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 1w27_1_A DATA FIRST_RESID 25 DATA SEQUENCE EDPLYWGIAA EAMTGSHLDE VKKMVAEYRK PVVKLGGETL TISQVAAISA DATA SEQUENCE RDGSGVTVEL SEAARAGVKA SSDWVMDSMN KGTDSYGVTT GFGATSHRRT DATA SEQUENCE KQGGALQKEL IRFLNAGIFG NGSDNTLPHS ATRAAMLVRI NTLLQGYSGI DATA SEQUENCE RFEILEAITK FLNQNITPCL PLRGTITXXX DLVPLSYIAG LLTGRPNSKA DATA SEQUENCE VGPTGVILSP EEAFKLAGVE GGFFELQPKE GLALVNGTAV GSGMASMVLF DATA SEQUENCE EANILAVLAE VMSAIFAEVM QGKPEFTDHL THKLKHHPGQ IEAAAIMEHI DATA SEQUENCE LDGSAYVKAA QKLHEMDPLQ KPKQDRYALR TSPQWLGPQI EVIRSSTKMI DATA SEQUENCE EREINSVNDN PLIDVSRNKA IHGGNFQGTP IGVSMDNTRL AIAAIGKLMF DATA SEQUENCE AQFSELVNDF YNNGLPSNLS GGRNPSLDYG FKGAEIAMAS YCSELQFLAN DATA SEQUENCE PVTNHVQSAE QHNQDVNSLG LISSRKTSEA VEILKLMSTT FLVGLCQAID DATA SEQUENCE LRHLEENLKS TVKNTVSSVA KRVLTMGVNG ELHPSRFCEK DLLRVVDREY DATA SEQUENCE IFAYIDDPCS ATYPLMQKLR QTLVEHALKN GDNERNLSTS IFQKIATFED DATA SEQUENCE ELKALLPKEV ESARAALESG NPAIPNRIEE CRSYPLYKFV RKELGTEYLT DATA SEQUENCE GEKVTSPGEE FEKVFIAMSK GEIIDPLLEC LESWNGAPLP IC 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 25 E HA 0.000 nan 4.350 nan 0.000 0.291 25 E C 0.000 176.570 176.600 -0.051 0.000 1.382 25 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 25 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 26 D N 2.651 122.991 120.400 -0.099 0.000 2.772 26 D HA 0.284 4.925 4.640 0.001 0.000 0.326 26 D C -1.594 174.558 176.300 -0.246 0.000 1.207 26 D CA -1.354 52.569 54.000 -0.128 0.000 0.777 26 D CB 0.771 41.483 40.800 -0.148 0.000 1.169 26 D HN 0.082 nan 8.370 nan 0.000 0.506 27 P HA -0.042 nan 4.420 nan 0.000 0.223 27 P C 0.994 178.255 177.300 -0.066 0.000 1.151 27 P CA 0.555 63.580 63.100 -0.125 0.000 0.787 27 P CB 0.550 32.236 31.700 -0.023 0.000 0.788 28 L N -3.288 117.946 121.223 0.018 0.000 2.808 28 L HA 0.257 4.597 4.340 0.001 0.000 0.246 28 L C 0.189 177.128 176.870 0.115 0.000 1.153 28 L CA -0.247 54.674 54.840 0.134 0.000 0.956 28 L CB -0.410 41.770 42.059 0.202 0.000 1.270 28 L HN -0.179 nan 8.230 nan 0.000 0.528 29 Y N -3.704 116.565 120.300 -0.051 0.000 4.729 29 Y HA -0.307 4.244 4.550 0.002 0.000 0.239 29 Y C 1.287 177.137 175.900 -0.082 0.000 1.043 29 Y CA 0.426 58.476 58.100 -0.084 0.000 2.045 29 Y CB -2.590 35.785 38.460 -0.142 0.000 1.599 29 Y HN 0.224 nan 8.280 nan 0.000 0.655 30 W N -0.265 121.079 121.300 0.073 0.000 2.388 30 W HA -0.007 4.654 4.660 0.002 0.000 0.294 30 W C 2.395 178.930 176.519 0.027 0.000 1.212 30 W CA 1.503 58.875 57.345 0.044 0.000 1.271 30 W CB -0.730 28.742 29.460 0.021 0.000 1.126 30 W HN 0.273 nan 8.180 nan 0.000 0.535 31 G N 0.617 109.556 108.800 0.231 0.000 2.421 31 G HA2 -0.298 3.663 3.960 0.001 0.000 0.216 31 G HA3 -0.298 3.663 3.960 0.001 0.000 0.216 31 G C 1.462 176.420 174.900 0.097 0.000 1.171 31 G CA 1.187 46.362 45.100 0.124 0.000 0.775 31 G HN 0.306 nan 8.290 nan 0.000 0.543 32 I N 0.947 121.568 120.570 0.086 0.000 2.286 32 I HA -0.065 4.106 4.170 0.001 0.000 0.248 32 I C 3.017 179.186 176.117 0.087 0.000 1.115 32 I CA 1.465 62.815 61.300 0.084 0.000 1.392 32 I CB -0.053 38.014 38.000 0.112 0.000 1.065 32 I HN 0.212 nan 8.210 nan 0.000 0.418 33 A N 0.692 123.572 122.820 0.100 0.000 1.902 33 A HA -0.175 4.146 4.320 0.001 0.000 0.217 33 A C 2.467 180.113 177.584 0.103 0.000 1.181 33 A CA 1.792 53.881 52.037 0.086 0.000 0.623 33 A CB -1.089 17.954 19.000 0.071 0.000 0.818 33 A HN 0.573 nan 8.150 nan 0.000 0.443 34 A N -0.255 122.641 122.820 0.128 0.000 1.898 34 A HA -0.124 4.197 4.320 0.001 0.000 0.216 34 A C 1.961 179.590 177.584 0.076 0.000 1.181 34 A CA 2.088 54.190 52.037 0.108 0.000 0.620 34 A CB -0.454 18.612 19.000 0.109 0.000 0.819 34 A HN 0.545 nan 8.150 nan 0.000 0.442 35 E N 0.650 120.890 120.200 0.068 0.000 2.153 35 E HA -0.043 4.308 4.350 0.001 0.000 0.194 35 E C 1.733 178.363 176.600 0.049 0.000 0.988 35 E CA 1.409 57.840 56.400 0.052 0.000 0.811 35 E CB -0.494 29.233 29.700 0.045 0.000 0.746 35 E HN 0.457 nan 8.360 nan 0.000 0.466 36 A N 0.036 122.888 122.820 0.054 0.000 2.216 36 A HA -0.011 4.310 4.320 0.001 0.000 0.214 36 A C 1.628 179.244 177.584 0.054 0.000 1.160 36 A CA 0.996 53.063 52.037 0.050 0.000 0.725 36 A CB -0.250 18.779 19.000 0.048 0.000 0.784 36 A HN 0.302 nan 8.150 nan 0.000 0.472 37 M N 0.890 120.525 119.600 0.058 0.000 2.576 37 M HA 0.085 4.566 4.480 0.001 0.000 0.322 37 M C 0.232 176.566 176.300 0.057 0.000 1.184 37 M CA 0.204 55.540 55.300 0.061 0.000 0.967 37 M CB -0.122 32.516 32.600 0.063 0.000 1.372 37 M HN 0.438 nan 8.290 nan 0.000 0.509 38 T N -1.543 113.041 114.554 0.049 0.000 2.902 38 T HA 0.772 5.123 4.350 0.001 0.000 0.280 38 T C 0.637 175.360 174.700 0.039 0.000 0.992 38 T CA 0.078 62.203 62.100 0.042 0.000 1.015 38 T CB 2.072 70.960 68.868 0.033 0.000 1.044 38 T HN 0.544 nan 8.240 nan 0.000 0.520 39 G N 1.171 109.990 108.800 0.031 0.000 2.758 39 G HA2 0.103 4.064 3.960 0.001 0.000 0.686 39 G HA3 0.103 4.064 3.960 0.001 0.000 0.686 39 G C -0.124 174.802 174.900 0.044 0.000 1.389 39 G CA -0.455 44.658 45.100 0.021 0.000 0.845 39 G HN 1.861 nan 8.290 nan 0.000 0.572 40 S N -0.771 114.950 115.700 0.035 0.000 2.585 40 S HA 0.379 4.849 4.470 0.001 0.000 0.273 40 S C 1.166 175.835 174.600 0.114 0.000 1.339 40 S CA 0.890 59.141 58.200 0.085 0.000 1.028 40 S CB 1.457 64.701 63.200 0.074 0.000 0.906 40 S HN 1.651 nan 8.310 nan 0.000 0.528 41 H N 1.471 120.579 119.070 0.063 0.000 2.387 41 H HA -0.044 4.513 4.556 0.001 0.000 0.299 41 H C 1.633 176.993 175.328 0.052 0.000 1.090 41 H CA 2.056 58.134 56.048 0.049 0.000 1.332 41 H CB -0.337 29.452 29.762 0.045 0.000 1.386 41 H HN 0.549 nan 8.280 nan 0.000 0.516 42 L N 0.438 121.649 121.223 -0.019 0.000 2.046 42 L HA -0.136 4.205 4.340 0.001 0.000 0.208 42 L C 1.518 178.342 176.870 -0.078 0.000 1.077 42 L CA 2.055 56.858 54.840 -0.061 0.000 0.747 42 L CB -0.614 41.548 42.059 0.171 0.000 0.896 42 L HN 0.264 nan 8.230 nan 0.000 0.432 43 D N -0.658 119.720 120.400 -0.036 0.000 2.144 43 D HA -0.198 4.443 4.640 0.001 0.000 0.200 43 D C 2.071 178.341 176.300 -0.051 0.000 0.978 43 D CA 1.146 55.121 54.000 -0.042 0.000 0.833 43 D CB 0.084 40.861 40.800 -0.040 0.000 0.961 43 D HN 0.510 nan 8.370 nan 0.000 0.470 44 E N 0.157 120.320 120.200 -0.060 0.000 2.058 44 E HA -0.152 4.199 4.350 0.001 0.000 0.194 44 E C 2.025 178.565 176.600 -0.100 0.000 0.997 44 E CA 0.896 57.263 56.400 -0.055 0.000 0.801 44 E CB 0.162 29.849 29.700 -0.021 0.000 0.746 44 E HN 0.005 nan 8.360 nan 0.000 0.450 45 V N 1.105 120.891 119.914 -0.213 0.000 2.358 45 V HA -0.245 3.876 4.120 0.001 0.000 0.246 45 V C 2.214 178.234 176.094 -0.123 0.000 1.047 45 V CA 1.851 64.019 62.300 -0.221 0.000 1.035 45 V CB -0.414 31.208 31.823 -0.335 0.000 0.658 45 V HN 0.236 nan 8.190 nan 0.000 0.452 46 K N 0.238 120.584 120.400 -0.090 0.000 2.063 46 K HA -0.269 4.051 4.320 0.001 0.000 0.208 46 K C 2.273 178.866 176.600 -0.011 0.000 1.048 46 K CA 1.888 58.148 56.287 -0.044 0.000 0.928 46 K CB -0.248 32.234 32.500 -0.031 0.000 0.713 46 K HN 0.406 nan 8.250 nan 0.000 0.442 47 K N 1.162 121.557 120.400 -0.007 0.000 2.057 47 K HA -0.130 4.191 4.320 0.001 0.000 0.207 47 K C 2.224 178.858 176.600 0.058 0.000 1.049 47 K CA 1.222 57.522 56.287 0.021 0.000 0.931 47 K CB -0.061 32.448 32.500 0.015 0.000 0.714 47 K HN 0.057 nan 8.250 nan 0.000 0.440 48 M N 0.593 120.228 119.600 0.058 0.000 2.080 48 M HA -0.183 4.298 4.480 0.001 0.000 0.260 48 M C 1.849 178.297 176.300 0.247 0.000 1.068 48 M CA 1.595 56.982 55.300 0.146 0.000 1.109 48 M CB 0.047 32.695 32.600 0.081 0.000 1.342 48 M HN 0.072 nan 8.290 nan 0.000 0.405 49 V N 0.453 120.451 119.914 0.140 0.000 2.358 49 V HA -0.236 3.885 4.120 0.001 0.000 0.246 49 V C 2.600 178.801 176.094 0.178 0.000 1.047 49 V CA 1.887 64.286 62.300 0.164 0.000 1.035 49 V CB -1.326 30.512 31.823 0.025 0.000 0.658 49 V HN 0.639 nan 8.190 nan 0.000 0.452 50 A N -0.334 122.553 122.820 0.112 0.000 1.933 50 A HA -0.235 4.085 4.320 0.001 0.000 0.218 50 A C 2.153 179.802 177.584 0.108 0.000 1.175 50 A CA 1.859 53.951 52.037 0.092 0.000 0.628 50 A CB -0.435 18.598 19.000 0.054 0.000 0.814 50 A HN 0.631 nan 8.150 nan 0.000 0.444 51 E N -1.599 118.673 120.200 0.121 0.000 2.051 51 E HA -0.216 4.135 4.350 0.001 0.000 0.192 51 E C 1.847 178.513 176.600 0.110 0.000 0.991 51 E CA 1.406 57.865 56.400 0.099 0.000 0.799 51 E CB -0.372 29.386 29.700 0.097 0.000 0.748 51 E HN 0.775 nan 8.360 nan 0.000 0.449 52 Y N 1.560 121.892 120.300 0.053 0.000 2.193 52 Y HA -0.256 4.295 4.550 0.001 0.000 0.285 52 Y C 1.938 177.827 175.900 -0.018 0.000 1.166 52 Y CA 1.648 59.741 58.100 -0.013 0.000 1.181 52 Y CB 0.140 38.615 38.460 0.025 0.000 0.976 52 Y HN -0.153 nan 8.280 nan 0.000 0.520 53 R N 0.584 121.220 120.500 0.226 0.000 2.299 53 R HA 0.035 4.376 4.340 0.001 0.000 0.197 53 R C 0.254 176.576 176.300 0.037 0.000 0.971 53 R CA 0.104 56.294 56.100 0.150 0.000 1.030 53 R CB 0.023 30.418 30.300 0.158 0.000 0.932 53 R HN 0.171 nan 8.270 nan 0.000 0.477 54 K N 1.509 121.914 120.400 0.008 0.000 2.436 54 K HA 0.009 4.330 4.320 0.001 0.000 0.275 54 K C -1.496 175.079 176.600 -0.041 0.000 0.999 54 K CA -1.006 55.275 56.287 -0.011 0.000 0.980 54 K CB 0.589 33.084 32.500 -0.010 0.000 0.919 54 K HN -0.079 nan 8.250 nan 0.000 0.484 55 P HA -0.040 nan 4.420 nan 0.000 0.225 55 P C -0.258 177.015 177.300 -0.045 0.000 1.156 55 P CA 0.682 63.761 63.100 -0.036 0.000 0.787 55 P CB 0.435 32.124 31.700 -0.019 0.000 0.802 56 V N 0.686 120.575 119.914 -0.041 0.000 2.577 56 V HA 0.221 4.342 4.120 0.001 0.000 0.303 56 V C -0.155 175.913 176.094 -0.044 0.000 1.042 56 V CA -0.887 61.389 62.300 -0.039 0.000 0.872 56 V CB 2.814 34.623 31.823 -0.024 0.000 0.998 56 V HN -0.327 nan 8.190 nan 0.000 0.423 57 V N 5.428 125.311 119.914 -0.052 0.000 2.333 57 V HA 0.357 4.478 4.120 0.001 0.000 0.274 57 V C 0.163 176.237 176.094 -0.033 0.000 1.028 57 V CA -0.707 61.564 62.300 -0.050 0.000 0.851 57 V CB 1.120 32.902 31.823 -0.069 0.000 1.000 57 V HN 0.783 nan 8.190 nan 0.000 0.456 58 K N 6.216 126.603 120.400 -0.021 0.000 2.253 58 K HA 0.570 4.890 4.320 0.001 0.000 0.277 58 K C -0.898 175.698 176.600 -0.007 0.000 1.053 58 K CA -0.375 55.906 56.287 -0.009 0.000 0.892 58 K CB 1.436 33.935 32.500 -0.001 0.000 1.102 58 K HN 0.524 nan 8.250 nan 0.000 0.469 59 L N 1.625 122.844 121.223 -0.008 0.000 2.289 59 L HA 0.338 4.679 4.340 0.001 0.000 0.285 59 L C 1.110 177.988 176.870 0.012 0.000 1.049 59 L CA -0.214 54.622 54.840 -0.007 0.000 0.804 59 L CB 1.403 43.446 42.059 -0.027 0.000 1.195 59 L HN 0.919 nan 8.230 nan 0.000 0.428 60 G N 0.198 109.007 108.800 0.016 0.000 3.342 60 G HA2 0.394 4.355 3.960 0.001 0.000 0.252 60 G HA3 0.394 4.355 3.960 0.001 0.000 0.252 60 G C 0.849 175.767 174.900 0.029 0.000 1.011 60 G CA 0.456 45.574 45.100 0.031 0.000 0.869 60 G HN 0.911 nan 8.290 nan 0.000 0.514 61 G N 0.438 109.247 108.800 0.015 0.000 2.213 61 G HA2 -0.223 3.738 3.960 0.001 0.000 0.236 61 G HA3 -0.223 3.738 3.960 0.001 0.000 0.236 61 G C 0.642 175.548 174.900 0.010 0.000 0.991 61 G CA 0.624 45.733 45.100 0.014 0.000 0.629 61 G HN 0.510 nan 8.290 nan 0.000 0.517 62 E N -0.850 119.356 120.200 0.009 0.000 2.665 62 E HA 0.132 4.483 4.350 0.001 0.000 0.225 62 E C 1.380 177.983 176.600 0.005 0.000 0.922 62 E CA 0.798 57.201 56.400 0.005 0.000 1.242 62 E CB 0.785 30.492 29.700 0.012 0.000 1.197 62 E HN 0.546 nan 8.360 nan 0.000 0.581 63 T N -0.949 113.609 114.554 0.006 0.000 3.200 63 T HA 0.258 4.609 4.350 0.001 0.000 0.284 63 T C 0.162 174.866 174.700 0.007 0.000 1.009 63 T CA -0.440 61.665 62.100 0.008 0.000 0.907 63 T CB 0.037 68.911 68.868 0.010 0.000 1.120 63 T HN -0.098 nan 8.240 nan 0.000 0.534 64 L N 4.319 125.543 121.223 0.002 0.000 2.410 64 L HA 0.511 4.852 4.340 0.001 0.000 0.273 64 L C 0.329 177.205 176.870 0.010 0.000 1.152 64 L CA 0.563 55.403 54.840 -0.000 0.000 0.855 64 L CB 0.596 42.650 42.059 -0.007 0.000 1.129 64 L HN 0.499 nan 8.230 nan 0.000 0.463 65 T N 1.836 116.400 114.554 0.017 0.000 2.942 65 T HA 0.392 4.742 4.350 0.001 0.000 0.289 65 T C 1.506 176.236 174.700 0.049 0.000 1.044 65 T CA -0.171 61.952 62.100 0.040 0.000 1.023 65 T CB 0.922 69.823 68.868 0.055 0.000 1.123 65 T HN 0.644 nan 8.240 nan 0.000 0.512 66 I N -0.109 120.512 120.570 0.085 0.000 2.454 66 I HA -0.107 4.064 4.170 0.001 0.000 0.254 66 I C 2.286 178.481 176.117 0.129 0.000 1.156 66 I CA 1.584 62.951 61.300 0.113 0.000 1.433 66 I CB -0.828 37.267 38.000 0.158 0.000 1.082 66 I HN 0.694 nan 8.210 nan 0.000 0.432 67 S N 0.993 116.801 115.700 0.180 0.000 2.382 67 S HA -0.215 4.256 4.470 0.001 0.000 0.228 67 S C 1.986 176.555 174.600 -0.052 0.000 1.027 67 S CA 1.203 59.498 58.200 0.159 0.000 0.991 67 S CB -0.725 62.644 63.200 0.280 0.000 0.823 67 S HN 0.658 nan 8.310 nan 0.000 0.469 68 Q N 0.655 120.429 119.800 -0.043 0.000 2.079 68 Q HA -0.002 4.339 4.340 0.001 0.000 0.200 68 Q C 2.428 178.347 176.000 -0.135 0.000 0.974 68 Q CA 1.486 57.225 55.803 -0.108 0.000 0.840 68 Q CB -0.487 28.216 28.738 -0.059 0.000 0.898 68 Q HN 0.494 nan 8.270 nan 0.000 0.430 69 V N 1.109 120.975 119.914 -0.080 0.000 2.343 69 V HA -0.295 3.826 4.120 0.001 0.000 0.247 69 V C 2.288 178.314 176.094 -0.114 0.000 1.051 69 V CA 1.885 64.141 62.300 -0.072 0.000 1.036 69 V CB -1.007 30.802 31.823 -0.023 0.000 0.654 69 V HN 0.394 nan 8.190 nan 0.000 0.451 70 A N -0.009 122.716 122.820 -0.159 0.000 1.902 70 A HA -0.105 4.216 4.320 0.001 0.000 0.217 70 A C 2.438 179.863 177.584 -0.265 0.000 1.181 70 A CA 2.087 54.000 52.037 -0.208 0.000 0.623 70 A CB -0.796 17.888 19.000 -0.526 0.000 0.818 70 A HN 0.570 nan 8.150 nan 0.000 0.443 71 A N -0.049 122.425 122.820 -0.577 0.000 1.902 71 A HA -0.071 4.249 4.320 0.001 0.000 0.217 71 A C 1.969 179.305 177.584 -0.414 0.000 1.181 71 A CA 1.706 53.193 52.037 -0.916 0.000 0.623 71 A CB -0.467 17.952 19.000 -0.968 0.000 0.818 71 A HN 0.407 nan 8.150 nan 0.000 0.443 72 I N 1.040 121.453 120.570 -0.261 0.000 2.439 72 I HA -0.154 4.017 4.170 0.001 0.000 0.251 72 I C 2.767 178.827 176.117 -0.096 0.000 1.139 72 I CA 1.856 63.067 61.300 -0.149 0.000 1.438 72 I CB -1.495 36.440 38.000 -0.109 0.000 1.085 72 I HN 0.526 nan 8.210 nan 0.000 0.427 73 S N 1.489 117.137 115.700 -0.087 0.000 2.399 73 S HA 0.039 4.510 4.470 0.001 0.000 0.231 73 S C 1.446 176.037 174.600 -0.015 0.000 1.022 73 S CA 0.312 58.492 58.200 -0.034 0.000 0.983 73 S CB -0.673 62.515 63.200 -0.020 0.000 0.803 73 S HN 0.347 nan 8.310 nan 0.000 0.480 74 A N 1.784 124.585 122.820 -0.031 0.000 2.561 74 A HA 0.345 4.666 4.320 0.001 0.000 0.234 74 A C 0.577 178.162 177.584 0.002 0.000 1.055 74 A CA -0.068 51.969 52.037 0.001 0.000 0.756 74 A CB -0.031 18.972 19.000 0.005 0.000 0.986 74 A HN 0.600 nan 8.150 nan 0.000 0.505 75 R N 1.485 122.000 120.500 0.024 0.000 2.748 75 R HA 0.224 4.565 4.340 0.001 0.000 0.283 75 R C -1.000 175.317 176.300 0.029 0.000 1.507 75 R CA 0.016 56.131 56.100 0.025 0.000 1.666 75 R CB 0.541 30.867 30.300 0.043 0.000 1.237 75 R HN 0.830 nan 8.270 nan 0.000 0.633 76 D N -0.792 119.622 120.400 0.024 0.000 2.556 76 D HA 0.082 4.723 4.640 0.001 0.000 0.237 76 D C 0.913 177.228 176.300 0.024 0.000 1.296 76 D CA 0.025 54.043 54.000 0.030 0.000 0.807 76 D CB 0.667 41.493 40.800 0.043 0.000 1.084 76 D HN 0.310 nan 8.370 nan 0.000 0.510 77 G N 1.060 109.868 108.800 0.013 0.000 2.176 77 G HA2 -0.343 3.618 3.960 0.001 0.000 0.252 77 G HA3 -0.343 3.618 3.960 0.001 0.000 0.252 77 G C 1.084 175.988 174.900 0.008 0.000 1.024 77 G CA 0.821 45.927 45.100 0.009 0.000 0.755 77 G HN 0.755 nan 8.290 nan 0.000 0.507 78 S N -0.973 114.729 115.700 0.003 0.000 2.447 78 S HA 0.314 4.785 4.470 0.001 0.000 0.233 78 S C 2.413 177.004 174.600 -0.014 0.000 1.006 78 S CA 1.513 59.714 58.200 0.000 0.000 0.957 78 S CB -0.088 63.104 63.200 -0.013 0.000 0.773 78 S HN 2.413 nan 8.310 nan 0.000 0.507 79 G N 0.238 109.026 108.800 -0.021 0.000 2.157 79 G HA2 -0.243 3.718 3.960 0.001 0.000 0.248 79 G HA3 -0.243 3.718 3.960 0.001 0.000 0.248 79 G C 0.135 175.012 174.900 -0.037 0.000 0.979 79 G CA 0.090 45.177 45.100 -0.022 0.000 0.650 79 G HN 1.026 nan 8.290 nan 0.000 0.529 80 V N 2.240 122.118 119.914 -0.060 0.000 2.655 80 V HA 0.603 4.724 4.120 0.001 0.000 0.300 80 V C 0.962 177.017 176.094 -0.066 0.000 1.044 80 V CA 1.250 63.502 62.300 -0.080 0.000 1.095 80 V CB 1.150 32.889 31.823 -0.140 0.000 0.952 80 V HN 1.074 nan 8.190 nan 0.000 0.485 81 T N 3.850 118.370 114.554 -0.058 0.000 2.924 81 T HA 0.732 5.082 4.350 0.001 0.000 0.291 81 T C -0.762 173.908 174.700 -0.050 0.000 1.045 81 T CA -0.803 61.269 62.100 -0.047 0.000 1.015 81 T CB 1.729 70.576 68.868 -0.035 0.000 1.103 81 T HN 0.496 nan 8.240 nan 0.000 0.496 82 V N 1.737 121.623 119.914 -0.046 0.000 2.483 82 V HA 0.549 4.670 4.120 0.001 0.000 0.295 82 V C -0.158 175.915 176.094 -0.036 0.000 1.035 82 V CA -0.688 61.585 62.300 -0.045 0.000 0.896 82 V CB 1.351 33.144 31.823 -0.050 0.000 0.986 82 V HN 0.977 nan 8.190 nan 0.000 0.447 83 E N 4.055 124.239 120.200 -0.026 0.000 2.272 83 E HA 0.563 4.913 4.350 0.001 0.000 0.269 83 E C -1.448 175.152 176.600 0.001 0.000 0.877 83 E CA -0.738 55.656 56.400 -0.010 0.000 0.755 83 E CB 2.652 32.351 29.700 -0.001 0.000 1.192 83 E HN 0.499 nan 8.360 nan 0.000 0.422 84 L N 1.797 123.034 121.223 0.024 0.000 2.289 84 L HA 0.303 4.644 4.340 0.001 0.000 0.285 84 L C 0.501 177.450 176.870 0.131 0.000 1.049 84 L CA -0.645 54.232 54.840 0.061 0.000 0.804 84 L CB 1.499 43.581 42.059 0.039 0.000 1.195 84 L HN 0.440 nan 8.230 nan 0.000 0.428 85 S N 1.690 117.461 115.700 0.119 0.000 2.498 85 S HA 0.009 4.479 4.470 0.001 0.000 0.281 85 S C 1.163 175.841 174.600 0.130 0.000 1.265 85 S CA -0.502 57.757 58.200 0.100 0.000 1.071 85 S CB 0.480 63.721 63.200 0.069 0.000 0.894 85 S HN 0.581 nan 8.310 nan 0.000 0.491 86 E N 4.093 124.327 120.200 0.055 0.000 2.204 86 E HA -0.103 4.248 4.350 0.001 0.000 0.194 86 E C 2.177 178.741 176.600 -0.060 0.000 0.989 86 E CA 1.128 57.507 56.400 -0.034 0.000 0.824 86 E CB -0.467 29.204 29.700 -0.048 0.000 0.756 86 E HN 0.815 nan 8.360 nan 0.000 0.477 87 A N 1.162 123.974 122.820 -0.014 0.000 2.024 87 A HA -0.103 4.218 4.320 0.001 0.000 0.220 87 A C 2.310 179.887 177.584 -0.012 0.000 1.164 87 A CA 1.721 53.748 52.037 -0.017 0.000 0.643 87 A CB -0.310 18.690 19.000 -0.001 0.000 0.806 87 A HN 0.245 nan 8.150 nan 0.000 0.451 88 A N -0.729 122.111 122.820 0.033 0.000 2.119 88 A HA 0.015 4.336 4.320 0.001 0.000 0.216 88 A C 2.087 179.698 177.584 0.045 0.000 1.152 88 A CA 1.074 53.156 52.037 0.075 0.000 0.708 88 A CB -0.437 18.667 19.000 0.173 0.000 0.805 88 A HN 0.549 nan 8.150 nan 0.000 0.460 89 R N -0.009 120.407 120.500 -0.141 0.000 2.103 89 R HA -0.186 4.155 4.340 0.001 0.000 0.242 89 R C 2.242 178.424 176.300 -0.197 0.000 1.142 89 R CA 1.602 57.439 56.100 -0.438 0.000 0.960 89 R CB -0.373 29.474 30.300 -0.755 0.000 0.858 89 R HN 0.445 nan 8.270 nan 0.000 0.439 90 A N -0.037 122.702 122.820 -0.135 0.000 1.902 90 A HA -0.083 4.237 4.320 0.001 0.000 0.217 90 A C 2.332 179.877 177.584 -0.066 0.000 1.181 90 A CA 1.760 53.743 52.037 -0.091 0.000 0.623 90 A CB -1.137 17.819 19.000 -0.074 0.000 0.818 90 A HN 0.589 nan 8.150 nan 0.000 0.443 91 G N -0.806 107.954 108.800 -0.067 0.000 2.408 91 G HA2 -0.031 3.930 3.960 0.001 0.000 0.217 91 G HA3 -0.031 3.930 3.960 0.001 0.000 0.217 91 G C 1.482 176.338 174.900 -0.073 0.000 1.150 91 G CA 1.106 46.147 45.100 -0.098 0.000 0.776 91 G HN 0.305 nan 8.290 nan 0.000 0.542 92 V N 0.792 120.708 119.914 0.004 0.000 2.295 92 V HA -0.157 3.964 4.120 0.001 0.000 0.246 92 V C 2.672 178.801 176.094 0.058 0.000 1.049 92 V CA 2.246 64.588 62.300 0.069 0.000 1.024 92 V CB -0.396 31.577 31.823 0.251 0.000 0.648 92 V HN 0.406 nan 8.190 nan 0.000 0.447 93 K N 0.132 120.553 120.400 0.035 0.000 2.097 93 K HA -0.184 4.137 4.320 0.001 0.000 0.206 93 K C 2.199 178.821 176.600 0.036 0.000 1.049 93 K CA 1.506 57.812 56.287 0.031 0.000 0.933 93 K CB -0.313 32.181 32.500 -0.010 0.000 0.717 93 K HN 0.432 nan 8.250 nan 0.000 0.442 94 A N 0.928 123.755 122.820 0.011 0.000 1.883 94 A HA -0.187 4.134 4.320 0.001 0.000 0.217 94 A C 2.130 179.758 177.584 0.073 0.000 1.186 94 A CA 2.354 54.408 52.037 0.028 0.000 0.624 94 A CB -0.746 18.240 19.000 -0.023 0.000 0.822 94 A HN 0.565 nan 8.150 nan 0.000 0.444 95 S N -1.021 114.693 115.700 0.023 0.000 2.414 95 S HA -0.097 4.374 4.470 0.001 0.000 0.227 95 S C 2.120 176.810 174.600 0.150 0.000 1.022 95 S CA 1.385 59.617 58.200 0.054 0.000 0.958 95 S CB -0.634 62.534 63.200 -0.054 0.000 0.797 95 S HN 0.575 nan 8.310 nan 0.000 0.493 96 S N 2.050 117.817 115.700 0.112 0.000 2.356 96 S HA -0.168 4.303 4.470 0.001 0.000 0.223 96 S C 1.557 176.237 174.600 0.133 0.000 1.032 96 S CA 1.572 59.844 58.200 0.119 0.000 1.005 96 S CB -0.903 62.355 63.200 0.095 0.000 0.867 96 S HN 0.510 nan 8.310 nan 0.000 0.449 97 D N 0.108 120.582 120.400 0.122 0.000 2.123 97 D HA -0.124 4.517 4.640 0.001 0.000 0.196 97 D C 1.350 177.734 176.300 0.140 0.000 0.992 97 D CA 1.128 55.193 54.000 0.108 0.000 0.833 97 D CB -0.568 40.284 40.800 0.087 0.000 0.954 97 D HN 0.675 nan 8.370 nan 0.000 0.455 98 W N 1.193 122.501 121.300 0.013 0.000 2.335 98 W HA -0.217 4.443 4.660 0.001 0.000 0.311 98 W C 2.183 178.720 176.519 0.030 0.000 1.213 98 W CA 1.270 58.626 57.345 0.018 0.000 1.274 98 W CB -0.258 29.208 29.460 0.011 0.000 1.148 98 W HN -0.227 nan 8.180 nan 0.000 0.498 99 V N 0.859 121.003 119.914 0.384 0.000 2.343 99 V HA -0.365 3.755 4.120 0.001 0.000 0.247 99 V C 2.334 178.450 176.094 0.038 0.000 1.051 99 V CA 1.959 64.406 62.300 0.246 0.000 1.036 99 V CB -0.850 31.128 31.823 0.258 0.000 0.654 99 V HN 0.168 nan 8.190 nan 0.000 0.451 100 M N -0.311 119.315 119.600 0.044 0.000 2.159 100 M HA -0.146 4.335 4.480 0.001 0.000 0.263 100 M C 1.905 178.171 176.300 -0.056 0.000 1.063 100 M CA 1.573 56.877 55.300 0.007 0.000 1.110 100 M CB -1.363 31.254 32.600 0.029 0.000 1.374 100 M HN 0.357 nan 8.290 nan 0.000 0.411 101 D N -0.610 119.724 120.400 -0.110 0.000 2.183 101 D HA -0.081 4.560 4.640 0.001 0.000 0.203 101 D C 2.094 178.242 176.300 -0.254 0.000 0.969 101 D CA 1.113 55.011 54.000 -0.170 0.000 0.842 101 D CB -0.222 40.462 40.800 -0.193 0.000 0.957 101 D HN 0.281 nan 8.370 nan 0.000 0.484 102 S N -0.289 115.177 115.700 -0.389 0.000 2.447 102 S HA -0.088 4.383 4.470 0.001 0.000 0.233 102 S C 1.807 176.303 174.600 -0.174 0.000 1.006 102 S CA 0.544 58.490 58.200 -0.423 0.000 0.957 102 S CB -0.073 62.725 63.200 -0.671 0.000 0.773 102 S HN 0.011 nan 8.310 nan 0.000 0.507 103 M N 1.691 121.226 119.600 -0.108 0.000 2.175 103 M HA 0.122 4.603 4.480 0.001 0.000 0.264 103 M C 0.216 176.484 176.300 -0.052 0.000 1.063 103 M CA 0.642 55.913 55.300 -0.049 0.000 1.119 103 M CB -1.727 30.860 32.600 -0.021 0.000 1.377 103 M HN 0.164 nan 8.290 nan 0.000 0.415 104 N N 3.488 122.149 118.700 -0.066 0.000 2.406 104 N HA 0.036 4.777 4.740 0.001 0.000 0.274 104 N C 0.046 175.524 175.510 -0.054 0.000 1.249 104 N CA 0.303 53.319 53.050 -0.056 0.000 0.951 104 N CB 0.162 38.616 38.487 -0.056 0.000 1.241 104 N HN 0.395 nan 8.380 nan 0.000 0.485 105 K N 0.210 120.581 120.400 -0.048 0.000 2.238 105 K HA 0.666 4.987 4.320 0.001 0.000 0.239 105 K C 0.860 177.428 176.600 -0.052 0.000 0.987 105 K CA -0.362 55.893 56.287 -0.054 0.000 0.857 105 K CB 1.445 33.899 32.500 -0.076 0.000 1.154 105 K HN 0.311 nan 8.250 nan 0.000 0.439 106 G N 0.996 109.758 108.800 -0.063 0.000 5.306 106 G HA2 -0.345 3.616 3.960 0.001 0.000 0.318 106 G HA3 -0.345 3.616 3.960 0.001 0.000 0.318 106 G C 0.670 175.560 174.900 -0.016 0.000 1.413 106 G CA 0.587 45.655 45.100 -0.053 0.000 0.981 106 G HN 0.621 nan 8.290 nan 0.000 0.788 107 T N 1.556 116.099 114.554 -0.018 0.000 3.366 107 T HA 0.431 4.782 4.350 0.001 0.000 0.249 107 T C 0.549 175.244 174.700 -0.008 0.000 1.028 107 T CA 1.211 63.306 62.100 -0.009 0.000 0.938 107 T CB -0.023 68.837 68.868 -0.013 0.000 1.046 107 T HN 0.523 nan 8.240 nan 0.000 0.587 108 D N -0.819 119.578 120.400 -0.006 0.000 2.519 108 D HA 0.227 4.868 4.640 0.001 0.000 0.114 108 D C 1.163 177.462 176.300 -0.003 0.000 1.463 108 D CA -0.124 53.869 54.000 -0.012 0.000 1.454 108 D CB 0.371 41.154 40.800 -0.029 0.000 2.156 108 D HN 0.098 nan 8.370 nan 0.000 0.210 109 S N -1.236 114.461 115.700 -0.005 0.000 3.853 109 S HA 0.429 4.900 4.470 0.001 0.000 0.186 109 S C -0.982 173.707 174.600 0.147 0.000 0.956 109 S CA -0.184 58.029 58.200 0.022 0.000 1.468 109 S CB 0.939 64.090 63.200 -0.080 0.000 0.854 109 S HN 0.215 nan 8.310 nan 0.000 0.807 110 Y N 0.096 120.349 120.300 -0.078 0.000 2.638 110 Y HA 0.532 5.083 4.550 0.002 0.000 0.339 110 Y C 1.143 177.024 175.900 -0.033 0.000 1.084 110 Y CA -0.425 57.653 58.100 -0.037 0.000 1.068 110 Y CB 0.699 39.153 38.460 -0.009 0.000 1.294 110 Y HN 0.554 nan 8.280 nan 0.000 0.480 111 G N 0.844 109.493 108.800 -0.252 0.000 2.907 111 G HA2 -0.148 3.813 3.960 0.001 0.000 0.235 111 G HA3 -0.148 3.813 3.960 0.001 0.000 0.235 111 G C -0.424 174.461 174.900 -0.024 0.000 1.198 111 G CA 1.738 46.746 45.100 -0.153 0.000 0.766 111 G HN 0.940 nan 8.290 nan 0.000 0.763 112 V N -2.160 117.784 119.914 0.051 0.000 2.966 112 V HA 0.383 4.503 4.120 0.001 0.000 0.288 112 V C 1.196 177.375 176.094 0.142 0.000 1.380 112 V CA 0.496 62.836 62.300 0.066 0.000 0.966 112 V CB 1.324 33.175 31.823 0.046 0.000 1.115 112 V HN 0.653 nan 8.190 nan 0.000 0.436 113 T N 3.365 118.014 114.554 0.159 0.000 2.399 113 T HA -0.110 4.241 4.350 0.001 0.000 0.242 113 T C 0.352 175.224 174.700 0.287 0.000 1.348 113 T CA 2.580 64.844 62.100 0.274 0.000 1.200 113 T CB -0.273 68.769 68.868 0.289 0.000 0.862 113 T HN 1.614 nan 8.240 nan 0.000 0.404 114 T N -1.958 112.745 114.554 0.249 0.000 3.692 114 T HA 0.369 4.719 4.350 0.001 0.000 0.392 114 T C 0.124 174.982 174.700 0.264 0.000 0.923 114 T CA -0.286 61.976 62.100 0.271 0.000 1.017 114 T CB -0.234 68.896 68.868 0.437 0.000 1.316 114 T HN 0.434 nan 8.240 nan 0.000 0.430 115 G N 1.462 110.408 108.800 0.244 0.000 2.600 115 G HA2 0.606 4.567 3.960 0.001 0.000 0.225 115 G HA3 0.606 4.567 3.960 0.001 0.000 0.225 115 G C 0.322 175.549 174.900 0.544 0.000 1.623 115 G CA 0.185 45.494 45.100 0.349 0.000 0.903 115 G HN 1.355 nan 8.290 nan 0.000 0.574 116 F N -1.844 118.157 119.950 0.086 0.000 2.496 116 F HA 0.582 5.110 4.527 0.001 0.000 0.373 116 F C -0.039 175.787 175.800 0.043 0.000 1.379 116 F CA -0.448 57.592 58.000 0.067 0.000 1.066 116 F CB 0.640 39.678 39.000 0.064 0.000 1.338 116 F HN 0.563 nan 8.300 nan 0.000 0.505 117 G N 1.290 110.039 108.800 -0.086 0.000 2.509 117 G HA2 0.451 4.412 3.960 0.001 0.000 0.216 117 G HA3 0.451 4.412 3.960 0.001 0.000 0.216 117 G C -0.825 174.023 174.900 -0.086 0.000 3.092 117 G CA -0.165 44.864 45.100 -0.119 0.000 0.700 117 G HN 0.710 nan 8.290 nan 0.000 0.451 118 A N 2.013 124.816 122.820 -0.028 0.000 2.475 118 A HA 0.726 5.047 4.320 0.001 0.000 0.293 118 A C 1.075 178.645 177.584 -0.023 0.000 1.252 118 A CA 1.010 53.041 52.037 -0.011 0.000 0.920 118 A CB 0.585 19.591 19.000 0.010 0.000 1.125 118 A HN 1.574 nan 8.150 nan 0.000 0.528 119 T N -0.134 114.406 114.554 -0.024 0.000 3.351 119 T HA 0.054 4.405 4.350 0.001 0.000 0.267 119 T C 0.913 175.619 174.700 0.010 0.000 0.841 119 T CA 0.899 62.988 62.100 -0.018 0.000 0.827 119 T CB -0.958 67.888 68.868 -0.036 0.000 1.230 119 T HN 1.152 nan 8.240 nan 0.000 0.696 120 S N -0.224 115.487 115.700 0.018 0.000 3.012 120 S HA 0.567 5.038 4.470 0.001 0.000 0.254 120 S C -0.381 174.338 174.600 0.199 0.000 1.030 120 S CA -0.714 57.530 58.200 0.073 0.000 1.053 120 S CB 0.362 63.538 63.200 -0.041 0.000 1.286 120 S HN 0.453 nan 8.310 nan 0.000 0.633 121 H N 0.630 119.687 119.070 -0.022 0.000 2.640 121 H HA 0.530 5.087 4.556 0.002 0.000 0.297 121 H C -0.718 174.613 175.328 0.004 0.000 1.073 121 H CA -0.476 55.567 56.048 -0.007 0.000 1.305 121 H CB 0.703 30.463 29.762 -0.003 0.000 1.404 121 H HN 0.336 nan 8.280 nan 0.000 0.459 122 R N 2.619 123.172 120.500 0.088 0.000 2.627 122 R HA 0.150 4.490 4.340 0.001 0.000 0.251 122 R C 0.057 176.377 176.300 0.034 0.000 1.524 122 R CA -0.453 55.686 56.100 0.064 0.000 1.606 122 R CB 0.284 30.620 30.300 0.061 0.000 1.396 122 R HN 0.698 nan 8.270 nan 0.000 0.724 123 R N -1.806 118.707 120.500 0.023 0.000 3.963 123 R HA -0.212 4.129 4.340 0.001 0.000 0.394 123 R C 0.222 176.518 176.300 -0.007 0.000 1.131 123 R CA 1.378 57.486 56.100 0.014 0.000 1.059 123 R CB -2.148 28.172 30.300 0.033 0.000 1.614 123 R HN 0.407 nan 8.270 nan 0.000 0.546 124 T N 0.685 115.223 114.554 -0.027 0.000 2.975 124 T HA 0.021 4.372 4.350 0.001 0.000 0.220 124 T C 1.370 176.043 174.700 -0.046 0.000 1.011 124 T CA 0.431 62.509 62.100 -0.036 0.000 1.880 124 T CB 0.044 68.885 68.868 -0.045 0.000 1.348 124 T HN 0.016 nan 8.240 nan 0.000 0.415 125 K N 1.633 121.992 120.400 -0.070 0.000 2.437 125 K HA 0.239 4.560 4.320 0.001 0.000 0.205 125 K C 1.305 177.833 176.600 -0.120 0.000 1.026 125 K CA 0.057 56.299 56.287 -0.075 0.000 1.153 125 K CB 0.387 32.846 32.500 -0.069 0.000 0.863 125 K HN 0.430 nan 8.250 nan 0.000 0.502 126 Q N -0.737 118.975 119.800 -0.147 0.000 2.986 126 Q HA 0.276 4.617 4.340 0.001 0.000 0.310 126 Q C 1.014 176.961 176.000 -0.088 0.000 1.148 126 Q CA 0.348 56.005 55.803 -0.242 0.000 0.373 126 Q CB -0.108 28.443 28.738 -0.311 0.000 5.539 126 Q HN 0.178 nan 8.270 nan 0.000 0.325 127 G N -1.675 107.117 108.800 -0.013 0.000 4.820 127 G HA2 0.325 4.286 3.960 0.001 0.000 0.223 127 G HA3 0.325 4.286 3.960 0.001 0.000 0.223 127 G C 0.419 175.358 174.900 0.066 0.000 1.029 127 G CA 0.442 45.562 45.100 0.032 0.000 1.144 127 G HN 0.777 nan 8.290 nan 0.000 0.618 128 G N -0.324 108.522 108.800 0.076 0.000 2.198 128 G HA2 0.078 4.039 3.960 0.001 0.000 0.257 128 G HA3 0.078 4.039 3.960 0.001 0.000 0.257 128 G C 1.348 176.306 174.900 0.095 0.000 1.042 128 G CA 1.202 46.354 45.100 0.086 0.000 0.791 128 G HN 1.744 nan 8.290 nan 0.000 0.502 129 A N -0.777 122.116 122.820 0.122 0.000 1.933 129 A HA 0.211 4.532 4.320 0.001 0.000 0.218 129 A C 2.362 179.988 177.584 0.069 0.000 1.175 129 A CA 2.119 54.216 52.037 0.099 0.000 0.628 129 A CB -0.166 18.904 19.000 0.116 0.000 0.814 129 A HN 1.356 nan 8.150 nan 0.000 0.444 130 L N -0.604 120.662 121.223 0.072 0.000 2.093 130 L HA -0.158 4.183 4.340 0.001 0.000 0.208 130 L C 2.278 179.218 176.870 0.117 0.000 1.085 130 L CA 2.032 56.909 54.840 0.062 0.000 0.755 130 L CB -0.571 41.504 42.059 0.027 0.000 0.904 130 L HN 0.321 nan 8.230 nan 0.000 0.435 131 Q N 0.069 119.933 119.800 0.106 0.000 2.119 131 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 131 Q C 2.218 178.259 176.000 0.068 0.000 0.972 131 Q CA 1.540 57.403 55.803 0.099 0.000 0.847 131 Q CB -0.346 28.444 28.738 0.085 0.000 0.903 131 Q HN 0.557 nan 8.270 nan 0.000 0.433 132 K N 0.572 121.010 120.400 0.063 0.000 2.057 132 K HA -0.188 4.133 4.320 0.001 0.000 0.207 132 K C 2.051 178.680 176.600 0.048 0.000 1.049 132 K CA 1.325 57.637 56.287 0.041 0.000 0.931 132 K CB -0.008 32.517 32.500 0.041 0.000 0.714 132 K HN 0.066 nan 8.250 nan 0.000 0.440 133 E N 1.494 121.749 120.200 0.091 0.000 2.072 133 E HA -0.184 4.167 4.350 0.001 0.000 0.191 133 E C 1.826 178.566 176.600 0.233 0.000 0.985 133 E CA 0.826 57.322 56.400 0.159 0.000 0.801 133 E CB -0.245 29.553 29.700 0.164 0.000 0.750 133 E HN 0.139 nan 8.360 nan 0.000 0.452 134 L N 0.263 121.597 121.223 0.185 0.000 1.989 134 L HA -0.161 4.180 4.340 0.001 0.000 0.211 134 L C 2.076 178.712 176.870 -0.390 0.000 1.071 134 L CA 1.732 56.548 54.840 -0.041 0.000 0.749 134 L CB -0.555 41.549 42.059 0.075 0.000 0.890 134 L HN 0.237 nan 8.230 nan 0.000 0.431 135 I N -0.516 119.935 120.570 -0.198 0.000 2.315 135 I HA -0.209 3.962 4.170 0.001 0.000 0.248 135 I C 2.659 178.628 176.117 -0.248 0.000 1.117 135 I CA 1.207 62.360 61.300 -0.245 0.000 1.404 135 I CB -1.439 36.467 38.000 -0.156 0.000 1.071 135 I HN 0.432 nan 8.210 nan 0.000 0.419 136 R N 1.413 121.838 120.500 -0.125 0.000 2.080 136 R HA -0.234 4.107 4.340 0.001 0.000 0.236 136 R C 2.638 178.929 176.300 -0.016 0.000 1.137 136 R CA 2.264 58.331 56.100 -0.055 0.000 0.943 136 R CB -0.509 29.810 30.300 0.032 0.000 0.846 136 R HN 0.413 nan 8.270 nan 0.000 0.431 137 F N -0.469 119.468 119.950 -0.022 0.000 2.325 137 F HA 0.059 4.585 4.527 -0.000 0.000 0.299 137 F C 1.540 177.324 175.800 -0.027 0.000 1.090 137 F CA 0.499 58.493 58.000 -0.010 0.000 1.392 137 F CB -0.278 38.732 39.000 0.018 0.000 1.053 137 F HN -0.062 nan 8.300 nan 0.000 0.521 138 L N 0.626 121.536 121.223 -0.523 0.000 2.313 138 L HA -0.037 4.304 4.340 0.001 0.000 0.214 138 L C 0.349 177.094 176.870 -0.209 0.000 1.119 138 L CA 0.417 55.025 54.840 -0.387 0.000 0.809 138 L CB -0.824 40.918 42.059 -0.528 0.000 0.933 138 L HN 0.067 nan 8.230 nan 0.000 0.449 139 N N 1.140 119.685 118.700 -0.258 0.000 2.892 139 N HA 0.130 4.870 4.740 0.001 0.000 0.300 139 N C 0.480 176.044 175.510 0.090 0.000 1.211 139 N CA 0.155 53.042 53.050 -0.271 0.000 1.158 139 N CB 0.670 38.930 38.487 -0.378 0.000 1.455 139 N HN 0.130 nan 8.380 nan 0.000 0.524 140 A N -0.212 122.705 122.820 0.162 0.000 2.571 140 A HA 0.430 4.750 4.320 0.001 0.000 0.274 140 A C 1.101 178.758 177.584 0.122 0.000 1.196 140 A CA -0.320 51.799 52.037 0.136 0.000 0.957 140 A CB 0.087 19.147 19.000 0.101 0.000 1.150 140 A HN 0.412 nan 8.150 nan 0.000 0.539 141 G N -0.255 108.651 108.800 0.176 0.000 2.562 141 G HA2 0.537 4.498 3.960 0.001 0.000 0.275 141 G HA3 0.537 4.498 3.960 0.001 0.000 0.275 141 G C -0.457 174.372 174.900 -0.118 0.000 1.196 141 G CA -0.391 44.667 45.100 -0.070 0.000 0.908 141 G HN 0.239 nan 8.290 nan 0.000 0.524 142 I N -0.110 120.301 120.570 -0.265 0.000 2.466 142 I HA 0.305 4.476 4.170 0.001 0.000 0.289 142 I C -0.309 175.629 176.117 -0.299 0.000 1.026 142 I CA -0.454 60.758 61.300 -0.146 0.000 1.078 142 I CB 2.188 40.150 38.000 -0.064 0.000 1.249 142 I HN 0.495 nan 8.210 nan 0.000 0.429 143 F N 2.800 122.708 119.950 -0.070 0.000 2.500 143 F HA 0.358 4.885 4.527 0.000 0.000 0.285 143 F C 1.777 177.550 175.800 -0.045 0.000 1.088 143 F CA 0.713 58.669 58.000 -0.074 0.000 1.432 143 F CB -0.121 38.829 39.000 -0.083 0.000 1.131 143 F HN 0.664 nan 8.300 nan 0.000 0.582 144 G N 1.156 110.055 108.800 0.166 0.000 2.575 144 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 144 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 144 G C -0.469 174.482 174.900 0.085 0.000 1.264 144 G CA -0.110 45.044 45.100 0.091 0.000 0.935 144 G HN 0.402 nan 8.290 nan 0.000 0.568 145 N N 0.702 119.432 118.700 0.050 0.000 2.492 145 N HA 0.554 5.295 4.740 0.001 0.000 0.289 145 N C 0.632 176.163 175.510 0.035 0.000 1.133 145 N CA 0.394 53.466 53.050 0.036 0.000 0.961 145 N CB 1.400 39.901 38.487 0.022 0.000 1.186 145 N HN 1.920 nan 8.380 nan 0.000 0.493 146 G N 0.049 108.867 108.800 0.029 0.000 2.645 146 G HA2 -0.285 3.676 3.960 0.001 0.000 0.239 146 G HA3 -0.285 3.676 3.960 0.001 0.000 0.239 146 G C 0.389 175.309 174.900 0.034 0.000 1.331 146 G CA 0.104 45.219 45.100 0.025 0.000 0.890 146 G HN 0.725 nan 8.290 nan 0.000 0.572 147 S N -1.224 114.488 115.700 0.019 0.000 2.559 147 S HA 0.240 4.711 4.470 0.001 0.000 0.226 147 S C 1.174 175.771 174.600 -0.006 0.000 1.000 147 S CA 1.098 59.303 58.200 0.008 0.000 0.948 147 S CB 0.634 63.822 63.200 -0.020 0.000 0.870 147 S HN 0.509 nan 8.310 nan 0.000 0.497 148 D N 3.004 123.402 120.400 -0.003 0.000 2.219 148 D HA 0.011 4.652 4.640 0.001 0.000 0.205 148 D C 0.857 177.140 176.300 -0.029 0.000 0.970 148 D CA 0.838 54.829 54.000 -0.016 0.000 0.851 148 D CB -0.197 40.596 40.800 -0.011 0.000 0.943 148 D HN 0.456 nan 8.370 nan 0.000 0.488 149 N N -0.188 118.496 118.700 -0.026 0.000 2.275 149 N HA 0.048 4.789 4.740 0.001 0.000 0.236 149 N C -0.465 174.975 175.510 -0.117 0.000 1.154 149 N CA 0.136 53.142 53.050 -0.073 0.000 0.866 149 N CB 1.227 39.667 38.487 -0.077 0.000 1.093 149 N HN -0.036 nan 8.380 nan 0.000 0.515 150 T N 1.135 115.662 114.554 -0.046 0.000 2.855 150 T HA 0.296 4.647 4.350 0.001 0.000 0.281 150 T C -0.061 174.605 174.700 -0.057 0.000 1.007 150 T CA -0.535 61.558 62.100 -0.012 0.000 1.009 150 T CB 2.204 71.141 68.868 0.115 0.000 0.983 150 T HN -0.029 nan 8.240 nan 0.000 0.455 151 L N 5.319 126.508 121.223 -0.057 0.000 2.455 151 L HA 0.315 4.656 4.340 0.001 0.000 0.272 151 L C -2.231 174.602 176.870 -0.061 0.000 1.174 151 L CA -1.297 53.513 54.840 -0.051 0.000 0.869 151 L CB -0.043 41.996 42.059 -0.033 0.000 1.130 151 L HN 0.385 nan 8.230 nan 0.000 0.474 152 P HA -0.008 nan 4.420 nan 0.000 0.266 152 P C 0.072 177.336 177.300 -0.060 0.000 1.193 152 P CA 0.379 63.396 63.100 -0.137 0.000 0.770 152 P CB 0.343 32.002 31.700 -0.069 0.000 0.836 153 H N 0.384 119.460 119.070 0.012 0.000 2.387 153 H HA -0.160 4.397 4.556 0.001 0.000 0.299 153 H C 2.150 177.481 175.328 0.004 0.000 1.090 153 H CA 1.643 57.696 56.048 0.007 0.000 1.332 153 H CB -0.117 29.649 29.762 0.007 0.000 1.386 153 H HN 0.485 nan 8.280 nan 0.000 0.516 154 S N 0.975 116.739 115.700 0.108 0.000 2.359 154 S HA -0.238 4.233 4.470 0.001 0.000 0.224 154 S C 2.451 177.075 174.600 0.039 0.000 1.035 154 S CA 0.957 59.192 58.200 0.058 0.000 1.018 154 S CB -0.607 62.617 63.200 0.040 0.000 0.876 154 S HN 0.485 nan 8.310 nan 0.000 0.448 155 A N 1.601 124.440 122.820 0.032 0.000 1.930 155 A HA 0.001 4.322 4.320 0.001 0.000 0.217 155 A C 2.416 180.016 177.584 0.027 0.000 1.175 155 A CA 1.943 53.993 52.037 0.022 0.000 0.627 155 A CB -1.580 17.426 19.000 0.010 0.000 0.815 155 A HN 0.579 nan 8.150 nan 0.000 0.443 156 T N -0.248 114.332 114.554 0.044 0.000 2.746 156 T HA -0.144 4.207 4.350 0.001 0.000 0.267 156 T C 2.065 176.786 174.700 0.036 0.000 1.039 156 T CA 1.627 63.755 62.100 0.048 0.000 1.142 156 T CB -0.228 68.687 68.868 0.078 0.000 0.866 156 T HN 0.530 nan 8.240 nan 0.000 0.444 157 R N 0.957 121.479 120.500 0.037 0.000 2.081 157 R HA 0.017 4.358 4.340 0.001 0.000 0.235 157 R C 2.847 179.150 176.300 0.006 0.000 1.131 157 R CA 1.261 57.373 56.100 0.021 0.000 0.960 157 R CB -0.527 29.782 30.300 0.016 0.000 0.856 157 R HN 0.362 nan 8.270 nan 0.000 0.436 158 A N 1.385 124.208 122.820 0.005 0.000 1.892 158 A HA -0.203 4.118 4.320 0.001 0.000 0.218 158 A C 2.404 179.988 177.584 -0.000 0.000 1.188 158 A CA 1.934 53.969 52.037 -0.003 0.000 0.631 158 A CB -0.847 18.154 19.000 0.002 0.000 0.822 158 A HN 0.423 nan 8.150 nan 0.000 0.447 159 A N -0.716 122.109 122.820 0.008 0.000 1.908 159 A HA -0.162 4.159 4.320 0.001 0.000 0.218 159 A C 2.271 179.858 177.584 0.006 0.000 1.181 159 A CA 2.005 54.047 52.037 0.008 0.000 0.627 159 A CB -0.580 18.429 19.000 0.015 0.000 0.818 159 A HN 0.552 nan 8.150 nan 0.000 0.445 160 M N -1.388 118.218 119.600 0.011 0.000 2.080 160 M HA -0.145 4.336 4.480 0.001 0.000 0.260 160 M C 2.198 178.494 176.300 -0.006 0.000 1.068 160 M CA 1.680 56.988 55.300 0.012 0.000 1.109 160 M CB -0.443 32.175 32.600 0.030 0.000 1.342 160 M HN 0.456 nan 8.290 nan 0.000 0.405 161 L N -0.103 121.113 121.223 -0.012 0.000 2.017 161 L HA -0.124 4.217 4.340 0.001 0.000 0.208 161 L C 2.234 179.088 176.870 -0.027 0.000 1.073 161 L CA 1.513 56.337 54.840 -0.026 0.000 0.745 161 L CB -0.414 41.626 42.059 -0.032 0.000 0.894 161 L HN 0.029 nan 8.230 nan 0.000 0.432 162 V N -0.230 119.673 119.914 -0.018 0.000 2.343 162 V HA -0.273 3.848 4.120 0.001 0.000 0.247 162 V C 2.753 178.836 176.094 -0.019 0.000 1.051 162 V CA 1.867 64.157 62.300 -0.017 0.000 1.036 162 V CB -0.774 31.044 31.823 -0.009 0.000 0.654 162 V HN 0.503 nan 8.190 nan 0.000 0.451 163 R N 0.657 121.146 120.500 -0.018 0.000 2.091 163 R HA -0.127 4.214 4.340 0.001 0.000 0.238 163 R C 1.968 178.246 176.300 -0.038 0.000 1.136 163 R CA 1.874 57.961 56.100 -0.021 0.000 0.959 163 R CB -0.709 29.582 30.300 -0.015 0.000 0.856 163 R HN 0.521 nan 8.270 nan 0.000 0.437 164 I N 0.594 121.134 120.570 -0.049 0.000 2.179 164 I HA -0.274 3.897 4.170 0.001 0.000 0.242 164 I C 2.462 178.537 176.117 -0.069 0.000 1.088 164 I CA 1.670 62.922 61.300 -0.080 0.000 1.357 164 I CB -0.584 37.359 38.000 -0.096 0.000 1.051 164 I HN 0.399 nan 8.210 nan 0.000 0.409 165 N N 0.767 119.438 118.700 -0.048 0.000 2.149 165 N HA -0.188 4.552 4.740 0.001 0.000 0.188 165 N C 1.615 177.112 175.510 -0.022 0.000 1.019 165 N CA 2.099 55.129 53.050 -0.034 0.000 0.857 165 N CB 0.057 38.529 38.487 -0.025 0.000 0.997 165 N HN 0.423 nan 8.380 nan 0.000 0.426 166 T N -1.678 112.863 114.554 -0.021 0.000 3.194 166 T HA 0.164 4.515 4.350 0.001 0.000 0.251 166 T C 1.622 176.320 174.700 -0.003 0.000 1.132 166 T CA 0.103 62.196 62.100 -0.012 0.000 1.028 166 T CB 0.041 68.901 68.868 -0.014 0.000 0.976 166 T HN 0.152 nan 8.240 nan 0.000 0.535 167 L N -0.567 120.647 121.223 -0.015 0.000 2.731 167 L HA 0.449 4.790 4.340 0.001 0.000 0.240 167 L C 1.857 178.725 176.870 -0.003 0.000 1.120 167 L CA 0.001 54.834 54.840 -0.011 0.000 0.913 167 L CB 0.058 42.092 42.059 -0.041 0.000 1.213 167 L HN 0.217 nan 8.230 nan 0.000 0.515 168 L N -0.409 120.812 121.223 -0.003 0.000 2.478 168 L HA -0.046 4.295 4.340 0.001 0.000 0.223 168 L C 2.140 179.040 176.870 0.050 0.000 1.140 168 L CA 0.683 55.536 54.840 0.023 0.000 0.842 168 L CB -0.123 41.946 42.059 0.015 0.000 0.953 168 L HN 0.346 nan 8.230 nan 0.000 0.452 169 Q N -0.069 119.767 119.800 0.060 0.000 2.436 169 Q HA -0.022 4.319 4.340 0.001 0.000 0.209 169 Q C 1.517 177.517 176.000 -0.001 0.000 0.965 169 Q CA 0.745 56.602 55.803 0.089 0.000 0.910 169 Q CB 0.186 29.034 28.738 0.183 0.000 0.980 169 Q HN 0.610 nan 8.270 nan 0.000 0.491 170 G N -0.104 108.671 108.800 -0.042 0.000 2.176 170 G HA2 -0.278 3.683 3.960 0.001 0.000 0.232 170 G HA3 -0.278 3.683 3.960 0.001 0.000 0.232 170 G C 0.243 174.955 174.900 -0.314 0.000 0.986 170 G CA 0.000 44.990 45.100 -0.184 0.000 0.643 170 G HN 0.410 nan 8.290 nan 0.000 0.522 171 Y N 0.942 121.214 120.300 -0.047 0.000 2.468 171 Y HA 0.413 4.964 4.550 0.001 0.000 0.268 171 Y C 2.290 178.148 175.900 -0.070 0.000 1.177 171 Y CA 0.955 59.007 58.100 -0.081 0.000 1.265 171 Y CB 0.863 39.268 38.460 -0.091 0.000 1.103 171 Y HN 0.281 nan 8.280 nan 0.000 0.522 172 S N -1.144 114.594 115.700 0.065 0.000 2.511 172 S HA 0.214 4.685 4.470 0.001 0.000 0.214 172 S C 1.585 176.211 174.600 0.043 0.000 0.997 172 S CA 0.533 58.763 58.200 0.049 0.000 0.908 172 S CB 0.273 63.497 63.200 0.039 0.000 0.803 172 S HN 0.579 nan 8.310 nan 0.000 0.504 173 G N 1.999 110.825 108.800 0.043 0.000 2.272 173 G HA2 -0.254 3.707 3.960 0.001 0.000 0.280 173 G HA3 -0.254 3.707 3.960 0.001 0.000 0.280 173 G C -0.195 174.747 174.900 0.070 0.000 1.067 173 G CA 0.373 45.519 45.100 0.077 0.000 0.902 173 G HN 0.539 nan 8.290 nan 0.000 0.500 174 I N -0.949 119.649 120.570 0.047 0.000 2.689 174 I HA 0.623 4.793 4.170 0.001 0.000 0.299 174 I C 0.578 176.718 176.117 0.039 0.000 1.059 174 I CA -1.663 59.652 61.300 0.026 0.000 1.055 174 I CB 1.115 39.107 38.000 -0.014 0.000 1.243 174 I HN 0.140 nan 8.210 nan 0.000 0.425 175 R N 4.500 125.020 120.500 0.033 0.000 2.537 175 R HA 0.077 4.418 4.340 0.001 0.000 0.280 175 R C 0.446 176.792 176.300 0.077 0.000 1.058 175 R CA 0.102 56.249 56.100 0.077 0.000 1.057 175 R CB 0.470 30.824 30.300 0.090 0.000 0.973 175 R HN 0.617 nan 8.270 nan 0.000 0.438 176 F N 2.342 122.286 119.950 -0.009 0.000 2.202 176 F HA -0.222 4.306 4.527 0.001 0.000 0.301 176 F C 1.590 177.382 175.800 -0.014 0.000 1.082 176 F CA 1.775 59.766 58.000 -0.016 0.000 1.313 176 F CB 0.240 39.237 39.000 -0.006 0.000 1.024 176 F HN 0.618 nan 8.300 nan 0.000 0.495 177 E N 0.347 120.666 120.200 0.197 0.000 2.153 177 E HA -0.199 4.152 4.350 0.001 0.000 0.194 177 E C 2.218 178.838 176.600 0.033 0.000 0.988 177 E CA 1.498 58.008 56.400 0.183 0.000 0.811 177 E CB -0.352 29.530 29.700 0.304 0.000 0.746 177 E HN 0.485 nan 8.360 nan 0.000 0.466 178 I N 0.220 120.652 120.570 -0.230 0.000 2.252 178 I HA -0.242 3.929 4.170 0.001 0.000 0.245 178 I C 1.950 177.880 176.117 -0.311 0.000 1.102 178 I CA 0.831 61.808 61.300 -0.539 0.000 1.385 178 I CB -0.230 37.405 38.000 -0.608 0.000 1.064 178 I HN 0.117 nan 8.210 nan 0.000 0.414 179 L N 0.244 121.286 121.223 -0.300 0.000 2.083 179 L HA -0.201 4.140 4.340 0.001 0.000 0.209 179 L C 2.405 179.090 176.870 -0.310 0.000 1.083 179 L CA 1.484 56.123 54.840 -0.336 0.000 0.752 179 L CB -0.756 40.996 42.059 -0.511 0.000 0.899 179 L HN 0.268 nan 8.230 nan 0.000 0.433 180 E N 0.426 120.455 120.200 -0.286 0.000 2.110 180 E HA -0.200 4.151 4.350 0.001 0.000 0.193 180 E C 2.346 178.842 176.600 -0.173 0.000 0.988 180 E CA 1.130 57.427 56.400 -0.172 0.000 0.804 180 E CB -0.134 29.546 29.700 -0.033 0.000 0.745 180 E HN 0.505 nan 8.360 nan 0.000 0.458 181 A N 1.146 123.866 122.820 -0.167 0.000 1.898 181 A HA -0.160 4.161 4.320 0.001 0.000 0.216 181 A C 2.155 179.458 177.584 -0.468 0.000 1.181 181 A CA 1.041 52.887 52.037 -0.319 0.000 0.620 181 A CB -0.545 18.389 19.000 -0.110 0.000 0.819 181 A HN 0.140 nan 8.150 nan 0.000 0.442 182 I N -0.341 120.108 120.570 -0.202 0.000 2.361 182 I HA -0.209 3.962 4.170 0.001 0.000 0.251 182 I C 2.479 178.565 176.117 -0.051 0.000 1.133 182 I CA 1.573 62.868 61.300 -0.008 0.000 1.413 182 I CB -0.663 37.347 38.000 0.018 0.000 1.073 182 I HN 0.238 nan 8.210 nan 0.000 0.424 183 T N 0.961 115.439 114.554 -0.127 0.000 2.720 183 T HA -0.168 4.183 4.350 0.001 0.000 0.268 183 T C 1.925 176.558 174.700 -0.111 0.000 1.037 183 T CA 1.184 63.220 62.100 -0.106 0.000 1.144 183 T CB -0.128 68.668 68.868 -0.120 0.000 0.864 183 T HN 0.289 nan 8.240 nan 0.000 0.444 184 K N 0.462 120.739 120.400 -0.205 0.000 2.057 184 K HA -0.055 4.266 4.320 0.001 0.000 0.207 184 K C 2.012 178.523 176.600 -0.148 0.000 1.049 184 K CA 1.128 57.280 56.287 -0.224 0.000 0.931 184 K CB -0.511 31.772 32.500 -0.362 0.000 0.714 184 K HN 0.329 nan 8.250 nan 0.000 0.440 185 F N 1.620 121.519 119.950 -0.085 0.000 2.126 185 F HA -0.148 4.380 4.527 0.001 0.000 0.299 185 F C 2.332 178.100 175.800 -0.054 0.000 1.096 185 F CA 0.910 58.868 58.000 -0.070 0.000 1.255 185 F CB -0.958 38.002 39.000 -0.065 0.000 0.997 185 F HN -0.074 nan 8.300 nan 0.000 0.479 186 L N -0.418 120.876 121.223 0.119 0.000 2.017 186 L HA -0.241 4.099 4.340 0.001 0.000 0.208 186 L C 2.267 179.146 176.870 0.015 0.000 1.073 186 L CA 1.303 56.170 54.840 0.046 0.000 0.745 186 L CB -0.684 41.381 42.059 0.010 0.000 0.894 186 L HN 0.097 nan 8.230 nan 0.000 0.432 187 N N -0.290 118.407 118.700 -0.005 0.000 2.244 187 N HA -0.169 4.572 4.740 0.001 0.000 0.183 187 N C 1.660 177.166 175.510 -0.006 0.000 1.016 187 N CA 1.007 54.046 53.050 -0.017 0.000 0.866 187 N CB -0.108 38.359 38.487 -0.033 0.000 0.980 187 N HN 0.286 nan 8.380 nan 0.000 0.430 188 Q N 0.348 120.154 119.800 0.010 0.000 2.319 188 Q HA 0.141 4.482 4.340 0.001 0.000 0.202 188 Q C -0.459 175.559 176.000 0.030 0.000 0.896 188 Q CA -0.154 55.660 55.803 0.020 0.000 0.942 188 Q CB -0.228 28.526 28.738 0.026 0.000 1.083 188 Q HN 0.168 nan 8.270 nan 0.000 0.510 189 N N 0.671 119.389 118.700 0.030 0.000 2.714 189 N HA -0.164 4.576 4.740 0.001 0.000 0.253 189 N C -1.492 174.022 175.510 0.007 0.000 1.024 189 N CA 0.323 53.381 53.050 0.013 0.000 0.726 189 N CB -0.765 37.721 38.487 -0.002 0.000 0.908 189 N HN 0.111 nan 8.380 nan 0.000 0.542 190 I N 1.077 121.674 120.570 0.046 0.000 2.355 190 I HA 0.297 4.468 4.170 0.001 0.000 0.288 190 I C 0.278 176.354 176.117 -0.068 0.000 0.999 190 I CA -0.275 61.035 61.300 0.017 0.000 1.163 190 I CB 1.264 39.349 38.000 0.142 0.000 1.316 190 I HN 0.061 nan 8.210 nan 0.000 0.454 191 T N 7.933 122.402 114.554 -0.141 0.000 2.815 191 T HA 0.388 4.739 4.350 0.001 0.000 0.289 191 T C -2.513 172.091 174.700 -0.160 0.000 1.000 191 T CA -1.349 60.665 62.100 -0.144 0.000 0.958 191 T CB 1.902 70.688 68.868 -0.137 0.000 0.944 191 T HN 0.313 nan 8.240 nan 0.000 0.442 192 P HA 0.170 nan 4.420 nan 0.000 0.269 192 P C -0.492 176.808 177.300 -0.000 0.000 1.209 192 P CA -0.455 62.581 63.100 -0.107 0.000 0.776 192 P CB 0.410 32.055 31.700 -0.093 0.000 0.876 193 C N 3.608 122.917 119.300 0.014 0.000 2.394 193 C HA 0.437 4.898 4.460 0.001 0.000 0.362 193 C C 0.493 175.611 174.990 0.215 0.000 1.268 193 C CA -0.048 59.023 59.018 0.088 0.000 1.828 193 C CB -1.266 26.422 27.740 -0.087 0.000 2.442 193 C HN 0.422 nan 8.230 nan 0.000 0.549 194 L N 7.054 128.415 121.223 0.231 0.000 2.342 194 L HA 0.632 4.973 4.340 0.001 0.000 0.271 194 L C -1.976 174.808 176.870 -0.145 0.000 1.008 194 L CA -1.774 53.105 54.840 0.065 0.000 0.818 194 L CB 1.472 43.552 42.059 0.035 0.000 1.296 194 L HN 0.413 nan 8.230 nan 0.000 0.427 195 P HA 0.038 nan 4.420 nan 0.000 0.275 195 P C 0.572 177.645 177.300 -0.379 0.000 1.228 195 P CA -0.400 62.172 63.100 -0.881 0.000 0.786 195 P CB 1.197 32.298 31.700 -0.998 0.000 0.927 196 L N 3.022 124.068 121.223 -0.294 0.000 2.056 196 L HA -0.009 4.332 4.340 0.001 0.000 0.207 196 L C 1.216 178.004 176.870 -0.136 0.000 1.078 196 L CA 1.790 56.533 54.840 -0.162 0.000 0.749 196 L CB -0.349 41.636 42.059 -0.124 0.000 0.901 196 L HN 0.364 nan 8.230 nan 0.000 0.433 197 R N -2.314 118.089 120.500 -0.161 0.000 2.902 197 R HA 0.605 4.946 4.340 0.001 0.000 0.258 197 R C 0.277 176.508 176.300 -0.116 0.000 1.071 197 R CA -0.114 55.918 56.100 -0.113 0.000 1.024 197 R CB 1.248 31.493 30.300 -0.092 0.000 1.184 197 R HN 0.096 nan 8.270 nan 0.000 0.492 198 G N -0.060 108.698 108.800 -0.071 0.000 2.273 198 G HA2 -0.193 3.768 3.960 0.001 0.000 0.162 198 G HA3 -0.193 3.768 3.960 0.001 0.000 0.162 198 G C -0.173 174.711 174.900 -0.027 0.000 1.006 198 G CA 0.017 45.087 45.100 -0.048 0.000 0.704 198 G HN 0.605 nan 8.290 nan 0.000 0.487 199 T N 0.532 115.069 114.554 -0.028 0.000 2.841 199 T HA 0.609 4.960 4.350 0.001 0.000 0.283 199 T C 1.223 175.917 174.700 -0.009 0.000 1.000 199 T CA -0.243 61.847 62.100 -0.017 0.000 0.977 199 T CB 1.061 69.920 68.868 -0.015 0.000 0.979 199 T HN 0.846 nan 8.240 nan 0.000 0.446 200 I N 1.231 121.799 120.570 -0.003 0.000 3.941 200 I HA 0.333 4.504 4.170 0.001 0.000 0.335 200 I C 0.424 176.553 176.117 0.019 0.000 1.402 200 I CA -0.551 60.755 61.300 0.009 0.000 1.112 200 I CB -0.829 37.179 38.000 0.013 0.000 1.043 200 I HN 0.623 nan 8.210 nan 0.000 0.395 206 L N -0.368 120.824 121.223 -0.051 0.000 1.989 206 L HA -0.162 4.178 4.340 0.001 0.000 0.211 206 L C 2.409 179.238 176.870 -0.068 0.000 1.071 206 L CA 1.346 56.133 54.840 -0.088 0.000 0.749 206 L CB -0.359 41.623 42.059 -0.129 0.000 0.890 206 L HN 0.103 nan 8.230 nan 0.000 0.431 207 V N 0.198 120.095 119.914 -0.029 0.000 2.237 207 V HA -0.166 3.955 4.120 0.001 0.000 0.245 207 V C -0.179 176.005 176.094 0.149 0.000 1.046 207 V CA 2.267 64.588 62.300 0.034 0.000 1.007 207 V CB -1.795 30.056 31.823 0.047 0.000 0.638 207 V HN 0.361 nan 8.190 nan 0.000 0.445 208 P HA -0.138 nan 4.420 nan 0.000 0.216 208 P C 1.950 179.352 177.300 0.169 0.000 1.153 208 P CA 1.526 64.713 63.100 0.147 0.000 0.848 208 P CB -0.077 31.639 31.700 0.027 0.000 0.787 209 L N 0.439 121.704 121.223 0.070 0.000 2.191 209 L HA -0.129 4.212 4.340 0.001 0.000 0.212 209 L C 2.749 179.627 176.870 0.014 0.000 1.103 209 L CA 1.882 56.743 54.840 0.036 0.000 0.769 209 L CB -1.108 40.950 42.059 -0.002 0.000 0.908 209 L HN 0.120 nan 8.230 nan 0.000 0.438 210 S N -1.190 114.490 115.700 -0.033 0.000 2.469 210 S HA -0.187 4.284 4.470 0.001 0.000 0.238 210 S C 1.722 176.188 174.600 -0.223 0.000 0.998 210 S CA 0.752 58.852 58.200 -0.167 0.000 0.957 210 S CB -0.546 62.478 63.200 -0.294 0.000 0.764 210 S HN 0.457 nan 8.310 nan 0.000 0.514 211 Y N 1.168 121.465 120.300 -0.006 0.000 2.475 211 Y HA 0.326 4.876 4.550 0.001 0.000 0.289 211 Y C 2.102 178.003 175.900 0.002 0.000 1.121 211 Y CA 0.223 58.338 58.100 0.024 0.000 1.257 211 Y CB -0.305 38.215 38.460 0.101 0.000 1.026 211 Y HN 0.261 nan 8.280 nan 0.000 0.555 212 I N -0.525 120.112 120.570 0.111 0.000 2.202 212 I HA -0.280 3.891 4.170 0.001 0.000 0.242 212 I C 2.598 178.740 176.117 0.041 0.000 1.091 212 I CA 1.139 62.471 61.300 0.053 0.000 1.368 212 I CB -0.619 37.407 38.000 0.044 0.000 1.058 212 I HN 0.166 nan 8.210 nan 0.000 0.410 213 A N 1.106 123.929 122.820 0.006 0.000 1.908 213 A HA -0.163 4.158 4.320 0.001 0.000 0.218 213 A C 2.417 179.998 177.584 -0.006 0.000 1.181 213 A CA 2.050 54.084 52.037 -0.005 0.000 0.627 213 A CB -1.464 17.504 19.000 -0.052 0.000 0.818 213 A HN 0.484 nan 8.150 nan 0.000 0.445 214 G N -0.530 108.232 108.800 -0.064 0.000 2.422 214 G HA2 -0.069 3.891 3.960 0.001 0.000 0.218 214 G HA3 -0.069 3.891 3.960 0.001 0.000 0.218 214 G C 1.447 176.313 174.900 -0.057 0.000 1.140 214 G CA 1.110 46.153 45.100 -0.095 0.000 0.775 214 G HN 0.487 nan 8.290 nan 0.000 0.545 215 L N 0.478 121.708 121.223 0.013 0.000 2.027 215 L HA 0.140 4.481 4.340 0.001 0.000 0.206 215 L C 2.632 179.679 176.870 0.294 0.000 1.074 215 L CA 1.381 56.262 54.840 0.069 0.000 0.745 215 L CB -0.550 41.493 42.059 -0.026 0.000 0.898 215 L HN 0.184 nan 8.230 nan 0.000 0.433 216 L N -0.620 120.819 121.223 0.361 0.000 2.187 216 L HA -0.184 4.157 4.340 0.001 0.000 0.213 216 L C 1.993 179.199 176.870 0.560 0.000 1.100 216 L CA 1.749 56.973 54.840 0.640 0.000 0.765 216 L CB -0.891 41.407 42.059 0.398 0.000 0.904 216 L HN 0.565 nan 8.230 nan 0.000 0.437 217 T N -4.419 110.235 114.554 0.167 0.000 3.069 217 T HA 0.291 4.642 4.350 0.001 0.000 0.252 217 T C 1.269 175.700 174.700 -0.448 0.000 1.053 217 T CA 0.246 62.352 62.100 0.010 0.000 0.964 217 T CB 0.553 69.433 68.868 0.020 0.000 1.005 217 T HN 0.372 nan 8.240 nan 0.000 0.532 218 G N 2.458 110.740 108.800 -0.864 0.000 2.273 218 G HA2 -0.288 3.673 3.960 0.001 0.000 0.280 218 G HA3 -0.288 3.673 3.960 0.001 0.000 0.280 218 G C 0.071 174.552 174.900 -0.699 0.000 1.047 218 G CA -0.236 43.920 45.100 -1.573 0.000 0.869 218 G HN 0.678 nan 8.290 nan 0.000 0.502 219 R N -0.048 120.230 120.500 -0.370 0.000 2.697 219 R HA 0.099 4.440 4.340 0.001 0.000 0.265 219 R C -0.524 175.675 176.300 -0.169 0.000 1.009 219 R CA -0.369 55.604 56.100 -0.211 0.000 1.099 219 R CB 0.660 30.870 30.300 -0.150 0.000 0.965 219 R HN 0.182 nan 8.270 nan 0.000 0.428 220 P HA -0.143 nan 4.420 nan 0.000 0.223 220 P C 0.208 177.478 177.300 -0.049 0.000 1.151 220 P CA 1.318 64.377 63.100 -0.069 0.000 0.787 220 P CB 0.107 31.782 31.700 -0.041 0.000 0.788 221 N N -1.051 117.626 118.700 -0.039 0.000 2.299 221 N HA -0.015 4.726 4.740 0.001 0.000 0.187 221 N C 0.505 176.004 175.510 -0.019 0.000 1.099 221 N CA 0.031 53.072 53.050 -0.015 0.000 0.867 221 N CB -0.471 38.036 38.487 0.032 0.000 0.974 221 N HN -0.083 nan 8.380 nan 0.000 0.477 222 S N 0.847 116.527 115.700 -0.034 0.000 2.549 222 S HA 0.165 4.636 4.470 0.001 0.000 0.286 222 S C -0.329 174.239 174.600 -0.053 0.000 1.314 222 S CA -0.084 58.104 58.200 -0.020 0.000 1.062 222 S CB 0.325 63.494 63.200 -0.053 0.000 0.865 222 S HN 0.135 nan 8.310 nan 0.000 0.498 223 K N 1.838 122.194 120.400 -0.074 0.000 2.435 223 K HA 0.773 5.094 4.320 0.001 0.000 0.251 223 K C -0.680 175.865 176.600 -0.092 0.000 0.954 223 K CA -0.692 55.536 56.287 -0.097 0.000 0.820 223 K CB 1.929 34.332 32.500 -0.162 0.000 1.292 223 K HN 0.644 nan 8.250 nan 0.000 0.436 224 A N 0.670 123.438 122.820 -0.086 0.000 2.485 224 A HA 0.759 5.080 4.320 0.001 0.000 0.292 224 A C -1.310 176.210 177.584 -0.107 0.000 1.147 224 A CA -0.763 51.207 52.037 -0.111 0.000 0.750 224 A CB 1.875 20.789 19.000 -0.143 0.000 1.331 224 A HN 0.355 nan 8.150 nan 0.000 0.419 225 V N 0.425 120.245 119.914 -0.156 0.000 2.604 225 V HA 0.731 4.851 4.120 0.001 0.000 0.305 225 V C 0.655 176.651 176.094 -0.163 0.000 1.043 225 V CA 0.371 62.563 62.300 -0.181 0.000 0.888 225 V CB 1.477 33.095 31.823 -0.342 0.000 0.995 225 V HN 1.462 nan 8.190 nan 0.000 0.429 226 G N 5.517 114.258 108.800 -0.098 0.000 2.563 226 G HA2 0.435 4.396 3.960 0.001 0.000 0.283 226 G HA3 0.435 4.396 3.960 0.001 0.000 0.283 226 G C -1.856 173.001 174.900 -0.072 0.000 1.309 226 G CA -0.769 44.294 45.100 -0.062 0.000 1.022 226 G HN 0.615 nan 8.290 nan 0.000 0.501 227 P HA -0.059 nan 4.420 nan 0.000 0.219 227 P C 1.692 178.984 177.300 -0.014 0.000 1.146 227 P CA 1.929 65.013 63.100 -0.026 0.000 0.808 227 P CB 0.121 31.816 31.700 -0.008 0.000 0.779 228 T N -6.024 108.524 114.554 -0.010 0.000 3.145 228 T HA 0.460 4.811 4.350 0.001 0.000 0.255 228 T C 1.323 176.027 174.700 0.006 0.000 1.039 228 T CA 0.251 62.354 62.100 0.004 0.000 0.928 228 T CB -0.529 68.343 68.868 0.007 0.000 1.029 228 T HN 0.222 nan 8.240 nan 0.000 0.554 229 G N 0.745 109.536 108.800 -0.014 0.000 2.157 229 G HA2 -0.218 3.742 3.960 0.001 0.000 0.239 229 G HA3 -0.218 3.742 3.960 0.001 0.000 0.239 229 G C -0.007 174.888 174.900 -0.009 0.000 0.982 229 G CA -0.205 44.894 45.100 -0.001 0.000 0.650 229 G HN 0.666 nan 8.290 nan 0.000 0.527 230 V N 2.830 122.734 119.914 -0.017 0.000 2.572 230 V HA 0.293 4.414 4.120 0.001 0.000 0.291 230 V C 1.169 177.248 176.094 -0.025 0.000 1.039 230 V CA -0.577 61.716 62.300 -0.013 0.000 1.055 230 V CB 1.038 32.857 31.823 -0.006 0.000 0.969 230 V HN 0.255 nan 8.190 nan 0.000 0.482 231 I N 6.354 126.911 120.570 -0.021 0.000 2.496 231 I HA 0.277 4.448 4.170 0.001 0.000 0.285 231 I C 0.119 176.223 176.117 -0.022 0.000 1.080 231 I CA 0.156 61.438 61.300 -0.031 0.000 1.404 231 I CB 0.398 38.378 38.000 -0.034 0.000 1.403 231 I HN 0.408 nan 8.210 nan 0.000 0.539 232 L N 5.377 126.585 121.223 -0.024 0.000 2.346 232 L HA 0.440 4.781 4.340 0.001 0.000 0.274 232 L C 0.596 177.469 176.870 0.006 0.000 1.007 232 L CA -0.721 54.120 54.840 0.002 0.000 0.818 232 L CB 2.019 44.086 42.059 0.014 0.000 1.284 232 L HN 0.682 nan 8.230 nan 0.000 0.424 233 S N 1.181 116.899 115.700 0.030 0.000 2.600 233 S HA 0.296 4.767 4.470 0.001 0.000 0.265 233 S C -2.013 172.647 174.600 0.100 0.000 1.325 233 S CA -0.973 57.253 58.200 0.045 0.000 1.002 233 S CB 0.999 64.232 63.200 0.054 0.000 0.921 233 S HN 0.420 nan 8.310 nan 0.000 0.554 234 P HA -0.065 nan 4.420 nan 0.000 0.216 234 P C 1.090 178.646 177.300 0.425 0.000 1.150 234 P CA 1.221 64.461 63.100 0.235 0.000 0.837 234 P CB -0.022 31.675 31.700 -0.004 0.000 0.786 235 E N 0.016 120.423 120.200 0.345 0.000 2.058 235 E HA -0.211 4.140 4.350 0.001 0.000 0.194 235 E C 1.965 178.671 176.600 0.176 0.000 0.997 235 E CA 1.423 57.930 56.400 0.179 0.000 0.801 235 E CB -0.703 29.057 29.700 0.101 0.000 0.746 235 E HN 0.424 nan 8.360 nan 0.000 0.450 236 E N 0.160 120.453 120.200 0.156 0.000 2.106 236 E HA -0.150 4.201 4.350 0.001 0.000 0.192 236 E C 2.067 178.776 176.600 0.182 0.000 0.984 236 E CA 0.856 57.333 56.400 0.129 0.000 0.806 236 E CB -0.162 29.588 29.700 0.083 0.000 0.750 236 E HN 0.281 nan 8.360 nan 0.000 0.458 237 A N 0.920 123.886 122.820 0.244 0.000 1.902 237 A HA -0.173 4.148 4.320 0.001 0.000 0.217 237 A C 1.881 179.747 177.584 0.470 0.000 1.181 237 A CA 1.115 53.329 52.037 0.295 0.000 0.623 237 A CB -0.685 18.451 19.000 0.227 0.000 0.818 237 A HN 0.155 nan 8.150 nan 0.000 0.443 238 F N 0.384 120.513 119.950 0.298 0.000 2.134 238 F HA -0.116 4.413 4.527 0.003 0.000 0.299 238 F C 2.332 178.189 175.800 0.096 0.000 1.097 238 F CA 1.800 59.941 58.000 0.236 0.000 1.264 238 F CB -0.229 38.851 39.000 0.134 0.000 1.001 238 F HN 0.166 nan 8.300 nan 0.000 0.479 239 K N -0.102 120.450 120.400 0.254 0.000 2.057 239 K HA -0.106 4.215 4.320 0.001 0.000 0.206 239 K C 2.059 178.712 176.600 0.087 0.000 1.050 239 K CA 1.215 57.575 56.287 0.122 0.000 0.935 239 K CB -0.472 32.079 32.500 0.084 0.000 0.715 239 K HN 0.256 nan 8.250 nan 0.000 0.439 240 L N 0.393 121.680 121.223 0.106 0.000 2.201 240 L HA -0.117 4.224 4.340 0.001 0.000 0.212 240 L C 2.327 179.235 176.870 0.064 0.000 1.105 240 L CA 0.800 55.686 54.840 0.076 0.000 0.775 240 L CB -0.301 41.805 42.059 0.079 0.000 0.913 240 L HN 0.191 nan 8.230 nan 0.000 0.440 241 A N -0.715 122.154 122.820 0.082 0.000 2.132 241 A HA 0.267 4.587 4.320 0.001 0.000 0.213 241 A C 1.746 179.281 177.584 -0.082 0.000 1.154 241 A CA 0.737 52.782 52.037 0.014 0.000 0.753 241 A CB -0.282 18.731 19.000 0.023 0.000 0.826 241 A HN 0.472 nan 8.150 nan 0.000 0.469 242 G N -0.883 107.883 108.800 -0.057 0.000 2.147 242 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 242 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 242 G C 0.164 174.990 174.900 -0.123 0.000 1.005 242 G CA 0.090 45.148 45.100 -0.070 0.000 0.713 242 G HN 0.798 nan 8.290 nan 0.000 0.515 243 V N 0.546 120.339 119.914 -0.202 0.000 2.557 243 V HA 0.089 4.210 4.120 0.001 0.000 0.301 243 V C 1.129 177.159 176.094 -0.107 0.000 1.026 243 V CA 0.725 62.861 62.300 -0.275 0.000 1.137 243 V CB 0.905 32.362 31.823 -0.611 0.000 0.917 243 V HN 0.477 nan 8.190 nan 0.000 0.484 244 E N 4.248 124.397 120.200 -0.085 0.000 2.110 244 E HA 0.489 4.839 4.350 0.001 0.000 0.300 244 E C 0.599 177.173 176.600 -0.044 0.000 1.278 244 E CA 0.175 56.549 56.400 -0.043 0.000 1.365 244 E CB 0.283 29.969 29.700 -0.023 0.000 1.283 244 E HN 0.940 nan 8.360 nan 0.000 0.490 245 G N 0.027 108.797 108.800 -0.050 0.000 2.352 245 G HA2 0.273 4.234 3.960 0.001 0.000 0.302 245 G HA3 0.273 4.234 3.960 0.001 0.000 0.302 245 G C -0.287 174.573 174.900 -0.065 0.000 1.370 245 G CA -0.627 44.416 45.100 -0.096 0.000 0.918 245 G HN 0.353 nan 8.290 nan 0.000 0.610 246 G N -1.238 107.450 108.800 -0.187 0.000 2.532 246 G HA2 0.630 4.591 3.960 0.001 0.000 0.291 246 G HA3 0.630 4.591 3.960 0.001 0.000 0.291 246 G C -0.200 174.478 174.900 -0.369 0.000 1.349 246 G CA -0.802 44.084 45.100 -0.358 0.000 1.038 246 G HN 0.563 nan 8.290 nan 0.000 0.518 247 F N -0.322 119.395 119.950 -0.389 0.000 2.602 247 F HA 0.271 4.799 4.527 0.002 0.000 0.367 247 F C 0.602 176.308 175.800 -0.157 0.000 1.126 247 F CA -0.380 57.433 58.000 -0.311 0.000 1.321 247 F CB -0.079 38.766 39.000 -0.259 0.000 1.094 247 F HN 0.055 nan 8.300 nan 0.000 0.594 248 F N 1.247 121.401 119.950 0.340 0.000 2.429 248 F HA 0.204 4.731 4.527 0.001 0.000 0.348 248 F C 0.617 176.508 175.800 0.151 0.000 1.109 248 F CA -0.308 57.822 58.000 0.216 0.000 1.232 248 F CB 0.318 39.441 39.000 0.205 0.000 1.157 248 F HN 0.407 nan 8.300 nan 0.000 0.564 249 E N 4.041 124.415 120.200 0.291 0.000 2.081 249 E HA 0.295 4.645 4.350 0.001 0.000 0.276 249 E C -0.790 175.925 176.600 0.192 0.000 0.950 249 E CA -0.479 56.036 56.400 0.192 0.000 0.776 249 E CB 0.976 30.754 29.700 0.130 0.000 1.094 249 E HN 0.435 nan 8.360 nan 0.000 0.402 250 L N 3.109 124.425 121.223 0.155 0.000 2.453 250 L HA 0.054 4.395 4.340 0.001 0.000 0.272 250 L C 0.786 177.717 176.870 0.103 0.000 1.182 250 L CA 0.160 55.072 54.840 0.119 0.000 0.858 250 L CB 0.151 42.260 42.059 0.082 0.000 1.120 250 L HN 0.431 nan 8.230 nan 0.000 0.474 251 Q N 3.447 123.304 119.800 0.096 0.000 2.249 251 Q HA 0.335 4.676 4.340 0.001 0.000 0.226 251 Q C -2.235 173.818 176.000 0.088 0.000 0.983 251 Q CA -1.888 53.968 55.803 0.089 0.000 0.930 251 Q CB 0.546 29.337 28.738 0.088 0.000 1.193 251 Q HN 0.370 nan 8.270 nan 0.000 0.508 252 P HA -0.075 nan 4.420 nan 0.000 0.266 252 P C -0.270 177.097 177.300 0.111 0.000 1.195 252 P CA 0.440 63.602 63.100 0.102 0.000 0.768 252 P CB 0.586 32.344 31.700 0.096 0.000 0.838 253 K N 1.763 122.236 120.400 0.121 0.000 3.483 253 K HA -0.257 4.063 4.320 0.001 0.000 0.288 253 K C 1.178 177.825 176.600 0.079 0.000 0.894 253 K CA 2.267 58.623 56.287 0.113 0.000 1.245 253 K CB -2.155 30.421 32.500 0.127 0.000 1.368 253 K HN 0.559 nan 8.250 nan 0.000 0.477 254 E N -0.895 119.345 120.200 0.067 0.000 2.106 254 E HA -0.056 4.295 4.350 0.001 0.000 0.192 254 E C 1.893 178.504 176.600 0.017 0.000 0.984 254 E CA 1.084 57.504 56.400 0.034 0.000 0.806 254 E CB -0.251 29.465 29.700 0.027 0.000 0.750 254 E HN 0.580 nan 8.360 nan 0.000 0.458 255 G N 1.393 110.213 108.800 0.033 0.000 2.404 255 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 255 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 255 G C 1.602 176.493 174.900 -0.015 0.000 1.174 255 G CA 0.282 45.386 45.100 0.007 0.000 0.780 255 G HN 0.072 nan 8.290 nan 0.000 0.537 256 L N 0.664 121.894 121.223 0.012 0.000 2.046 256 L HA -0.066 4.275 4.340 0.001 0.000 0.208 256 L C 3.425 180.290 176.870 -0.008 0.000 1.077 256 L CA 0.979 55.812 54.840 -0.011 0.000 0.747 256 L CB -0.380 41.699 42.059 0.033 0.000 0.896 256 L HN 0.320 nan 8.230 nan 0.000 0.432 257 A N 0.006 122.832 122.820 0.010 0.000 1.940 257 A HA -0.189 4.131 4.320 0.001 0.000 0.219 257 A C 2.224 179.800 177.584 -0.013 0.000 1.176 257 A CA 1.523 53.564 52.037 0.006 0.000 0.631 257 A CB -0.623 18.382 19.000 0.010 0.000 0.814 257 A HN 0.378 nan 8.150 nan 0.000 0.446 258 L N -0.455 120.753 121.223 -0.027 0.000 2.109 258 L HA -0.102 4.239 4.340 0.001 0.000 0.207 258 L C 2.452 179.300 176.870 -0.037 0.000 1.086 258 L CA 1.392 56.211 54.840 -0.036 0.000 0.760 258 L CB -0.204 41.829 42.059 -0.043 0.000 0.910 258 L HN 0.455 nan 8.230 nan 0.000 0.437 259 V N -5.221 114.660 119.914 -0.054 0.000 3.471 259 V HA 0.077 4.198 4.120 0.001 0.000 0.258 259 V C 1.456 177.511 176.094 -0.065 0.000 1.192 259 V CA 0.655 62.911 62.300 -0.073 0.000 1.116 259 V CB -0.465 31.281 31.823 -0.129 0.000 0.792 259 V HN 0.368 nan 8.190 nan 0.000 0.459 260 N N 1.411 120.083 118.700 -0.046 0.000 2.521 260 N HA 0.128 4.868 4.740 0.001 0.000 0.188 260 N C 1.064 176.600 175.510 0.044 0.000 1.146 260 N CA 0.482 53.518 53.050 -0.022 0.000 0.893 260 N CB 0.199 38.693 38.487 0.012 0.000 0.975 260 N HN 0.691 nan 8.380 nan 0.000 0.451 261 G N -0.105 108.710 108.800 0.026 0.000 2.588 261 G HA2 0.109 4.070 3.960 0.001 0.000 0.281 261 G HA3 0.109 4.070 3.960 0.001 0.000 0.281 261 G C 0.724 175.648 174.900 0.040 0.000 1.236 261 G CA -0.246 44.876 45.100 0.037 0.000 0.969 261 G HN 0.151 nan 8.290 nan 0.000 0.504 262 T N -3.035 111.537 114.554 0.032 0.000 3.186 262 T HA 0.420 4.771 4.350 0.001 0.000 0.257 262 T C 1.888 176.595 174.700 0.012 0.000 1.029 262 T CA 0.778 62.893 62.100 0.025 0.000 0.916 262 T CB 0.617 69.497 68.868 0.021 0.000 1.041 262 T HN 0.620 nan 8.240 nan 0.000 0.562 263 A N 1.334 124.158 122.820 0.008 0.000 1.978 263 A HA 0.058 4.378 4.320 0.001 0.000 0.220 263 A C 2.302 179.890 177.584 0.006 0.000 1.170 263 A CA 1.506 53.545 52.037 0.004 0.000 0.636 263 A CB -0.867 18.134 19.000 0.001 0.000 0.810 263 A HN 0.469 nan 8.150 nan 0.000 0.448 264 V N -0.300 119.618 119.914 0.007 0.000 2.283 264 V HA -0.110 4.011 4.120 0.001 0.000 0.243 264 V C 2.850 178.948 176.094 0.006 0.000 1.039 264 V CA 1.814 64.118 62.300 0.007 0.000 1.016 264 V CB -1.639 30.187 31.823 0.005 0.000 0.650 264 V HN 0.550 nan 8.190 nan 0.000 0.449 265 G N 0.556 109.360 108.800 0.006 0.000 2.440 265 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 265 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 265 G C 1.887 176.792 174.900 0.009 0.000 1.154 265 G CA 1.584 46.688 45.100 0.007 0.000 0.767 265 G HN 0.643 nan 8.290 nan 0.000 0.552 266 S N 0.406 116.110 115.700 0.008 0.000 2.414 266 S HA 0.145 4.616 4.470 0.001 0.000 0.227 266 S C 2.438 177.045 174.600 0.012 0.000 1.022 266 S CA 1.295 59.500 58.200 0.008 0.000 0.958 266 S CB -0.488 62.713 63.200 0.002 0.000 0.797 266 S HN 0.425 nan 8.310 nan 0.000 0.493 267 G N 1.751 110.557 108.800 0.009 0.000 2.421 267 G HA2 -0.148 3.812 3.960 0.001 0.000 0.216 267 G HA3 -0.148 3.812 3.960 0.001 0.000 0.216 267 G C 1.464 176.374 174.900 0.017 0.000 1.171 267 G CA 0.947 46.053 45.100 0.010 0.000 0.775 267 G HN 0.510 nan 8.290 nan 0.000 0.543 268 M N 0.792 120.402 119.600 0.017 0.000 2.175 268 M HA 0.103 4.584 4.480 0.001 0.000 0.264 268 M C 2.770 179.088 176.300 0.031 0.000 1.063 268 M CA 1.562 56.875 55.300 0.021 0.000 1.119 268 M CB -0.073 32.536 32.600 0.014 0.000 1.377 268 M HN 0.272 nan 8.290 nan 0.000 0.415 269 A N -0.405 122.431 122.820 0.027 0.000 1.940 269 A HA -0.159 4.162 4.320 0.001 0.000 0.219 269 A C 2.124 179.739 177.584 0.051 0.000 1.176 269 A CA 2.255 54.312 52.037 0.033 0.000 0.631 269 A CB -0.917 18.097 19.000 0.023 0.000 0.814 269 A HN 0.600 nan 8.150 nan 0.000 0.446 270 S N -0.467 115.264 115.700 0.051 0.000 2.356 270 S HA -0.157 4.314 4.470 0.001 0.000 0.223 270 S C 2.023 176.688 174.600 0.109 0.000 1.032 270 S CA 1.800 60.044 58.200 0.072 0.000 1.005 270 S CB -0.406 62.823 63.200 0.049 0.000 0.867 270 S HN 0.602 nan 8.310 nan 0.000 0.449 271 M N 0.659 120.309 119.600 0.083 0.000 2.080 271 M HA -0.100 4.380 4.480 0.001 0.000 0.260 271 M C 2.177 178.564 176.300 0.145 0.000 1.068 271 M CA 1.245 56.607 55.300 0.103 0.000 1.109 271 M CB -0.723 31.913 32.600 0.061 0.000 1.342 271 M HN 0.133 nan 8.290 nan 0.000 0.405 272 V N 0.725 120.698 119.914 0.099 0.000 2.295 272 V HA -0.254 3.867 4.120 0.001 0.000 0.246 272 V C 2.252 178.404 176.094 0.097 0.000 1.049 272 V CA 1.734 64.084 62.300 0.085 0.000 1.024 272 V CB -0.579 31.276 31.823 0.054 0.000 0.648 272 V HN 0.455 nan 8.190 nan 0.000 0.447 273 L N -1.553 119.732 121.223 0.105 0.000 2.217 273 L HA -0.106 4.235 4.340 0.001 0.000 0.211 273 L C 2.257 179.200 176.870 0.121 0.000 1.107 273 L CA 1.230 56.127 54.840 0.094 0.000 0.783 273 L CB -0.502 41.608 42.059 0.084 0.000 0.919 273 L HN 0.347 nan 8.230 nan 0.000 0.442 274 F N 1.123 121.096 119.950 0.039 0.000 2.102 274 F HA -0.230 4.298 4.527 0.002 0.000 0.298 274 F C 2.507 178.314 175.800 0.011 0.000 1.105 274 F CA 1.699 59.720 58.000 0.035 0.000 1.239 274 F CB -0.028 39.007 39.000 0.057 0.000 0.991 274 F HN 0.051 nan 8.300 nan 0.000 0.474 275 E N 0.386 120.661 120.200 0.126 0.000 2.072 275 E HA -0.198 4.153 4.350 0.001 0.000 0.191 275 E C 2.411 178.987 176.600 -0.041 0.000 0.985 275 E CA 1.082 57.491 56.400 0.015 0.000 0.801 275 E CB -0.607 29.140 29.700 0.079 0.000 0.750 275 E HN 0.512 nan 8.360 nan 0.000 0.452 276 A N 1.796 124.616 122.820 0.001 0.000 1.902 276 A HA -0.233 4.088 4.320 0.001 0.000 0.217 276 A C 1.893 179.478 177.584 0.001 0.000 1.181 276 A CA 1.843 53.884 52.037 0.006 0.000 0.623 276 A CB -0.764 18.249 19.000 0.021 0.000 0.818 276 A HN 0.194 nan 8.150 nan 0.000 0.443 277 N N -0.249 118.442 118.700 -0.014 0.000 2.104 277 N HA -0.102 4.639 4.740 0.001 0.000 0.190 277 N C 1.556 177.054 175.510 -0.019 0.000 1.024 277 N CA 1.723 54.798 53.050 0.043 0.000 0.853 277 N CB -0.312 38.170 38.487 -0.009 0.000 1.008 277 N HN 0.543 nan 8.380 nan 0.000 0.424 278 I N 0.291 120.761 120.570 -0.167 0.000 2.252 278 I HA -0.208 3.963 4.170 0.001 0.000 0.245 278 I C 1.688 177.765 176.117 -0.068 0.000 1.102 278 I CA 0.874 62.068 61.300 -0.177 0.000 1.385 278 I CB -0.150 37.674 38.000 -0.293 0.000 1.064 278 I HN 0.148 nan 8.210 nan 0.000 0.414 279 L N 0.404 121.604 121.223 -0.039 0.000 2.201 279 L HA -0.151 4.190 4.340 0.001 0.000 0.212 279 L C 2.777 179.671 176.870 0.040 0.000 1.105 279 L CA 0.984 55.827 54.840 0.006 0.000 0.775 279 L CB -0.621 41.447 42.059 0.015 0.000 0.913 279 L HN 0.226 nan 8.230 nan 0.000 0.440 280 A N -0.257 122.595 122.820 0.054 0.000 1.898 280 A HA -0.136 4.185 4.320 0.001 0.000 0.216 280 A C 2.316 179.961 177.584 0.100 0.000 1.181 280 A CA 1.673 53.757 52.037 0.078 0.000 0.620 280 A CB -0.737 18.309 19.000 0.076 0.000 0.819 280 A HN 0.175 nan 8.150 nan 0.000 0.442 281 V N -0.219 119.758 119.914 0.105 0.000 2.343 281 V HA -0.225 3.896 4.120 0.001 0.000 0.247 281 V C 2.484 178.605 176.094 0.045 0.000 1.051 281 V CA 1.867 64.209 62.300 0.071 0.000 1.036 281 V CB -0.833 30.997 31.823 0.013 0.000 0.654 281 V HN 0.580 nan 8.190 nan 0.000 0.451 282 L N 1.044 122.287 121.223 0.033 0.000 2.042 282 L HA -0.117 4.223 4.340 0.001 0.000 0.210 282 L C 2.449 179.361 176.870 0.071 0.000 1.076 282 L CA 2.382 57.245 54.840 0.038 0.000 0.749 282 L CB -0.907 41.169 42.059 0.029 0.000 0.893 282 L HN 0.227 nan 8.230 nan 0.000 0.432 283 A N -0.949 121.927 122.820 0.092 0.000 1.933 283 A HA -0.214 4.107 4.320 0.001 0.000 0.218 283 A C 2.145 179.807 177.584 0.129 0.000 1.175 283 A CA 1.765 53.880 52.037 0.129 0.000 0.628 283 A CB -0.566 18.510 19.000 0.127 0.000 0.814 283 A HN 0.626 nan 8.150 nan 0.000 0.444 284 E N -0.468 119.793 120.200 0.101 0.000 2.047 284 E HA -0.111 4.240 4.350 0.001 0.000 0.191 284 E C 1.984 178.636 176.600 0.087 0.000 0.987 284 E CA 1.304 57.760 56.400 0.094 0.000 0.799 284 E CB -0.252 29.486 29.700 0.063 0.000 0.752 284 E HN 0.384 nan 8.360 nan 0.000 0.449 285 V N 1.283 121.234 119.914 0.062 0.000 2.358 285 V HA -0.251 3.870 4.120 0.001 0.000 0.246 285 V C 2.274 178.409 176.094 0.068 0.000 1.047 285 V CA 1.532 63.863 62.300 0.052 0.000 1.035 285 V CB -0.366 31.477 31.823 0.033 0.000 0.658 285 V HN 0.321 nan 8.190 nan 0.000 0.452 286 M N -0.454 119.184 119.600 0.064 0.000 2.213 286 M HA -0.158 4.323 4.480 0.001 0.000 0.263 286 M C 2.397 178.782 176.300 0.142 0.000 1.062 286 M CA 1.584 56.897 55.300 0.021 0.000 1.105 286 M CB -0.469 32.108 32.600 -0.039 0.000 1.385 286 M HN 0.329 nan 8.290 nan 0.000 0.417 287 S N 0.692 116.521 115.700 0.216 0.000 2.382 287 S HA -0.097 4.374 4.470 0.001 0.000 0.228 287 S C 2.070 176.878 174.600 0.346 0.000 1.027 287 S CA 1.357 59.745 58.200 0.315 0.000 0.991 287 S CB -0.291 63.073 63.200 0.273 0.000 0.823 287 S HN 0.577 nan 8.310 nan 0.000 0.469 288 A N 1.421 124.383 122.820 0.237 0.000 1.873 288 A HA 0.015 4.336 4.320 0.001 0.000 0.215 288 A C 2.052 179.719 177.584 0.140 0.000 1.186 288 A CA 1.067 53.222 52.037 0.197 0.000 0.616 288 A CB -0.671 18.394 19.000 0.108 0.000 0.823 288 A HN 0.478 nan 8.150 nan 0.000 0.442 289 I N -1.545 119.088 120.570 0.105 0.000 2.286 289 I HA -0.234 3.937 4.170 0.001 0.000 0.248 289 I C 2.343 178.483 176.117 0.039 0.000 1.115 289 I CA 1.507 62.835 61.300 0.047 0.000 1.392 289 I CB -0.406 37.604 38.000 0.017 0.000 1.065 289 I HN 0.444 nan 8.210 nan 0.000 0.418 290 F N 2.208 122.132 119.950 -0.043 0.000 2.065 290 F HA -0.310 4.218 4.527 0.002 0.000 0.298 290 F C 2.477 178.263 175.800 -0.024 0.000 1.112 290 F CA 1.593 59.589 58.000 -0.006 0.000 1.212 290 F CB -0.554 38.535 39.000 0.148 0.000 0.975 290 F HN 0.020 nan 8.300 nan 0.000 0.476 291 A N -0.020 122.733 122.820 -0.111 0.000 1.933 291 A HA -0.198 4.122 4.320 0.001 0.000 0.218 291 A C 2.146 179.626 177.584 -0.174 0.000 1.175 291 A CA 1.826 53.745 52.037 -0.196 0.000 0.628 291 A CB -0.905 18.176 19.000 0.135 0.000 0.814 291 A HN 0.605 nan 8.150 nan 0.000 0.444 292 E N -0.327 119.801 120.200 -0.122 0.000 2.031 292 E HA -0.165 4.186 4.350 0.001 0.000 0.193 292 E C 2.104 178.451 176.600 -0.422 0.000 0.994 292 E CA 1.871 58.157 56.400 -0.190 0.000 0.800 292 E CB -0.402 29.210 29.700 -0.147 0.000 0.752 292 E HN 0.653 nan 8.360 nan 0.000 0.447 293 V N -1.302 118.351 119.914 -0.436 0.000 2.871 293 V HA -0.099 4.022 4.120 0.001 0.000 0.256 293 V C 1.938 177.827 176.094 -0.341 0.000 1.082 293 V CA 1.066 63.096 62.300 -0.451 0.000 1.105 293 V CB -0.197 31.436 31.823 -0.316 0.000 0.713 293 V HN 0.169 nan 8.190 nan 0.000 0.473 294 M N -0.273 119.099 119.600 -0.380 0.000 2.562 294 M HA 0.120 4.601 4.480 0.001 0.000 0.257 294 M C 1.093 177.233 176.300 -0.267 0.000 1.099 294 M CA 0.700 55.776 55.300 -0.375 0.000 1.099 294 M CB -0.976 31.244 32.600 -0.633 0.000 1.427 294 M HN 0.640 nan 8.290 nan 0.000 0.489 295 Q N -0.158 119.504 119.800 -0.230 0.000 2.478 295 Q HA -0.130 4.211 4.340 0.001 0.000 0.286 295 Q C 0.457 176.383 176.000 -0.123 0.000 1.299 295 Q CA 0.261 55.975 55.803 -0.148 0.000 0.826 295 Q CB -2.530 26.123 28.738 -0.142 0.000 1.199 295 Q HN 0.620 nan 8.270 nan 0.000 0.451 296 G N 1.638 110.350 108.800 -0.147 0.000 2.544 296 G HA2 0.198 4.159 3.960 0.001 0.000 0.242 296 G HA3 0.198 4.159 3.960 0.001 0.000 0.242 296 G C 0.240 175.147 174.900 0.011 0.000 1.247 296 G CA -0.497 44.541 45.100 -0.104 0.000 0.840 296 G HN 0.274 nan 8.290 nan 0.000 0.578 297 K N 2.733 123.161 120.400 0.045 0.000 2.378 297 K HA 0.122 4.443 4.320 0.001 0.000 0.288 297 K C -2.029 174.706 176.600 0.226 0.000 1.057 297 K CA -1.257 55.089 56.287 0.100 0.000 0.971 297 K CB 1.836 34.385 32.500 0.081 0.000 0.975 297 K HN 0.183 nan 8.250 nan 0.000 0.475 298 P HA -0.205 nan 4.420 nan 0.000 0.230 298 P C 0.882 178.194 177.300 0.020 0.000 1.158 298 P CA 1.028 64.204 63.100 0.126 0.000 0.769 298 P CB 0.056 31.773 31.700 0.029 0.000 0.807 299 E N 0.728 120.973 120.200 0.076 0.000 2.401 299 E HA -0.196 4.155 4.350 0.001 0.000 0.199 299 E C 1.674 178.298 176.600 0.039 0.000 1.023 299 E CA 0.510 56.925 56.400 0.025 0.000 0.859 299 E CB -1.224 28.501 29.700 0.042 0.000 0.780 299 E HN 0.354 nan 8.360 nan 0.000 0.523 300 F N 2.315 122.274 119.950 0.016 0.000 2.373 300 F HA -0.071 4.457 4.527 0.001 0.000 0.300 300 F C 2.002 177.845 175.800 0.072 0.000 1.080 300 F CA 1.255 59.283 58.000 0.048 0.000 1.417 300 F CB -0.647 38.396 39.000 0.071 0.000 1.070 300 F HN -0.006 nan 8.300 nan 0.000 0.546 301 T N -3.067 111.111 114.554 -0.627 0.000 3.086 301 T HA 0.024 4.375 4.350 0.001 0.000 0.250 301 T C 0.533 175.031 174.700 -0.337 0.000 1.074 301 T CA -0.241 61.560 62.100 -0.499 0.000 0.988 301 T CB -0.696 67.815 68.868 -0.595 0.000 0.988 301 T HN 0.399 nan 8.240 nan 0.000 0.530 302 D N 1.588 121.822 120.400 -0.276 0.000 2.531 302 D HA -0.105 4.536 4.640 0.001 0.000 0.239 302 D C 0.819 176.985 176.300 -0.224 0.000 1.144 302 D CA 0.247 54.139 54.000 -0.180 0.000 0.869 302 D CB 0.522 41.254 40.800 -0.114 0.000 1.160 302 D HN 0.534 nan 8.370 nan 0.000 0.484 303 H N 3.169 122.133 119.070 -0.177 0.000 2.456 303 H HA -0.166 4.391 4.556 0.001 0.000 0.296 303 H C 2.064 177.310 175.328 -0.136 0.000 1.079 303 H CA 0.866 56.833 56.048 -0.134 0.000 1.322 303 H CB 0.301 30.044 29.762 -0.032 0.000 1.388 303 H HN 0.413 nan 8.280 nan 0.000 0.538 304 L N 0.474 121.737 121.223 0.066 0.000 2.013 304 L HA -0.210 4.131 4.340 0.001 0.000 0.212 304 L C 2.239 179.119 176.870 0.016 0.000 1.073 304 L CA 2.278 57.137 54.840 0.031 0.000 0.753 304 L CB -1.066 40.985 42.059 -0.014 0.000 0.890 304 L HN 0.273 nan 8.230 nan 0.000 0.432 305 T N -1.054 113.450 114.554 -0.084 0.000 2.665 305 T HA -0.227 4.124 4.350 0.001 0.000 0.268 305 T C 1.738 176.498 174.700 0.099 0.000 1.035 305 T CA 1.984 64.050 62.100 -0.056 0.000 1.151 305 T CB -0.469 68.282 68.868 -0.196 0.000 0.862 305 T HN 0.494 nan 8.240 nan 0.000 0.438 306 H N 0.519 119.611 119.070 0.036 0.000 2.415 306 H HA 0.223 4.780 4.556 0.001 0.000 0.297 306 H C 2.246 177.575 175.328 0.001 0.000 1.048 306 H CA 0.770 56.815 56.048 -0.005 0.000 1.365 306 H CB -0.398 29.309 29.762 -0.091 0.000 1.421 306 H HN 0.328 nan 8.280 nan 0.000 0.533 307 K N 1.132 121.650 120.400 0.197 0.000 2.074 307 K HA -0.128 4.193 4.320 0.001 0.000 0.209 307 K C 1.802 178.351 176.600 -0.085 0.000 1.048 307 K CA 1.162 57.541 56.287 0.153 0.000 0.926 307 K CB -0.218 32.403 32.500 0.202 0.000 0.713 307 K HN 0.187 nan 8.250 nan 0.000 0.444 308 L N 0.432 121.642 121.223 -0.022 0.000 2.551 308 L HA -0.092 4.248 4.340 0.001 0.000 0.228 308 L C 1.930 178.839 176.870 0.066 0.000 1.153 308 L CA 0.788 55.601 54.840 -0.045 0.000 0.851 308 L CB -0.063 42.012 42.059 0.027 0.000 0.959 308 L HN 0.139 nan 8.230 nan 0.000 0.451 309 K N -1.547 118.911 120.400 0.097 0.000 2.352 309 K HA 0.091 4.411 4.320 0.001 0.000 0.194 309 K C 0.378 177.012 176.600 0.057 0.000 1.038 309 K CA 0.031 56.397 56.287 0.131 0.000 1.023 309 K CB 0.335 32.912 32.500 0.128 0.000 0.840 309 K HN 0.352 nan 8.250 nan 0.000 0.519 310 H N -1.279 117.707 119.070 -0.140 0.000 4.392 310 H HA -0.159 4.398 4.556 0.001 0.000 0.131 310 H C -0.156 175.100 175.328 -0.120 0.000 0.736 310 H CA 0.823 56.790 56.048 -0.135 0.000 1.251 310 H CB -1.426 28.233 29.762 -0.173 0.000 0.781 310 H HN 0.339 nan 8.280 nan 0.000 0.503 311 H N 3.579 122.733 119.070 0.140 0.000 2.975 311 H HA 0.008 4.565 4.556 0.001 0.000 0.303 311 H C -1.337 174.015 175.328 0.041 0.000 1.023 311 H CA -0.807 55.279 56.048 0.063 0.000 1.473 311 H CB 0.861 30.634 29.762 0.019 0.000 1.498 311 H HN 0.364 nan 8.280 nan 0.000 0.549 312 P HA -0.091 nan 4.420 nan 0.000 0.217 312 P C 1.640 178.984 177.300 0.074 0.000 1.151 312 P CA 1.122 64.281 63.100 0.099 0.000 0.828 312 P CB 0.082 31.834 31.700 0.088 0.000 0.788 313 G N 0.492 109.322 108.800 0.050 0.000 2.440 313 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 313 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 313 G C 1.759 176.659 174.900 -0.001 0.000 1.154 313 G CA 0.798 45.901 45.100 0.006 0.000 0.767 313 G HN 0.358 nan 8.290 nan 0.000 0.552 314 Q N -0.194 119.605 119.800 -0.003 0.000 2.079 314 Q HA -0.025 4.316 4.340 0.001 0.000 0.200 314 Q C 2.548 178.495 176.000 -0.088 0.000 0.974 314 Q CA 0.992 56.752 55.803 -0.072 0.000 0.840 314 Q CB -0.201 28.500 28.738 -0.061 0.000 0.898 314 Q HN 0.543 nan 8.270 nan 0.000 0.430 315 I N 0.799 121.364 120.570 -0.009 0.000 2.226 315 I HA -0.273 3.898 4.170 0.001 0.000 0.245 315 I C 2.503 178.624 176.117 0.005 0.000 1.100 315 I CA 1.578 62.863 61.300 -0.025 0.000 1.374 315 I CB -0.271 37.711 38.000 -0.030 0.000 1.057 315 I HN 0.385 nan 8.210 nan 0.000 0.413 316 E N 1.240 121.477 120.200 0.062 0.000 2.031 316 E HA -0.255 4.096 4.350 0.001 0.000 0.193 316 E C 2.280 178.906 176.600 0.044 0.000 0.994 316 E CA 1.432 57.908 56.400 0.126 0.000 0.800 316 E CB -0.108 29.695 29.700 0.171 0.000 0.752 316 E HN 0.449 nan 8.360 nan 0.000 0.447 317 A N 1.198 124.028 122.820 0.018 0.000 1.908 317 A HA -0.176 4.144 4.320 0.001 0.000 0.218 317 A C 2.430 180.001 177.584 -0.023 0.000 1.181 317 A CA 2.141 54.178 52.037 -0.000 0.000 0.627 317 A CB -0.975 18.032 19.000 0.011 0.000 0.818 317 A HN 0.455 nan 8.150 nan 0.000 0.445 318 A N -0.364 122.452 122.820 -0.006 0.000 1.898 318 A HA 0.194 4.514 4.320 0.001 0.000 0.216 318 A C 2.491 180.043 177.584 -0.053 0.000 1.181 318 A CA 2.018 54.083 52.037 0.047 0.000 0.620 318 A CB -0.952 18.304 19.000 0.427 0.000 0.819 318 A HN 1.081 nan 8.150 nan 0.000 0.442 319 A N -0.203 122.585 122.820 -0.053 0.000 1.930 319 A HA -0.023 4.297 4.320 0.001 0.000 0.217 319 A C 2.099 179.435 177.584 -0.414 0.000 1.175 319 A CA 1.376 53.365 52.037 -0.079 0.000 0.627 319 A CB -0.543 18.565 19.000 0.179 0.000 0.815 319 A HN 0.492 nan 8.150 nan 0.000 0.443 320 I N -0.755 119.503 120.570 -0.521 0.000 2.179 320 I HA -0.305 3.865 4.170 0.001 0.000 0.242 320 I C 2.724 178.651 176.117 -0.316 0.000 1.088 320 I CA 1.588 62.502 61.300 -0.644 0.000 1.357 320 I CB -0.295 37.461 38.000 -0.406 0.000 1.051 320 I HN 0.350 nan 8.210 nan 0.000 0.409 321 M N -0.156 119.338 119.600 -0.177 0.000 2.132 321 M HA -0.232 4.249 4.480 0.001 0.000 0.263 321 M C 2.304 178.517 176.300 -0.144 0.000 1.065 321 M CA 1.699 56.941 55.300 -0.096 0.000 1.122 321 M CB -0.544 32.034 32.600 -0.035 0.000 1.365 321 M HN 0.220 nan 8.290 nan 0.000 0.411 322 E N 0.029 120.115 120.200 -0.189 0.000 2.085 322 E HA -0.285 4.066 4.350 0.001 0.000 0.194 322 E C 2.051 178.581 176.600 -0.117 0.000 0.994 322 E CA 1.323 57.627 56.400 -0.159 0.000 0.801 322 E CB -0.210 29.419 29.700 -0.118 0.000 0.743 322 E HN 0.549 nan 8.360 nan 0.000 0.453 323 H N 0.510 119.428 119.070 -0.253 0.000 2.319 323 H HA -0.132 4.425 4.556 0.001 0.000 0.299 323 H C 2.125 177.383 175.328 -0.117 0.000 1.092 323 H CA 1.745 57.661 56.048 -0.221 0.000 1.302 323 H CB 0.106 29.570 29.762 -0.496 0.000 1.373 323 H HN 0.234 nan 8.280 nan 0.000 0.497 324 I N 1.073 121.569 120.570 -0.123 0.000 2.179 324 I HA -0.268 3.903 4.170 0.001 0.000 0.242 324 I C 2.774 178.844 176.117 -0.079 0.000 1.088 324 I CA 0.883 62.135 61.300 -0.082 0.000 1.357 324 I CB -0.996 37.002 38.000 -0.004 0.000 1.051 324 I HN 0.285 nan 8.210 nan 0.000 0.409 325 L N 0.126 121.308 121.223 -0.067 0.000 2.156 325 L HA -0.178 4.162 4.340 0.001 0.000 0.208 325 L C 2.085 178.921 176.870 -0.057 0.000 1.095 325 L CA 1.068 55.888 54.840 -0.034 0.000 0.770 325 L CB -0.525 41.516 42.059 -0.030 0.000 0.914 325 L HN 0.194 nan 8.230 nan 0.000 0.439 326 D N 0.112 120.451 120.400 -0.102 0.000 2.269 326 D HA -0.092 4.549 4.640 0.001 0.000 0.208 326 D C 1.744 177.979 176.300 -0.108 0.000 0.963 326 D CA 0.996 54.939 54.000 -0.095 0.000 0.864 326 D CB 0.171 40.915 40.800 -0.093 0.000 0.936 326 D HN 0.189 nan 8.370 nan 0.000 0.505 327 G N -0.601 108.111 108.800 -0.147 0.000 3.690 327 G HA2 0.155 4.116 3.960 0.001 0.000 0.283 327 G HA3 0.155 4.116 3.960 0.001 0.000 0.283 327 G C -0.124 174.732 174.900 -0.074 0.000 1.057 327 G CA -0.229 44.799 45.100 -0.121 0.000 0.821 327 G HN 0.169 nan 8.290 nan 0.000 0.526 328 S N 0.207 115.879 115.700 -0.046 0.000 2.475 328 S HA 0.543 5.013 4.470 0.001 0.000 0.281 328 S C 1.491 176.057 174.600 -0.056 0.000 1.198 328 S CA 0.116 58.311 58.200 -0.007 0.000 1.063 328 S CB 1.309 64.555 63.200 0.075 0.000 0.972 328 S HN 0.378 nan 8.310 nan 0.000 0.486 329 A N 4.799 127.523 122.820 -0.160 0.000 2.119 329 A HA 0.076 4.397 4.320 0.001 0.000 0.217 329 A C 1.226 178.657 177.584 -0.255 0.000 1.153 329 A CA 0.979 52.871 52.037 -0.240 0.000 0.692 329 A CB -0.623 18.170 19.000 -0.345 0.000 0.799 329 A HN 0.927 nan 8.150 nan 0.000 0.458 330 Y N -0.702 119.566 120.300 -0.053 0.000 2.263 330 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 330 Y C 2.291 178.166 175.900 -0.042 0.000 1.130 330 Y CA 1.084 59.155 58.100 -0.048 0.000 1.179 330 Y CB -0.553 37.877 38.460 -0.051 0.000 0.998 330 Y HN 0.072 nan 8.280 nan 0.000 0.532 331 V N 0.584 120.570 119.914 0.120 0.000 3.330 331 V HA -0.205 3.916 4.120 0.001 0.000 0.273 331 V C 0.673 176.780 176.094 0.022 0.000 1.179 331 V CA 0.914 63.248 62.300 0.056 0.000 1.174 331 V CB -1.092 30.754 31.823 0.038 0.000 0.794 331 V HN 0.277 nan 8.190 nan 0.000 0.527 332 K N 2.003 122.406 120.400 0.006 0.000 1.985 332 K HA 0.298 4.619 4.320 0.001 0.000 0.234 332 K C 0.223 176.829 176.600 0.009 0.000 1.140 332 K CA 0.067 56.350 56.287 -0.006 0.000 1.141 332 K CB -0.099 32.382 32.500 -0.033 0.000 1.165 332 K HN 0.420 nan 8.250 nan 0.000 0.301 333 A N 1.798 124.626 122.820 0.012 0.000 2.318 333 A HA 0.677 4.998 4.320 0.001 0.000 0.324 333 A C -0.452 177.145 177.584 0.021 0.000 1.170 333 A CA -0.772 51.273 52.037 0.013 0.000 0.810 333 A CB 1.235 20.241 19.000 0.009 0.000 1.198 333 A HN 0.582 nan 8.150 nan 0.000 0.484 334 A N 2.434 125.274 122.820 0.033 0.000 2.290 334 A HA 0.580 4.900 4.320 0.001 0.000 0.310 334 A C 0.501 178.127 177.584 0.070 0.000 1.202 334 A CA -0.613 51.457 52.037 0.056 0.000 0.837 334 A CB 0.290 19.340 19.000 0.082 0.000 1.139 334 A HN 0.853 nan 8.150 nan 0.000 0.509 335 Q N 1.666 121.502 119.800 0.060 0.000 2.843 335 Q HA 0.136 4.477 4.340 0.001 0.000 0.326 335 Q C 0.326 176.377 176.000 0.085 0.000 1.140 335 Q CA 0.139 55.976 55.803 0.057 0.000 0.606 335 Q CB -0.328 28.434 28.738 0.040 0.000 4.882 335 Q HN 0.725 nan 8.270 nan 0.000 0.366 336 K N 0.550 120.989 120.400 0.065 0.000 2.276 336 K HA 0.076 4.397 4.320 0.001 0.000 0.259 336 K C -0.029 176.604 176.600 0.055 0.000 1.001 336 K CA -0.005 56.322 56.287 0.065 0.000 0.927 336 K CB 0.059 32.584 32.500 0.042 0.000 0.969 336 K HN 0.403 nan 8.250 nan 0.000 0.490 337 L N 3.035 124.279 121.223 0.035 0.000 3.713 337 L HA -0.253 4.088 4.340 0.001 0.000 0.499 337 L C 0.778 177.646 176.870 -0.003 0.000 1.281 337 L CA 0.197 55.030 54.840 -0.011 0.000 0.796 337 L CB -2.112 39.940 42.059 -0.012 0.000 1.535 337 L HN 0.822 nan 8.230 nan 0.000 0.851 338 H N -0.635 118.432 119.070 -0.005 0.000 2.757 338 H HA 0.216 4.773 4.556 0.001 0.000 0.370 338 H C 0.520 175.854 175.328 0.009 0.000 1.172 338 H CA 0.034 56.087 56.048 0.009 0.000 1.426 338 H CB 1.685 31.463 29.762 0.026 0.000 1.438 338 H HN 0.324 nan 8.280 nan 0.000 0.612 339 E N 1.731 122.073 120.200 0.238 0.000 2.354 339 E HA 0.136 4.487 4.350 0.001 0.000 0.203 339 E C 1.353 178.120 176.600 0.279 0.000 0.841 339 E CA 0.533 57.033 56.400 0.166 0.000 1.046 339 E CB 0.644 30.392 29.700 0.080 0.000 1.040 339 E HN 0.637 nan 8.360 nan 0.000 0.504 340 M N -0.161 119.579 119.600 0.234 0.000 2.586 340 M HA 0.251 4.732 4.480 0.001 0.000 0.150 340 M C -0.622 175.661 176.300 -0.028 0.000 1.550 340 M CA 0.024 55.400 55.300 0.128 0.000 1.553 340 M CB -0.013 32.626 32.600 0.065 0.000 0.785 340 M HN -0.210 nan 8.290 nan 0.000 0.609 341 D N 2.258 122.622 120.400 -0.060 0.000 2.256 341 D HA 0.401 5.042 4.640 0.001 0.000 0.240 341 D C -2.367 173.855 176.300 -0.130 0.000 1.062 341 D CA -1.193 52.722 54.000 -0.141 0.000 0.832 341 D CB 1.173 41.949 40.800 -0.039 0.000 1.135 341 D HN 0.055 nan 8.370 nan 0.000 0.484 342 P HA 0.305 nan 4.420 nan 0.000 0.285 342 P C -0.088 177.196 177.300 -0.028 0.000 1.280 342 P CA -0.714 62.349 63.100 -0.061 0.000 0.862 342 P CB 1.375 33.059 31.700 -0.028 0.000 1.153 343 L N 0.624 121.852 121.223 0.008 0.000 2.456 343 L HA 0.156 4.497 4.340 0.001 0.000 0.246 343 L C 1.208 178.090 176.870 0.019 0.000 1.238 343 L CA -0.009 54.842 54.840 0.018 0.000 0.826 343 L CB -0.153 41.923 42.059 0.030 0.000 1.150 343 L HN 0.283 nan 8.230 nan 0.000 0.514 344 Q N 0.444 120.258 119.800 0.024 0.000 2.674 344 Q HA 0.163 4.503 4.340 0.001 0.000 0.249 344 Q C -0.249 175.772 176.000 0.034 0.000 1.011 344 Q CA -0.308 55.512 55.803 0.028 0.000 0.734 344 Q CB 1.765 30.512 28.738 0.015 0.000 1.201 344 Q HN 0.431 nan 8.270 nan 0.000 0.498 345 K N 1.068 121.490 120.400 0.037 0.000 2.017 345 K HA 0.135 4.456 4.320 0.001 0.000 0.207 345 K C -1.580 175.042 176.600 0.036 0.000 1.035 345 K CA 0.758 57.067 56.287 0.036 0.000 0.947 345 K CB -0.835 31.685 32.500 0.034 0.000 0.749 345 K HN 0.419 nan 8.250 nan 0.000 0.443 346 P HA 0.046 nan 4.420 nan 0.000 0.275 346 P C -1.246 176.079 177.300 0.041 0.000 1.227 346 P CA 0.157 63.280 63.100 0.037 0.000 0.781 346 P CB 0.503 32.225 31.700 0.036 0.000 0.906 347 K N 2.139 122.563 120.400 0.040 0.000 4.856 347 K HA -0.214 4.107 4.320 0.001 0.000 0.306 347 K C -0.371 176.248 176.600 0.032 0.000 0.895 347 K CA 0.647 56.957 56.287 0.039 0.000 0.963 347 K CB -1.712 30.820 32.500 0.054 0.000 1.737 347 K HN 0.498 nan 8.250 nan 0.000 0.424 348 Q N 1.660 121.479 119.800 0.032 0.000 2.469 348 Q HA -0.025 4.316 4.340 0.001 0.000 0.279 348 Q C 0.144 176.152 176.000 0.014 0.000 1.097 348 Q CA 0.626 56.449 55.803 0.033 0.000 0.951 348 Q CB 0.375 29.145 28.738 0.054 0.000 1.297 348 Q HN 0.442 nan 8.270 nan 0.000 0.465 349 D N 1.361 121.762 120.400 0.000 0.000 2.423 349 D HA 0.023 4.664 4.640 0.001 0.000 0.238 349 D C 0.317 176.612 176.300 -0.007 0.000 1.142 349 D CA 0.460 54.438 54.000 -0.038 0.000 0.884 349 D CB 0.593 41.337 40.800 -0.095 0.000 1.199 349 D HN 0.208 nan 8.370 nan 0.000 0.438 350 R N 0.876 121.353 120.500 -0.038 0.000 2.649 350 R HA 0.095 4.435 4.340 0.001 0.000 0.270 350 R C 1.038 177.398 176.300 0.101 0.000 1.105 350 R CA -0.574 55.511 56.100 -0.025 0.000 1.193 350 R CB 0.308 30.508 30.300 -0.167 0.000 1.120 350 R HN 0.432 nan 8.270 nan 0.000 0.561 351 Y N 0.396 120.624 120.300 -0.121 0.000 2.293 351 Y HA -0.107 4.444 4.550 0.001 0.000 0.291 351 Y C 2.224 178.044 175.900 -0.134 0.000 1.137 351 Y CA 1.010 59.045 58.100 -0.108 0.000 1.202 351 Y CB -0.842 37.553 38.460 -0.107 0.000 0.990 351 Y HN 0.721 nan 8.280 nan 0.000 0.537 352 A N -0.616 122.206 122.820 0.003 0.000 2.067 352 A HA -0.085 4.236 4.320 0.001 0.000 0.219 352 A C 2.327 179.924 177.584 0.022 0.000 1.158 352 A CA 1.105 53.087 52.037 -0.091 0.000 0.661 352 A CB -0.732 18.158 19.000 -0.183 0.000 0.801 352 A HN 0.488 nan 8.150 nan 0.000 0.452 353 L N -1.460 119.808 121.223 0.074 0.000 2.116 353 L HA 0.101 4.442 4.340 0.001 0.000 0.200 353 L C 2.598 179.203 176.870 -0.442 0.000 1.084 353 L CA 1.144 55.956 54.840 -0.048 0.000 0.766 353 L CB -0.254 41.715 42.059 -0.150 0.000 0.930 353 L HN 0.396 nan 8.230 nan 0.000 0.453 354 R N -0.714 119.585 120.500 -0.335 0.000 2.189 354 R HA -0.105 4.236 4.340 0.001 0.000 0.218 354 R C 1.463 177.747 176.300 -0.028 0.000 1.074 354 R CA 1.586 57.502 56.100 -0.306 0.000 0.991 354 R CB -0.083 30.155 30.300 -0.103 0.000 0.883 354 R HN 0.510 nan 8.270 nan 0.000 0.457 355 T N -2.100 112.436 114.554 -0.030 0.000 3.134 355 T HA 0.076 4.426 4.350 0.001 0.000 0.260 355 T C 1.501 176.279 174.700 0.130 0.000 1.027 355 T CA 0.249 62.371 62.100 0.036 0.000 0.913 355 T CB 0.434 69.260 68.868 -0.070 0.000 1.046 355 T HN 0.250 nan 8.240 nan 0.000 0.553 356 S N 2.370 118.153 115.700 0.138 0.000 2.383 356 S HA -0.015 4.456 4.470 0.001 0.000 0.229 356 S C -0.659 174.071 174.600 0.216 0.000 1.030 356 S CA 0.848 59.164 58.200 0.195 0.000 1.002 356 S CB -1.661 61.654 63.200 0.192 0.000 0.829 356 S HN 0.437 nan 8.310 nan 0.000 0.467 357 P HA 0.002 nan 4.420 nan 0.000 0.216 357 P C 1.484 178.763 177.300 -0.035 0.000 1.153 357 P CA 1.190 64.302 63.100 0.020 0.000 0.844 357 P CB -0.148 31.455 31.700 -0.161 0.000 0.787 358 Q N -1.772 118.020 119.800 -0.012 0.000 2.124 358 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 358 Q C 1.977 178.011 176.000 0.056 0.000 0.977 358 Q CA 1.414 57.221 55.803 0.007 0.000 0.850 358 Q CB -0.884 27.885 28.738 0.052 0.000 0.901 358 Q HN 0.403 nan 8.270 nan 0.000 0.429 359 W N 0.039 121.314 121.300 -0.043 0.000 2.441 359 W HA -0.047 4.613 4.660 0.001 0.000 0.302 359 W C 1.296 177.794 176.519 -0.035 0.000 1.191 359 W CA 0.966 58.293 57.345 -0.030 0.000 1.327 359 W CB -0.056 29.401 29.460 -0.004 0.000 1.128 359 W HN 0.170 nan 8.180 nan 0.000 0.522 360 L N 0.275 121.588 121.223 0.150 0.000 2.156 360 L HA -0.035 4.306 4.340 0.001 0.000 0.208 360 L C 2.777 179.612 176.870 -0.057 0.000 1.095 360 L CA 1.146 56.019 54.840 0.056 0.000 0.770 360 L CB -1.416 40.710 42.059 0.112 0.000 0.914 360 L HN -0.015 nan 8.230 nan 0.000 0.439 361 G N 1.262 110.022 108.800 -0.066 0.000 2.529 361 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 361 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 361 G C -0.770 174.049 174.900 -0.136 0.000 1.177 361 G CA 0.902 45.948 45.100 -0.089 0.000 0.773 361 G HN 0.318 nan 8.290 nan 0.000 0.573 362 P HA -0.057 nan 4.420 nan 0.000 0.220 362 P C 1.851 179.036 177.300 -0.192 0.000 1.148 362 P CA 1.028 63.997 63.100 -0.218 0.000 0.803 362 P CB 0.045 31.569 31.700 -0.294 0.000 0.782 363 Q N -0.472 119.208 119.800 -0.200 0.000 2.079 363 Q HA -0.064 4.277 4.340 0.001 0.000 0.200 363 Q C 2.281 178.196 176.000 -0.143 0.000 0.974 363 Q CA 1.249 56.957 55.803 -0.159 0.000 0.840 363 Q CB -1.186 27.472 28.738 -0.134 0.000 0.898 363 Q HN 0.358 nan 8.270 nan 0.000 0.430 364 I N 1.151 121.624 120.570 -0.163 0.000 2.226 364 I HA -0.255 3.916 4.170 0.001 0.000 0.245 364 I C 2.168 178.143 176.117 -0.238 0.000 1.100 364 I CA 1.153 62.297 61.300 -0.260 0.000 1.374 364 I CB -0.215 37.613 38.000 -0.287 0.000 1.057 364 I HN 0.226 nan 8.210 nan 0.000 0.413 365 E N 0.233 120.340 120.200 -0.155 0.000 2.085 365 E HA -0.194 4.157 4.350 0.001 0.000 0.194 365 E C 2.327 178.877 176.600 -0.084 0.000 0.994 365 E CA 1.421 57.760 56.400 -0.101 0.000 0.801 365 E CB -0.099 29.557 29.700 -0.074 0.000 0.743 365 E HN 0.291 nan 8.360 nan 0.000 0.453 366 V N 1.273 121.131 119.914 -0.093 0.000 2.358 366 V HA -0.234 3.887 4.120 0.001 0.000 0.246 366 V C 2.201 178.261 176.094 -0.057 0.000 1.047 366 V CA 1.420 63.678 62.300 -0.069 0.000 1.035 366 V CB -0.332 31.444 31.823 -0.078 0.000 0.658 366 V HN 0.261 nan 8.190 nan 0.000 0.452 367 I N -0.427 120.096 120.570 -0.077 0.000 2.226 367 I HA -0.252 3.919 4.170 0.001 0.000 0.245 367 I C 2.731 178.832 176.117 -0.028 0.000 1.100 367 I CA 1.659 62.928 61.300 -0.053 0.000 1.374 367 I CB -0.359 37.599 38.000 -0.070 0.000 1.057 367 I HN 0.204 nan 8.210 nan 0.000 0.413 368 R N 0.239 120.705 120.500 -0.055 0.000 2.066 368 R HA -0.172 4.169 4.340 0.001 0.000 0.232 368 R C 2.574 178.887 176.300 0.021 0.000 1.131 368 R CA 1.781 57.884 56.100 0.006 0.000 0.955 368 R CB -0.258 30.038 30.300 -0.006 0.000 0.851 368 R HN 0.176 nan 8.270 nan 0.000 0.432 369 S N -0.275 115.429 115.700 0.006 0.000 2.370 369 S HA -0.129 4.342 4.470 0.001 0.000 0.226 369 S C 1.892 176.502 174.600 0.016 0.000 1.033 369 S CA 1.865 60.075 58.200 0.017 0.000 1.011 369 S CB -0.181 63.027 63.200 0.013 0.000 0.852 369 S HN 0.423 nan 8.310 nan 0.000 0.457 370 S N 0.522 116.226 115.700 0.007 0.000 2.382 370 S HA -0.083 4.387 4.470 0.001 0.000 0.228 370 S C 1.982 176.594 174.600 0.020 0.000 1.027 370 S CA 1.651 59.856 58.200 0.009 0.000 0.991 370 S CB -0.821 62.380 63.200 0.003 0.000 0.823 370 S HN 0.669 nan 8.310 nan 0.000 0.469 371 T N 2.380 116.952 114.554 0.031 0.000 2.746 371 T HA -0.070 4.280 4.350 0.001 0.000 0.267 371 T C 1.827 176.550 174.700 0.039 0.000 1.039 371 T CA 1.053 63.181 62.100 0.046 0.000 1.142 371 T CB -0.157 68.751 68.868 0.066 0.000 0.866 371 T HN 0.239 nan 8.240 nan 0.000 0.444 372 K N 1.033 121.453 120.400 0.034 0.000 2.148 372 K HA 0.150 4.471 4.320 0.001 0.000 0.204 372 K C 2.210 178.816 176.600 0.009 0.000 1.050 372 K CA 0.918 57.221 56.287 0.027 0.000 0.942 372 K CB -0.524 31.994 32.500 0.031 0.000 0.724 372 K HN 0.438 nan 8.250 nan 0.000 0.446 373 M N 0.338 119.941 119.600 0.005 0.000 2.086 373 M HA -0.136 4.345 4.480 0.001 0.000 0.261 373 M C 1.982 178.275 176.300 -0.011 0.000 1.067 373 M CA 1.329 56.623 55.300 -0.011 0.000 1.116 373 M CB -0.306 32.288 32.600 -0.009 0.000 1.348 373 M HN -0.041 nan 8.290 nan 0.000 0.407 374 I N 0.428 120.999 120.570 0.003 0.000 2.315 374 I HA -0.200 3.971 4.170 0.001 0.000 0.248 374 I C 2.160 178.281 176.117 0.006 0.000 1.117 374 I CA 1.614 62.918 61.300 0.006 0.000 1.404 374 I CB -1.284 36.728 38.000 0.021 0.000 1.071 374 I HN 0.396 nan 8.210 nan 0.000 0.419 375 E N 0.397 120.605 120.200 0.013 0.000 2.153 375 E HA -0.196 4.154 4.350 0.001 0.000 0.194 375 E C 2.313 178.908 176.600 -0.008 0.000 0.988 375 E CA 0.813 57.220 56.400 0.011 0.000 0.811 375 E CB -0.041 29.673 29.700 0.024 0.000 0.746 375 E HN 0.466 nan 8.360 nan 0.000 0.466 376 R N 0.619 121.106 120.500 -0.021 0.000 2.075 376 R HA -0.153 4.188 4.340 0.001 0.000 0.232 376 R C 2.314 178.583 176.300 -0.052 0.000 1.126 376 R CA 1.291 57.363 56.100 -0.046 0.000 0.963 376 R CB -0.166 30.095 30.300 -0.066 0.000 0.858 376 R HN 0.040 nan 8.270 nan 0.000 0.435 377 E N 1.476 121.651 120.200 -0.042 0.000 2.077 377 E HA -0.167 4.183 4.350 0.001 0.000 0.193 377 E C 1.770 178.351 176.600 -0.032 0.000 0.989 377 E CA 1.302 57.677 56.400 -0.041 0.000 0.800 377 E CB -0.139 29.543 29.700 -0.030 0.000 0.746 377 E HN 0.517 nan 8.360 nan 0.000 0.452 378 I N -2.487 118.071 120.570 -0.020 0.000 3.428 378 I HA 0.091 4.262 4.170 0.001 0.000 0.286 378 I C 0.701 176.807 176.117 -0.019 0.000 1.287 378 I CA 0.705 61.996 61.300 -0.015 0.000 1.396 378 I CB -0.022 37.975 38.000 -0.005 0.000 1.062 378 I HN -0.068 nan 8.210 nan 0.000 0.471 379 N N 1.282 119.966 118.700 -0.026 0.000 2.234 379 N HA 0.214 4.954 4.740 0.001 0.000 0.227 379 N C -0.142 175.341 175.510 -0.044 0.000 1.151 379 N CA 0.003 53.036 53.050 -0.028 0.000 0.865 379 N CB 0.908 39.380 38.487 -0.025 0.000 1.066 379 N HN 0.250 nan 8.380 nan 0.000 0.515 380 S N 0.172 115.840 115.700 -0.053 0.000 2.672 380 S HA 0.397 4.868 4.470 0.001 0.000 0.276 380 S C 0.419 174.983 174.600 -0.061 0.000 1.207 380 S CA -0.503 57.652 58.200 -0.076 0.000 1.002 380 S CB 2.259 65.405 63.200 -0.089 0.000 0.998 380 S HN -0.152 nan 8.310 nan 0.000 0.542 381 V N 3.398 123.262 119.914 -0.083 0.000 2.334 381 V HA 0.255 4.376 4.120 0.001 0.000 0.267 381 V C 0.165 176.217 176.094 -0.069 0.000 1.040 381 V CA -0.484 61.780 62.300 -0.060 0.000 0.866 381 V CB 0.417 32.195 31.823 -0.075 0.000 1.019 381 V HN 0.720 nan 8.190 nan 0.000 0.468 382 N N 2.888 121.567 118.700 -0.035 0.000 2.320 382 N HA 0.160 4.901 4.740 0.001 0.000 0.237 382 N C -0.241 175.289 175.510 0.034 0.000 1.129 382 N CA -0.062 52.975 53.050 -0.023 0.000 0.854 382 N CB 0.593 39.075 38.487 -0.007 0.000 1.083 382 N HN 0.634 nan 8.380 nan 0.000 0.504 383 D N 0.311 120.725 120.400 0.024 0.000 2.326 383 D HA 0.351 4.992 4.640 0.001 0.000 0.248 383 D C -0.718 175.635 176.300 0.088 0.000 1.001 383 D CA -0.435 53.604 54.000 0.065 0.000 0.961 383 D CB 1.285 42.105 40.800 0.033 0.000 1.183 383 D HN 0.002 nan 8.370 nan 0.000 0.502 384 N N 1.259 120.040 118.700 0.134 0.000 2.371 384 N HA 0.274 5.015 4.740 0.001 0.000 0.280 384 N C -3.027 172.538 175.510 0.092 0.000 1.084 384 N CA -1.278 51.851 53.050 0.132 0.000 0.892 384 N CB 2.513 41.205 38.487 0.342 0.000 1.653 384 N HN 0.130 nan 8.380 nan 0.000 0.480 385 P HA 0.256 nan 4.420 nan 0.000 0.276 385 P C -0.401 176.833 177.300 -0.111 0.000 1.252 385 P CA -0.368 62.627 63.100 -0.174 0.000 0.802 385 P CB 1.387 32.752 31.700 -0.557 0.000 1.035 386 L N 1.519 122.661 121.223 -0.134 0.000 2.349 386 L HA 0.278 4.619 4.340 0.001 0.000 0.275 386 L C 0.593 177.390 176.870 -0.122 0.000 1.115 386 L CA -0.704 54.085 54.840 -0.084 0.000 0.820 386 L CB 0.169 42.158 42.059 -0.116 0.000 1.135 386 L HN 0.190 nan 8.230 nan 0.000 0.445 387 I N 2.655 123.170 120.570 -0.091 0.000 2.291 387 I HA 0.132 4.302 4.170 0.001 0.000 0.290 387 I C -0.107 175.856 176.117 -0.257 0.000 1.050 387 I CA -0.072 61.047 61.300 -0.302 0.000 1.245 387 I CB 0.806 38.656 38.000 -0.251 0.000 1.405 387 I HN 0.519 nan 8.210 nan 0.000 0.478 388 D N 6.813 127.010 120.400 -0.339 0.000 2.467 388 D HA 0.173 4.814 4.640 0.001 0.000 0.220 388 D C 0.972 177.052 176.300 -0.367 0.000 1.103 388 D CA -0.299 53.598 54.000 -0.172 0.000 0.886 388 D CB 1.505 42.258 40.800 -0.078 0.000 1.025 388 D HN 0.239 nan 8.370 nan 0.000 0.514 389 V N 3.055 122.754 119.914 -0.358 0.000 2.427 389 V HA -0.169 3.951 4.120 0.001 0.000 0.248 389 V C 2.456 178.480 176.094 -0.117 0.000 1.051 389 V CA 1.687 63.798 62.300 -0.315 0.000 1.048 389 V CB -0.374 31.336 31.823 -0.189 0.000 0.666 389 V HN 0.557 nan 8.190 nan 0.000 0.456 390 S N -0.118 115.532 115.700 -0.082 0.000 2.382 390 S HA -0.186 4.285 4.470 0.001 0.000 0.228 390 S C 2.045 176.640 174.600 -0.009 0.000 1.027 390 S CA 1.468 59.653 58.200 -0.024 0.000 0.991 390 S CB -0.196 63.000 63.200 -0.006 0.000 0.823 390 S HN 0.584 nan 8.310 nan 0.000 0.469 391 R N 0.415 120.898 120.500 -0.027 0.000 2.317 391 R HA 0.199 4.540 4.340 0.001 0.000 0.208 391 R C 0.295 176.604 176.300 0.015 0.000 0.914 391 R CA 0.391 56.486 56.100 -0.008 0.000 1.060 391 R CB -0.084 30.206 30.300 -0.017 0.000 1.015 391 R HN 0.460 nan 8.270 nan 0.000 0.498 392 N N 1.562 120.269 118.700 0.012 0.000 2.738 392 N HA -0.193 4.548 4.740 0.001 0.000 0.249 392 N C -1.499 174.154 175.510 0.237 0.000 1.047 392 N CA 1.280 54.447 53.050 0.195 0.000 0.707 392 N CB -0.714 37.920 38.487 0.245 0.000 0.937 392 N HN 0.502 nan 8.380 nan 0.000 0.545 393 K N -2.298 118.065 120.400 -0.062 0.000 2.579 393 K HA 0.794 5.115 4.320 0.001 0.000 0.284 393 K C -1.292 175.147 176.600 -0.268 0.000 0.990 393 K CA -0.690 55.605 56.287 0.013 0.000 0.880 393 K CB 0.892 33.428 32.500 0.059 0.000 1.488 393 K HN 0.086 nan 8.250 nan 0.000 0.425 394 A N 1.811 124.586 122.820 -0.076 0.000 2.309 394 A HA 0.589 4.910 4.320 0.001 0.000 0.298 394 A C -0.490 177.011 177.584 -0.137 0.000 1.165 394 A CA -0.810 51.131 52.037 -0.159 0.000 0.821 394 A CB 0.164 19.144 19.000 -0.033 0.000 1.102 394 A HN 0.548 nan 8.150 nan 0.000 0.500 395 I N 3.839 124.284 120.570 -0.210 0.000 2.354 395 I HA 0.239 4.410 4.170 0.001 0.000 0.286 395 I C -0.097 175.901 176.117 -0.199 0.000 1.007 395 I CA -0.271 60.953 61.300 -0.126 0.000 1.167 395 I CB 0.599 38.539 38.000 -0.100 0.000 1.320 395 I HN 0.614 nan 8.210 nan 0.000 0.458 396 H N 4.381 123.465 119.070 0.025 0.000 2.525 396 H HA 0.687 5.243 4.556 0.001 0.000 0.339 396 H C 0.523 175.861 175.328 0.017 0.000 1.109 396 H CA -0.121 55.955 56.048 0.047 0.000 1.352 396 H CB 2.155 31.960 29.762 0.072 0.000 1.461 396 H HN 0.848 nan 8.280 nan 0.000 0.533 397 G N 0.149 109.013 108.800 0.106 0.000 2.500 397 G HA2 0.347 4.308 3.960 0.001 0.000 0.299 397 G HA3 0.347 4.308 3.960 0.001 0.000 0.299 397 G C -0.281 174.539 174.900 -0.132 0.000 1.242 397 G CA -0.057 45.035 45.100 -0.013 0.000 0.859 397 G HN 0.608 nan 8.290 nan 0.000 0.481 398 G N -0.321 108.260 108.800 -0.366 0.000 4.250 398 G HA2 0.287 4.248 3.960 0.001 0.000 0.295 398 G HA3 0.287 4.248 3.960 0.001 0.000 0.295 398 G C 0.404 174.705 174.900 -0.997 0.000 1.081 398 G CA 0.017 44.595 45.100 -0.870 0.000 0.854 398 G HN 0.292 nan 8.290 nan 0.000 0.524 399 N N 0.973 119.270 118.700 -0.672 0.000 2.520 399 N HA -0.051 4.689 4.740 0.001 0.000 0.185 399 N C 1.669 176.985 175.510 -0.324 0.000 1.068 399 N CA 0.338 53.147 53.050 -0.401 0.000 0.911 399 N CB -0.249 38.099 38.487 -0.230 0.000 0.961 399 N HN 0.593 nan 8.380 nan 0.000 0.446 400 F N 0.154 120.083 119.950 -0.034 0.000 2.604 400 F HA 0.130 4.659 4.527 0.003 0.000 0.298 400 F C 0.941 176.725 175.800 -0.026 0.000 1.131 400 F CA -0.361 57.621 58.000 -0.031 0.000 1.457 400 F CB -1.003 37.980 39.000 -0.028 0.000 1.095 400 F HN -0.181 nan 8.300 nan 0.000 0.574 401 Q N 2.278 122.017 119.800 -0.102 0.000 2.348 401 Q HA 0.333 4.674 4.340 0.001 0.000 0.251 401 Q C 0.925 176.920 176.000 -0.008 0.000 1.113 401 Q CA 0.115 55.930 55.803 0.021 0.000 0.902 401 Q CB 0.674 29.363 28.738 -0.080 0.000 1.333 401 Q HN 0.382 nan 8.270 nan 0.000 0.457 402 G N 3.089 111.909 108.800 0.034 0.000 3.414 402 G HA2 -0.025 3.935 3.960 0.001 0.000 0.258 402 G HA3 -0.025 3.935 3.960 0.001 0.000 0.258 402 G C 0.718 175.617 174.900 -0.001 0.000 1.348 402 G CA 0.132 45.238 45.100 0.010 0.000 1.319 402 G HN 0.723 nan 8.290 nan 0.000 0.555 403 T N 1.982 116.530 114.554 -0.011 0.000 2.699 403 T HA -0.132 4.219 4.350 0.001 0.000 0.268 403 T C 0.111 174.803 174.700 -0.015 0.000 1.036 403 T CA 1.419 63.512 62.100 -0.011 0.000 1.147 403 T CB -0.658 68.198 68.868 -0.018 0.000 0.862 403 T HN 0.288 nan 8.240 nan 0.000 0.446 404 P HA 0.011 nan 4.420 nan 0.000 0.218 404 P C 1.290 178.583 177.300 -0.013 0.000 1.148 404 P CA 0.833 63.918 63.100 -0.024 0.000 0.822 404 P CB -0.208 31.469 31.700 -0.038 0.000 0.784 405 I N -0.975 119.590 120.570 -0.008 0.000 2.193 405 I HA -0.125 4.046 4.170 0.001 0.000 0.240 405 I C 2.600 178.718 176.117 0.001 0.000 1.084 405 I CA 1.745 63.044 61.300 -0.001 0.000 1.365 405 I CB -1.423 36.579 38.000 0.002 0.000 1.064 405 I HN -0.029 nan 8.210 nan 0.000 0.410 406 G N 0.687 109.488 108.800 0.002 0.000 2.446 406 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 406 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 406 G C 1.718 176.618 174.900 0.000 0.000 1.168 406 G CA 1.154 46.256 45.100 0.004 0.000 0.771 406 G HN 0.234 nan 8.290 nan 0.000 0.551 407 V N 1.811 121.724 119.914 -0.003 0.000 2.307 407 V HA -0.193 3.927 4.120 0.001 0.000 0.245 407 V C 3.295 179.386 176.094 -0.006 0.000 1.045 407 V CA 2.419 64.716 62.300 -0.005 0.000 1.024 407 V CB -0.581 31.239 31.823 -0.006 0.000 0.651 407 V HN 0.626 nan 8.190 nan 0.000 0.449 408 S N -0.491 115.207 115.700 -0.005 0.000 2.382 408 S HA -0.202 4.269 4.470 0.001 0.000 0.228 408 S C 1.956 176.554 174.600 -0.003 0.000 1.027 408 S CA 1.503 59.700 58.200 -0.004 0.000 0.991 408 S CB -0.380 62.820 63.200 -0.000 0.000 0.823 408 S HN 0.386 nan 8.310 nan 0.000 0.469 409 M N 1.774 121.374 119.600 -0.001 0.000 2.236 409 M HA 0.042 4.523 4.480 0.001 0.000 0.266 409 M C 1.482 177.778 176.300 -0.006 0.000 1.070 409 M CA 1.130 56.430 55.300 -0.000 0.000 1.137 409 M CB -1.377 31.225 32.600 0.003 0.000 1.378 409 M HN 0.265 nan 8.290 nan 0.000 0.426 410 D N 0.732 121.127 120.400 -0.009 0.000 2.097 410 D HA -0.125 4.516 4.640 0.001 0.000 0.195 410 D C 1.724 178.011 176.300 -0.021 0.000 0.989 410 D CA 1.087 55.078 54.000 -0.015 0.000 0.827 410 D CB -0.344 40.449 40.800 -0.012 0.000 0.966 410 D HN 0.261 nan 8.370 nan 0.000 0.456 411 N N -0.228 118.460 118.700 -0.021 0.000 2.142 411 N HA -0.076 4.665 4.740 0.001 0.000 0.186 411 N C 1.768 177.259 175.510 -0.032 0.000 1.023 411 N CA 0.972 54.004 53.050 -0.029 0.000 0.852 411 N CB -0.621 37.850 38.487 -0.027 0.000 0.998 411 N HN 0.132 nan 8.380 nan 0.000 0.424 412 T N 0.702 115.243 114.554 -0.022 0.000 2.746 412 T HA -0.100 4.251 4.350 0.001 0.000 0.267 412 T C 1.967 176.658 174.700 -0.016 0.000 1.039 412 T CA 0.908 62.997 62.100 -0.019 0.000 1.142 412 T CB 0.029 68.894 68.868 -0.006 0.000 0.866 412 T HN 0.241 nan 8.240 nan 0.000 0.444 413 R N 0.233 120.725 120.500 -0.014 0.000 2.096 413 R HA -0.046 4.295 4.340 0.001 0.000 0.235 413 R C 2.328 178.619 176.300 -0.015 0.000 1.127 413 R CA 1.036 57.130 56.100 -0.011 0.000 0.968 413 R CB -0.441 29.849 30.300 -0.016 0.000 0.861 413 R HN 0.256 nan 8.270 nan 0.000 0.440 414 L N 0.387 121.594 121.223 -0.026 0.000 2.046 414 L HA -0.070 4.271 4.340 0.001 0.000 0.208 414 L C 2.189 179.038 176.870 -0.034 0.000 1.077 414 L CA 2.157 56.978 54.840 -0.032 0.000 0.747 414 L CB -0.610 41.422 42.059 -0.045 0.000 0.896 414 L HN 0.233 nan 8.230 nan 0.000 0.432 415 A N -0.563 122.230 122.820 -0.045 0.000 1.930 415 A HA -0.133 4.187 4.320 0.001 0.000 0.217 415 A C 2.143 179.718 177.584 -0.015 0.000 1.175 415 A CA 1.624 53.627 52.037 -0.057 0.000 0.627 415 A CB -0.694 18.264 19.000 -0.069 0.000 0.815 415 A HN 0.417 nan 8.150 nan 0.000 0.443 416 I N 0.085 120.656 120.570 0.001 0.000 2.226 416 I HA -0.240 3.931 4.170 0.001 0.000 0.245 416 I C 2.923 179.068 176.117 0.047 0.000 1.100 416 I CA 1.432 62.747 61.300 0.025 0.000 1.374 416 I CB -1.568 36.445 38.000 0.021 0.000 1.057 416 I HN 0.368 nan 8.210 nan 0.000 0.413 417 A N 0.831 123.675 122.820 0.040 0.000 1.933 417 A HA -0.127 4.194 4.320 0.001 0.000 0.218 417 A C 2.561 180.212 177.584 0.112 0.000 1.175 417 A CA 1.982 54.055 52.037 0.060 0.000 0.628 417 A CB -0.699 18.325 19.000 0.041 0.000 0.814 417 A HN 0.420 nan 8.150 nan 0.000 0.444 418 A N -0.136 122.755 122.820 0.119 0.000 1.930 418 A HA -0.024 4.296 4.320 0.001 0.000 0.217 418 A C 2.099 179.918 177.584 0.391 0.000 1.175 418 A CA 1.387 53.578 52.037 0.257 0.000 0.627 418 A CB -0.561 18.442 19.000 0.005 0.000 0.815 418 A HN 0.493 nan 8.150 nan 0.000 0.443 419 I N -0.236 120.461 120.570 0.212 0.000 2.226 419 I HA -0.212 3.959 4.170 0.001 0.000 0.245 419 I C 2.706 178.918 176.117 0.159 0.000 1.100 419 I CA 1.165 62.584 61.300 0.198 0.000 1.374 419 I CB -0.645 37.424 38.000 0.114 0.000 1.057 419 I HN 0.396 nan 8.210 nan 0.000 0.413 420 G N 0.894 109.768 108.800 0.124 0.000 2.418 420 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 420 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 420 G C 1.658 176.617 174.900 0.097 0.000 1.158 420 G CA 1.021 46.176 45.100 0.093 0.000 0.771 420 G HN 0.201 nan 8.290 nan 0.000 0.545 421 K N 0.253 120.731 120.400 0.129 0.000 2.026 421 K HA -0.020 4.301 4.320 0.001 0.000 0.208 421 K C 2.313 178.926 176.600 0.021 0.000 1.048 421 K CA 1.080 57.435 56.287 0.112 0.000 0.929 421 K CB -0.751 31.843 32.500 0.156 0.000 0.713 421 K HN 0.248 nan 8.250 nan 0.000 0.439 422 L N 0.453 121.655 121.223 -0.035 0.000 2.017 422 L HA -0.079 4.262 4.340 0.001 0.000 0.208 422 L C 2.192 178.930 176.870 -0.220 0.000 1.073 422 L CA 1.842 56.544 54.840 -0.230 0.000 0.745 422 L CB -0.410 41.554 42.059 -0.158 0.000 0.894 422 L HN 0.308 nan 8.230 nan 0.000 0.432 423 M N -1.811 117.704 119.600 -0.143 0.000 2.108 423 M HA -0.250 4.231 4.480 0.001 0.000 0.261 423 M C 2.283 178.333 176.300 -0.415 0.000 1.066 423 M CA 2.047 57.150 55.300 -0.328 0.000 1.107 423 M CB -0.565 31.962 32.600 -0.122 0.000 1.356 423 M HN 0.398 nan 8.290 nan 0.000 0.406 424 F N 1.097 120.875 119.950 -0.286 0.000 2.102 424 F HA -0.173 4.355 4.527 0.002 0.000 0.298 424 F C 2.332 178.007 175.800 -0.209 0.000 1.105 424 F CA 1.677 59.542 58.000 -0.225 0.000 1.239 424 F CB -0.466 38.449 39.000 -0.142 0.000 0.991 424 F HN 0.057 nan 8.300 nan 0.000 0.474 425 A N 0.034 122.663 122.820 -0.318 0.000 1.902 425 A HA -0.209 4.112 4.320 0.001 0.000 0.217 425 A C 2.142 179.457 177.584 -0.450 0.000 1.181 425 A CA 1.766 53.566 52.037 -0.393 0.000 0.623 425 A CB -0.856 17.986 19.000 -0.263 0.000 0.818 425 A HN 0.616 nan 8.150 nan 0.000 0.443 426 Q N -1.758 117.681 119.800 -0.601 0.000 2.050 426 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 426 Q C 1.946 177.500 176.000 -0.743 0.000 0.980 426 Q CA 1.626 56.844 55.803 -0.975 0.000 0.840 426 Q CB -0.336 27.553 28.738 -1.416 0.000 0.898 426 Q HN 0.727 nan 8.270 nan 0.000 0.424 427 F N 1.286 120.674 119.950 -0.937 0.000 2.095 427 F HA -0.278 4.250 4.527 0.002 0.000 0.298 427 F C 2.305 177.906 175.800 -0.331 0.000 1.104 427 F CA 1.627 59.282 58.000 -0.575 0.000 1.232 427 F CB -0.107 38.554 39.000 -0.566 0.000 0.987 427 F HN -0.068 nan 8.300 nan 0.000 0.475 428 S N 0.018 115.572 115.700 -0.243 0.000 2.370 428 S HA -0.233 4.238 4.470 0.001 0.000 0.226 428 S C 1.804 176.354 174.600 -0.083 0.000 1.033 428 S CA 1.668 59.731 58.200 -0.227 0.000 1.011 428 S CB -0.453 62.468 63.200 -0.465 0.000 0.852 428 S HN 0.524 nan 8.310 nan 0.000 0.457 429 E N 0.505 120.688 120.200 -0.029 0.000 2.072 429 E HA -0.122 4.229 4.350 0.001 0.000 0.191 429 E C 2.090 178.763 176.600 0.122 0.000 0.985 429 E CA 0.847 57.346 56.400 0.165 0.000 0.801 429 E CB -0.235 29.610 29.700 0.241 0.000 0.750 429 E HN 0.273 nan 8.360 nan 0.000 0.452 430 L N 0.945 122.211 121.223 0.073 0.000 2.083 430 L HA -0.120 4.221 4.340 0.001 0.000 0.209 430 L C 2.196 178.958 176.870 -0.179 0.000 1.083 430 L CA 1.343 56.185 54.840 0.005 0.000 0.752 430 L CB -0.109 41.962 42.059 0.019 0.000 0.899 430 L HN 0.097 nan 8.230 nan 0.000 0.433 431 V N -2.803 116.954 119.914 -0.262 0.000 3.649 431 V HA 0.208 4.329 4.120 0.001 0.000 0.275 431 V C 0.764 176.783 176.094 -0.126 0.000 1.281 431 V CA -0.007 62.149 62.300 -0.239 0.000 1.143 431 V CB -1.001 30.658 31.823 -0.273 0.000 0.892 431 V HN 0.471 nan 8.190 nan 0.000 0.441 432 N N 2.817 121.459 118.700 -0.096 0.000 2.439 432 N HA 0.116 4.857 4.740 0.001 0.000 0.249 432 N C 0.759 176.202 175.510 -0.112 0.000 1.003 432 N CA 0.335 53.318 53.050 -0.113 0.000 0.942 432 N CB 1.517 39.872 38.487 -0.220 0.000 1.115 432 N HN 0.561 nan 8.380 nan 0.000 0.505 433 D N 2.982 123.328 120.400 -0.090 0.000 2.309 433 D HA -0.176 4.465 4.640 0.001 0.000 0.212 433 D C 1.092 177.240 176.300 -0.253 0.000 0.968 433 D CA 0.943 54.837 54.000 -0.178 0.000 0.882 433 D CB -0.269 40.401 40.800 -0.216 0.000 0.918 433 D HN 0.411 nan 8.370 nan 0.000 0.503 434 F N -0.293 119.506 119.950 -0.252 0.000 2.456 434 F HA -0.000 4.528 4.527 0.001 0.000 0.298 434 F C 1.280 177.085 175.800 0.008 0.000 1.104 434 F CA 0.460 58.343 58.000 -0.195 0.000 1.435 434 F CB -0.077 38.724 39.000 -0.332 0.000 1.078 434 F HN -0.070 nan 8.300 nan 0.000 0.546 435 Y N -1.253 119.110 120.300 0.104 0.000 2.445 435 Y HA 0.180 4.730 4.550 0.001 0.000 0.247 435 Y C 1.250 177.130 175.900 -0.033 0.000 1.129 435 Y CA -0.652 57.470 58.100 0.037 0.000 1.251 435 Y CB -1.040 37.438 38.460 0.030 0.000 1.176 435 Y HN 0.087 nan 8.280 nan 0.000 0.522 436 N N -0.659 118.066 118.700 0.041 0.000 2.238 436 N HA 0.002 4.743 4.740 0.001 0.000 0.222 436 N C -0.591 174.824 175.510 -0.158 0.000 1.133 436 N CA -0.040 52.969 53.050 -0.068 0.000 0.854 436 N CB -0.682 37.744 38.487 -0.101 0.000 1.041 436 N HN -0.094 nan 8.380 nan 0.000 0.510 437 N N 0.468 119.087 118.700 -0.135 0.000 2.714 437 N HA -0.154 4.586 4.740 0.001 0.000 0.253 437 N C 0.846 176.033 175.510 -0.539 0.000 1.024 437 N CA 1.417 54.366 53.050 -0.168 0.000 0.726 437 N CB -1.448 36.990 38.487 -0.082 0.000 0.908 437 N HN 0.794 nan 8.380 nan 0.000 0.542 438 G N -1.990 106.231 108.800 -0.966 0.000 2.195 438 G HA2 -0.289 3.672 3.960 0.001 0.000 0.224 438 G HA3 -0.289 3.672 3.960 0.001 0.000 0.224 438 G C 0.155 174.808 174.900 -0.412 0.000 0.990 438 G CA 0.164 44.466 45.100 -1.331 0.000 0.639 438 G HN 0.394 nan 8.290 nan 0.000 0.514 439 L N 1.940 122.998 121.223 -0.274 0.000 2.452 439 L HA 0.377 4.717 4.340 0.001 0.000 0.267 439 L C -1.593 175.124 176.870 -0.255 0.000 1.188 439 L CA -1.789 52.943 54.840 -0.181 0.000 0.821 439 L CB 0.421 42.360 42.059 -0.199 0.000 1.102 439 L HN -0.070 nan 8.230 nan 0.000 0.470 440 P HA -0.026 nan 4.420 nan 0.000 0.268 440 P C -0.444 176.704 177.300 -0.253 0.000 1.205 440 P CA -0.114 62.749 63.100 -0.395 0.000 0.771 440 P CB 0.688 32.031 31.700 -0.596 0.000 0.858 441 S N 3.163 118.754 115.700 -0.182 0.000 2.593 441 S HA -0.107 4.364 4.470 0.001 0.000 0.300 441 S C 0.707 175.243 174.600 -0.106 0.000 1.267 441 S CA 0.762 58.892 58.200 -0.116 0.000 1.065 441 S CB -1.278 61.883 63.200 -0.064 0.000 0.807 441 S HN 0.620 nan 8.310 nan 0.000 0.499 442 N N 1.917 120.581 118.700 -0.061 0.000 2.815 442 N HA -0.220 4.520 4.740 0.001 0.000 0.247 442 N C 0.205 175.719 175.510 0.006 0.000 1.030 442 N CA 0.648 53.707 53.050 0.015 0.000 0.881 442 N CB -1.688 36.846 38.487 0.078 0.000 1.134 442 N HN 0.724 nan 8.380 nan 0.000 0.582 443 L N -1.236 119.901 121.223 -0.142 0.000 3.737 443 L HA -0.256 4.085 4.340 0.001 0.000 0.418 443 L C 0.456 177.262 176.870 -0.107 0.000 1.216 443 L CA 0.452 55.174 54.840 -0.197 0.000 0.915 443 L CB -1.989 39.858 42.059 -0.354 0.000 1.834 443 L HN 0.445 nan 8.230 nan 0.000 0.943 444 S N 0.070 115.690 115.700 -0.133 0.000 2.558 444 S HA 0.284 4.755 4.470 0.001 0.000 0.293 444 S C 1.363 175.841 174.600 -0.203 0.000 1.292 444 S CA 0.588 58.702 58.200 -0.143 0.000 1.063 444 S CB 1.363 64.457 63.200 -0.177 0.000 0.831 444 S HN 0.443 nan 8.310 nan 0.000 0.499 445 G N 3.479 112.167 108.800 -0.188 0.000 2.784 445 G HA2 0.400 4.360 3.960 0.001 0.000 0.208 445 G HA3 0.400 4.360 3.960 0.001 0.000 0.208 445 G C 0.538 175.485 174.900 0.079 0.000 1.120 445 G CA 0.286 45.279 45.100 -0.179 0.000 0.774 445 G HN 0.921 nan 8.290 nan 0.000 0.528 446 G N -0.542 108.270 108.800 0.020 0.000 2.522 446 G HA2 0.422 4.383 3.960 0.001 0.000 0.304 446 G HA3 0.422 4.383 3.960 0.001 0.000 0.304 446 G C 0.664 175.598 174.900 0.057 0.000 1.210 446 G CA -0.693 44.448 45.100 0.068 0.000 0.960 446 G HN 0.145 nan 8.290 nan 0.000 0.497 447 R N -0.651 119.888 120.500 0.064 0.000 2.152 447 R HA -0.061 4.280 4.340 0.001 0.000 0.232 447 R C 0.354 176.682 176.300 0.047 0.000 1.117 447 R CA 0.851 56.986 56.100 0.059 0.000 0.981 447 R CB 0.079 30.411 30.300 0.053 0.000 0.870 447 R HN 0.396 nan 8.270 nan 0.000 0.451 448 N N 0.191 118.908 118.700 0.029 0.000 2.564 448 N HA 0.140 4.881 4.740 0.001 0.000 0.248 448 N C -2.258 173.241 175.510 -0.018 0.000 0.986 448 N CA -2.421 50.641 53.050 0.020 0.000 0.921 448 N CB 1.617 40.118 38.487 0.024 0.000 1.136 448 N HN -0.224 nan 8.380 nan 0.000 0.509 449 P HA -0.094 nan 4.420 nan 0.000 0.220 449 P C 1.112 178.288 177.300 -0.205 0.000 1.148 449 P CA 0.982 64.007 63.100 -0.125 0.000 0.803 449 P CB 0.208 31.851 31.700 -0.095 0.000 0.782 450 S N -1.217 114.428 115.700 -0.091 0.000 2.515 450 S HA -0.009 4.462 4.470 0.001 0.000 0.231 450 S C 1.258 175.880 174.600 0.036 0.000 0.987 450 S CA 0.637 58.809 58.200 -0.046 0.000 0.936 450 S CB -1.067 62.153 63.200 0.033 0.000 0.766 450 S HN 0.123 nan 8.310 nan 0.000 0.528 451 L N 1.211 122.438 121.223 0.008 0.000 3.110 451 L HA 0.491 4.832 4.340 0.001 0.000 0.266 451 L C -0.567 176.329 176.870 0.043 0.000 1.257 451 L CA -0.134 54.747 54.840 0.068 0.000 1.038 451 L CB 0.420 42.509 42.059 0.050 0.000 1.395 451 L HN 0.155 nan 8.230 nan 0.000 0.566 452 D N -0.713 119.656 120.400 -0.052 0.000 2.319 452 D HA 0.130 4.771 4.640 0.001 0.000 0.237 452 D C -0.420 175.772 176.300 -0.179 0.000 1.353 452 D CA -0.347 53.620 54.000 -0.054 0.000 0.992 452 D CB 0.775 41.532 40.800 -0.072 0.000 1.368 452 D HN -0.001 nan 8.370 nan 0.000 0.564 453 Y N 2.186 122.476 120.300 -0.016 0.000 2.532 453 Y HA 0.317 4.868 4.550 0.001 0.000 0.283 453 Y C 1.980 177.888 175.900 0.013 0.000 1.181 453 Y CA 0.377 58.477 58.100 -0.001 0.000 1.256 453 Y CB 0.632 39.093 38.460 0.001 0.000 1.112 453 Y HN 0.641 nan 8.280 nan 0.000 0.521 454 G N 1.111 109.957 108.800 0.077 0.000 2.660 454 G HA2 -0.402 3.559 3.960 0.001 0.000 0.321 454 G HA3 -0.402 3.559 3.960 0.001 0.000 0.321 454 G C 0.456 175.419 174.900 0.104 0.000 1.246 454 G CA 0.896 46.063 45.100 0.112 0.000 1.000 454 G HN 0.296 nan 8.290 nan 0.000 0.550 455 F N 2.406 122.402 119.950 0.075 0.000 2.645 455 F HA 0.344 4.872 4.527 0.001 0.000 0.300 455 F C 2.146 178.069 175.800 0.205 0.000 1.115 455 F CA 0.792 58.903 58.000 0.185 0.000 1.355 455 F CB 0.464 39.598 39.000 0.222 0.000 1.026 455 F HN 0.471 nan 8.300 nan 0.000 0.536 456 K N 0.605 121.158 120.400 0.255 0.000 2.032 456 K HA -0.132 4.189 4.320 0.001 0.000 0.209 456 K C 2.367 179.057 176.600 0.149 0.000 1.048 456 K CA 1.681 58.089 56.287 0.201 0.000 0.927 456 K CB -0.538 32.072 32.500 0.183 0.000 0.712 456 K HN 0.377 nan 8.250 nan 0.000 0.441 457 G N 0.248 109.107 108.800 0.099 0.000 2.402 457 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 457 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 457 G C 1.591 176.538 174.900 0.078 0.000 1.162 457 G CA 0.797 45.928 45.100 0.052 0.000 0.777 457 G HN 0.445 nan 8.290 nan 0.000 0.539 458 A N 0.656 123.577 122.820 0.167 0.000 1.940 458 A HA -0.064 4.257 4.320 0.001 0.000 0.219 458 A C 2.133 179.773 177.584 0.093 0.000 1.176 458 A CA 2.050 54.222 52.037 0.224 0.000 0.631 458 A CB -0.418 18.893 19.000 0.519 0.000 0.814 458 A HN 0.495 nan 8.150 nan 0.000 0.446 459 E N -0.201 120.154 120.200 0.257 0.000 2.072 459 E HA -0.160 4.191 4.350 0.001 0.000 0.191 459 E C 1.880 178.523 176.600 0.073 0.000 0.985 459 E CA 1.205 57.761 56.400 0.260 0.000 0.801 459 E CB -0.212 29.719 29.700 0.386 0.000 0.750 459 E HN 0.672 nan 8.360 nan 0.000 0.452 460 I N 1.109 121.705 120.570 0.043 0.000 2.163 460 I HA -0.281 3.890 4.170 0.001 0.000 0.243 460 I C 2.618 178.640 176.117 -0.158 0.000 1.085 460 I CA 1.124 62.410 61.300 -0.024 0.000 1.347 460 I CB -0.356 37.631 38.000 -0.022 0.000 1.044 460 I HN 0.173 nan 8.210 nan 0.000 0.408 461 A N 0.581 123.256 122.820 -0.243 0.000 1.908 461 A HA -0.227 4.094 4.320 0.001 0.000 0.218 461 A C 2.363 179.372 177.584 -0.957 0.000 1.181 461 A CA 1.542 53.237 52.037 -0.570 0.000 0.627 461 A CB -0.473 18.238 19.000 -0.482 0.000 0.818 461 A HN 0.296 nan 8.150 nan 0.000 0.445 462 M N -0.476 118.787 119.600 -0.561 0.000 2.117 462 M HA -0.152 4.329 4.480 0.001 0.000 0.262 462 M C 2.524 178.739 176.300 -0.142 0.000 1.065 462 M CA 1.606 56.701 55.300 -0.342 0.000 1.114 462 M CB -1.470 30.907 32.600 -0.371 0.000 1.361 462 M HN 0.508 nan 8.290 nan 0.000 0.408 463 A N 0.478 123.256 122.820 -0.070 0.000 1.902 463 A HA -0.172 4.149 4.320 0.001 0.000 0.217 463 A C 2.429 179.823 177.584 -0.317 0.000 1.181 463 A CA 2.513 54.380 52.037 -0.283 0.000 0.623 463 A CB -0.930 18.023 19.000 -0.078 0.000 0.818 463 A HN 0.614 nan 8.150 nan 0.000 0.443 464 S N -1.202 114.320 115.700 -0.296 0.000 2.368 464 S HA -0.190 4.281 4.470 0.001 0.000 0.224 464 S C 1.935 176.469 174.600 -0.109 0.000 1.029 464 S CA 1.530 59.593 58.200 -0.228 0.000 0.988 464 S CB -0.770 62.280 63.200 -0.251 0.000 0.838 464 S HN 0.516 nan 8.310 nan 0.000 0.462 465 Y N 1.223 121.452 120.300 -0.119 0.000 2.145 465 Y HA -0.023 4.528 4.550 0.001 0.000 0.286 465 Y C 3.270 179.101 175.900 -0.114 0.000 1.145 465 Y CA -0.285 57.754 58.100 -0.102 0.000 1.148 465 Y CB -1.661 36.741 38.460 -0.097 0.000 0.981 465 Y HN 0.513 nan 8.280 nan 0.000 0.507 466 C N -0.595 118.677 119.300 -0.047 0.000 2.432 466 C HA -0.155 4.306 4.460 0.001 0.000 0.277 466 C C 2.983 177.889 174.990 -0.141 0.000 1.249 466 C CA 1.635 60.560 59.018 -0.155 0.000 1.725 466 C CB -1.264 26.191 27.740 -0.474 0.000 2.028 466 C HN 0.546 nan 8.230 nan 0.000 0.477 467 S N -0.027 115.566 115.700 -0.179 0.000 2.359 467 S HA -0.227 4.243 4.470 0.001 0.000 0.224 467 S C 1.835 176.430 174.600 -0.007 0.000 1.035 467 S CA 1.886 60.022 58.200 -0.108 0.000 1.018 467 S CB -0.526 62.599 63.200 -0.124 0.000 0.876 467 S HN 0.809 nan 8.310 nan 0.000 0.448 468 E N 0.313 120.517 120.200 0.006 0.000 2.106 468 E HA -0.135 4.215 4.350 0.001 0.000 0.192 468 E C 1.994 178.675 176.600 0.135 0.000 0.984 468 E CA 0.679 57.118 56.400 0.065 0.000 0.806 468 E CB -0.099 29.623 29.700 0.037 0.000 0.750 468 E HN 0.223 nan 8.360 nan 0.000 0.458 469 L N 1.137 122.409 121.223 0.082 0.000 2.046 469 L HA -0.206 4.134 4.340 0.001 0.000 0.208 469 L C 2.205 179.118 176.870 0.072 0.000 1.077 469 L CA 1.665 56.550 54.840 0.074 0.000 0.747 469 L CB -0.505 41.583 42.059 0.048 0.000 0.896 469 L HN 0.173 nan 8.230 nan 0.000 0.432 470 Q N -1.611 118.227 119.800 0.062 0.000 2.119 470 Q HA -0.206 4.135 4.340 0.001 0.000 0.201 470 Q C 2.201 178.249 176.000 0.080 0.000 0.972 470 Q CA 1.570 57.405 55.803 0.054 0.000 0.847 470 Q CB -0.783 27.974 28.738 0.030 0.000 0.903 470 Q HN 0.558 nan 8.270 nan 0.000 0.433 471 F N 1.195 121.135 119.950 -0.017 0.000 2.102 471 F HA -0.148 4.380 4.527 0.001 0.000 0.298 471 F C 1.841 177.637 175.800 -0.006 0.000 1.105 471 F CA 1.093 59.085 58.000 -0.012 0.000 1.239 471 F CB -0.202 38.788 39.000 -0.018 0.000 0.991 471 F HN -0.028 nan 8.300 nan 0.000 0.474 472 L N 0.192 121.428 121.223 0.021 0.000 2.275 472 L HA -0.127 4.214 4.340 0.001 0.000 0.215 472 L C 2.690 179.483 176.870 -0.128 0.000 1.119 472 L CA 0.787 55.574 54.840 -0.087 0.000 0.790 472 L CB -1.053 41.049 42.059 0.071 0.000 0.919 472 L HN 0.297 nan 8.230 nan 0.000 0.443 473 A N -0.445 122.325 122.820 -0.083 0.000 2.125 473 A HA -0.108 4.213 4.320 0.001 0.000 0.219 473 A C 0.985 178.514 177.584 -0.092 0.000 1.156 473 A CA 0.657 52.656 52.037 -0.063 0.000 0.671 473 A CB -0.594 18.390 19.000 -0.026 0.000 0.794 473 A HN 0.394 nan 8.150 nan 0.000 0.459 474 N N 1.036 119.640 118.700 -0.159 0.000 2.441 474 N HA 0.184 4.925 4.740 0.001 0.000 0.251 474 N C -2.579 172.877 175.510 -0.090 0.000 1.242 474 N CA -0.980 51.989 53.050 -0.134 0.000 0.898 474 N CB 0.110 38.479 38.487 -0.197 0.000 1.100 474 N HN 0.267 nan 8.380 nan 0.000 0.443 475 P HA 0.083 nan 4.420 nan 0.000 0.274 475 P C 0.424 177.766 177.300 0.071 0.000 1.237 475 P CA -0.276 62.826 63.100 0.003 0.000 0.793 475 P CB 1.060 32.759 31.700 -0.002 0.000 0.977 476 V N 1.075 121.027 119.914 0.063 0.000 2.949 476 V HA -0.076 4.045 4.120 0.001 0.000 0.245 476 V C 2.361 178.554 176.094 0.165 0.000 1.086 476 V CA 2.106 64.474 62.300 0.113 0.000 1.097 476 V CB -1.129 30.710 31.823 0.026 0.000 0.762 476 V HN 0.688 nan 8.190 nan 0.000 0.470 477 T N -0.605 113.993 114.554 0.072 0.000 3.118 477 T HA -0.069 4.282 4.350 0.001 0.000 0.260 477 T C 1.207 175.907 174.700 -0.001 0.000 1.139 477 T CA 0.873 62.995 62.100 0.037 0.000 1.085 477 T CB -0.553 68.323 68.868 0.012 0.000 0.934 477 T HN 0.584 nan 8.240 nan 0.000 0.518 478 N N 0.719 119.388 118.700 -0.052 0.000 2.313 478 N HA -0.002 4.739 4.740 0.001 0.000 0.207 478 N C -0.190 175.084 175.510 -0.393 0.000 1.141 478 N CA -0.070 52.859 53.050 -0.201 0.000 0.830 478 N CB -0.598 37.739 38.487 -0.251 0.000 1.008 478 N HN 0.539 nan 8.380 nan 0.000 0.481 479 H N -0.764 118.299 119.070 -0.011 0.000 2.492 479 H HA 0.343 4.899 4.556 0.001 0.000 0.264 479 H C -0.440 174.888 175.328 0.001 0.000 1.150 479 H CA -0.528 55.516 56.048 -0.007 0.000 0.962 479 H CB 0.583 30.338 29.762 -0.011 0.000 1.766 479 H HN -0.077 nan 8.280 nan 0.000 0.589 480 V N 2.450 122.399 119.914 0.058 0.000 2.521 480 V HA 0.008 4.129 4.120 0.001 0.000 0.286 480 V C 0.310 176.435 176.094 0.051 0.000 1.034 480 V CA -0.203 62.128 62.300 0.052 0.000 1.045 480 V CB 0.773 32.615 31.823 0.031 0.000 0.974 480 V HN 0.428 nan 8.190 nan 0.000 0.480 481 Q N 2.417 122.252 119.800 0.058 0.000 2.214 481 Q HA 0.334 4.675 4.340 0.001 0.000 0.251 481 Q C 0.161 176.206 176.000 0.075 0.000 0.936 481 Q CA -0.320 55.521 55.803 0.062 0.000 0.894 481 Q CB 1.563 30.335 28.738 0.057 0.000 1.252 481 Q HN 0.679 nan 8.270 nan 0.000 0.448 482 S N 0.609 116.375 115.700 0.110 0.000 2.430 482 S HA 0.486 4.957 4.470 0.001 0.000 0.282 482 S C -0.668 174.035 174.600 0.172 0.000 1.186 482 S CA -0.295 58.014 58.200 0.180 0.000 1.060 482 S CB -0.304 63.042 63.200 0.244 0.000 0.966 482 S HN 0.570 nan 8.310 nan 0.000 0.501 483 A N 3.663 126.531 122.820 0.080 0.000 2.350 483 A HA 0.748 5.069 4.320 0.001 0.000 0.318 483 A C 0.205 177.756 177.584 -0.054 0.000 1.132 483 A CA -0.649 51.385 52.037 -0.006 0.000 0.811 483 A CB 0.528 19.533 19.000 0.007 0.000 1.313 483 A HN 0.934 nan 8.150 nan 0.000 0.454 484 E N 0.441 120.589 120.200 -0.087 0.000 2.302 484 E HA -0.210 4.140 4.350 0.001 0.000 0.186 484 E C -0.499 176.033 176.600 -0.113 0.000 1.444 484 E CA 0.881 57.232 56.400 -0.083 0.000 0.671 484 E CB -1.336 28.335 29.700 -0.048 0.000 1.122 484 E HN 0.814 nan 8.360 nan 0.000 0.366 485 Q N 0.263 119.940 119.800 -0.205 0.000 2.435 485 Q HA -0.272 4.069 4.340 0.001 0.000 0.286 485 Q C -0.108 175.790 176.000 -0.170 0.000 1.229 485 Q CA 1.129 56.790 55.803 -0.236 0.000 0.884 485 Q CB -1.230 27.450 28.738 -0.096 0.000 1.245 485 Q HN 0.735 nan 8.270 nan 0.000 0.488 486 H N -3.613 115.461 119.070 0.007 0.000 3.047 486 H HA -0.206 4.352 4.556 0.002 0.000 0.263 486 H C 1.296 176.633 175.328 0.015 0.000 1.168 486 H CA 1.313 57.367 56.048 0.011 0.000 1.152 486 H CB -1.549 28.218 29.762 0.010 0.000 1.278 486 H HN 0.587 nan 8.280 nan 0.000 0.339 487 N N 1.190 119.932 118.700 0.071 0.000 2.171 487 N HA -0.088 4.653 4.740 0.001 0.000 0.184 487 N C 0.703 176.251 175.510 0.063 0.000 1.021 487 N CA 1.320 54.404 53.050 0.058 0.000 0.854 487 N CB 0.195 38.695 38.487 0.022 0.000 0.994 487 N HN 0.535 nan 8.380 nan 0.000 0.426 488 Q N 0.708 120.537 119.800 0.049 0.000 3.150 488 Q HA 0.061 4.402 4.340 0.001 0.000 0.297 488 Q C -0.423 175.622 176.000 0.076 0.000 1.382 488 Q CA -0.215 55.622 55.803 0.057 0.000 1.059 488 Q CB 0.382 29.135 28.738 0.025 0.000 1.559 488 Q HN 0.505 nan 8.270 nan 0.000 0.548 489 D N -0.593 119.859 120.400 0.087 0.000 2.347 489 D HA -0.057 4.584 4.640 0.001 0.000 0.215 489 D C 0.723 177.060 176.300 0.062 0.000 0.976 489 D CA 0.260 54.312 54.000 0.086 0.000 0.884 489 D CB 0.156 41.004 40.800 0.079 0.000 0.915 489 D HN 0.207 nan 8.370 nan 0.000 0.526 490 V N -1.166 118.784 119.914 0.061 0.000 2.823 490 V HA 0.796 4.916 4.120 0.001 0.000 0.312 490 V C -1.253 174.880 176.094 0.064 0.000 1.072 490 V CA -1.152 61.179 62.300 0.052 0.000 0.937 490 V CB 1.576 33.423 31.823 0.040 0.000 1.013 490 V HN 0.260 nan 8.190 nan 0.000 0.430 491 N N 0.574 119.307 118.700 0.055 0.000 2.504 491 N HA 0.431 5.172 4.740 0.001 0.000 0.268 491 N C 0.243 175.781 175.510 0.046 0.000 1.184 491 N CA -0.188 52.898 53.050 0.060 0.000 0.875 491 N CB 1.755 40.274 38.487 0.054 0.000 1.630 491 N HN 0.709 nan 8.380 nan 0.000 0.486 492 S N 1.146 116.873 115.700 0.046 0.000 2.436 492 S HA 0.025 4.496 4.470 0.001 0.000 0.228 492 S C 0.903 175.519 174.600 0.027 0.000 1.014 492 S CA 0.368 58.587 58.200 0.032 0.000 0.950 492 S CB -0.735 62.482 63.200 0.029 0.000 0.784 492 S HN 0.662 nan 8.310 nan 0.000 0.504 493 L N 0.301 121.542 121.223 0.029 0.000 4.001 493 L HA -0.222 4.119 4.340 0.001 0.000 0.413 493 L C 1.611 178.490 176.870 0.016 0.000 1.185 493 L CA -0.013 54.841 54.840 0.023 0.000 0.963 493 L CB -2.391 39.687 42.059 0.032 0.000 1.976 493 L HN 0.522 nan 8.230 nan 0.000 0.939 494 G N 0.401 109.211 108.800 0.015 0.000 2.459 494 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 494 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 494 G C 1.211 176.115 174.900 0.007 0.000 1.183 494 G CA 1.063 46.170 45.100 0.011 0.000 0.776 494 G HN 0.320 nan 8.290 nan 0.000 0.552 495 L N 0.854 122.080 121.223 0.004 0.000 2.046 495 L HA 0.038 4.379 4.340 0.001 0.000 0.208 495 L C 2.724 179.591 176.870 -0.005 0.000 1.077 495 L CA 1.358 56.198 54.840 -0.001 0.000 0.747 495 L CB -0.449 41.606 42.059 -0.006 0.000 0.896 495 L HN 0.312 nan 8.230 nan 0.000 0.432 496 I N -1.277 119.289 120.570 -0.006 0.000 2.163 496 I HA -0.344 3.827 4.170 0.001 0.000 0.243 496 I C 2.689 178.801 176.117 -0.009 0.000 1.085 496 I CA 1.625 62.918 61.300 -0.011 0.000 1.347 496 I CB -0.637 37.356 38.000 -0.013 0.000 1.044 496 I HN 0.329 nan 8.210 nan 0.000 0.408 497 S N 0.073 115.771 115.700 -0.003 0.000 2.356 497 S HA -0.192 4.279 4.470 0.001 0.000 0.223 497 S C 2.267 176.867 174.600 -0.001 0.000 1.032 497 S CA 1.966 60.164 58.200 -0.003 0.000 1.005 497 S CB -0.203 62.998 63.200 0.002 0.000 0.867 497 S HN 0.414 nan 8.310 nan 0.000 0.449 498 S N 1.239 116.940 115.700 0.003 0.000 2.374 498 S HA -0.117 4.354 4.470 0.001 0.000 0.227 498 S C 1.931 176.536 174.600 0.007 0.000 1.037 498 S CA 1.321 59.526 58.200 0.007 0.000 1.024 498 S CB -0.354 62.852 63.200 0.009 0.000 0.861 498 S HN 0.507 nan 8.310 nan 0.000 0.456 499 R N 0.891 121.392 120.500 0.002 0.000 2.081 499 R HA -0.007 4.334 4.340 0.001 0.000 0.235 499 R C 2.224 178.528 176.300 0.007 0.000 1.131 499 R CA 1.007 57.108 56.100 0.002 0.000 0.960 499 R CB -0.119 30.177 30.300 -0.007 0.000 0.856 499 R HN 0.175 nan 8.270 nan 0.000 0.436 500 K N -0.123 120.278 120.400 0.002 0.000 2.097 500 K HA -0.038 4.283 4.320 0.001 0.000 0.205 500 K C 2.037 178.643 176.600 0.010 0.000 1.050 500 K CA 1.489 57.779 56.287 0.005 0.000 0.938 500 K CB -0.494 31.997 32.500 -0.015 0.000 0.718 500 K HN 0.167 nan 8.250 nan 0.000 0.442 501 T N 0.922 115.480 114.554 0.007 0.000 2.821 501 T HA -0.109 4.242 4.350 0.001 0.000 0.267 501 T C 2.042 176.755 174.700 0.021 0.000 1.046 501 T CA 1.564 63.671 62.100 0.012 0.000 1.139 501 T CB -0.223 68.651 68.868 0.011 0.000 0.871 501 T HN 0.247 nan 8.240 nan 0.000 0.454 502 S N 0.806 116.519 115.700 0.023 0.000 2.368 502 S HA -0.175 4.296 4.470 0.001 0.000 0.225 502 S C 2.121 176.740 174.600 0.031 0.000 1.030 502 S CA 1.655 59.873 58.200 0.028 0.000 0.999 502 S CB -0.305 62.910 63.200 0.025 0.000 0.844 502 S HN 0.622 nan 8.310 nan 0.000 0.459 503 E N 0.225 120.442 120.200 0.029 0.000 2.077 503 E HA -0.121 4.229 4.350 0.001 0.000 0.193 503 E C 2.122 178.743 176.600 0.035 0.000 0.989 503 E CA 1.019 57.439 56.400 0.033 0.000 0.800 503 E CB -0.382 29.341 29.700 0.039 0.000 0.746 503 E HN 0.611 nan 8.360 nan 0.000 0.452 504 A N 0.456 123.296 122.820 0.034 0.000 1.902 504 A HA -0.142 4.179 4.320 0.001 0.000 0.217 504 A C 2.396 179.997 177.584 0.029 0.000 1.181 504 A CA 1.426 53.482 52.037 0.032 0.000 0.623 504 A CB -0.653 18.363 19.000 0.027 0.000 0.818 504 A HN 0.232 nan 8.150 nan 0.000 0.443 505 V N 0.277 120.210 119.914 0.031 0.000 2.407 505 V HA -0.200 3.921 4.120 0.001 0.000 0.248 505 V C 2.562 178.680 176.094 0.039 0.000 1.055 505 V CA 2.083 64.403 62.300 0.034 0.000 1.049 505 V CB -0.668 31.177 31.823 0.036 0.000 0.662 505 V HN 0.507 nan 8.190 nan 0.000 0.455 506 E N 0.021 120.249 120.200 0.046 0.000 2.077 506 E HA -0.151 4.199 4.350 0.001 0.000 0.193 506 E C 2.135 178.760 176.600 0.041 0.000 0.989 506 E CA 1.312 57.757 56.400 0.076 0.000 0.800 506 E CB -0.277 29.472 29.700 0.082 0.000 0.746 506 E HN 0.582 nan 8.360 nan 0.000 0.452 507 I N 0.588 121.148 120.570 -0.017 0.000 2.315 507 I HA -0.245 3.926 4.170 0.001 0.000 0.248 507 I C 2.418 178.477 176.117 -0.097 0.000 1.117 507 I CA 0.461 61.696 61.300 -0.108 0.000 1.404 507 I CB -0.190 37.778 38.000 -0.053 0.000 1.071 507 I HN 0.073 nan 8.210 nan 0.000 0.419 508 L N 1.074 122.290 121.223 -0.013 0.000 2.131 508 L HA -0.186 4.155 4.340 0.001 0.000 0.210 508 L C 2.332 179.219 176.870 0.028 0.000 1.092 508 L CA 1.863 56.712 54.840 0.015 0.000 0.759 508 L CB -0.542 41.539 42.059 0.037 0.000 0.903 508 L HN 0.075 nan 8.230 nan 0.000 0.435 509 K N -0.879 119.554 120.400 0.055 0.000 2.097 509 K HA -0.096 4.225 4.320 0.001 0.000 0.205 509 K C 2.013 178.716 176.600 0.172 0.000 1.050 509 K CA 1.428 57.788 56.287 0.121 0.000 0.938 509 K CB -0.257 32.324 32.500 0.135 0.000 0.718 509 K HN 0.323 nan 8.250 nan 0.000 0.442 510 L N 0.510 121.741 121.223 0.013 0.000 2.042 510 L HA -0.202 4.138 4.340 0.001 0.000 0.210 510 L C 2.534 179.253 176.870 -0.253 0.000 1.076 510 L CA 1.335 55.992 54.840 -0.306 0.000 0.749 510 L CB -0.462 41.044 42.059 -0.921 0.000 0.893 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 M N -0.961 118.537 119.600 -0.170 0.000 2.132 511 M HA -0.161 4.320 4.480 0.001 0.000 0.263 511 M C 2.514 178.859 176.300 0.075 0.000 1.065 511 M CA 1.537 56.838 55.300 0.002 0.000 1.122 511 M CB -0.363 32.263 32.600 0.044 0.000 1.365 511 M HN 0.153 nan 8.290 nan 0.000 0.411 512 S N -0.038 115.721 115.700 0.099 0.000 2.368 512 S HA -0.114 4.357 4.470 0.001 0.000 0.224 512 S C 1.954 176.643 174.600 0.149 0.000 1.029 512 S CA 1.697 59.995 58.200 0.163 0.000 0.988 512 S CB -0.400 62.874 63.200 0.123 0.000 0.838 512 S HN 0.462 nan 8.310 nan 0.000 0.462 513 T N 2.015 116.637 114.554 0.113 0.000 2.652 513 T HA -0.107 4.244 4.350 0.001 0.000 0.267 513 T C 2.080 176.782 174.700 0.003 0.000 1.039 513 T CA 1.851 64.015 62.100 0.107 0.000 1.153 513 T CB -0.714 68.256 68.868 0.169 0.000 0.863 513 T HN 0.432 nan 8.240 nan 0.000 0.428 514 T N 1.886 116.339 114.554 -0.169 0.000 2.708 514 T HA -0.039 4.312 4.350 0.001 0.000 0.266 514 T C 1.567 176.365 174.700 0.164 0.000 1.037 514 T CA 0.878 62.720 62.100 -0.430 0.000 1.146 514 T CB -0.451 68.124 68.868 -0.489 0.000 0.865 514 T HN 0.269 nan 8.240 nan 0.000 0.435 515 F N 1.886 121.887 119.950 0.084 0.000 2.134 515 F HA 0.032 4.560 4.527 0.001 0.000 0.299 515 F C 1.961 177.877 175.800 0.194 0.000 1.097 515 F CA 0.350 58.513 58.000 0.272 0.000 1.264 515 F CB -0.932 38.177 39.000 0.181 0.000 1.001 515 F HN 0.038 nan 8.300 nan 0.000 0.479 516 L N -0.091 121.190 121.223 0.097 0.000 2.046 516 L HA -0.138 4.202 4.340 0.001 0.000 0.208 516 L C 2.279 179.209 176.870 0.099 0.000 1.077 516 L CA 1.614 56.449 54.840 -0.009 0.000 0.747 516 L CB -1.086 41.007 42.059 0.057 0.000 0.896 516 L HN 0.015 nan 8.230 nan 0.000 0.432 517 V N 0.054 120.108 119.914 0.233 0.000 2.407 517 V HA -0.201 3.920 4.120 0.001 0.000 0.248 517 V C 2.626 178.934 176.094 0.356 0.000 1.055 517 V CA 1.685 64.202 62.300 0.362 0.000 1.049 517 V CB -1.611 30.575 31.823 0.605 0.000 0.662 517 V HN 0.633 nan 8.190 nan 0.000 0.455 518 G N -0.168 108.814 108.800 0.304 0.000 2.440 518 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 518 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 518 G C 1.598 176.386 174.900 -0.188 0.000 1.154 518 G CA 1.016 45.980 45.100 -0.226 0.000 0.767 518 G HN 0.470 nan 8.290 nan 0.000 0.552 519 L N -0.047 121.124 121.223 -0.088 0.000 2.046 519 L HA -0.110 4.231 4.340 0.001 0.000 0.208 519 L C 3.018 179.899 176.870 0.018 0.000 1.077 519 L CA 0.802 55.583 54.840 -0.098 0.000 0.747 519 L CB -0.430 41.508 42.059 -0.203 0.000 0.896 519 L HN 0.262 nan 8.230 nan 0.000 0.432 520 C N -0.967 118.400 119.300 0.111 0.000 2.440 520 C HA -0.157 4.304 4.460 0.001 0.000 0.278 520 C C 2.835 177.989 174.990 0.275 0.000 1.295 520 C CA 0.634 59.815 59.018 0.273 0.000 1.738 520 C CB -0.560 27.316 27.740 0.226 0.000 1.987 520 C HN 0.534 nan 8.230 nan 0.000 0.492 521 Q N 1.633 121.533 119.800 0.167 0.000 2.061 521 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 521 Q C 2.190 178.239 176.000 0.083 0.000 0.984 521 Q CA 2.369 58.255 55.803 0.139 0.000 0.846 521 Q CB -0.377 28.367 28.738 0.009 0.000 0.902 521 Q HN 0.599 nan 8.270 nan 0.000 0.421 522 A N 0.066 122.864 122.820 -0.036 0.000 1.933 522 A HA -0.135 4.186 4.320 0.001 0.000 0.218 522 A C 2.100 179.687 177.584 0.006 0.000 1.175 522 A CA 1.378 53.377 52.037 -0.064 0.000 0.628 522 A CB -0.718 18.202 19.000 -0.132 0.000 0.814 522 A HN 0.504 nan 8.150 nan 0.000 0.444 523 I N 0.001 120.599 120.570 0.045 0.000 2.163 523 I HA -0.277 3.894 4.170 0.001 0.000 0.243 523 I C 1.854 178.062 176.117 0.153 0.000 1.085 523 I CA 1.672 63.007 61.300 0.058 0.000 1.347 523 I CB -0.384 37.636 38.000 0.033 0.000 1.044 523 I HN 0.249 nan 8.210 nan 0.000 0.408 524 D N 0.544 121.096 120.400 0.253 0.000 2.178 524 D HA -0.112 4.528 4.640 0.001 0.000 0.202 524 D C 2.314 178.785 176.300 0.286 0.000 0.974 524 D CA 1.140 55.328 54.000 0.312 0.000 0.841 524 D CB -0.174 40.881 40.800 0.425 0.000 0.953 524 D HN 0.304 nan 8.370 nan 0.000 0.478 525 L N 0.394 121.775 121.223 0.263 0.000 2.093 525 L HA -0.097 4.244 4.340 0.001 0.000 0.208 525 L C 2.475 179.517 176.870 0.287 0.000 1.085 525 L CA 0.737 55.721 54.840 0.240 0.000 0.755 525 L CB -0.119 41.962 42.059 0.037 0.000 0.904 525 L HN -0.113 nan 8.230 nan 0.000 0.435 526 R N -0.710 119.911 120.500 0.201 0.000 2.096 526 R HA -0.190 4.151 4.340 0.001 0.000 0.235 526 R C 2.199 178.633 176.300 0.223 0.000 1.127 526 R CA 1.326 57.541 56.100 0.192 0.000 0.968 526 R CB -0.960 29.430 30.300 0.151 0.000 0.861 526 R HN 0.422 nan 8.270 nan 0.000 0.440 527 H N 0.855 119.994 119.070 0.115 0.000 2.357 527 H HA -0.075 4.482 4.556 0.001 0.000 0.301 527 H C 1.812 177.170 175.328 0.049 0.000 1.082 527 H CA 1.541 57.626 56.048 0.062 0.000 1.342 527 H CB -0.342 29.442 29.762 0.037 0.000 1.389 527 H HN 0.073 nan 8.280 nan 0.000 0.511 528 L N 0.880 122.087 121.223 -0.026 0.000 2.046 528 L HA -0.103 4.238 4.340 0.001 0.000 0.208 528 L C 2.443 179.277 176.870 -0.060 0.000 1.077 528 L CA 2.313 57.111 54.840 -0.071 0.000 0.747 528 L CB -0.887 41.238 42.059 0.109 0.000 0.896 528 L HN 0.508 nan 8.230 nan 0.000 0.432 529 E N -0.535 119.662 120.200 -0.005 0.000 2.038 529 E HA -0.333 4.018 4.350 0.001 0.000 0.195 529 E C 2.137 178.650 176.600 -0.145 0.000 1.000 529 E CA 1.708 57.969 56.400 -0.232 0.000 0.803 529 E CB -0.205 29.421 29.700 -0.122 0.000 0.750 529 E HN 0.700 nan 8.360 nan 0.000 0.448 530 E N 0.026 120.204 120.200 -0.036 0.000 2.077 530 E HA -0.197 4.154 4.350 0.001 0.000 0.193 530 E C 1.993 178.569 176.600 -0.039 0.000 0.989 530 E CA 1.209 57.603 56.400 -0.010 0.000 0.800 530 E CB 0.001 29.728 29.700 0.045 0.000 0.746 530 E HN 0.266 nan 8.360 nan 0.000 0.452 531 N N 0.298 118.956 118.700 -0.070 0.000 2.142 531 N HA -0.124 4.616 4.740 0.001 0.000 0.186 531 N C 2.030 177.490 175.510 -0.085 0.000 1.023 531 N CA 1.073 54.072 53.050 -0.085 0.000 0.852 531 N CB -0.056 38.339 38.487 -0.152 0.000 0.998 531 N HN 0.265 nan 8.380 nan 0.000 0.424 532 L N 1.225 122.379 121.223 -0.117 0.000 2.156 532 L HA -0.077 4.264 4.340 0.001 0.000 0.208 532 L C 2.548 179.363 176.870 -0.091 0.000 1.095 532 L CA 0.822 55.594 54.840 -0.113 0.000 0.770 532 L CB -0.337 41.623 42.059 -0.165 0.000 0.914 532 L HN 0.140 nan 8.230 nan 0.000 0.439 533 K N -0.017 120.321 120.400 -0.103 0.000 2.057 533 K HA -0.212 4.108 4.320 0.001 0.000 0.207 533 K C 2.404 178.995 176.600 -0.014 0.000 1.049 533 K CA 1.676 57.934 56.287 -0.048 0.000 0.931 533 K CB -0.035 32.440 32.500 -0.042 0.000 0.714 533 K HN 0.082 nan 8.250 nan 0.000 0.440 534 S N -0.260 115.427 115.700 -0.021 0.000 2.370 534 S HA -0.133 4.338 4.470 0.001 0.000 0.226 534 S C 1.760 176.355 174.600 -0.008 0.000 1.033 534 S CA 2.040 60.234 58.200 -0.011 0.000 1.011 534 S CB -0.381 62.811 63.200 -0.013 0.000 0.852 534 S HN 0.453 nan 8.310 nan 0.000 0.457 535 T N 1.496 116.041 114.554 -0.015 0.000 2.821 535 T HA -0.031 4.320 4.350 0.001 0.000 0.267 535 T C 1.830 176.531 174.700 0.002 0.000 1.046 535 T CA 1.399 63.493 62.100 -0.011 0.000 1.139 535 T CB -0.383 68.474 68.868 -0.019 0.000 0.871 535 T HN 0.273 nan 8.240 nan 0.000 0.454 536 V N 1.511 121.434 119.914 0.016 0.000 2.307 536 V HA -0.168 3.953 4.120 0.001 0.000 0.245 536 V C 2.490 178.601 176.094 0.029 0.000 1.045 536 V CA 1.510 63.835 62.300 0.041 0.000 1.024 536 V CB -0.477 31.408 31.823 0.103 0.000 0.651 536 V HN 0.453 nan 8.190 nan 0.000 0.449 537 K N 0.216 120.631 120.400 0.024 0.000 2.032 537 K HA -0.212 4.109 4.320 0.001 0.000 0.209 537 K C 2.091 178.699 176.600 0.012 0.000 1.048 537 K CA 1.772 58.070 56.287 0.017 0.000 0.927 537 K CB -0.402 32.105 32.500 0.012 0.000 0.712 537 K HN 0.430 nan 8.250 nan 0.000 0.441 538 N N 0.281 118.985 118.700 0.006 0.000 2.104 538 N HA -0.124 4.617 4.740 0.001 0.000 0.190 538 N C 1.806 177.316 175.510 0.000 0.000 1.024 538 N CA 1.653 54.703 53.050 0.001 0.000 0.853 538 N CB -0.629 37.855 38.487 -0.004 0.000 1.008 538 N HN 0.196 nan 8.380 nan 0.000 0.424 539 T N 0.717 115.269 114.554 -0.002 0.000 2.812 539 T HA 0.009 4.360 4.350 0.001 0.000 0.264 539 T C 2.181 176.875 174.700 -0.011 0.000 1.042 539 T CA 0.562 62.654 62.100 -0.014 0.000 1.140 539 T CB -0.288 68.567 68.868 -0.021 0.000 0.870 539 T HN -0.036 nan 8.240 nan 0.000 0.445 540 V N 1.448 121.370 119.914 0.014 0.000 2.407 540 V HA -0.162 3.959 4.120 0.001 0.000 0.248 540 V C 2.723 178.871 176.094 0.090 0.000 1.055 540 V CA 1.842 64.181 62.300 0.065 0.000 1.049 540 V CB -0.700 31.179 31.823 0.093 0.000 0.662 540 V HN 0.492 nan 8.190 nan 0.000 0.455 541 S N -0.462 115.265 115.700 0.045 0.000 2.348 541 S HA -0.206 4.265 4.470 0.001 0.000 0.221 541 S C 2.293 176.912 174.600 0.031 0.000 1.033 541 S CA 2.109 60.329 58.200 0.032 0.000 1.010 541 S CB -0.291 62.916 63.200 0.011 0.000 0.891 541 S HN 0.603 nan 8.310 nan 0.000 0.442 542 S N 0.551 116.260 115.700 0.015 0.000 2.359 542 S HA -0.085 4.386 4.470 0.001 0.000 0.224 542 S C 1.901 176.508 174.600 0.011 0.000 1.035 542 S CA 1.506 59.709 58.200 0.005 0.000 1.018 542 S CB -0.524 62.671 63.200 -0.009 0.000 0.876 542 S HN 0.420 nan 8.310 nan 0.000 0.448 543 V N 1.825 121.742 119.914 0.006 0.000 2.307 543 V HA -0.158 3.963 4.120 0.001 0.000 0.245 543 V C 2.630 178.792 176.094 0.113 0.000 1.045 543 V CA 1.629 63.923 62.300 -0.011 0.000 1.024 543 V CB -1.213 30.506 31.823 -0.173 0.000 0.651 543 V HN 0.534 nan 8.190 nan 0.000 0.449 544 A N -0.056 122.902 122.820 0.229 0.000 1.940 544 A HA -0.306 4.015 4.320 0.001 0.000 0.219 544 A C 2.256 179.896 177.584 0.093 0.000 1.176 544 A CA 2.432 54.608 52.037 0.232 0.000 0.631 544 A CB -0.500 18.587 19.000 0.145 0.000 0.814 544 A HN 0.519 nan 8.150 nan 0.000 0.446 545 K N -0.529 119.904 120.400 0.055 0.000 2.057 545 K HA -0.078 4.242 4.320 0.001 0.000 0.207 545 K C 2.316 178.933 176.600 0.027 0.000 1.049 545 K CA 1.455 57.756 56.287 0.024 0.000 0.931 545 K CB -0.188 32.319 32.500 0.011 0.000 0.714 545 K HN 0.401 nan 8.250 nan 0.000 0.440 546 R N -0.397 120.122 120.500 0.031 0.000 2.066 546 R HA -0.055 4.286 4.340 0.001 0.000 0.232 546 R C 2.069 178.390 176.300 0.035 0.000 1.131 546 R CA 1.556 57.670 56.100 0.023 0.000 0.955 546 R CB -0.068 30.238 30.300 0.010 0.000 0.851 546 R HN 0.085 nan 8.270 nan 0.000 0.432 547 V N 0.856 120.808 119.914 0.063 0.000 2.535 547 V HA -0.085 4.036 4.120 0.001 0.000 0.246 547 V C 1.835 177.968 176.094 0.065 0.000 1.045 547 V CA 1.081 63.427 62.300 0.078 0.000 1.058 547 V CB -0.086 31.825 31.823 0.147 0.000 0.689 547 V HN 0.275 nan 8.190 nan 0.000 0.461 548 L N 0.637 121.895 121.223 0.058 0.000 2.645 548 L HA 0.187 4.528 4.340 0.001 0.000 0.234 548 L C 0.750 177.634 176.870 0.024 0.000 1.165 548 L CA 0.395 55.249 54.840 0.024 0.000 0.944 548 L CB -0.303 41.746 42.059 -0.017 0.000 1.149 548 L HN 0.400 nan 8.230 nan 0.000 0.446 549 T N -1.362 113.209 114.554 0.029 0.000 2.928 549 T HA 0.558 4.909 4.350 0.001 0.000 0.296 549 T C -0.107 174.610 174.700 0.027 0.000 1.000 549 T CA -0.487 61.632 62.100 0.032 0.000 0.989 549 T CB 2.032 70.918 68.868 0.030 0.000 1.005 549 T HN 0.235 nan 8.240 nan 0.000 0.442 550 M N 4.380 123.997 119.600 0.027 0.000 1.538 550 M HA 0.502 4.983 4.480 0.001 0.000 0.174 550 M C 1.146 177.456 176.300 0.017 0.000 1.189 550 M CA 1.212 56.523 55.300 0.020 0.000 0.763 550 M CB -0.353 32.259 32.600 0.020 0.000 1.633 550 M HN 1.285 nan 8.290 nan 0.000 0.618 551 G N 1.367 110.180 108.800 0.021 0.000 2.578 551 G HA2 -0.349 3.612 3.960 0.001 0.000 0.284 551 G HA3 -0.349 3.612 3.960 0.001 0.000 0.284 551 G C 0.472 175.376 174.900 0.008 0.000 1.283 551 G CA 1.546 46.655 45.100 0.015 0.000 0.944 551 G HN 1.219 nan 8.290 nan 0.000 0.558 552 V N -0.178 119.736 119.914 -0.000 0.000 2.492 552 V HA 0.315 4.436 4.120 0.001 0.000 0.241 552 V C 0.823 176.913 176.094 -0.007 0.000 1.041 552 V CA 2.116 64.413 62.300 -0.003 0.000 1.057 552 V CB -0.113 31.706 31.823 -0.007 0.000 0.711 552 V HN 0.678 nan 8.190 nan 0.000 0.468 553 N N 0.424 119.115 118.700 -0.014 0.000 2.682 553 N HA 0.566 5.307 4.740 0.001 0.000 0.252 553 N C 0.332 175.832 175.510 -0.016 0.000 1.081 553 N CA 0.619 53.660 53.050 -0.016 0.000 0.844 553 N CB 1.111 39.584 38.487 -0.023 0.000 1.167 553 N HN 0.596 nan 8.380 nan 0.000 0.523 554 G N 1.620 110.418 108.800 -0.004 0.000 2.690 554 G HA2 -0.367 3.594 3.960 0.001 0.000 0.334 554 G HA3 -0.367 3.594 3.960 0.001 0.000 0.334 554 G C -0.311 174.596 174.900 0.012 0.000 1.250 554 G CA 0.025 45.128 45.100 0.004 0.000 0.994 554 G HN 0.623 nan 8.290 nan 0.000 0.549 555 E N 1.278 121.489 120.200 0.019 0.000 3.254 555 E HA -0.043 4.307 4.350 0.001 0.000 0.221 555 E C 0.377 177.041 176.600 0.107 0.000 1.079 555 E CA -0.117 56.328 56.400 0.075 0.000 0.921 555 E CB -0.157 29.601 29.700 0.096 0.000 0.947 555 E HN 0.367 nan 8.360 nan 0.000 0.554 556 L N 5.715 127.005 121.223 0.113 0.000 2.536 556 L HA 0.022 4.362 4.340 0.001 0.000 0.282 556 L C -0.403 176.594 176.870 0.213 0.000 1.147 556 L CA -0.038 54.872 54.840 0.117 0.000 0.936 556 L CB -0.801 41.300 42.059 0.071 0.000 1.279 556 L HN 0.340 nan 8.230 nan 0.000 0.461 557 H N 6.649 125.734 119.070 0.024 0.000 2.800 557 H HA 0.433 4.990 4.556 0.001 0.000 0.291 557 H C -2.022 173.335 175.328 0.050 0.000 1.076 557 H CA -1.904 54.166 56.048 0.036 0.000 1.452 557 H CB 0.599 30.381 29.762 0.034 0.000 1.461 557 H HN 0.478 nan 8.280 nan 0.000 0.488 558 P HA 0.303 nan 4.420 nan 0.000 0.288 558 P C -0.059 177.270 177.300 0.047 0.000 1.297 558 P CA -0.630 62.497 63.100 0.045 0.000 0.864 558 P CB 2.173 33.934 31.700 0.101 0.000 1.237 559 S N -1.473 114.225 115.700 -0.004 0.000 2.490 559 S HA 0.127 4.597 4.470 0.001 0.000 0.280 559 S C 1.409 175.962 174.600 -0.078 0.000 1.048 559 S CA -0.331 57.852 58.200 -0.027 0.000 1.263 559 S CB -0.355 62.834 63.200 -0.018 0.000 1.053 559 S HN 0.166 nan 8.310 nan 0.000 0.538 560 R N 1.072 121.479 120.500 -0.156 0.000 2.070 560 R HA 0.244 4.585 4.340 0.001 0.000 0.232 560 R C 1.499 177.631 176.300 -0.280 0.000 1.138 560 R CA 2.193 58.115 56.100 -0.296 0.000 0.936 560 R CB -0.729 29.249 30.300 -0.537 0.000 0.839 560 R HN 0.425 nan 8.270 nan 0.000 0.429 561 F N -0.204 119.751 119.950 0.010 0.000 2.325 561 F HA -0.128 4.400 4.527 0.001 0.000 0.299 561 F C 2.514 178.338 175.800 0.040 0.000 1.090 561 F CA 0.459 58.503 58.000 0.074 0.000 1.392 561 F CB -0.756 38.330 39.000 0.143 0.000 1.053 561 F HN 0.152 nan 8.300 nan 0.000 0.521 562 C N 0.437 119.755 119.300 0.029 0.000 2.432 562 C HA -0.183 4.278 4.460 0.001 0.000 0.277 562 C C 2.947 177.760 174.990 -0.295 0.000 1.249 562 C CA 1.549 60.281 59.018 -0.478 0.000 1.725 562 C CB -0.999 26.515 27.740 -0.378 0.000 2.028 562 C HN 0.613 nan 8.230 nan 0.000 0.477 563 E N 0.311 120.414 120.200 -0.161 0.000 2.058 563 E HA -0.263 4.088 4.350 0.001 0.000 0.194 563 E C 2.127 178.679 176.600 -0.080 0.000 0.997 563 E CA 1.467 57.799 56.400 -0.113 0.000 0.801 563 E CB -0.167 29.487 29.700 -0.076 0.000 0.746 563 E HN 0.612 nan 8.360 nan 0.000 0.450 564 K N 0.141 120.511 120.400 -0.050 0.000 2.147 564 K HA -0.139 4.181 4.320 0.001 0.000 0.205 564 K C 1.846 178.443 176.600 -0.005 0.000 1.049 564 K CA 1.385 57.664 56.287 -0.013 0.000 0.936 564 K CB 0.014 32.524 32.500 0.018 0.000 0.722 564 K HN 0.157 nan 8.250 nan 0.000 0.446 565 D N 0.783 121.176 120.400 -0.012 0.000 2.183 565 D HA -0.063 4.578 4.640 0.001 0.000 0.203 565 D C 1.837 178.097 176.300 -0.065 0.000 0.969 565 D CA 0.764 54.757 54.000 -0.011 0.000 0.842 565 D CB 0.060 40.888 40.800 0.046 0.000 0.957 565 D HN 0.114 nan 8.370 nan 0.000 0.484 566 L N 0.155 121.309 121.223 -0.116 0.000 2.093 566 L HA -0.106 4.234 4.340 0.001 0.000 0.208 566 L C 2.462 179.302 176.870 -0.050 0.000 1.085 566 L CA 0.600 55.376 54.840 -0.107 0.000 0.755 566 L CB -0.240 41.734 42.059 -0.142 0.000 0.904 566 L HN 0.031 nan 8.230 nan 0.000 0.435 567 L N -0.825 120.377 121.223 -0.035 0.000 2.093 567 L HA -0.167 4.174 4.340 0.001 0.000 0.208 567 L C 2.769 179.626 176.870 -0.021 0.000 1.085 567 L CA 1.055 55.885 54.840 -0.017 0.000 0.755 567 L CB -0.466 41.586 42.059 -0.011 0.000 0.904 567 L HN 0.189 nan 8.230 nan 0.000 0.435 568 R N -0.519 119.966 120.500 -0.025 0.000 2.120 568 R HA -0.126 4.215 4.340 0.001 0.000 0.234 568 R C 2.254 178.524 176.300 -0.050 0.000 1.123 568 R CA 1.083 57.165 56.100 -0.030 0.000 0.975 568 R CB -0.442 29.847 30.300 -0.019 0.000 0.866 568 R HN 0.194 nan 8.270 nan 0.000 0.446 569 V N 0.555 120.438 119.914 -0.052 0.000 2.287 569 V HA -0.240 3.880 4.120 0.001 0.000 0.248 569 V C 2.346 178.403 176.094 -0.062 0.000 1.053 569 V CA 1.775 64.035 62.300 -0.067 0.000 1.027 569 V CB -0.326 31.454 31.823 -0.072 0.000 0.646 569 V HN 0.128 nan 8.190 nan 0.000 0.447 570 V N -0.100 119.790 119.914 -0.039 0.000 2.343 570 V HA -0.254 3.867 4.120 0.001 0.000 0.247 570 V C 2.237 178.332 176.094 0.002 0.000 1.051 570 V CA 2.127 64.427 62.300 -0.001 0.000 1.036 570 V CB -0.727 31.107 31.823 0.017 0.000 0.654 570 V HN 0.552 nan 8.190 nan 0.000 0.451 571 D N -0.275 120.109 120.400 -0.027 0.000 2.178 571 D HA -0.148 4.492 4.640 0.001 0.000 0.202 571 D C 2.338 178.562 176.300 -0.127 0.000 0.974 571 D CA 1.308 55.283 54.000 -0.041 0.000 0.841 571 D CB -0.055 40.725 40.800 -0.034 0.000 0.953 571 D HN 0.472 nan 8.370 nan 0.000 0.478 572 R N 0.678 121.080 120.500 -0.164 0.000 2.100 572 R HA -0.030 4.311 4.340 0.001 0.000 0.220 572 R C 0.592 176.716 176.300 -0.294 0.000 1.091 572 R CA 0.312 56.235 56.100 -0.295 0.000 0.986 572 R CB 0.190 30.361 30.300 -0.216 0.000 0.888 572 R HN -0.166 nan 8.270 nan 0.000 0.444 573 E N 0.434 120.552 120.200 -0.137 0.000 2.383 573 E HA 0.020 4.371 4.350 0.001 0.000 0.264 573 E C -1.327 175.303 176.600 0.051 0.000 1.050 573 E CA -0.179 56.181 56.400 -0.067 0.000 0.896 573 E CB 0.391 30.128 29.700 0.061 0.000 0.982 573 E HN 0.092 nan 8.360 nan 0.000 0.424 574 Y N 4.752 125.074 120.300 0.037 0.000 2.480 574 Y HA 0.009 4.559 4.550 0.001 0.000 0.341 574 Y C 1.514 177.311 175.900 -0.172 0.000 1.031 574 Y CA -0.659 57.422 58.100 -0.031 0.000 1.295 574 Y CB 0.099 38.544 38.460 -0.025 0.000 1.162 574 Y HN 0.585 nan 8.280 nan 0.000 0.523 575 I N 2.083 122.531 120.570 -0.203 0.000 2.143 575 I HA -0.390 3.781 4.170 0.001 0.000 0.245 575 I C 1.750 177.372 176.117 -0.823 0.000 1.068 575 I CA 1.972 62.831 61.300 -0.736 0.000 1.326 575 I CB -0.478 37.064 38.000 -0.762 0.000 1.028 575 I HN 0.545 nan 8.210 nan 0.000 0.412 576 F N 0.720 120.491 119.950 -0.299 0.000 2.748 576 F HA 0.047 4.575 4.527 0.002 0.000 0.299 576 F C 2.321 177.946 175.800 -0.292 0.000 1.154 576 F CA 0.627 58.458 58.000 -0.281 0.000 1.446 576 F CB -0.938 37.937 39.000 -0.209 0.000 1.112 576 F HN 0.020 nan 8.300 nan 0.000 0.584 577 A N -0.991 121.754 122.820 -0.125 0.000 2.206 577 A HA -0.064 4.256 4.320 0.001 0.000 0.211 577 A C 1.215 178.547 177.584 -0.419 0.000 1.158 577 A CA 1.344 53.280 52.037 -0.168 0.000 0.761 577 A CB -0.987 18.017 19.000 0.007 0.000 0.801 577 A HN 0.591 nan 8.150 nan 0.000 0.473 578 Y N -6.129 113.925 120.300 -0.410 0.000 2.617 578 Y HA 0.370 4.921 4.550 0.001 0.000 0.280 578 Y C 0.891 176.705 175.900 -0.143 0.000 1.005 578 Y CA -0.592 57.200 58.100 -0.513 0.000 1.194 578 Y CB -0.259 38.068 38.460 -0.221 0.000 1.405 578 Y HN -0.032 nan 8.280 nan 0.000 0.580 579 I N 3.266 123.589 120.570 -0.411 0.000 2.830 579 I HA -0.156 4.015 4.170 0.001 0.000 0.263 579 I C 1.912 178.047 176.117 0.029 0.000 1.230 579 I CA 1.574 62.755 61.300 -0.198 0.000 1.480 579 I CB -0.458 37.330 38.000 -0.354 0.000 1.095 579 I HN 0.499 nan 8.210 nan 0.000 0.455 580 D N -0.899 119.547 120.400 0.077 0.000 2.312 580 D HA -0.153 4.488 4.640 0.001 0.000 0.211 580 D C 0.323 176.749 176.300 0.209 0.000 0.964 580 D CA 0.587 54.672 54.000 0.141 0.000 0.877 580 D CB -0.025 40.862 40.800 0.146 0.000 0.924 580 D HN 0.312 nan 8.370 nan 0.000 0.515 581 D N 0.027 120.626 120.400 0.332 0.000 3.118 581 D HA 0.105 4.746 4.640 0.001 0.000 0.259 581 D C -1.981 174.524 176.300 0.342 0.000 1.292 581 D CA -1.334 52.834 54.000 0.279 0.000 0.784 581 D CB 1.189 42.101 40.800 0.187 0.000 1.413 581 D HN -0.139 nan 8.370 nan 0.000 0.583 582 P HA -0.036 nan 4.420 nan 0.000 0.220 582 P C 1.004 178.402 177.300 0.164 0.000 1.148 582 P CA 0.597 63.886 63.100 0.316 0.000 0.803 582 P CB 0.247 32.103 31.700 0.260 0.000 0.782 583 C N -0.611 118.750 119.300 0.102 0.000 2.855 583 C HA 0.269 4.730 4.460 0.001 0.000 0.279 583 C C 1.377 176.385 174.990 0.029 0.000 1.270 583 C CA -0.367 58.673 59.018 0.036 0.000 1.702 583 C CB -1.672 26.066 27.740 -0.004 0.000 1.949 583 C HN 0.241 nan 8.230 nan 0.000 0.618 584 S N 1.372 117.101 115.700 0.048 0.000 2.546 584 S HA 0.292 4.763 4.470 0.001 0.000 0.290 584 S C 1.330 175.925 174.600 -0.007 0.000 1.290 584 S CA 0.447 58.628 58.200 -0.032 0.000 1.069 584 S CB 0.699 63.779 63.200 -0.200 0.000 0.846 584 S HN 0.587 nan 8.310 nan 0.000 0.495 585 A N 3.975 126.779 122.820 -0.027 0.000 1.972 585 A HA -0.037 4.284 4.320 0.001 0.000 0.219 585 A C 2.099 179.689 177.584 0.009 0.000 1.169 585 A CA 1.902 53.935 52.037 -0.006 0.000 0.635 585 A CB -1.120 17.873 19.000 -0.012 0.000 0.810 585 A HN 1.110 nan 8.150 nan 0.000 0.446 586 T N -4.480 110.063 114.554 -0.018 0.000 3.122 586 T HA 0.318 4.669 4.350 0.001 0.000 0.250 586 T C 0.089 174.866 174.700 0.127 0.000 1.067 586 T CA -0.313 61.796 62.100 0.015 0.000 0.966 586 T CB -0.281 68.567 68.868 -0.034 0.000 1.002 586 T HN 0.179 nan 8.240 nan 0.000 0.542 587 Y N 2.117 122.437 120.300 0.034 0.000 2.453 587 Y HA 0.413 4.964 4.550 0.001 0.000 0.326 587 Y C -1.693 174.216 175.900 0.016 0.000 1.186 587 Y CA -3.170 54.963 58.100 0.055 0.000 1.200 587 Y CB 1.715 40.234 38.460 0.098 0.000 1.247 587 Y HN -0.111 nan 8.280 nan 0.000 0.482 588 P HA -0.125 nan 4.420 nan 0.000 0.223 588 P C 1.664 178.896 177.300 -0.113 0.000 1.151 588 P CA 0.862 63.977 63.100 0.025 0.000 0.787 588 P CB 0.565 32.283 31.700 0.030 0.000 0.788 589 L N -0.420 120.622 121.223 -0.302 0.000 1.988 589 L HA -0.062 4.278 4.340 0.001 0.000 0.207 589 L C 2.739 179.492 176.870 -0.194 0.000 1.071 589 L CA 1.912 56.454 54.840 -0.497 0.000 0.744 589 L CB -1.285 40.189 42.059 -0.976 0.000 0.893 589 L HN -0.172 nan 8.230 nan 0.000 0.433 590 M N -1.036 118.507 119.600 -0.096 0.000 2.080 590 M HA -0.290 4.191 4.480 0.001 0.000 0.260 590 M C 2.268 178.566 176.300 -0.003 0.000 1.068 590 M CA 1.951 57.242 55.300 -0.015 0.000 1.109 590 M CB -0.182 32.424 32.600 0.011 0.000 1.342 590 M HN 0.373 nan 8.290 nan 0.000 0.405 591 Q N -0.093 119.706 119.800 -0.003 0.000 2.030 591 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 591 Q C 2.018 178.010 176.000 -0.013 0.000 0.986 591 Q CA 1.977 57.782 55.803 0.004 0.000 0.843 591 Q CB -0.203 28.545 28.738 0.018 0.000 0.904 591 Q HN 0.555 nan 8.270 nan 0.000 0.420 592 K N 0.305 120.682 120.400 -0.038 0.000 2.155 592 K HA -0.036 4.285 4.320 0.001 0.000 0.203 592 K C 2.147 178.716 176.600 -0.052 0.000 1.052 592 K CA 0.646 56.906 56.287 -0.046 0.000 0.948 592 K CB -0.008 32.453 32.500 -0.066 0.000 0.728 592 K HN 0.205 nan 8.250 nan 0.000 0.448 593 L N 0.703 121.894 121.223 -0.052 0.000 2.017 593 L HA -0.159 4.182 4.340 0.001 0.000 0.208 593 L C 2.800 179.621 176.870 -0.081 0.000 1.073 593 L CA 1.202 56.009 54.840 -0.055 0.000 0.745 593 L CB -0.407 41.681 42.059 0.049 0.000 0.894 593 L HN 0.193 nan 8.230 nan 0.000 0.432 594 R N 0.093 120.575 120.500 -0.029 0.000 2.081 594 R HA -0.208 4.133 4.340 0.001 0.000 0.235 594 R C 2.297 178.584 176.300 -0.022 0.000 1.131 594 R CA 1.613 57.695 56.100 -0.030 0.000 0.960 594 R CB -0.123 30.180 30.300 0.004 0.000 0.856 594 R HN 0.431 nan 8.270 nan 0.000 0.436 595 Q N -0.833 118.960 119.800 -0.011 0.000 2.135 595 Q HA -0.143 4.197 4.340 0.001 0.000 0.204 595 Q C 1.927 177.932 176.000 0.008 0.000 0.981 595 Q CA 2.161 57.968 55.803 0.006 0.000 0.856 595 Q CB 0.033 28.772 28.738 0.002 0.000 0.902 595 Q HN 0.384 nan 8.270 nan 0.000 0.425 596 T N 1.135 115.675 114.554 -0.025 0.000 2.777 596 T HA -0.088 4.263 4.350 0.001 0.000 0.266 596 T C 1.852 176.542 174.700 -0.018 0.000 1.040 596 T CA 0.811 62.902 62.100 -0.016 0.000 1.141 596 T CB -0.161 68.650 68.868 -0.094 0.000 0.868 596 T HN 0.170 nan 8.240 nan 0.000 0.444 597 L N 0.692 121.849 121.223 -0.109 0.000 2.012 597 L HA -0.102 4.239 4.340 0.001 0.000 0.210 597 L C 2.671 179.567 176.870 0.042 0.000 1.073 597 L CA 0.992 55.765 54.840 -0.111 0.000 0.748 597 L CB -0.764 41.172 42.059 -0.204 0.000 0.891 597 L HN 0.132 nan 8.230 nan 0.000 0.431 598 V N -0.172 119.786 119.914 0.074 0.000 2.332 598 V HA -0.297 3.824 4.120 0.001 0.000 0.248 598 V C 2.512 178.672 176.094 0.110 0.000 1.055 598 V CA 2.030 64.417 62.300 0.144 0.000 1.038 598 V CB -0.438 31.470 31.823 0.142 0.000 0.651 598 V HN 0.441 nan 8.190 nan 0.000 0.450 599 E N -0.286 119.973 120.200 0.098 0.000 2.110 599 E HA -0.221 4.130 4.350 0.001 0.000 0.193 599 E C 2.063 178.699 176.600 0.059 0.000 0.988 599 E CA 1.546 57.988 56.400 0.071 0.000 0.804 599 E CB -0.228 29.515 29.700 0.073 0.000 0.745 599 E HN 0.750 nan 8.360 nan 0.000 0.458 600 H N -0.859 118.206 119.070 -0.008 0.000 2.428 600 H HA 0.164 4.721 4.556 0.001 0.000 0.296 600 H C 1.721 177.056 175.328 0.012 0.000 1.062 600 H CA 1.329 57.374 56.048 -0.004 0.000 1.350 600 H CB -0.244 29.515 29.762 -0.006 0.000 1.403 600 H HN 0.285 nan 8.280 nan 0.000 0.533 601 A N 0.491 123.399 122.820 0.146 0.000 1.898 601 A HA -0.102 4.219 4.320 0.001 0.000 0.216 601 A C 2.255 179.869 177.584 0.050 0.000 1.181 601 A CA 1.182 53.287 52.037 0.112 0.000 0.620 601 A CB -0.773 18.331 19.000 0.174 0.000 0.819 601 A HN 0.356 nan 8.150 nan 0.000 0.442 602 L N -0.965 120.274 121.223 0.027 0.000 2.265 602 L HA -0.129 4.212 4.340 0.001 0.000 0.215 602 L C 2.068 178.919 176.870 -0.032 0.000 1.117 602 L CA 1.238 56.070 54.840 -0.014 0.000 0.782 602 L CB -0.230 41.817 42.059 -0.020 0.000 0.914 602 L HN 0.329 nan 8.230 nan 0.000 0.441 603 K N -0.689 119.683 120.400 -0.047 0.000 2.404 603 K HA 0.004 4.325 4.320 0.001 0.000 0.194 603 K C 1.112 177.681 176.600 -0.051 0.000 1.023 603 K CA -0.025 56.215 56.287 -0.077 0.000 1.094 603 K CB 0.102 32.509 32.500 -0.155 0.000 0.841 603 K HN 0.084 nan 8.250 nan 0.000 0.523 604 N N 0.907 119.600 118.700 -0.012 0.000 2.467 604 N HA -0.035 4.706 4.740 0.001 0.000 0.184 604 N C 0.744 176.262 175.510 0.014 0.000 1.106 604 N CA 0.862 53.921 53.050 0.015 0.000 0.892 604 N CB 0.341 38.859 38.487 0.050 0.000 0.969 604 N HN 0.284 nan 8.380 nan 0.000 0.454 605 G N 0.562 109.361 108.800 -0.002 0.000 2.556 605 G HA2 -0.351 3.609 3.960 0.001 0.000 0.283 605 G HA3 -0.351 3.609 3.960 0.001 0.000 0.283 605 G C 0.480 175.384 174.900 0.005 0.000 1.177 605 G CA 0.367 45.465 45.100 -0.003 0.000 0.978 605 G HN 0.324 nan 8.290 nan 0.000 0.554 606 D N 0.748 121.154 120.400 0.010 0.000 2.234 606 D HA -0.033 4.608 4.640 0.001 0.000 0.205 606 D C 2.344 178.657 176.300 0.022 0.000 0.962 606 D CA 0.927 54.934 54.000 0.012 0.000 0.855 606 D CB -0.187 40.619 40.800 0.010 0.000 0.951 606 D HN 0.273 nan 8.370 nan 0.000 0.500 607 N N 0.979 119.699 118.700 0.033 0.000 2.289 607 N HA -0.165 4.576 4.740 0.001 0.000 0.184 607 N C 1.585 177.122 175.510 0.046 0.000 1.016 607 N CA 0.632 53.710 53.050 0.046 0.000 0.872 607 N CB -0.149 38.378 38.487 0.067 0.000 0.973 607 N HN 0.163 nan 8.380 nan 0.000 0.433 608 E N 0.761 120.985 120.200 0.041 0.000 2.153 608 E HA -0.033 4.318 4.350 0.001 0.000 0.194 608 E C 1.434 178.055 176.600 0.036 0.000 0.988 608 E CA 1.000 57.427 56.400 0.045 0.000 0.811 608 E CB 0.055 29.775 29.700 0.032 0.000 0.746 608 E HN 0.203 nan 8.360 nan 0.000 0.466 609 R N -0.140 120.374 120.500 0.022 0.000 2.299 609 R HA 0.146 4.486 4.340 0.001 0.000 0.197 609 R C 0.310 176.623 176.300 0.021 0.000 0.971 609 R CA 0.223 56.332 56.100 0.015 0.000 1.030 609 R CB -0.155 30.148 30.300 0.005 0.000 0.932 609 R HN 0.070 nan 8.270 nan 0.000 0.477 610 N N 0.556 119.273 118.700 0.027 0.000 2.422 610 N HA 0.010 4.751 4.740 0.001 0.000 0.266 610 N C 0.493 176.024 175.510 0.037 0.000 1.007 610 N CA -0.312 52.755 53.050 0.027 0.000 0.941 610 N CB 0.906 39.407 38.487 0.024 0.000 1.115 610 N HN -0.044 nan 8.380 nan 0.000 0.492 611 L N 3.962 125.207 121.223 0.035 0.000 2.081 611 L HA -0.205 4.136 4.340 0.001 0.000 0.212 611 L C 2.372 179.267 176.870 0.041 0.000 1.080 611 L CA 1.877 56.743 54.840 0.043 0.000 0.754 611 L CB -0.601 41.480 42.059 0.037 0.000 0.893 611 L HN 0.721 nan 8.230 nan 0.000 0.433 612 S N -2.858 112.862 115.700 0.032 0.000 2.436 612 S HA -0.086 4.385 4.470 0.001 0.000 0.228 612 S C 1.537 176.158 174.600 0.036 0.000 1.014 612 S CA 0.914 59.131 58.200 0.028 0.000 0.950 612 S CB -0.882 62.329 63.200 0.019 0.000 0.784 612 S HN 0.601 nan 8.310 nan 0.000 0.504 613 T N -0.850 113.729 114.554 0.043 0.000 3.176 613 T HA 0.352 4.703 4.350 0.001 0.000 0.263 613 T C 0.305 175.045 174.700 0.066 0.000 1.021 613 T CA -0.192 61.942 62.100 0.057 0.000 0.905 613 T CB 0.090 68.993 68.868 0.060 0.000 1.057 613 T HN 0.240 nan 8.240 nan 0.000 0.558 614 S N 0.550 116.290 115.700 0.067 0.000 2.489 614 S HA 0.446 4.917 4.470 0.001 0.000 0.277 614 S C 1.180 175.832 174.600 0.087 0.000 1.230 614 S CA -0.824 57.427 58.200 0.086 0.000 1.053 614 S CB 0.029 63.290 63.200 0.102 0.000 0.955 614 S HN 0.404 nan 8.310 nan 0.000 0.488 615 I N 4.333 124.963 120.570 0.099 0.000 2.286 615 I HA -0.042 4.129 4.170 0.001 0.000 0.245 615 I C 1.881 178.048 176.117 0.082 0.000 1.104 615 I CA 0.882 62.226 61.300 0.074 0.000 1.397 615 I CB -0.310 37.739 38.000 0.082 0.000 1.072 615 I HN 0.726 nan 8.210 nan 0.000 0.417 616 F N 1.695 121.649 119.950 0.007 0.000 2.161 616 F HA -0.283 4.245 4.527 0.001 0.000 0.300 616 F C 2.432 178.239 175.800 0.012 0.000 1.089 616 F CA 1.649 59.653 58.000 0.006 0.000 1.282 616 F CB -0.156 38.849 39.000 0.008 0.000 1.010 616 F HN 0.019 nan 8.300 nan 0.000 0.485 617 Q N 0.363 120.213 119.800 0.083 0.000 2.482 617 Q HA -0.030 4.311 4.340 0.001 0.000 0.209 617 Q C 1.278 177.253 176.000 -0.042 0.000 0.961 617 Q CA 0.938 56.751 55.803 0.017 0.000 0.945 617 Q CB -0.152 28.633 28.738 0.078 0.000 1.012 617 Q HN 0.342 nan 8.270 nan 0.000 0.515 618 K N -1.043 119.323 120.400 -0.056 0.000 2.358 618 K HA 0.205 4.526 4.320 0.001 0.000 0.200 618 K C 1.201 177.778 176.600 -0.039 0.000 1.030 618 K CA -0.074 56.196 56.287 -0.029 0.000 1.097 618 K CB 0.584 33.084 32.500 0.000 0.000 0.862 618 K HN 0.217 nan 8.250 nan 0.000 0.534 619 I N 1.544 122.024 120.570 -0.150 0.000 2.127 619 I HA -0.312 3.859 4.170 0.001 0.000 0.241 619 I C 2.497 178.593 176.117 -0.034 0.000 1.075 619 I CA 1.515 62.734 61.300 -0.134 0.000 1.334 619 I CB -0.341 37.456 38.000 -0.337 0.000 1.040 619 I HN 0.121 nan 8.210 nan 0.000 0.405 620 A N 0.084 122.846 122.820 -0.097 0.000 1.940 620 A HA -0.220 4.101 4.320 0.001 0.000 0.219 620 A C 2.359 179.935 177.584 -0.014 0.000 1.176 620 A CA 2.539 54.545 52.037 -0.052 0.000 0.631 620 A CB -1.086 17.875 19.000 -0.066 0.000 0.814 620 A HN 0.428 nan 8.150 nan 0.000 0.446 621 T N -0.963 113.592 114.554 0.002 0.000 2.737 621 T HA -0.098 4.253 4.350 0.001 0.000 0.265 621 T C 1.614 176.330 174.700 0.027 0.000 1.038 621 T CA 1.428 63.535 62.100 0.011 0.000 1.144 621 T CB -0.425 68.455 68.868 0.020 0.000 0.866 621 T HN 0.492 nan 8.240 nan 0.000 0.434 622 F N 2.221 122.133 119.950 -0.063 0.000 2.091 622 F HA -0.173 4.355 4.527 0.001 0.000 0.299 622 F C 2.263 178.029 175.800 -0.056 0.000 1.103 622 F CA 1.636 59.601 58.000 -0.059 0.000 1.228 622 F CB -0.285 38.673 39.000 -0.069 0.000 0.984 622 F HN 0.208 nan 8.300 nan 0.000 0.477 623 E N -0.321 119.871 120.200 -0.012 0.000 2.072 623 E HA -0.203 4.148 4.350 0.001 0.000 0.191 623 E C 1.835 178.346 176.600 -0.149 0.000 0.985 623 E CA 1.254 57.594 56.400 -0.099 0.000 0.801 623 E CB -0.269 29.442 29.700 0.019 0.000 0.750 623 E HN 0.446 nan 8.360 nan 0.000 0.452 624 D N 0.689 121.028 120.400 -0.101 0.000 2.117 624 D HA -0.134 4.507 4.640 0.001 0.000 0.197 624 D C 1.862 178.090 176.300 -0.120 0.000 0.987 624 D CA 0.884 54.831 54.000 -0.089 0.000 0.829 624 D CB -0.040 40.726 40.800 -0.057 0.000 0.961 624 D HN 0.077 nan 8.370 nan 0.000 0.460 625 E N 0.113 120.217 120.200 -0.159 0.000 2.107 625 E HA -0.083 4.268 4.350 0.001 0.000 0.191 625 E C 2.158 178.624 176.600 -0.223 0.000 0.982 625 E CA 0.082 56.383 56.400 -0.165 0.000 0.809 625 E CB -0.248 29.364 29.700 -0.148 0.000 0.756 625 E HN 0.209 nan 8.360 nan 0.000 0.459 626 L N 1.698 122.703 121.223 -0.363 0.000 2.056 626 L HA -0.121 4.220 4.340 0.001 0.000 0.207 626 L C 2.299 179.055 176.870 -0.190 0.000 1.078 626 L CA 1.765 56.395 54.840 -0.350 0.000 0.749 626 L CB -0.356 41.372 42.059 -0.551 0.000 0.901 626 L HN -0.045 nan 8.230 nan 0.000 0.433 627 K N -0.855 119.451 120.400 -0.156 0.000 2.147 627 K HA -0.132 4.189 4.320 0.001 0.000 0.205 627 K C 1.864 178.423 176.600 -0.068 0.000 1.049 627 K CA 1.205 57.438 56.287 -0.089 0.000 0.936 627 K CB -0.122 32.336 32.500 -0.070 0.000 0.722 627 K HN 0.417 nan 8.250 nan 0.000 0.446 628 A N 0.432 123.205 122.820 -0.078 0.000 2.016 628 A HA -0.035 4.286 4.320 0.001 0.000 0.217 628 A C 1.806 179.359 177.584 -0.052 0.000 1.162 628 A CA 0.837 52.839 52.037 -0.057 0.000 0.662 628 A CB -0.141 18.825 19.000 -0.057 0.000 0.812 628 A HN 0.363 nan 8.150 nan 0.000 0.450 629 L N -1.901 119.282 121.223 -0.066 0.000 2.445 629 L HA 0.302 4.643 4.340 0.001 0.000 0.207 629 L C 1.915 178.759 176.870 -0.043 0.000 1.053 629 L CA 0.992 55.800 54.840 -0.054 0.000 0.841 629 L CB -0.456 41.563 42.059 -0.066 0.000 1.074 629 L HN 0.221 nan 8.230 nan 0.000 0.479 630 L N 0.908 122.101 121.223 -0.051 0.000 2.017 630 L HA -0.009 4.332 4.340 0.001 0.000 0.208 630 L C -0.647 176.220 176.870 -0.004 0.000 1.073 630 L CA 2.039 56.862 54.840 -0.028 0.000 0.745 630 L CB -1.669 40.372 42.059 -0.030 0.000 0.894 630 L HN 0.137 nan 8.230 nan 0.000 0.432 631 P HA -0.206 nan 4.420 nan 0.000 0.215 631 P C 1.352 178.655 177.300 0.006 0.000 1.157 631 P CA 1.850 64.957 63.100 0.012 0.000 0.874 631 P CB -0.040 31.666 31.700 0.010 0.000 0.790 632 K N -0.720 119.678 120.400 -0.003 0.000 2.148 632 K HA -0.115 4.206 4.320 0.001 0.000 0.204 632 K C 2.041 178.637 176.600 -0.006 0.000 1.050 632 K CA 0.915 57.199 56.287 -0.004 0.000 0.942 632 K CB -0.229 32.266 32.500 -0.008 0.000 0.724 632 K HN 0.117 nan 8.250 nan 0.000 0.446 633 E N 0.541 120.736 120.200 -0.009 0.000 2.072 633 E HA -0.124 4.227 4.350 0.001 0.000 0.191 633 E C 2.168 178.763 176.600 -0.008 0.000 0.985 633 E CA 0.896 57.291 56.400 -0.010 0.000 0.801 633 E CB -0.208 29.484 29.700 -0.013 0.000 0.750 633 E HN 0.041 nan 8.360 nan 0.000 0.452 634 V N 1.524 121.437 119.914 -0.002 0.000 2.343 634 V HA -0.246 3.874 4.120 0.001 0.000 0.247 634 V C 2.478 178.569 176.094 -0.004 0.000 1.051 634 V CA 2.051 64.349 62.300 -0.002 0.000 1.036 634 V CB -0.472 31.358 31.823 0.011 0.000 0.654 634 V HN 0.197 nan 8.190 nan 0.000 0.451 635 E N 0.644 120.845 120.200 0.002 0.000 2.110 635 E HA -0.169 4.182 4.350 0.001 0.000 0.193 635 E C 2.274 178.872 176.600 -0.004 0.000 0.988 635 E CA 1.865 58.266 56.400 0.003 0.000 0.804 635 E CB -0.399 29.305 29.700 0.007 0.000 0.745 635 E HN 0.540 nan 8.360 nan 0.000 0.458 636 S N -0.051 115.645 115.700 -0.006 0.000 2.368 636 S HA -0.067 4.403 4.470 0.001 0.000 0.224 636 S C 1.992 176.583 174.600 -0.014 0.000 1.029 636 S CA 0.920 59.115 58.200 -0.009 0.000 0.988 636 S CB -0.414 62.781 63.200 -0.008 0.000 0.838 636 S HN 0.511 nan 8.310 nan 0.000 0.462 637 A N 1.754 124.563 122.820 -0.019 0.000 1.902 637 A HA -0.103 4.218 4.320 0.001 0.000 0.217 637 A C 2.066 179.625 177.584 -0.040 0.000 1.181 637 A CA 1.642 53.662 52.037 -0.029 0.000 0.623 637 A CB -0.507 18.473 19.000 -0.034 0.000 0.818 637 A HN 0.432 nan 8.150 nan 0.000 0.443 638 R N -0.418 120.060 120.500 -0.035 0.000 2.081 638 R HA -0.065 4.275 4.340 0.001 0.000 0.235 638 R C 2.279 178.557 176.300 -0.036 0.000 1.131 638 R CA 1.478 57.553 56.100 -0.041 0.000 0.960 638 R CB -0.408 29.880 30.300 -0.020 0.000 0.856 638 R HN 0.423 nan 8.270 nan 0.000 0.436 639 A N 0.561 123.369 122.820 -0.020 0.000 1.933 639 A HA -0.070 4.251 4.320 0.001 0.000 0.218 639 A C 2.336 179.911 177.584 -0.015 0.000 1.175 639 A CA 1.555 53.584 52.037 -0.013 0.000 0.628 639 A CB -0.782 18.214 19.000 -0.005 0.000 0.814 639 A HN 0.536 nan 8.150 nan 0.000 0.444 640 A N -0.140 122.670 122.820 -0.017 0.000 1.883 640 A HA -0.120 4.201 4.320 0.001 0.000 0.217 640 A C 2.234 179.809 177.584 -0.014 0.000 1.186 640 A CA 1.637 53.666 52.037 -0.012 0.000 0.624 640 A CB -0.709 18.283 19.000 -0.013 0.000 0.822 640 A HN 0.696 nan 8.150 nan 0.000 0.444 641 L N -0.479 120.721 121.223 -0.038 0.000 2.017 641 L HA -0.198 4.143 4.340 0.001 0.000 0.208 641 L C 2.369 179.220 176.870 -0.031 0.000 1.073 641 L CA 2.216 57.024 54.840 -0.053 0.000 0.745 641 L CB -0.393 41.576 42.059 -0.150 0.000 0.894 641 L HN 0.497 nan 8.230 nan 0.000 0.432 642 E N -0.477 119.696 120.200 -0.044 0.000 2.265 642 E HA -0.196 4.155 4.350 0.001 0.000 0.196 642 E C 1.948 178.545 176.600 -0.005 0.000 0.996 642 E CA 1.228 57.607 56.400 -0.034 0.000 0.832 642 E CB -0.054 29.626 29.700 -0.032 0.000 0.756 642 E HN 0.653 nan 8.360 nan 0.000 0.491 643 S N -0.983 114.718 115.700 0.002 0.000 2.593 643 S HA 0.176 4.647 4.470 0.001 0.000 0.217 643 S C 1.458 176.071 174.600 0.022 0.000 0.966 643 S CA 0.267 58.474 58.200 0.011 0.000 0.914 643 S CB 0.489 63.694 63.200 0.008 0.000 0.776 643 S HN 0.334 nan 8.310 nan 0.000 0.523 644 G N 1.604 110.423 108.800 0.032 0.000 2.136 644 G HA2 -0.213 3.748 3.960 0.001 0.000 0.242 644 G HA3 -0.213 3.748 3.960 0.001 0.000 0.242 644 G C -0.077 174.850 174.900 0.045 0.000 0.989 644 G CA 0.067 45.196 45.100 0.048 0.000 0.682 644 G HN 0.574 nan 8.290 nan 0.000 0.522 645 N N 1.255 119.976 118.700 0.036 0.000 2.757 645 N HA 0.243 4.984 4.740 0.001 0.000 0.296 645 N C -2.858 172.669 175.510 0.027 0.000 1.874 645 N CA -0.729 52.339 53.050 0.029 0.000 0.885 645 N CB 2.009 40.505 38.487 0.017 0.000 1.242 645 N HN 0.325 nan 8.380 nan 0.000 0.488 646 P HA 0.141 nan 4.420 nan 0.000 0.274 646 P C 0.726 178.047 177.300 0.034 0.000 1.231 646 P CA -0.169 62.954 63.100 0.039 0.000 0.790 646 P CB 1.431 33.205 31.700 0.123 0.000 0.951 647 A N 3.243 126.069 122.820 0.011 0.000 1.940 647 A HA -0.061 4.260 4.320 0.001 0.000 0.219 647 A C 1.230 178.826 177.584 0.020 0.000 1.176 647 A CA 1.257 53.299 52.037 0.008 0.000 0.631 647 A CB -0.794 18.203 19.000 -0.005 0.000 0.814 647 A HN 0.584 nan 8.150 nan 0.000 0.446 648 I N 0.613 121.209 120.570 0.045 0.000 2.436 648 I HA 0.302 4.472 4.170 0.001 0.000 0.289 648 I C -2.581 173.606 176.117 0.117 0.000 1.010 648 I CA -2.595 58.737 61.300 0.053 0.000 1.098 648 I CB 2.312 40.338 38.000 0.043 0.000 1.266 648 I HN -0.001 nan 8.210 nan 0.000 0.434 649 P HA 0.001 nan 4.420 nan 0.000 0.272 649 P C -0.668 176.518 177.300 -0.190 0.000 1.230 649 P CA -0.371 62.701 63.100 -0.047 0.000 0.788 649 P CB 0.513 32.157 31.700 -0.094 0.000 0.949 650 N N 2.051 120.419 118.700 -0.554 0.000 2.438 650 N HA -0.027 4.714 4.740 0.001 0.000 0.267 650 N C 1.196 176.455 175.510 -0.419 0.000 1.222 650 N CA 0.225 52.819 53.050 -0.760 0.000 0.930 650 N CB 0.131 38.084 38.487 -0.890 0.000 1.083 650 N HN 0.223 nan 8.380 nan 0.000 0.476 651 R N 2.935 123.224 120.500 -0.352 0.000 2.241 651 R HA -0.122 4.219 4.340 0.001 0.000 0.224 651 R C 1.509 177.507 176.300 -0.504 0.000 1.101 651 R CA 0.484 56.318 56.100 -0.443 0.000 0.995 651 R CB -0.181 29.776 30.300 -0.571 0.000 0.870 651 R HN 0.549 nan 8.270 nan 0.000 0.463 652 I N 2.151 122.480 120.570 -0.402 0.000 2.423 652 I HA -0.240 3.931 4.170 0.001 0.000 0.254 652 I C 1.498 177.397 176.117 -0.363 0.000 1.151 652 I CA 1.560 62.705 61.300 -0.259 0.000 1.421 652 I CB -0.084 37.742 38.000 -0.291 0.000 1.079 652 I HN 0.125 nan 8.210 nan 0.000 0.431 653 E N 0.077 119.922 120.200 -0.591 0.000 2.265 653 E HA -0.186 4.164 4.350 0.001 0.000 0.196 653 E C 1.146 177.376 176.600 -0.616 0.000 0.996 653 E CA 1.088 56.886 56.400 -1.004 0.000 0.832 653 E CB -0.111 29.185 29.700 -0.674 0.000 0.756 653 E HN 0.623 nan 8.360 nan 0.000 0.491 654 E N -0.170 119.803 120.200 -0.379 0.000 2.437 654 E HA 0.116 4.467 4.350 0.001 0.000 0.195 654 E C -0.385 176.114 176.600 -0.170 0.000 1.029 654 E CA -0.242 56.014 56.400 -0.239 0.000 0.948 654 E CB 0.451 30.023 29.700 -0.213 0.000 1.082 654 E HN 0.111 nan 8.360 nan 0.000 0.456 655 C N 0.299 119.519 119.300 -0.133 0.000 2.397 655 C HA 0.322 4.783 4.460 0.001 0.000 0.343 655 C C 1.812 176.833 174.990 0.050 0.000 1.188 655 C CA -0.674 58.325 59.018 -0.032 0.000 1.992 655 C CB 1.210 28.968 27.740 0.028 0.000 2.358 655 C HN 0.429 nan 8.230 nan 0.000 0.518 656 R N 0.957 121.480 120.500 0.038 0.000 2.189 656 R HA -0.088 4.252 4.340 0.001 0.000 0.223 656 R C 1.890 178.260 176.300 0.116 0.000 1.092 656 R CA 1.530 57.669 56.100 0.065 0.000 0.989 656 R CB -0.119 30.181 30.300 0.001 0.000 0.876 656 R HN 0.868 nan 8.270 nan 0.000 0.457 657 S N -0.559 115.217 115.700 0.127 0.000 2.603 657 S HA -0.092 4.378 4.470 0.001 0.000 0.220 657 S C 1.521 176.250 174.600 0.215 0.000 0.967 657 S CA 0.009 58.298 58.200 0.148 0.000 0.920 657 S CB -0.286 62.994 63.200 0.134 0.000 0.773 657 S HN 0.336 nan 8.310 nan 0.000 0.529 658 Y N 3.886 124.239 120.300 0.089 0.000 2.151 658 Y HA -0.037 4.513 4.550 0.002 0.000 0.284 658 Y C -1.169 174.833 175.900 0.171 0.000 1.166 658 Y CA 1.118 59.292 58.100 0.123 0.000 1.163 658 Y CB -1.634 36.869 38.460 0.072 0.000 0.974 658 Y HN 0.251 nan 8.280 nan 0.000 0.511 659 P HA -0.209 nan 4.420 nan 0.000 0.216 659 P C 1.933 179.238 177.300 0.008 0.000 1.150 659 P CA 1.855 64.931 63.100 -0.040 0.000 0.843 659 P CB -0.144 31.569 31.700 0.023 0.000 0.787 660 L N -2.775 118.496 121.223 0.079 0.000 2.072 660 L HA -0.173 4.168 4.340 0.001 0.000 0.205 660 L C 2.570 179.546 176.870 0.176 0.000 1.079 660 L CA 1.352 56.276 54.840 0.140 0.000 0.752 660 L CB -0.834 41.298 42.059 0.122 0.000 0.906 660 L HN -0.039 nan 8.230 nan 0.000 0.436 661 Y N 0.932 121.257 120.300 0.041 0.000 2.145 661 Y HA -0.329 4.222 4.550 0.001 0.000 0.286 661 Y C 2.711 178.586 175.900 -0.042 0.000 1.145 661 Y CA 1.951 60.074 58.100 0.039 0.000 1.148 661 Y CB -0.080 38.449 38.460 0.114 0.000 0.981 661 Y HN -0.008 nan 8.280 nan 0.000 0.507 662 K N -0.516 119.800 120.400 -0.141 0.000 2.063 662 K HA -0.250 4.071 4.320 0.001 0.000 0.208 662 K C 2.120 178.633 176.600 -0.145 0.000 1.048 662 K CA 1.773 57.884 56.287 -0.293 0.000 0.928 662 K CB -0.633 31.510 32.500 -0.595 0.000 0.713 662 K HN 0.406 nan 8.250 nan 0.000 0.442 663 F N 1.093 120.934 119.950 -0.181 0.000 2.102 663 F HA -0.197 4.331 4.527 0.001 0.000 0.298 663 F C 1.763 177.498 175.800 -0.108 0.000 1.105 663 F CA 1.363 59.295 58.000 -0.113 0.000 1.239 663 F CB -0.514 38.442 39.000 -0.073 0.000 0.991 663 F HN -0.196 nan 8.300 nan 0.000 0.474 664 V N 0.464 120.196 119.914 -0.303 0.000 2.358 664 V HA -0.220 3.901 4.120 0.001 0.000 0.246 664 V C 2.521 178.405 176.094 -0.350 0.000 1.047 664 V CA 2.205 64.271 62.300 -0.390 0.000 1.035 664 V CB -0.689 31.046 31.823 -0.148 0.000 0.658 664 V HN 0.237 nan 8.190 nan 0.000 0.452 665 R N 0.295 120.555 120.500 -0.399 0.000 2.057 665 R HA 0.001 4.342 4.340 0.001 0.000 0.224 665 R C 2.310 178.472 176.300 -0.229 0.000 1.136 665 R CA 1.647 57.525 56.100 -0.371 0.000 0.968 665 R CB -0.415 29.451 30.300 -0.723 0.000 0.863 665 R HN 0.397 nan 8.270 nan 0.000 0.433 666 K N -0.189 120.088 120.400 -0.204 0.000 2.063 666 K HA -0.079 4.241 4.320 0.001 0.000 0.204 666 K C 1.955 178.495 176.600 -0.101 0.000 1.039 666 K CA 1.341 57.566 56.287 -0.104 0.000 0.957 666 K CB -0.039 32.431 32.500 -0.049 0.000 0.764 666 K HN 0.142 nan 8.250 nan 0.000 0.447 667 E N 0.745 120.874 120.200 -0.118 0.000 2.051 667 E HA -0.136 4.215 4.350 0.001 0.000 0.192 667 E C 1.894 178.398 176.600 -0.159 0.000 0.991 667 E CA 1.206 57.553 56.400 -0.088 0.000 0.799 667 E CB 0.005 29.712 29.700 0.012 0.000 0.748 667 E HN 0.287 nan 8.360 nan 0.000 0.449 668 L N -0.713 120.321 121.223 -0.316 0.000 2.509 668 L HA 0.231 4.571 4.340 0.001 0.000 0.222 668 L C 1.422 178.193 176.870 -0.164 0.000 1.123 668 L CA 0.332 55.003 54.840 -0.282 0.000 0.856 668 L CB -0.039 41.750 42.059 -0.449 0.000 0.985 668 L HN 0.490 nan 8.230 nan 0.000 0.456 669 G N 0.815 109.530 108.800 -0.142 0.000 2.198 669 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 669 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 669 G C 0.272 175.130 174.900 -0.070 0.000 1.025 669 G CA 0.396 45.445 45.100 -0.085 0.000 0.769 669 G HN 0.289 nan 8.290 nan 0.000 0.507 670 T N 0.868 115.365 114.554 -0.095 0.000 2.817 670 T HA 0.415 4.766 4.350 0.001 0.000 0.295 670 T C 0.469 175.161 174.700 -0.013 0.000 0.958 670 T CA 0.385 62.456 62.100 -0.048 0.000 1.157 670 T CB 1.374 70.214 68.868 -0.048 0.000 0.898 670 T HN 0.485 nan 8.240 nan 0.000 0.536 671 E N 1.175 121.387 120.200 0.020 0.000 2.227 671 E HA 0.284 4.635 4.350 0.001 0.000 0.268 671 E C -0.689 175.995 176.600 0.140 0.000 0.990 671 E CA -0.885 55.559 56.400 0.073 0.000 0.856 671 E CB 1.069 30.807 29.700 0.063 0.000 1.159 671 E HN 0.640 nan 8.360 nan 0.000 0.401 672 Y N 1.926 122.259 120.300 0.055 0.000 2.712 672 Y HA 0.025 4.575 4.550 0.001 0.000 0.333 672 Y C -0.760 175.177 175.900 0.062 0.000 1.225 672 Y CA 0.314 58.467 58.100 0.089 0.000 1.499 672 Y CB 0.272 38.789 38.460 0.095 0.000 1.288 672 Y HN 0.347 nan 8.280 nan 0.000 0.575 673 L N 6.590 127.659 121.223 -0.257 0.000 2.276 673 L HA 0.423 4.764 4.340 0.001 0.000 0.286 673 L C 0.092 176.758 176.870 -0.340 0.000 1.061 673 L CA -0.234 54.467 54.840 -0.233 0.000 0.807 673 L CB 1.361 43.297 42.059 -0.203 0.000 1.177 673 L HN 0.760 nan 8.230 nan 0.000 0.429 674 T N 1.072 115.539 114.554 -0.144 0.000 2.956 674 T HA 0.378 4.729 4.350 0.001 0.000 0.312 674 T C 0.854 175.535 174.700 -0.033 0.000 1.151 674 T CA -0.122 61.934 62.100 -0.074 0.000 1.024 674 T CB 1.631 70.543 68.868 0.074 0.000 1.140 674 T HN 0.660 nan 8.240 nan 0.000 0.473 675 G N 1.556 110.342 108.800 -0.022 0.000 2.679 675 G HA2 0.021 3.982 3.960 0.001 0.000 0.212 675 G HA3 0.021 3.982 3.960 0.001 0.000 0.212 675 G C 0.921 175.829 174.900 0.012 0.000 1.137 675 G CA 0.296 45.394 45.100 -0.003 0.000 0.787 675 G HN 0.848 nan 8.290 nan 0.000 0.534 676 E N -0.282 119.932 120.200 0.024 0.000 2.418 676 E HA 0.040 4.391 4.350 0.001 0.000 0.197 676 E C 0.611 177.227 176.600 0.026 0.000 1.026 676 E CA 0.487 56.906 56.400 0.032 0.000 0.862 676 E CB 0.198 29.927 29.700 0.048 0.000 0.799 676 E HN 0.372 nan 8.360 nan 0.000 0.518 677 K N -0.194 120.217 120.400 0.019 0.000 2.352 677 K HA 0.212 4.533 4.320 0.001 0.000 0.240 677 K C 0.810 177.406 176.600 -0.007 0.000 1.017 677 K CA -0.307 55.987 56.287 0.011 0.000 0.851 677 K CB 2.121 34.633 32.500 0.020 0.000 1.261 677 K HN -0.165 nan 8.250 nan 0.000 0.451 678 V N -2.503 117.404 119.914 -0.012 0.000 3.235 678 V HA 0.019 4.140 4.120 0.001 0.000 0.259 678 V C 0.578 176.648 176.094 -0.041 0.000 1.133 678 V CA 0.508 62.795 62.300 -0.022 0.000 1.128 678 V CB -0.089 31.723 31.823 -0.017 0.000 0.757 678 V HN 0.604 nan 8.190 nan 0.000 0.469 679 T N 3.403 117.929 114.554 -0.046 0.000 2.888 679 T HA 0.356 4.707 4.350 0.001 0.000 0.301 679 T C 0.502 175.133 174.700 -0.115 0.000 1.001 679 T CA 0.755 62.812 62.100 -0.072 0.000 1.147 679 T CB 0.674 69.505 68.868 -0.062 0.000 0.931 679 T HN 0.869 nan 8.240 nan 0.000 0.541 680 S N 3.493 119.108 115.700 -0.143 0.000 2.646 680 S HA 0.367 4.838 4.470 0.001 0.000 0.276 680 S C -1.918 172.480 174.600 -0.338 0.000 1.222 680 S CA -1.520 56.559 58.200 -0.202 0.000 1.014 680 S CB 1.239 64.340 63.200 -0.164 0.000 0.991 680 S HN 0.283 nan 8.310 nan 0.000 0.533 681 P HA 0.008 nan 4.420 nan 0.000 0.216 681 P C 1.733 178.303 177.300 -1.216 0.000 1.150 681 P CA 1.609 64.155 63.100 -0.923 0.000 0.837 681 P CB -0.452 30.677 31.700 -0.953 0.000 0.786 682 G N 0.117 108.514 108.800 -0.672 0.000 2.440 682 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 682 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 682 G C 1.440 176.207 174.900 -0.222 0.000 1.154 682 G CA 0.718 45.614 45.100 -0.341 0.000 0.767 682 G HN 0.287 nan 8.290 nan 0.000 0.552 683 E N 0.036 120.107 120.200 -0.215 0.000 2.118 683 E HA -0.125 4.226 4.350 0.001 0.000 0.195 683 E C 2.413 178.952 176.600 -0.101 0.000 0.992 683 E CA 1.210 57.538 56.400 -0.120 0.000 0.804 683 E CB -0.022 29.613 29.700 -0.108 0.000 0.741 683 E HN 0.415 nan 8.360 nan 0.000 0.458 684 E N -0.443 119.643 120.200 -0.189 0.000 2.170 684 E HA -0.061 4.290 4.350 0.001 0.000 0.191 684 E C 1.464 178.111 176.600 0.079 0.000 0.981 684 E CA 0.413 56.764 56.400 -0.082 0.000 0.830 684 E CB 0.010 29.652 29.700 -0.097 0.000 0.775 684 E HN 0.161 nan 8.360 nan 0.000 0.470 685 F N 1.631 121.603 119.950 0.037 0.000 2.161 685 F HA -0.152 4.375 4.527 0.001 0.000 0.300 685 F C 2.053 177.912 175.800 0.097 0.000 1.089 685 F CA 0.938 58.984 58.000 0.077 0.000 1.282 685 F CB -0.785 38.251 39.000 0.061 0.000 1.010 685 F HN 0.053 nan 8.300 nan 0.000 0.485 686 E N 0.877 121.211 120.200 0.224 0.000 2.085 686 E HA -0.210 4.141 4.350 0.001 0.000 0.194 686 E C 2.063 178.774 176.600 0.185 0.000 0.994 686 E CA 1.181 57.695 56.400 0.190 0.000 0.801 686 E CB -0.454 29.309 29.700 0.104 0.000 0.743 686 E HN 0.451 nan 8.360 nan 0.000 0.453 687 K N 0.388 120.860 120.400 0.120 0.000 2.032 687 K HA -0.103 4.218 4.320 0.001 0.000 0.209 687 K C 2.278 178.922 176.600 0.074 0.000 1.048 687 K CA 1.351 57.677 56.287 0.064 0.000 0.927 687 K CB -0.161 32.342 32.500 0.004 0.000 0.712 687 K HN -0.047 nan 8.250 nan 0.000 0.441 688 V N 0.601 120.591 119.914 0.126 0.000 2.488 688 V HA -0.173 3.947 4.120 0.001 0.000 0.246 688 V C 1.882 178.087 176.094 0.185 0.000 1.046 688 V CA 1.308 63.689 62.300 0.135 0.000 1.053 688 V CB -0.415 31.507 31.823 0.165 0.000 0.679 688 V HN 0.205 nan 8.190 nan 0.000 0.458 689 F N 0.704 120.707 119.950 0.088 0.000 2.113 689 F HA -0.146 4.382 4.527 0.001 0.000 0.297 689 F C 2.085 177.922 175.800 0.062 0.000 1.103 689 F CA 1.665 59.704 58.000 0.065 0.000 1.248 689 F CB -0.176 38.858 39.000 0.056 0.000 0.999 689 F HN 0.045 nan 8.300 nan 0.000 0.475 690 I N 0.099 120.746 120.570 0.129 0.000 2.226 690 I HA -0.307 3.864 4.170 0.001 0.000 0.245 690 I C 2.667 178.773 176.117 -0.018 0.000 1.100 690 I CA 1.201 62.518 61.300 0.029 0.000 1.374 690 I CB -0.914 37.147 38.000 0.102 0.000 1.057 690 I HN 0.228 nan 8.210 nan 0.000 0.413 691 A N 0.401 123.247 122.820 0.044 0.000 1.902 691 A HA -0.261 4.060 4.320 0.001 0.000 0.217 691 A C 2.409 180.032 177.584 0.066 0.000 1.181 691 A CA 1.780 53.880 52.037 0.105 0.000 0.623 691 A CB -0.651 18.480 19.000 0.217 0.000 0.818 691 A HN 0.432 nan 8.150 nan 0.000 0.443 692 M N -0.247 119.359 119.600 0.009 0.000 2.108 692 M HA -0.147 4.333 4.480 0.001 0.000 0.261 692 M C 1.926 178.136 176.300 -0.150 0.000 1.066 692 M CA 2.051 57.315 55.300 -0.060 0.000 1.107 692 M CB -0.078 32.470 32.600 -0.086 0.000 1.356 692 M HN 0.367 nan 8.290 nan 0.000 0.406 693 S N 0.097 115.640 115.700 -0.263 0.000 2.489 693 S HA -0.020 4.451 4.470 0.001 0.000 0.228 693 S C 1.409 175.948 174.600 -0.102 0.000 0.995 693 S CA 0.730 58.780 58.200 -0.250 0.000 0.934 693 S CB -0.105 62.849 63.200 -0.409 0.000 0.771 693 S HN 0.484 nan 8.310 nan 0.000 0.522 694 K N 0.537 120.901 120.400 -0.060 0.000 2.404 694 K HA 0.200 4.521 4.320 0.001 0.000 0.194 694 K C 1.175 177.769 176.600 -0.011 0.000 1.023 694 K CA 0.405 56.686 56.287 -0.010 0.000 1.094 694 K CB 0.214 32.725 32.500 0.018 0.000 0.841 694 K HN 0.374 nan 8.250 nan 0.000 0.523 695 G N 2.022 110.799 108.800 -0.039 0.000 2.148 695 G HA2 -0.309 3.651 3.960 0.001 0.000 0.254 695 G HA3 -0.309 3.651 3.960 0.001 0.000 0.254 695 G C 0.492 175.343 174.900 -0.081 0.000 0.981 695 G CA 0.481 45.539 45.100 -0.070 0.000 0.670 695 G HN 0.472 nan 8.290 nan 0.000 0.528 696 E N -0.728 119.449 120.200 -0.039 0.000 2.418 696 E HA 0.170 4.521 4.350 0.001 0.000 0.197 696 E C 2.243 178.613 176.600 -0.384 0.000 1.026 696 E CA 0.576 56.933 56.400 -0.072 0.000 0.862 696 E CB 0.166 29.964 29.700 0.164 0.000 0.799 696 E HN 0.675 nan 8.360 nan 0.000 0.518 697 I N 0.707 121.106 120.570 -0.286 0.000 3.251 697 I HA -0.118 4.053 4.170 0.001 0.000 0.277 697 I C 1.732 177.647 176.117 -0.336 0.000 1.268 697 I CA 0.319 61.365 61.300 -0.422 0.000 1.449 697 I CB 0.231 38.176 38.000 -0.092 0.000 1.083 697 I HN 0.086 nan 8.210 nan 0.000 0.464 698 I N 0.704 121.127 120.570 -0.245 0.000 2.142 698 I HA -0.316 3.855 4.170 0.001 0.000 0.240 698 I C 1.989 177.997 176.117 -0.182 0.000 1.078 698 I CA 1.426 62.615 61.300 -0.186 0.000 1.343 698 I CB -0.478 37.428 38.000 -0.156 0.000 1.046 698 I HN 0.216 nan 8.210 nan 0.000 0.405 699 D N 0.753 121.030 120.400 -0.205 0.000 2.084 699 D HA -0.117 4.524 4.640 0.001 0.000 0.194 699 D C -0.489 175.711 176.300 -0.166 0.000 0.990 699 D CA 1.507 55.412 54.000 -0.158 0.000 0.826 699 D CB -1.734 38.985 40.800 -0.136 0.000 0.971 699 D HN 0.288 nan 8.370 nan 0.000 0.453 700 P HA -0.112 nan 4.420 nan 0.000 0.217 700 P C 1.932 179.166 177.300 -0.110 0.000 1.150 700 P CA 0.710 63.694 63.100 -0.193 0.000 0.832 700 P CB 0.075 31.586 31.700 -0.314 0.000 0.787 701 L N 0.019 121.162 121.223 -0.132 0.000 1.970 701 L HA -0.151 4.190 4.340 0.001 0.000 0.212 701 L C 2.510 179.359 176.870 -0.035 0.000 1.071 701 L CA 1.875 56.676 54.840 -0.065 0.000 0.751 701 L CB -1.588 40.424 42.059 -0.079 0.000 0.889 701 L HN -0.177 nan 8.230 nan 0.000 0.432 702 L N -0.687 120.507 121.223 -0.049 0.000 2.201 702 L HA -0.175 4.166 4.340 0.001 0.000 0.212 702 L C 2.544 179.420 176.870 0.010 0.000 1.105 702 L CA 1.334 56.163 54.840 -0.019 0.000 0.775 702 L CB -0.634 41.405 42.059 -0.033 0.000 0.913 702 L HN 0.473 nan 8.230 nan 0.000 0.440 703 E N -0.100 120.101 120.200 0.000 0.000 2.153 703 E HA -0.234 4.117 4.350 0.001 0.000 0.194 703 E C 2.247 178.888 176.600 0.067 0.000 0.988 703 E CA 1.295 57.712 56.400 0.029 0.000 0.811 703 E CB 0.016 29.726 29.700 0.015 0.000 0.746 703 E HN 0.560 nan 8.360 nan 0.000 0.466 704 C N 0.152 119.490 119.300 0.064 0.000 2.419 704 C HA -0.073 4.388 4.460 0.001 0.000 0.281 704 C C 2.094 177.172 174.990 0.147 0.000 1.336 704 C CA 0.507 59.584 59.018 0.098 0.000 1.770 704 C CB -0.671 27.115 27.740 0.076 0.000 1.929 704 C HN 0.438 nan 8.230 nan 0.000 0.509 705 L N 0.645 121.939 121.223 0.120 0.000 2.808 705 L HA 0.095 4.436 4.340 0.001 0.000 0.246 705 L C 2.290 179.232 176.870 0.120 0.000 1.153 705 L CA 0.243 55.157 54.840 0.124 0.000 0.956 705 L CB -0.517 41.587 42.059 0.076 0.000 1.270 705 L HN 0.463 nan 8.230 nan 0.000 0.528 706 E N 0.381 120.653 120.200 0.120 0.000 2.268 706 E HA -0.180 4.171 4.350 0.001 0.000 0.195 706 E C 1.827 178.484 176.600 0.096 0.000 0.995 706 E CA 1.360 57.813 56.400 0.089 0.000 0.836 706 E CB -0.035 29.706 29.700 0.068 0.000 0.763 706 E HN 0.401 nan 8.360 nan 0.000 0.491 707 S N -0.362 115.436 115.700 0.162 0.000 2.593 707 S HA -0.036 4.435 4.470 0.001 0.000 0.217 707 S C 0.148 174.843 174.600 0.157 0.000 0.966 707 S CA -0.730 57.579 58.200 0.182 0.000 0.914 707 S CB -0.457 62.895 63.200 0.254 0.000 0.776 707 S HN 0.447 nan 8.310 nan 0.000 0.523 708 W N 4.832 125.930 121.300 -0.336 0.000 2.266 708 W HA 0.418 5.079 4.660 0.001 0.000 0.317 708 W C 0.585 176.980 176.519 -0.205 0.000 1.310 708 W CA -1.073 55.928 57.345 -0.573 0.000 1.207 708 W CB 0.428 29.343 29.460 -0.908 0.000 1.199 708 W HN 0.342 nan 8.180 nan 0.000 0.544 709 N N 3.454 121.889 118.700 -0.443 0.000 2.398 709 N HA 0.090 4.830 4.740 0.001 0.000 0.188 709 N C 1.221 176.257 175.510 -0.790 0.000 1.122 709 N CA 0.668 53.447 53.050 -0.450 0.000 0.866 709 N CB -0.027 38.340 38.487 -0.199 0.000 0.970 709 N HN 0.837 nan 8.380 nan 0.000 0.462 710 G N -1.809 105.909 108.800 -1.804 0.000 2.157 710 G HA2 -0.067 3.894 3.960 0.001 0.000 0.248 710 G HA3 -0.067 3.894 3.960 0.001 0.000 0.248 710 G C 0.030 174.402 174.900 -0.880 0.000 0.979 710 G CA 0.178 44.190 45.100 -1.813 0.000 0.650 710 G HN 0.862 nan 8.290 nan 0.000 0.529 711 A N 0.231 122.778 122.820 -0.455 0.000 2.380 711 A HA 0.967 5.288 4.320 0.001 0.000 0.315 711 A C -2.219 175.594 177.584 0.381 0.000 1.101 711 A CA -1.230 50.835 52.037 0.046 0.000 0.771 711 A CB 2.088 21.086 19.000 -0.003 0.000 1.287 711 A HN 0.184 nan 8.150 nan 0.000 0.436 712 P HA 0.329 nan 4.420 nan 0.000 0.274 712 P C -0.553 176.909 177.300 0.271 0.000 1.256 712 P CA -0.264 63.074 63.100 0.395 0.000 0.795 712 P CB 0.501 32.581 31.700 0.634 0.000 1.038 713 L N 1.577 122.925 121.223 0.208 0.000 2.461 713 L HA 0.206 4.547 4.340 0.001 0.000 0.272 713 L C -1.728 175.189 176.870 0.077 0.000 1.197 713 L CA -1.740 53.176 54.840 0.126 0.000 0.836 713 L CB -0.626 41.485 42.059 0.088 0.000 1.105 713 L HN 0.280 nan 8.230 nan 0.000 0.477 714 P HA 0.063 nan 4.420 nan 0.000 0.271 714 P C 0.307 177.595 177.300 -0.019 0.000 1.218 714 P CA -0.009 63.086 63.100 -0.009 0.000 0.780 714 P CB 0.550 32.246 31.700 -0.007 0.000 0.901 715 I N -1.749 118.790 120.570 -0.053 0.000 4.240 715 I HA 0.160 4.331 4.170 0.001 0.000 0.331 715 I C 0.587 176.676 176.117 -0.046 0.000 1.381 715 I CA -0.504 60.768 61.300 -0.047 0.000 1.136 715 I CB -0.561 37.399 38.000 -0.066 0.000 1.137 715 I HN 0.160 nan 8.210 nan 0.000 0.411 716 C N 0.000 119.272 119.300 -0.047 0.000 2.653 716 C HA 0.000 4.461 4.460 0.001 0.000 0.325 716 C CA 0.000 58.994 59.018 -0.040 0.000 1.963 716 C CB 0.000 27.720 27.740 -0.034 0.000 2.134 716 C HN 0.000 nan 8.230 nan 0.000 0.568