 -1.046 0.000 0.220 206 A C 2.223 179.501 177.584 -0.510 0.000 1.170 206 A CA 1.896 53.376 52.037 -0.930 0.000 0.636 206 A CB -0.622 17.852 19.000 -0.877 0.000 0.810 206 A HN 0.510 nan 8.150 nan 0.000 0.448 207 E N -0.655 119.322 120.200 -0.372 0.000 2.267 207 E HA -0.209 3.514 4.350 -1.046 0.000 0.197 207 E C 1.430 177.991 176.600 -0.065 0.000 0.998 207 E CA 0.917 57.160 56.400 -0.260 0.000 0.830 207 E CB 0.056 29.615 29.700 -0.235 0.000 0.751 207 E HN 0.408 nan 8.360 nan 0.000 0.491 208 R N -0.760 119.767 120.500 0.045 0.000 2.334 208 R HA 0.062 3.774 4.340 -1.046 0.000 0.212 208 R C 1.498 177.934 176.300 0.227 0.000 0.897 208 R CA -0.050 56.122 56.100 0.119 0.000 1.056 208 R CB -0.257 30.109 30.300 0.110 0.000 1.046 208 R HN 0.188 nan 8.270 nan 0.000 0.513 209 F N 2.025 121.947 119.950 -0.046 0.000 2.091 209 F HA -0.148 3.764 4.527 -1.025 0.000 0.299 209 F C 2.119 177.903 175.800 -0.027 0.000 1.103 209 F CA 1.406 59.386 58.000 -0.034 0.000 1.228 209 F CB -0.381 38.582 39.000 -0.062 0.000 0.984 209 F HN -0.067 nan 8.300 nan 0.000 0.477 210 R N -0.051 120.550 120.500 0.170 0.000 2.316 210 R HA -0.087 3.626 4.340 -1.046 0.000 0.202 210 R C 0.950 177.277 176.300 0.045 0.000 1.029 210 R CA 0.878 57.029 56.100 0.085 0.000 1.018 210 R CB -0.307 30.027 30.300 0.056 0.000 0.888 210 R HN 0.258 nan 8.270 nan 0.000 0.471 211 D N 0.129 120.555 120.400 0.043 0.000 2.350 211 D HA -0.038 3.974 4.640 -1.046 0.000 0.213 211 D C 0.757 177.046 176.300 -0.018 0.000 1.031 211 D CA 0.608 54.616 54.000 0.013 0.000 0.861 211 D CB 0.239 41.051 40.800 0.020 0.000 0.926 211 D HN 0.219 nan 8.370 nan 0.000 0.520 212 T N -1.746 112.790 114.554 -0.030 0.000 2.868 212 T HA 0.146 3.868 4.350 -1.046 0.000 0.292 212 T C 1.122 175.735 174.700 -0.145 0.000 1.028 212 T CA -0.576 61.467 62.100 -0.096 0.000 1.059 212 T CB 2.297 71.106 68.868 -0.098 0.000 0.991 212 T HN -0.181 nan 8.240 nan 0.000 0.531 213 K N 0.693 120.901 120.400 -0.320 0.000 2.217 213 K HA 0.180 3.873 4.320 -1.046 0.000 0.202 213 K C 0.794 177.247 176.600 -0.246 0.000 1.051 213 K CA 0.644 56.704 56.287 -0.378 0.000 0.952 213 K CB -0.365 31.717 32.500 -0.697 0.000 0.736 213 K HN 0.922 nan 8.250 nan 0.000 0.453 214 G N 0.182 108.863 108.800 -0.198 0.000 2.616 214 G HA2 0.408 3.740 3.960 -1.046 0.000 0.294 214 G HA3 0.408 3.740 3.960 -1.046 0.000 0.294 214 G C -1.664 173.406 174.900 0.284 0.000 1.489 214 G CA -0.847 44.407 45.100 0.256 0.000 0.836 214 G HN 0.062 nan 8.290 nan 0.000 0.527 215 I N 1.514 122.261 120.570 0.295 0.000 2.355 215 I HA 0.369 3.911 4.170 -1.046 0.000 0.288 215 I C -0.631 175.628 176.117 0.238 0.000 0.999 215 I CA -0.752 60.641 61.300 0.156 0.000 1.163 215 I CB 1.740 39.754 38.000 0.022 0.000 1.316 215 I HN 0.372 nan 8.210 nan 0.000 0.454 216 I N 8.431 129.104 120.570 0.173 0.000 2.331 216 I HA 0.448 3.990 4.170 -1.046 0.000 0.292 216 I C -0.587 175.498 176.117 -0.053 0.000 0.998 216 I CA -0.191 61.189 61.300 0.133 0.000 1.267 216 I CB 1.274 39.329 38.000 0.092 0.000 1.386 216 I HN 0.207 nan 8.210 nan 0.000 0.476 217 V N 7.077 126.970 119.914 -0.036 0.000 2.656 217 V HA 0.354 3.846 4.120 -1.046 0.000 0.307 217 V C 0.188 176.254 176.094 -0.048 0.000 1.051 217 V CA -0.928 61.303 62.300 -0.114 0.000 0.893 217 V CB 1.748 33.531 31.823 -0.068 0.000 0.999 217 V HN 0.734 nan 8.190 nan 0.000 0.426 218 N N 2.429 121.085 118.700 -0.072 0.000 2.895 218 N HA 0.277 4.389 4.740 -1.046 0.000 0.277 218 N C -0.329 175.381 175.510 0.333 0.000 1.185 218 N CA 0.155 53.275 53.050 0.116 0.000 1.106 218 N CB 0.196 38.755 38.487 0.121 0.000 1.422 218 N HN 0.830 nan 8.380 nan 0.000 0.521 219 T N 1.039 115.759 114.554 0.278 0.000 2.693 219 T HA 0.489 4.212 4.350 -1.046 0.000 0.304 219 T C -1.876 173.025 174.700 0.336 0.000 1.471 219 T CA -0.578 61.717 62.100 0.325 0.000 0.993 219 T CB 0.549 69.511 68.868 0.157 0.000 1.554 219 T HN 0.232 nan 8.240 nan 0.000 0.496 220 F N -0.314 119.684 119.950 0.080 0.000 2.603 220 F HA 0.809 4.709 4.527 -1.045 0.000 0.317 220 F C 1.411 177.230 175.800 0.030 0.000 1.066 220 F CA -0.924 57.107 58.000 0.051 0.000 0.941 220 F CB 0.957 39.980 39.000 0.038 0.000 1.291 220 F HN 0.463 nan 8.300 nan 0.000 0.472 221 S N 0.161 115.968 115.700 0.178 0.000 2.359 221 S HA -0.218 3.624 4.470 -1.046 0.000 0.223 221 S C 1.394 176.012 174.600 0.029 0.000 1.039 221 S CA 2.278 60.525 58.200 0.077 0.000 1.042 221 S CB -0.556 62.706 63.200 0.103 0.000 0.915 221 S HN 0.810 nan 8.310 nan 0.000 0.439 222 D N 0.536 121.018 120.400 0.136 0.000 2.311 222 D HA -0.058 3.954 4.640 -1.046 0.000 0.212 222 D C 1.607 177.839 176.300 -0.113 0.000 0.972 222 D CA 0.524 54.579 54.000 0.092 0.000 0.887 222 D CB -0.216 40.727 40.800 0.237 0.000 0.915 222 D HN 0.349 nan 8.370 nan 0.000 0.497 223 L N 0.280 121.214 121.223 -0.480 0.000 2.200 223 L HA 0.106 3.818 4.340 -1.046 0.000 0.200 223 L C 0.870 177.567 176.870 -0.288 0.000 1.072 223 L CA 1.422 55.833 54.840 -0.715 0.000 0.787 223 L CB 0.242 41.388 42.059 -1.521 0.000 0.957 223 L HN -0.174 nan 8.230 nan 0.000 0.459 224 E N -1.713 118.370 120.200 -0.196 0.000 2.876 224 E HA 0.023 3.745 4.350 -1.046 0.000 0.208 224 E C 0.954 177.537 176.600 -0.029 0.000 0.981 224 E CA -0.104 56.284 56.400 -0.021 0.000 1.174 224 E CB 0.668 30.369 29.700 0.003 0.000 1.047 224 E HN 0.248 nan 8.360 nan 0.000 0.477 225 Q N 1.444 121.227 119.800 -0.029 0.000 2.135 225 Q HA -0.191 3.521 4.340 -1.046 0.000 0.204 225 Q C 2.125 178.112 176.000 -0.021 0.000 0.981 225 Q CA 2.431 58.223 55.803 -0.017 0.000 0.856 225 Q CB -0.146 28.599 28.738 0.010 0.000 0.902 225 Q HN 0.292 nan 8.270 nan 0.000 0.425 226 S N -1.556 114.143 115.700 -0.001 0.000 2.402 226 S HA -0.099 3.743 4.470 -1.046 0.000 0.229 226 S C 2.076 176.659 174.600 -0.028 0.000 1.021 226 S CA 1.208 59.407 58.200 -0.002 0.000 0.974 226 S CB -0.459 62.751 63.200 0.016 0.000 0.800 226 S HN 0.331 nan 8.310 nan 0.000 0.484 227 S N 1.926 117.605 115.700 -0.034 0.000 2.368 227 S HA 0.131 3.974 4.470 -1.046 0.000 0.224 227 S C 1.761 176.282 174.600 -0.132 0.000 1.029 227 S CA 1.300 59.460 58.200 -0.066 0.000 0.988 227 S CB -0.514 62.656 63.200 -0.050 0.000 0.838 227 S HN 0.537 nan 8.310 nan 0.000 0.462 228 I N 1.814 122.285 120.570 -0.164 0.000 2.226 228 I HA -0.203 3.339 4.170 -1.046 0.000 0.245 228 I C 1.961 177.832 176.117 -0.410 0.000 1.100 228 I CA 1.148 62.251 61.300 -0.328 0.000 1.374 228 I CB -0.419 37.410 38.000 -0.285 0.000 1.057 228 I HN 0.181 nan 8.210 nan 0.000 0.413 229 D N 1.126 121.424 120.400 -0.170 0.000 2.117 229 D HA -0.136 3.876 4.640 -1.046 0.000 0.197 229 D C 2.276 178.568 176.300 -0.014 0.000 0.987 229 D CA 1.537 55.517 54.000 -0.034 0.000 0.829 229 D CB -0.211 40.606 40.800 0.029 0.000 0.961 229 D HN 0.337 nan 8.370 nan 0.000 0.460 230 A N 0.906 123.701 122.820 -0.041 0.000 1.908 230 A HA -0.145 3.547 4.320 -1.046 0.000 0.218 230 A C 2.418 180.003 177.584 0.002 0.000 1.181 230 A CA 0.973 53.003 52.037 -0.011 0.000 0.627 230 A CB -0.813 18.166 19.000 -0.036 0.000 0.818 230 A HN 0.198 nan 8.150 nan 0.000 0.445 231 L N -1.929 119.244 121.223 -0.084 0.000 2.017 231 L HA -0.222 3.490 4.340 -1.046 0.000 0.208 231 L C 2.657 179.569 176.870 0.070 0.000 1.073 231 L CA 1.490 56.294 54.840 -0.059 0.000 0.745 231 L CB -0.750 41.200 42.059 -0.183 0.000 0.894 231 L HN 0.433 nan 8.230 nan 0.000 0.432 232 Y N -0.143 120.174 120.300 0.027 0.000 2.145 232 Y HA -0.304 3.618 4.550 -1.047 0.000 0.286 232 Y C 2.576 178.493 175.900 0.028 0.000 1.145 232 Y CA 1.161 59.271 58.100 0.018 0.000 1.148 232 Y CB -0.923 37.536 38.460 -0.001 0.000 0.981 232 Y HN 0.315 nan 8.280 nan 0.000 0.507 233 D N -1.048 119.476 120.400 0.207 0.000 2.263 233 D HA -0.224 3.788 4.640 -1.046 0.000 0.208 233 D C 1.919 178.287 176.300 0.114 0.000 0.971 233 D CA 1.126 55.202 54.000 0.127 0.000 0.867 233 D CB -0.139 40.722 40.800 0.101 0.000 0.929 233 D HN 0.495 nan 8.370 nan 0.000 0.492 234 H N -0.696 118.398 119.070 0.040 0.000 2.520 234 H HA 0.039 3.965 4.556 -1.051 0.000 0.279 234 H C -0.399 174.942 175.328 0.022 0.000 0.990 234 H CA 0.718 56.778 56.048 0.019 0.000 1.288 234 H CB 0.705 30.467 29.762 0.000 0.000 1.446 234 H HN 0.029 nan 8.280 nan 0.000 0.538 235 D N 0.298 120.725 120.400 0.045 0.000 2.616 235 D HA 0.009 4.021 4.640 -1.046 0.000 0.238 235 D C 0.607 176.938 176.300 0.053 0.000 1.354 235 D CA -0.350 53.646 54.000 -0.007 0.000 0.970 235 D CB 1.235 42.084 40.800 0.081 0.000 1.369 235 D HN 0.490 nan 8.370 nan 0.000 0.585 236 E N 2.330 122.536 120.200 0.010 0.000 2.338 236 E HA -0.099 3.623 4.350 -1.046 0.000 0.197 236 E C 0.696 177.307 176.600 0.018 0.000 1.007 236 E CA 0.627 57.035 56.400 0.013 0.000 0.849 236 E CB 0.142 29.834 29.700 -0.013 0.000 0.774 236 E HN 0.305 nan 8.360 nan 0.000 0.506 237 K N 0.742 121.156 120.400 0.023 0.000 2.486 237 K HA 0.113 3.805 4.320 -1.046 0.000 0.194 237 K C 0.455 177.085 176.600 0.049 0.000 1.033 237 K CA 0.202 56.504 56.287 0.025 0.000 1.004 237 K CB 0.046 32.556 32.500 0.017 0.000 0.798 237 K HN 0.237 nan 8.250 nan 0.000 0.495 238 I N 4.447 125.068 120.570 0.084 0.000 2.517 238 I HA 0.033 3.575 4.170 -1.046 0.000 0.285 238 I C -1.755 174.440 176.117 0.129 0.000 1.106 238 I CA -1.938 59.434 61.300 0.119 0.000 1.402 238 I CB 0.295 38.392 38.000 0.163 0.000 1.399 238 I HN -0.055 nan 8.210 nan 0.000 0.535 239 P HA 0.210 nan 4.420 nan 0.000 0.273 239 P C -2.605 174.782 177.300 0.145 0.000 1.250 239 P CA -1.401 61.751 63.100 0.086 0.000 0.793 239 P CB -0.488 31.247 31.700 0.058 0.000 1.011 240 P HA 0.147 nan 4.420 nan 0.000 0.266 240 P C -0.350 176.946 177.300 -0.006 0.000 1.195 240 P CA 0.742 63.847 63.100 0.009 0.000 0.768 240 P CB 0.144 31.762 31.700 -0.137 0.000 0.838 241 I N 3.491 124.049 120.570 -0.020 0.000 2.378 241 I HA 0.295 3.837 4.170 -1.046 0.000 0.291 241 I C -0.456 175.546 176.117 -0.192 0.000 0.992 241 I CA -0.685 60.589 61.300 -0.044 0.000 1.154 241 I CB 0.972 38.927 38.000 -0.075 0.000 1.315 241 I HN 0.295 nan 8.210 nan 0.000 0.448 242 Y N 4.805 125.171 120.300 0.110 0.000 2.334 242 Y HA 0.587 4.508 4.550 -1.048 0.000 0.336 242 Y C 0.385 176.334 175.900 0.082 0.000 0.960 242 Y CA -0.920 57.248 58.100 0.112 0.000 1.164 242 Y CB 1.655 40.197 38.460 0.138 0.000 1.155 242 Y HN 0.579 nan 8.280 nan 0.000 0.478 243 A N 2.896 125.832 122.820 0.193 0.000 2.316 243 A HA 0.492 4.184 4.320 -1.046 0.000 0.311 243 A C 0.576 178.281 177.584 0.201 0.000 1.339 243 A CA -0.410 51.723 52.037 0.161 0.000 0.960 243 A CB -0.272 18.802 19.000 0.124 0.000 1.152 243 A HN 0.893 nan 8.150 nan 0.000 0.547 244 V N 1.220 121.255 119.914 0.201 0.000 3.276 244 V HA 0.510 4.002 4.120 -1.046 0.000 0.319 244 V C 0.706 176.928 176.094 0.212 0.000 1.427 244 V CA 0.401 62.831 62.300 0.218 0.000 1.102 244 V CB -0.367 31.621 31.823 0.276 0.000 1.020 244 V HN 0.769 nan 8.190 nan 0.000 0.456 245 G N 0.945 109.878 108.800 0.222 0.000 2.568 245 G HA2 0.655 3.988 3.960 -1.046 0.000 0.293 245 G HA3 0.655 3.988 3.960 -1.046 0.000 0.293 245 G C -3.109 171.906 174.900 0.190 0.000 1.347 245 G CA -1.936 43.293 45.100 0.216 0.000 1.039 245 G HN 0.314 nan 8.290 nan 0.000 0.523 246 P HA 0.250 nan 4.420 nan 0.000 0.276 246 P C -0.562 176.741 177.300 0.004 0.000 1.235 246 P CA -0.088 63.052 63.100 0.067 0.000 0.772 246 P CB 0.814 32.501 31.700 -0.021 0.000 0.871 247 L N 4.801 126.058 121.223 0.056 0.000 2.255 247 L HA 0.424 4.136 4.340 -1.046 0.000 0.289 247 L C -0.071 176.799 176.870 0.001 0.000 1.046 247 L CA -0.166 54.722 54.840 0.079 0.000 0.816 247 L CB 0.050 42.237 42.059 0.214 0.000 1.197 247 L HN 0.219 nan 8.230 nan 0.000 0.427 248 L N 2.480 123.641 121.223 -0.103 0.000 2.393 248 L HA 0.458 4.170 4.340 -1.046 0.000 0.260 248 L C -0.899 175.921 176.870 -0.084 0.000 1.002 248 L CA -0.779 53.977 54.840 -0.139 0.000 0.818 248 L CB 2.616 44.453 42.059 -0.371 0.000 1.369 248 L HN 0.349 nan 8.230 nan 0.000 0.412 249 D N 1.711 122.110 120.400 -0.002 0.000 2.467 249 D HA 0.293 4.305 4.640 -1.046 0.000 0.220 249 D C 0.536 176.857 176.300 0.036 0.000 1.103 249 D CA -0.215 53.818 54.000 0.055 0.000 0.886 249 D CB 0.884 41.781 40.800 0.162 0.000 1.025 249 D HN 0.406 nan 8.370 nan 0.000 0.514 250 L N 2.737 123.954 121.223 -0.009 0.000 2.610 250 L HA 0.034 3.746 4.340 -1.046 0.000 0.232 250 L C 1.644 178.569 176.870 0.091 0.000 1.149 250 L CA 0.407 55.269 54.840 0.037 0.000 0.872 250 L CB -0.127 41.931 42.059 -0.002 0.000 0.992 250 L HN 0.218 nan 8.230 nan 0.000 0.447 251 K N 0.248 120.702 120.400 0.089 0.000 2.335 251 K HA 0.304 3.996 4.320 -1.046 0.000 0.195 251 K C 0.958 177.634 176.600 0.127 0.000 1.058 251 K CA 0.710 57.055 56.287 0.096 0.000 0.988 251 K CB 0.304 32.852 32.500 0.080 0.000 0.880 251 K HN 0.191 nan 8.250 nan 0.000 0.513 252 G N 2.279 111.174 108.800 0.159 0.000 2.731 252 G HA2 -0.276 3.056 3.960 -1.046 0.000 0.686 252 G HA3 -0.276 3.056 3.960 -1.046 0.000 0.686 252 G C -0.670 174.390 174.900 0.266 0.000 1.395 252 G CA -0.434 44.785 45.100 0.200 0.000 0.870 252 G HN 0.278 nan 8.290 nan 0.000 0.591 253 Q N 1.785 121.763 119.800 0.297 0.000 2.317 253 Q HA 0.140 3.852 4.340 -1.046 0.000 0.286 253 Q C -0.864 175.282 176.000 0.243 0.000 1.198 253 Q CA -0.465 55.506 55.803 0.279 0.000 0.973 253 Q CB 0.407 29.193 28.738 0.081 0.000 1.207 253 Q HN 0.339 nan 8.270 nan 0.000 0.416 254 P HA -0.170 nan 4.420 nan 0.000 0.214 254 P C -0.670 176.661 177.300 0.051 0.000 1.163 254 P CA 1.285 64.449 63.100 0.105 0.000 0.883 254 P CB 0.110 31.859 31.700 0.082 0.000 0.788 255 N N -0.517 118.218 118.700 0.059 0.000 2.525 255 N HA 0.222 4.334 4.740 -1.046 0.000 0.271 255 N C -2.715 172.710 175.510 -0.142 0.000 1.194 255 N CA -2.090 50.941 53.050 -0.030 0.000 0.964 255 N CB -1.196 37.281 38.487 -0.016 0.000 1.126 255 N HN -0.058 nan 8.380 nan 0.000 0.452 256 P HA 0.021 nan 4.420 nan 0.000 0.264 256 P C -0.845 176.412 177.300 -0.072 0.000 1.229 256 P CA 0.031 63.049 63.100 -0.136 0.000 0.780 256 P CB 0.063 31.669 31.700 -0.157 0.000 0.808 257 K N 3.816 124.183 120.400 -0.055 0.000 2.268 257 K HA 0.353 4.045 4.320 -1.046 0.000 0.276 257 K C -0.623 175.956 176.600 -0.036 0.000 1.080 257 K CA -0.539 55.722 56.287 -0.042 0.000 0.910 257 K CB 0.548 33.027 32.500 -0.036 0.000 1.163 257 K HN 0.168 nan 8.250 nan 0.000 0.465 258 L N 3.213 124.420 121.223 -0.027 0.000 2.783 258 L HA 0.197 3.909 4.340 -1.046 0.000 0.265 258 L C -0.679 176.186 176.870 -0.007 0.000 1.398 258 L CA -0.076 54.753 54.840 -0.018 0.000 0.802 258 L CB -0.640 41.410 42.059 -0.015 0.000 1.126 258 L HN 0.794 nan 8.230 nan 0.000 0.529 259 D N 0.157 120.549 120.400 -0.013 0.000 2.978 259 D HA -0.263 3.749 4.640 -1.046 0.000 0.205 259 D C 0.224 176.531 176.300 0.012 0.000 1.093 259 D CA 1.266 55.264 54.000 -0.004 0.000 1.006 259 D CB -0.617 40.185 40.800 0.004 0.000 1.116 259 D HN 0.638 nan 8.370 nan 0.000 0.419 260 Q N -2.672 117.135 119.800 0.012 0.000 2.451 260 Q HA -0.226 3.486 4.340 -1.046 0.000 0.334 260 Q C 0.943 177.014 176.000 0.117 0.000 1.462 260 Q CA 0.498 56.343 55.803 0.070 0.000 0.876 260 Q CB -1.461 27.301 28.738 0.040 0.000 1.125 260 Q HN 0.530 nan 8.270 nan 0.000 0.358 261 A N 0.911 123.780 122.820 0.082 0.000 1.826 261 A HA -0.215 3.477 4.320 -1.046 0.000 0.214 261 A C 1.791 179.420 177.584 0.075 0.000 1.212 261 A CA 1.726 53.801 52.037 0.063 0.000 0.605 261 A CB -0.335 18.688 19.000 0.038 0.000 0.861 261 A HN 0.501 nan 8.150 nan 0.000 0.447 262 Q N -0.585 119.262 119.800 0.078 0.000 2.124 262 Q HA -0.213 3.499 4.340 -1.046 0.000 0.202 262 Q C 1.760 177.813 176.000 0.089 0.000 0.977 262 Q CA 2.507 58.351 55.803 0.068 0.000 0.850 262 Q CB -0.688 28.094 28.738 0.072 0.000 0.901 262 Q HN 0.850 nan 8.270 nan 0.000 0.429 263 H N 0.180 119.277 119.070 0.045 0.000 2.257 263 H HA -0.166 3.762 4.556 -1.047 0.000 0.292 263 H C 1.307 176.654 175.328 0.032 0.000 1.075 263 H CA 2.561 58.638 56.048 0.048 0.000 1.212 263 H CB -0.380 29.415 29.762 0.056 0.000 1.354 263 H HN 0.341 nan 8.280 nan 0.000 0.497 264 D N -0.111 120.323 120.400 0.056 0.000 2.158 264 D HA -0.152 3.860 4.640 -1.046 0.000 0.197 264 D C 2.343 178.618 176.300 -0.042 0.000 0.995 264 D CA 1.054 55.048 54.000 -0.011 0.000 0.846 264 D CB -0.522 40.325 40.800 0.077 0.000 0.941 264 D HN 0.302 nan 8.370 nan 0.000 0.456 265 L N 0.610 121.825 121.223 -0.013 0.000 2.042 265 L HA -0.147 3.566 4.340 -1.046 0.000 0.210 265 L C 2.138 179.004 176.870 -0.008 0.000 1.076 265 L CA 1.365 56.201 54.840 -0.006 0.000 0.749 265 L CB -0.397 41.656 42.059 -0.010 0.000 0.893 265 L HN 0.056 nan 8.230 nan 0.000 0.432 266 I N -1.372 119.164 120.570 -0.056 0.000 2.142 266 I HA -0.336 3.206 4.170 -1.046 0.000 0.240 266 I C 2.317 178.400 176.117 -0.055 0.000 1.078 266 I CA 1.350 62.616 61.300 -0.056 0.000 1.343 266 I CB -0.374 37.562 38.000 -0.106 0.000 1.046 266 I HN 0.215 nan 8.210 nan 0.000 0.405 267 L N 0.330 121.456 121.223 -0.161 0.000 2.083 267 L HA -0.186 3.526 4.340 -1.046 0.000 0.209 267 L C 2.604 179.434 176.870 -0.067 0.000 1.083 267 L CA 1.015 55.770 54.840 -0.143 0.000 0.752 267 L CB -0.647 41.309 42.059 -0.172 0.000 0.899 267 L HN 0.197 nan 8.230 nan 0.000 0.433 268 K N -0.589 119.794 120.400 -0.028 0.000 2.057 268 K HA -0.212 3.480 4.320 -1.046 0.000 0.206 268 K C 1.746 178.336 176.600 -0.017 0.000 1.050 268 K CA 1.284 57.565 56.287 -0.010 0.000 0.935 268 K CB -0.744 31.759 32.500 0.006 0.000 0.715 268 K HN 0.371 nan 8.250 nan 0.000 0.439 269 W N 2.067 123.281 121.300 -0.142 0.000 2.335 269 W HA -0.145 3.888 4.660 -1.046 0.000 0.311 269 W C 1.750 178.154 176.519 -0.192 0.000 1.213 269 W CA 1.391 58.642 57.345 -0.157 0.000 1.274 269 W CB -0.357 29.005 29.460 -0.164 0.000 1.148 269 W HN -0.052 nan 8.180 nan 0.000 0.498 270 L N 0.211 121.316 121.223 -0.197 0.000 2.083 270 L HA -0.227 3.485 4.340 -1.046 0.000 0.209 270 L C 2.186 178.765 176.870 -0.484 0.000 1.083 270 L CA 1.559 56.075 54.840 -0.540 0.000 0.752 270 L CB -0.925 40.651 42.059 -0.804 0.000 0.899 270 L HN -0.094 nan 8.230 nan 0.000 0.433 271 D N 0.219 120.491 120.400 -0.214 0.000 2.182 271 D HA -0.185 3.827 4.640 -1.046 0.000 0.201 271 D C 1.941 178.164 176.300 -0.128 0.000 0.986 271 D CA 1.164 55.161 54.000 -0.004 0.000 0.847 271 D CB -0.013 40.803 40.800 0.025 0.000 0.942 271 D HN 0.487 nan 8.370 nan 0.000 0.467 272 E N 0.137 120.176 120.200 -0.267 0.000 2.358 272 E HA -0.046 3.676 4.350 -1.046 0.000 0.195 272 E C 0.506 176.894 176.600 -0.355 0.000 1.010 272 E CA 0.250 56.473 56.400 -0.295 0.000 0.856 272 E CB 0.252 29.748 29.700 -0.340 0.000 0.795 272 E HN 0.245 nan 8.360 nan 0.000 0.504 273 Q N 0.880 120.402 119.800 -0.465 0.000 2.260 273 Q HA 0.274 3.987 4.340 -1.046 0.000 0.238 273 Q C -2.246 173.624 176.000 -0.216 0.000 0.948 273 Q CA -2.369 53.184 55.803 -0.417 0.000 0.895 273 Q CB -0.172 28.212 28.738 -0.589 0.000 1.218 273 Q HN -0.060 nan 8.270 nan 0.000 0.470 274 P HA 0.019 nan 4.420 nan 0.000 0.269 274 P C -0.792 176.475 177.300 -0.054 0.000 1.209 274 P CA -0.157 62.892 63.100 -0.085 0.000 0.776 274 P CB 0.454 32.116 31.700 -0.063 0.000 0.876 275 D N 3.057 123.441 120.400 -0.027 0.000 2.488 275 D HA -0.026 3.986 4.640 -1.046 0.000 0.238 275 D C 0.777 177.086 176.300 0.015 0.000 1.138 275 D CA 0.520 54.519 54.000 -0.001 0.000 0.873 275 D CB 0.120 40.917 40.800 -0.004 0.000 1.183 275 D HN 0.309 nan 8.370 nan 0.000 0.458 276 K N 0.206 120.629 120.400 0.038 0.000 3.193 276 K HA -0.198 3.494 4.320 -1.046 0.000 0.294 276 K C 0.906 177.548 176.600 0.070 0.000 1.185 276 K CA 1.052 57.377 56.287 0.064 0.000 0.866 276 K CB -2.177 30.364 32.500 0.067 0.000 1.227 276 K HN 0.557 nan 8.250 nan 0.000 0.467 277 S N -1.514 114.213 115.700 0.045 0.000 2.517 277 S HA 0.156 3.999 4.470 -1.046 0.000 0.214 277 S C 0.806 175.464 174.600 0.097 0.000 0.991 277 S CA -0.078 58.154 58.200 0.054 0.000 0.906 277 S CB 0.480 63.684 63.200 0.007 0.000 0.789 277 S HN 0.055 nan 8.310 nan 0.000 0.513 278 V N 2.347 122.323 119.914 0.104 0.000 2.427 278 V HA 0.529 4.021 4.120 -1.046 0.000 0.286 278 V C -0.030 176.212 176.094 0.246 0.000 1.034 278 V CA -0.880 61.532 62.300 0.187 0.000 0.893 278 V CB 1.502 33.426 31.823 0.169 0.000 0.982 278 V HN 0.295 nan 8.190 nan 0.000 0.452 279 V N 6.555 126.662 119.914 0.322 0.000 2.383 279 V HA 0.524 4.016 4.120 -1.046 0.000 0.275 279 V C -0.758 175.589 176.094 0.421 0.000 1.036 279 V CA -0.351 62.147 62.300 0.330 0.000 0.889 279 V CB 0.974 32.967 31.823 0.284 0.000 0.985 279 V HN 0.670 nan 8.190 nan 0.000 0.459 280 F N 7.769 127.846 119.950 0.212 0.000 2.404 280 F HA 0.767 4.666 4.527 -1.046 0.000 0.339 280 F C -0.851 175.110 175.800 0.268 0.000 1.105 280 F CA -1.196 56.910 58.000 0.178 0.000 1.087 280 F CB 1.380 40.366 39.000 -0.023 0.000 1.143 280 F HN 0.412 nan 8.300 nan 0.000 0.491 281 L N 6.874 127.928 121.223 -0.282 0.000 2.349 281 L HA 0.532 4.244 4.340 -1.046 0.000 0.278 281 L C -0.992 175.478 176.870 -0.666 0.000 0.996 281 L CA -0.310 54.317 54.840 -0.355 0.000 0.825 281 L CB 1.610 43.611 42.059 -0.097 0.000 1.243 281 L HN 0.761 nan 8.230 nan 0.000 0.412 282 C N 3.408 122.192 119.300 -0.860 0.000 2.811 282 C HA 0.592 4.424 4.460 -1.046 0.000 0.352 282 C C -0.731 173.798 174.990 -0.768 0.000 1.098 282 C CA -0.690 57.946 59.018 -0.636 0.000 1.295 282 C CB 0.798 28.151 27.740 -0.645 0.000 1.758 282 C HN 0.710 nan 8.230 nan 0.000 0.488 283 F N 4.845 124.661 119.950 -0.223 0.000 2.798 283 F HA 0.551 4.450 4.527 -1.047 0.000 0.333 283 F C 1.145 176.480 175.800 -0.774 0.000 1.324 283 F CA 0.630 58.384 58.000 -0.409 0.000 1.183 283 F CB 0.345 39.117 39.000 -0.379 0.000 1.132 283 F HN 1.160 nan 8.300 nan 0.000 0.521 284 G N 0.927 109.244 108.800 -0.805 0.000 2.757 284 G HA2 -0.144 3.188 3.960 -1.046 0.000 0.638 284 G HA3 -0.144 3.188 3.960 -1.046 0.000 0.638 284 G C 0.445 175.288 174.900 -0.095 0.000 1.344 284 G CA -0.270 44.480 45.100 -0.584 0.000 0.855 284 G HN 0.600 nan 8.290 nan 0.000 0.537 285 S N -1.151 114.613 115.700 0.106 0.000 2.578 285 S HA 0.274 4.117 4.470 -1.046 0.000 0.231 285 S C 1.864 176.571 174.600 0.178 0.000 0.994 285 S CA 0.795 59.163 58.200 0.279 0.000 0.956 285 S CB 0.276 63.729 63.200 0.422 0.000 0.870 285 S HN 0.545 nan 8.310 nan 0.000 0.494 286 M N 1.246 120.902 119.600 0.093 0.000 2.492 286 M HA 0.217 4.069 4.480 -1.046 0.000 0.262 286 M C 2.035 178.307 176.300 -0.046 0.000 1.090 286 M CA 1.176 56.455 55.300 -0.035 0.000 1.110 286 M CB -1.615 30.888 32.600 -0.161 0.000 1.407 286 M HN 0.690 nan 8.290 nan 0.000 0.470 287 G N 0.104 108.911 108.800 0.011 0.000 2.253 287 G HA2 -0.225 3.107 3.960 -1.046 0.000 0.251 287 G HA3 -0.225 3.107 3.960 -1.046 0.000 0.251 287 G C 0.301 175.173 174.900 -0.046 0.000 0.998 287 G CA 0.235 45.338 45.100 0.006 0.000 0.621 287 G HN 0.355 nan 8.290 nan 0.000 0.524 288 V N 2.187 122.047 119.914 -0.091 0.000 2.439 288 V HA 0.517 4.009 4.120 -1.046 0.000 0.271 288 V C 1.084 177.078 176.094 -0.166 0.000 1.040 288 V CA 0.591 62.823 62.300 -0.113 0.000 1.002 288 V CB 1.196 32.943 31.823 -0.126 0.000 1.000 288 V HN 0.633 nan 8.190 nan 0.000 0.477 289 S N 5.333 120.949 115.700 -0.140 0.000 2.584 289 S HA 0.535 4.377 4.470 -1.046 0.000 0.273 289 S C -0.154 174.353 174.600 -0.156 0.000 1.311 289 S CA -0.615 57.478 58.200 -0.177 0.000 1.034 289 S CB 0.260 63.404 63.200 -0.094 0.000 0.939 289 S HN 0.327 nan 8.310 nan 0.000 0.513 290 F N 2.249 122.093 119.950 -0.176 0.000 2.586 290 F HA 0.323 4.222 4.527 -1.047 0.000 0.335 290 F C 1.701 177.435 175.800 -0.110 0.000 1.210 290 F CA 0.807 58.708 58.000 -0.166 0.000 1.359 290 F CB -0.099 38.730 39.000 -0.285 0.000 1.142 290 F HN 0.728 nan 8.300 nan 0.000 0.606 291 G N 1.405 110.300 108.800 0.159 0.000 2.606 291 G HA2 0.266 3.599 3.960 -1.046 0.000 0.252 291 G HA3 0.266 3.599 3.960 -1.046 0.000 0.252 291 G C -1.979 172.919 174.900 -0.004 0.000 1.206 291 G CA -0.986 44.145 45.100 0.052 0.000 0.861 291 G HN 0.420 nan 8.290 nan 0.000 0.561 292 P HA -0.169 nan 4.420 nan 0.000 0.215 292 P C 2.261 179.508 177.300 -0.089 0.000 1.163 292 P CA 2.011 65.054 63.100 -0.095 0.000 0.894 292 P CB 0.121 31.776 31.700 -0.076 0.000 0.791 293 S N -0.725 114.943 115.700 -0.054 0.000 2.353 293 S HA -0.260 3.582 4.470 -1.046 0.000 0.222 293 S C 2.095 176.657 174.600 -0.064 0.000 1.035 293 S CA 1.726 59.895 58.200 -0.051 0.000 1.025 293 S CB -1.038 62.145 63.200 -0.029 0.000 0.902 293 S HN 0.201 nan 8.310 nan 0.000 0.440 294 Q N 0.931 120.697 119.800 -0.056 0.000 2.124 294 Q HA -0.031 3.681 4.340 -1.046 0.000 0.202 294 Q C 1.884 177.804 176.000 -0.135 0.000 0.977 294 Q CA 1.289 57.027 55.803 -0.108 0.000 0.850 294 Q CB -0.403 28.246 28.738 -0.149 0.000 0.901 294 Q HN 0.400 nan 8.270 nan 0.000 0.429 295 I N 0.197 120.716 120.570 -0.084 0.000 2.226 295 I HA -0.247 3.295 4.170 -1.046 0.000 0.245 295 I C 2.174 178.275 176.117 -0.026 0.000 1.100 295 I CA 1.449 62.740 61.300 -0.014 0.000 1.374 295 I CB -0.812 37.066 38.000 -0.204 0.000 1.057 295 I HN 0.299 nan 8.210 nan 0.000 0.413 296 R N 0.372 120.803 120.500 -0.115 0.000 2.096 296 R HA -0.143 3.569 4.340 -1.046 0.000 0.235 296 R C 2.117 178.346 176.300 -0.120 0.000 1.127 296 R CA 0.975 57.006 56.100 -0.115 0.000 0.968 296 R CB -0.081 30.161 30.300 -0.098 0.000 0.861 296 R HN 0.351 nan 8.270 nan 0.000 0.440 297 E N 0.583 120.716 120.200 -0.111 0.000 2.106 297 E HA -0.134 3.588 4.350 -1.046 0.000 0.192 297 E C 2.033 178.540 176.600 -0.155 0.000 0.984 297 E CA 0.949 57.277 56.400 -0.120 0.000 0.806 297 E CB -0.034 29.606 29.700 -0.101 0.000 0.750 297 E HN 0.404 nan 8.360 nan 0.000 0.458 298 I N 1.030 121.491 120.570 -0.182 0.000 2.252 298 I HA -0.227 3.315 4.170 -1.046 0.000 0.245 298 I C 2.490 178.346 176.117 -0.434 0.000 1.102 298 I CA 0.941 62.045 61.300 -0.327 0.000 1.385 298 I CB -0.318 37.379 38.000 -0.504 0.000 1.064 298 I HN -0.011 nan 8.210 nan 0.000 0.414 299 A N 0.799 123.429 122.820 -0.317 0.000 1.877 299 A HA -0.230 3.463 4.320 -1.046 0.000 0.216 299 A C 2.249 179.614 177.584 -0.366 0.000 1.186 299 A CA 1.622 53.355 52.037 -0.507 0.000 0.620 299 A CB -0.841 17.654 19.000 -0.842 0.000 0.822 299 A HN 0.371 nan 8.150 nan 0.000 0.443 300 L N 0.128 121.204 121.223 -0.245 0.000 2.017 300 L HA 0.002 3.715 4.340 -1.046 0.000 0.208 300 L C 2.430 179.253 176.870 -0.078 0.000 1.073 300 L CA 2.362 57.124 54.840 -0.130 0.000 0.745 300 L CB -1.213 40.772 42.059 -0.123 0.000 0.894 300 L HN 0.311 nan 8.230 nan 0.000 0.432 301 G N -0.323 108.408 108.800 -0.114 0.000 2.476 301 G HA2 -0.275 3.057 3.960 -1.046 0.000 0.218 301 G HA3 -0.275 3.057 3.960 -1.046 0.000 0.218 301 G C 1.631 176.505 174.900 -0.043 0.000 1.164 301 G CA 1.254 46.309 45.100 -0.074 0.000 0.768 301 G HN 0.439 nan 8.290 nan 0.000 0.560 302 L N 0.044 121.186 121.223 -0.135 0.000 1.994 302 L HA -0.070 3.642 4.340 -1.046 0.000 0.208 302 L C 2.839 179.797 176.870 0.146 0.000 1.071 302 L CA 1.784 56.553 54.840 -0.118 0.000 0.745 302 L CB -0.370 41.343 42.059 -0.576 0.000 0.892 302 L HN 0.224 nan 8.230 nan 0.000 0.431 303 K N -0.721 119.780 120.400 0.168 0.000 2.032 303 K HA -0.275 3.417 4.320 -1.046 0.000 0.209 303 K C 2.240 178.862 176.600 0.036 0.000 1.048 303 K CA 1.765 58.078 56.287 0.043 0.000 0.927 303 K CB -0.133 32.225 32.500 -0.238 0.000 0.712 303 K HN 0.238 nan 8.250 nan 0.000 0.441 304 H N 0.110 119.155 119.070 -0.042 0.000 2.423 304 H HA -0.045 3.883 4.556 -1.046 0.000 0.297 304 H C 2.065 177.409 175.328 0.026 0.000 1.075 304 H CA 1.912 57.945 56.048 -0.025 0.000 1.342 304 H CB -0.063 29.675 29.762 -0.040 0.000 1.395 304 H HN 0.352 nan 8.280 nan 0.000 0.530 305 S N -1.252 114.496 115.700 0.081 0.000 2.399 305 S HA -0.041 3.801 4.470 -1.046 0.000 0.231 305 S C 2.122 176.763 174.600 0.068 0.000 1.022 305 S CA 1.171 59.407 58.200 0.060 0.000 0.983 305 S CB -0.503 62.750 63.200 0.088 0.000 0.803 305 S HN 0.773 nan 8.310 nan 0.000 0.480 306 G N 0.354 109.234 108.800 0.133 0.000 2.199 306 G HA2 -0.273 3.059 3.960 -1.046 0.000 0.254 306 G HA3 -0.273 3.059 3.960 -1.046 0.000 0.254 306 G C 0.294 175.334 174.900 0.234 0.000 0.982 306 G CA 0.369 45.572 45.100 0.172 0.000 0.632 306 G HN 1.673 nan 8.290 nan 0.000 0.529 307 V N -1.319 118.752 119.914 0.260 0.000 3.003 307 V HA 0.723 4.216 4.120 -1.046 0.000 0.305 307 V C 0.848 177.183 176.094 0.402 0.000 1.078 307 V CA -0.869 61.599 62.300 0.280 0.000 1.083 307 V CB 0.873 32.850 31.823 0.257 0.000 1.039 307 V HN 0.411 nan 8.190 nan 0.000 0.481 308 R N 2.585 123.270 120.500 0.309 0.000 2.531 308 R HA 0.690 4.402 4.340 -1.046 0.000 0.273 308 R C -0.715 175.850 176.300 0.441 0.000 1.070 308 R CA -0.093 56.178 56.100 0.286 0.000 1.112 308 R CB 1.132 31.528 30.300 0.159 0.000 1.049 308 R HN 0.887 nan 8.270 nan 0.000 0.508 309 F N -0.418 119.773 119.950 0.402 0.000 2.678 309 F HA 0.491 4.391 4.527 -1.046 0.000 0.308 309 F C -1.903 174.034 175.800 0.228 0.000 1.118 309 F CA -1.535 56.666 58.000 0.336 0.000 0.959 309 F CB 1.006 40.171 39.000 0.274 0.000 1.305 309 F HN 0.232 nan 8.300 nan 0.000 0.443 310 L N 3.519 125.044 121.223 0.503 0.000 2.377 310 L HA 0.532 4.244 4.340 -1.046 0.000 0.270 310 L C -2.066 175.146 176.870 0.571 0.000 0.991 310 L CA -0.583 54.451 54.840 0.323 0.000 0.851 310 L CB 1.228 43.494 42.059 0.345 0.000 1.218 310 L HN 0.813 nan 8.230 nan 0.000 0.420 311 W N 5.187 126.680 121.300 0.322 0.000 2.294 311 W HA 0.575 4.606 4.660 -1.047 0.000 0.314 311 W C -0.614 176.006 176.519 0.167 0.000 1.044 311 W CA -1.168 56.327 57.345 0.251 0.000 1.284 311 W CB 1.457 31.112 29.460 0.325 0.000 1.231 311 W HN 0.637 nan 8.180 nan 0.000 0.419 312 S N 7.353 123.277 115.700 0.373 0.000 2.465 312 S HA 0.528 4.370 4.470 -1.046 0.000 0.279 312 S C -0.182 174.505 174.600 0.145 0.000 1.201 312 S CA -0.278 58.018 58.200 0.161 0.000 1.053 312 S CB -0.318 62.932 63.200 0.083 0.000 0.953 312 S HN 0.647 nan 8.310 nan 0.000 0.488 313 N N 1.854 120.539 118.700 -0.025 0.000 3.020 313 N HA 0.224 4.336 4.740 -1.046 0.000 0.248 313 N C -1.071 174.418 175.510 -0.034 0.000 1.480 313 N CA -0.686 52.338 53.050 -0.043 0.000 0.874 313 N CB 1.043 39.375 38.487 -0.260 0.000 1.433 313 N HN 0.469 nan 8.380 nan 0.000 0.530 314 S N -1.716 113.967 115.700 -0.029 0.000 2.741 314 S HA 0.516 4.358 4.470 -1.046 0.000 0.247 314 S C 0.236 174.818 174.600 -0.029 0.000 1.050 314 S CA -0.480 57.714 58.200 -0.010 0.000 1.025 314 S CB -0.311 62.891 63.200 0.004 0.000 0.897 314 S HN 0.850 nan 8.310 nan 0.000 0.508 315 A N 1.527 124.314 122.820 -0.055 0.000 2.351 315 A HA 0.508 4.200 4.320 -1.046 0.000 0.257 315 A C 0.342 177.917 177.584 -0.015 0.000 1.087 315 A CA -0.493 51.483 52.037 -0.102 0.000 0.798 315 A CB 0.196 19.010 19.000 -0.310 0.000 1.033 315 A HN 0.619 nan 8.150 nan 0.000 0.488 316 E N 0.854 121.032 120.200 -0.037 0.000 2.383 316 E HA 0.080 3.803 4.350 -1.046 0.000 0.264 316 E C 0.294 176.966 176.600 0.120 0.000 1.050 316 E CA -0.644 55.774 56.400 0.030 0.000 0.896 316 E CB 0.623 30.325 29.700 0.004 0.000 0.982 316 E HN 0.482 nan 8.360 nan 0.000 0.424 317 K N 2.211 122.723 120.400 0.187 0.000 2.211 317 K HA -0.189 3.503 4.320 -1.046 0.000 0.204 317 K C 1.757 178.537 176.600 0.300 0.000 1.047 317 K CA 1.363 57.836 56.287 0.310 0.000 0.935 317 K CB -0.184 32.408 32.500 0.154 0.000 0.728 317 K HN 0.495 nan 8.250 nan 0.000 0.452 318 K N 0.394 120.881 120.400 0.145 0.000 2.362 318 K HA -0.007 3.685 4.320 -1.046 0.000 0.200 318 K C 1.731 178.370 176.600 0.065 0.000 1.046 318 K CA 0.763 57.111 56.287 0.102 0.000 0.952 318 K CB -0.103 32.428 32.500 0.052 0.000 0.753 318 K HN -0.195 nan 8.250 nan 0.000 0.466 319 V N 1.275 121.178 119.914 -0.018 0.000 2.548 319 V HA -0.051 3.442 4.120 -1.046 0.000 0.249 319 V C 0.847 176.832 176.094 -0.182 0.000 1.055 319 V CA 0.728 62.933 62.300 -0.159 0.000 1.065 319 V CB -0.656 30.975 31.823 -0.319 0.000 0.681 319 V HN 0.143 nan 8.190 nan 0.000 0.462 320 F N 0.753 120.724 119.950 0.036 0.000 2.545 320 F HA 0.232 4.131 4.527 -1.046 0.000 0.348 320 F C -1.539 174.301 175.800 0.068 0.000 1.163 320 F CA -2.086 55.947 58.000 0.055 0.000 1.331 320 F CB -0.870 38.249 39.000 0.199 0.000 1.138 320 F HN -0.011 nan 8.300 nan 0.000 0.602 321 P HA -0.003 nan 4.420 nan 0.000 0.267 321 P C -0.824 176.616 177.300 0.232 0.000 1.200 321 P CA -0.047 63.142 63.100 0.148 0.000 0.772 321 P CB 0.354 32.099 31.700 0.075 0.000 0.855 322 E N 1.344 121.638 120.200 0.157 0.000 2.452 322 E HA 0.184 3.906 4.350 -1.046 0.000 0.261 322 E C 1.288 177.998 176.600 0.184 0.000 0.987 322 E CA 0.803 57.296 56.400 0.155 0.000 0.926 322 E CB -0.163 29.597 29.700 0.100 0.000 0.934 322 E HN 0.786 nan 8.360 nan 0.000 0.452 323 G N 2.770 111.685 108.800 0.192 0.000 2.253 323 G HA2 -0.378 2.954 3.960 -1.046 0.000 0.251 323 G HA3 -0.378 2.954 3.960 -1.046 0.000 0.251 323 G C 0.572 175.646 174.900 0.289 0.000 0.998 323 G CA 0.389 45.608 45.100 0.199 0.000 0.621 323 G HN 0.587 nan 8.290 nan 0.000 0.524 324 F N 1.479 121.545 119.950 0.192 0.000 2.075 324 F HA 0.152 4.051 4.527 -1.046 0.000 0.297 324 F C 2.656 178.624 175.800 0.280 0.000 1.113 324 F CA 2.315 60.480 58.000 0.275 0.000 1.218 324 F CB -0.476 38.695 39.000 0.284 0.000 0.984 324 F HN 0.201 nan 8.300 nan 0.000 0.472 325 L N -0.082 121.209 121.223 0.112 0.000 2.042 325 L HA -0.234 3.478 4.340 -1.046 0.000 0.210 325 L C 2.360 179.182 176.870 -0.080 0.000 1.076 325 L CA 1.872 56.654 54.840 -0.095 0.000 0.749 325 L CB -0.916 41.127 42.059 -0.028 0.000 0.893 325 L HN 0.199 nan 8.230 nan 0.000 0.432 326 E N -0.757 119.462 120.200 0.030 0.000 2.077 326 E HA -0.275 3.447 4.350 -1.046 0.000 0.193 326 E C 1.878 178.503 176.600 0.041 0.000 0.989 326 E CA 1.560 57.980 56.400 0.032 0.000 0.800 326 E CB -0.271 29.477 29.700 0.079 0.000 0.746 326 E HN 0.518 nan 8.360 nan 0.000 0.452 327 W N 1.381 122.627 121.300 -0.090 0.000 2.335 327 W HA -0.186 3.846 4.660 -1.047 0.000 0.311 327 W C 1.947 178.379 176.519 -0.145 0.000 1.213 327 W CA 1.560 58.856 57.345 -0.083 0.000 1.274 327 W CB -0.187 29.249 29.460 -0.040 0.000 1.148 327 W HN -0.047 nan 8.180 nan 0.000 0.498 328 M N 0.119 119.464 119.600 -0.426 0.000 2.108 328 M HA -0.216 3.636 4.480 -1.046 0.000 0.261 328 M C 2.009 178.010 176.300 -0.498 0.000 1.066 328 M CA 2.241 57.123 55.300 -0.696 0.000 1.107 328 M CB -0.696 31.568 32.600 -0.560 0.000 1.356 328 M HN -0.006 nan 8.290 nan 0.000 0.406 329 E N 0.682 120.693 120.200 -0.316 0.000 2.107 329 E HA -0.148 3.574 4.350 -1.046 0.000 0.191 329 E C 1.667 178.156 176.600 -0.185 0.000 0.982 329 E CA 0.963 57.233 56.400 -0.217 0.000 0.809 329 E CB -0.134 29.480 29.700 -0.144 0.000 0.756 329 E HN 0.330 nan 8.360 nan 0.000 0.459 330 L N 0.492 121.603 121.223 -0.188 0.000 2.034 330 L HA 0.017 3.730 4.340 -1.046 0.000 0.203 330 L C 1.758 178.520 176.870 -0.180 0.000 1.074 330 L CA 1.781 56.540 54.840 -0.135 0.000 0.748 330 L CB -0.374 41.650 42.059 -0.058 0.000 0.905 330 L HN -0.000 nan 8.230 nan 0.000 0.439 331 E N 0.039 120.042 120.200 -0.328 0.000 2.299 331 E HA 0.104 3.826 4.350 -1.046 0.000 0.193 331 E C 1.542 177.949 176.600 -0.322 0.000 0.998 331 E CA 0.745 56.953 56.400 -0.321 0.000 0.851 331 E CB -0.315 29.136 29.700 -0.415 0.000 0.795 331 E HN 0.595 nan 8.360 nan 0.000 0.492 332 G N 2.238 110.808 108.800 -0.383 0.000 2.203 332 G HA2 -0.340 2.992 3.960 -1.046 0.000 0.263 332 G HA3 -0.340 2.992 3.960 -1.046 0.000 0.263 332 G C 1.084 175.909 174.900 -0.126 0.000 1.012 332 G CA 0.912 45.900 45.100 -0.186 0.000 0.749 332 G HN 0.147 nan 8.290 nan 0.000 0.512 333 K N -0.112 120.050 120.400 -0.397 0.000 2.155 333 K HA 0.114 3.807 4.320 -1.046 0.000 0.203 333 K C 1.541 177.986 176.600 -0.258 0.000 1.052 333 K CA 1.368 57.514 56.287 -0.236 0.000 0.948 333 K CB 0.035 32.416 32.500 -0.199 0.000 0.728 333 K HN 0.750 nan 8.250 nan 0.000 0.448 334 G N 0.465 108.828 108.800 -0.728 0.000 2.708 334 G HA2 0.639 3.971 3.960 -1.046 0.000 0.289 334 G HA3 0.639 3.971 3.960 -1.046 0.000 0.289 334 G C -1.220 172.978 174.900 -1.170 0.000 1.416 334 G CA -0.693 43.587 45.100 -1.366 0.000 0.829 334 G HN 0.100 nan 8.290 nan 0.000 0.480 335 M N -0.593 118.315 119.600 -1.152 0.000 2.520 335 M HA 0.768 4.620 4.480 -1.046 0.000 0.280 335 M C -1.521 174.602 176.300 -0.295 0.000 1.232 335 M CA -1.027 53.794 55.300 -0.797 0.000 0.892 335 M CB 2.363 34.212 32.600 -1.251 0.000 1.728 335 M HN 0.668 nan 8.290 nan 0.000 0.475 336 I N 0.512 120.952 120.570 -0.216 0.000 2.693 336 I HA 0.988 4.530 4.170 -1.046 0.000 0.303 336 I C -0.590 175.446 176.117 -0.134 0.000 1.025 336 I CA -0.629 60.609 61.300 -0.103 0.000 1.086 336 I CB 1.872 39.736 38.000 -0.226 0.000 1.268 336 I HN 1.131 nan 8.210 nan 0.000 0.440 337 C N 1.827 121.088 119.300 -0.066 0.000 3.340 337 C HA 0.943 4.775 4.460 -1.046 0.000 0.333 337 C C 0.652 175.646 174.990 0.006 0.000 1.464 337 C CA 0.188 59.188 59.018 -0.030 0.000 1.337 337 C CB 0.911 28.652 27.740 0.001 0.000 1.740 337 C HN 1.132 nan 8.230 nan 0.000 0.450 338 G N -0.724 108.107 108.800 0.052 0.000 3.329 338 G HA2 0.376 3.708 3.960 -1.046 0.000 0.180 338 G HA3 0.376 3.708 3.960 -1.046 0.000 0.180 338 G C -0.231 174.763 174.900 0.156 0.000 1.640 338 G CA -0.408 44.751 45.100 0.098 0.000 1.018 338 G HN 1.009 nan 8.290 nan 0.000 0.581 339 W N 1.985 123.314 121.300 0.049 0.000 2.295 339 W HA 0.435 4.466 4.660 -1.048 0.000 0.335 339 W C -0.233 176.344 176.519 0.097 0.000 1.351 339 W CA -0.019 57.368 57.345 0.070 0.000 1.273 339 W CB 0.012 29.504 29.460 0.054 0.000 1.214 339 W HN 0.440 nan 8.180 nan 0.000 0.563 340 A N 8.431 130.968 122.820 -0.472 0.000 2.356 340 A HA 0.561 4.254 4.320 -1.046 0.000 0.323 340 A C -2.261 175.151 177.584 -0.286 0.000 1.119 340 A CA -1.425 50.489 52.037 -0.205 0.000 0.790 340 A CB 1.584 20.596 19.000 0.020 0.000 1.273 340 A HN 0.428 nan 8.150 nan 0.000 0.452 341 P HA 0.072 nan 4.420 nan 0.000 0.225 341 P C 0.356 177.584 177.300 -0.120 0.000 1.813 341 P CA 0.051 63.175 63.100 0.041 0.000 1.013 341 P CB 0.565 32.386 31.700 0.202 0.000 1.961 342 Q N 1.640 121.337 119.800 -0.172 0.000 2.082 342 Q HA -0.221 3.491 4.340 -1.046 0.000 0.211 342 Q C 1.770 177.629 176.000 -0.235 0.000 1.002 342 Q CA 3.081 58.757 55.803 -0.211 0.000 0.868 342 Q CB -0.398 28.293 28.738 -0.077 0.000 0.931 342 Q HN 0.277 nan 8.270 nan 0.000 0.414 343 V N -1.804 118.052 119.914 -0.096 0.000 2.407 343 V HA -0.224 3.268 4.120 -1.046 0.000 0.248 343 V C 1.752 177.687 176.094 -0.265 0.000 1.055 343 V CA 2.197 64.448 62.300 -0.081 0.000 1.049 343 V CB -0.885 30.990 31.823 0.088 0.000 0.662 343 V HN 0.336 nan 8.190 nan 0.000 0.455 344 E N 0.578 120.675 120.200 -0.172 0.000 2.150 344 E HA -0.093 3.629 4.350 -1.046 0.000 0.193 344 E C 2.309 178.742 176.600 -0.278 0.000 0.985 344 E CA 1.367 57.663 56.400 -0.172 0.000 0.814 344 E CB -0.218 29.468 29.700 -0.023 0.000 0.752 344 E HN 0.555 nan 8.360 nan 0.000 0.466 345 V N 1.487 121.170 119.914 -0.384 0.000 2.270 345 V HA -0.238 3.255 4.120 -1.046 0.000 0.245 345 V C 2.281 178.062 176.094 -0.521 0.000 1.043 345 V CA 1.444 63.430 62.300 -0.522 0.000 1.014 345 V CB -0.380 30.854 31.823 -0.983 0.000 0.645 345 V HN 0.267 nan 8.190 nan 0.000 0.447 346 L N 0.126 120.987 121.223 -0.605 0.000 2.191 346 L HA -0.134 3.578 4.340 -1.046 0.000 0.212 346 L C 2.566 179.021 176.870 -0.691 0.000 1.103 346 L CA 1.343 55.872 54.840 -0.519 0.000 0.769 346 L CB -0.674 41.173 42.059 -0.352 0.000 0.908 346 L HN 0.374 nan 8.230 nan 0.000 0.438 347 A N -1.931 120.254 122.820 -1.058 0.000 2.016 347 A HA -0.122 3.570 4.320 -1.046 0.000 0.217 347 A C 1.192 178.563 177.584 -0.355 0.000 1.162 347 A CA 0.298 51.720 52.037 -1.025 0.000 0.662 347 A CB -0.555 17.922 19.000 -0.870 0.000 0.812 347 A HN 0.311 nan 8.150 nan 0.000 0.450 348 H N 1.108 119.974 119.070 -0.340 0.000 2.928 348 H HA 0.046 3.974 4.556 -1.047 0.000 0.338 348 H C 1.196 176.441 175.328 -0.139 0.000 1.047 348 H CA 1.097 57.022 56.048 -0.205 0.000 1.435 348 H CB 0.878 30.515 29.762 -0.208 0.000 1.428 348 H HN 0.514 nan 8.280 nan 0.000 0.590 349 K N 3.052 123.368 120.400 -0.139 0.000 2.442 349 K HA 0.003 3.695 4.320 -1.046 0.000 0.198 349 K C 1.551 178.212 176.600 0.101 0.000 1.042 349 K CA 0.963 57.240 56.287 -0.016 0.000 0.958 349 K CB 0.223 32.672 32.500 -0.085 0.000 0.766 349 K HN 0.384 nan 8.250 nan 0.000 0.474 350 A N 1.641 124.643 122.820 0.303 0.000 2.066 350 A HA 0.087 3.779 4.320 -1.046 0.000 0.218 350 A C 0.903 178.520 177.584 0.055 0.000 1.157 350 A CA 0.196 52.298 52.037 0.109 0.000 0.670 350 A CB -0.218 18.757 19.000 -0.042 0.000 0.804 350 A HN 0.218 nan 8.150 nan 0.000 0.453 351 I N 0.491 121.100 120.570 0.064 0.000 2.471 351 I HA 0.207 3.749 4.170 -1.046 0.000 0.286 351 I C 1.357 177.532 176.117 0.097 0.000 1.079 351 I CA 0.427 61.765 61.300 0.064 0.000 1.398 351 I CB 0.495 38.497 38.000 0.002 0.000 1.403 351 I HN 0.158 nan 8.210 nan 0.000 0.530 352 G N 4.498 113.378 108.800 0.134 0.000 2.944 352 G HA2 0.456 3.788 3.960 -1.046 0.000 0.223 352 G HA3 0.456 3.788 3.960 -1.046 0.000 0.223 352 G C 0.456 175.464 174.900 0.181 0.000 1.071 352 G CA 0.231 45.424 45.100 0.154 0.000 0.806 352 G HN 0.821 nan 8.290 nan 0.000 0.538 353 G N -0.602 108.320 108.800 0.204 0.000 2.698 353 G HA2 0.469 3.801 3.960 -1.046 0.000 0.293 353 G HA3 0.469 3.801 3.960 -1.046 0.000 0.293 353 G C -2.222 172.881 174.900 0.339 0.000 1.437 353 G CA -0.718 44.519 45.100 0.227 0.000 0.852 353 G HN 0.222 nan 8.290 nan 0.000 0.499 354 F N 2.142 122.162 119.950 0.115 0.000 2.612 354 F HA 0.562 4.461 4.527 -1.046 0.000 0.332 354 F C -0.817 174.994 175.800 0.018 0.000 1.167 354 F CA -1.668 56.397 58.000 0.107 0.000 0.970 354 F CB 1.866 40.956 39.000 0.149 0.000 1.234 354 F HN 0.321 nan 8.300 nan 0.000 0.453 355 V N 5.586 125.550 119.914 0.083 0.000 2.372 355 V HA 0.407 3.899 4.120 -1.046 0.000 0.261 355 V C 0.158 175.864 176.094 -0.647 0.000 1.055 355 V CA -0.084 62.115 62.300 -0.169 0.000 0.930 355 V CB 0.621 32.439 31.823 -0.008 0.000 1.031 355 V HN 0.791 nan 8.190 nan 0.000 0.479 356 S N 2.693 117.926 115.700 -0.778 0.000 2.566 356 S HA 0.423 4.265 4.470 -1.046 0.000 0.298 356 S C 0.834 175.291 174.600 -0.238 0.000 1.083 356 S CA -0.550 57.110 58.200 -0.899 0.000 0.978 356 S CB 1.116 63.476 63.200 -1.399 0.000 1.073 356 S HN 0.973 nan 8.310 nan 0.000 0.491 357 H N 0.464 119.380 119.070 -0.256 0.000 2.556 357 H HA 0.238 4.166 4.556 -1.046 0.000 0.268 357 H C 0.776 176.098 175.328 -0.009 0.000 0.996 357 H CA 0.434 56.503 56.048 0.034 0.000 1.157 357 H CB -0.718 29.079 29.762 0.059 0.000 1.355 357 H HN 0.593 nan 8.280 nan 0.000 0.597 358 C N 1.111 120.261 119.300 -0.250 0.000 4.497 358 C HA -0.126 3.707 4.460 -1.046 0.000 0.292 358 C C 1.621 176.426 174.990 -0.308 0.000 1.366 358 C CA 0.116 59.010 59.018 -0.207 0.000 1.987 358 C CB -2.370 25.348 27.740 -0.036 0.000 1.241 358 C HN 1.015 nan 8.230 nan 0.000 0.788 359 G N -1.042 107.322 108.800 -0.726 0.000 2.544 359 G HA2 0.263 3.595 3.960 -1.046 0.000 0.242 359 G HA3 0.263 3.595 3.960 -1.046 0.000 0.242 359 G C 0.793 175.714 174.900 0.035 0.000 1.247 359 G CA 0.306 45.163 45.100 -0.404 0.000 0.840 359 G HN 0.691 nan 8.290 nan 0.000 0.578 360 W N 1.710 122.963 121.300 -0.078 0.000 2.358 360 W HA -0.154 3.882 4.660 -1.041 0.000 0.303 360 W C 1.808 178.359 176.519 0.052 0.000 1.208 360 W CA 1.026 58.368 57.345 -0.005 0.000 1.274 360 W CB 0.219 29.665 29.460 -0.023 0.000 1.138 360 W HN 0.578 nan 8.180 nan 0.000 0.515 361 N N 0.156 118.891 118.700 0.059 0.000 2.166 361 N HA -0.147 3.965 4.740 -1.046 0.000 0.186 361 N C 1.747 177.257 175.510 -0.000 0.000 1.019 361 N CA 1.814 54.855 53.050 -0.014 0.000 0.856 361 N CB -0.798 37.743 38.487 0.091 0.000 0.993 361 N HN 0.013 nan 8.380 nan 0.000 0.426 362 S N 1.128 116.892 115.700 0.106 0.000 2.382 362 S HA -0.004 3.838 4.470 -1.046 0.000 0.228 362 S C 1.984 176.696 174.600 0.185 0.000 1.027 362 S CA 0.470 58.815 58.200 0.241 0.000 0.991 362 S CB 0.004 63.425 63.200 0.368 0.000 0.823 362 S HN 0.201 nan 8.310 nan 0.000 0.469 363 I N 1.761 122.318 120.570 -0.021 0.000 2.142 363 I HA -0.117 3.425 4.170 -1.046 0.000 0.240 363 I C 2.196 178.179 176.117 -0.223 0.000 1.078 363 I CA 1.249 62.474 61.300 -0.126 0.000 1.343 363 I CB -1.517 36.316 38.000 -0.279 0.000 1.046 363 I HN 0.281 nan 8.210 nan 0.000 0.405 364 L N 0.353 121.304 121.223 -0.453 0.000 2.042 364 L HA -0.230 3.482 4.340 -1.046 0.000 0.210 364 L C 2.536 179.369 176.870 -0.062 0.000 1.076 364 L CA 1.506 56.150 54.840 -0.327 0.000 0.749 364 L CB -0.598 41.224 42.059 -0.394 0.000 0.893 364 L HN 0.307 nan 8.230 nan 0.000 0.432 365 E N -0.791 119.414 120.200 0.008 0.000 2.110 365 E HA -0.210 3.512 4.350 -1.046 0.000 0.193 365 E C 2.336 179.119 176.600 0.304 0.000 0.988 365 E CA 1.370 57.859 56.400 0.149 0.000 0.804 365 E CB -0.105 29.704 29.700 0.182 0.000 0.745 365 E HN 0.263 nan 8.360 nan 0.000 0.458 366 S N 0.182 116.045 115.700 0.272 0.000 2.383 366 S HA -0.101 3.741 4.470 -1.046 0.000 0.227 366 S C 1.972 176.708 174.600 0.226 0.000 1.026 366 S CA 0.924 59.315 58.200 0.320 0.000 0.981 366 S CB -0.023 63.437 63.200 0.433 0.000 0.818 366 S HN 0.166 nan 8.310 nan 0.000 0.472 367 M N -0.097 119.582 119.600 0.133 0.000 2.175 367 M HA -0.085 3.767 4.480 -1.046 0.000 0.264 367 M C 2.052 178.378 176.300 0.043 0.000 1.063 367 M CA 1.265 56.609 55.300 0.073 0.000 1.119 367 M CB -0.420 32.204 32.600 0.039 0.000 1.377 367 M HN 0.572 nan 8.290 nan 0.000 0.415 368 W N 0.491 121.687 121.300 -0.173 0.000 2.363 368 W HA -0.186 3.846 4.660 -1.047 0.000 0.296 368 W C 0.785 177.051 176.519 -0.422 0.000 1.212 368 W CA 1.312 58.439 57.345 -0.364 0.000 1.260 368 W CB -0.190 28.957 29.460 -0.521 0.000 1.131 368 W HN 0.142 nan 8.180 nan 0.000 0.530 369 F N 0.728 120.769 119.950 0.152 0.000 2.727 369 F HA 0.305 4.204 4.527 -1.047 0.000 0.302 369 F C 1.862 177.664 175.800 0.005 0.000 1.097 369 F CA 0.900 58.938 58.000 0.062 0.000 1.330 369 F CB -0.486 38.583 39.000 0.115 0.000 1.084 369 F HN 0.016 nan 8.300 nan 0.000 0.578 370 G N 1.317 110.186 108.800 0.115 0.000 2.273 370 G HA2 -0.236 3.096 3.960 -1.046 0.000 0.280 370 G HA3 -0.236 3.096 3.960 -1.046 0.000 0.280 370 G C -0.259 174.707 174.900 0.109 0.000 1.047 370 G CA 0.184 45.329 45.100 0.074 0.000 0.869 370 G HN 0.164 nan 8.290 nan 0.000 0.502 371 V N 0.895 120.902 119.914 0.155 0.000 2.394 371 V HA 0.469 3.961 4.120 -1.046 0.000 0.282 371 V C -1.564 174.615 176.094 0.143 0.000 1.031 371 V CA -1.827 60.566 62.300 0.156 0.000 0.881 371 V CB 1.847 33.788 31.823 0.198 0.000 0.982 371 V HN 0.166 nan 8.190 nan 0.000 0.451 372 P HA 0.346 nan 4.420 nan 0.000 0.271 372 P C -0.603 176.753 177.300 0.092 0.000 1.218 372 P CA -0.043 63.056 63.100 -0.001 0.000 0.780 372 P CB 0.710 32.290 31.700 -0.201 0.000 0.901 373 I N 2.306 122.912 120.570 0.060 0.000 2.493 373 I HA 0.347 3.889 4.170 -1.046 0.000 0.298 373 I C -0.327 175.788 176.117 -0.004 0.000 0.998 373 I CA -1.025 60.288 61.300 0.022 0.000 1.137 373 I CB 1.739 39.718 38.000 -0.034 0.000 1.310 373 I HN 0.155 nan 8.210 nan 0.000 0.445 374 L N 6.239 127.449 121.223 -0.023 0.000 2.298 374 L HA 0.398 4.110 4.340 -1.046 0.000 0.284 374 L C 0.296 177.159 176.870 -0.012 0.000 1.013 374 L CA -0.054 54.785 54.840 -0.002 0.000 0.824 374 L CB 1.388 43.461 42.059 0.024 0.000 1.221 374 L HN 0.681 nan 8.230 nan 0.000 0.418 375 T N 1.816 116.373 114.554 0.005 0.000 2.834 375 T HA 0.216 3.938 4.350 -1.046 0.000 0.298 375 T C -0.449 174.332 174.700 0.135 0.000 0.966 375 T CA -0.263 61.865 62.100 0.047 0.000 1.141 375 T CB 0.469 69.365 68.868 0.047 0.000 0.905 375 T HN 0.687 nan 8.240 nan 0.000 0.535 376 W N 7.231 128.554 121.300 0.039 0.000 1.713 376 W HA 0.325 4.356 4.660 -1.048 0.000 0.303 376 W C -2.939 173.699 176.519 0.198 0.000 0.915 376 W CA -2.906 54.508 57.345 0.115 0.000 1.751 376 W CB 0.924 30.528 29.460 0.241 0.000 1.955 376 W HN 0.576 nan 8.180 nan 0.000 0.405 377 P HA 0.162 nan 4.420 nan 0.000 0.269 377 P C 0.476 178.089 177.300 0.522 0.000 1.215 377 P CA 0.495 63.801 63.100 0.345 0.000 0.780 377 P CB 2.199 34.034 31.700 0.225 0.000 0.898 378 I N 0.185 120.958 120.570 0.338 0.000 3.814 378 I HA 0.114 3.656 4.170 -1.046 0.000 0.264 378 I C 0.427 176.758 176.117 0.356 0.000 1.145 378 I CA 0.147 61.722 61.300 0.457 0.000 1.375 378 I CB 0.186 38.456 38.000 0.450 0.000 1.638 378 I HN 0.371 nan 8.210 nan 0.000 0.432 379 Y N -0.240 120.202 120.300 0.236 0.000 2.876 379 Y HA 0.851 4.772 4.550 -1.049 0.000 0.317 379 Y C 0.586 176.589 175.900 0.171 0.000 1.369 379 Y CA -1.062 57.149 58.100 0.185 0.000 1.101 379 Y CB -0.004 38.556 38.460 0.166 0.000 1.346 379 Y HN 0.134 nan 8.280 nan 0.000 0.505 380 A N 0.935 123.997 122.820 0.402 0.000 5.584 380 A HA -0.340 3.352 4.320 -1.046 0.000 0.303 380 A C 0.683 178.372 177.584 0.176 0.000 1.923 380 A CA 1.648 53.865 52.037 0.299 0.000 0.717 380 A CB -2.128 17.028 19.000 0.260 0.000 1.281 380 A HN 1.213 nan 8.150 nan 0.000 0.379 381 E N 0.470 120.705 120.200 0.059 0.000 2.370 381 E HA 0.394 4.116 4.350 -1.046 0.000 0.194 381 E C 1.044 177.656 176.600 0.019 0.000 1.057 381 E CA 0.727 57.161 56.400 0.057 0.000 1.011 381 E CB -0.196 29.498 29.700 -0.010 0.000 1.132 381 E HN 0.642 nan 8.360 nan 0.000 0.450 382 Q N 0.370 120.162 119.800 -0.012 0.000 2.124 382 Q HA -0.188 3.524 4.340 -1.046 0.000 0.202 382 Q C 1.421 177.455 176.000 0.057 0.000 0.977 382 Q CA 1.562 57.345 55.803 -0.033 0.000 0.850 382 Q CB -0.015 28.635 28.738 -0.147 0.000 0.901 382 Q HN 0.290 nan 8.270 nan 0.000 0.429 383 Q N 0.176 120.032 119.800 0.092 0.000 2.079 383 Q HA -0.147 3.565 4.340 -1.046 0.000 0.200 383 Q C 1.872 177.942 176.000 0.117 0.000 0.974 383 Q CA 0.940 56.813 55.803 0.117 0.000 0.840 383 Q CB -0.232 28.573 28.738 0.110 0.000 0.898 383 Q HN 0.241 nan 8.270 nan 0.000 0.430 384 L N 0.669 121.947 121.223 0.091 0.000 2.046 384 L HA -0.159 3.553 4.340 -1.046 0.000 0.208 384 L C 1.391 178.327 176.870 0.111 0.000 1.077 384 L CA 1.745 56.642 54.840 0.095 0.000 0.747 384 L CB -0.604 41.490 42.059 0.058 0.000 0.896 384 L HN 0.175 nan 8.230 nan 0.000 0.432 385 N N 0.197 118.953 118.700 0.093 0.000 2.120 385 N HA -0.140 3.972 4.740 -1.046 0.000 0.188 385 N C 1.844 177.446 175.510 0.153 0.000 1.024 385 N CA 1.603 54.742 53.050 0.148 0.000 0.852 385 N CB -0.571 38.050 38.487 0.223 0.000 1.003 385 N HN 0.520 nan 8.380 nan 0.000 0.424 386 A N 0.665 123.565 122.820 0.133 0.000 1.877 386 A HA -0.134 3.558 4.320 -1.046 0.000 0.216 386 A C 2.134 179.773 177.584 0.093 0.000 1.186 386 A CA 1.050 53.157 52.037 0.116 0.000 0.620 386 A CB -1.024 18.050 19.000 0.123 0.000 0.822 386 A HN 0.283 nan 8.150 nan 0.000 0.443 387 F N 0.831 120.758 119.950 -0.037 0.000 2.069 387 F HA -0.212 3.689 4.527 -1.044 0.000 0.298 387 F C 2.350 178.054 175.800 -0.161 0.000 1.113 387 F CA 2.163 60.116 58.000 -0.079 0.000 1.214 387 F CB -0.330 38.624 39.000 -0.076 0.000 0.978 387 F HN 0.130 nan 8.300 nan 0.000 0.474 388 R N 0.027 120.321 120.500 -0.345 0.000 2.115 388 R HA -0.077 3.635 4.340 -1.046 0.000 0.230 388 R C 2.372 178.241 176.300 -0.718 0.000 1.111 388 R CA 1.406 57.055 56.100 -0.751 0.000 0.976 388 R CB -0.539 29.221 30.300 -0.898 0.000 0.870 388 R HN 0.376 nan 8.270 nan 0.000 0.445 389 L N 0.053 121.133 121.223 -0.238 0.000 2.046 389 L HA -0.193 3.519 4.340 -1.046 0.000 0.208 389 L C 2.126 179.003 176.870 0.012 0.000 1.077 389 L CA 1.187 56.108 54.840 0.135 0.000 0.747 389 L CB -0.198 41.994 42.059 0.222 0.000 0.896 389 L HN 0.077 nan 8.230 nan 0.000 0.432 390 V N -1.054 118.796 119.914 -0.107 0.000 2.379 390 V HA -0.119 3.373 4.120 -1.046 0.000 0.243 390 V C 2.204 178.176 176.094 -0.203 0.000 1.035 390 V CA 1.250 63.484 62.300 -0.111 0.000 1.035 390 V CB -0.306 31.465 31.823 -0.086 0.000 0.673 390 V HN 0.317 nan 8.190 nan 0.000 0.457 391 K N -0.204 119.949 120.400 -0.411 0.000 2.356 391 K HA 0.082 3.774 4.320 -1.046 0.000 0.195 391 K C 1.812 178.152 176.600 -0.433 0.000 1.037 391 K CA 0.593 56.603 56.287 -0.461 0.000 1.014 391 K CB 0.443 32.490 32.500 -0.756 0.000 0.815 391 K HN 0.564 nan 8.250 nan 0.000 0.507 392 E N -1.028 118.857 120.200 -0.524 0.000 2.207 392 E HA -0.004 3.718 4.350 -1.046 0.000 0.197 392 E C 1.012 177.449 176.600 -0.273 0.000 0.914 392 E CA 0.068 56.167 56.400 -0.501 0.000 0.914 392 E CB 0.337 29.533 29.700 -0.840 0.000 0.893 392 E HN 0.173 nan 8.360 nan 0.000 0.479 393 W N 0.174 121.429 121.300 -0.076 0.000 2.872 393 W HA 0.354 4.386 4.660 -1.047 0.000 0.266 393 W C 1.155 177.658 176.519 -0.027 0.000 1.276 393 W CA 0.847 58.171 57.345 -0.035 0.000 1.471 393 W CB -0.228 29.229 29.460 -0.006 0.000 1.071 393 W HN 0.338 nan 8.180 nan 0.000 0.619 394 G N 1.244 110.122 108.800 0.131 0.000 2.225 394 G HA2 -0.302 3.030 3.960 -1.046 0.000 0.267 394 G HA3 -0.302 3.030 3.960 -1.046 0.000 0.267 394 G C 0.602 175.560 174.900 0.097 0.000 1.024 394 G CA 0.695 45.841 45.100 0.077 0.000 0.784 394 G HN 0.396 nan 8.290 nan 0.000 0.507 395 V N -2.929 117.070 119.914 0.142 0.000 3.621 395 V HA 0.670 4.162 4.120 -1.046 0.000 0.285 395 V C 1.178 177.314 176.094 0.069 0.000 1.346 395 V CA 0.802 63.164 62.300 0.103 0.000 1.104 395 V CB 0.325 32.224 31.823 0.125 0.000 0.913 395 V HN 1.244 nan 8.190 nan 0.000 0.432 396 G N -0.139 108.703 108.800 0.070 0.000 2.605 396 G HA2 0.719 4.051 3.960 -1.046 0.000 0.296 396 G HA3 0.719 4.051 3.960 -1.046 0.000 0.296 396 G C -1.552 173.360 174.900 0.019 0.000 1.304 396 G CA -0.930 44.195 45.100 0.041 0.000 0.941 396 G HN 0.167 nan 8.290 nan 0.000 0.475 397 L N 0.398 121.627 121.223 0.010 0.000 2.334 397 L HA 0.645 4.357 4.340 -1.046 0.000 0.276 397 L C 0.788 177.656 176.870 -0.004 0.000 1.014 397 L CA -0.975 53.868 54.840 0.004 0.000 0.815 397 L CB 2.183 44.249 42.059 0.011 0.000 1.268 397 L HN 0.652 nan 8.230 nan 0.000 0.428 398 G N 1.448 110.240 108.800 -0.013 0.000 2.325 398 G HA2 0.401 3.734 3.960 -1.046 0.000 0.298 398 G HA3 0.401 3.734 3.960 -1.046 0.000 0.298 398 G C 0.107 174.974 174.900 -0.055 0.000 1.134 398 G CA -0.319 44.768 45.100 -0.022 0.000 0.876 398 G HN 0.524 nan 8.290 nan 0.000 0.452 399 L N 1.969 123.137 121.223 -0.092 0.000 2.262 399 L HA 0.554 4.266 4.340 -1.046 0.000 0.197 399 L C 0.672 177.413 176.870 -0.216 0.000 1.073 399 L CA 1.061 55.790 54.840 -0.185 0.000 0.800 399 L CB 0.015 41.910 42.059 -0.273 0.000 0.987 399 L HN 0.329 nan 8.230 nan 0.000 0.470 400 R N -1.405 118.977 120.500 -0.197 0.000 2.651 400 R HA 0.482 4.195 4.340 -1.046 0.000 0.278 400 R C -0.124 176.179 176.300 0.005 0.000 1.010 400 R CA -0.235 55.793 56.100 -0.120 0.000 0.896 400 R CB 1.845 32.034 30.300 -0.185 0.000 1.211 400 R HN -0.123 nan 8.270 nan 0.000 0.456 401 V N 0.710 120.655 119.914 0.053 0.000 3.612 401 V HA -0.003 3.489 4.120 -1.046 0.000 0.268 401 V C 0.716 176.879 176.094 0.116 0.000 1.365 401 V CA 0.922 63.286 62.300 0.108 0.000 1.044 401 V CB 0.338 32.248 31.823 0.145 0.000 0.820 401 V HN 0.732 nan 8.190 nan 0.000 0.444 402 D N -1.420 119.034 120.400 0.089 0.000 2.462 402 D HA 0.017 4.029 4.640 -1.046 0.000 0.221 402 D C 0.310 176.668 176.300 0.096 0.000 1.173 402 D CA -0.492 53.548 54.000 0.066 0.000 0.831 402 D CB -0.131 40.669 40.800 -0.001 0.000 1.001 402 D HN 0.400 nan 8.370 nan 0.000 0.499 403 Y N 2.921 123.258 120.300 0.062 0.000 2.411 403 Y HA 0.248 4.171 4.550 -1.045 0.000 0.333 403 Y C 0.615 176.626 175.900 0.184 0.000 1.186 403 Y CA 0.146 58.319 58.100 0.122 0.000 1.381 403 Y CB 0.537 39.107 38.460 0.184 0.000 1.273 403 Y HN 0.056 nan 8.280 nan 0.000 0.546 404 R N 3.451 123.678 120.500 -0.455 0.000 2.728 404 R HA 0.340 4.052 4.340 -1.046 0.000 0.274 404 R C -1.644 174.468 176.300 -0.314 0.000 1.030 404 R CA -1.340 54.667 56.100 -0.155 0.000 0.876 404 R CB 0.821 31.111 30.300 -0.017 0.000 1.259 404 R HN 0.553 nan 8.270 nan 0.000 0.468 405 K N 0.278 120.659 120.400 -0.032 0.000 2.472 405 K HA 0.165 3.857 4.320 -1.046 0.000 0.280 405 K C 0.452 177.008 176.600 -0.072 0.000 1.028 405 K CA 1.826 58.109 56.287 -0.008 0.000 1.045 405 K CB 0.131 32.667 32.500 0.060 0.000 0.902 405 K HN 0.849 nan 8.250 nan 0.000 0.478 406 G N 2.206 110.959 108.800 -0.079 0.000 2.253 406 G HA2 -0.216 3.116 3.960 -1.046 0.000 0.209 406 G HA3 -0.216 3.116 3.960 -1.046 0.000 0.209 406 G C -0.111 174.720 174.900 -0.114 0.000 0.997 406 G CA 0.000 45.055 45.100 -0.076 0.000 0.640 406 G HN 0.627 nan 8.290 nan 0.000 0.496 407 S N 0.942 116.502 115.700 -0.233 0.000 2.579 407 S HA 0.457 4.299 4.470 -1.046 0.000 0.275 407 S C 0.224 174.791 174.600 -0.055 0.000 1.345 407 S CA 0.113 58.177 58.200 -0.226 0.000 1.031 407 S CB 1.487 64.367 63.200 -0.534 0.000 0.892 407 S HN 0.513 nan 8.310 nan 0.000 0.529 408 D N 0.562 120.960 120.400 -0.004 0.000 2.377 408 D HA 0.226 4.238 4.640 -1.046 0.000 0.245 408 D C 0.124 176.489 176.300 0.109 0.000 1.196 408 D CA -0.530 53.492 54.000 0.037 0.000 0.962 408 D CB 0.613 41.416 40.800 0.004 0.000 1.127 408 D HN 0.305 nan 8.370 nan 0.000 0.471 409 V N 0.107 120.067 119.914 0.076 0.000 2.694 409 V HA 0.199 3.691 4.120 -1.046 0.000 0.306 409 V C 0.000 176.104 176.094 0.016 0.000 1.054 409 V CA -0.612 61.728 62.300 0.068 0.000 1.161 409 V CB 0.632 32.463 31.823 0.012 0.000 0.916 409 V HN 0.240 nan 8.190 nan 0.000 0.490 410 V N 5.941 125.839 119.914 -0.026 0.000 2.385 410 V HA 0.609 4.101 4.120 -1.046 0.000 0.269 410 V C 1.015 177.023 176.094 -0.144 0.000 1.043 410 V CA 0.212 62.414 62.300 -0.165 0.000 0.906 410 V CB 0.469 32.010 31.823 -0.470 0.000 0.995 410 V HN 1.370 nan 8.190 nan 0.000 0.467 411 A N 4.448 127.193 122.820 -0.125 0.000 2.425 411 A HA 0.589 4.281 4.320 -1.046 0.000 0.242 411 A C 1.652 179.163 177.584 -0.121 0.000 1.077 411 A CA 0.379 52.351 52.037 -0.108 0.000 0.781 411 A CB 0.358 19.304 19.000 -0.090 0.000 1.020 411 A HN 1.257 nan 8.150 nan 0.000 0.494 412 A N 0.952 123.705 122.820 -0.111 0.000 1.917 412 A HA -0.173 3.519 4.320 -1.046 0.000 0.219 412 A C 1.756 179.284 177.584 -0.094 0.000 1.182 412 A CA 2.347 54.318 52.037 -0.111 0.000 0.633 412 A CB -0.687 18.242 19.000 -0.118 0.000 0.819 412 A HN 0.894 nan 8.150 nan 0.000 0.448 413 E N -0.437 119.707 120.200 -0.092 0.000 2.058 413 E HA -0.195 3.527 4.350 -1.046 0.000 0.194 413 E C 1.983 178.544 176.600 -0.065 0.000 0.997 413 E CA 1.517 57.876 56.400 -0.068 0.000 0.801 413 E CB -0.230 29.430 29.700 -0.068 0.000 0.746 413 E HN 0.821 nan 8.360 nan 0.000 0.450 414 E N 0.133 120.277 120.200 -0.094 0.000 2.072 414 E HA -0.158 3.565 4.350 -1.046 0.000 0.191 414 E C 1.965 178.490 176.600 -0.125 0.000 0.985 414 E CA 0.883 57.216 56.400 -0.112 0.000 0.801 414 E CB -0.053 29.558 29.700 -0.147 0.000 0.750 414 E HN 0.242 nan 8.360 nan 0.000 0.452 415 I N 1.064 121.549 120.570 -0.142 0.000 2.226 415 I HA -0.255 3.287 4.170 -1.046 0.000 0.245 415 I C 2.673 178.749 176.117 -0.067 0.000 1.100 415 I CA 1.432 62.653 61.300 -0.131 0.000 1.374 415 I CB -0.402 37.520 38.000 -0.129 0.000 1.057 415 I HN 0.260 nan 8.210 nan 0.000 0.413 416 E N 1.894 122.070 120.200 -0.041 0.000 2.058 416 E HA -0.321 3.401 4.350 -1.046 0.000 0.194 416 E C 2.258 178.864 176.600 0.010 0.000 0.997 416 E CA 1.661 58.066 56.400 0.008 0.000 0.801 416 E CB -0.096 29.639 29.700 0.059 0.000 0.746 416 E HN 0.356 nan 8.360 nan 0.000 0.450 417 K N -0.120 120.276 120.400 -0.006 0.000 2.063 417 K HA -0.132 3.560 4.320 -1.046 0.000 0.208 417 K C 2.150 178.747 176.600 -0.006 0.000 1.048 417 K CA 1.602 57.887 56.287 -0.004 0.000 0.928 417 K CB -0.468 32.021 32.500 -0.019 0.000 0.713 417 K HN 0.236 nan 8.250 nan 0.000 0.442 418 G N 1.468 110.251 108.800 -0.028 0.000 2.418 418 G HA2 -0.209 3.124 3.960 -1.046 0.000 0.217 418 G HA3 -0.209 3.124 3.960 -1.046 0.000 0.217 418 G C 1.539 176.446 174.900 0.012 0.000 1.158 418 G CA 0.738 45.825 45.100 -0.023 0.000 0.771 418 G HN 0.228 nan 8.290 nan 0.000 0.545 419 L N -0.061 121.173 121.223 0.019 0.000 2.046 419 L HA -0.060 3.653 4.340 -1.046 0.000 0.208 419 L C 2.977 179.890 176.870 0.071 0.000 1.077 419 L CA 1.326 56.197 54.840 0.052 0.000 0.747 419 L CB -0.283 41.806 42.059 0.050 0.000 0.896 419 L HN 0.172 nan 8.230 nan 0.000 0.432 420 K N -0.279 120.155 120.400 0.056 0.000 2.097 420 K HA -0.154 3.538 4.320 -1.046 0.000 0.205 420 K C 1.693 178.331 176.600 0.065 0.000 1.050 420 K CA 1.354 57.677 56.287 0.060 0.000 0.938 420 K CB -0.150 32.376 32.500 0.043 0.000 0.718 420 K HN 0.261 nan 8.250 nan 0.000 0.442 421 D N 1.064 121.498 120.400 0.056 0.000 2.117 421 D HA -0.135 3.877 4.640 -1.046 0.000 0.198 421 D C 1.832 178.194 176.300 0.104 0.000 0.982 421 D CA 0.671 54.710 54.000 0.065 0.000 0.828 421 D CB -0.186 40.640 40.800 0.043 0.000 0.967 421 D HN 0.016 nan 8.370 nan 0.000 0.464 422 L N 0.245 121.527 121.223 0.098 0.000 2.046 422 L HA -0.097 3.615 4.340 -1.046 0.000 0.208 422 L C 1.699 178.689 176.870 0.201 0.000 1.077 422 L CA 1.556 56.469 54.840 0.122 0.000 0.747 422 L CB -0.318 41.799 42.059 0.096 0.000 0.896 422 L HN -0.071 nan 8.230 nan 0.000 0.432 423 M N -0.527 119.176 119.600 0.171 0.000 2.563 423 M HA 0.129 3.981 4.480 -1.046 0.000 0.231 423 M C 0.105 176.479 176.300 0.125 0.000 1.136 423 M CA -0.032 55.375 55.300 0.178 0.000 1.026 423 M CB -1.232 31.453 32.600 0.141 0.000 1.597 423 M HN 0.215 nan 8.290 nan 0.000 0.495 424 D N 1.946 122.417 120.400 0.119 0.000 2.338 424 D HA 0.004 4.017 4.640 -1.046 0.000 0.255 424 D C 1.035 177.269 176.300 -0.111 0.000 1.237 424 D CA 0.257 54.276 54.000 0.031 0.000 0.883 424 D CB 0.991 41.820 40.800 0.049 0.000 1.087 424 D HN 0.192 nan 8.370 nan 0.000 0.485 425 K N 2.965 123.242 120.400 -0.205 0.000 2.281 425 K HA -0.129 3.563 4.320 -1.046 0.000 0.203 425 K C 0.256 176.654 176.600 -0.337 0.000 1.046 425 K CA 0.983 57.024 56.287 -0.410 0.000 0.938 425 K CB 0.306 32.683 32.500 -0.204 0.000 0.737 425 K HN 0.377 nan 8.250 nan 0.000 0.458 426 D N 0.651 120.961 120.400 -0.150 0.000 2.342 426 D HA -0.022 3.990 4.640 -1.046 0.000 0.221 426 D C 0.168 176.468 176.300 -0.000 0.000 1.101 426 D CA 0.136 54.097 54.000 -0.065 0.000 0.837 426 D CB 0.456 41.238 40.800 -0.030 0.000 0.938 426 D HN 0.103 nan 8.370 nan 0.000 0.508 427 S N 0.620 116.344 115.700 0.039 0.000 2.573 427 S HA -0.011 3.832 4.470 -1.046 0.000 0.277 427 S C 1.214 175.925 174.600 0.185 0.000 1.346 427 S CA -0.526 57.773 58.200 0.165 0.000 1.034 427 S CB 0.806 64.204 63.200 0.329 0.000 0.879 427 S HN 0.011 nan 8.310 nan 0.000 0.528 428 I N 4.749 125.395 120.570 0.127 0.000 2.928 428 I HA -0.006 3.536 4.170 -1.046 0.000 0.266 428 I C 1.885 178.067 176.117 0.107 0.000 1.234 428 I CA 1.119 62.478 61.300 0.099 0.000 1.483 428 I CB -0.338 37.699 38.000 0.061 0.000 1.097 428 I HN 0.680 nan 8.210 nan 0.000 0.455 429 V N -1.647 118.332 119.914 0.108 0.000 2.515 429 V HA -0.247 3.245 4.120 -1.046 0.000 0.250 429 V C 2.349 178.446 176.094 0.005 0.000 1.058 429 V CA 1.807 64.127 62.300 0.033 0.000 1.064 429 V CB -1.649 30.152 31.823 -0.037 0.000 0.675 429 V HN 0.397 nan 8.190 nan 0.000 0.461 430 H N 1.286 120.384 119.070 0.048 0.000 2.387 430 H HA -0.059 3.870 4.556 -1.046 0.000 0.299 430 H C 2.215 177.566 175.328 0.038 0.000 1.099 430 H CA 2.185 58.261 56.048 0.046 0.000 1.315 430 H CB -0.287 29.500 29.762 0.041 0.000 1.380 430 H HN 0.393 nan 8.280 nan 0.000 0.513 431 K N 0.349 120.837 120.400 0.147 0.000 2.062 431 K HA -0.071 3.621 4.320 -1.046 0.000 0.205 431 K C 2.102 178.739 176.600 0.062 0.000 1.051 431 K CA 0.958 57.297 56.287 0.088 0.000 0.941 431 K CB 0.002 32.545 32.500 0.071 0.000 0.719 431 K HN 0.021 nan 8.250 nan 0.000 0.440 432 K N 0.715 121.151 120.400 0.060 0.000 2.097 432 K HA -0.038 3.654 4.320 -1.046 0.000 0.205 432 K C 1.735 178.361 176.600 0.043 0.000 1.050 432 K CA 0.900 57.218 56.287 0.053 0.000 0.938 432 K CB -0.327 32.211 32.500 0.063 0.000 0.718 432 K HN -0.065 nan 8.250 nan 0.000 0.442 433 V N 0.835 120.770 119.914 0.035 0.000 2.287 433 V HA -0.267 3.225 4.120 -1.046 0.000 0.248 433 V C 2.451 178.555 176.094 0.017 0.000 1.053 433 V CA 2.194 64.508 62.300 0.023 0.000 1.027 433 V CB -0.641 31.179 31.823 -0.004 0.000 0.646 433 V HN 0.447 nan 8.190 nan 0.000 0.447 434 Q N 0.539 120.353 119.800 0.024 0.000 2.124 434 Q HA -0.243 3.469 4.340 -1.046 0.000 0.202 434 Q C 2.184 178.173 176.000 -0.017 0.000 0.977 434 Q CA 2.342 58.147 55.803 0.004 0.000 0.850 434 Q CB -0.433 28.316 28.738 0.018 0.000 0.901 434 Q HN 0.749 nan 8.270 nan 0.000 0.429 435 E N -1.038 119.162 120.200 0.001 0.000 2.072 435 E HA -0.202 3.520 4.350 -1.046 0.000 0.191 435 E C 1.761 178.357 176.600 -0.007 0.000 0.985 435 E CA 1.261 57.660 56.400 -0.003 0.000 0.801 435 E CB -0.126 29.584 29.700 0.017 0.000 0.750 435 E HN 0.400 nan 8.360 nan 0.000 0.452 436 M N 1.411 121.016 119.600 0.007 0.000 2.229 436 M HA -0.108 3.745 4.480 -1.046 0.000 0.264 436 M C 1.988 178.264 176.300 -0.039 0.000 1.063 436 M CA 1.532 56.847 55.300 0.025 0.000 1.114 436 M CB -0.139 32.482 32.600 0.035 0.000 1.387 436 M HN -0.044 nan 8.290 nan 0.000 0.420 437 K N -0.152 120.197 120.400 -0.084 0.000 2.025 437 K HA -0.184 3.508 4.320 -1.046 0.000 0.207 437 K C 1.724 178.160 176.600 -0.274 0.000 1.049 437 K CA 1.872 58.044 56.287 -0.191 0.000 0.933 437 K CB -0.187 32.216 32.500 -0.163 0.000 0.714 437 K HN 0.482 nan 8.250 nan 0.000 0.438 438 E N 0.400 120.489 120.200 -0.186 0.000 2.051 438 E HA -0.210 3.512 4.350 -1.046 0.000 0.192 438 E C 2.152 178.637 176.600 -0.191 0.000 0.991 438 E CA 1.687 57.975 56.400 -0.187 0.000 0.799 438 E CB -0.149 29.485 29.700 -0.109 0.000 0.748 438 E HN 0.388 nan 8.360 nan 0.000 0.449 439 M N 0.666 120.192 119.600 -0.123 0.000 2.159 439 M HA -0.147 3.705 4.480 -1.046 0.000 0.263 439 M C 2.444 178.553 176.300 -0.319 0.000 1.063 439 M CA 1.010 56.259 55.300 -0.085 0.000 1.110 439 M CB -0.142 32.521 32.600 0.104 0.000 1.374 439 M HN -0.011 nan 8.290 nan 0.000 0.411 440 S N 0.088 115.495 115.700 -0.488 0.000 2.348 440 S HA -0.075 3.768 4.470 -1.046 0.000 0.221 440 S C 1.921 176.209 174.600 -0.520 0.000 1.033 440 S CA 0.996 58.718 58.200 -0.797 0.000 1.010 440 S CB -0.229 62.686 63.200 -0.475 0.000 0.891 440 S HN 0.389 nan 8.310 nan 0.000 0.442 441 R N 1.897 122.043 120.500 -0.589 0.000 2.096 441 R HA 0.108 3.820 4.340 -1.046 0.000 0.235 441 R C 1.624 177.769 176.300 -0.259 0.000 1.127 441 R CA 0.894 56.634 56.100 -0.600 0.000 0.968 441 R CB -1.218 28.679 30.300 -0.671 0.000 0.861 441 R HN 0.398 nan 8.270 nan 0.000 0.440 442 N N 1.048 119.617 118.700 -0.217 0.000 2.381 442 N HA -0.054 4.058 4.740 -1.046 0.000 0.182 442 N C 1.527 176.998 175.510 -0.066 0.000 1.025 442 N CA 1.077 54.059 53.050 -0.113 0.000 0.888 442 N CB -0.127 38.309 38.487 -0.085 0.000 0.965 442 N HN 0.207 nan 8.380 nan 0.000 0.438 443 A N 0.514 123.272 122.820 -0.103 0.000 1.969 443 A HA -0.061 3.631 4.320 -1.046 0.000 0.218 443 A C 1.890 179.485 177.584 0.018 0.000 1.169 443 A CA 1.413 53.429 52.037 -0.034 0.000 0.635 443 A CB -0.277 18.659 19.000 -0.107 0.000 0.810 443 A HN 0.197 nan 8.150 nan 0.000 0.445 444 V N -1.763 118.171 119.914 0.032 0.000 3.271 444 V HA 0.385 3.878 4.120 -1.046 0.000 0.327 444 V C 0.492 176.633 176.094 0.077 0.000 1.389 444 V CA 0.015 62.362 62.300 0.078 0.000 1.156 444 V CB -1.051 30.852 31.823 0.133 0.000 1.103 444 V HN 0.420 nan 8.190 nan 0.000 0.453 445 V N -2.758 117.183 119.914 0.045 0.000 3.096 445 V HA 0.596 4.088 4.120 -1.046 0.000 0.319 445 V C 0.033 176.150 176.094 0.038 0.000 1.082 445 V CA -0.710 61.616 62.300 0.043 0.000 1.022 445 V CB 1.239 33.072 31.823 0.016 0.000 1.103 445 V HN 0.222 nan 8.190 nan 0.000 0.455 446 D N 1.402 121.828 120.400 0.044 0.000 2.525 446 D HA 0.352 4.364 4.640 -1.046 0.000 0.235 446 D C 1.312 177.627 176.300 0.026 0.000 1.137 446 D CA 2.088 56.112 54.000 0.040 0.000 0.868 446 D CB 0.867 41.693 40.800 0.044 0.000 1.180 446 D HN 1.429 nan 8.370 nan 0.000 0.465 447 G N 1.672 110.485 108.800 0.022 0.000 2.234 447 G HA2 -0.210 3.122 3.960 -1.046 0.000 0.260 447 G HA3 -0.210 3.122 3.960 -1.046 0.000 0.260 447 G C 0.779 175.693 174.900 0.023 0.000 0.987 447 G CA 0.265 45.378 45.100 0.021 0.000 0.625 447 G HN 0.831 nan 8.290 nan 0.000 0.532 448 G N 0.267 109.080 108.800 0.023 0.000 2.569 448 G HA2 0.539 3.871 3.960 -1.046 0.000 0.249 448 G HA3 0.539 3.871 3.960 -1.046 0.000 0.249 448 G C 1.330 176.256 174.900 0.043 0.000 1.216 448 G CA 0.927 46.043 45.100 0.028 0.000 0.845 448 G HN 1.367 nan 8.290 nan 0.000 0.568 449 S N 0.695 116.432 115.700 0.062 0.000 2.374 449 S HA -0.190 3.652 4.470 -1.046 0.000 0.227 449 S C 2.294 176.952 174.600 0.096 0.000 1.037 449 S CA 1.942 60.192 58.200 0.084 0.000 1.024 449 S CB -0.426 62.840 63.200 0.109 0.000 0.861 449 S HN 0.400 nan 8.310 nan 0.000 0.456 450 S N 1.626 117.388 115.700 0.102 0.000 2.406 450 S HA 0.247 4.089 4.470 -1.046 0.000 0.228 450 S C 1.763 176.403 174.600 0.066 0.000 1.020 450 S CA 0.922 59.191 58.200 0.115 0.000 0.965 450 S CB -0.428 62.852 63.200 0.133 0.000 0.798 450 S HN 0.449 nan 8.310 nan 0.000 0.488 451 L N 0.754 121.986 121.223 0.015 0.000 2.217 451 L HA 0.045 3.757 4.340 -1.046 0.000 0.211 451 L C 2.024 178.858 176.870 -0.060 0.000 1.107 451 L CA 0.860 55.650 54.840 -0.084 0.000 0.783 451 L CB -0.459 41.541 42.059 -0.097 0.000 0.919 451 L HN 0.320 nan 8.230 nan 0.000 0.442 452 I N -0.947 119.628 120.570 0.009 0.000 2.252 452 I HA -0.275 3.267 4.170 -1.046 0.000 0.245 452 I C 2.805 178.965 176.117 0.071 0.000 1.102 452 I CA 1.143 62.463 61.300 0.033 0.000 1.385 452 I CB -0.184 37.846 38.000 0.050 0.000 1.064 452 I HN 0.183 nan 8.210 nan 0.000 0.414 453 S N 0.451 116.217 115.700 0.110 0.000 2.368 453 S HA -0.144 3.698 4.470 -1.046 0.000 0.225 453 S C 2.110 176.828 174.600 0.196 0.000 1.030 453 S CA 1.273 59.594 58.200 0.203 0.000 0.999 453 S CB -0.210 63.127 63.200 0.227 0.000 0.844 453 S HN 0.223 nan 8.310 nan 0.000 0.459 454 V N 1.424 121.395 119.914 0.094 0.000 2.332 454 V HA -0.113 3.379 4.120 -1.046 0.000 0.248 454 V C 2.696 178.784 176.094 -0.009 0.000 1.055 454 V CA 1.965 64.284 62.300 0.032 0.000 1.038 454 V CB -1.489 30.290 31.823 -0.074 0.000 0.651 454 V HN 0.636 nan 8.190 nan 0.000 0.450 455 G N -0.305 108.484 108.800 -0.018 0.000 2.421 455 G HA2 -0.248 3.085 3.960 -1.046 0.000 0.216 455 G HA3 -0.248 3.085 3.960 -1.046 0.000 0.216 455 G C 1.640 176.564 174.900 0.040 0.000 1.171 455 G CA 0.887 45.988 45.100 0.002 0.000 0.775 455 G HN 0.494 nan 8.290 nan 0.000 0.543 456 K N -0.385 120.072 120.400 0.095 0.000 2.097 456 K HA 0.007 3.699 4.320 -1.046 0.000 0.206 456 K C 2.344 179.028 176.600 0.141 0.000 1.049 456 K CA 0.948 57.330 56.287 0.158 0.000 0.933 456 K CB -0.265 32.385 32.500 0.250 0.000 0.717 456 K HN 0.285 nan 8.250 nan 0.000 0.442 457 L N 1.500 122.731 121.223 0.014 0.000 2.027 457 L HA -0.101 3.611 4.340 -1.046 0.000 0.206 457 L C 1.920 178.664 176.870 -0.209 0.000 1.074 457 L CA 1.513 56.134 54.840 -0.364 0.000 0.745 457 L CB -0.238 41.478 42.059 -0.571 0.000 0.898 457 L HN 0.113 nan 8.230 nan 0.000 0.433 458 I N -0.121 120.378 120.570 -0.118 0.000 2.286 458 I HA -0.279 3.263 4.170 -1.046 0.000 0.248 458 I C 2.194 178.289 176.117 -0.038 0.000 1.115 458 I CA 1.635 62.881 61.300 -0.090 0.000 1.392 458 I CB -0.477 37.492 38.000 -0.052 0.000 1.065 458 I HN 0.397 nan 8.210 nan 0.000 0.418 459 D N 0.890 121.290 120.400 0.000 0.000 2.117 459 D HA -0.264 3.748 4.640 -1.046 0.000 0.197 459 D C 1.788 178.117 176.300 0.049 0.000 0.987 459 D CA 1.607 55.626 54.000 0.031 0.000 0.829 459 D CB -0.079 40.752 40.800 0.051 0.000 0.961 459 D HN 0.304 nan 8.370 nan 0.000 0.460 460 D N -0.976 119.463 120.400 0.066 0.000 2.144 460 D HA -0.085 3.927 4.640 -1.046 0.000 0.200 460 D C 2.172 178.546 176.300 0.123 0.000 0.978 460 D CA 0.969 55.041 54.000 0.122 0.000 0.833 460 D CB -0.076 40.845 40.800 0.202 0.000 0.961 460 D HN 0.304 nan 8.370 nan 0.000 0.470 461 I N -0.062 120.531 120.570 0.039 0.000 2.202 461 I HA -0.188 3.355 4.170 -1.046 0.000 0.242 461 I C 2.245 178.390 176.117 0.048 0.000 1.091 461 I CA 1.619 62.936 61.300 0.029 0.000 1.368 461 I CB -0.369 37.536 38.000 -0.158 0.000 1.058 461 I HN 0.207 nan 8.210 nan 0.000 0.410 462 T N -1.806 112.760 114.554 0.021 0.000 3.107 462 T HA 0.226 3.948 4.350 -1.046 0.000 0.249 462 T C 1.019 175.741 174.700 0.037 0.000 1.096 462 T CA 0.064 62.180 62.100 0.026 0.000 1.012 462 T CB -0.496 68.379 68.868 0.011 0.000 0.977 462 T HN 0.260 nan 8.240 nan 0.000 0.527 463 G N 0.000 108.828 108.800 0.047 0.000 5.446 463 G HA2 0.000 3.332 3.960 -1.046 0.000 0.244 463 G HA3 0.000 3.332 3.960 -1.046 0.000 0.244 463 G CA 0.000 45.129 45.100 0.048 0.000 0.502 463 G HN 0.000 nan 8.290 nan 0.000 0.925