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 2h2j_1_B DATA FIRST_RESID 49 DATA SEQUENCE SLSPAVQTFW KWLQEEGVIT AKTPVKASVV TEGLGLVALK DISRNDVILQ DATA SEQUENCE VPKRLWINPD AVAASEIGRV CSELKPWLSV ILFLIRERSR EDSVWKHYFG DATA SEQUENCE ILPQETDSTI YWSEEELQEL QGSQLLKTTV SVKEYVKNEC LKLEQEIILP DATA SEQUENCE NKRLFPDPVT LDDFFWAFGI LRSRAFSRLR NENLVVVPMA DLINHSAGVT DATA SEQUENCE TEDHAYEVKG AAGLFSWDYL FSLKSPLSVK AGEQVYIQYD LNKSNAELAL DATA SEQUENCE DYGFIEPNEN RHAYTLTLEI SESDPFFDDK LDVAESNGFA QTAYFDIFYN DATA SEQUENCE RTLPPGLLPY LRLVALGGTD AFLLESLFRD TIWGHLELSV SRDNEELLCK DATA SEQUENCE AVREACKSAL AGYHTTIEQD RELKEGNLDS RLAIAVGIRE GEKMVLQQID DATA SEQUENCE GIFEQKELEL DQLEYYQERR LKDLGLCGEN GDILENLYF 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.615 174.600 0.026 0.000 1.055 49 S CA 0.000 58.212 58.200 0.020 0.000 1.107 49 S CB 0.000 63.211 63.200 0.018 0.000 0.593 50 L N 1.802 123.037 121.223 0.020 0.000 1.950 50 L HA -0.018 4.322 4.340 -0.000 0.000 0.210 50 L C 2.197 179.084 176.870 0.029 0.000 1.079 50 L CA 1.888 56.741 54.840 0.022 0.000 0.754 50 L CB -0.539 41.526 42.059 0.011 0.000 0.889 50 L HN 0.288 nan 8.230 nan 0.000 0.433 51 S N 0.385 116.095 115.700 0.018 0.000 2.399 51 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 51 S C -0.709 173.916 174.600 0.040 0.000 1.063 51 S CA 2.170 60.380 58.200 0.017 0.000 1.070 51 S CB -1.542 61.661 63.200 0.006 0.000 0.904 51 S HN 0.537 nan 8.310 nan 0.000 0.456 52 P HA 0.047 nan 4.420 nan 0.000 0.217 52 P C 1.325 178.677 177.300 0.087 0.000 1.154 52 P CA 1.449 64.584 63.100 0.059 0.000 0.841 52 P CB -0.108 31.620 31.700 0.047 0.000 0.788 53 A N 0.088 122.962 122.820 0.089 0.000 1.930 53 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 53 A C 2.457 180.151 177.584 0.183 0.000 1.175 53 A CA 1.582 53.693 52.037 0.123 0.000 0.627 53 A CB -1.592 17.465 19.000 0.094 0.000 0.815 53 A HN 0.052 nan 8.150 nan 0.000 0.443 54 V N -0.195 119.814 119.914 0.159 0.000 2.427 54 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 54 V C 2.635 178.921 176.094 0.320 0.000 1.051 54 V CA 2.105 64.546 62.300 0.235 0.000 1.048 54 V CB -0.751 31.139 31.823 0.112 0.000 0.666 54 V HN 0.718 nan 8.190 nan 0.000 0.456 55 Q N -0.183 119.737 119.800 0.199 0.000 2.084 55 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 55 Q C 2.287 178.427 176.000 0.234 0.000 0.978 55 Q CA 2.196 58.116 55.803 0.195 0.000 0.844 55 Q CB -0.129 28.674 28.738 0.109 0.000 0.898 55 Q HN 0.681 nan 8.270 nan 0.000 0.426 56 T N 0.519 115.185 114.554 0.187 0.000 2.708 56 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 56 T C 1.282 176.087 174.700 0.175 0.000 1.037 56 T CA 1.283 63.436 62.100 0.087 0.000 1.146 56 T CB -0.464 68.424 68.868 0.033 0.000 0.865 56 T HN 0.332 nan 8.240 nan 0.000 0.435 57 F N 0.469 120.551 119.950 0.220 0.000 2.095 57 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 57 F C 2.221 178.305 175.800 0.474 0.000 1.104 57 F CA 1.033 59.275 58.000 0.405 0.000 1.232 57 F CB -0.389 38.872 39.000 0.435 0.000 0.987 57 F HN 0.246 nan 8.300 nan 0.000 0.475 58 W N 1.292 122.708 121.300 0.193 0.000 2.381 58 W HA -0.195 4.465 4.660 -0.000 0.000 0.301 58 W C 2.473 178.986 176.519 -0.011 0.000 1.205 58 W CA 1.595 58.962 57.345 0.037 0.000 1.285 58 W CB -0.345 29.179 29.460 0.107 0.000 1.133 58 W HN 0.055 nan 8.180 nan 0.000 0.521 59 K N -0.359 120.170 120.400 0.216 0.000 2.147 59 K HA -0.256 4.064 4.320 -0.000 0.000 0.205 59 K C 1.912 178.532 176.600 0.035 0.000 1.049 59 K CA 1.871 58.215 56.287 0.095 0.000 0.936 59 K CB -0.801 31.753 32.500 0.090 0.000 0.722 59 K HN 0.100 nan 8.250 nan 0.000 0.446 60 W N 1.324 122.535 121.300 -0.147 0.000 2.379 60 W HA -0.113 4.547 4.660 -0.000 0.000 0.307 60 W C 1.241 177.634 176.519 -0.210 0.000 1.200 60 W CA 1.102 58.360 57.345 -0.145 0.000 1.297 60 W CB -0.332 29.093 29.460 -0.057 0.000 1.140 60 W HN -0.043 nan 8.180 nan 0.000 0.507 61 L N 0.743 121.627 121.223 -0.564 0.000 2.362 61 L HA -0.188 4.152 4.340 -0.000 0.000 0.219 61 L C 2.437 178.941 176.870 -0.610 0.000 1.134 61 L CA 1.119 55.447 54.840 -0.855 0.000 0.807 61 L CB -0.672 40.842 42.059 -0.909 0.000 0.927 61 L HN 0.181 nan 8.230 nan 0.000 0.447 62 Q N -0.307 119.238 119.800 -0.425 0.000 2.123 62 Q HA -0.153 4.187 4.340 -0.000 0.000 0.196 62 Q C 1.990 177.849 176.000 -0.235 0.000 0.958 62 Q CA 1.043 56.675 55.803 -0.285 0.000 0.841 62 Q CB 0.085 28.728 28.738 -0.158 0.000 0.915 62 Q HN 0.506 nan 8.270 nan 0.000 0.455 63 E N 0.719 120.788 120.200 -0.218 0.000 2.051 63 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 63 E C 1.810 178.269 176.600 -0.234 0.000 0.991 63 E CA 0.763 57.065 56.400 -0.164 0.000 0.799 63 E CB 0.127 29.780 29.700 -0.079 0.000 0.748 63 E HN 0.203 nan 8.360 nan 0.000 0.449 64 E N -0.492 119.460 120.200 -0.413 0.000 2.401 64 E HA -0.119 4.231 4.350 -0.000 0.000 0.199 64 E C 1.278 177.695 176.600 -0.306 0.000 1.023 64 E CA 0.949 57.092 56.400 -0.429 0.000 0.859 64 E CB 0.040 29.290 29.700 -0.749 0.000 0.780 64 E HN 0.455 nan 8.360 nan 0.000 0.523 65 G N 0.113 108.747 108.800 -0.278 0.000 2.141 65 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 65 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 65 G C 1.108 175.883 174.900 -0.208 0.000 0.982 65 G CA 0.477 45.458 45.100 -0.198 0.000 0.662 65 G HN 0.250 nan 8.290 nan 0.000 0.527 66 V N 0.229 119.966 119.914 -0.295 0.000 2.535 66 V HA 0.243 4.363 4.120 -0.000 0.000 0.246 66 V C 1.543 177.478 176.094 -0.264 0.000 1.045 66 V CA 0.980 63.119 62.300 -0.268 0.000 1.058 66 V CB -0.128 31.484 31.823 -0.350 0.000 0.689 66 V HN 0.403 nan 8.190 nan 0.000 0.461 67 I N 1.765 122.132 120.570 -0.337 0.000 2.359 67 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 67 I C 0.286 176.291 176.117 -0.186 0.000 0.987 67 I CA 0.463 61.573 61.300 -0.317 0.000 1.225 67 I CB 1.159 38.833 38.000 -0.543 0.000 1.366 67 I HN 0.378 nan 8.210 nan 0.000 0.466 68 T N 1.576 116.067 114.554 -0.105 0.000 2.804 68 T HA 0.595 4.945 4.350 -0.000 0.000 0.290 68 T C 0.788 175.482 174.700 -0.010 0.000 1.099 68 T CA -0.263 61.804 62.100 -0.056 0.000 1.011 68 T CB 1.712 70.552 68.868 -0.046 0.000 1.291 68 T HN 0.464 nan 8.240 nan 0.000 0.523 69 A N -0.073 122.749 122.820 0.003 0.000 2.172 69 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 69 A C 2.027 179.628 177.584 0.027 0.000 1.154 69 A CA 0.955 53.006 52.037 0.024 0.000 0.701 69 A CB -0.790 18.221 19.000 0.019 0.000 0.789 69 A HN 0.777 nan 8.150 nan 0.000 0.465 70 K N -0.369 120.041 120.400 0.016 0.000 2.305 70 K HA 0.010 4.330 4.320 -0.000 0.000 0.199 70 K C -0.085 176.534 176.600 0.032 0.000 1.047 70 K CA 0.354 56.653 56.287 0.020 0.000 0.976 70 K CB -0.003 32.503 32.500 0.010 0.000 0.765 70 K HN 0.347 nan 8.250 nan 0.000 0.474 71 T N 4.153 118.728 114.554 0.036 0.000 2.792 71 T HA 0.007 4.357 4.350 -0.000 0.000 0.286 71 T C -1.628 173.128 174.700 0.094 0.000 0.970 71 T CA -0.755 61.381 62.100 0.061 0.000 1.187 71 T CB 0.873 69.778 68.868 0.061 0.000 0.915 71 T HN 0.159 nan 8.240 nan 0.000 0.529 72 P HA 0.206 nan 4.420 nan 0.000 0.253 72 P C 0.019 177.378 177.300 0.098 0.000 1.260 72 P CA 0.195 63.343 63.100 0.080 0.000 0.800 72 P CB 0.459 32.196 31.700 0.061 0.000 1.162 73 V N 0.370 120.374 119.914 0.151 0.000 2.925 73 V HA 0.510 4.630 4.120 -0.000 0.000 0.311 73 V C -0.756 175.502 176.094 0.273 0.000 1.104 73 V CA -0.899 61.502 62.300 0.168 0.000 0.954 73 V CB 2.968 34.890 31.823 0.165 0.000 1.022 73 V HN 0.078 nan 8.190 nan 0.000 0.427 74 K N 4.331 124.796 120.400 0.107 0.000 2.395 74 K HA 0.951 5.271 4.320 -0.000 0.000 0.245 74 K C -0.722 175.683 176.600 -0.324 0.000 1.017 74 K CA -0.666 55.534 56.287 -0.145 0.000 0.852 74 K CB 2.184 34.556 32.500 -0.213 0.000 1.311 74 K HN 0.829 nan 8.250 nan 0.000 0.452 75 A N 0.604 122.964 122.820 -0.767 0.000 2.331 75 A HA 0.521 4.841 4.320 -0.000 0.000 0.283 75 A C -0.537 176.890 177.584 -0.261 0.000 1.142 75 A CA -0.372 51.411 52.037 -0.422 0.000 0.812 75 A CB 0.698 19.428 19.000 -0.450 0.000 1.074 75 A HN 0.624 nan 8.150 nan 0.000 0.497 76 S N 1.029 116.647 115.700 -0.137 0.000 2.588 76 S HA 0.538 5.008 4.470 -0.000 0.000 0.275 76 S C -1.094 173.470 174.600 -0.060 0.000 1.130 76 S CA -0.474 57.666 58.200 -0.100 0.000 0.855 76 S CB 1.459 64.605 63.200 -0.090 0.000 1.116 76 S HN 0.851 nan 8.310 nan 0.000 0.472 77 V N 3.661 123.547 119.914 -0.046 0.000 2.432 77 V HA 0.511 4.631 4.120 -0.000 0.000 0.271 77 V C -0.091 175.989 176.094 -0.023 0.000 1.046 77 V CA 0.018 62.302 62.300 -0.026 0.000 0.945 77 V CB 0.899 32.710 31.823 -0.020 0.000 0.992 77 V HN 0.701 nan 8.190 nan 0.000 0.471 78 V N 4.055 123.960 119.914 -0.015 0.000 3.126 78 V HA 0.290 4.410 4.120 -0.000 0.000 0.314 78 V C 1.268 177.364 176.094 0.004 0.000 1.138 78 V CA -0.231 62.062 62.300 -0.011 0.000 1.034 78 V CB 2.216 34.024 31.823 -0.026 0.000 1.075 78 V HN 0.838 nan 8.190 nan 0.000 0.442 79 T N 1.369 115.929 114.554 0.011 0.000 2.699 79 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 79 T C 1.341 176.051 174.700 0.017 0.000 1.036 79 T CA 2.133 64.242 62.100 0.014 0.000 1.147 79 T CB -0.155 68.723 68.868 0.017 0.000 0.862 79 T HN 0.858 nan 8.240 nan 0.000 0.446 80 E N 0.998 121.209 120.200 0.018 0.000 2.494 80 E HA 0.290 4.640 4.350 -0.000 0.000 0.193 80 E C 1.346 177.967 176.600 0.034 0.000 1.074 80 E CA 0.573 56.982 56.400 0.016 0.000 0.867 80 E CB -0.088 29.610 29.700 -0.003 0.000 0.924 80 E HN 0.565 nan 8.360 nan 0.000 0.502 81 G N 1.053 109.870 108.800 0.028 0.000 2.713 81 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 81 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 81 G C -0.761 174.150 174.900 0.019 0.000 1.265 81 G CA -0.318 44.800 45.100 0.031 0.000 1.204 81 G HN 0.158 nan 8.290 nan 0.000 0.545 82 L N 1.539 122.778 121.223 0.026 0.000 2.344 82 L HA 0.766 5.106 4.340 -0.000 0.000 0.272 82 L C 0.866 177.750 176.870 0.023 0.000 1.035 82 L CA -0.007 54.844 54.840 0.018 0.000 0.807 82 L CB 1.767 43.841 42.059 0.025 0.000 1.237 82 L HN 1.266 nan 8.230 nan 0.000 0.442 83 G N 1.447 110.248 108.800 0.003 0.000 2.649 83 G HA2 0.537 4.497 3.960 -0.000 0.000 0.290 83 G HA3 0.537 4.497 3.960 -0.000 0.000 0.290 83 G C -1.784 173.107 174.900 -0.016 0.000 1.426 83 G CA -0.755 44.336 45.100 -0.016 0.000 0.794 83 G HN 0.349 nan 8.290 nan 0.000 0.483 84 L N 0.555 121.765 121.223 -0.021 0.000 2.289 84 L HA 0.642 4.982 4.340 -0.000 0.000 0.285 84 L C -0.240 176.595 176.870 -0.058 0.000 1.049 84 L CA -0.970 53.877 54.840 0.012 0.000 0.804 84 L CB 1.613 43.724 42.059 0.087 0.000 1.195 84 L HN 0.179 nan 8.230 nan 0.000 0.428 85 V N 2.075 121.963 119.914 -0.043 0.000 2.715 85 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 85 V C 0.291 176.376 176.094 -0.015 0.000 1.054 85 V CA -0.785 61.483 62.300 -0.054 0.000 0.928 85 V CB 1.965 33.749 31.823 -0.064 0.000 1.007 85 V HN 0.867 nan 8.190 nan 0.000 0.437 86 A N 3.999 126.811 122.820 -0.013 0.000 2.409 86 A HA 0.512 4.832 4.320 -0.000 0.000 0.267 86 A C 0.749 178.341 177.584 0.014 0.000 1.127 86 A CA -0.105 51.938 52.037 0.011 0.000 0.795 86 A CB 0.065 19.070 19.000 0.009 0.000 1.061 86 A HN 0.903 nan 8.150 nan 0.000 0.502 87 L N 1.340 122.581 121.223 0.030 0.000 2.375 87 L HA 0.093 4.433 4.340 -0.000 0.000 0.215 87 L C 1.125 178.010 176.870 0.025 0.000 1.108 87 L CA 0.984 55.841 54.840 0.028 0.000 0.830 87 L CB -0.290 41.797 42.059 0.047 0.000 0.959 87 L HN 0.890 nan 8.230 nan 0.000 0.457 88 K N -2.125 118.291 120.400 0.027 0.000 2.495 88 K HA 0.397 4.717 4.320 -0.000 0.000 0.268 88 K C -1.357 175.257 176.600 0.022 0.000 1.008 88 K CA -0.989 55.312 56.287 0.023 0.000 0.882 88 K CB 1.100 33.616 32.500 0.026 0.000 1.443 88 K HN -0.359 nan 8.250 nan 0.000 0.447 89 D N 0.931 121.343 120.400 0.020 0.000 2.450 89 D HA 0.195 4.835 4.640 -0.000 0.000 0.247 89 D C -0.480 175.834 176.300 0.023 0.000 1.162 89 D CA 0.302 54.313 54.000 0.019 0.000 0.879 89 D CB 0.311 41.121 40.800 0.017 0.000 1.163 89 D HN 0.365 nan 8.370 nan 0.000 0.472 90 I N 1.371 121.956 120.570 0.026 0.000 2.525 90 I HA 0.228 4.398 4.170 -0.000 0.000 0.301 90 I C 0.366 176.501 176.117 0.030 0.000 0.992 90 I CA -0.587 60.731 61.300 0.031 0.000 1.162 90 I CB 1.661 39.683 38.000 0.036 0.000 1.332 90 I HN 0.142 nan 8.210 nan 0.000 0.458 91 S N 3.877 119.595 115.700 0.030 0.000 2.593 91 S HA 0.404 4.874 4.470 -0.000 0.000 0.297 91 S C -0.136 174.484 174.600 0.033 0.000 1.112 91 S CA -0.723 57.493 58.200 0.028 0.000 1.043 91 S CB 1.421 64.634 63.200 0.022 0.000 1.054 91 S HN 0.519 nan 8.310 nan 0.000 0.516 92 R N 2.063 122.581 120.500 0.030 0.000 2.488 92 R HA -0.031 4.309 4.340 -0.000 0.000 0.317 92 R C -0.187 176.133 176.300 0.033 0.000 0.941 92 R CA 0.733 56.854 56.100 0.035 0.000 1.076 92 R CB -0.435 29.882 30.300 0.028 0.000 0.917 92 R HN 0.749 nan 8.270 nan 0.000 0.407 93 N N 1.739 120.466 118.700 0.045 0.000 3.016 93 N HA -0.163 4.577 4.740 -0.000 0.000 0.223 93 N C -1.307 174.234 175.510 0.051 0.000 0.922 93 N CA 1.025 54.101 53.050 0.044 0.000 0.998 93 N CB -0.742 37.757 38.487 0.020 0.000 1.064 93 N HN 0.671 nan 8.380 nan 0.000 0.566 94 D N 1.064 121.495 120.400 0.052 0.000 2.345 94 D HA 0.232 4.872 4.640 -0.000 0.000 0.247 94 D C 0.693 177.036 176.300 0.070 0.000 1.108 94 D CA -0.041 53.991 54.000 0.054 0.000 0.894 94 D CB 1.350 42.177 40.800 0.046 0.000 1.203 94 D HN -0.110 nan 8.370 nan 0.000 0.430 95 V N 3.123 123.081 119.914 0.073 0.000 2.715 95 V HA 0.067 4.187 4.120 -0.000 0.000 0.299 95 V C 1.602 177.731 176.094 0.059 0.000 1.054 95 V CA 0.028 62.373 62.300 0.075 0.000 1.077 95 V CB 0.950 32.816 31.823 0.072 0.000 0.972 95 V HN 0.488 nan 8.190 nan 0.000 0.484 96 I N 3.592 124.198 120.570 0.060 0.000 3.616 96 I HA 0.234 4.404 4.170 -0.000 0.000 0.296 96 I C 0.009 176.165 176.117 0.064 0.000 1.226 96 I CA 0.663 62.005 61.300 0.070 0.000 1.394 96 I CB 0.730 38.784 38.000 0.089 0.000 1.171 96 I HN 0.642 nan 8.210 nan 0.000 0.442 97 L N -1.908 119.342 121.223 0.045 0.000 2.794 97 L HA 0.554 4.894 4.340 -0.000 0.000 0.261 97 L C -1.626 175.249 176.870 0.008 0.000 0.989 97 L CA -0.640 54.218 54.840 0.029 0.000 0.900 97 L CB 1.626 43.721 42.059 0.059 0.000 1.473 97 L HN -0.118 nan 8.230 nan 0.000 0.414 98 Q N 0.857 120.659 119.800 0.003 0.000 2.263 98 Q HA 0.772 5.112 4.340 -0.000 0.000 0.266 98 Q C -1.655 174.386 176.000 0.069 0.000 1.002 98 Q CA -0.810 55.003 55.803 0.017 0.000 0.790 98 Q CB 3.210 31.934 28.738 -0.023 0.000 1.272 98 Q HN 0.584 nan 8.270 nan 0.000 0.435 99 V N 3.417 123.455 119.914 0.206 0.000 2.513 99 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 99 V C -2.191 174.159 176.094 0.427 0.000 1.035 99 V CA -1.989 60.480 62.300 0.282 0.000 0.889 99 V CB 1.597 33.627 31.823 0.345 0.000 0.988 99 V HN 0.632 nan 8.190 nan 0.000 0.440 100 P HA 0.171 nan 4.420 nan 0.000 0.279 100 P C 0.297 177.082 177.300 -0.859 0.000 1.239 100 P CA -0.427 62.572 63.100 -0.169 0.000 0.789 100 P CB 1.330 32.964 31.700 -0.110 0.000 0.933 101 K N 3.180 122.802 120.400 -1.297 0.000 2.286 101 K HA -0.197 4.122 4.320 -0.000 0.000 0.203 101 K C 2.022 177.972 176.600 -1.084 0.000 1.045 101 K CA 1.076 56.034 56.287 -2.215 0.000 0.935 101 K CB -0.124 31.736 32.500 -1.068 0.000 0.737 101 K HN 0.292 nan 8.250 nan 0.000 0.460 102 R N 0.706 120.913 120.500 -0.488 0.000 2.200 102 R HA -0.123 4.216 4.340 -0.000 0.000 0.234 102 R C 1.074 177.349 176.300 -0.041 0.000 1.127 102 R CA 1.223 57.224 56.100 -0.164 0.000 0.989 102 R CB -0.057 30.188 30.300 -0.092 0.000 0.869 102 R HN 0.279 nan 8.270 nan 0.000 0.459 103 L N -0.289 120.936 121.223 0.004 0.000 2.818 103 L HA 0.265 4.605 4.340 -0.000 0.000 0.243 103 L C 0.276 177.743 176.870 0.994 0.000 1.185 103 L CA -0.609 54.499 54.840 0.448 0.000 0.988 103 L CB -0.006 42.246 42.059 0.321 0.000 1.292 103 L HN 0.144 nan 8.230 nan 0.000 0.519 104 W N 0.589 122.092 121.300 0.339 0.000 2.030 104 W HA 0.429 5.089 4.660 -0.000 0.000 0.360 104 W C 0.038 176.540 176.519 -0.028 0.000 1.370 104 W CA -0.776 56.632 57.345 0.104 0.000 1.433 104 W CB 1.149 30.636 29.460 0.045 0.000 1.204 104 W HN -0.166 nan 8.180 nan 0.000 0.649 105 I N 3.162 123.770 120.570 0.063 0.000 2.595 105 I HA 0.073 4.243 4.170 -0.000 0.000 0.276 105 I C -0.747 175.305 176.117 -0.108 0.000 1.109 105 I CA -0.561 60.614 61.300 -0.208 0.000 1.084 105 I CB 0.410 38.185 38.000 -0.376 0.000 1.206 105 I HN 0.407 nan 8.210 nan 0.000 0.486 106 N N 5.040 123.693 118.700 -0.079 0.000 2.774 106 N HA 0.540 5.280 4.740 -0.000 0.000 0.264 106 N C -2.725 172.744 175.510 -0.068 0.000 1.415 106 N CA -2.071 50.964 53.050 -0.026 0.000 0.815 106 N CB 1.252 39.786 38.487 0.078 0.000 1.514 106 N HN -0.127 nan 8.380 nan 0.000 0.523 107 P HA -0.155 nan 4.420 nan 0.000 0.218 107 P C 0.374 177.662 177.300 -0.020 0.000 1.152 107 P CA 1.585 64.677 63.100 -0.014 0.000 0.857 107 P CB 0.190 31.908 31.700 0.031 0.000 0.787 108 D N -1.108 119.302 120.400 0.016 0.000 2.117 108 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 108 D C 1.993 178.289 176.300 -0.006 0.000 0.982 108 D CA 1.503 55.521 54.000 0.030 0.000 0.828 108 D CB -0.641 40.204 40.800 0.074 0.000 0.967 108 D HN 0.086 nan 8.370 nan 0.000 0.464 109 A N 0.991 123.778 122.820 -0.056 0.000 1.933 109 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 109 A C 2.495 179.929 177.584 -0.251 0.000 1.175 109 A CA 1.907 53.874 52.037 -0.116 0.000 0.628 109 A CB -0.736 18.168 19.000 -0.159 0.000 0.814 109 A HN 0.242 nan 8.150 nan 0.000 0.444 110 V N -2.439 117.244 119.914 -0.385 0.000 2.323 110 V HA -0.009 4.111 4.120 -0.000 0.000 0.244 110 V C 2.523 178.645 176.094 0.046 0.000 1.041 110 V CA 1.729 63.895 62.300 -0.223 0.000 1.025 110 V CB -1.522 30.236 31.823 -0.109 0.000 0.656 110 V HN 0.499 nan 8.190 nan 0.000 0.451 111 A N 0.823 123.654 122.820 0.018 0.000 1.986 111 A HA 0.060 4.379 4.320 -0.000 0.000 0.220 111 A C 2.260 179.885 177.584 0.067 0.000 1.171 111 A CA 2.244 54.312 52.037 0.051 0.000 0.640 111 A CB -0.926 18.097 19.000 0.038 0.000 0.811 111 A HN 1.175 nan 8.150 nan 0.000 0.451 112 A N -0.230 122.632 122.820 0.070 0.000 2.307 112 A HA 0.437 4.757 4.320 -0.000 0.000 0.218 112 A C 1.267 178.924 177.584 0.121 0.000 1.228 112 A CA 0.693 52.779 52.037 0.081 0.000 0.857 112 A CB -0.527 18.515 19.000 0.071 0.000 0.897 112 A HN 0.706 nan 8.150 nan 0.000 0.495 113 S N -1.174 114.631 115.700 0.175 0.000 2.738 113 S HA 0.358 4.828 4.470 -0.000 0.000 0.284 113 S C 0.568 175.253 174.600 0.141 0.000 1.146 113 S CA -0.267 58.072 58.200 0.232 0.000 0.997 113 S CB 0.689 64.178 63.200 0.482 0.000 1.081 113 S HN 0.332 nan 8.310 nan 0.000 0.553 114 E N 0.142 120.401 120.200 0.097 0.000 2.265 114 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 114 E C 1.432 178.048 176.600 0.027 0.000 0.996 114 E CA 1.361 57.780 56.400 0.032 0.000 0.832 114 E CB -0.541 29.146 29.700 -0.022 0.000 0.756 114 E HN 0.761 nan 8.360 nan 0.000 0.491 115 I N -3.623 116.987 120.570 0.066 0.000 3.956 115 I HA 0.294 4.463 4.170 -0.000 0.000 0.333 115 I C 1.825 178.022 176.117 0.134 0.000 1.302 115 I CA 0.064 61.415 61.300 0.086 0.000 1.122 115 I CB 0.246 38.310 38.000 0.106 0.000 1.013 115 I HN -0.133 nan 8.210 nan 0.000 0.405 116 G N 2.184 111.061 108.800 0.127 0.000 2.462 116 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 116 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 116 G C 1.713 176.661 174.900 0.080 0.000 1.121 116 G CA 0.401 45.565 45.100 0.107 0.000 0.758 116 G HN 0.307 nan 8.290 nan 0.000 0.559 117 R N 0.612 121.154 120.500 0.070 0.000 2.061 117 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 117 R C 2.806 179.142 176.300 0.060 0.000 1.140 117 R CA 1.617 57.751 56.100 0.055 0.000 0.940 117 R CB -1.681 28.646 30.300 0.045 0.000 0.839 117 R HN 0.520 nan 8.270 nan 0.000 0.429 118 V N -1.160 118.800 119.914 0.078 0.000 2.759 118 V HA -0.099 4.020 4.120 -0.000 0.000 0.256 118 V C 1.943 178.085 176.094 0.079 0.000 1.080 118 V CA 1.202 63.554 62.300 0.086 0.000 1.101 118 V CB -0.909 30.994 31.823 0.132 0.000 0.698 118 V HN 0.189 nan 8.190 nan 0.000 0.477 119 C N 1.627 120.979 119.300 0.088 0.000 2.754 119 C HA 0.235 4.695 4.460 -0.000 0.000 0.276 119 C C 2.931 177.944 174.990 0.039 0.000 1.264 119 C CA 0.270 59.327 59.018 0.065 0.000 1.700 119 C CB -1.447 26.351 27.740 0.097 0.000 1.885 119 C HN 0.799 nan 8.230 nan 0.000 0.607 120 S N 2.034 117.759 115.700 0.041 0.000 2.407 120 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 120 S C 0.993 175.604 174.600 0.018 0.000 1.036 120 S CA 1.715 59.934 58.200 0.031 0.000 1.013 120 S CB -0.367 62.851 63.200 0.031 0.000 0.820 120 S HN 0.813 nan 8.310 nan 0.000 0.476 121 E N 0.153 120.357 120.200 0.008 0.000 2.734 121 E HA 0.399 4.749 4.350 -0.000 0.000 0.211 121 E C -0.627 175.958 176.600 -0.025 0.000 0.991 121 E CA -0.262 56.136 56.400 -0.003 0.000 1.065 121 E CB 0.499 30.198 29.700 -0.001 0.000 1.047 121 E HN 0.456 nan 8.360 nan 0.000 0.470 122 L N 1.540 122.741 121.223 -0.037 0.000 2.375 122 L HA 0.281 4.621 4.340 -0.000 0.000 0.271 122 L C 0.511 177.320 176.870 -0.102 0.000 1.107 122 L CA -0.552 54.235 54.840 -0.089 0.000 0.806 122 L CB 0.937 42.934 42.059 -0.103 0.000 1.146 122 L HN -0.099 nan 8.230 nan 0.000 0.447 123 K N 3.550 123.847 120.400 -0.172 0.000 2.485 123 K HA -0.010 4.310 4.320 -0.000 0.000 0.277 123 K C -1.384 175.122 176.600 -0.157 0.000 0.990 123 K CA -1.009 55.187 56.287 -0.153 0.000 0.994 123 K CB 0.508 32.863 32.500 -0.242 0.000 0.906 123 K HN 0.371 nan 8.250 nan 0.000 0.488 124 P HA -0.236 nan 4.420 nan 0.000 0.217 124 P C 1.180 178.534 177.300 0.090 0.000 1.162 124 P CA 1.873 65.008 63.100 0.058 0.000 0.901 124 P CB -0.284 31.488 31.700 0.121 0.000 0.793 125 W N 0.385 121.701 121.300 0.027 0.000 2.425 125 W HA -0.027 4.633 4.660 -0.000 0.000 0.277 125 W C 1.836 178.383 176.519 0.046 0.000 1.231 125 W CA 0.258 57.623 57.345 0.033 0.000 1.248 125 W CB -1.865 27.623 29.460 0.048 0.000 1.117 125 W HN -0.113 nan 8.180 nan 0.000 0.568 126 L N 1.414 122.295 121.223 -0.570 0.000 2.156 126 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 126 L C 2.833 179.604 176.870 -0.165 0.000 1.095 126 L CA 1.470 55.983 54.840 -0.544 0.000 0.770 126 L CB -0.750 40.840 42.059 -0.782 0.000 0.914 126 L HN -0.119 nan 8.230 nan 0.000 0.439 127 S N -0.392 115.253 115.700 -0.092 0.000 2.356 127 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 127 S C 2.019 176.697 174.600 0.131 0.000 1.032 127 S CA 1.289 59.508 58.200 0.032 0.000 1.005 127 S CB -0.199 63.016 63.200 0.025 0.000 0.867 127 S HN 0.170 nan 8.310 nan 0.000 0.449 128 V N 2.189 122.173 119.914 0.116 0.000 2.407 128 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 128 V C 2.035 178.272 176.094 0.238 0.000 1.055 128 V CA 1.351 63.749 62.300 0.164 0.000 1.049 128 V CB -0.758 31.131 31.823 0.110 0.000 0.662 128 V HN 0.444 nan 8.190 nan 0.000 0.455 129 I N -0.461 120.234 120.570 0.209 0.000 2.208 129 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 129 I C 2.322 178.617 176.117 0.295 0.000 1.097 129 I CA 1.689 63.141 61.300 0.253 0.000 1.363 129 I CB -0.232 37.914 38.000 0.244 0.000 1.051 129 I HN 0.281 nan 8.210 nan 0.000 0.413 130 L N -0.736 120.650 121.223 0.271 0.000 2.109 130 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 130 L C 2.517 179.603 176.870 0.360 0.000 1.086 130 L CA 1.187 56.210 54.840 0.305 0.000 0.760 130 L CB -0.528 41.694 42.059 0.272 0.000 0.910 130 L HN 0.171 nan 8.230 nan 0.000 0.437 131 F N 0.659 120.733 119.950 0.206 0.000 2.102 131 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 131 F C 2.245 178.158 175.800 0.187 0.000 1.105 131 F CA 1.537 59.646 58.000 0.181 0.000 1.239 131 F CB -0.101 38.980 39.000 0.135 0.000 0.991 131 F HN -0.136 nan 8.300 nan 0.000 0.474 132 L N -0.075 121.389 121.223 0.402 0.000 2.012 132 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 132 L C 2.432 179.440 176.870 0.230 0.000 1.073 132 L CA 1.534 56.598 54.840 0.372 0.000 0.748 132 L CB -0.676 41.597 42.059 0.358 0.000 0.891 132 L HN 0.190 nan 8.230 nan 0.000 0.431 133 I N -0.791 119.930 120.570 0.251 0.000 2.315 133 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 133 I C 2.809 178.920 176.117 -0.011 0.000 1.117 133 I CA 1.076 62.455 61.300 0.131 0.000 1.404 133 I CB -0.307 37.767 38.000 0.124 0.000 1.071 133 I HN 0.238 nan 8.210 nan 0.000 0.419 134 R N 0.975 121.496 120.500 0.035 0.000 2.062 134 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 134 R C 2.266 178.462 176.300 -0.172 0.000 1.136 134 R CA 1.367 57.443 56.100 -0.040 0.000 0.948 134 R CB -0.006 30.255 30.300 -0.064 0.000 0.845 134 R HN 0.211 nan 8.270 nan 0.000 0.430 135 E N 0.441 120.497 120.200 -0.241 0.000 2.110 135 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 135 E C 1.937 178.363 176.600 -0.290 0.000 0.988 135 E CA 0.880 57.191 56.400 -0.147 0.000 0.804 135 E CB -0.278 29.460 29.700 0.063 0.000 0.745 135 E HN 0.344 nan 8.360 nan 0.000 0.458 136 R N 0.666 120.744 120.500 -0.703 0.000 2.127 136 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 136 R C 2.176 178.217 176.300 -0.433 0.000 1.134 136 R CA 1.485 57.009 56.100 -0.960 0.000 0.975 136 R CB 0.093 29.856 30.300 -0.895 0.000 0.865 136 R HN 0.011 nan 8.270 nan 0.000 0.447 137 S N 0.070 115.599 115.700 -0.285 0.000 2.362 137 S HA 0.033 4.503 4.470 -0.000 0.000 0.221 137 S C 0.417 174.943 174.600 -0.123 0.000 1.032 137 S CA 0.357 58.448 58.200 -0.180 0.000 0.973 137 S CB -0.041 63.078 63.200 -0.136 0.000 0.849 137 S HN 0.325 nan 8.310 nan 0.000 0.465 138 R N 2.277 122.715 120.500 -0.103 0.000 2.480 138 R HA 0.027 4.367 4.340 -0.000 0.000 0.303 138 R C 0.504 176.778 176.300 -0.042 0.000 0.985 138 R CA 0.258 56.319 56.100 -0.064 0.000 1.051 138 R CB 0.116 30.387 30.300 -0.049 0.000 0.935 138 R HN 0.454 nan 8.270 nan 0.000 0.410 139 E N 1.661 121.834 120.200 -0.045 0.000 2.502 139 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 139 E C 0.267 176.840 176.600 -0.045 0.000 1.062 139 E CA 0.460 56.835 56.400 -0.041 0.000 0.867 139 E CB 0.266 29.944 29.700 -0.037 0.000 0.888 139 E HN 0.591 nan 8.360 nan 0.000 0.510 140 D N -0.412 119.964 120.400 -0.040 0.000 2.479 140 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 140 D C 0.380 176.652 176.300 -0.045 0.000 1.177 140 D CA -0.150 53.823 54.000 -0.046 0.000 0.830 140 D CB 0.145 40.922 40.800 -0.037 0.000 1.014 140 D HN -0.187 nan 8.370 nan 0.000 0.503 141 S N -0.032 115.660 115.700 -0.013 0.000 2.573 141 S HA 0.090 4.560 4.470 -0.000 0.000 0.277 141 S C 1.498 176.039 174.600 -0.097 0.000 1.346 141 S CA -0.491 57.742 58.200 0.055 0.000 1.034 141 S CB 1.263 64.621 63.200 0.263 0.000 0.879 141 S HN 0.035 nan 8.310 nan 0.000 0.528 142 V N 3.122 122.876 119.914 -0.267 0.000 2.970 142 V HA -0.045 4.075 4.120 -0.000 0.000 0.260 142 V C 0.607 176.203 176.094 -0.831 0.000 1.100 142 V CA 1.066 62.998 62.300 -0.613 0.000 1.122 142 V CB -0.890 30.404 31.823 -0.883 0.000 0.721 142 V HN 0.929 nan 8.190 nan 0.000 0.483 143 W N -0.738 120.508 121.300 -0.089 0.000 2.862 143 W HA 0.438 5.098 4.660 -0.000 0.000 0.426 143 W C 1.606 178.004 176.519 -0.202 0.000 0.950 143 W CA -1.204 55.991 57.345 -0.249 0.000 2.150 143 W CB -0.428 28.876 29.460 -0.260 0.000 1.161 143 W HN -0.022 nan 8.180 nan 0.000 0.696 144 K N 0.603 120.901 120.400 -0.171 0.000 2.034 144 K HA -0.261 4.059 4.320 -0.000 0.000 0.214 144 K C 1.654 178.145 176.600 -0.181 0.000 1.051 144 K CA 2.135 58.314 56.287 -0.180 0.000 0.931 144 K CB -0.127 32.072 32.500 -0.502 0.000 0.715 144 K HN 0.252 nan 8.250 nan 0.000 0.446 145 H N -1.663 117.341 119.070 -0.110 0.000 2.470 145 H HA -0.107 4.449 4.556 -0.000 0.000 0.289 145 H C 1.867 177.342 175.328 0.245 0.000 1.033 145 H CA 1.209 57.291 56.048 0.057 0.000 1.331 145 H CB -0.416 29.361 29.762 0.025 0.000 1.414 145 H HN 0.367 nan 8.280 nan 0.000 0.545 146 Y N 1.097 121.485 120.300 0.148 0.000 2.200 146 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 146 Y C 1.983 177.876 175.900 -0.011 0.000 1.137 146 Y CA 0.992 59.184 58.100 0.154 0.000 1.163 146 Y CB -0.815 37.757 38.460 0.185 0.000 0.988 146 Y HN -0.046 nan 8.280 nan 0.000 0.518 147 F N -0.169 119.817 119.950 0.060 0.000 2.293 147 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 147 F C 2.529 178.302 175.800 -0.045 0.000 1.086 147 F CA 0.828 58.813 58.000 -0.025 0.000 1.375 147 F CB -0.593 38.460 39.000 0.088 0.000 1.045 147 F HN 0.151 nan 8.300 nan 0.000 0.516 148 G N -0.316 108.578 108.800 0.156 0.000 2.598 148 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 148 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 148 G C 1.339 176.258 174.900 0.032 0.000 1.131 148 G CA 0.407 45.567 45.100 0.100 0.000 0.785 148 G HN 0.244 nan 8.290 nan 0.000 0.539 149 I N 0.388 120.920 120.570 -0.063 0.000 4.057 149 I HA 0.307 4.477 4.170 -0.000 0.000 0.334 149 I C 0.792 176.831 176.117 -0.130 0.000 1.308 149 I CA -0.206 61.011 61.300 -0.139 0.000 1.125 149 I CB -0.360 37.424 38.000 -0.361 0.000 1.034 149 I HN 0.018 nan 8.210 nan 0.000 0.401 150 L N 3.197 124.361 121.223 -0.099 0.000 2.367 150 L HA 0.202 4.542 4.340 -0.000 0.000 0.275 150 L C -1.870 175.064 176.870 0.107 0.000 1.129 150 L CA -1.396 53.439 54.840 -0.007 0.000 0.839 150 L CB -0.028 42.098 42.059 0.112 0.000 1.133 150 L HN -0.089 nan 8.230 nan 0.000 0.453 151 P HA 0.077 nan 4.420 nan 0.000 0.271 151 P C -0.143 177.277 177.300 0.200 0.000 1.218 151 P CA -0.338 62.823 63.100 0.102 0.000 0.780 151 P CB 0.581 32.324 31.700 0.071 0.000 0.901 152 Q N 0.340 120.221 119.800 0.135 0.000 2.432 152 Q HA 0.019 4.359 4.340 -0.000 0.000 0.205 152 Q C 0.263 176.318 176.000 0.091 0.000 0.945 152 Q CA 0.986 56.896 55.803 0.178 0.000 0.924 152 Q CB 0.375 29.132 28.738 0.031 0.000 1.016 152 Q HN 0.591 nan 8.270 nan 0.000 0.503 153 E N -1.113 119.043 120.200 -0.073 0.000 2.449 153 E HA 0.283 4.633 4.350 -0.000 0.000 0.278 153 E C -1.074 175.416 176.600 -0.183 0.000 1.059 153 E CA -0.365 55.788 56.400 -0.412 0.000 0.854 153 E CB 2.166 31.616 29.700 -0.415 0.000 1.465 153 E HN 0.079 nan 8.360 nan 0.000 0.462 154 T N -2.788 111.673 114.554 -0.156 0.000 2.696 154 T HA 0.338 4.688 4.350 -0.000 0.000 0.291 154 T C -0.583 174.281 174.700 0.273 0.000 1.095 154 T CA -0.714 61.472 62.100 0.143 0.000 1.026 154 T CB 1.069 70.090 68.868 0.256 0.000 1.390 154 T HN 0.227 nan 8.240 nan 0.000 0.513 155 D N 1.258 121.857 120.400 0.331 0.000 2.370 155 D HA 0.200 4.840 4.640 -0.000 0.000 0.230 155 D C 0.640 177.272 176.300 0.554 0.000 1.143 155 D CA 0.144 54.415 54.000 0.451 0.000 0.834 155 D CB 0.194 41.217 40.800 0.372 0.000 0.944 155 D HN 0.541 nan 8.370 nan 0.000 0.504 156 S N 0.254 116.204 115.700 0.417 0.000 2.549 156 S HA -0.011 4.459 4.470 -0.000 0.000 0.286 156 S C 1.882 176.473 174.600 -0.015 0.000 1.314 156 S CA 0.012 58.312 58.200 0.167 0.000 1.062 156 S CB 0.960 64.245 63.200 0.141 0.000 0.865 156 S HN 0.327 nan 8.310 nan 0.000 0.498 157 T N 3.389 117.643 114.554 -0.501 0.000 2.822 157 T HA -0.210 4.140 4.350 -0.000 0.000 0.270 157 T C 1.732 176.153 174.700 -0.465 0.000 1.064 157 T CA 1.614 63.075 62.100 -1.065 0.000 1.131 157 T CB -1.019 67.264 68.868 -0.975 0.000 0.858 157 T HN 0.879 nan 8.240 nan 0.000 0.483 158 I N -2.544 117.842 120.570 -0.306 0.000 3.164 158 I HA 0.047 4.217 4.170 -0.000 0.000 0.278 158 I C 1.199 177.094 176.117 -0.370 0.000 1.320 158 I CA 0.890 62.003 61.300 -0.312 0.000 1.422 158 I CB -0.686 37.158 38.000 -0.260 0.000 1.066 158 I HN 0.169 nan 8.210 nan 0.000 0.503 159 Y N -1.343 119.029 120.300 0.121 0.000 2.471 159 Y HA 0.279 4.829 4.550 -0.000 0.000 0.249 159 Y C 0.653 176.726 175.900 0.288 0.000 1.116 159 Y CA -1.130 57.078 58.100 0.181 0.000 1.240 159 Y CB 0.075 38.669 38.460 0.224 0.000 1.251 159 Y HN 0.081 nan 8.280 nan 0.000 0.527 160 W N 2.464 123.835 121.300 0.118 0.000 2.123 160 W HA 0.201 4.861 4.660 -0.000 0.000 0.351 160 W C 1.005 177.544 176.519 0.034 0.000 1.292 160 W CA -0.696 56.692 57.345 0.072 0.000 1.263 160 W CB 0.238 29.725 29.460 0.045 0.000 1.165 160 W HN -0.051 nan 8.180 nan 0.000 0.590 161 S N 0.320 116.145 115.700 0.208 0.000 2.669 161 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 161 S C 0.915 175.582 174.600 0.112 0.000 1.225 161 S CA -0.387 57.878 58.200 0.108 0.000 0.991 161 S CB 1.506 64.731 63.200 0.042 0.000 0.987 161 S HN 0.461 nan 8.310 nan 0.000 0.552 162 E N 0.709 120.947 120.200 0.063 0.000 2.153 162 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 162 E C 1.585 178.214 176.600 0.048 0.000 0.988 162 E CA 1.688 58.119 56.400 0.052 0.000 0.811 162 E CB -0.391 29.322 29.700 0.022 0.000 0.746 162 E HN 0.789 nan 8.360 nan 0.000 0.466 163 E N 0.249 120.465 120.200 0.028 0.000 2.072 163 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 163 E C 2.025 178.637 176.600 0.019 0.000 0.985 163 E CA 1.383 57.788 56.400 0.008 0.000 0.801 163 E CB -0.155 29.538 29.700 -0.012 0.000 0.750 163 E HN 0.359 nan 8.360 nan 0.000 0.452 164 E N 0.510 120.720 120.200 0.017 0.000 2.051 164 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 164 E C 2.056 178.802 176.600 0.243 0.000 0.991 164 E CA 0.857 57.244 56.400 -0.022 0.000 0.799 164 E CB -0.142 29.433 29.700 -0.208 0.000 0.748 164 E HN 0.189 nan 8.360 nan 0.000 0.449 165 L N 0.820 122.250 121.223 0.345 0.000 2.079 165 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 165 L C 2.540 179.531 176.870 0.202 0.000 1.081 165 L CA 1.153 56.201 54.840 0.346 0.000 0.752 165 L CB -0.384 41.788 42.059 0.189 0.000 0.896 165 L HN 0.205 nan 8.230 nan 0.000 0.433 166 Q N -0.271 119.595 119.800 0.111 0.000 2.197 166 Q HA -0.287 4.053 4.340 -0.000 0.000 0.207 166 Q C 1.931 177.968 176.000 0.063 0.000 0.984 166 Q CA 1.571 57.392 55.803 0.029 0.000 0.869 166 Q CB -0.052 28.668 28.738 -0.031 0.000 0.906 166 Q HN 0.324 nan 8.270 nan 0.000 0.426 167 E N 0.116 120.411 120.200 0.159 0.000 2.409 167 E HA -0.065 4.285 4.350 -0.000 0.000 0.198 167 E C 0.740 177.545 176.600 0.342 0.000 1.024 167 E CA 0.598 57.154 56.400 0.259 0.000 0.861 167 E CB 0.189 30.006 29.700 0.194 0.000 0.788 167 E HN 0.283 nan 8.360 nan 0.000 0.521 168 L N 0.448 121.839 121.223 0.281 0.000 2.910 168 L HA 0.193 4.533 4.340 -0.000 0.000 0.252 168 L C 0.483 177.431 176.870 0.131 0.000 1.195 168 L CA -0.301 54.670 54.840 0.219 0.000 1.003 168 L CB 0.161 42.316 42.059 0.159 0.000 1.328 168 L HN 0.074 nan 8.230 nan 0.000 0.540 169 Q N 0.915 120.801 119.800 0.142 0.000 2.320 169 Q HA 0.029 4.369 4.340 -0.000 0.000 0.311 169 Q C 1.204 177.158 176.000 -0.077 0.000 1.083 169 Q CA 1.319 57.149 55.803 0.044 0.000 1.001 169 Q CB 0.407 29.164 28.738 0.032 0.000 1.074 169 Q HN 0.473 nan 8.270 nan 0.000 0.379 170 G N 2.723 111.401 108.800 -0.204 0.000 2.268 170 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.240 170 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.240 170 G C 0.127 174.644 174.900 -0.638 0.000 1.010 170 G CA 0.300 45.115 45.100 -0.475 0.000 0.618 170 G HN 1.091 nan 8.290 nan 0.000 0.516 171 S N 0.055 115.532 115.700 -0.373 0.000 2.585 171 S HA 0.470 4.940 4.470 -0.000 0.000 0.273 171 S C 1.201 175.784 174.600 -0.028 0.000 1.339 171 S CA 0.835 59.021 58.200 -0.023 0.000 1.028 171 S CB 1.782 65.077 63.200 0.158 0.000 0.906 171 S HN 0.639 nan 8.310 nan 0.000 0.528 172 Q N 0.276 120.070 119.800 -0.010 0.000 2.119 172 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 172 Q C 1.883 177.781 176.000 -0.170 0.000 0.972 172 Q CA 1.202 56.896 55.803 -0.182 0.000 0.847 172 Q CB -0.319 28.082 28.738 -0.561 0.000 0.903 172 Q HN 0.806 nan 8.270 nan 0.000 0.433 173 L N 0.756 121.893 121.223 -0.143 0.000 2.043 173 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 173 L C 2.097 178.873 176.870 -0.156 0.000 1.075 173 L CA 1.659 56.405 54.840 -0.157 0.000 0.752 173 L CB -0.928 41.049 42.059 -0.136 0.000 0.891 173 L HN 0.440 nan 8.230 nan 0.000 0.432 174 L N -0.249 120.905 121.223 -0.115 0.000 2.012 174 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 174 L C 2.462 179.270 176.870 -0.104 0.000 1.073 174 L CA 1.934 56.710 54.840 -0.106 0.000 0.748 174 L CB -0.825 41.197 42.059 -0.060 0.000 0.891 174 L HN 0.318 nan 8.230 nan 0.000 0.431 175 K N -1.320 119.022 120.400 -0.097 0.000 2.057 175 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 175 K C 1.899 178.438 176.600 -0.102 0.000 1.049 175 K CA 1.849 58.085 56.287 -0.085 0.000 0.931 175 K CB -0.521 31.936 32.500 -0.073 0.000 0.714 175 K HN 0.390 nan 8.250 nan 0.000 0.440 176 T N 0.858 115.332 114.554 -0.132 0.000 2.684 176 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 176 T C 2.207 176.825 174.700 -0.137 0.000 1.036 176 T CA 2.155 64.167 62.100 -0.147 0.000 1.148 176 T CB -0.590 68.171 68.868 -0.179 0.000 0.863 176 T HN 0.539 nan 8.240 nan 0.000 0.436 177 T N 1.055 115.518 114.554 -0.152 0.000 2.746 177 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 177 T C 2.048 176.684 174.700 -0.105 0.000 1.039 177 T CA 1.304 63.314 62.100 -0.150 0.000 1.142 177 T CB -0.952 67.785 68.868 -0.220 0.000 0.866 177 T HN 0.197 nan 8.240 nan 0.000 0.444 178 V N 1.638 121.496 119.914 -0.093 0.000 2.287 178 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 178 V C 3.086 179.156 176.094 -0.041 0.000 1.053 178 V CA 2.159 64.422 62.300 -0.062 0.000 1.027 178 V CB -1.304 30.488 31.823 -0.053 0.000 0.646 178 V HN 0.668 nan 8.190 nan 0.000 0.447 179 S N -0.488 115.181 115.700 -0.051 0.000 2.359 179 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 179 S C 1.974 176.560 174.600 -0.022 0.000 1.035 179 S CA 2.032 60.208 58.200 -0.039 0.000 1.018 179 S CB -0.249 62.910 63.200 -0.069 0.000 0.876 179 S HN 0.317 nan 8.310 nan 0.000 0.448 180 V N 1.803 121.685 119.914 -0.053 0.000 2.307 180 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 180 V C 2.525 178.604 176.094 -0.025 0.000 1.045 180 V CA 1.934 64.205 62.300 -0.048 0.000 1.024 180 V CB -0.618 31.161 31.823 -0.074 0.000 0.651 180 V HN 0.464 nan 8.190 nan 0.000 0.449 181 K N -0.146 120.263 120.400 0.015 0.000 2.032 181 K HA -0.273 4.047 4.320 -0.000 0.000 0.209 181 K C 2.247 178.937 176.600 0.150 0.000 1.048 181 K CA 2.029 58.404 56.287 0.146 0.000 0.927 181 K CB -0.235 32.289 32.500 0.040 0.000 0.712 181 K HN 0.541 nan 8.250 nan 0.000 0.441 182 E N 0.032 120.276 120.200 0.072 0.000 2.085 182 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 182 E C 1.986 178.617 176.600 0.052 0.000 0.994 182 E CA 1.215 57.652 56.400 0.062 0.000 0.801 182 E CB -0.136 29.590 29.700 0.044 0.000 0.743 182 E HN 0.314 nan 8.360 nan 0.000 0.453 183 Y N 0.591 120.853 120.300 -0.064 0.000 2.181 183 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 183 Y C 2.039 177.871 175.900 -0.113 0.000 1.146 183 Y CA 1.441 59.496 58.100 -0.076 0.000 1.164 183 Y CB -0.305 38.105 38.460 -0.082 0.000 0.982 183 Y HN -0.087 nan 8.280 nan 0.000 0.515 184 V N 0.959 120.716 119.914 -0.262 0.000 2.490 184 V HA -0.279 3.840 4.120 -0.000 0.000 0.250 184 V C 2.417 178.226 176.094 -0.474 0.000 1.061 184 V CA 2.182 64.178 62.300 -0.508 0.000 1.064 184 V CB -0.672 30.579 31.823 -0.953 0.000 0.670 184 V HN 0.353 nan 8.190 nan 0.000 0.461 185 K N 0.421 120.690 120.400 -0.219 0.000 2.025 185 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 185 K C 2.065 178.555 176.600 -0.183 0.000 1.049 185 K CA 1.721 57.957 56.287 -0.085 0.000 0.933 185 K CB -0.144 32.418 32.500 0.103 0.000 0.714 185 K HN 0.456 nan 8.250 nan 0.000 0.438 186 N N 1.195 119.779 118.700 -0.193 0.000 2.058 186 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 186 N C 1.638 176.966 175.510 -0.304 0.000 1.037 186 N CA 1.157 54.088 53.050 -0.199 0.000 0.848 186 N CB -0.362 38.034 38.487 -0.151 0.000 1.021 186 N HN 0.258 nan 8.380 nan 0.000 0.422 187 E N 0.792 120.717 120.200 -0.458 0.000 2.085 187 E HA -0.120 4.229 4.350 -0.000 0.000 0.194 187 E C 2.192 178.478 176.600 -0.523 0.000 0.994 187 E CA 0.608 56.703 56.400 -0.508 0.000 0.801 187 E CB -0.563 28.748 29.700 -0.649 0.000 0.743 187 E HN 0.344 nan 8.360 nan 0.000 0.453 188 C N 0.461 119.378 119.300 -0.637 0.000 2.457 188 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 188 C C 2.840 177.429 174.990 -0.667 0.000 1.309 188 C CA 0.144 58.565 59.018 -0.996 0.000 1.735 188 C CB -1.017 25.780 27.740 -1.571 0.000 1.992 188 C HN 0.364 nan 8.230 nan 0.000 0.493 189 L N 0.521 121.536 121.223 -0.346 0.000 2.131 189 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 189 L C 2.493 179.284 176.870 -0.131 0.000 1.092 189 L CA 1.427 56.188 54.840 -0.133 0.000 0.759 189 L CB -0.550 41.465 42.059 -0.074 0.000 0.903 189 L HN 0.412 nan 8.230 nan 0.000 0.435 190 K N 0.008 120.295 120.400 -0.189 0.000 2.217 190 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 190 K C 2.055 178.561 176.600 -0.156 0.000 1.051 190 K CA 0.829 57.025 56.287 -0.153 0.000 0.952 190 K CB -0.012 32.388 32.500 -0.168 0.000 0.736 190 K HN 0.286 nan 8.250 nan 0.000 0.453 191 L N 0.865 121.958 121.223 -0.218 0.000 2.109 191 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 191 L C 2.577 179.379 176.870 -0.113 0.000 1.086 191 L CA 1.152 55.878 54.840 -0.190 0.000 0.760 191 L CB -0.262 41.636 42.059 -0.270 0.000 0.910 191 L HN 0.272 nan 8.230 nan 0.000 0.437 192 E N 0.148 120.317 120.200 -0.051 0.000 2.110 192 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 192 E C 1.967 178.540 176.600 -0.044 0.000 0.988 192 E CA 1.165 57.556 56.400 -0.015 0.000 0.804 192 E CB 0.138 29.878 29.700 0.067 0.000 0.745 192 E HN 0.540 nan 8.360 nan 0.000 0.458 193 Q N -0.707 119.067 119.800 -0.043 0.000 2.425 193 Q HA 0.003 4.343 4.340 -0.000 0.000 0.204 193 Q C 1.074 177.053 176.000 -0.035 0.000 0.933 193 Q CA 0.482 56.265 55.803 -0.033 0.000 0.939 193 Q CB 0.533 29.253 28.738 -0.030 0.000 1.044 193 Q HN 0.315 nan 8.270 nan 0.000 0.513 194 E N -0.781 119.389 120.200 -0.050 0.000 2.485 194 E HA 0.081 4.431 4.350 -0.000 0.000 0.213 194 E C 0.630 177.214 176.600 -0.027 0.000 0.923 194 E CA 0.240 56.617 56.400 -0.039 0.000 1.054 194 E CB 0.755 30.424 29.700 -0.052 0.000 1.077 194 E HN 0.166 nan 8.360 nan 0.000 0.509 195 I N -0.623 119.918 120.570 -0.049 0.000 4.193 195 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 195 I C 1.695 177.781 176.117 -0.051 0.000 1.175 195 I CA 0.156 61.444 61.300 -0.020 0.000 1.320 195 I CB 0.255 38.235 38.000 -0.033 0.000 1.523 195 I HN -0.051 nan 8.210 nan 0.000 0.450 196 I N 0.519 120.943 120.570 -0.243 0.000 2.162 196 I HA -0.212 3.958 4.170 -0.000 0.000 0.238 196 I C 2.312 178.402 176.117 -0.045 0.000 1.076 196 I CA 1.566 62.640 61.300 -0.377 0.000 1.353 196 I CB -0.322 37.396 38.000 -0.470 0.000 1.063 196 I HN 0.116 nan 8.210 nan 0.000 0.408 197 L N 0.427 121.629 121.223 -0.035 0.000 2.017 197 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 197 L C -0.085 176.808 176.870 0.038 0.000 1.073 197 L CA 1.641 56.487 54.840 0.009 0.000 0.745 197 L CB -2.051 40.006 42.059 -0.003 0.000 0.894 197 L HN 0.182 nan 8.230 nan 0.000 0.432 198 P HA -0.145 nan 4.420 nan 0.000 0.213 198 P C 0.234 177.578 177.300 0.073 0.000 1.170 198 P CA 1.260 64.387 63.100 0.045 0.000 0.898 198 P CB -0.034 31.688 31.700 0.037 0.000 0.787 199 N N 0.735 119.508 118.700 0.122 0.000 3.259 199 N HA -0.001 4.739 4.740 -0.000 0.000 0.308 199 N C 0.808 176.431 175.510 0.188 0.000 1.334 199 N CA 0.088 53.229 53.050 0.151 0.000 1.202 199 N CB -0.051 38.557 38.487 0.202 0.000 1.485 199 N HN 0.429 nan 8.380 nan 0.000 0.549 200 K N -0.283 120.192 120.400 0.124 0.000 2.589 200 K HA -0.139 4.181 4.320 -0.000 0.000 0.195 200 K C 1.605 178.245 176.600 0.068 0.000 1.040 200 K CA 0.569 56.922 56.287 0.110 0.000 0.950 200 K CB 0.269 32.806 32.500 0.063 0.000 0.781 200 K HN 0.207 nan 8.250 nan 0.000 0.486 201 R N 1.253 121.777 120.500 0.040 0.000 2.066 201 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 201 R C 2.128 178.384 176.300 -0.074 0.000 1.122 201 R CA 0.474 56.567 56.100 -0.011 0.000 0.974 201 R CB -0.057 30.234 30.300 -0.015 0.000 0.871 201 R HN 0.202 nan 8.270 nan 0.000 0.435 202 L N -0.156 120.986 121.223 -0.135 0.000 2.156 202 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 202 L C 0.185 176.674 176.870 -0.634 0.000 1.095 202 L CA 0.736 55.327 54.840 -0.415 0.000 0.770 202 L CB 0.108 41.823 42.059 -0.572 0.000 0.914 202 L HN 0.080 nan 8.230 nan 0.000 0.439 203 F N -0.906 119.034 119.950 -0.016 0.000 2.449 203 F HA 0.318 4.845 4.527 -0.000 0.000 0.344 203 F C -1.680 174.101 175.800 -0.032 0.000 1.180 203 F CA -1.789 56.194 58.000 -0.028 0.000 1.209 203 F CB 0.366 39.354 39.000 -0.019 0.000 1.440 203 F HN -0.224 nan 8.300 nan 0.000 0.526 204 P HA -0.113 nan 4.420 nan 0.000 0.215 204 P C -0.099 177.219 177.300 0.029 0.000 1.157 204 P CA 1.399 64.516 63.100 0.028 0.000 0.868 204 P CB 0.236 31.929 31.700 -0.012 0.000 0.788 205 D N -0.550 119.863 120.400 0.022 0.000 2.329 205 D HA 0.220 4.860 4.640 -0.000 0.000 0.246 205 D C -2.052 174.248 176.300 -0.000 0.000 1.111 205 D CA -1.288 52.710 54.000 -0.004 0.000 0.941 205 D CB -0.422 40.359 40.800 -0.033 0.000 1.169 205 D HN 0.032 nan 8.370 nan 0.000 0.441 206 P HA 0.216 nan 4.420 nan 0.000 0.275 206 P C -0.776 176.464 177.300 -0.099 0.000 1.266 206 P CA -0.498 62.573 63.100 -0.048 0.000 0.793 206 P CB 0.702 32.376 31.700 -0.043 0.000 1.074 207 V N -0.038 119.787 119.914 -0.148 0.000 2.447 207 V HA 0.337 4.457 4.120 -0.000 0.000 0.292 207 V C 0.338 176.264 176.094 -0.280 0.000 1.021 207 V CA -0.590 61.534 62.300 -0.293 0.000 0.850 207 V CB 1.136 32.677 31.823 -0.469 0.000 1.005 207 V HN 0.733 nan 8.190 nan 0.000 0.426 208 T N 1.933 116.354 114.554 -0.222 0.000 2.881 208 T HA 0.542 4.891 4.350 -0.000 0.000 0.278 208 T C 1.150 175.828 174.700 -0.037 0.000 0.982 208 T CA -0.600 61.448 62.100 -0.088 0.000 0.989 208 T CB 1.168 70.017 68.868 -0.031 0.000 1.058 208 T HN 0.306 nan 8.240 nan 0.000 0.529 209 L N 0.102 121.423 121.223 0.163 0.000 2.275 209 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 209 L C 2.044 179.178 176.870 0.440 0.000 1.119 209 L CA 1.147 56.224 54.840 0.394 0.000 0.790 209 L CB -0.559 41.726 42.059 0.377 0.000 0.919 209 L HN 0.724 nan 8.230 nan 0.000 0.443 210 D N -0.189 120.361 120.400 0.249 0.000 2.178 210 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 210 D C 1.784 178.267 176.300 0.305 0.000 0.974 210 D CA 0.894 55.057 54.000 0.272 0.000 0.841 210 D CB 0.070 40.954 40.800 0.140 0.000 0.953 210 D HN 0.268 nan 8.370 nan 0.000 0.478 211 D N -0.552 119.929 120.400 0.136 0.000 2.123 211 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 211 D C 1.989 178.463 176.300 0.290 0.000 0.976 211 D CA 0.534 54.596 54.000 0.105 0.000 0.831 211 D CB -0.352 40.346 40.800 -0.170 0.000 0.974 211 D HN 0.302 nan 8.370 nan 0.000 0.469 212 F N 0.329 120.424 119.950 0.242 0.000 2.075 212 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 212 F C 2.248 178.132 175.800 0.140 0.000 1.113 212 F CA 0.670 58.748 58.000 0.130 0.000 1.218 212 F CB -0.352 38.633 39.000 -0.024 0.000 0.984 212 F HN -0.134 nan 8.300 nan 0.000 0.472 213 F N -1.455 118.756 119.950 0.436 0.000 2.451 213 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 213 F C 1.935 178.039 175.800 0.505 0.000 1.101 213 F CA 0.851 59.073 58.000 0.370 0.000 1.436 213 F CB -0.676 38.465 39.000 0.235 0.000 1.074 213 F HN 0.115 nan 8.300 nan 0.000 0.553 214 W N 0.803 122.388 121.300 0.476 0.000 2.408 214 W HA -0.055 4.605 4.660 -0.000 0.000 0.311 214 W C 2.358 179.063 176.519 0.310 0.000 1.190 214 W CA 1.873 59.446 57.345 0.378 0.000 1.321 214 W CB -0.739 28.847 29.460 0.211 0.000 1.143 214 W HN -0.097 nan 8.180 nan 0.000 0.501 215 A N -0.005 122.926 122.820 0.185 0.000 1.902 215 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 215 A C 2.012 179.589 177.584 -0.012 0.000 1.181 215 A CA 1.613 53.592 52.037 -0.096 0.000 0.623 215 A CB -1.581 17.562 19.000 0.239 0.000 0.818 215 A HN 0.484 nan 8.150 nan 0.000 0.443 216 F N 1.210 121.167 119.950 0.012 0.000 2.126 216 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 216 F C 2.284 178.047 175.800 -0.061 0.000 1.096 216 F CA 1.558 59.541 58.000 -0.030 0.000 1.255 216 F CB -0.637 38.291 39.000 -0.121 0.000 0.997 216 F HN 0.196 nan 8.300 nan 0.000 0.479 217 G N 0.438 109.252 108.800 0.024 0.000 2.421 217 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 217 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 217 G C 1.672 176.486 174.900 -0.144 0.000 1.143 217 G CA 0.790 45.884 45.100 -0.010 0.000 0.784 217 G HN 0.328 nan 8.290 nan 0.000 0.541 218 I N 0.382 120.793 120.570 -0.265 0.000 2.202 218 I HA -0.053 4.117 4.170 -0.000 0.000 0.242 218 I C 2.617 178.593 176.117 -0.234 0.000 1.091 218 I CA 0.743 61.856 61.300 -0.311 0.000 1.368 218 I CB -0.890 36.758 38.000 -0.587 0.000 1.058 218 I HN 0.124 nan 8.210 nan 0.000 0.410 219 L N 0.902 121.971 121.223 -0.256 0.000 2.046 219 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 219 L C 2.680 179.370 176.870 -0.301 0.000 1.077 219 L CA 1.805 56.512 54.840 -0.223 0.000 0.747 219 L CB -0.703 41.254 42.059 -0.170 0.000 0.896 219 L HN 0.119 nan 8.230 nan 0.000 0.432 220 R N -1.386 118.845 120.500 -0.448 0.000 2.200 220 R HA -0.031 4.309 4.340 -0.000 0.000 0.208 220 R C 2.143 178.212 176.300 -0.385 0.000 1.033 220 R CA 1.031 56.834 56.100 -0.496 0.000 1.000 220 R CB 0.011 29.860 30.300 -0.753 0.000 0.906 220 R HN 0.572 nan 8.270 nan 0.000 0.462 221 S N -1.070 114.486 115.700 -0.240 0.000 2.503 221 S HA 0.137 4.607 4.470 -0.000 0.000 0.215 221 S C 1.602 176.234 174.600 0.054 0.000 1.003 221 S CA -0.372 57.810 58.200 -0.030 0.000 0.910 221 S CB 0.317 63.563 63.200 0.077 0.000 0.790 221 S HN 0.295 nan 8.310 nan 0.000 0.514 222 R N 0.804 121.245 120.500 -0.098 0.000 2.194 222 R HA 0.464 4.804 4.340 -0.000 0.000 0.194 222 R C 0.915 177.015 176.300 -0.333 0.000 0.985 222 R CA 0.505 56.509 56.100 -0.160 0.000 1.104 222 R CB -0.222 30.043 30.300 -0.059 0.000 1.092 222 R HN 0.376 nan 8.270 nan 0.000 0.555 223 A N 1.812 124.485 122.820 -0.245 0.000 2.555 223 A HA 0.190 4.510 4.320 -0.000 0.000 0.233 223 A C -0.470 176.925 177.584 -0.315 0.000 1.060 223 A CA 0.386 52.294 52.037 -0.215 0.000 0.759 223 A CB -0.106 18.816 19.000 -0.130 0.000 0.995 223 A HN 0.099 nan 8.150 nan 0.000 0.506 224 F N 0.843 120.713 119.950 -0.134 0.000 2.432 224 F HA 0.494 5.021 4.527 -0.000 0.000 0.329 224 F C 1.181 176.970 175.800 -0.019 0.000 1.076 224 F CA 0.177 58.147 58.000 -0.049 0.000 1.018 224 F CB 2.170 41.166 39.000 -0.007 0.000 1.201 224 F HN 0.632 nan 8.300 nan 0.000 0.489 225 S N 0.041 115.872 115.700 0.219 0.000 4.150 225 S HA 0.337 4.807 4.470 -0.000 0.000 0.193 225 S C -0.633 174.056 174.600 0.148 0.000 1.010 225 S CA -0.969 57.309 58.200 0.131 0.000 1.650 225 S CB -0.007 63.239 63.200 0.076 0.000 0.823 225 S HN 0.497 nan 8.310 nan 0.000 0.794 226 R N 1.517 122.081 120.500 0.106 0.000 2.782 226 R HA -0.134 4.206 4.340 -0.000 0.000 0.185 226 R C -0.826 175.514 176.300 0.066 0.000 0.703 226 R CA 0.359 56.504 56.100 0.074 0.000 0.719 226 R CB -1.684 28.652 30.300 0.061 0.000 1.840 226 R HN 0.346 nan 8.270 nan 0.000 0.484 227 L N 0.946 122.203 121.223 0.057 0.000 2.780 227 L HA 0.394 4.734 4.340 -0.000 0.000 0.265 227 L C -0.265 176.632 176.870 0.044 0.000 1.003 227 L CA -1.263 53.608 54.840 0.052 0.000 1.056 227 L CB 1.193 43.306 42.059 0.090 0.000 1.605 227 L HN 0.370 nan 8.230 nan 0.000 0.354 228 R N 1.663 122.195 120.500 0.053 0.000 2.287 228 R HA 0.313 4.653 4.340 -0.000 0.000 0.327 228 R C -0.248 176.090 176.300 0.063 0.000 1.109 228 R CA -0.262 55.866 56.100 0.046 0.000 1.013 228 R CB 0.218 30.540 30.300 0.036 0.000 1.126 228 R HN 0.497 nan 8.270 nan 0.000 0.503 229 N N 0.933 119.666 118.700 0.054 0.000 2.815 229 N HA -0.166 4.574 4.740 -0.000 0.000 0.247 229 N C -0.852 174.702 175.510 0.074 0.000 1.030 229 N CA 1.407 54.493 53.050 0.059 0.000 0.881 229 N CB -0.254 38.270 38.487 0.062 0.000 1.134 229 N HN 0.586 nan 8.380 nan 0.000 0.582 230 E N 0.742 120.991 120.200 0.081 0.000 2.145 230 E HA 0.295 4.645 4.350 -0.000 0.000 0.270 230 E C 0.902 177.547 176.600 0.075 0.000 0.906 230 E CA -0.360 56.094 56.400 0.090 0.000 0.761 230 E CB 0.680 30.450 29.700 0.116 0.000 1.116 230 E HN 0.365 nan 8.360 nan 0.000 0.408 231 N N 2.600 121.338 118.700 0.063 0.000 2.143 231 N HA 0.075 4.815 4.740 -0.000 0.000 0.222 231 N C -0.172 175.362 175.510 0.039 0.000 1.264 231 N CA -0.225 52.856 53.050 0.052 0.000 0.897 231 N CB 1.096 39.607 38.487 0.040 0.000 1.092 231 N HN 0.186 nan 8.380 nan 0.000 0.516 232 L N 1.489 122.735 121.223 0.039 0.000 2.534 232 L HA 0.458 4.798 4.340 -0.000 0.000 0.259 232 L C -1.837 175.032 176.870 -0.001 0.000 1.108 232 L CA -0.503 54.347 54.840 0.017 0.000 0.905 232 L CB 1.565 43.646 42.059 0.037 0.000 1.138 232 L HN -0.151 nan 8.230 nan 0.000 0.475 233 V N 4.163 124.058 119.914 -0.032 0.000 2.525 233 V HA 0.514 4.634 4.120 -0.000 0.000 0.299 233 V C -0.298 175.702 176.094 -0.158 0.000 1.034 233 V CA -0.813 61.409 62.300 -0.131 0.000 0.863 233 V CB 2.103 33.761 31.823 -0.275 0.000 0.999 233 V HN 0.220 nan 8.190 nan 0.000 0.423 234 V N 5.545 125.362 119.914 -0.163 0.000 2.432 234 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 234 V C -0.212 175.733 176.094 -0.249 0.000 1.043 234 V CA -0.248 61.973 62.300 -0.132 0.000 0.925 234 V CB 1.854 33.627 31.823 -0.084 0.000 0.985 234 V HN 0.652 nan 8.190 nan 0.000 0.466 235 V N 7.758 127.536 119.914 -0.226 0.000 2.419 235 V HA 0.266 4.386 4.120 -0.000 0.000 0.287 235 V C -1.629 174.414 176.094 -0.086 0.000 1.017 235 V CA -1.328 60.766 62.300 -0.343 0.000 0.844 235 V CB 1.482 32.734 31.823 -0.952 0.000 1.011 235 V HN 0.627 nan 8.190 nan 0.000 0.429 236 P HA -0.295 nan 4.420 nan 0.000 0.222 236 P C 1.681 179.283 177.300 0.503 0.000 1.147 236 P CA 2.034 65.175 63.100 0.070 0.000 0.958 236 P CB 0.209 32.030 31.700 0.201 0.000 0.788 237 M N -2.257 117.560 119.600 0.362 0.000 2.357 237 M HA 0.041 4.521 4.480 -0.000 0.000 0.266 237 M C 1.953 178.457 176.300 0.340 0.000 1.095 237 M CA 1.389 56.938 55.300 0.414 0.000 1.156 237 M CB -0.262 32.436 32.600 0.163 0.000 1.365 237 M HN -0.147 nan 8.290 nan 0.000 0.447 238 A N 1.504 124.462 122.820 0.230 0.000 1.917 238 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 238 A C 1.349 179.189 177.584 0.426 0.000 1.182 238 A CA 2.359 54.546 52.037 0.249 0.000 0.633 238 A CB -1.270 17.721 19.000 -0.015 0.000 0.819 238 A HN 0.768 nan 8.150 nan 0.000 0.448 239 D N -0.138 120.516 120.400 0.423 0.000 2.390 239 D HA -0.002 4.638 4.640 -0.000 0.000 0.235 239 D C 1.157 177.613 176.300 0.261 0.000 1.040 239 D CA 0.348 54.548 54.000 0.333 0.000 0.923 239 D CB -0.584 40.349 40.800 0.221 0.000 0.886 239 D HN 0.504 nan 8.370 nan 0.000 0.532 240 L N -0.652 120.746 121.223 0.292 0.000 2.509 240 L HA 0.176 4.516 4.340 -0.000 0.000 0.222 240 L C 0.915 177.904 176.870 0.199 0.000 1.123 240 L CA -0.371 54.610 54.840 0.235 0.000 0.856 240 L CB -0.114 42.111 42.059 0.277 0.000 0.985 240 L HN 0.062 nan 8.230 nan 0.000 0.456 241 I N 1.001 121.712 120.570 0.235 0.000 2.618 241 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 241 I C 0.418 176.681 176.117 0.243 0.000 1.146 241 I CA 0.430 61.850 61.300 0.200 0.000 1.425 241 I CB 0.136 38.281 38.000 0.241 0.000 1.383 241 I HN 0.127 nan 8.210 nan 0.000 0.562 242 N N 4.796 123.583 118.700 0.145 0.000 2.478 242 N HA 0.205 4.945 4.740 -0.000 0.000 0.275 242 N C -0.913 174.659 175.510 0.104 0.000 1.221 242 N CA -0.551 52.590 53.050 0.153 0.000 0.979 242 N CB 0.679 39.226 38.487 0.099 0.000 1.202 242 N HN 0.637 nan 8.380 nan 0.000 0.564 243 H N -1.028 117.735 119.070 -0.512 0.000 2.487 243 H HA 0.442 4.998 4.556 -0.000 0.000 0.333 243 H C -0.821 174.167 175.328 -0.568 0.000 1.114 243 H CA -0.137 55.443 56.048 -0.779 0.000 1.310 243 H CB 0.777 29.650 29.762 -1.481 0.000 1.462 243 H HN 0.308 nan 8.280 nan 0.000 0.516 244 S N 2.987 117.929 115.700 -1.263 0.000 2.575 244 S HA 0.495 4.965 4.470 -0.000 0.000 0.278 244 S C 0.499 174.583 174.600 -0.860 0.000 1.139 244 S CA -0.151 57.397 58.200 -1.085 0.000 0.954 244 S CB 0.969 63.459 63.200 -1.184 0.000 1.054 244 S HN 0.930 nan 8.310 nan 0.000 0.483 245 A N 3.470 126.002 122.820 -0.481 0.000 2.216 245 A HA 0.218 4.538 4.320 -0.000 0.000 0.214 245 A C 1.835 179.308 177.584 -0.185 0.000 1.160 245 A CA 1.329 53.247 52.037 -0.198 0.000 0.725 245 A CB -0.894 18.075 19.000 -0.053 0.000 0.784 245 A HN 1.103 nan 8.150 nan 0.000 0.472 246 G N -0.833 107.811 108.800 -0.260 0.000 2.534 246 G HA2 0.217 4.177 3.960 -0.000 0.000 0.217 246 G HA3 0.217 4.177 3.960 -0.000 0.000 0.217 246 G C 0.466 175.295 174.900 -0.118 0.000 1.128 246 G CA 0.636 45.635 45.100 -0.167 0.000 0.784 246 G HN 0.269 nan 8.290 nan 0.000 0.542 247 V N 1.614 121.437 119.914 -0.153 0.000 2.406 247 V HA 0.339 4.459 4.120 -0.000 0.000 0.272 247 V C 1.097 177.171 176.094 -0.032 0.000 1.043 247 V CA 0.417 62.674 62.300 -0.071 0.000 0.915 247 V CB 1.265 33.046 31.823 -0.071 0.000 0.988 247 V HN 0.311 nan 8.190 nan 0.000 0.466 248 T N -0.396 114.161 114.554 0.005 0.000 3.174 248 T HA 0.225 4.575 4.350 -0.000 0.000 0.269 248 T C 0.443 175.170 174.700 0.045 0.000 1.017 248 T CA 0.272 62.386 62.100 0.023 0.000 0.899 248 T CB -0.035 68.841 68.868 0.013 0.000 1.077 248 T HN 0.760 nan 8.240 nan 0.000 0.552 249 T N -1.732 112.862 114.554 0.067 0.000 2.864 249 T HA 0.585 4.935 4.350 -0.000 0.000 0.289 249 T C -0.424 174.363 174.700 0.145 0.000 1.082 249 T CA -0.840 61.310 62.100 0.083 0.000 1.009 249 T CB 2.273 71.181 68.868 0.067 0.000 1.234 249 T HN 0.048 nan 8.240 nan 0.000 0.526 250 E N -0.203 120.078 120.200 0.136 0.000 2.812 250 E HA 0.138 4.488 4.350 -0.000 0.000 0.211 250 E C -0.974 175.630 176.600 0.007 0.000 0.986 250 E CA -0.138 56.380 56.400 0.196 0.000 1.119 250 E CB 0.538 30.334 29.700 0.161 0.000 1.046 250 E HN 0.681 nan 8.360 nan 0.000 0.474 251 D N 1.080 121.499 120.400 0.032 0.000 2.524 251 D HA 0.008 4.648 4.640 -0.000 0.000 0.222 251 D C 0.874 177.176 176.300 0.005 0.000 1.142 251 D CA 0.008 53.975 54.000 -0.054 0.000 0.973 251 D CB 0.029 40.820 40.800 -0.016 0.000 1.025 251 D HN 0.280 nan 8.370 nan 0.000 0.519 252 H N 1.341 120.453 119.070 0.071 0.000 3.400 252 H HA 0.420 4.976 4.556 -0.000 0.000 0.251 252 H C -0.316 175.023 175.328 0.019 0.000 1.040 252 H CA -0.455 55.638 56.048 0.074 0.000 1.175 252 H CB 0.320 30.153 29.762 0.119 0.000 1.487 252 H HN 0.228 nan 8.280 nan 0.000 0.505 253 A N 1.125 123.795 122.820 -0.250 0.000 2.365 253 A HA 0.623 4.943 4.320 -0.000 0.000 0.318 253 A C -1.553 175.873 177.584 -0.264 0.000 1.091 253 A CA -0.721 51.117 52.037 -0.332 0.000 0.763 253 A CB 1.602 20.350 19.000 -0.421 0.000 1.248 253 A HN 0.488 nan 8.150 nan 0.000 0.442 254 Y N -0.348 119.675 120.300 -0.461 0.000 2.624 254 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 254 Y C -0.755 174.948 175.900 -0.329 0.000 1.155 254 Y CA -1.030 56.879 58.100 -0.318 0.000 1.046 254 Y CB 0.894 39.232 38.460 -0.203 0.000 1.316 254 Y HN 0.778 nan 8.280 nan 0.000 0.457 255 E N 1.368 121.491 120.200 -0.128 0.000 2.235 255 E HA 0.728 5.078 4.350 -0.000 0.000 0.265 255 E C -1.566 175.023 176.600 -0.019 0.000 0.940 255 E CA -1.486 54.820 56.400 -0.156 0.000 0.819 255 E CB 2.989 32.674 29.700 -0.025 0.000 1.206 255 E HN 0.433 nan 8.360 nan 0.000 0.409 256 V N 2.228 122.103 119.914 -0.065 0.000 2.305 256 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 256 V C -0.091 175.885 176.094 -0.197 0.000 1.020 256 V CA -0.546 61.723 62.300 -0.051 0.000 0.811 256 V CB 0.448 32.270 31.823 -0.001 0.000 1.031 256 V HN 0.604 nan 8.190 nan 0.000 0.439 257 K N 2.457 122.609 120.400 -0.414 0.000 2.617 257 K HA 0.494 4.814 4.320 -0.000 0.000 0.298 257 K C 1.712 177.895 176.600 -0.694 0.000 0.984 257 K CA -0.087 55.530 56.287 -1.117 0.000 1.299 257 K CB 0.243 32.075 32.500 -1.114 0.000 1.608 257 K HN 0.519 nan 8.250 nan 0.000 0.730 258 G N 0.327 108.740 108.800 -0.645 0.000 2.535 258 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 258 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 258 G C 1.326 176.160 174.900 -0.109 0.000 1.122 258 G CA 0.982 46.018 45.100 -0.107 0.000 0.769 258 G HN 0.505 nan 8.290 nan 0.000 0.549 259 A N 0.709 123.443 122.820 -0.142 0.000 2.015 259 A HA 0.396 4.716 4.320 -0.000 0.000 0.219 259 A C 2.384 179.916 177.584 -0.087 0.000 1.163 259 A CA 1.648 53.628 52.037 -0.096 0.000 0.646 259 A CB -0.241 18.704 19.000 -0.092 0.000 0.806 259 A HN 0.701 nan 8.150 nan 0.000 0.448 260 A N -1.273 121.488 122.820 -0.099 0.000 2.370 260 A HA 0.447 4.767 4.320 -0.000 0.000 0.238 260 A C 1.581 179.112 177.584 -0.089 0.000 1.289 260 A CA 0.851 52.841 52.037 -0.079 0.000 0.885 260 A CB -1.237 17.724 19.000 -0.065 0.000 0.961 260 A HN 1.761 nan 8.150 nan 0.000 0.499 261 G N -0.772 107.965 108.800 -0.104 0.000 2.203 261 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 261 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 261 G C 0.106 174.865 174.900 -0.236 0.000 1.012 261 G CA 0.805 45.813 45.100 -0.152 0.000 0.749 261 G HN 0.497 nan 8.290 nan 0.000 0.512 262 L N -1.173 119.951 121.223 -0.164 0.000 2.387 262 L HA 0.716 5.056 4.340 -0.000 0.000 0.266 262 L C 0.978 177.676 176.870 -0.288 0.000 1.059 262 L CA -1.308 53.404 54.840 -0.213 0.000 0.801 262 L CB 0.815 42.867 42.059 -0.013 0.000 1.223 262 L HN 0.046 nan 8.230 nan 0.000 0.456 263 F N -0.590 119.132 119.950 -0.381 0.000 2.406 263 F HA 0.018 4.545 4.527 -0.000 0.000 0.327 263 F C 1.730 176.808 175.800 -1.203 0.000 1.153 263 F CA 0.103 57.583 58.000 -0.867 0.000 1.218 263 F CB 1.268 39.356 39.000 -1.520 0.000 1.215 263 F HN 0.666 nan 8.300 nan 0.000 0.570 264 S N 1.343 116.305 115.700 -1.230 0.000 2.370 264 S HA -0.268 4.202 4.470 -0.000 0.000 0.226 264 S C 1.516 175.403 174.600 -1.189 0.000 1.033 264 S CA 1.424 58.531 58.200 -1.822 0.000 1.011 264 S CB -1.064 61.642 63.200 -0.823 0.000 0.852 264 S HN 0.831 nan 8.310 nan 0.000 0.457 265 W N 1.790 122.816 121.300 -0.455 0.000 2.961 265 W HA 0.376 5.036 4.660 -0.000 0.000 0.240 265 W C 0.265 176.620 176.519 -0.274 0.000 1.305 265 W CA 0.234 57.376 57.345 -0.337 0.000 1.465 265 W CB -0.399 28.921 29.460 -0.234 0.000 1.135 265 W HN 0.138 nan 8.180 nan 0.000 0.688 266 D N -0.781 119.436 120.400 -0.304 0.000 2.469 266 D HA -0.020 4.619 4.640 -0.000 0.000 0.215 266 D C -0.002 176.310 176.300 0.020 0.000 1.154 266 D CA -0.238 53.721 54.000 -0.067 0.000 0.832 266 D CB -0.277 40.519 40.800 -0.007 0.000 1.008 266 D HN -0.039 nan 8.370 nan 0.000 0.506 267 Y N 1.105 121.314 120.300 -0.152 0.000 2.712 267 Y HA 0.088 4.638 4.550 -0.000 0.000 0.333 267 Y C 1.016 176.909 175.900 -0.011 0.000 1.225 267 Y CA -0.172 57.882 58.100 -0.077 0.000 1.499 267 Y CB 0.196 38.628 38.460 -0.047 0.000 1.288 267 Y HN -0.163 nan 8.280 nan 0.000 0.575 268 L N 4.737 126.079 121.223 0.199 0.000 2.307 268 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 268 L C -0.528 176.472 176.870 0.216 0.000 1.023 268 L CA -0.727 54.230 54.840 0.195 0.000 0.810 268 L CB 1.046 43.135 42.059 0.050 0.000 1.231 268 L HN 0.474 nan 8.230 nan 0.000 0.423 269 F N 2.906 123.014 119.950 0.264 0.000 2.368 269 F HA 0.293 4.820 4.527 -0.000 0.000 0.362 269 F C 0.242 175.921 175.800 -0.202 0.000 1.137 269 F CA -0.089 57.889 58.000 -0.036 0.000 1.161 269 F CB 0.742 39.564 39.000 -0.297 0.000 1.265 269 F HN 0.347 nan 8.300 nan 0.000 0.530 270 S N 6.696 121.972 115.700 -0.708 0.000 2.489 270 S HA 0.612 5.082 4.470 -0.000 0.000 0.291 270 S C -1.075 173.154 174.600 -0.618 0.000 1.151 270 S CA -0.577 57.226 58.200 -0.662 0.000 1.082 270 S CB 1.541 64.073 63.200 -1.114 0.000 1.019 270 S HN 0.621 nan 8.310 nan 0.000 0.492 271 L N 4.404 125.475 121.223 -0.253 0.000 2.362 271 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 271 L C -0.734 176.156 176.870 0.032 0.000 0.998 271 L CA -0.300 54.491 54.840 -0.082 0.000 0.820 271 L CB 1.176 43.268 42.059 0.056 0.000 1.270 271 L HN 0.644 nan 8.230 nan 0.000 0.415 272 K N 1.865 122.327 120.400 0.103 0.000 2.340 272 K HA 0.590 4.910 4.320 -0.000 0.000 0.244 272 K C -0.770 175.911 176.600 0.134 0.000 0.973 272 K CA -0.720 55.638 56.287 0.119 0.000 0.828 272 K CB 1.759 34.339 32.500 0.133 0.000 1.226 272 K HN 0.418 nan 8.250 nan 0.000 0.437 273 S N 2.110 117.873 115.700 0.105 0.000 2.422 273 S HA 0.154 4.624 4.470 -0.000 0.000 0.283 273 S C -1.367 173.289 174.600 0.095 0.000 1.163 273 S CA -1.618 56.641 58.200 0.098 0.000 1.054 273 S CB 0.349 63.593 63.200 0.074 0.000 0.967 273 S HN 0.525 nan 8.310 nan 0.000 0.499 274 P HA 0.034 nan 4.420 nan 0.000 0.226 274 P C -0.021 177.319 177.300 0.067 0.000 1.153 274 P CA 0.639 63.797 63.100 0.096 0.000 0.777 274 P CB 0.193 31.965 31.700 0.121 0.000 0.794 275 L N -1.419 119.843 121.223 0.064 0.000 2.279 275 L HA 0.377 4.717 4.340 -0.000 0.000 0.262 275 L C 0.401 177.299 176.870 0.047 0.000 1.019 275 L CA -1.041 53.829 54.840 0.050 0.000 0.823 275 L CB 1.958 44.047 42.059 0.050 0.000 1.358 275 L HN -0.332 nan 8.230 nan 0.000 0.432 276 S N 0.322 116.045 115.700 0.037 0.000 2.562 276 S HA 0.572 5.041 4.470 -0.000 0.000 0.275 276 S C -0.553 174.067 174.600 0.035 0.000 1.281 276 S CA -0.489 57.731 58.200 0.033 0.000 1.045 276 S CB 1.355 64.570 63.200 0.025 0.000 0.962 276 S HN 0.266 nan 8.310 nan 0.000 0.503 277 V N 4.056 123.989 119.914 0.032 0.000 2.623 277 V HA 0.353 4.473 4.120 -0.000 0.000 0.304 277 V C -0.152 175.955 176.094 0.022 0.000 1.054 277 V CA -0.996 61.322 62.300 0.029 0.000 0.882 277 V CB 1.848 33.687 31.823 0.026 0.000 1.002 277 V HN 0.743 nan 8.190 nan 0.000 0.424 278 K N 2.353 122.764 120.400 0.019 0.000 2.258 278 K HA 0.635 4.955 4.320 -0.000 0.000 0.264 278 K C 0.522 177.129 176.600 0.011 0.000 1.007 278 K CA -0.111 56.185 56.287 0.015 0.000 0.941 278 K CB 0.943 33.451 32.500 0.013 0.000 0.966 278 K HN 0.894 nan 8.250 nan 0.000 0.480 279 A N 1.051 123.877 122.820 0.010 0.000 2.540 279 A HA 0.344 4.664 4.320 -0.000 0.000 0.239 279 A C 1.220 178.805 177.584 0.002 0.000 1.061 279 A CA 0.933 52.974 52.037 0.008 0.000 0.758 279 A CB -0.644 18.362 19.000 0.009 0.000 0.991 279 A HN 0.919 nan 8.150 nan 0.000 0.502 280 G N 1.566 110.363 108.800 -0.004 0.000 2.284 280 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.230 280 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.230 280 G C 0.156 175.046 174.900 -0.017 0.000 1.021 280 G CA 0.424 45.517 45.100 -0.011 0.000 0.619 280 G HN 0.859 nan 8.290 nan 0.000 0.510 281 E N 0.587 120.780 120.200 -0.012 0.000 2.314 281 E HA 0.495 4.845 4.350 -0.000 0.000 0.262 281 E C 0.307 176.873 176.600 -0.055 0.000 1.093 281 E CA -0.490 55.901 56.400 -0.016 0.000 0.908 281 E CB 0.781 30.486 29.700 0.009 0.000 1.091 281 E HN 0.423 nan 8.360 nan 0.000 0.425 282 Q N 0.815 120.554 119.800 -0.102 0.000 2.299 282 Q HA 0.240 4.580 4.340 -0.000 0.000 0.246 282 Q C -1.245 174.570 176.000 -0.309 0.000 0.935 282 Q CA -0.472 55.164 55.803 -0.278 0.000 0.887 282 Q CB 1.065 29.491 28.738 -0.519 0.000 1.223 282 Q HN 0.248 nan 8.270 nan 0.000 0.439 283 V N 4.895 124.626 119.914 -0.305 0.000 2.370 283 V HA 0.325 4.444 4.120 -0.000 0.000 0.279 283 V C -0.959 174.987 176.094 -0.247 0.000 1.029 283 V CA -0.394 61.809 62.300 -0.163 0.000 0.870 283 V CB 0.228 32.026 31.823 -0.041 0.000 0.984 283 V HN 0.684 nan 8.190 nan 0.000 0.451 284 Y N 4.800 125.088 120.300 -0.020 0.000 2.587 284 Y HA 0.779 5.329 4.550 -0.000 0.000 0.337 284 Y C 0.380 176.247 175.900 -0.055 0.000 1.065 284 Y CA -0.945 57.118 58.100 -0.061 0.000 1.126 284 Y CB 1.970 40.343 38.460 -0.145 0.000 1.279 284 Y HN 0.623 nan 8.280 nan 0.000 0.489 285 I N -1.026 119.614 120.570 0.116 0.000 3.322 285 I HA 0.684 4.854 4.170 -0.000 0.000 0.313 285 I C -1.318 174.777 176.117 -0.037 0.000 1.129 285 I CA -1.501 59.799 61.300 0.001 0.000 0.963 285 I CB 2.095 39.978 38.000 -0.196 0.000 1.273 285 I HN 0.432 nan 8.210 nan 0.000 0.473 286 Q N 0.810 120.621 119.800 0.019 0.000 2.290 286 Q HA 0.389 4.729 4.340 -0.000 0.000 0.259 286 Q C -0.949 175.284 176.000 0.388 0.000 0.941 286 Q CA -0.154 55.713 55.803 0.107 0.000 0.912 286 Q CB 1.245 30.059 28.738 0.128 0.000 1.244 286 Q HN 0.732 nan 8.270 nan 0.000 0.441 287 Y N 1.630 122.131 120.300 0.335 0.000 2.286 287 Y HA 0.065 4.615 4.550 -0.000 0.000 0.293 287 Y C 0.346 176.346 175.900 0.167 0.000 1.124 287 Y CA 0.306 58.496 58.100 0.150 0.000 1.178 287 Y CB 0.950 39.359 38.460 -0.085 0.000 1.010 287 Y HN 0.579 nan 8.280 nan 0.000 0.536 288 D N -1.101 119.510 120.400 0.352 0.000 2.087 288 D HA 0.045 4.685 4.640 -0.000 0.000 0.161 288 D C -0.131 176.285 176.300 0.193 0.000 1.196 288 D CA -0.070 54.073 54.000 0.238 0.000 0.916 288 D CB 0.299 41.224 40.800 0.207 0.000 2.216 288 D HN 0.070 nan 8.370 nan 0.000 0.512 289 L N 2.331 123.647 121.223 0.154 0.000 2.265 289 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 289 L C 1.718 178.624 176.870 0.060 0.000 1.117 289 L CA 0.823 55.728 54.840 0.107 0.000 0.782 289 L CB -0.132 41.972 42.059 0.074 0.000 0.914 289 L HN 0.308 nan 8.230 nan 0.000 0.441 290 N N -0.511 118.222 118.700 0.054 0.000 2.392 290 N HA 0.032 4.772 4.740 -0.000 0.000 0.177 290 N C 0.409 175.973 175.510 0.089 0.000 1.066 290 N CA 0.286 53.334 53.050 -0.003 0.000 0.895 290 N CB 0.307 38.784 38.487 -0.016 0.000 0.988 290 N HN 0.315 nan 8.380 nan 0.000 0.457 291 K N 1.365 121.854 120.400 0.147 0.000 2.276 291 K HA 0.103 4.423 4.320 -0.000 0.000 0.259 291 K C 0.724 177.500 176.600 0.294 0.000 1.001 291 K CA -0.003 56.399 56.287 0.192 0.000 0.927 291 K CB 0.613 33.192 32.500 0.132 0.000 0.969 291 K HN 0.081 nan 8.250 nan 0.000 0.490 292 S N 0.681 116.538 115.700 0.262 0.000 2.713 292 S HA 0.183 4.653 4.470 -0.000 0.000 0.283 292 S C 0.855 175.490 174.600 0.058 0.000 1.161 292 S CA -0.888 57.420 58.200 0.181 0.000 0.999 292 S CB 1.129 64.249 63.200 -0.135 0.000 1.039 292 S HN 0.501 nan 8.310 nan 0.000 0.548 293 N N 1.080 119.808 118.700 0.046 0.000 2.149 293 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 293 N C 1.986 177.479 175.510 -0.029 0.000 1.019 293 N CA 1.562 54.626 53.050 0.023 0.000 0.857 293 N CB -1.087 37.457 38.487 0.096 0.000 0.997 293 N HN 0.820 nan 8.380 nan 0.000 0.426 294 A N 1.461 124.253 122.820 -0.047 0.000 1.908 294 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 294 A C 2.078 179.580 177.584 -0.137 0.000 1.181 294 A CA 1.501 53.477 52.037 -0.102 0.000 0.627 294 A CB -0.448 18.470 19.000 -0.137 0.000 0.818 294 A HN 0.386 nan 8.150 nan 0.000 0.445 295 E N -0.324 119.807 120.200 -0.116 0.000 2.107 295 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 295 E C 1.945 178.432 176.600 -0.188 0.000 0.982 295 E CA 0.824 57.139 56.400 -0.141 0.000 0.809 295 E CB -0.256 29.397 29.700 -0.077 0.000 0.756 295 E HN 0.630 nan 8.360 nan 0.000 0.459 296 L N 0.745 121.879 121.223 -0.148 0.000 2.083 296 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 296 L C 2.586 179.257 176.870 -0.332 0.000 1.083 296 L CA 0.900 55.606 54.840 -0.223 0.000 0.752 296 L CB -0.460 41.423 42.059 -0.293 0.000 0.899 296 L HN 0.137 nan 8.230 nan 0.000 0.433 297 A N 0.071 122.751 122.820 -0.233 0.000 1.873 297 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 297 A C 2.216 179.669 177.584 -0.217 0.000 1.186 297 A CA 1.617 53.545 52.037 -0.181 0.000 0.616 297 A CB -0.655 18.265 19.000 -0.133 0.000 0.823 297 A HN 0.323 nan 8.150 nan 0.000 0.442 298 L N -0.348 120.723 121.223 -0.253 0.000 2.056 298 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 298 L C 1.669 178.360 176.870 -0.299 0.000 1.078 298 L CA 2.330 57.014 54.840 -0.260 0.000 0.749 298 L CB -0.381 41.536 42.059 -0.237 0.000 0.901 298 L HN 0.316 nan 8.230 nan 0.000 0.433 299 D N -1.541 118.588 120.400 -0.453 0.000 2.091 299 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 299 D C 0.081 175.923 176.300 -0.763 0.000 0.980 299 D CA 1.401 54.957 54.000 -0.740 0.000 0.831 299 D CB -0.113 39.996 40.800 -1.151 0.000 0.987 299 D HN 0.326 nan 8.370 nan 0.000 0.460 300 Y N -1.111 119.091 120.300 -0.163 0.000 2.621 300 Y HA 0.582 5.132 4.550 -0.000 0.000 0.334 300 Y C 1.376 177.246 175.900 -0.049 0.000 1.074 300 Y CA -1.334 56.732 58.100 -0.056 0.000 1.149 300 Y CB 1.316 39.749 38.460 -0.045 0.000 1.302 300 Y HN -0.206 nan 8.280 nan 0.000 0.501 301 G N 0.967 109.965 108.800 0.331 0.000 3.574 301 G HA2 0.383 4.343 3.960 -0.000 0.000 0.262 301 G HA3 0.383 4.343 3.960 -0.000 0.000 0.262 301 G C -0.798 174.330 174.900 0.380 0.000 1.231 301 G CA 0.095 45.383 45.100 0.314 0.000 1.608 301 G HN 0.490 nan 8.290 nan 0.000 0.628 302 F N -1.093 118.971 119.950 0.190 0.000 2.831 302 F HA 0.794 5.321 4.527 -0.000 0.000 0.318 302 F C -1.117 174.744 175.800 0.102 0.000 1.174 302 F CA -2.246 55.836 58.000 0.136 0.000 0.918 302 F CB 1.202 40.254 39.000 0.087 0.000 1.364 302 F HN 0.121 nan 8.300 nan 0.000 0.475 303 I N -1.947 118.820 120.570 0.328 0.000 3.181 303 I HA 0.686 4.856 4.170 -0.000 0.000 0.311 303 I C -1.633 174.639 176.117 0.257 0.000 1.287 303 I CA -1.045 60.364 61.300 0.181 0.000 0.958 303 I CB 2.573 40.644 38.000 0.120 0.000 1.294 303 I HN 0.741 nan 8.210 nan 0.000 0.467 304 E N 1.815 122.102 120.200 0.145 0.000 2.249 304 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 304 E C -2.160 174.455 176.600 0.026 0.000 0.950 304 E CA -1.674 54.787 56.400 0.101 0.000 0.827 304 E CB 1.895 31.650 29.700 0.092 0.000 1.220 304 E HN 0.466 nan 8.360 nan 0.000 0.411 305 P HA -0.064 nan 4.420 nan 0.000 0.224 305 P C -0.012 177.249 177.300 -0.066 0.000 1.157 305 P CA 0.494 63.591 63.100 -0.005 0.000 0.799 305 P CB 0.165 31.871 31.700 0.010 0.000 0.809 306 N N 1.291 119.954 118.700 -0.062 0.000 2.386 306 N HA -0.121 4.618 4.740 -0.000 0.000 0.273 306 N C 1.158 176.549 175.510 -0.198 0.000 1.331 306 N CA 0.345 53.353 53.050 -0.071 0.000 0.891 306 N CB 0.080 38.557 38.487 -0.016 0.000 1.139 306 N HN 0.283 nan 8.380 nan 0.000 0.487 307 E N 2.377 122.488 120.200 -0.148 0.000 2.333 307 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 307 E C 0.190 176.780 176.600 -0.016 0.000 1.007 307 E CA 0.874 57.157 56.400 -0.195 0.000 0.845 307 E CB -0.143 29.521 29.700 -0.060 0.000 0.766 307 E HN 0.537 nan 8.360 nan 0.000 0.507 308 N N 0.553 119.299 118.700 0.078 0.000 2.515 308 N HA 0.001 4.741 4.740 -0.000 0.000 0.185 308 N C 1.160 176.814 175.510 0.240 0.000 1.109 308 N CA 0.277 53.451 53.050 0.206 0.000 0.903 308 N CB 0.128 38.705 38.487 0.150 0.000 0.969 308 N HN 0.189 nan 8.380 nan 0.000 0.450 309 R N 0.276 120.827 120.500 0.084 0.000 2.280 309 R HA 0.094 4.434 4.340 -0.000 0.000 0.195 309 R C -0.055 176.334 176.300 0.148 0.000 0.935 309 R CA 0.008 56.204 56.100 0.160 0.000 1.033 309 R CB -0.145 30.170 30.300 0.025 0.000 0.964 309 R HN 0.437 nan 8.270 nan 0.000 0.489 310 H N 0.193 119.340 119.070 0.128 0.000 2.899 310 H HA 0.315 4.871 4.556 -0.000 0.000 0.303 310 H C 0.042 175.329 175.328 -0.069 0.000 1.042 310 H CA -0.231 55.825 56.048 0.014 0.000 1.479 310 H CB 0.890 30.637 29.762 -0.025 0.000 1.493 310 H HN 0.155 nan 8.280 nan 0.000 0.534 311 A N 3.805 126.549 122.820 -0.127 0.000 2.566 311 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 311 A C -1.972 175.533 177.584 -0.131 0.000 1.112 311 A CA -0.630 51.175 52.037 -0.386 0.000 0.707 311 A CB 1.530 19.746 19.000 -1.307 0.000 1.302 311 A HN 0.694 nan 8.150 nan 0.000 0.409 312 Y N -0.006 120.194 120.300 -0.167 0.000 2.441 312 Y HA 0.550 5.100 4.550 -0.000 0.000 0.334 312 Y C -0.045 175.841 175.900 -0.022 0.000 1.061 312 Y CA 0.050 58.113 58.100 -0.062 0.000 1.032 312 Y CB 2.181 40.639 38.460 -0.004 0.000 1.266 312 Y HN 0.929 nan 8.280 nan 0.000 0.441 313 T N 5.940 120.468 114.554 -0.043 0.000 2.797 313 T HA 0.636 4.986 4.350 -0.000 0.000 0.279 313 T C -1.043 173.814 174.700 0.261 0.000 0.991 313 T CA -0.612 61.566 62.100 0.131 0.000 0.979 313 T CB 0.478 69.373 68.868 0.044 0.000 0.943 313 T HN 0.588 nan 8.240 nan 0.000 0.444 314 L N 3.476 124.879 121.223 0.299 0.000 2.334 314 L HA 0.557 4.897 4.340 -0.000 0.000 0.277 314 L C 0.803 177.802 176.870 0.215 0.000 1.075 314 L CA -0.941 54.047 54.840 0.246 0.000 0.804 314 L CB 1.743 43.900 42.059 0.163 0.000 1.174 314 L HN 0.775 nan 8.230 nan 0.000 0.438 315 T N 4.146 118.776 114.554 0.127 0.000 2.786 315 T HA 0.616 4.966 4.350 -0.000 0.000 0.283 315 T C -0.738 173.921 174.700 -0.070 0.000 0.992 315 T CA -0.502 61.588 62.100 -0.016 0.000 0.954 315 T CB 0.326 69.200 68.868 0.011 0.000 0.934 315 T HN 0.361 nan 8.240 nan 0.000 0.440 316 L N 5.091 126.222 121.223 -0.154 0.000 2.346 316 L HA 0.725 5.065 4.340 -0.000 0.000 0.276 316 L C -0.126 176.696 176.870 -0.081 0.000 1.006 316 L CA -0.934 53.837 54.840 -0.116 0.000 0.817 316 L CB 1.898 43.828 42.059 -0.217 0.000 1.272 316 L HN 0.788 nan 8.230 nan 0.000 0.421 317 E N 2.772 123.038 120.200 0.110 0.000 2.390 317 E HA 0.522 4.872 4.350 -0.000 0.000 0.277 317 E C -1.322 175.424 176.600 0.244 0.000 0.939 317 E CA -0.896 55.618 56.400 0.190 0.000 0.769 317 E CB 2.380 32.131 29.700 0.086 0.000 1.251 317 E HN 0.464 nan 8.360 nan 0.000 0.450 318 I N 2.393 123.121 120.570 0.263 0.000 2.281 318 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 318 I C 0.405 176.715 176.117 0.322 0.000 1.085 318 I CA -0.456 60.979 61.300 0.225 0.000 1.257 318 I CB 1.097 39.168 38.000 0.118 0.000 1.430 318 I HN 0.492 nan 8.210 nan 0.000 0.489 319 S N 4.643 120.477 115.700 0.225 0.000 2.560 319 S HA 0.026 4.495 4.470 -0.000 0.000 0.284 319 S C 1.258 175.945 174.600 0.145 0.000 1.327 319 S CA -0.184 58.107 58.200 0.152 0.000 1.055 319 S CB 0.553 63.801 63.200 0.081 0.000 0.868 319 S HN 0.651 nan 8.310 nan 0.000 0.506 320 E N 2.234 122.349 120.200 -0.142 0.000 2.418 320 E HA -0.080 4.270 4.350 -0.000 0.000 0.197 320 E C 1.625 178.060 176.600 -0.274 0.000 1.026 320 E CA 0.976 57.016 56.400 -0.601 0.000 0.862 320 E CB -0.024 29.264 29.700 -0.686 0.000 0.799 320 E HN 0.794 nan 8.360 nan 0.000 0.518 321 S N 0.524 116.161 115.700 -0.104 0.000 2.593 321 S HA -0.049 4.421 4.470 -0.000 0.000 0.217 321 S C 0.568 175.166 174.600 -0.004 0.000 0.966 321 S CA -0.259 57.906 58.200 -0.058 0.000 0.914 321 S CB 0.107 63.284 63.200 -0.038 0.000 0.776 321 S HN 0.003 nan 8.310 nan 0.000 0.523 322 D N 3.590 124.028 120.400 0.063 0.000 2.371 322 D HA 0.187 4.827 4.640 -0.000 0.000 0.256 322 D C -1.121 175.227 176.300 0.080 0.000 1.193 322 D CA -2.101 51.969 54.000 0.117 0.000 0.881 322 D CB 1.505 42.428 40.800 0.205 0.000 1.143 322 D HN 0.067 nan 8.370 nan 0.000 0.473 323 P HA -0.153 nan 4.420 nan 0.000 0.220 323 P C 0.469 177.491 177.300 -0.464 0.000 1.144 323 P CA 1.032 63.961 63.100 -0.286 0.000 0.800 323 P CB -0.033 31.411 31.700 -0.427 0.000 0.772 324 F N -2.728 117.259 119.950 0.061 0.000 2.772 324 F HA 0.262 4.789 4.527 -0.000 0.000 0.302 324 F C 1.782 177.619 175.800 0.061 0.000 1.136 324 F CA -0.986 57.039 58.000 0.042 0.000 1.322 324 F CB -0.796 38.197 39.000 -0.012 0.000 0.967 324 F HN -0.252 nan 8.300 nan 0.000 0.513 325 F N 1.928 121.923 119.950 0.075 0.000 2.021 325 F HA -0.355 4.172 4.527 -0.000 0.000 0.297 325 F C 2.220 178.055 175.800 0.058 0.000 1.152 325 F CA 2.251 60.284 58.000 0.055 0.000 1.201 325 F CB -0.382 38.631 39.000 0.023 0.000 0.951 325 F HN 0.026 nan 8.300 nan 0.000 0.504 326 D N 0.183 120.607 120.400 0.039 0.000 2.170 326 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 326 D C 1.915 178.148 176.300 -0.112 0.000 1.004 326 D CA 1.929 55.881 54.000 -0.080 0.000 0.860 326 D CB -0.544 40.322 40.800 0.110 0.000 0.931 326 D HN 0.487 nan 8.370 nan 0.000 0.448 327 D N 0.679 121.072 120.400 -0.012 0.000 2.097 327 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 327 D C 2.087 178.352 176.300 -0.058 0.000 0.984 327 D CA 0.730 54.732 54.000 0.003 0.000 0.826 327 D CB -0.018 40.831 40.800 0.082 0.000 0.973 327 D HN 0.262 nan 8.370 nan 0.000 0.460 328 K N 0.434 120.782 120.400 -0.087 0.000 2.063 328 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 328 K C 2.148 178.639 176.600 -0.182 0.000 1.048 328 K CA 0.533 56.741 56.287 -0.131 0.000 0.928 328 K CB -0.245 32.181 32.500 -0.124 0.000 0.713 328 K HN 0.029 nan 8.250 nan 0.000 0.442 329 L N 1.833 122.857 121.223 -0.331 0.000 2.131 329 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 329 L C 1.751 178.536 176.870 -0.141 0.000 1.092 329 L CA 1.908 56.562 54.840 -0.311 0.000 0.759 329 L CB -0.488 41.212 42.059 -0.598 0.000 0.903 329 L HN 0.151 nan 8.230 nan 0.000 0.435 330 D N -1.529 118.802 120.400 -0.115 0.000 2.117 330 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 330 D C 2.049 178.349 176.300 -0.001 0.000 0.982 330 D CA 1.352 55.327 54.000 -0.042 0.000 0.828 330 D CB 0.130 40.916 40.800 -0.024 0.000 0.967 330 D HN 0.204 nan 8.370 nan 0.000 0.464 331 V N 0.831 120.752 119.914 0.012 0.000 2.343 331 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 331 V C 2.576 178.749 176.094 0.132 0.000 1.051 331 V CA 1.700 64.054 62.300 0.091 0.000 1.036 331 V CB -1.002 30.879 31.823 0.098 0.000 0.654 331 V HN 0.350 nan 8.190 nan 0.000 0.451 332 A N 0.197 123.071 122.820 0.090 0.000 1.865 332 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 332 A C 2.192 179.853 177.584 0.129 0.000 1.191 332 A CA 2.068 54.195 52.037 0.151 0.000 0.623 332 A CB -0.534 18.522 19.000 0.093 0.000 0.826 332 A HN 0.647 nan 8.150 nan 0.000 0.444 333 E N -0.077 120.159 120.200 0.061 0.000 2.106 333 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 333 E C 2.012 178.595 176.600 -0.028 0.000 0.984 333 E CA 1.191 57.604 56.400 0.022 0.000 0.806 333 E CB -0.242 29.465 29.700 0.011 0.000 0.750 333 E HN 0.504 nan 8.360 nan 0.000 0.458 334 S N 0.915 116.602 115.700 -0.022 0.000 2.547 334 S HA -0.001 4.469 4.470 -0.000 0.000 0.235 334 S C 1.032 175.570 174.600 -0.104 0.000 0.980 334 S CA 0.424 58.600 58.200 -0.039 0.000 0.941 334 S CB -0.038 63.162 63.200 -0.000 0.000 0.763 334 S HN 0.245 nan 8.310 nan 0.000 0.532 335 N N 0.128 118.721 118.700 -0.178 0.000 2.238 335 N HA 0.197 4.937 4.740 -0.000 0.000 0.235 335 N C 0.604 175.836 175.510 -0.464 0.000 1.209 335 N CA 0.438 53.237 53.050 -0.418 0.000 0.879 335 N CB 1.332 39.306 38.487 -0.856 0.000 1.136 335 N HN 0.402 nan 8.380 nan 0.000 0.517 336 G N 0.926 109.527 108.800 -0.331 0.000 2.142 336 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.225 336 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.225 336 G C -0.360 174.121 174.900 -0.699 0.000 1.015 336 G CA -0.120 44.688 45.100 -0.487 0.000 0.716 336 G HN 0.263 nan 8.290 nan 0.000 0.508 337 F N -0.562 119.350 119.950 -0.062 0.000 2.629 337 F HA 0.827 5.354 4.527 -0.000 0.000 0.316 337 F C 0.466 176.315 175.800 0.082 0.000 1.081 337 F CA -0.352 57.684 58.000 0.060 0.000 0.954 337 F CB 1.688 40.848 39.000 0.267 0.000 1.337 337 F HN 0.322 nan 8.300 nan 0.000 0.474 338 A N 0.293 123.308 122.820 0.326 0.000 2.284 338 A HA 0.385 4.704 4.320 -0.000 0.000 0.317 338 A C 0.817 178.549 177.584 0.246 0.000 1.120 338 A CA -0.462 51.698 52.037 0.205 0.000 0.900 338 A CB 1.128 20.204 19.000 0.127 0.000 1.319 338 A HN 0.775 nan 8.150 nan 0.000 0.494 339 Q N -0.579 119.326 119.800 0.175 0.000 2.234 339 Q HA -0.085 4.255 4.340 -0.000 0.000 0.206 339 Q C -0.423 175.700 176.000 0.206 0.000 0.980 339 Q CA 1.522 57.441 55.803 0.194 0.000 0.869 339 Q CB -0.025 28.835 28.738 0.204 0.000 0.912 339 Q HN 0.694 nan 8.270 nan 0.000 0.436 340 T N 0.192 114.816 114.554 0.117 0.000 2.879 340 T HA 0.670 5.019 4.350 -0.000 0.000 0.290 340 T C -1.358 173.233 174.700 -0.182 0.000 0.993 340 T CA -0.337 61.735 62.100 -0.046 0.000 0.975 340 T CB 1.669 70.476 68.868 -0.101 0.000 0.981 340 T HN 0.209 nan 8.240 nan 0.000 0.439 341 A N 2.968 125.560 122.820 -0.380 0.000 2.374 341 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 341 A C -1.801 175.419 177.584 -0.606 0.000 1.094 341 A CA -0.718 51.063 52.037 -0.426 0.000 0.765 341 A CB 1.096 19.823 19.000 -0.455 0.000 1.268 341 A HN 0.819 nan 8.150 nan 0.000 0.438 342 Y N 0.085 120.220 120.300 -0.274 0.000 2.341 342 Y HA 0.608 5.157 4.550 -0.000 0.000 0.338 342 Y C -0.976 174.720 175.900 -0.339 0.000 0.965 342 Y CA -0.270 57.729 58.100 -0.169 0.000 1.108 342 Y CB 1.876 40.270 38.460 -0.110 0.000 1.180 342 Y HN 0.534 nan 8.280 nan 0.000 0.458 343 F N 2.742 122.774 119.950 0.136 0.000 2.460 343 F HA 0.338 4.865 4.527 -0.000 0.000 0.341 343 F C -0.383 175.511 175.800 0.157 0.000 1.130 343 F CA -1.227 56.855 58.000 0.137 0.000 0.962 343 F CB 1.183 40.234 39.000 0.085 0.000 1.171 343 F HN 0.414 nan 8.300 nan 0.000 0.436 344 D N 4.690 125.271 120.400 0.302 0.000 2.264 344 D HA 0.404 5.044 4.640 -0.000 0.000 0.250 344 D C -0.099 176.395 176.300 0.324 0.000 1.113 344 D CA 0.136 54.290 54.000 0.256 0.000 0.871 344 D CB 2.032 43.000 40.800 0.280 0.000 1.167 344 D HN 0.353 nan 8.370 nan 0.000 0.447 345 I N 2.491 123.201 120.570 0.233 0.000 2.382 345 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 345 I C -0.508 175.729 176.117 0.200 0.000 1.007 345 I CA -0.714 60.745 61.300 0.265 0.000 1.142 345 I CB 0.770 38.906 38.000 0.227 0.000 1.289 345 I HN 0.046 nan 8.210 nan 0.000 0.453 346 F N 5.029 125.079 119.950 0.167 0.000 2.399 346 F HA 0.306 4.833 4.527 -0.000 0.000 0.334 346 F C 0.334 176.252 175.800 0.197 0.000 1.097 346 F CA -0.452 57.658 58.000 0.183 0.000 1.076 346 F CB 0.721 39.807 39.000 0.144 0.000 1.162 346 F HN 0.299 nan 8.300 nan 0.000 0.495 347 Y N 4.203 124.661 120.300 0.263 0.000 2.805 347 Y HA -0.106 4.444 4.550 -0.000 0.000 0.337 347 Y C 1.236 177.242 175.900 0.177 0.000 1.252 347 Y CA 0.524 58.740 58.100 0.194 0.000 1.515 347 Y CB 0.130 38.711 38.460 0.201 0.000 1.305 347 Y HN 0.739 nan 8.280 nan 0.000 0.600 348 N N 1.194 119.610 118.700 -0.473 0.000 2.857 348 N HA -0.324 4.415 4.740 -0.000 0.000 0.242 348 N C -0.061 175.410 175.510 -0.064 0.000 0.983 348 N CA 1.493 54.367 53.050 -0.294 0.000 0.934 348 N CB -0.748 37.637 38.487 -0.169 0.000 1.115 348 N HN 0.727 nan 8.380 nan 0.000 0.593 349 R N 1.189 121.708 120.500 0.033 0.000 2.536 349 R HA 0.372 4.711 4.340 -0.000 0.000 0.279 349 R C 0.223 176.556 176.300 0.055 0.000 1.001 349 R CA -0.018 56.120 56.100 0.063 0.000 1.027 349 R CB 0.751 31.127 30.300 0.127 0.000 1.096 349 R HN 0.150 nan 8.270 nan 0.000 0.502 350 T N 0.997 115.577 114.554 0.044 0.000 2.899 350 T HA 0.223 4.573 4.350 -0.000 0.000 0.295 350 T C 0.809 175.558 174.700 0.081 0.000 1.033 350 T CA -0.730 61.393 62.100 0.039 0.000 1.084 350 T CB 0.486 69.368 68.868 0.022 0.000 0.979 350 T HN 0.393 nan 8.240 nan 0.000 0.532 351 L N 3.446 124.713 121.223 0.074 0.000 2.559 351 L HA 0.172 4.512 4.340 -0.000 0.000 0.282 351 L C -1.339 175.619 176.870 0.148 0.000 1.232 351 L CA -1.429 53.481 54.840 0.116 0.000 0.885 351 L CB -0.391 41.715 42.059 0.078 0.000 1.131 351 L HN 0.582 nan 8.230 nan 0.000 0.498 352 P HA 0.101 nan 4.420 nan 0.000 0.268 352 P C -2.480 174.990 177.300 0.284 0.000 1.205 352 P CA -1.088 62.176 63.100 0.275 0.000 0.771 352 P CB -0.149 31.788 31.700 0.395 0.000 0.858 353 P HA 0.042 nan 4.420 nan 0.000 0.269 353 P C 0.904 178.486 177.300 0.469 0.000 1.209 353 P CA 0.771 64.046 63.100 0.293 0.000 0.776 353 P CB 0.343 32.196 31.700 0.256 0.000 0.876 354 G N 1.363 110.421 108.800 0.428 0.000 2.279 354 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.223 354 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.223 354 G C 0.634 175.555 174.900 0.036 0.000 1.015 354 G CA 0.285 45.711 45.100 0.544 0.000 0.621 354 G HN 0.562 nan 8.290 nan 0.000 0.506 355 L N 1.259 122.307 121.223 -0.291 0.000 1.976 355 L HA 0.272 4.612 4.340 -0.000 0.000 0.209 355 L C 2.801 179.439 176.870 -0.386 0.000 1.071 355 L CA 2.693 56.990 54.840 -0.905 0.000 0.746 355 L CB -0.715 41.026 42.059 -0.530 0.000 0.890 355 L HN 0.410 nan 8.230 nan 0.000 0.432 356 L N 0.205 121.336 121.223 -0.152 0.000 1.989 356 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 356 L C -0.193 176.587 176.870 -0.150 0.000 1.071 356 L CA 1.713 56.503 54.840 -0.084 0.000 0.749 356 L CB -2.153 39.880 42.059 -0.044 0.000 0.890 356 L HN 0.313 nan 8.230 nan 0.000 0.431 357 P HA -0.239 nan 4.420 nan 0.000 0.218 357 P C 1.368 178.406 177.300 -0.436 0.000 1.149 357 P CA 1.615 64.458 63.100 -0.428 0.000 0.817 357 P CB -0.062 31.228 31.700 -0.682 0.000 0.785 358 Y N 0.416 120.485 120.300 -0.386 0.000 2.263 358 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 358 Y C 2.548 178.307 175.900 -0.234 0.000 1.130 358 Y CA 0.955 58.887 58.100 -0.281 0.000 1.179 358 Y CB -0.690 37.606 38.460 -0.273 0.000 0.998 358 Y HN -0.270 nan 8.280 nan 0.000 0.532 359 L N -0.181 121.029 121.223 -0.022 0.000 1.989 359 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 359 L C 2.541 179.360 176.870 -0.086 0.000 1.071 359 L CA 1.646 56.463 54.840 -0.038 0.000 0.749 359 L CB -0.477 41.542 42.059 -0.066 0.000 0.890 359 L HN 0.158 nan 8.230 nan 0.000 0.431 360 R N -0.514 119.906 120.500 -0.135 0.000 2.091 360 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 360 R C 2.184 178.356 176.300 -0.214 0.000 1.136 360 R CA 1.456 57.457 56.100 -0.165 0.000 0.959 360 R CB -0.644 29.541 30.300 -0.191 0.000 0.856 360 R HN 0.204 nan 8.270 nan 0.000 0.437 361 L N 0.724 121.779 121.223 -0.280 0.000 2.131 361 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 361 L C 1.997 178.729 176.870 -0.230 0.000 1.092 361 L CA 1.511 56.166 54.840 -0.310 0.000 0.759 361 L CB -0.166 41.636 42.059 -0.427 0.000 0.903 361 L HN -0.084 nan 8.230 nan 0.000 0.435 362 V N -0.166 119.647 119.914 -0.170 0.000 2.323 362 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 362 V C 2.524 178.582 176.094 -0.060 0.000 1.041 362 V CA 1.480 63.737 62.300 -0.072 0.000 1.025 362 V CB -0.968 30.867 31.823 0.021 0.000 0.656 362 V HN 0.566 nan 8.190 nan 0.000 0.451 363 A N -0.736 122.037 122.820 -0.079 0.000 2.238 363 A HA 0.077 4.397 4.320 -0.000 0.000 0.208 363 A C 1.787 179.306 177.584 -0.109 0.000 1.177 363 A CA 0.294 52.286 52.037 -0.075 0.000 0.804 363 A CB -0.370 18.587 19.000 -0.072 0.000 0.823 363 A HN 0.368 nan 8.150 nan 0.000 0.482 364 L N -0.133 120.997 121.223 -0.155 0.000 2.156 364 L HA -0.101 4.239 4.340 -0.000 0.000 0.248 364 L C 1.341 178.082 176.870 -0.215 0.000 1.108 364 L CA 2.535 57.239 54.840 -0.228 0.000 0.842 364 L CB -1.159 40.725 42.059 -0.292 0.000 0.950 364 L HN 1.164 nan 8.230 nan 0.000 0.441 365 G N -5.122 103.555 108.800 -0.205 0.000 2.541 365 G HA2 0.195 4.155 3.960 -0.000 0.000 0.686 365 G HA3 0.195 4.155 3.960 -0.000 0.000 0.686 365 G C 0.405 175.177 174.900 -0.214 0.000 1.286 365 G CA -0.139 44.878 45.100 -0.138 0.000 0.894 365 G HN 0.936 nan 8.290 nan 0.000 0.575 366 G N -0.787 107.981 108.800 -0.054 0.000 2.505 366 G HA2 0.107 4.067 3.960 -0.000 0.000 0.214 366 G HA3 0.107 4.067 3.960 -0.000 0.000 0.214 366 G C 1.997 176.857 174.900 -0.066 0.000 1.237 366 G CA 2.662 47.755 45.100 -0.010 0.000 0.802 366 G HN 1.608 nan 8.290 nan 0.000 0.549 367 T N 1.577 116.113 114.554 -0.030 0.000 2.602 367 T HA -0.206 4.143 4.350 -0.000 0.000 0.264 367 T C 1.677 176.395 174.700 0.030 0.000 1.085 367 T CA 1.850 63.950 62.100 0.001 0.000 1.164 367 T CB -0.429 68.429 68.868 -0.017 0.000 0.860 367 T HN 0.299 nan 8.240 nan 0.000 0.442 368 D N 1.041 121.373 120.400 -0.114 0.000 2.340 368 D HA 0.286 4.926 4.640 -0.000 0.000 0.220 368 D C 1.892 177.798 176.300 -0.657 0.000 1.039 368 D CA 0.430 54.237 54.000 -0.320 0.000 0.866 368 D CB -0.219 40.344 40.800 -0.396 0.000 0.913 368 D HN 0.452 nan 8.370 nan 0.000 0.523 369 A N 0.986 123.504 122.820 -0.504 0.000 2.178 369 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 369 A C 1.744 179.040 177.584 -0.480 0.000 1.157 369 A CA 0.355 51.978 52.037 -0.690 0.000 0.689 369 A CB -1.119 17.206 19.000 -1.124 0.000 0.787 369 A HN 0.366 nan 8.150 nan 0.000 0.465 370 F N -0.751 119.054 119.950 -0.241 0.000 2.250 370 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 370 F C 1.380 177.113 175.800 -0.113 0.000 1.077 370 F CA 1.002 58.929 58.000 -0.121 0.000 1.348 370 F CB -0.863 38.082 39.000 -0.092 0.000 1.040 370 F HN 0.112 nan 8.300 nan 0.000 0.509 371 L N 0.452 120.970 121.223 -1.176 0.000 2.353 371 L HA -0.110 4.230 4.340 -0.000 0.000 0.220 371 L C 2.020 178.728 176.870 -0.270 0.000 1.133 371 L CA 0.638 54.949 54.840 -0.882 0.000 0.798 371 L CB -0.521 40.862 42.059 -1.127 0.000 0.922 371 L HN 0.318 nan 8.230 nan 0.000 0.445 372 L N -1.106 119.980 121.223 -0.229 0.000 2.599 372 L HA 0.032 4.372 4.340 -0.000 0.000 0.230 372 L C 0.981 177.880 176.870 0.048 0.000 1.141 372 L CA -0.080 54.711 54.840 -0.081 0.000 0.877 372 L CB -0.292 41.700 42.059 -0.111 0.000 1.009 372 L HN 0.163 nan 8.230 nan 0.000 0.447 373 E N 0.326 120.598 120.200 0.121 0.000 2.392 373 E HA 0.010 4.360 4.350 -0.000 0.000 0.256 373 E C 1.337 178.014 176.600 0.129 0.000 1.145 373 E CA 0.378 56.865 56.400 0.144 0.000 0.929 373 E CB 1.019 30.835 29.700 0.193 0.000 0.998 373 E HN 0.095 nan 8.360 nan 0.000 0.442 374 S N 1.019 116.767 115.700 0.080 0.000 2.419 374 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 374 S C 1.851 176.466 174.600 0.024 0.000 1.016 374 S CA 0.794 59.027 58.200 0.054 0.000 0.974 374 S CB -0.184 63.037 63.200 0.035 0.000 0.786 374 S HN 0.467 nan 8.310 nan 0.000 0.492 375 L N 0.811 122.016 121.223 -0.029 0.000 2.043 375 L HA 0.059 4.399 4.340 -0.000 0.000 0.212 375 L C 1.693 178.410 176.870 -0.255 0.000 1.075 375 L CA 1.764 56.484 54.840 -0.200 0.000 0.752 375 L CB -0.747 41.087 42.059 -0.375 0.000 0.891 375 L HN 0.336 nan 8.230 nan 0.000 0.432 376 F N -1.485 118.519 119.950 0.091 0.000 2.727 376 F HA 0.175 4.702 4.527 -0.000 0.000 0.302 376 F C 1.982 177.841 175.800 0.097 0.000 1.097 376 F CA -0.328 57.741 58.000 0.114 0.000 1.330 376 F CB -0.211 38.847 39.000 0.098 0.000 1.084 376 F HN -0.116 nan 8.300 nan 0.000 0.578 377 R N 0.616 121.239 120.500 0.204 0.000 2.276 377 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 377 R C 0.724 177.113 176.300 0.149 0.000 1.161 377 R CA 1.084 57.275 56.100 0.152 0.000 1.007 377 R CB -0.628 29.730 30.300 0.096 0.000 0.867 377 R HN 0.328 nan 8.270 nan 0.000 0.472 378 D N -1.094 119.396 120.400 0.151 0.000 2.369 378 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 378 D C 0.748 177.141 176.300 0.155 0.000 1.077 378 D CA 0.722 54.799 54.000 0.128 0.000 0.842 378 D CB 0.773 41.625 40.800 0.087 0.000 0.947 378 D HN 0.333 nan 8.370 nan 0.000 0.509 379 T N -2.835 111.853 114.554 0.222 0.000 3.186 379 T HA 0.160 4.509 4.350 -0.000 0.000 0.292 379 T C 1.648 176.471 174.700 0.205 0.000 0.915 379 T CA -0.322 61.885 62.100 0.179 0.000 0.902 379 T CB -0.272 68.721 68.868 0.207 0.000 1.192 379 T HN 0.022 nan 8.240 nan 0.000 0.563 380 I N 0.139 120.876 120.570 0.278 0.000 2.179 380 I HA -0.044 4.126 4.170 -0.000 0.000 0.242 380 I C 2.211 178.397 176.117 0.115 0.000 1.088 380 I CA 1.301 62.722 61.300 0.201 0.000 1.357 380 I CB -0.069 38.010 38.000 0.132 0.000 1.051 380 I HN 0.450 nan 8.210 nan 0.000 0.409 381 W N 1.846 123.170 121.300 0.041 0.000 2.374 381 W HA -0.145 4.515 4.660 -0.000 0.000 0.288 381 W C 2.107 178.638 176.519 0.021 0.000 1.218 381 W CA 1.659 59.023 57.345 0.033 0.000 1.245 381 W CB -0.507 28.989 29.460 0.061 0.000 1.126 381 W HN 0.315 nan 8.180 nan 0.000 0.545 382 G N -0.748 108.105 108.800 0.089 0.000 2.402 382 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 382 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 382 G C 1.305 176.126 174.900 -0.132 0.000 1.162 382 G CA 0.963 46.045 45.100 -0.030 0.000 0.777 382 G HN 0.291 nan 8.290 nan 0.000 0.539 383 H N 0.337 119.397 119.070 -0.017 0.000 2.389 383 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 383 H C 2.699 177.938 175.328 -0.149 0.000 1.081 383 H CA 0.780 56.803 56.048 -0.040 0.000 1.345 383 H CB -0.184 29.541 29.762 -0.063 0.000 1.393 383 H HN 0.267 nan 8.280 nan 0.000 0.520 384 L N 0.567 121.680 121.223 -0.183 0.000 2.201 384 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 384 L C 2.230 178.898 176.870 -0.336 0.000 1.105 384 L CA 1.036 55.660 54.840 -0.361 0.000 0.775 384 L CB -0.183 41.462 42.059 -0.690 0.000 0.913 384 L HN 0.277 nan 8.230 nan 0.000 0.440 385 E N 0.034 120.058 120.200 -0.293 0.000 2.112 385 E HA -0.112 4.237 4.350 -0.000 0.000 0.190 385 E C 2.227 178.782 176.600 -0.076 0.000 0.979 385 E CA 0.794 57.095 56.400 -0.165 0.000 0.814 385 E CB 0.036 29.695 29.700 -0.068 0.000 0.762 385 E HN 0.477 nan 8.360 nan 0.000 0.460 386 L N 0.532 121.730 121.223 -0.042 0.000 2.341 386 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 386 L C 0.456 177.330 176.870 0.007 0.000 1.115 386 L CA 0.176 55.013 54.840 -0.006 0.000 0.820 386 L CB -0.110 41.969 42.059 0.033 0.000 0.944 386 L HN 0.070 nan 8.230 nan 0.000 0.452 387 S N -3.646 112.071 115.700 0.029 0.000 2.891 387 S HA -0.070 4.400 4.470 -0.000 0.000 0.716 387 S C -0.057 174.637 174.600 0.157 0.000 0.832 387 S CA -0.334 57.925 58.200 0.099 0.000 1.446 387 S CB -0.557 62.739 63.200 0.160 0.000 1.105 387 S HN -0.206 nan 8.310 nan 0.000 0.277 388 V N 1.552 121.527 119.914 0.102 0.000 2.543 388 V HA 0.539 4.659 4.120 -0.000 0.000 0.232 388 V C 1.318 177.418 176.094 0.009 0.000 1.087 388 V CA 1.452 63.742 62.300 -0.016 0.000 1.113 388 V CB -0.288 31.428 31.823 -0.179 0.000 0.779 388 V HN 1.803 nan 8.190 nan 0.000 0.495 389 S N -1.452 114.110 115.700 -0.230 0.000 2.596 389 S HA 0.439 4.909 4.470 -0.000 0.000 0.270 389 S C 0.262 174.178 174.600 -1.140 0.000 1.155 389 S CA -0.489 57.349 58.200 -0.604 0.000 0.827 389 S CB 2.278 65.301 63.200 -0.295 0.000 1.130 389 S HN 0.239 nan 8.310 nan 0.000 0.467 390 R N 0.385 120.034 120.500 -1.419 0.000 2.096 390 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 390 R C 0.785 176.865 176.300 -0.367 0.000 1.127 390 R CA 2.074 57.648 56.100 -0.876 0.000 0.968 390 R CB -0.553 29.520 30.300 -0.379 0.000 0.861 390 R HN 0.752 nan 8.270 nan 0.000 0.440 391 D N 0.141 120.365 120.400 -0.294 0.000 2.117 391 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 391 D C 1.574 177.784 176.300 -0.152 0.000 0.987 391 D CA 0.979 54.879 54.000 -0.168 0.000 0.829 391 D CB -0.499 40.221 40.800 -0.133 0.000 0.961 391 D HN 0.357 nan 8.370 nan 0.000 0.460 392 N N 1.045 119.629 118.700 -0.193 0.000 2.120 392 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 392 N C 1.689 177.140 175.510 -0.098 0.000 1.024 392 N CA 1.140 54.101 53.050 -0.150 0.000 0.852 392 N CB 0.128 38.509 38.487 -0.176 0.000 1.003 392 N HN 0.012 nan 8.380 nan 0.000 0.424 393 E N 1.073 121.218 120.200 -0.092 0.000 2.072 393 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 393 E C 1.802 178.416 176.600 0.023 0.000 0.985 393 E CA 1.071 57.480 56.400 0.015 0.000 0.801 393 E CB -0.213 29.563 29.700 0.126 0.000 0.750 393 E HN 0.422 nan 8.360 nan 0.000 0.452 394 E N -0.277 119.915 120.200 -0.013 0.000 2.153 394 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 394 E C 2.039 178.636 176.600 -0.004 0.000 0.988 394 E CA 0.713 57.114 56.400 0.002 0.000 0.811 394 E CB -0.071 29.618 29.700 -0.019 0.000 0.746 394 E HN 0.308 nan 8.360 nan 0.000 0.466 395 L N 0.592 121.799 121.223 -0.027 0.000 2.044 395 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 395 L C 2.477 179.328 176.870 -0.031 0.000 1.075 395 L CA 0.891 55.712 54.840 -0.032 0.000 0.747 395 L CB -0.263 41.768 42.059 -0.047 0.000 0.903 395 L HN 0.284 nan 8.230 nan 0.000 0.435 396 L N -2.724 118.484 121.223 -0.025 0.000 2.141 396 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 396 L C 2.488 179.333 176.870 -0.041 0.000 1.094 396 L CA 1.356 56.175 54.840 -0.036 0.000 0.763 396 L CB -1.725 40.325 42.059 -0.015 0.000 0.908 396 L HN 0.104 nan 8.230 nan 0.000 0.437 397 C N 0.312 119.642 119.300 0.051 0.000 2.413 397 C HA -0.164 4.296 4.460 -0.000 0.000 0.278 397 C C 2.929 177.911 174.990 -0.013 0.000 1.224 397 C CA 1.449 60.534 59.018 0.112 0.000 1.732 397 C CB -0.851 26.994 27.740 0.175 0.000 2.050 397 C HN 0.690 nan 8.230 nan 0.000 0.463 398 K N 0.815 121.210 120.400 -0.008 0.000 2.103 398 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 398 K C 2.049 178.612 176.600 -0.062 0.000 1.048 398 K CA 1.617 57.888 56.287 -0.026 0.000 0.930 398 K CB -0.296 32.194 32.500 -0.016 0.000 0.716 398 K HN 0.442 nan 8.250 nan 0.000 0.444 399 A N 0.530 123.302 122.820 -0.079 0.000 1.883 399 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 399 A C 2.245 179.744 177.584 -0.143 0.000 1.186 399 A CA 1.859 53.840 52.037 -0.093 0.000 0.624 399 A CB -0.759 18.188 19.000 -0.088 0.000 0.822 399 A HN 0.170 nan 8.150 nan 0.000 0.444 400 V N 0.218 119.985 119.914 -0.245 0.000 2.261 400 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 400 V C 2.660 178.601 176.094 -0.255 0.000 1.047 400 V CA 2.269 64.349 62.300 -0.366 0.000 1.015 400 V CB -0.878 30.438 31.823 -0.845 0.000 0.642 400 V HN 0.532 nan 8.190 nan 0.000 0.446 401 R N -0.186 120.202 120.500 -0.186 0.000 2.091 401 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 401 R C 2.268 178.525 176.300 -0.070 0.000 1.136 401 R CA 1.453 57.500 56.100 -0.088 0.000 0.959 401 R CB -0.412 29.874 30.300 -0.024 0.000 0.856 401 R HN 0.522 nan 8.270 nan 0.000 0.437 402 E N 0.690 120.849 120.200 -0.067 0.000 2.110 402 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 402 E C 2.014 178.583 176.600 -0.051 0.000 0.988 402 E CA 1.241 57.613 56.400 -0.047 0.000 0.804 402 E CB -0.194 29.482 29.700 -0.040 0.000 0.745 402 E HN 0.342 nan 8.360 nan 0.000 0.458 403 A N 0.870 123.646 122.820 -0.074 0.000 1.902 403 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 403 A C 2.655 180.195 177.584 -0.072 0.000 1.181 403 A CA 1.481 53.478 52.037 -0.067 0.000 0.623 403 A CB -0.935 18.014 19.000 -0.086 0.000 0.818 403 A HN 0.344 nan 8.150 nan 0.000 0.443 404 C N -0.461 118.779 119.300 -0.100 0.000 2.436 404 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 404 C C 2.737 177.695 174.990 -0.053 0.000 1.241 404 C CA 1.351 60.306 59.018 -0.105 0.000 1.721 404 C CB -1.137 26.542 27.740 -0.102 0.000 2.043 404 C HN 0.638 nan 8.230 nan 0.000 0.472 405 K N 0.784 121.163 120.400 -0.035 0.000 2.032 405 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 405 K C 2.339 178.943 176.600 0.006 0.000 1.048 405 K CA 1.756 58.036 56.287 -0.011 0.000 0.927 405 K CB -0.504 31.990 32.500 -0.010 0.000 0.712 405 K HN 0.405 nan 8.250 nan 0.000 0.441 406 S N 0.561 116.260 115.700 -0.002 0.000 2.359 406 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 406 S C 2.099 176.716 174.600 0.028 0.000 1.035 406 S CA 1.392 59.597 58.200 0.009 0.000 1.018 406 S CB -0.306 62.894 63.200 -0.001 0.000 0.876 406 S HN 0.406 nan 8.310 nan 0.000 0.448 407 A N 1.499 124.337 122.820 0.031 0.000 1.865 407 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 407 A C 2.202 179.908 177.584 0.203 0.000 1.191 407 A CA 1.631 53.717 52.037 0.082 0.000 0.623 407 A CB -1.014 18.016 19.000 0.049 0.000 0.826 407 A HN 0.575 nan 8.150 nan 0.000 0.444 408 L N -0.843 120.484 121.223 0.173 0.000 2.189 408 L HA -0.230 4.110 4.340 -0.000 0.000 0.214 408 L C 2.756 179.781 176.870 0.258 0.000 1.097 408 L CA 0.963 55.931 54.840 0.213 0.000 0.764 408 L CB -0.392 41.692 42.059 0.041 0.000 0.900 408 L HN 0.472 nan 8.230 nan 0.000 0.436 409 A N -0.445 122.464 122.820 0.149 0.000 2.238 409 A HA 0.123 4.443 4.320 -0.000 0.000 0.208 409 A C 2.139 179.778 177.584 0.092 0.000 1.177 409 A CA 0.875 52.975 52.037 0.105 0.000 0.804 409 A CB -0.513 18.520 19.000 0.055 0.000 0.823 409 A HN 0.408 nan 8.150 nan 0.000 0.482 410 G N -1.613 107.228 108.800 0.069 0.000 2.777 410 G HA2 0.242 4.202 3.960 -0.000 0.000 0.211 410 G HA3 0.242 4.202 3.960 -0.000 0.000 0.211 410 G C 0.228 175.051 174.900 -0.129 0.000 1.149 410 G CA -0.048 45.011 45.100 -0.069 0.000 0.785 410 G HN 0.430 nan 8.290 nan 0.000 0.536 411 Y N 0.789 121.122 120.300 0.054 0.000 2.299 411 Y HA 0.252 4.802 4.550 -0.000 0.000 0.326 411 Y C 1.671 177.608 175.900 0.062 0.000 1.164 411 Y CA -0.833 57.300 58.100 0.055 0.000 1.234 411 Y CB 0.870 39.325 38.460 -0.008 0.000 1.219 411 Y HN 0.311 nan 8.280 nan 0.000 0.497 412 H N -0.320 118.836 119.070 0.143 0.000 2.526 412 H HA 0.195 4.751 4.556 -0.000 0.000 0.274 412 H C -0.567 174.812 175.328 0.085 0.000 0.999 412 H CA 0.494 56.595 56.048 0.089 0.000 1.157 412 H CB -0.163 29.632 29.762 0.055 0.000 1.407 412 H HN 0.549 nan 8.280 nan 0.000 0.568 413 T N -1.056 113.362 114.554 -0.226 0.000 2.916 413 T HA 0.382 4.732 4.350 -0.000 0.000 0.305 413 T C 0.042 174.686 174.700 -0.094 0.000 1.119 413 T CA -0.508 61.485 62.100 -0.179 0.000 1.008 413 T CB 2.394 71.089 68.868 -0.289 0.000 1.129 413 T HN 0.288 nan 8.240 nan 0.000 0.480 414 T N 0.105 114.622 114.554 -0.062 0.000 2.849 414 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 414 T C 1.611 176.263 174.700 -0.080 0.000 1.004 414 T CA -0.989 61.076 62.100 -0.059 0.000 1.021 414 T CB 0.327 69.174 68.868 -0.034 0.000 1.013 414 T HN 0.584 nan 8.240 nan 0.000 0.527 415 I N 0.591 121.108 120.570 -0.088 0.000 2.226 415 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 415 I C 2.560 178.640 176.117 -0.061 0.000 1.100 415 I CA 1.480 62.724 61.300 -0.094 0.000 1.374 415 I CB -0.441 37.502 38.000 -0.095 0.000 1.057 415 I HN 0.702 nan 8.210 nan 0.000 0.413 416 E N 0.635 120.809 120.200 -0.044 0.000 2.160 416 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 416 E C 2.138 178.723 176.600 -0.025 0.000 0.991 416 E CA 1.141 57.524 56.400 -0.028 0.000 0.810 416 E CB -0.207 29.482 29.700 -0.019 0.000 0.742 416 E HN 0.529 nan 8.360 nan 0.000 0.466 417 Q N 0.139 119.921 119.800 -0.031 0.000 2.083 417 Q HA -0.126 4.213 4.340 -0.000 0.000 0.198 417 Q C 1.511 177.495 176.000 -0.027 0.000 0.969 417 Q CA 1.126 56.914 55.803 -0.025 0.000 0.838 417 Q CB 0.062 28.783 28.738 -0.029 0.000 0.900 417 Q HN 0.290 nan 8.270 nan 0.000 0.436 418 D N 0.733 121.108 120.400 -0.042 0.000 2.084 418 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 418 D C 1.890 178.178 176.300 -0.021 0.000 0.990 418 D CA 1.161 55.139 54.000 -0.037 0.000 0.826 418 D CB -0.156 40.608 40.800 -0.060 0.000 0.971 418 D HN 0.154 nan 8.370 nan 0.000 0.453 419 R N 0.632 121.117 120.500 -0.025 0.000 2.139 419 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 419 R C 2.239 178.536 176.300 -0.005 0.000 1.145 419 R CA 1.227 57.319 56.100 -0.013 0.000 0.976 419 R CB -0.169 30.121 30.300 -0.017 0.000 0.866 419 R HN 0.375 nan 8.270 nan 0.000 0.449 420 E N 1.071 121.268 120.200 -0.006 0.000 2.046 420 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 420 E C 1.980 178.582 176.600 0.003 0.000 0.982 420 E CA 0.731 57.130 56.400 -0.001 0.000 0.800 420 E CB -0.022 29.678 29.700 -0.001 0.000 0.756 420 E HN 0.234 nan 8.360 nan 0.000 0.449 421 L N 1.000 122.225 121.223 0.003 0.000 2.051 421 L HA -0.260 4.080 4.340 -0.000 0.000 0.214 421 L C 2.656 179.532 176.870 0.011 0.000 1.076 421 L CA 1.661 56.506 54.840 0.008 0.000 0.758 421 L CB -0.363 41.702 42.059 0.010 0.000 0.890 421 L HN 0.111 nan 8.230 nan 0.000 0.433 422 K N -0.528 119.880 120.400 0.012 0.000 2.147 422 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 422 K C 1.954 178.563 176.600 0.014 0.000 1.049 422 K CA 1.072 57.369 56.287 0.017 0.000 0.936 422 K CB -0.082 32.429 32.500 0.020 0.000 0.722 422 K HN 0.120 nan 8.250 nan 0.000 0.446 423 E N 0.606 120.812 120.200 0.010 0.000 2.401 423 E HA -0.059 4.291 4.350 -0.000 0.000 0.199 423 E C 0.783 177.389 176.600 0.009 0.000 1.023 423 E CA 0.555 56.961 56.400 0.009 0.000 0.859 423 E CB -0.047 29.657 29.700 0.007 0.000 0.780 423 E HN 0.354 nan 8.360 nan 0.000 0.523 424 G N -0.859 107.947 108.800 0.009 0.000 2.702 424 G HA2 0.224 4.184 3.960 -0.000 0.000 0.254 424 G HA3 0.224 4.184 3.960 -0.000 0.000 0.254 424 G C -0.504 174.402 174.900 0.010 0.000 1.380 424 G CA -0.688 44.417 45.100 0.009 0.000 1.042 424 G HN 0.016 nan 8.290 nan 0.000 0.557 425 N N 0.315 119.020 118.700 0.008 0.000 2.444 425 N HA 0.432 5.172 4.740 -0.000 0.000 0.262 425 N C -1.127 174.387 175.510 0.007 0.000 0.974 425 N CA -0.360 52.695 53.050 0.008 0.000 0.933 425 N CB 1.909 40.399 38.487 0.006 0.000 1.137 425 N HN 0.018 nan 8.380 nan 0.000 0.498 426 L N 1.355 122.584 121.223 0.010 0.000 2.330 426 L HA 0.322 4.662 4.340 -0.000 0.000 0.271 426 L C 0.555 177.426 176.870 0.001 0.000 1.013 426 L CA -0.923 53.921 54.840 0.006 0.000 0.816 426 L CB 1.056 43.123 42.059 0.014 0.000 1.287 426 L HN 0.500 nan 8.230 nan 0.000 0.435 427 D N -0.290 120.100 120.400 -0.016 0.000 2.399 427 D HA 0.040 4.680 4.640 -0.000 0.000 0.241 427 D C 1.191 177.476 176.300 -0.025 0.000 1.133 427 D CA 0.523 54.506 54.000 -0.029 0.000 0.890 427 D CB 1.050 41.816 40.800 -0.057 0.000 1.201 427 D HN 0.575 nan 8.370 nan 0.000 0.432 428 S N 3.494 119.189 115.700 -0.008 0.000 2.372 428 S HA -0.342 4.128 4.470 -0.000 0.000 0.227 428 S C 1.772 176.382 174.600 0.016 0.000 1.044 428 S CA 1.211 59.429 58.200 0.030 0.000 1.050 428 S CB -0.423 62.813 63.200 0.059 0.000 0.901 428 S HN 0.648 nan 8.310 nan 0.000 0.447 429 R N 0.209 120.635 120.500 -0.122 0.000 2.115 429 R HA 0.175 4.514 4.340 -0.000 0.000 0.226 429 R C 2.410 178.522 176.300 -0.314 0.000 1.100 429 R CA 1.069 56.954 56.100 -0.358 0.000 0.980 429 R CB -0.522 29.235 30.300 -0.905 0.000 0.875 429 R HN 0.426 nan 8.270 nan 0.000 0.445 430 L N 0.765 121.877 121.223 -0.185 0.000 2.072 430 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 430 L C 2.232 179.117 176.870 0.026 0.000 1.079 430 L CA 1.767 56.560 54.840 -0.078 0.000 0.752 430 L CB -0.644 41.383 42.059 -0.054 0.000 0.906 430 L HN 0.088 nan 8.230 nan 0.000 0.436 431 A N -0.088 122.754 122.820 0.037 0.000 1.908 431 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 431 A C 2.287 179.951 177.584 0.133 0.000 1.181 431 A CA 2.287 54.370 52.037 0.077 0.000 0.627 431 A CB -0.937 18.107 19.000 0.073 0.000 0.818 431 A HN 0.531 nan 8.150 nan 0.000 0.445 432 I N -0.473 120.212 120.570 0.192 0.000 2.179 432 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 432 I C 3.003 179.297 176.117 0.295 0.000 1.088 432 I CA 1.057 62.524 61.300 0.278 0.000 1.357 432 I CB -0.394 37.874 38.000 0.447 0.000 1.051 432 I HN 0.370 nan 8.210 nan 0.000 0.409 433 A N 0.410 123.455 122.820 0.375 0.000 1.902 433 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 433 A C 2.425 180.123 177.584 0.189 0.000 1.181 433 A CA 1.817 54.059 52.037 0.342 0.000 0.623 433 A CB -0.961 18.257 19.000 0.363 0.000 0.818 433 A HN 0.246 nan 8.150 nan 0.000 0.443 434 V N -0.193 119.802 119.914 0.135 0.000 2.307 434 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 434 V C 2.819 178.947 176.094 0.056 0.000 1.045 434 V CA 1.984 64.329 62.300 0.076 0.000 1.024 434 V CB -1.424 30.431 31.823 0.054 0.000 0.651 434 V HN 0.611 nan 8.190 nan 0.000 0.449 435 G N -0.128 108.726 108.800 0.090 0.000 2.408 435 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 435 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 435 G C 1.498 176.448 174.900 0.082 0.000 1.150 435 G CA 0.728 45.891 45.100 0.106 0.000 0.776 435 G HN 0.335 nan 8.290 nan 0.000 0.542 436 I N 1.974 122.600 120.570 0.093 0.000 2.072 436 I HA -0.172 3.998 4.170 -0.000 0.000 0.235 436 I C 3.052 179.156 176.117 -0.022 0.000 1.058 436 I CA 1.773 63.106 61.300 0.054 0.000 1.320 436 I CB -1.078 36.967 38.000 0.075 0.000 1.047 436 I HN 0.362 nan 8.210 nan 0.000 0.397 437 R N 1.392 121.916 120.500 0.041 0.000 2.103 437 R HA -0.245 4.095 4.340 -0.000 0.000 0.242 437 R C 2.005 178.202 176.300 -0.171 0.000 1.142 437 R CA 2.082 58.204 56.100 0.036 0.000 0.960 437 R CB -0.940 29.447 30.300 0.145 0.000 0.858 437 R HN 0.499 nan 8.270 nan 0.000 0.439 438 E N 0.805 120.906 120.200 -0.165 0.000 2.038 438 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 438 E C 2.109 178.480 176.600 -0.381 0.000 1.000 438 E CA 1.647 57.905 56.400 -0.235 0.000 0.803 438 E CB -0.436 29.167 29.700 -0.162 0.000 0.750 438 E HN 0.549 nan 8.360 nan 0.000 0.448 439 G N 0.841 109.286 108.800 -0.593 0.000 2.446 439 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 439 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 439 G C 1.393 176.003 174.900 -0.482 0.000 1.168 439 G CA 0.981 45.407 45.100 -1.123 0.000 0.771 439 G HN 0.366 nan 8.290 nan 0.000 0.551 440 E N 0.297 120.347 120.200 -0.251 0.000 2.110 440 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 440 E C 2.555 179.068 176.600 -0.145 0.000 0.988 440 E CA 0.910 57.296 56.400 -0.023 0.000 0.804 440 E CB -0.063 29.735 29.700 0.162 0.000 0.745 440 E HN 0.421 nan 8.360 nan 0.000 0.458 441 K N 0.171 120.360 120.400 -0.352 0.000 2.097 441 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 441 K C 2.174 178.657 176.600 -0.195 0.000 1.050 441 K CA 1.081 57.144 56.287 -0.372 0.000 0.938 441 K CB -0.081 32.159 32.500 -0.434 0.000 0.718 441 K HN 0.141 nan 8.250 nan 0.000 0.442 442 M N 0.498 119.989 119.600 -0.183 0.000 2.086 442 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 442 M C 2.273 178.636 176.300 0.106 0.000 1.067 442 M CA 1.443 56.702 55.300 -0.068 0.000 1.116 442 M CB -0.335 32.114 32.600 -0.252 0.000 1.348 442 M HN -0.053 nan 8.290 nan 0.000 0.407 443 V N 0.379 120.350 119.914 0.095 0.000 2.270 443 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 443 V C 2.347 178.462 176.094 0.035 0.000 1.043 443 V CA 1.380 63.782 62.300 0.169 0.000 1.014 443 V CB -0.655 31.275 31.823 0.178 0.000 0.645 443 V HN 0.319 nan 8.190 nan 0.000 0.447 444 L N -0.143 121.024 121.223 -0.093 0.000 1.997 444 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 444 L C 2.571 179.396 176.870 -0.075 0.000 1.074 444 L CA 1.980 56.710 54.840 -0.184 0.000 0.763 444 L CB -1.199 40.715 42.059 -0.242 0.000 0.890 444 L HN 0.402 nan 8.230 nan 0.000 0.434 445 Q N -1.428 118.347 119.800 -0.042 0.000 2.170 445 Q HA -0.266 4.074 4.340 -0.000 0.000 0.203 445 Q C 2.202 178.222 176.000 0.034 0.000 0.976 445 Q CA 1.580 57.380 55.803 -0.005 0.000 0.858 445 Q CB -0.104 28.632 28.738 -0.003 0.000 0.907 445 Q HN 0.605 nan 8.270 nan 0.000 0.433 446 Q N 0.483 120.323 119.800 0.066 0.000 2.172 446 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 446 Q C 1.878 177.916 176.000 0.064 0.000 0.964 446 Q CA 0.719 56.559 55.803 0.061 0.000 0.855 446 Q CB 0.124 28.901 28.738 0.064 0.000 0.918 446 Q HN 0.397 nan 8.270 nan 0.000 0.444 447 I N 0.733 121.350 120.570 0.078 0.000 2.163 447 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 447 I C 2.011 178.250 176.117 0.204 0.000 1.081 447 I CA 1.608 62.997 61.300 0.148 0.000 1.353 447 I CB -0.312 37.735 38.000 0.077 0.000 1.054 447 I HN 0.309 nan 8.210 nan 0.000 0.407 448 D N 0.768 121.223 120.400 0.091 0.000 2.182 448 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 448 D C 2.165 178.528 176.300 0.106 0.000 0.986 448 D CA 1.419 55.471 54.000 0.086 0.000 0.847 448 D CB -0.050 40.761 40.800 0.019 0.000 0.942 448 D HN 0.304 nan 8.370 nan 0.000 0.467 449 G N 0.242 109.087 108.800 0.075 0.000 2.394 449 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 449 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 449 G C 1.705 176.626 174.900 0.036 0.000 1.165 449 G CA 0.508 45.636 45.100 0.046 0.000 0.784 449 G HN 0.329 nan 8.290 nan 0.000 0.535 450 I N -0.173 120.421 120.570 0.040 0.000 2.127 450 I HA -0.155 4.015 4.170 -0.000 0.000 0.241 450 I C 2.278 178.308 176.117 -0.144 0.000 1.075 450 I CA 1.131 62.389 61.300 -0.069 0.000 1.334 450 I CB -0.259 37.679 38.000 -0.104 0.000 1.040 450 I HN 0.075 nan 8.210 nan 0.000 0.405 451 F N 0.682 120.620 119.950 -0.021 0.000 2.604 451 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 451 F C 2.410 178.201 175.800 -0.015 0.000 1.131 451 F CA 0.878 58.866 58.000 -0.020 0.000 1.457 451 F CB -0.346 38.639 39.000 -0.025 0.000 1.095 451 F HN 0.156 nan 8.300 nan 0.000 0.574 452 E N -0.223 120.043 120.200 0.111 0.000 2.076 452 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 452 E C 2.147 178.761 176.600 0.023 0.000 0.979 452 E CA 0.599 57.037 56.400 0.063 0.000 0.807 452 E CB 0.044 29.771 29.700 0.046 0.000 0.761 452 E HN 0.216 nan 8.360 nan 0.000 0.454 453 Q N 0.988 120.783 119.800 -0.008 0.000 2.084 453 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 453 Q C 2.049 178.025 176.000 -0.040 0.000 0.978 453 Q CA 1.273 57.057 55.803 -0.031 0.000 0.844 453 Q CB -0.112 28.592 28.738 -0.057 0.000 0.898 453 Q HN 0.247 nan 8.270 nan 0.000 0.426 454 K N 0.568 120.927 120.400 -0.069 0.000 2.074 454 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 454 K C 1.884 178.485 176.600 0.002 0.000 1.048 454 K CA 1.411 57.657 56.287 -0.068 0.000 0.926 454 K CB -0.007 32.414 32.500 -0.131 0.000 0.713 454 K HN 0.296 nan 8.250 nan 0.000 0.444 455 E N 0.352 120.571 120.200 0.031 0.000 2.268 455 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 455 E C 1.855 178.471 176.600 0.026 0.000 0.995 455 E CA 0.684 57.109 56.400 0.042 0.000 0.836 455 E CB 0.060 29.790 29.700 0.049 0.000 0.763 455 E HN 0.296 nan 8.360 nan 0.000 0.491 456 L N 0.373 121.604 121.223 0.012 0.000 2.249 456 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 456 L C 1.403 178.274 176.870 0.003 0.000 1.090 456 L CA 0.739 55.583 54.840 0.007 0.000 0.802 456 L CB -0.022 42.036 42.059 -0.001 0.000 0.947 456 L HN 0.030 nan 8.230 nan 0.000 0.453 457 E N 0.131 120.327 120.200 -0.006 0.000 2.394 457 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 457 E C 1.488 178.089 176.600 0.001 0.000 1.044 457 E CA -0.262 56.130 56.400 -0.014 0.000 0.939 457 E CB 0.378 30.056 29.700 -0.037 0.000 1.089 457 E HN 0.163 nan 8.360 nan 0.000 0.456 458 L N 1.402 122.645 121.223 0.033 0.000 2.189 458 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 458 L C 1.193 178.141 176.870 0.130 0.000 1.097 458 L CA 1.786 56.680 54.840 0.090 0.000 0.764 458 L CB -0.003 42.107 42.059 0.085 0.000 0.900 458 L HN 0.065 nan 8.230 nan 0.000 0.436 459 D N -1.865 118.578 120.400 0.072 0.000 2.340 459 D HA 0.026 4.666 4.640 -0.000 0.000 0.217 459 D C 1.687 177.986 176.300 -0.002 0.000 1.081 459 D CA 0.219 54.263 54.000 0.072 0.000 0.842 459 D CB 0.387 41.219 40.800 0.054 0.000 0.934 459 D HN 0.491 nan 8.370 nan 0.000 0.511 460 Q N -0.289 119.485 119.800 -0.045 0.000 2.396 460 Q HA 0.186 4.526 4.340 -0.000 0.000 0.209 460 Q C 0.682 176.587 176.000 -0.159 0.000 0.906 460 Q CA 0.105 55.859 55.803 -0.081 0.000 0.927 460 Q CB 1.140 29.840 28.738 -0.063 0.000 1.069 460 Q HN 0.216 nan 8.270 nan 0.000 0.523 461 L N 1.596 122.657 121.223 -0.269 0.000 2.452 461 L HA 0.090 4.430 4.340 -0.000 0.000 0.267 461 L C 0.126 176.647 176.870 -0.582 0.000 1.188 461 L CA 0.192 54.755 54.840 -0.460 0.000 0.821 461 L CB 0.614 42.264 42.059 -0.681 0.000 1.102 461 L HN 0.077 nan 8.230 nan 0.000 0.470 462 E N 2.339 122.275 120.200 -0.441 0.000 2.103 462 E HA 0.228 4.577 4.350 -0.000 0.000 0.254 462 E C -1.151 175.299 176.600 -0.251 0.000 0.940 462 E CA -0.301 55.927 56.400 -0.286 0.000 0.771 462 E CB 0.600 30.217 29.700 -0.139 0.000 1.153 462 E HN 0.322 nan 8.360 nan 0.000 0.428 463 Y N 0.360 120.668 120.300 0.012 0.000 2.279 463 Y HA -0.157 4.392 4.550 -0.000 0.000 0.350 463 Y C 1.764 177.704 175.900 0.067 0.000 1.288 463 Y CA -0.240 57.883 58.100 0.039 0.000 1.547 463 Y CB 0.144 38.626 38.460 0.036 0.000 1.381 463 Y HN 0.522 nan 8.280 nan 0.000 0.630 464 Y N 0.800 121.197 120.300 0.161 0.000 1.967 464 Y HA -0.433 4.117 4.550 -0.000 0.000 0.260 464 Y C 2.375 178.308 175.900 0.055 0.000 1.181 464 Y CA 2.391 60.524 58.100 0.056 0.000 1.097 464 Y CB -0.394 38.037 38.460 -0.049 0.000 0.934 464 Y HN 0.579 nan 8.280 nan 0.000 0.492 465 Q N 0.328 120.177 119.800 0.082 0.000 2.062 465 Q HA -0.315 4.025 4.340 -0.000 0.000 0.209 465 Q C 2.304 178.251 176.000 -0.089 0.000 0.996 465 Q CA 2.236 58.011 55.803 -0.047 0.000 0.859 465 Q CB -0.895 27.884 28.738 0.069 0.000 0.920 465 Q HN 0.787 nan 8.270 nan 0.000 0.415 466 E N 0.392 120.587 120.200 -0.008 0.000 2.130 466 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 466 E C 1.883 178.446 176.600 -0.062 0.000 0.998 466 E CA 1.026 57.413 56.400 -0.022 0.000 0.806 466 E CB 0.076 29.777 29.700 0.001 0.000 0.738 466 E HN 0.258 nan 8.360 nan 0.000 0.459 467 R N -0.155 120.293 120.500 -0.087 0.000 2.189 467 R HA 0.005 4.345 4.340 -0.000 0.000 0.218 467 R C 2.447 178.666 176.300 -0.136 0.000 1.074 467 R CA 0.367 56.414 56.100 -0.089 0.000 0.991 467 R CB -0.160 30.111 30.300 -0.047 0.000 0.883 467 R HN 0.074 nan 8.270 nan 0.000 0.457 468 R N 1.080 121.435 120.500 -0.241 0.000 2.115 468 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 468 R C 1.541 177.777 176.300 -0.107 0.000 1.100 468 R CA 1.030 56.991 56.100 -0.231 0.000 0.980 468 R CB 0.010 30.111 30.300 -0.332 0.000 0.875 468 R HN 0.234 nan 8.270 nan 0.000 0.445 469 L N 0.677 121.850 121.223 -0.083 0.000 2.741 469 L HA 0.118 4.458 4.340 -0.000 0.000 0.237 469 L C 1.674 178.523 176.870 -0.034 0.000 1.178 469 L CA -0.137 54.674 54.840 -0.047 0.000 0.973 469 L CB 0.109 42.146 42.059 -0.038 0.000 1.255 469 L HN -0.164 nan 8.230 nan 0.000 0.498 470 K N 0.992 121.370 120.400 -0.037 0.000 2.148 470 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 470 K C 0.847 177.438 176.600 -0.016 0.000 1.050 470 K CA 0.994 57.266 56.287 -0.025 0.000 0.942 470 K CB -0.002 32.483 32.500 -0.025 0.000 0.724 470 K HN 0.441 nan 8.250 nan 0.000 0.446 471 D N 0.493 120.885 120.400 -0.014 0.000 2.894 471 D HA 0.015 4.655 4.640 -0.000 0.000 0.248 471 D C 1.335 177.633 176.300 -0.005 0.000 1.291 471 D CA -0.152 53.844 54.000 -0.006 0.000 0.840 471 D CB -0.146 40.654 40.800 0.000 0.000 1.044 471 D HN 0.021 nan 8.370 nan 0.000 0.484 472 L N 0.745 121.963 121.223 -0.008 0.000 1.976 472 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 472 L C 1.759 178.628 176.870 -0.001 0.000 1.071 472 L CA 1.797 56.634 54.840 -0.006 0.000 0.746 472 L CB -0.565 41.489 42.059 -0.008 0.000 0.890 472 L HN 0.511 nan 8.230 nan 0.000 0.432 473 G N -1.230 107.570 108.800 -0.000 0.000 2.142 473 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 473 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 473 G C 0.697 175.600 174.900 0.004 0.000 1.015 473 G CA 0.318 45.419 45.100 0.003 0.000 0.716 473 G HN 0.264 nan 8.290 nan 0.000 0.508 474 L N -0.987 120.236 121.223 0.001 0.000 2.013 474 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 474 L C 1.999 178.871 176.870 0.003 0.000 1.073 474 L CA 1.644 56.485 54.840 0.001 0.000 0.753 474 L CB -0.606 41.452 42.059 -0.001 0.000 0.890 474 L HN 0.463 nan 8.230 nan 0.000 0.432 475 C N 1.301 120.603 119.300 0.003 0.000 2.484 475 C HA 0.432 4.892 4.460 -0.000 0.000 0.494 475 C C 1.433 176.427 174.990 0.006 0.000 1.052 475 C CA -0.673 58.347 59.018 0.004 0.000 1.307 475 C CB -1.596 26.145 27.740 0.002 0.000 1.464 475 C HN 0.495 nan 8.230 nan 0.000 0.564 476 G N 1.584 110.389 108.800 0.009 0.000 3.434 476 G HA2 0.440 4.400 3.960 -0.000 0.000 0.192 476 G HA3 0.440 4.400 3.960 -0.000 0.000 0.192 476 G C -0.044 174.864 174.900 0.013 0.000 1.704 476 G CA -0.152 44.955 45.100 0.012 0.000 0.936 476 G HN 0.630 nan 8.290 nan 0.000 0.623 477 E N -0.310 119.901 120.200 0.018 0.000 2.303 477 E HA 0.326 4.676 4.350 -0.000 0.000 0.254 477 E C -0.920 175.692 176.600 0.020 0.000 0.979 477 E CA -0.983 55.428 56.400 0.019 0.000 0.843 477 E CB 1.118 30.832 29.700 0.024 0.000 1.245 477 E HN 0.166 nan 8.360 nan 0.000 0.413 478 N N 0.415 119.126 118.700 0.018 0.000 2.605 478 N HA 0.054 4.794 4.740 -0.000 0.000 0.258 478 N C 0.827 176.354 175.510 0.027 0.000 1.156 478 N CA 0.222 53.283 53.050 0.018 0.000 1.008 478 N CB 0.528 39.022 38.487 0.012 0.000 1.354 478 N HN 0.751 nan 8.380 nan 0.000 0.509 479 G N 2.200 111.021 108.800 0.034 0.000 2.532 479 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 479 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 479 G C 1.137 176.069 174.900 0.053 0.000 1.102 479 G CA 0.563 45.693 45.100 0.050 0.000 0.742 479 G HN 0.455 nan 8.290 nan 0.000 0.577 480 D N 0.738 121.159 120.400 0.035 0.000 2.098 480 D HA -0.072 4.568 4.640 -0.000 0.000 0.207 480 D C 2.663 178.983 176.300 0.033 0.000 0.979 480 D CA 0.589 54.608 54.000 0.031 0.000 0.878 480 D CB -0.545 40.266 40.800 0.017 0.000 1.028 480 D HN 0.276 nan 8.370 nan 0.000 0.452 481 I N 0.789 121.369 120.570 0.018 0.000 2.290 481 I HA -0.275 3.895 4.170 -0.000 0.000 0.253 481 I C 2.538 178.652 176.117 -0.005 0.000 1.112 481 I CA 0.741 62.044 61.300 0.005 0.000 1.377 481 I CB -0.264 37.734 38.000 -0.003 0.000 1.060 481 I HN 0.062 nan 8.210 nan 0.000 0.428 482 L N 0.624 121.853 121.223 0.010 0.000 2.049 482 L HA -0.082 4.258 4.340 -0.000 0.000 0.203 482 L C 1.553 178.444 176.870 0.034 0.000 1.074 482 L CA 1.509 56.345 54.840 -0.008 0.000 0.749 482 L CB -0.050 42.033 42.059 0.040 0.000 0.907 482 L HN 0.130 nan 8.230 nan 0.000 0.439 483 E N 0.016 120.311 120.200 0.158 0.000 2.320 483 E HA 0.006 4.356 4.350 -0.000 0.000 0.234 483 E C -0.096 176.643 176.600 0.231 0.000 1.290 483 E CA -0.069 56.521 56.400 0.316 0.000 1.545 483 E CB -0.224 29.650 29.700 0.290 0.000 1.379 483 E HN 0.504 nan 8.360 nan 0.000 0.437 484 N N 0.195 118.978 118.700 0.138 0.000 2.116 484 N HA 0.141 4.881 4.740 -0.000 0.000 0.230 484 N C 0.743 176.299 175.510 0.076 0.000 1.326 484 N CA 0.102 53.214 53.050 0.103 0.000 0.867 484 N CB 0.661 39.179 38.487 0.052 0.000 1.174 484 N HN 0.133 nan 8.380 nan 0.000 0.506 485 L N -0.291 120.956 121.223 0.040 0.000 2.717 485 L HA 0.234 4.574 4.340 -0.000 0.000 0.239 485 L C 1.124 177.985 176.870 -0.016 0.000 1.086 485 L CA -0.103 54.717 54.840 -0.033 0.000 0.897 485 L CB -0.006 41.970 42.059 -0.138 0.000 1.214 485 L HN 0.095 nan 8.230 nan 0.000 0.508 486 Y N 0.646 120.984 120.300 0.063 0.000 2.113 486 Y HA -0.066 4.484 4.550 -0.000 0.000 0.269 486 Y C 1.333 177.184 175.900 -0.081 0.000 1.098 486 Y CA 0.793 58.866 58.100 -0.045 0.000 1.083 486 Y CB -0.693 37.716 38.460 -0.085 0.000 0.997 486 Y HN -0.176 nan 8.280 nan 0.000 0.476 487 F N 0.000 120.071 119.950 0.202 0.000 2.286 487 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 487 F CA 0.000 58.059 58.000 0.099 0.000 1.383 487 F CB 0.000 39.040 39.000 0.067 0.000 1.145 487 F HN 0.000 nan 8.300 nan 0.000 0.574