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 1ph9_1_A DATA FIRST_RESID 36 DATA SEQUENCE YEYVELAKAS LTSAQPQHFY AVVIDATFPY KTNQERYICS LKIVDPTLYL DATA SEQUENCE KQQKGAGDAS DYATLVLYAK RFEDLPIIHR AGDIIRVHRA TLRLYNGQRQ DATA SEQUENCE FNANVFYSSS WALFSTDKRS VTQEINNQDA VSDTTPFSFS SKHATIEKNE DATA SEQUENCE ISILQNLRKW ANQYFSSYSV ISSDMYTALN KAQAQKGDFD VVAKILQVHE DATA SEQUENCE LDEYTNELKL KDASGQVFYT LSLKLKFPHV RTGEVVRIRS ATYDETSTQK DATA SEQUENCE KVLILSHYSN IITFIQSSKL AKELRAKIQD DHSVEVASLK KNVSLNAVVL DATA SEQUENCE TEVDKKHAAL PSTSLQDLFH HADSDKELQA QDTFRTQFYV TKIEPSDVKE DATA SEQUENCE WVKGYDRKTK KSSSLKGASG KGDNIFQVQF LVKDASTQLN NNTYRVLLYT DATA SEQUENCE QDGLGANFFN VKADNLHKNA DARKKLEDSA ELLTKFNSYV DAVVERRNGF DATA SEQUENCE YLIKDTKLIY 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 36 Y HA 0.000 nan 4.550 nan 0.000 0.201 36 Y C 0.000 175.667 175.900 -0.388 0.000 1.272 36 Y CA 0.000 57.824 58.100 -0.460 0.000 1.940 36 Y CB 0.000 37.980 38.460 -0.801 0.000 1.050 37 E N 2.063 122.177 120.200 -0.144 0.000 2.133 37 E HA 0.476 4.830 4.350 0.006 0.000 0.274 37 E C -1.805 174.751 176.600 -0.075 0.000 0.930 37 E CA -0.663 55.702 56.400 -0.058 0.000 0.770 37 E CB 0.712 30.423 29.700 0.018 0.000 1.104 37 E HN 0.386 nan 8.360 nan 0.000 0.403 38 Y N 2.080 122.526 120.300 0.243 0.000 2.326 38 Y HA 0.446 4.998 4.550 0.005 0.000 0.337 38 Y C 0.172 176.189 175.900 0.196 0.000 1.023 38 Y CA -0.771 57.492 58.100 0.271 0.000 1.143 38 Y CB 1.305 39.941 38.460 0.294 0.000 1.183 38 Y HN 0.252 nan 8.280 nan 0.000 0.485 39 V N 3.822 123.938 119.914 0.338 0.000 2.769 39 V HA 0.396 4.520 4.120 0.006 0.000 0.312 39 V C -0.465 175.754 176.094 0.209 0.000 1.058 39 V CA -0.842 61.592 62.300 0.224 0.000 0.952 39 V CB 1.801 33.733 31.823 0.181 0.000 1.019 39 V HN 0.835 nan 8.190 nan 0.000 0.445 40 E N 3.944 124.215 120.200 0.117 0.000 2.331 40 E HA 0.237 4.591 4.350 0.006 0.000 0.272 40 E C 0.931 177.553 176.600 0.037 0.000 1.036 40 E CA -0.266 56.165 56.400 0.050 0.000 0.864 40 E CB 1.314 31.017 29.700 0.005 0.000 1.035 40 E HN 0.616 nan 8.360 nan 0.000 0.408 41 L N 1.731 122.928 121.223 -0.044 0.000 2.034 41 L HA -0.322 4.022 4.340 0.006 0.000 0.217 41 L C 2.180 179.113 176.870 0.105 0.000 1.077 41 L CA 1.768 56.599 54.840 -0.014 0.000 0.769 41 L CB -0.579 41.422 42.059 -0.096 0.000 0.890 41 L HN 0.651 nan 8.230 nan 0.000 0.435 42 A N -0.604 122.240 122.820 0.041 0.000 2.119 42 A HA -0.098 4.226 4.320 0.006 0.000 0.216 42 A C 2.071 179.675 177.584 0.033 0.000 1.152 42 A CA 1.009 53.065 52.037 0.031 0.000 0.708 42 A CB -0.159 18.845 19.000 0.007 0.000 0.805 42 A HN 0.375 nan 8.150 nan 0.000 0.460 43 K N -0.187 120.241 120.400 0.047 0.000 2.358 43 K HA 0.374 4.698 4.320 0.006 0.000 0.197 43 K C 0.547 177.186 176.600 0.065 0.000 1.025 43 K CA 0.217 56.531 56.287 0.045 0.000 1.104 43 K CB 0.392 32.917 32.500 0.041 0.000 0.855 43 K HN 0.392 nan 8.250 nan 0.000 0.531 44 A N 1.502 124.384 122.820 0.104 0.000 2.425 44 A HA 0.103 4.427 4.320 0.006 0.000 0.242 44 A C 0.228 177.841 177.584 0.048 0.000 1.077 44 A CA -0.032 52.083 52.037 0.130 0.000 0.781 44 A CB 0.526 19.694 19.000 0.280 0.000 1.020 44 A HN 0.145 nan 8.150 nan 0.000 0.494 45 S N 0.610 116.332 115.700 0.036 0.000 2.545 45 S HA 0.371 4.845 4.470 0.006 0.000 0.275 45 S C 0.752 175.332 174.600 -0.034 0.000 1.299 45 S CA -0.552 57.648 58.200 0.001 0.000 1.048 45 S CB 0.002 63.205 63.200 0.006 0.000 0.938 45 S HN 0.545 nan 8.310 nan 0.000 0.496 46 L N 3.808 125.005 121.223 -0.044 0.000 2.554 46 L HA 0.118 4.462 4.340 0.006 0.000 0.225 46 L C 2.271 179.116 176.870 -0.042 0.000 1.104 46 L CA 0.670 55.471 54.840 -0.064 0.000 0.866 46 L CB -0.148 41.873 42.059 -0.064 0.000 1.047 46 L HN 0.863 nan 8.230 nan 0.000 0.468 47 T N -4.991 109.546 114.554 -0.027 0.000 3.034 47 T HA -0.046 4.308 4.350 0.006 0.000 0.248 47 T C 2.070 176.761 174.700 -0.014 0.000 1.040 47 T CA 0.620 62.709 62.100 -0.019 0.000 1.107 47 T CB -0.094 68.765 68.868 -0.015 0.000 0.932 47 T HN 0.247 nan 8.240 nan 0.000 0.474 48 S N 2.916 118.609 115.700 -0.012 0.000 2.374 48 S HA -0.016 4.458 4.470 0.006 0.000 0.227 48 S C 2.187 176.783 174.600 -0.007 0.000 1.037 48 S CA 1.580 59.775 58.200 -0.008 0.000 1.024 48 S CB -1.288 61.909 63.200 -0.005 0.000 0.861 48 S HN 1.732 nan 8.310 nan 0.000 0.456 49 A N -1.195 121.620 122.820 -0.009 0.000 2.945 49 A HA -0.213 4.111 4.320 0.006 0.000 0.263 49 A C 0.396 177.983 177.584 0.005 0.000 1.293 49 A CA 1.423 53.457 52.037 -0.005 0.000 0.944 49 A CB -2.251 16.746 19.000 -0.006 0.000 1.093 49 A HN 0.645 nan 8.150 nan 0.000 0.786 50 Q N -0.627 119.174 119.800 0.002 0.000 2.227 50 Q HA 0.563 4.907 4.340 0.006 0.000 0.245 50 Q C -2.498 173.501 176.000 -0.002 0.000 0.926 50 Q CA -1.862 53.941 55.803 -0.000 0.000 0.895 50 Q CB 0.308 29.039 28.738 -0.012 0.000 1.230 50 Q HN 0.349 nan 8.270 nan 0.000 0.450 51 P HA -0.015 nan 4.420 nan 0.000 0.262 51 P C -1.101 176.079 177.300 -0.199 0.000 1.199 51 P CA 0.353 63.437 63.100 -0.027 0.000 0.763 51 P CB 0.501 32.215 31.700 0.022 0.000 0.790 52 Q N 2.163 121.859 119.800 -0.174 0.000 2.399 52 Q HA 0.477 4.821 4.340 0.006 0.000 0.276 52 Q C -0.417 175.398 176.000 -0.308 0.000 1.098 52 Q CA -0.864 54.763 55.803 -0.294 0.000 0.827 52 Q CB 2.110 30.894 28.738 0.078 0.000 1.386 52 Q HN 0.568 nan 8.270 nan 0.000 0.443 53 H N 0.713 119.914 119.070 0.218 0.000 2.747 53 H HA 0.670 5.230 4.556 0.006 0.000 0.371 53 H C -0.860 174.690 175.328 0.369 0.000 1.161 53 H CA -0.604 55.555 56.048 0.184 0.000 1.167 53 H CB 1.414 31.214 29.762 0.063 0.000 1.732 53 H HN 0.642 nan 8.280 nan 0.000 0.544 54 F N -0.786 119.422 119.950 0.430 0.000 2.773 54 F HA 0.571 5.102 4.527 0.007 0.000 0.314 54 F C -2.262 173.633 175.800 0.160 0.000 1.160 54 F CA -1.255 56.938 58.000 0.322 0.000 0.920 54 F CB 1.238 40.243 39.000 0.010 0.000 1.323 54 F HN 0.259 nan 8.300 nan 0.000 0.457 55 Y N 1.064 121.512 120.300 0.247 0.000 2.409 55 Y HA 0.847 5.401 4.550 0.006 0.000 0.343 55 Y C 0.005 176.002 175.900 0.163 0.000 0.973 55 Y CA -0.415 57.716 58.100 0.052 0.000 1.064 55 Y CB 2.030 40.402 38.460 -0.146 0.000 1.207 55 Y HN 1.083 nan 8.280 nan 0.000 0.452 56 A N 1.675 124.664 122.820 0.283 0.000 2.602 56 A HA 0.815 5.139 4.320 0.006 0.000 0.290 56 A C -1.999 175.709 177.584 0.206 0.000 1.114 56 A CA -0.745 51.412 52.037 0.201 0.000 0.683 56 A CB 1.001 20.113 19.000 0.187 0.000 1.281 56 A HN 0.383 nan 8.150 nan 0.000 0.416 57 V N 0.811 120.860 119.914 0.226 0.000 2.427 57 V HA 0.430 4.554 4.120 0.006 0.000 0.286 57 V C -0.204 176.057 176.094 0.279 0.000 1.034 57 V CA -0.560 61.927 62.300 0.313 0.000 0.893 57 V CB 1.444 33.575 31.823 0.515 0.000 0.982 57 V HN 0.621 nan 8.190 nan 0.000 0.452 58 V N 6.660 126.711 119.914 0.228 0.000 2.408 58 V HA 0.220 4.344 4.120 0.006 0.000 0.267 58 V C 0.998 177.219 176.094 0.211 0.000 1.047 58 V CA 0.137 62.535 62.300 0.164 0.000 0.937 58 V CB 0.981 32.853 31.823 0.082 0.000 0.999 58 V HN 0.894 nan 8.190 nan 0.000 0.472 59 I N 0.512 121.202 120.570 0.201 0.000 3.941 59 I HA 0.531 4.704 4.170 0.006 0.000 0.321 59 I C 0.360 176.521 176.117 0.074 0.000 1.284 59 I CA 0.378 61.814 61.300 0.227 0.000 1.226 59 I CB 0.621 38.762 38.000 0.236 0.000 1.045 59 I HN 0.598 nan 8.210 nan 0.000 0.420 60 D N 0.769 121.176 120.400 0.011 0.000 2.663 60 D HA 0.754 5.398 4.640 0.006 0.000 0.233 60 D C -1.535 174.747 176.300 -0.030 0.000 1.240 60 D CA -0.092 53.890 54.000 -0.030 0.000 0.774 60 D CB 2.340 43.099 40.800 -0.068 0.000 1.443 60 D HN 0.375 nan 8.370 nan 0.000 0.441 61 A N 0.905 123.715 122.820 -0.017 0.000 2.594 61 A HA 0.668 4.992 4.320 0.006 0.000 0.296 61 A C -0.201 177.406 177.584 0.037 0.000 1.056 61 A CA -0.277 51.752 52.037 -0.014 0.000 0.693 61 A CB 0.933 19.899 19.000 -0.057 0.000 1.278 61 A HN 0.676 nan 8.150 nan 0.000 0.408 62 T N -1.078 113.513 114.554 0.063 0.000 2.810 62 T HA 0.673 5.027 4.350 0.006 0.000 0.277 62 T C 0.017 174.840 174.700 0.205 0.000 0.973 62 T CA -0.285 61.909 62.100 0.156 0.000 0.949 62 T CB 0.463 69.433 68.868 0.170 0.000 1.075 62 T HN 0.895 nan 8.240 nan 0.000 0.537 63 F N 1.629 121.687 119.950 0.179 0.000 2.371 63 F HA 0.491 5.022 4.527 0.007 0.000 0.329 63 F C -2.291 173.662 175.800 0.256 0.000 1.107 63 F CA -2.520 55.594 58.000 0.191 0.000 1.137 63 F CB 1.017 40.162 39.000 0.242 0.000 1.214 63 F HN 0.368 nan 8.300 nan 0.000 0.536 64 P HA 0.058 nan 4.420 nan 0.000 0.265 64 P C -1.778 175.838 177.300 0.528 0.000 1.222 64 P CA 0.584 63.703 63.100 0.032 0.000 0.767 64 P CB -0.199 31.263 31.700 -0.397 0.000 0.801 65 Y N 1.146 121.637 120.300 0.317 0.000 2.524 65 Y HA 0.633 5.187 4.550 0.006 0.000 0.344 65 Y C -0.178 175.913 175.900 0.317 0.000 1.012 65 Y CA -1.961 56.339 58.100 0.333 0.000 1.068 65 Y CB 1.439 39.925 38.460 0.043 0.000 1.249 65 Y HN 0.055 nan 8.280 nan 0.000 0.468 66 K N 0.956 121.538 120.400 0.303 0.000 2.201 66 K HA 0.276 4.600 4.320 0.006 0.000 0.278 66 K C 0.436 177.069 176.600 0.055 0.000 1.027 66 K CA 0.293 56.482 56.287 -0.163 0.000 0.909 66 K CB 1.142 33.444 32.500 -0.331 0.000 1.062 66 K HN 1.036 nan 8.250 nan 0.000 0.465 67 T N -0.094 114.405 114.554 -0.092 0.000 3.033 67 T HA 0.027 4.381 4.350 0.006 0.000 0.248 67 T C 0.607 175.311 174.700 0.008 0.000 1.040 67 T CA 0.476 62.606 62.100 0.050 0.000 1.133 67 T CB -0.183 68.700 68.868 0.025 0.000 0.895 67 T HN 0.743 nan 8.240 nan 0.000 0.465 68 N N 0.160 118.812 118.700 -0.081 0.000 3.600 68 N HA 0.253 4.997 4.740 0.006 0.000 0.348 68 N C 0.457 175.902 175.510 -0.108 0.000 1.649 68 N CA -0.864 52.147 53.050 -0.066 0.000 0.710 68 N CB 0.339 38.798 38.487 -0.047 0.000 2.380 68 N HN -0.026 nan 8.380 nan 0.000 0.631 69 Q N -0.752 119.003 119.800 -0.074 0.000 2.451 69 Q HA 0.058 4.402 4.340 0.006 0.000 0.206 69 Q C -0.300 175.662 176.000 -0.064 0.000 0.947 69 Q CA 0.917 56.683 55.803 -0.062 0.000 0.937 69 Q CB -0.017 28.701 28.738 -0.034 0.000 1.025 69 Q HN 0.781 nan 8.270 nan 0.000 0.511 70 E N -1.730 118.414 120.200 -0.093 0.000 2.794 70 E HA 0.236 4.589 4.350 0.006 0.000 0.203 70 E C -0.230 176.320 176.600 -0.083 0.000 0.953 70 E CA -0.262 56.099 56.400 -0.064 0.000 1.284 70 E CB 0.667 30.331 29.700 -0.060 0.000 1.077 70 E HN -0.162 nan 8.360 nan 0.000 0.508 71 R N 0.473 120.871 120.500 -0.171 0.000 2.673 71 R HA 0.528 4.872 4.340 0.006 0.000 0.281 71 R C -2.109 174.031 176.300 -0.266 0.000 0.991 71 R CA -0.587 55.444 56.100 -0.115 0.000 0.896 71 R CB 1.162 31.422 30.300 -0.067 0.000 1.201 71 R HN 0.059 nan 8.270 nan 0.000 0.457 72 Y N 2.881 123.183 120.300 0.002 0.000 2.446 72 Y HA 0.646 5.200 4.550 0.006 0.000 0.345 72 Y C -0.022 175.767 175.900 -0.185 0.000 0.984 72 Y CA -0.710 57.347 58.100 -0.071 0.000 1.058 72 Y CB 1.839 40.316 38.460 0.029 0.000 1.220 72 Y HN 0.327 nan 8.280 nan 0.000 0.455 73 I N 1.816 122.179 120.570 -0.345 0.000 2.828 73 I HA 0.519 4.693 4.170 0.006 0.000 0.302 73 I C -1.312 174.553 176.117 -0.419 0.000 1.101 73 I CA -0.866 60.139 61.300 -0.491 0.000 1.031 73 I CB 2.366 39.982 38.000 -0.640 0.000 1.231 73 I HN 0.621 nan 8.210 nan 0.000 0.427 74 C N 3.716 122.848 119.300 -0.279 0.000 2.679 74 C HA 0.557 5.021 4.460 0.006 0.000 0.354 74 C C -0.244 174.667 174.990 -0.131 0.000 1.067 74 C CA -0.370 58.559 59.018 -0.147 0.000 1.317 74 C CB 0.385 27.974 27.740 -0.252 0.000 1.843 74 C HN 0.805 nan 8.230 nan 0.000 0.459 75 S N 6.485 122.174 115.700 -0.019 0.000 2.457 75 S HA 0.841 5.315 4.470 0.006 0.000 0.289 75 S C -0.519 174.072 174.600 -0.014 0.000 1.163 75 S CA -0.466 57.720 58.200 -0.022 0.000 1.078 75 S CB 0.331 63.545 63.200 0.023 0.000 0.987 75 S HN 0.922 nan 8.310 nan 0.000 0.482 76 L N 1.892 123.105 121.223 -0.018 0.000 2.376 76 L HA 0.741 5.085 4.340 0.006 0.000 0.258 76 L C -0.997 175.877 176.870 0.007 0.000 1.013 76 L CA -1.300 53.528 54.840 -0.019 0.000 0.822 76 L CB 1.796 43.826 42.059 -0.048 0.000 1.388 76 L HN 0.396 nan 8.230 nan 0.000 0.413 77 K N 2.631 123.010 120.400 -0.036 0.000 2.182 77 K HA 0.738 5.062 4.320 0.006 0.000 0.262 77 K C -0.909 175.709 176.600 0.030 0.000 0.957 77 K CA -0.500 55.743 56.287 -0.073 0.000 0.842 77 K CB 2.343 34.587 32.500 -0.427 0.000 1.099 77 K HN 0.682 nan 8.250 nan 0.000 0.438 78 I N -0.628 120.012 120.570 0.117 0.000 2.785 78 I HA 0.704 4.878 4.170 0.006 0.000 0.302 78 I C -0.423 175.803 176.117 0.182 0.000 1.069 78 I CA -1.241 60.142 61.300 0.140 0.000 1.045 78 I CB 1.914 39.966 38.000 0.086 0.000 1.236 78 I HN 0.380 nan 8.210 nan 0.000 0.429 79 V N 0.662 120.690 119.914 0.189 0.000 3.160 79 V HA 0.879 5.003 4.120 0.006 0.000 0.310 79 V C -1.603 174.502 176.094 0.018 0.000 1.181 79 V CA -0.292 62.114 62.300 0.176 0.000 1.047 79 V CB 2.032 34.042 31.823 0.312 0.000 1.068 79 V HN 1.134 nan 8.190 nan 0.000 0.441 80 D N -0.307 119.986 120.400 -0.179 0.000 2.692 80 D HA 0.464 5.108 4.640 0.006 0.000 0.290 80 D C -2.757 173.006 176.300 -0.895 0.000 1.281 80 D CA -1.268 52.347 54.000 -0.641 0.000 0.804 80 D CB 1.085 41.679 40.800 -0.343 0.000 1.331 80 D HN 0.282 nan 8.370 nan 0.000 0.432 81 P HA -0.127 nan 4.420 nan 0.000 0.218 81 P C 1.209 178.432 177.300 -0.128 0.000 1.146 81 P CA 2.897 65.471 63.100 -0.877 0.000 0.820 81 P CB 0.021 31.259 31.700 -0.770 0.000 0.778 82 T N -5.027 109.464 114.554 -0.105 0.000 3.060 82 T HA 0.216 4.570 4.350 0.006 0.000 0.249 82 T C 0.275 175.004 174.700 0.049 0.000 1.079 82 T CA -0.077 62.033 62.100 0.016 0.000 1.013 82 T CB -0.261 68.594 68.868 -0.022 0.000 0.975 82 T HN -0.085 nan 8.240 nan 0.000 0.518 83 L N 1.476 122.755 121.223 0.094 0.000 2.676 83 L HA 0.491 4.834 4.340 0.006 0.000 0.262 83 L C -0.795 176.178 176.870 0.172 0.000 0.965 83 L CA -0.891 53.981 54.840 0.053 0.000 0.920 83 L CB 1.277 43.352 42.059 0.027 0.000 1.260 83 L HN 0.326 nan 8.230 nan 0.000 0.422 84 Y N 3.963 124.257 120.300 -0.009 0.000 2.690 84 Y HA 0.617 5.169 4.550 0.004 0.000 0.306 84 Y C -1.253 174.671 175.900 0.039 0.000 0.927 84 Y CA -0.724 57.381 58.100 0.008 0.000 1.039 84 Y CB 0.237 38.599 38.460 -0.163 0.000 1.437 84 Y HN 0.324 nan 8.280 nan 0.000 0.585 85 L N 2.317 123.167 121.223 -0.622 0.000 2.482 85 L HA 0.551 4.895 4.340 0.006 0.000 0.263 85 L C -1.018 175.662 176.870 -0.316 0.000 0.957 85 L CA -1.110 53.482 54.840 -0.414 0.000 0.836 85 L CB 2.236 43.953 42.059 -0.571 0.000 1.324 85 L HN 0.108 nan 8.230 nan 0.000 0.406 86 K N 2.557 122.858 120.400 -0.165 0.000 2.219 86 K HA 0.263 4.587 4.320 0.006 0.000 0.258 86 K C -0.444 176.091 176.600 -0.109 0.000 1.008 86 K CA -0.494 55.717 56.287 -0.127 0.000 0.928 86 K CB 0.343 32.793 32.500 -0.083 0.000 0.983 86 K HN 0.570 nan 8.250 nan 0.000 0.484 87 Q N 2.814 122.562 119.800 -0.087 0.000 2.608 87 Q HA -0.166 4.178 4.340 0.006 0.000 0.301 87 Q C -0.395 175.583 176.000 -0.036 0.000 1.257 87 Q CA 0.506 56.273 55.803 -0.059 0.000 1.044 87 Q CB -0.483 28.227 28.738 -0.046 0.000 1.232 87 Q HN 0.344 nan 8.270 nan 0.000 0.448 88 Q N 1.691 121.475 119.800 -0.026 0.000 2.286 88 Q HA 0.141 4.485 4.340 0.006 0.000 0.265 88 Q C 0.022 176.029 176.000 0.012 0.000 1.080 88 Q CA 0.059 55.865 55.803 0.005 0.000 0.906 88 Q CB 0.945 29.704 28.738 0.036 0.000 1.227 88 Q HN 0.435 nan 8.270 nan 0.000 0.409 89 K N 2.334 122.740 120.400 0.010 0.000 2.163 89 K HA 0.099 4.423 4.320 0.006 0.000 0.139 89 K C 0.641 177.244 176.600 0.006 0.000 2.374 89 K CA 0.955 57.248 56.287 0.009 0.000 1.245 89 K CB -0.347 32.155 32.500 0.004 0.000 2.645 89 K HN 0.588 nan 8.250 nan 0.000 0.442 90 G N -0.167 108.633 108.800 0.000 0.000 3.581 90 G HA2 0.407 4.371 3.960 0.006 0.000 0.248 90 G HA3 0.407 4.371 3.960 0.006 0.000 0.248 90 G C 1.031 175.928 174.900 -0.004 0.000 1.037 90 G CA 0.444 45.543 45.100 -0.002 0.000 0.902 90 G HN 0.324 nan 8.290 nan 0.000 0.512 91 A N 0.321 123.138 122.820 -0.004 0.000 1.968 91 A HA 0.433 4.757 4.320 0.006 0.000 0.217 91 A C 2.072 179.659 177.584 0.004 0.000 1.169 91 A CA 1.740 53.773 52.037 -0.007 0.000 0.638 91 A CB -0.507 18.484 19.000 -0.016 0.000 0.812 91 A HN 1.661 nan 8.150 nan 0.000 0.446 92 G N -1.095 107.713 108.800 0.014 0.000 2.165 92 G HA2 -0.166 3.797 3.960 0.006 0.000 0.226 92 G HA3 -0.166 3.797 3.960 0.006 0.000 0.226 92 G C 0.103 175.027 174.900 0.040 0.000 1.035 92 G CA 0.904 46.017 45.100 0.022 0.000 0.744 92 G HN 1.127 nan 8.290 nan 0.000 0.501 93 D N -2.016 118.416 120.400 0.053 0.000 2.772 93 D HA -0.006 4.638 4.640 0.006 0.000 0.233 93 D C 0.846 177.192 176.300 0.076 0.000 1.143 93 D CA 1.670 55.724 54.000 0.089 0.000 0.700 93 D CB -1.050 39.830 40.800 0.133 0.000 1.076 93 D HN 1.799 nan 8.370 nan 0.000 0.430 94 A N 0.334 123.182 122.820 0.045 0.000 2.366 94 A HA 0.575 4.899 4.320 0.006 0.000 0.272 94 A C 0.650 178.269 177.584 0.058 0.000 1.135 94 A CA -0.165 51.906 52.037 0.057 0.000 0.804 94 A CB 0.961 19.983 19.000 0.037 0.000 1.064 94 A HN 0.268 nan 8.150 nan 0.000 0.499 95 S N 1.747 117.521 115.700 0.123 0.000 2.533 95 S HA 0.198 4.672 4.470 0.006 0.000 0.282 95 S C -0.069 174.639 174.600 0.180 0.000 1.304 95 S CA -0.141 58.167 58.200 0.180 0.000 1.063 95 S CB 0.451 63.817 63.200 0.277 0.000 0.881 95 S HN 0.780 nan 8.310 nan 0.000 0.493 96 D N 1.266 121.715 120.400 0.082 0.000 2.217 96 D HA 0.612 5.256 4.640 0.006 0.000 0.248 96 D C -0.825 175.535 176.300 0.101 0.000 1.008 96 D CA -0.258 53.708 54.000 -0.058 0.000 0.914 96 D CB 0.767 41.486 40.800 -0.136 0.000 1.182 96 D HN 0.521 nan 8.370 nan 0.000 0.451 97 Y N -0.976 119.360 120.300 0.059 0.000 2.741 97 Y HA 0.669 5.224 4.550 0.007 0.000 0.339 97 Y C -1.546 174.405 175.900 0.084 0.000 1.226 97 Y CA -1.494 56.658 58.100 0.086 0.000 1.072 97 Y CB 0.295 38.827 38.460 0.119 0.000 1.331 97 Y HN 0.370 nan 8.280 nan 0.000 0.453 98 A N 0.798 123.831 122.820 0.355 0.000 2.299 98 A HA 0.882 5.206 4.320 0.006 0.000 0.332 98 A C -0.317 177.501 177.584 0.391 0.000 1.131 98 A CA -0.237 51.985 52.037 0.309 0.000 0.844 98 A CB 0.799 19.987 19.000 0.314 0.000 1.251 98 A HN 1.240 nan 8.150 nan 0.000 0.486 99 T N -1.176 113.581 114.554 0.339 0.000 2.885 99 T HA 0.608 4.962 4.350 0.006 0.000 0.285 99 T C -0.877 173.982 174.700 0.265 0.000 1.019 99 T CA -0.552 61.713 62.100 0.276 0.000 1.010 99 T CB 1.195 70.213 68.868 0.249 0.000 1.022 99 T HN 0.960 nan 8.240 nan 0.000 0.466 100 L N 2.942 124.278 121.223 0.189 0.000 2.356 100 L HA 0.747 5.091 4.340 0.006 0.000 0.277 100 L C -1.310 175.607 176.870 0.079 0.000 0.996 100 L CA -0.713 54.244 54.840 0.194 0.000 0.822 100 L CB 1.791 43.962 42.059 0.187 0.000 1.256 100 L HN 0.674 nan 8.230 nan 0.000 0.413 101 V N 6.598 126.553 119.914 0.068 0.000 2.376 101 V HA 0.437 4.560 4.120 0.006 0.000 0.287 101 V C -0.121 175.884 176.094 -0.149 0.000 1.015 101 V CA -0.525 61.713 62.300 -0.104 0.000 0.834 101 V CB 1.294 33.047 31.823 -0.116 0.000 1.001 101 V HN 0.604 nan 8.190 nan 0.000 0.428 102 L N 5.547 126.629 121.223 -0.234 0.000 2.275 102 L HA 0.583 4.927 4.340 0.006 0.000 0.288 102 L C -0.955 175.779 176.870 -0.227 0.000 1.046 102 L CA -0.484 54.281 54.840 -0.125 0.000 0.805 102 L CB 1.033 43.013 42.059 -0.132 0.000 1.193 102 L HN 0.513 nan 8.230 nan 0.000 0.426 103 Y N 1.866 122.243 120.300 0.129 0.000 2.409 103 Y HA 0.775 5.328 4.550 0.006 0.000 0.339 103 Y C 0.295 176.432 175.900 0.394 0.000 1.033 103 Y CA -0.604 57.643 58.100 0.245 0.000 1.094 103 Y CB 2.088 40.776 38.460 0.380 0.000 1.210 103 Y HN 0.640 nan 8.280 nan 0.000 0.456 104 A N 1.772 124.916 122.820 0.540 0.000 2.602 104 A HA 0.601 4.925 4.320 0.006 0.000 0.290 104 A C -0.330 177.481 177.584 0.379 0.000 1.114 104 A CA -0.988 51.345 52.037 0.493 0.000 0.683 104 A CB 1.567 20.731 19.000 0.273 0.000 1.281 104 A HN 0.802 nan 8.150 nan 0.000 0.416 105 K N -0.423 120.158 120.400 0.303 0.000 2.361 105 K HA 0.179 4.503 4.320 0.006 0.000 0.194 105 K C 0.075 176.862 176.600 0.312 0.000 1.032 105 K CA 0.592 57.022 56.287 0.238 0.000 1.048 105 K CB 0.364 32.943 32.500 0.132 0.000 0.842 105 K HN 0.536 nan 8.250 nan 0.000 0.526 106 R N -0.581 120.000 120.500 0.135 0.000 2.744 106 R HA 0.178 4.522 4.340 0.006 0.000 0.279 106 R C 0.025 176.005 176.300 -0.533 0.000 0.977 106 R CA -0.524 55.473 56.100 -0.172 0.000 0.906 106 R CB 0.893 31.163 30.300 -0.051 0.000 1.197 106 R HN -0.097 nan 8.270 nan 0.000 0.463 107 F N 3.164 122.421 119.950 -1.154 0.000 2.095 107 F HA -0.195 4.336 4.527 0.007 0.000 0.298 107 F C 2.058 177.654 175.800 -0.340 0.000 1.104 107 F CA 1.927 59.427 58.000 -0.833 0.000 1.232 107 F CB 0.248 38.897 39.000 -0.586 0.000 0.987 107 F HN 0.586 nan 8.300 nan 0.000 0.475 108 E N -0.556 119.517 120.200 -0.212 0.000 2.463 108 E HA -0.199 4.154 4.350 0.006 0.000 0.201 108 E C 0.788 177.284 176.600 -0.173 0.000 1.045 108 E CA 1.122 57.394 56.400 -0.213 0.000 0.872 108 E CB -0.838 28.823 29.700 -0.065 0.000 0.797 108 E HN 0.509 nan 8.360 nan 0.000 0.538 109 D N 0.556 120.877 120.400 -0.132 0.000 2.339 109 D HA 0.195 4.839 4.640 0.006 0.000 0.217 109 D C 0.272 176.708 176.300 0.227 0.000 1.050 109 D CA 0.128 54.144 54.000 0.026 0.000 0.856 109 D CB 0.482 41.312 40.800 0.050 0.000 0.922 109 D HN 0.182 nan 8.370 nan 0.000 0.518 110 L N 1.602 122.799 121.223 -0.043 0.000 2.342 110 L HA 0.386 4.730 4.340 0.006 0.000 0.271 110 L C -2.301 174.224 176.870 -0.576 0.000 1.008 110 L CA -2.049 52.641 54.840 -0.251 0.000 0.818 110 L CB 2.428 44.266 42.059 -0.368 0.000 1.296 110 L HN -0.273 nan 8.230 nan 0.000 0.427 111 P HA 0.191 nan 4.420 nan 0.000 0.276 111 P C -0.832 176.004 177.300 -0.773 0.000 1.235 111 P CA -0.012 62.327 63.100 -1.270 0.000 0.772 111 P CB 1.051 31.690 31.700 -1.768 0.000 0.871 112 I N 4.809 125.011 120.570 -0.614 0.000 2.306 112 I HA 0.217 4.391 4.170 0.006 0.000 0.288 112 I C 0.532 176.368 176.117 -0.467 0.000 1.036 112 I CA -0.771 60.157 61.300 -0.619 0.000 1.221 112 I CB 0.785 38.413 38.000 -0.620 0.000 1.385 112 I HN 0.114 nan 8.210 nan 0.000 0.472 113 I N 6.868 127.225 120.570 -0.355 0.000 2.281 113 I HA 0.105 4.279 4.170 0.006 0.000 0.293 113 I C 1.073 177.114 176.117 -0.127 0.000 1.085 113 I CA -0.098 61.088 61.300 -0.190 0.000 1.257 113 I CB 0.218 38.145 38.000 -0.121 0.000 1.430 113 I HN 0.582 nan 8.210 nan 0.000 0.489 114 H N 5.052 124.062 119.070 -0.101 0.000 2.497 114 H HA 0.234 4.794 4.556 0.006 0.000 0.282 114 H C 0.780 176.017 175.328 -0.151 0.000 1.003 114 H CA 0.495 56.380 56.048 -0.271 0.000 1.307 114 H CB 0.700 30.109 29.762 -0.588 0.000 1.437 114 H HN 0.467 nan 8.280 nan 0.000 0.544 115 R N 0.274 120.778 120.500 0.006 0.000 2.686 115 R HA 0.579 4.923 4.340 0.006 0.000 0.283 115 R C -1.242 175.013 176.300 -0.075 0.000 0.978 115 R CA -0.673 55.402 56.100 -0.041 0.000 0.897 115 R CB 1.769 32.043 30.300 -0.043 0.000 1.192 115 R HN 0.075 nan 8.270 nan 0.000 0.457 116 A N 1.483 124.202 122.820 -0.168 0.000 2.309 116 A HA 0.594 4.918 4.320 0.006 0.000 0.298 116 A C 0.891 178.396 177.584 -0.132 0.000 1.165 116 A CA 0.427 52.404 52.037 -0.101 0.000 0.821 116 A CB 0.915 19.810 19.000 -0.175 0.000 1.102 116 A HN 1.066 nan 8.150 nan 0.000 0.500 117 G N 1.608 110.386 108.800 -0.037 0.000 2.284 117 G HA2 -0.148 3.815 3.960 0.006 0.000 0.201 117 G HA3 -0.148 3.815 3.960 0.006 0.000 0.201 117 G C -0.000 174.873 174.900 -0.044 0.000 0.998 117 G CA 0.137 45.039 45.100 -0.329 0.000 0.651 117 G HN 0.716 nan 8.290 nan 0.000 0.489 118 D N 0.419 120.845 120.400 0.044 0.000 2.384 118 D HA 0.500 5.144 4.640 0.006 0.000 0.244 118 D C 0.769 177.194 176.300 0.208 0.000 1.251 118 D CA 0.333 54.425 54.000 0.154 0.000 0.961 118 D CB 1.023 41.965 40.800 0.235 0.000 1.116 118 D HN 0.320 nan 8.370 nan 0.000 0.484 119 I N 0.755 121.483 120.570 0.264 0.000 2.562 119 I HA 0.406 4.580 4.170 0.006 0.000 0.301 119 I C -0.035 176.221 176.117 0.232 0.000 1.003 119 I CA -0.771 60.686 61.300 0.263 0.000 1.127 119 I CB 2.048 40.224 38.000 0.293 0.000 1.304 119 I HN 0.117 nan 8.210 nan 0.000 0.446 120 I N 5.225 125.885 120.570 0.150 0.000 2.498 120 I HA 0.438 4.611 4.170 0.006 0.000 0.290 120 I C -0.796 175.243 176.117 -0.130 0.000 1.032 120 I CA -0.641 60.682 61.300 0.039 0.000 1.073 120 I CB 1.558 39.560 38.000 0.003 0.000 1.251 120 I HN 0.604 nan 8.210 nan 0.000 0.426 121 R N 7.105 127.446 120.500 -0.266 0.000 2.295 121 R HA 0.663 5.007 4.340 0.006 0.000 0.324 121 R C -1.907 174.072 176.300 -0.535 0.000 0.968 121 R CA -0.472 55.223 56.100 -0.676 0.000 0.837 121 R CB 1.601 31.365 30.300 -0.893 0.000 1.133 121 R HN 0.518 nan 8.270 nan 0.000 0.450 122 V N 4.171 123.669 119.914 -0.692 0.000 2.581 122 V HA 0.393 4.516 4.120 0.006 0.000 0.303 122 V C -0.438 175.485 176.094 -0.284 0.000 1.041 122 V CA -0.648 61.309 62.300 -0.572 0.000 0.907 122 V CB 1.810 33.077 31.823 -0.927 0.000 0.994 122 V HN 0.837 nan 8.190 nan 0.000 0.442 123 H N 3.304 122.311 119.070 -0.105 0.000 2.538 123 H HA 0.553 5.112 4.556 0.006 0.000 0.353 123 H C -0.370 175.109 175.328 0.251 0.000 1.109 123 H CA -1.084 55.044 56.048 0.133 0.000 1.192 123 H CB 1.217 30.921 29.762 -0.096 0.000 1.555 123 H HN 0.582 nan 8.280 nan 0.000 0.518 124 R N 0.954 121.827 120.500 0.622 0.000 3.079 124 R HA -0.153 4.191 4.340 0.006 0.000 0.254 124 R C -1.262 175.149 176.300 0.186 0.000 0.900 124 R CA 0.376 56.638 56.100 0.270 0.000 0.641 124 R CB -1.284 29.155 30.300 0.232 0.000 1.307 124 R HN 0.548 nan 8.270 nan 0.000 0.477 125 A N 0.938 123.875 122.820 0.195 0.000 2.355 125 A HA 0.634 4.958 4.320 0.006 0.000 0.317 125 A C 0.406 178.152 177.584 0.270 0.000 1.094 125 A CA -0.239 51.969 52.037 0.285 0.000 0.764 125 A CB 1.360 20.641 19.000 0.469 0.000 1.230 125 A HN 0.347 nan 8.150 nan 0.000 0.448 126 T N 0.483 115.160 114.554 0.206 0.000 2.799 126 T HA 0.555 4.909 4.350 0.006 0.000 0.286 126 T C -0.375 174.367 174.700 0.070 0.000 0.973 126 T CA -0.477 61.693 62.100 0.117 0.000 1.035 126 T CB 0.747 69.654 68.868 0.066 0.000 0.932 126 T HN 0.834 nan 8.240 nan 0.000 0.469 127 L N 3.721 124.915 121.223 -0.048 0.000 2.322 127 L HA 0.808 5.151 4.340 0.006 0.000 0.279 127 L C -0.070 176.681 176.870 -0.198 0.000 1.036 127 L CA -0.491 54.165 54.840 -0.306 0.000 0.807 127 L CB 1.189 42.919 42.059 -0.550 0.000 1.226 127 L HN 1.040 nan 8.230 nan 0.000 0.433 128 R N 3.376 123.753 120.500 -0.205 0.000 2.710 128 R HA 0.564 4.908 4.340 0.006 0.000 0.270 128 R C -1.882 174.376 176.300 -0.070 0.000 1.021 128 R CA -1.056 54.985 56.100 -0.098 0.000 0.889 128 R CB 0.822 31.103 30.300 -0.032 0.000 1.243 128 R HN 0.479 nan 8.270 nan 0.000 0.464 129 L N 2.605 123.812 121.223 -0.026 0.000 2.315 129 L HA 0.295 4.639 4.340 0.006 0.000 0.283 129 L C -1.129 175.799 176.870 0.097 0.000 1.089 129 L CA 0.019 54.861 54.840 0.004 0.000 0.833 129 L CB 0.295 42.343 42.059 -0.019 0.000 1.170 129 L HN 0.573 nan 8.230 nan 0.000 0.442 130 Y N 5.271 125.550 120.300 -0.036 0.000 2.388 130 Y HA 0.322 4.875 4.550 0.005 0.000 0.328 130 Y C 0.410 176.307 175.900 -0.005 0.000 0.963 130 Y CA -1.145 56.950 58.100 -0.008 0.000 1.240 130 Y CB 0.365 38.834 38.460 0.015 0.000 1.118 130 Y HN 0.710 nan 8.280 nan 0.000 0.484 131 N N 4.566 123.050 118.700 -0.359 0.000 2.705 131 N HA -0.222 4.522 4.740 0.006 0.000 0.255 131 N C 1.034 176.454 175.510 -0.150 0.000 1.008 131 N CA 1.653 54.520 53.050 -0.305 0.000 0.742 131 N CB -1.066 37.148 38.487 -0.455 0.000 0.906 131 N HN 1.274 nan 8.380 nan 0.000 0.541 132 G N -1.091 107.651 108.800 -0.096 0.000 2.225 132 G HA2 -0.344 3.620 3.960 0.006 0.000 0.254 132 G HA3 -0.344 3.620 3.960 0.006 0.000 0.254 132 G C -0.081 174.783 174.900 -0.059 0.000 0.988 132 G CA 0.904 45.962 45.100 -0.071 0.000 0.625 132 G HN 0.830 nan 8.290 nan 0.000 0.527 133 Q N -0.379 119.401 119.800 -0.035 0.000 2.377 133 Q HA 0.793 5.137 4.340 0.006 0.000 0.271 133 Q C -0.175 175.827 176.000 0.004 0.000 1.077 133 Q CA -1.152 54.636 55.803 -0.026 0.000 0.820 133 Q CB 1.238 29.955 28.738 -0.034 0.000 1.347 133 Q HN 0.313 nan 8.270 nan 0.000 0.444 134 R N 1.703 122.183 120.500 -0.033 0.000 2.404 134 R HA 0.033 4.377 4.340 0.006 0.000 0.315 134 R C -0.506 175.740 176.300 -0.089 0.000 1.032 134 R CA 0.049 56.081 56.100 -0.113 0.000 0.992 134 R CB 0.308 30.525 30.300 -0.137 0.000 0.959 134 R HN 0.585 nan 8.270 nan 0.000 0.428 135 Q N 4.227 123.948 119.800 -0.132 0.000 2.348 135 Q HA 0.237 4.581 4.340 0.006 0.000 0.265 135 Q C -1.292 174.616 176.000 -0.154 0.000 0.998 135 Q CA -0.631 55.153 55.803 -0.031 0.000 0.831 135 Q CB 0.787 29.553 28.738 0.047 0.000 1.251 135 Q HN 0.408 nan 8.270 nan 0.000 0.456 136 F N 2.761 122.746 119.950 0.058 0.000 2.404 136 F HA 0.409 4.938 4.527 0.004 0.000 0.345 136 F C 0.433 176.317 175.800 0.140 0.000 1.110 136 F CA -0.479 57.584 58.000 0.104 0.000 1.130 136 F CB 1.047 40.130 39.000 0.137 0.000 1.129 136 F HN 0.427 nan 8.300 nan 0.000 0.500 137 N N 2.068 120.944 118.700 0.294 0.000 2.284 137 N HA 0.738 5.482 4.740 0.006 0.000 0.300 137 N C -1.334 174.340 175.510 0.274 0.000 1.047 137 N CA -0.655 52.561 53.050 0.277 0.000 0.821 137 N CB 2.247 40.862 38.487 0.213 0.000 1.337 137 N HN 0.627 nan 8.380 nan 0.000 0.482 138 A N 1.849 124.840 122.820 0.285 0.000 2.402 138 A HA 0.401 4.725 4.320 0.006 0.000 0.291 138 A C -1.063 176.634 177.584 0.189 0.000 1.051 138 A CA -0.859 51.304 52.037 0.210 0.000 0.716 138 A CB 0.610 19.730 19.000 0.199 0.000 1.223 138 A HN 0.524 nan 8.150 nan 0.000 0.425 139 N N 2.818 121.523 118.700 0.008 0.000 2.602 139 N HA 0.175 4.919 4.740 0.006 0.000 0.238 139 N C 1.319 176.627 175.510 -0.336 0.000 1.084 139 N CA -0.162 52.685 53.050 -0.339 0.000 0.952 139 N CB 1.406 39.346 38.487 -0.911 0.000 1.244 139 N HN 0.392 nan 8.380 nan 0.000 0.512 140 V N 1.371 121.261 119.914 -0.039 0.000 2.568 140 V HA -0.253 3.870 4.120 0.006 0.000 0.253 140 V C 1.706 177.823 176.094 0.039 0.000 1.072 140 V CA 1.481 63.812 62.300 0.050 0.000 1.084 140 V CB -0.946 30.998 31.823 0.201 0.000 0.676 140 V HN 0.630 nan 8.190 nan 0.000 0.469 141 F N -1.428 118.627 119.950 0.174 0.000 2.699 141 F HA 0.050 4.581 4.527 0.007 0.000 0.298 141 F C 1.787 177.709 175.800 0.203 0.000 1.154 141 F CA 0.739 58.833 58.000 0.157 0.000 1.457 141 F CB -0.744 38.349 39.000 0.155 0.000 1.106 141 F HN 0.209 nan 8.300 nan 0.000 0.585 142 Y N 1.706 121.821 120.300 -0.308 0.000 2.893 142 Y HA 0.254 4.807 4.550 0.006 0.000 0.195 142 Y C 1.995 177.850 175.900 -0.075 0.000 0.964 142 Y CA 0.710 58.717 58.100 -0.154 0.000 1.596 142 Y CB -0.250 38.035 38.460 -0.293 0.000 1.247 142 Y HN -0.020 nan 8.280 nan 0.000 0.464 143 S N -0.891 114.540 115.700 -0.448 0.000 2.847 143 S HA 0.396 4.870 4.470 0.006 0.000 0.254 143 S C -0.096 174.426 174.600 -0.130 0.000 1.039 143 S CA -0.369 57.579 58.200 -0.421 0.000 1.113 143 S CB -0.167 62.652 63.200 -0.636 0.000 1.092 143 S HN 0.144 nan 8.310 nan 0.000 0.620 144 S N 2.576 118.242 115.700 -0.058 0.000 2.632 144 S HA 0.792 5.266 4.470 0.006 0.000 0.271 144 S C -0.024 174.581 174.600 0.008 0.000 1.260 144 S CA -0.301 57.915 58.200 0.028 0.000 1.010 144 S CB 1.363 64.600 63.200 0.062 0.000 0.965 144 S HN 0.790 nan 8.310 nan 0.000 0.534 145 S N 1.352 117.065 115.700 0.022 0.000 2.570 145 S HA 0.787 5.260 4.470 0.006 0.000 0.270 145 S C -1.533 173.007 174.600 -0.100 0.000 1.149 145 S CA -1.123 57.011 58.200 -0.110 0.000 0.837 145 S CB 1.337 64.438 63.200 -0.166 0.000 1.124 145 S HN 0.912 nan 8.310 nan 0.000 0.465 146 W N 0.168 121.355 121.300 -0.187 0.000 3.031 146 W HA 0.865 5.528 4.660 0.005 0.000 0.337 146 W C -1.346 175.011 176.519 -0.270 0.000 1.187 146 W CA -1.231 55.958 57.345 -0.260 0.000 1.166 146 W CB 1.349 30.680 29.460 -0.216 0.000 1.437 146 W HN 1.149 nan 8.180 nan 0.000 0.551 147 A N 2.650 125.481 122.820 0.020 0.000 2.488 147 A HA 0.756 5.080 4.320 0.006 0.000 0.298 147 A C -1.839 175.629 177.584 -0.194 0.000 1.044 147 A CA -0.909 51.025 52.037 -0.172 0.000 0.693 147 A CB 1.616 20.379 19.000 -0.395 0.000 1.272 147 A HN 0.656 nan 8.150 nan 0.000 0.402 148 L N 1.780 122.740 121.223 -0.438 0.000 2.307 148 L HA 0.646 4.990 4.340 0.006 0.000 0.284 148 L C -1.300 175.005 176.870 -0.942 0.000 1.023 148 L CA -0.309 54.156 54.840 -0.625 0.000 0.810 148 L CB 1.364 42.882 42.059 -0.902 0.000 1.231 148 L HN 0.680 nan 8.230 nan 0.000 0.423 149 F N 0.612 120.472 119.950 -0.150 0.000 2.495 149 F HA 0.342 4.874 4.527 0.008 0.000 0.327 149 F C 0.601 176.630 175.800 0.381 0.000 1.103 149 F CA -0.577 57.486 58.000 0.105 0.000 0.949 149 F CB 2.169 41.228 39.000 0.097 0.000 1.142 149 F HN 0.315 nan 8.300 nan 0.000 0.457 150 S N 1.123 117.210 115.700 0.644 0.000 2.528 150 S HA 0.178 4.652 4.470 0.006 0.000 0.277 150 S C 0.864 175.607 174.600 0.239 0.000 1.297 150 S CA -0.337 58.091 58.200 0.379 0.000 1.052 150 S CB 0.843 64.147 63.200 0.173 0.000 0.917 150 S HN 0.750 nan 8.310 nan 0.000 0.492 151 T N 3.874 118.520 114.554 0.153 0.000 2.937 151 T HA 0.055 4.408 4.350 0.006 0.000 0.260 151 T C 0.358 175.090 174.700 0.053 0.000 1.051 151 T CA 0.645 62.806 62.100 0.101 0.000 1.141 151 T CB -0.177 68.724 68.868 0.055 0.000 0.879 151 T HN 0.601 nan 8.240 nan 0.000 0.459 152 D N 0.786 121.198 120.400 0.019 0.000 2.383 152 D HA 0.221 4.865 4.640 0.006 0.000 0.248 152 D C 1.241 177.550 176.300 0.015 0.000 1.170 152 D CA -0.487 53.514 54.000 0.002 0.000 0.977 152 D CB 0.735 41.520 40.800 -0.026 0.000 1.120 152 D HN -0.176 nan 8.370 nan 0.000 0.481 153 K N 0.574 120.980 120.400 0.010 0.000 2.052 153 K HA -0.148 4.176 4.320 0.006 0.000 0.215 153 K C 0.705 177.312 176.600 0.011 0.000 1.053 153 K CA 1.542 57.838 56.287 0.016 0.000 0.934 153 K CB -0.133 32.371 32.500 0.008 0.000 0.717 153 K HN 0.399 nan 8.250 nan 0.000 0.450 154 R N 0.183 120.673 120.500 -0.018 0.000 2.873 154 R HA 0.275 4.619 4.340 0.006 0.000 0.264 154 R C 0.068 176.295 176.300 -0.122 0.000 1.026 154 R CA -0.488 55.584 56.100 -0.047 0.000 1.002 154 R CB 1.674 31.947 30.300 -0.044 0.000 1.174 154 R HN 0.091 nan 8.270 nan 0.000 0.488 155 S N -0.384 115.179 115.700 -0.229 0.000 2.669 155 S HA 0.125 4.599 4.470 0.006 0.000 0.270 155 S C 1.365 175.771 174.600 -0.323 0.000 1.225 155 S CA -0.920 56.981 58.200 -0.497 0.000 0.991 155 S CB 1.211 63.791 63.200 -1.033 0.000 0.987 155 S HN 0.318 nan 8.310 nan 0.000 0.552 156 V N 1.519 121.238 119.914 -0.326 0.000 2.252 156 V HA -0.216 3.908 4.120 0.006 0.000 0.249 156 V C 2.814 178.836 176.094 -0.120 0.000 1.056 156 V CA 2.648 64.851 62.300 -0.162 0.000 1.022 156 V CB -1.768 29.983 31.823 -0.121 0.000 0.641 156 V HN 1.039 nan 8.190 nan 0.000 0.445 157 T N -0.786 113.692 114.554 -0.126 0.000 2.759 157 T HA -0.283 4.071 4.350 0.006 0.000 0.269 157 T C 1.945 176.613 174.700 -0.052 0.000 1.042 157 T CA 1.799 63.868 62.100 -0.052 0.000 1.140 157 T CB -0.275 68.589 68.868 -0.007 0.000 0.864 157 T HN 0.558 nan 8.240 nan 0.000 0.455 158 Q N 0.338 120.087 119.800 -0.085 0.000 2.119 158 Q HA -0.087 4.257 4.340 0.006 0.000 0.201 158 Q C 2.377 178.353 176.000 -0.041 0.000 0.972 158 Q CA 1.146 56.917 55.803 -0.052 0.000 0.847 158 Q CB -0.046 28.657 28.738 -0.059 0.000 0.903 158 Q HN 0.639 nan 8.270 nan 0.000 0.433 159 E N 0.429 120.598 120.200 -0.053 0.000 2.107 159 E HA -0.135 4.219 4.350 0.006 0.000 0.191 159 E C 1.905 178.493 176.600 -0.020 0.000 0.982 159 E CA 0.737 57.117 56.400 -0.033 0.000 0.809 159 E CB -0.022 29.656 29.700 -0.035 0.000 0.756 159 E HN 0.365 nan 8.360 nan 0.000 0.459 160 I N 1.808 122.366 120.570 -0.020 0.000 2.361 160 I HA -0.220 3.954 4.170 0.006 0.000 0.251 160 I C 1.417 177.532 176.117 -0.005 0.000 1.133 160 I CA 0.824 62.119 61.300 -0.008 0.000 1.413 160 I CB -0.142 37.854 38.000 -0.008 0.000 1.073 160 I HN 0.086 nan 8.210 nan 0.000 0.424 161 N N 0.747 119.443 118.700 -0.007 0.000 2.236 161 N HA -0.020 4.724 4.740 0.006 0.000 0.196 161 N C 0.050 175.558 175.510 -0.003 0.000 1.114 161 N CA 0.123 53.172 53.050 -0.002 0.000 0.859 161 N CB -0.022 38.465 38.487 0.000 0.000 0.982 161 N HN 0.209 nan 8.380 nan 0.000 0.493 162 N N 1.538 120.234 118.700 -0.006 0.000 2.708 162 N HA -0.205 4.539 4.740 0.006 0.000 0.255 162 N C -1.094 174.415 175.510 -0.003 0.000 1.046 162 N CA 0.587 53.634 53.050 -0.005 0.000 0.715 162 N CB -0.977 37.509 38.487 -0.002 0.000 0.895 162 N HN 0.379 nan 8.380 nan 0.000 0.545 163 Q N -0.052 119.746 119.800 -0.004 0.000 2.297 163 Q HA 0.484 4.827 4.340 0.006 0.000 0.269 163 Q C -0.951 175.050 176.000 0.002 0.000 1.051 163 Q CA -0.917 54.887 55.803 0.001 0.000 0.869 163 Q CB 1.259 29.999 28.738 0.003 0.000 1.346 163 Q HN 0.272 nan 8.270 nan 0.000 0.457 164 D N 0.571 120.976 120.400 0.010 0.000 2.256 164 D HA 0.377 5.021 4.640 0.006 0.000 0.246 164 D C -0.889 175.426 176.300 0.025 0.000 1.042 164 D CA -0.324 53.685 54.000 0.014 0.000 0.841 164 D CB 1.752 42.561 40.800 0.015 0.000 1.223 164 D HN 0.605 nan 8.370 nan 0.000 0.470 165 A N 1.991 124.830 122.820 0.033 0.000 2.488 165 A HA 0.151 4.475 4.320 0.006 0.000 0.249 165 A C 1.579 179.196 177.584 0.055 0.000 1.083 165 A CA -0.403 51.666 52.037 0.054 0.000 0.768 165 A CB 0.393 19.436 19.000 0.072 0.000 1.017 165 A HN 0.480 nan 8.150 nan 0.000 0.496 166 V N 2.330 122.281 119.914 0.061 0.000 2.313 166 V HA -0.183 3.941 4.120 0.006 0.000 0.253 166 V C 1.325 177.451 176.094 0.053 0.000 1.070 166 V CA 2.401 64.733 62.300 0.053 0.000 1.057 166 V CB -1.443 30.414 31.823 0.057 0.000 0.653 166 V HN 1.338 nan 8.190 nan 0.000 0.450 167 S N -2.571 113.170 115.700 0.069 0.000 2.643 167 S HA 0.238 4.712 4.470 0.006 0.000 0.266 167 S C -0.653 174.003 174.600 0.093 0.000 1.130 167 S CA -0.413 57.827 58.200 0.067 0.000 0.817 167 S CB 1.236 64.471 63.200 0.058 0.000 1.107 167 S HN 0.172 nan 8.310 nan 0.000 0.471 168 D N 1.259 121.708 120.400 0.082 0.000 2.324 168 D HA 0.124 4.768 4.640 0.006 0.000 0.235 168 D C 1.253 177.625 176.300 0.120 0.000 1.095 168 D CA 1.239 55.298 54.000 0.098 0.000 0.871 168 D CB 0.003 40.840 40.800 0.061 0.000 0.906 168 D HN 0.768 nan 8.370 nan 0.000 0.522 169 T N -3.792 110.843 114.554 0.135 0.000 3.111 169 T HA 0.100 4.454 4.350 0.006 0.000 0.284 169 T C 0.652 175.520 174.700 0.281 0.000 0.983 169 T CA -0.313 61.885 62.100 0.162 0.000 0.900 169 T CB 0.377 69.288 68.868 0.072 0.000 1.132 169 T HN -0.255 nan 8.240 nan 0.000 0.531 170 T N 4.869 119.561 114.554 0.230 0.000 2.767 170 T HA 0.524 4.878 4.350 0.006 0.000 0.288 170 T C -2.763 171.988 174.700 0.085 0.000 0.963 170 T CA -1.100 61.089 62.100 0.149 0.000 1.019 170 T CB 1.361 70.289 68.868 0.099 0.000 0.923 170 T HN 0.097 nan 8.240 nan 0.000 0.468 171 P HA 0.194 nan 4.420 nan 0.000 0.276 171 P C 0.336 177.541 177.300 -0.158 0.000 1.230 171 P CA -0.580 62.167 63.100 -0.589 0.000 0.776 171 P CB 0.276 31.499 31.700 -0.796 0.000 0.888 172 F N 0.159 120.036 119.950 -0.122 0.000 2.789 172 F HA 0.391 4.921 4.527 0.006 0.000 0.300 172 F C 0.457 176.221 175.800 -0.060 0.000 1.132 172 F CA -0.256 57.718 58.000 -0.045 0.000 1.404 172 F CB 0.036 39.020 39.000 -0.027 0.000 1.114 172 F HN 0.188 nan 8.300 nan 0.000 0.584 173 S N 0.081 115.527 115.700 -0.424 0.000 2.556 173 S HA 0.615 5.089 4.470 0.006 0.000 0.280 173 S C -1.508 172.930 174.600 -0.270 0.000 1.141 173 S CA -0.849 57.154 58.200 -0.329 0.000 0.883 173 S CB 0.648 63.743 63.200 -0.175 0.000 1.103 173 S HN 0.476 nan 8.310 nan 0.000 0.453 174 F N 0.578 120.215 119.950 -0.522 0.000 2.725 174 F HA 0.727 5.258 4.527 0.006 0.000 0.309 174 F C -0.296 174.707 175.800 -1.329 0.000 1.132 174 F CA -0.825 56.548 58.000 -1.045 0.000 0.957 174 F CB 0.490 39.077 39.000 -0.689 0.000 1.286 174 F HN 0.499 nan 8.300 nan 0.000 0.440 175 S N 1.128 115.848 115.700 -1.633 0.000 2.645 175 S HA 0.699 5.173 4.470 0.006 0.000 0.266 175 S C 0.142 174.490 174.600 -0.420 0.000 1.258 175 S CA 0.042 57.590 58.200 -1.086 0.000 0.990 175 S CB 0.995 63.460 63.200 -1.225 0.000 0.967 175 S HN 2.625 nan 8.310 nan 0.000 0.556 176 S N 0.425 115.955 115.700 -0.283 0.000 3.769 176 S HA -0.200 4.273 4.470 0.006 0.000 0.656 176 S C 0.246 174.791 174.600 -0.091 0.000 1.960 176 S CA 0.642 58.759 58.200 -0.138 0.000 2.104 176 S CB -1.439 61.701 63.200 -0.100 0.000 0.328 176 S HN 0.960 nan 8.310 nan 0.000 1.640 177 K N 0.496 120.845 120.400 -0.085 0.000 2.365 177 K HA 0.145 4.469 4.320 0.006 0.000 0.197 177 K C 0.674 177.047 176.600 -0.378 0.000 1.042 177 K CA 0.880 57.038 56.287 -0.214 0.000 0.987 177 K CB -0.066 32.274 32.500 -0.266 0.000 0.779 177 K HN 0.581 nan 8.250 nan 0.000 0.484 178 H N -1.223 117.875 119.070 0.046 0.000 2.928 178 H HA 0.568 5.128 4.556 0.006 0.000 0.371 178 H C -1.238 173.850 175.328 -0.399 0.000 1.186 178 H CA -0.964 55.015 56.048 -0.116 0.000 1.134 178 H CB 2.256 31.953 29.762 -0.110 0.000 1.824 178 H HN -0.030 nan 8.280 nan 0.000 0.554 179 A N 1.469 123.962 122.820 -0.544 0.000 2.437 179 A HA 0.554 4.878 4.320 0.006 0.000 0.293 179 A C -0.815 176.532 177.584 -0.395 0.000 1.038 179 A CA -0.601 51.011 52.037 -0.707 0.000 0.708 179 A CB 1.419 19.514 19.000 -1.508 0.000 1.251 179 A HN 0.551 nan 8.150 nan 0.000 0.409 180 T N 2.176 116.585 114.554 -0.241 0.000 2.824 180 T HA 0.598 4.952 4.350 0.006 0.000 0.282 180 T C -0.791 173.875 174.700 -0.056 0.000 0.993 180 T CA -0.077 61.949 62.100 -0.123 0.000 0.967 180 T CB 0.868 69.691 68.868 -0.074 0.000 0.960 180 T HN 0.395 nan 8.240 nan 0.000 0.441 181 I N 3.456 124.019 120.570 -0.012 0.000 2.390 181 I HA 0.273 4.447 4.170 0.006 0.000 0.283 181 I C 0.374 176.508 176.117 0.029 0.000 1.016 181 I CA -0.628 60.695 61.300 0.039 0.000 1.151 181 I CB 1.252 39.297 38.000 0.075 0.000 1.293 181 I HN 0.438 nan 8.210 nan 0.000 0.458 182 E N 5.306 125.537 120.200 0.051 0.000 2.392 182 E HA 0.171 4.525 4.350 0.006 0.000 0.259 182 E C 0.906 177.518 176.600 0.020 0.000 1.108 182 E CA -0.313 56.115 56.400 0.046 0.000 0.916 182 E CB 0.805 30.556 29.700 0.085 0.000 0.989 182 E HN 0.280 nan 8.360 nan 0.000 0.432 183 K N 1.620 122.027 120.400 0.012 0.000 2.103 183 K HA -0.151 4.173 4.320 0.006 0.000 0.207 183 K C 1.338 177.929 176.600 -0.015 0.000 1.048 183 K CA 1.138 57.423 56.287 -0.004 0.000 0.930 183 K CB -0.312 32.188 32.500 -0.001 0.000 0.716 183 K HN 0.530 nan 8.250 nan 0.000 0.444 184 N N 0.991 119.692 118.700 0.002 0.000 2.381 184 N HA -0.167 4.576 4.740 0.006 0.000 0.182 184 N C 1.245 176.727 175.510 -0.046 0.000 1.025 184 N CA 0.949 53.996 53.050 -0.004 0.000 0.888 184 N CB -0.181 38.326 38.487 0.033 0.000 0.965 184 N HN 0.380 nan 8.380 nan 0.000 0.438 185 E N 0.875 121.039 120.200 -0.060 0.000 2.107 185 E HA 0.017 4.371 4.350 0.006 0.000 0.191 185 E C 2.091 178.521 176.600 -0.284 0.000 0.982 185 E CA 0.528 56.809 56.400 -0.199 0.000 0.809 185 E CB -0.106 29.509 29.700 -0.141 0.000 0.756 185 E HN 0.356 nan 8.360 nan 0.000 0.459 186 I N 1.810 122.275 120.570 -0.174 0.000 2.143 186 I HA -0.384 3.790 4.170 0.006 0.000 0.245 186 I C 2.748 178.755 176.117 -0.183 0.000 1.068 186 I CA 1.678 62.880 61.300 -0.163 0.000 1.326 186 I CB -0.694 37.254 38.000 -0.087 0.000 1.028 186 I HN 0.164 nan 8.210 nan 0.000 0.412 187 S N 1.279 116.885 115.700 -0.156 0.000 2.368 187 S HA -0.164 4.310 4.470 0.006 0.000 0.225 187 S C 1.986 176.465 174.600 -0.202 0.000 1.030 187 S CA 1.205 59.322 58.200 -0.138 0.000 0.999 187 S CB -0.924 62.217 63.200 -0.097 0.000 0.844 187 S HN 0.453 nan 8.310 nan 0.000 0.459 188 I N 1.114 121.499 120.570 -0.307 0.000 2.179 188 I HA -0.138 4.036 4.170 0.006 0.000 0.242 188 I C 2.597 178.413 176.117 -0.501 0.000 1.088 188 I CA 1.219 62.258 61.300 -0.436 0.000 1.357 188 I CB -0.518 37.070 38.000 -0.687 0.000 1.051 188 I HN 0.286 nan 8.210 nan 0.000 0.409 189 L N 0.723 121.582 121.223 -0.606 0.000 2.017 189 L HA -0.249 4.095 4.340 0.006 0.000 0.208 189 L C 2.550 179.289 176.870 -0.219 0.000 1.073 189 L CA 1.902 56.457 54.840 -0.476 0.000 0.745 189 L CB -0.740 41.011 42.059 -0.513 0.000 0.894 189 L HN 0.242 nan 8.230 nan 0.000 0.432 190 Q N -0.796 118.902 119.800 -0.170 0.000 2.084 190 Q HA -0.185 4.159 4.340 0.006 0.000 0.202 190 Q C 1.998 177.976 176.000 -0.037 0.000 0.978 190 Q CA 1.584 57.341 55.803 -0.076 0.000 0.844 190 Q CB -0.286 28.414 28.738 -0.062 0.000 0.898 190 Q HN 0.581 nan 8.270 nan 0.000 0.426 191 N N 0.764 119.427 118.700 -0.063 0.000 2.166 191 N HA -0.136 4.608 4.740 0.006 0.000 0.186 191 N C 1.733 177.270 175.510 0.044 0.000 1.019 191 N CA 0.769 53.811 53.050 -0.013 0.000 0.856 191 N CB -0.190 38.268 38.487 -0.049 0.000 0.993 191 N HN 0.128 nan 8.380 nan 0.000 0.426 192 L N 1.666 122.884 121.223 -0.008 0.000 2.141 192 L HA -0.037 4.307 4.340 0.006 0.000 0.209 192 L C 2.219 179.218 176.870 0.215 0.000 1.094 192 L CA 1.364 56.252 54.840 0.079 0.000 0.763 192 L CB -0.265 41.792 42.059 -0.004 0.000 0.908 192 L HN 0.002 nan 8.230 nan 0.000 0.437 193 R N -0.636 119.941 120.500 0.127 0.000 2.066 193 R HA -0.170 4.174 4.340 0.006 0.000 0.232 193 R C 2.342 178.732 176.300 0.150 0.000 1.131 193 R CA 1.576 57.759 56.100 0.137 0.000 0.955 193 R CB -0.299 30.049 30.300 0.079 0.000 0.851 193 R HN 0.288 nan 8.270 nan 0.000 0.432 194 K N -0.264 120.214 120.400 0.129 0.000 2.103 194 K HA -0.220 4.104 4.320 0.006 0.000 0.207 194 K C 1.837 178.533 176.600 0.160 0.000 1.048 194 K CA 1.563 57.919 56.287 0.115 0.000 0.930 194 K CB -0.154 32.401 32.500 0.091 0.000 0.716 194 K HN 0.237 nan 8.250 nan 0.000 0.444 195 W N 0.931 122.255 121.300 0.040 0.000 2.409 195 W HA -0.078 4.586 4.660 0.007 0.000 0.299 195 W C 1.951 178.551 176.519 0.136 0.000 1.203 195 W CA 1.892 59.264 57.345 0.046 0.000 1.298 195 W CB -0.338 29.114 29.460 -0.013 0.000 1.127 195 W HN 0.137 nan 8.180 nan 0.000 0.528 196 A N 0.942 123.979 122.820 0.361 0.000 1.908 196 A HA -0.283 4.041 4.320 0.006 0.000 0.218 196 A C 1.904 179.613 177.584 0.208 0.000 1.181 196 A CA 2.121 54.355 52.037 0.329 0.000 0.627 196 A CB -1.064 18.156 19.000 0.366 0.000 0.818 196 A HN 0.471 nan 8.150 nan 0.000 0.445 197 N N -0.279 118.486 118.700 0.108 0.000 2.106 197 N HA -0.150 4.594 4.740 0.006 0.000 0.188 197 N C 1.945 177.475 175.510 0.034 0.000 1.029 197 N CA 1.571 54.664 53.050 0.072 0.000 0.848 197 N CB -0.485 38.026 38.487 0.041 0.000 1.007 197 N HN 0.670 nan 8.380 nan 0.000 0.423 198 Q N -0.307 119.469 119.800 -0.040 0.000 2.135 198 Q HA -0.189 4.155 4.340 0.006 0.000 0.204 198 Q C 1.797 177.734 176.000 -0.105 0.000 0.981 198 Q CA 1.270 57.022 55.803 -0.085 0.000 0.856 198 Q CB -0.254 28.414 28.738 -0.117 0.000 0.902 198 Q HN 0.418 nan 8.270 nan 0.000 0.425 199 Y N 0.339 120.380 120.300 -0.432 0.000 2.089 199 Y HA -0.228 4.328 4.550 0.009 0.000 0.282 199 Y C 1.721 177.548 175.900 -0.122 0.000 1.139 199 Y CA 1.338 59.166 58.100 -0.454 0.000 1.123 199 Y CB -0.535 37.271 38.460 -1.090 0.000 0.980 199 Y HN 0.001 nan 8.280 nan 0.000 0.493 200 F N 0.219 120.016 119.950 -0.255 0.000 2.293 200 F HA -0.137 4.394 4.527 0.006 0.000 0.300 200 F C 2.712 178.413 175.800 -0.164 0.000 1.086 200 F CA 1.507 59.366 58.000 -0.236 0.000 1.375 200 F CB -0.642 38.310 39.000 -0.080 0.000 1.045 200 F HN 0.202 nan 8.300 nan 0.000 0.516 201 S N -2.638 113.075 115.700 0.022 0.000 2.528 201 S HA 0.014 4.488 4.470 0.006 0.000 0.219 201 S C 1.748 176.278 174.600 -0.116 0.000 0.985 201 S CA 0.755 58.935 58.200 -0.034 0.000 0.914 201 S CB -0.142 63.045 63.200 -0.021 0.000 0.776 201 S HN 0.145 nan 8.310 nan 0.000 0.526 202 S N -0.270 115.324 115.700 -0.178 0.000 2.499 202 S HA 0.405 4.879 4.470 0.006 0.000 0.225 202 S C -0.362 173.898 174.600 -0.567 0.000 1.050 202 S CA -0.168 57.815 58.200 -0.361 0.000 0.928 202 S CB -0.012 62.942 63.200 -0.410 0.000 0.803 202 S HN 0.607 nan 8.310 nan 0.000 0.506 203 Y N 0.026 120.199 120.300 -0.212 0.000 2.630 203 Y HA 0.434 4.987 4.550 0.006 0.000 0.337 203 Y C 1.433 177.146 175.900 -0.311 0.000 1.051 203 Y CA -0.916 57.048 58.100 -0.226 0.000 1.121 203 Y CB 1.038 39.365 38.460 -0.221 0.000 1.299 203 Y HN -0.171 nan 8.280 nan 0.000 0.498 204 S N -0.509 115.169 115.700 -0.037 0.000 2.428 204 S HA -0.102 4.372 4.470 0.006 0.000 0.230 204 S C 1.444 175.929 174.600 -0.191 0.000 1.014 204 S CA 1.095 59.236 58.200 -0.098 0.000 0.957 204 S CB -0.144 63.058 63.200 0.003 0.000 0.784 204 S HN 0.682 nan 8.310 nan 0.000 0.499 205 V N 0.134 119.888 119.914 -0.266 0.000 0.516 205 V HA -0.260 3.864 4.120 0.006 0.000 0.092 205 V C 0.271 176.359 176.094 -0.009 0.000 2.243 205 V CA 1.647 63.737 62.300 -0.349 0.000 3.573 205 V CB -1.002 30.308 31.823 -0.855 0.000 0.862 205 V HN 0.470 nan 8.190 nan 0.000 0.902 206 I N 3.146 123.762 120.570 0.076 0.000 2.206 206 I HA 0.266 4.440 4.170 0.006 0.000 0.292 206 I C 1.046 177.313 176.117 0.249 0.000 1.156 206 I CA 0.617 62.034 61.300 0.195 0.000 1.356 206 I CB -0.216 37.942 38.000 0.262 0.000 1.494 206 I HN 0.624 nan 8.210 nan 0.000 0.601 207 S N 2.880 118.710 115.700 0.216 0.000 2.572 207 S HA -0.000 4.474 4.470 0.006 0.000 0.267 207 S C 1.589 176.325 174.600 0.227 0.000 1.361 207 S CA -0.031 58.288 58.200 0.199 0.000 1.009 207 S CB 0.548 63.830 63.200 0.136 0.000 0.888 207 S HN 0.681 nan 8.310 nan 0.000 0.553 208 S N 0.520 116.257 115.700 0.061 0.000 2.419 208 S HA -0.207 4.267 4.470 0.006 0.000 0.235 208 S C 1.266 175.656 174.600 -0.350 0.000 1.019 208 S CA 1.203 59.232 58.200 -0.284 0.000 0.982 208 S CB -0.827 62.264 63.200 -0.182 0.000 0.789 208 S HN 0.897 nan 8.310 nan 0.000 0.490 209 D N 0.908 121.250 120.400 -0.098 0.000 2.363 209 D HA -0.020 4.624 4.640 0.006 0.000 0.226 209 D C 1.354 177.670 176.300 0.026 0.000 1.020 209 D CA 0.315 54.286 54.000 -0.048 0.000 0.892 209 D CB -0.356 40.451 40.800 0.012 0.000 0.900 209 D HN 0.502 nan 8.370 nan 0.000 0.531 210 M N -0.285 119.373 119.600 0.097 0.000 2.453 210 M HA 0.176 4.660 4.480 0.006 0.000 0.239 210 M C -0.749 175.751 176.300 0.334 0.000 1.151 210 M CA -0.214 55.220 55.300 0.223 0.000 0.989 210 M CB 0.065 32.828 32.600 0.272 0.000 1.548 210 M HN 0.058 nan 8.290 nan 0.000 0.479 211 Y N -4.187 116.166 120.300 0.089 0.000 2.677 211 Y HA 0.595 5.149 4.550 0.006 0.000 0.334 211 Y C -1.132 174.808 175.900 0.067 0.000 1.196 211 Y CA -1.446 56.712 58.100 0.098 0.000 1.059 211 Y CB 0.622 39.139 38.460 0.097 0.000 1.315 211 Y HN -0.274 nan 8.280 nan 0.000 0.455 212 T N 1.875 116.538 114.554 0.183 0.000 2.855 212 T HA 0.750 5.103 4.350 0.006 0.000 0.281 212 T C -0.200 174.515 174.700 0.025 0.000 1.007 212 T CA -0.293 61.795 62.100 -0.019 0.000 1.009 212 T CB 1.430 70.196 68.868 -0.170 0.000 0.983 212 T HN 0.946 nan 8.240 nan 0.000 0.455 213 A N 2.838 125.628 122.820 -0.050 0.000 2.450 213 A HA 0.369 4.693 4.320 0.006 0.000 0.255 213 A C 1.533 179.082 177.584 -0.058 0.000 1.096 213 A CA -0.366 51.672 52.037 0.001 0.000 0.778 213 A CB -0.290 18.701 19.000 -0.015 0.000 1.031 213 A HN 1.006 nan 8.150 nan 0.000 0.494 214 L N 1.835 123.054 121.223 -0.007 0.000 2.129 214 L HA -0.227 4.117 4.340 0.006 0.000 0.212 214 L C 2.161 179.099 176.870 0.112 0.000 1.087 214 L CA 1.658 56.475 54.840 -0.038 0.000 0.757 214 L CB -0.537 41.570 42.059 0.081 0.000 0.896 214 L HN 0.974 nan 8.230 nan 0.000 0.434 215 N N -0.538 118.227 118.700 0.109 0.000 2.521 215 N HA -0.120 4.624 4.740 0.006 0.000 0.188 215 N C 0.986 176.512 175.510 0.028 0.000 1.146 215 N CA 0.635 53.757 53.050 0.119 0.000 0.893 215 N CB 0.073 38.608 38.487 0.079 0.000 0.975 215 N HN 0.274 nan 8.380 nan 0.000 0.451 216 K N -0.585 119.783 120.400 -0.055 0.000 2.477 216 K HA 0.336 4.659 4.320 0.006 0.000 0.208 216 K C 1.173 177.622 176.600 -0.251 0.000 1.117 216 K CA 0.269 56.480 56.287 -0.128 0.000 1.039 216 K CB 0.681 33.105 32.500 -0.126 0.000 0.937 216 K HN 0.159 nan 8.250 nan 0.000 0.570 217 A N 1.384 124.027 122.820 -0.296 0.000 2.024 217 A HA -0.219 4.105 4.320 0.006 0.000 0.220 217 A C 2.103 179.452 177.584 -0.391 0.000 1.164 217 A CA 1.557 53.261 52.037 -0.554 0.000 0.643 217 A CB -0.301 18.448 19.000 -0.419 0.000 0.806 217 A HN 0.386 nan 8.150 nan 0.000 0.451 218 Q N -0.927 118.609 119.800 -0.441 0.000 2.435 218 Q HA 0.125 4.469 4.340 0.006 0.000 0.207 218 Q C 1.726 177.503 176.000 -0.371 0.000 0.956 218 Q CA 0.810 56.145 55.803 -0.779 0.000 0.917 218 Q CB -0.206 27.968 28.738 -0.940 0.000 0.997 218 Q HN 0.615 nan 8.270 nan 0.000 0.497 219 A N -0.112 122.555 122.820 -0.254 0.000 2.178 219 A HA 0.049 4.372 4.320 0.006 0.000 0.211 219 A C 0.609 178.126 177.584 -0.111 0.000 1.157 219 A CA -0.054 51.889 52.037 -0.156 0.000 0.780 219 A CB 0.181 19.103 19.000 -0.130 0.000 0.828 219 A HN 0.266 nan 8.150 nan 0.000 0.476 220 Q N 0.231 119.954 119.800 -0.129 0.000 2.352 220 Q HA 0.135 4.478 4.340 0.006 0.000 0.260 220 Q C 0.461 176.496 176.000 0.058 0.000 0.976 220 Q CA 0.192 55.980 55.803 -0.025 0.000 0.881 220 Q CB 1.081 29.826 28.738 0.012 0.000 1.235 220 Q HN 0.435 nan 8.270 nan 0.000 0.419 221 K N 0.680 121.124 120.400 0.073 0.000 2.031 221 K HA -0.046 4.278 4.320 0.006 0.000 0.205 221 K C 1.031 177.702 176.600 0.119 0.000 1.049 221 K CA 1.265 57.599 56.287 0.078 0.000 0.939 221 K CB 0.226 32.764 32.500 0.062 0.000 0.717 221 K HN 0.730 nan 8.250 nan 0.000 0.438 222 G N 0.438 109.330 108.800 0.153 0.000 3.291 222 G HA2 0.065 4.029 3.960 0.006 0.000 0.173 222 G HA3 0.065 4.029 3.960 0.006 0.000 0.173 222 G C -1.138 173.897 174.900 0.225 0.000 1.099 222 G CA -0.386 44.811 45.100 0.162 0.000 0.794 222 G HN 0.278 nan 8.290 nan 0.000 0.651 223 D N -0.318 120.160 120.400 0.130 0.000 2.371 223 D HA 0.465 5.109 4.640 0.006 0.000 0.242 223 D C -0.434 175.932 176.300 0.110 0.000 1.218 223 D CA 0.199 54.194 54.000 -0.008 0.000 0.945 223 D CB 1.251 42.041 40.800 -0.018 0.000 1.137 223 D HN 0.410 nan 8.370 nan 0.000 0.464 224 F N -2.950 117.039 119.950 0.064 0.000 2.858 224 F HA 0.421 4.951 4.527 0.006 0.000 0.319 224 F C -1.568 174.268 175.800 0.060 0.000 1.166 224 F CA -1.265 56.769 58.000 0.057 0.000 0.899 224 F CB 0.830 39.853 39.000 0.040 0.000 1.332 224 F HN 0.029 nan 8.300 nan 0.000 0.461 225 D N 0.927 121.528 120.400 0.335 0.000 2.268 225 D HA 0.701 5.345 4.640 0.006 0.000 0.249 225 D C -0.879 175.628 176.300 0.345 0.000 1.008 225 D CA -0.302 53.842 54.000 0.239 0.000 0.939 225 D CB 2.567 43.498 40.800 0.218 0.000 1.170 225 D HN 0.462 nan 8.370 nan 0.000 0.468 226 V N 0.670 120.703 119.914 0.198 0.000 3.007 226 V HA 0.429 4.553 4.120 0.006 0.000 0.311 226 V C -0.469 175.621 176.094 -0.007 0.000 1.120 226 V CA -0.802 61.594 62.300 0.160 0.000 0.980 226 V CB 2.611 34.499 31.823 0.109 0.000 1.033 226 V HN 0.292 nan 8.190 nan 0.000 0.429 227 V N 3.000 122.838 119.914 -0.126 0.000 2.385 227 V HA 0.834 4.957 4.120 0.006 0.000 0.277 227 V C 0.044 176.060 176.094 -0.129 0.000 1.012 227 V CA -0.052 62.097 62.300 -0.251 0.000 0.832 227 V CB 1.104 32.471 31.823 -0.760 0.000 1.028 227 V HN 1.070 nan 8.190 nan 0.000 0.436 228 A N 4.184 126.972 122.820 -0.052 0.000 2.485 228 A HA 0.872 5.196 4.320 0.006 0.000 0.292 228 A C -0.701 176.868 177.584 -0.026 0.000 1.147 228 A CA -0.880 51.140 52.037 -0.029 0.000 0.750 228 A CB 1.906 20.904 19.000 -0.004 0.000 1.331 228 A HN 0.585 nan 8.150 nan 0.000 0.419 229 K N 0.710 121.095 120.400 -0.025 0.000 2.143 229 K HA 0.561 4.885 4.320 0.006 0.000 0.272 229 K C -1.033 175.551 176.600 -0.026 0.000 1.001 229 K CA -0.405 55.866 56.287 -0.026 0.000 0.915 229 K CB 0.562 33.044 32.500 -0.029 0.000 1.047 229 K HN 0.582 nan 8.250 nan 0.000 0.458 230 I N 6.404 126.958 120.570 -0.027 0.000 2.294 230 I HA -0.033 4.141 4.170 0.006 0.000 0.295 230 I C 0.647 176.753 176.117 -0.017 0.000 1.098 230 I CA -0.327 60.957 61.300 -0.028 0.000 1.277 230 I CB 0.583 38.560 38.000 -0.037 0.000 1.434 230 I HN 0.663 nan 8.210 nan 0.000 0.498 231 L N 4.838 126.051 121.223 -0.016 0.000 2.240 231 L HA 0.085 4.429 4.340 0.006 0.000 0.211 231 L C 0.789 177.674 176.870 0.025 0.000 1.106 231 L CA 1.333 56.174 54.840 0.000 0.000 0.793 231 L CB -0.423 41.632 42.059 -0.006 0.000 0.927 231 L HN 0.629 nan 8.230 nan 0.000 0.446 232 Q N -1.115 118.701 119.800 0.026 0.000 2.386 232 Q HA 0.399 4.743 4.340 0.006 0.000 0.274 232 Q C -1.958 174.076 176.000 0.055 0.000 1.011 232 Q CA -0.360 55.473 55.803 0.050 0.000 0.867 232 Q CB 2.223 31.010 28.738 0.082 0.000 1.409 232 Q HN -0.207 nan 8.270 nan 0.000 0.395 233 V N 3.584 123.525 119.914 0.046 0.000 2.284 233 V HA 0.259 4.383 4.120 0.006 0.000 0.274 233 V C -0.819 175.302 176.094 0.046 0.000 1.023 233 V CA -0.594 61.729 62.300 0.038 0.000 0.808 233 V CB 0.773 32.598 31.823 0.002 0.000 1.035 233 V HN 0.713 nan 8.190 nan 0.000 0.445 234 H N 3.133 122.175 119.070 -0.047 0.000 2.552 234 H HA 0.358 4.918 4.556 0.006 0.000 0.311 234 H C 0.190 175.443 175.328 -0.125 0.000 1.071 234 H CA -0.368 55.604 56.048 -0.128 0.000 1.307 234 H CB 1.111 30.777 29.762 -0.159 0.000 1.416 234 H HN 0.697 nan 8.280 nan 0.000 0.464 235 E N 5.549 125.376 120.200 -0.621 0.000 1.858 235 E HA 0.007 4.360 4.350 0.006 0.000 0.267 235 E C 0.568 176.737 176.600 -0.719 0.000 1.215 235 E CA -0.276 55.831 56.400 -0.488 0.000 0.952 235 E CB 0.167 29.687 29.700 -0.300 0.000 1.058 235 E HN 0.708 nan 8.360 nan 0.000 0.407 236 L N 4.593 125.522 121.223 -0.489 0.000 2.017 236 L HA -0.066 4.278 4.340 0.006 0.000 0.208 236 L C 0.103 176.891 176.870 -0.137 0.000 1.073 236 L CA 2.197 56.872 54.840 -0.274 0.000 0.745 236 L CB -0.054 41.975 42.059 -0.050 0.000 0.894 236 L HN 0.730 nan 8.230 nan 0.000 0.432 237 D N -4.481 115.856 120.400 -0.106 0.000 2.825 237 D HA 0.058 4.702 4.640 0.006 0.000 0.327 237 D C 0.582 176.792 176.300 -0.150 0.000 1.277 237 D CA -0.193 53.763 54.000 -0.073 0.000 0.950 237 D CB 0.054 40.863 40.800 0.014 0.000 1.438 237 D HN -0.003 nan 8.370 nan 0.000 0.526 238 E N -1.460 118.565 120.200 -0.291 0.000 2.209 238 E HA -0.219 4.135 4.350 0.006 0.000 0.196 238 E C 0.280 176.549 176.600 -0.550 0.000 0.993 238 E CA 1.451 57.529 56.400 -0.537 0.000 0.819 238 E CB -0.047 29.129 29.700 -0.873 0.000 0.745 238 E HN 0.574 nan 8.360 nan 0.000 0.477 239 Y N -1.601 118.683 120.300 -0.028 0.000 2.563 239 Y HA 0.345 4.898 4.550 0.006 0.000 0.250 239 Y C 0.036 175.913 175.900 -0.038 0.000 1.126 239 Y CA -0.491 57.590 58.100 -0.033 0.000 1.231 239 Y CB 0.593 39.032 38.460 -0.034 0.000 1.288 239 Y HN -0.205 nan 8.280 nan 0.000 0.537 240 T N 1.698 116.319 114.554 0.113 0.000 2.841 240 T HA 0.383 4.736 4.350 0.006 0.000 0.283 240 T C -0.632 174.069 174.700 0.002 0.000 1.000 240 T CA -0.794 61.344 62.100 0.062 0.000 0.977 240 T CB 1.508 70.419 68.868 0.071 0.000 0.979 240 T HN -0.020 nan 8.240 nan 0.000 0.446 241 N N 2.137 120.847 118.700 0.016 0.000 2.405 241 N HA 0.293 5.037 4.740 0.006 0.000 0.299 241 N C -0.651 174.881 175.510 0.037 0.000 1.075 241 N CA -0.559 52.489 53.050 -0.003 0.000 0.884 241 N CB 1.925 40.420 38.487 0.014 0.000 1.194 241 N HN 0.668 nan 8.380 nan 0.000 0.491 242 E N 2.370 122.601 120.200 0.051 0.000 2.114 242 E HA 0.238 4.592 4.350 0.006 0.000 0.266 242 E C -0.991 175.704 176.600 0.158 0.000 0.896 242 E CA -0.656 55.818 56.400 0.124 0.000 0.750 242 E CB 0.714 30.512 29.700 0.163 0.000 1.121 242 E HN 0.264 nan 8.360 nan 0.000 0.413 243 L N 4.098 125.404 121.223 0.138 0.000 2.326 243 L HA 0.302 4.646 4.340 0.006 0.000 0.278 243 L C 0.298 177.239 176.870 0.118 0.000 1.092 243 L CA 0.134 55.034 54.840 0.100 0.000 0.810 243 L CB 0.952 43.032 42.059 0.033 0.000 1.153 243 L HN 0.404 nan 8.230 nan 0.000 0.439 244 K N 4.322 124.746 120.400 0.040 0.000 2.299 244 K HA 0.529 4.853 4.320 0.006 0.000 0.268 244 K C -1.231 175.287 176.600 -0.137 0.000 1.075 244 K CA -0.368 55.822 56.287 -0.162 0.000 0.936 244 K CB 0.302 32.749 32.500 -0.087 0.000 1.228 244 K HN 0.520 nan 8.250 nan 0.000 0.454 245 L N 3.242 124.382 121.223 -0.138 0.000 2.360 245 L HA 0.542 4.886 4.340 0.006 0.000 0.271 245 L C -0.298 176.551 176.870 -0.034 0.000 1.057 245 L CA -0.849 53.960 54.840 -0.051 0.000 0.803 245 L CB 1.399 43.459 42.059 0.002 0.000 1.207 245 L HN 0.524 nan 8.230 nan 0.000 0.445 246 K N 1.650 122.045 120.400 -0.010 0.000 2.581 246 K HA 0.250 4.574 4.320 0.006 0.000 0.249 246 K C -1.621 174.989 176.600 0.016 0.000 0.966 246 K CA -0.604 55.689 56.287 0.011 0.000 0.811 246 K CB 1.572 34.064 32.500 -0.015 0.000 1.223 246 K HN 0.718 nan 8.250 nan 0.000 0.438 247 D N 2.755 123.180 120.400 0.042 0.000 2.564 247 D HA 0.229 4.872 4.640 0.006 0.000 0.273 247 D C 0.918 177.240 176.300 0.036 0.000 1.192 247 D CA -0.355 53.666 54.000 0.036 0.000 1.080 247 D CB 0.587 41.425 40.800 0.064 0.000 1.160 247 D HN 0.400 nan 8.370 nan 0.000 0.607 248 A N -0.391 122.457 122.820 0.046 0.000 2.125 248 A HA -0.114 4.210 4.320 0.006 0.000 0.219 248 A C 1.941 179.549 177.584 0.040 0.000 1.156 248 A CA 1.978 54.039 52.037 0.040 0.000 0.671 248 A CB -0.998 18.036 19.000 0.057 0.000 0.794 248 A HN 0.587 nan 8.150 nan 0.000 0.459 249 S N -1.984 113.749 115.700 0.054 0.000 2.562 249 S HA 0.340 4.814 4.470 0.006 0.000 0.221 249 S C 1.522 176.148 174.600 0.042 0.000 0.975 249 S CA 1.121 59.348 58.200 0.046 0.000 0.918 249 S CB -0.370 62.862 63.200 0.054 0.000 0.772 249 S HN 1.866 nan 8.310 nan 0.000 0.531 250 G N 0.176 109.000 108.800 0.040 0.000 2.205 250 G HA2 -0.245 3.719 3.960 0.006 0.000 0.261 250 G HA3 -0.245 3.719 3.960 0.006 0.000 0.261 250 G C 0.017 174.945 174.900 0.046 0.000 0.980 250 G CA 0.219 45.337 45.100 0.030 0.000 0.632 250 G HN 0.552 nan 8.290 nan 0.000 0.533 251 Q N 0.241 120.091 119.800 0.083 0.000 2.327 251 Q HA 0.527 4.871 4.340 0.006 0.000 0.254 251 Q C 0.134 176.215 176.000 0.136 0.000 0.952 251 Q CA -0.065 55.813 55.803 0.126 0.000 0.884 251 Q CB 1.694 30.571 28.738 0.232 0.000 1.224 251 Q HN 0.262 nan 8.270 nan 0.000 0.422 252 V N 4.433 124.383 119.914 0.060 0.000 2.435 252 V HA 0.492 4.616 4.120 0.006 0.000 0.290 252 V C -0.593 175.452 176.094 -0.082 0.000 1.030 252 V CA -0.347 61.939 62.300 -0.023 0.000 0.881 252 V CB 0.965 32.717 31.823 -0.119 0.000 0.983 252 V HN 0.582 nan 8.190 nan 0.000 0.445 253 F N 2.993 122.829 119.950 -0.191 0.000 2.613 253 F HA 0.678 5.209 4.527 0.007 0.000 0.314 253 F C -0.658 174.968 175.800 -0.291 0.000 1.075 253 F CA -0.740 57.181 58.000 -0.132 0.000 0.945 253 F CB 2.149 41.152 39.000 0.005 0.000 1.310 253 F HN 0.323 nan 8.300 nan 0.000 0.467 254 Y N 0.136 120.551 120.300 0.193 0.000 2.509 254 Y HA 0.649 5.203 4.550 0.007 0.000 0.341 254 Y C 0.158 176.134 175.900 0.127 0.000 1.038 254 Y CA -0.727 57.441 58.100 0.113 0.000 1.089 254 Y CB 2.410 40.896 38.460 0.042 0.000 1.241 254 Y HN 0.500 nan 8.280 nan 0.000 0.468 255 T N 2.700 117.400 114.554 0.244 0.000 2.889 255 T HA 0.536 4.890 4.350 0.006 0.000 0.315 255 T C -1.777 172.996 174.700 0.121 0.000 1.291 255 T CA -0.699 61.490 62.100 0.148 0.000 1.028 255 T CB 0.705 69.626 68.868 0.087 0.000 1.235 255 T HN 0.528 nan 8.240 nan 0.000 0.491 256 L N 3.269 124.547 121.223 0.091 0.000 2.276 256 L HA 0.633 4.977 4.340 0.006 0.000 0.286 256 L C 0.205 177.137 176.870 0.103 0.000 1.061 256 L CA -0.678 54.213 54.840 0.084 0.000 0.807 256 L CB 1.649 43.745 42.059 0.061 0.000 1.177 256 L HN 0.607 nan 8.230 nan 0.000 0.429 257 S N 4.876 120.649 115.700 0.121 0.000 2.707 257 S HA 0.506 4.980 4.470 0.006 0.000 0.312 257 S C -0.439 174.247 174.600 0.142 0.000 1.116 257 S CA -0.729 57.603 58.200 0.220 0.000 1.078 257 S CB 0.583 63.922 63.200 0.232 0.000 0.997 257 S HN 0.467 nan 8.310 nan 0.000 0.477 258 L N 5.636 126.895 121.223 0.061 0.000 2.490 258 L HA 0.162 4.506 4.340 0.006 0.000 0.274 258 L C 1.640 178.506 176.870 -0.006 0.000 1.201 258 L CA -0.164 54.665 54.840 -0.018 0.000 0.869 258 L CB 0.383 42.361 42.059 -0.135 0.000 1.123 258 L HN 0.764 nan 8.230 nan 0.000 0.484 259 K N 2.073 122.487 120.400 0.023 0.000 2.032 259 K HA -0.213 4.111 4.320 0.006 0.000 0.209 259 K C 1.747 178.359 176.600 0.019 0.000 1.048 259 K CA 1.199 57.504 56.287 0.030 0.000 0.927 259 K CB -0.186 32.328 32.500 0.022 0.000 0.712 259 K HN 0.467 nan 8.250 nan 0.000 0.441 260 L N 1.829 123.052 121.223 0.001 0.000 2.083 260 L HA -0.144 4.200 4.340 0.006 0.000 0.209 260 L C 2.170 179.026 176.870 -0.024 0.000 1.083 260 L CA 1.792 56.636 54.840 0.006 0.000 0.752 260 L CB -0.269 41.795 42.059 0.008 0.000 0.899 260 L HN 0.030 nan 8.230 nan 0.000 0.433 261 K N -0.957 119.320 120.400 -0.205 0.000 2.062 261 K HA -0.060 4.264 4.320 0.006 0.000 0.205 261 K C 0.011 176.380 176.600 -0.385 0.000 1.051 261 K CA 1.075 57.061 56.287 -0.501 0.000 0.941 261 K CB -0.054 31.770 32.500 -1.126 0.000 0.719 261 K HN 0.330 nan 8.250 nan 0.000 0.440 262 F N 1.417 121.443 119.950 0.126 0.000 2.531 262 F HA 0.290 4.820 4.527 0.006 0.000 0.333 262 F C -1.936 173.927 175.800 0.104 0.000 1.292 262 F CA -1.921 56.199 58.000 0.199 0.000 1.184 262 F CB 1.700 40.761 39.000 0.100 0.000 1.426 262 F HN 0.021 nan 8.300 nan 0.000 0.559 263 P HA -0.119 nan 4.420 nan 0.000 0.245 263 P C 0.780 178.133 177.300 0.089 0.000 1.212 263 P CA 1.027 64.186 63.100 0.099 0.000 0.774 263 P CB -0.138 31.593 31.700 0.051 0.000 0.999 264 H N -0.633 118.361 119.070 -0.127 0.000 2.551 264 H HA 0.124 4.684 4.556 0.006 0.000 0.271 264 H C 0.595 175.891 175.328 -0.054 0.000 0.984 264 H CA -0.297 55.679 56.048 -0.119 0.000 1.164 264 H CB -1.410 28.231 29.762 -0.202 0.000 1.437 264 H HN -0.102 nan 8.280 nan 0.000 0.550 265 V N 0.960 120.680 119.914 -0.324 0.000 2.617 265 V HA 0.309 4.433 4.120 0.006 0.000 0.304 265 V C 0.087 176.111 176.094 -0.116 0.000 1.040 265 V CA -0.427 61.715 62.300 -0.264 0.000 1.149 265 V CB 0.482 32.201 31.823 -0.172 0.000 0.914 265 V HN 0.196 nan 8.190 nan 0.000 0.487 266 R N 2.561 123.005 120.500 -0.094 0.000 2.604 266 R HA 0.475 4.819 4.340 0.006 0.000 0.281 266 R C -0.335 175.946 176.300 -0.033 0.000 1.020 266 R CA -0.598 55.474 56.100 -0.045 0.000 0.899 266 R CB 1.969 32.252 30.300 -0.028 0.000 1.205 266 R HN 0.864 nan 8.270 nan 0.000 0.450 267 T N 0.682 115.226 114.554 -0.018 0.000 2.940 267 T HA 0.276 4.630 4.350 0.006 0.000 0.309 267 T C 1.280 175.975 174.700 -0.008 0.000 1.056 267 T CA 1.358 63.453 62.100 -0.008 0.000 1.137 267 T CB 0.609 69.479 68.868 0.004 0.000 0.976 267 T HN 0.805 nan 8.240 nan 0.000 0.547 268 G N 2.172 110.967 108.800 -0.009 0.000 2.199 268 G HA2 -0.200 3.764 3.960 0.006 0.000 0.254 268 G HA3 -0.200 3.764 3.960 0.006 0.000 0.254 268 G C 0.010 174.902 174.900 -0.012 0.000 0.982 268 G CA -0.234 44.860 45.100 -0.011 0.000 0.632 268 G HN 0.650 nan 8.290 nan 0.000 0.529 269 E N 0.019 120.212 120.200 -0.011 0.000 2.242 269 E HA 0.564 4.917 4.350 0.006 0.000 0.275 269 E C 0.045 176.648 176.600 0.006 0.000 1.002 269 E CA -0.631 55.769 56.400 0.000 0.000 0.841 269 E CB 2.265 31.965 29.700 0.001 0.000 1.109 269 E HN 0.139 nan 8.360 nan 0.000 0.394 270 V N 2.522 122.457 119.914 0.035 0.000 2.439 270 V HA 0.294 4.418 4.120 0.006 0.000 0.282 270 V C 0.288 176.492 176.094 0.182 0.000 1.039 270 V CA -0.541 61.789 62.300 0.051 0.000 0.913 270 V CB 1.323 33.129 31.823 -0.029 0.000 0.983 270 V HN 0.500 nan 8.190 nan 0.000 0.460 271 V N 3.117 123.110 119.914 0.131 0.000 3.102 271 V HA 0.735 4.859 4.120 0.006 0.000 0.312 271 V C -0.524 175.644 176.094 0.124 0.000 1.135 271 V CA -1.170 61.207 62.300 0.129 0.000 1.022 271 V CB 2.071 33.868 31.823 -0.043 0.000 1.056 271 V HN 0.869 nan 8.190 nan 0.000 0.436 272 R N 2.140 122.659 120.500 0.032 0.000 2.387 272 R HA 0.683 5.026 4.340 0.006 0.000 0.314 272 R C -1.410 174.852 176.300 -0.065 0.000 0.958 272 R CA -0.725 55.373 56.100 -0.004 0.000 0.846 272 R CB 1.376 31.658 30.300 -0.030 0.000 1.147 272 R HN 0.890 nan 8.270 nan 0.000 0.447 273 I N 4.573 125.112 120.570 -0.052 0.000 2.312 273 I HA 0.259 4.433 4.170 0.006 0.000 0.290 273 I C 0.077 176.172 176.117 -0.037 0.000 1.008 273 I CA -0.901 60.350 61.300 -0.082 0.000 1.226 273 I CB 1.347 39.289 38.000 -0.096 0.000 1.371 273 I HN 0.404 nan 8.210 nan 0.000 0.468 274 R N 5.853 126.336 120.500 -0.029 0.000 2.210 274 R HA 0.312 4.656 4.340 0.006 0.000 0.338 274 R C -0.226 176.080 176.300 0.010 0.000 1.062 274 R CA 0.127 56.236 56.100 0.016 0.000 0.902 274 R CB 0.136 30.464 30.300 0.047 0.000 1.050 274 R HN 0.701 nan 8.270 nan 0.000 0.461 275 S N 2.217 117.910 115.700 -0.013 0.000 3.392 275 S HA 0.041 4.515 4.470 0.006 0.000 0.693 275 S C -1.197 173.292 174.600 -0.185 0.000 0.620 275 S CA 0.323 58.494 58.200 -0.048 0.000 1.452 275 S CB -1.285 61.984 63.200 0.115 0.000 0.988 275 S HN 1.134 nan 8.310 nan 0.000 0.932 276 A N 4.144 126.705 122.820 -0.433 0.000 2.556 276 A HA 0.984 5.308 4.320 0.006 0.000 0.294 276 A C -0.041 177.016 177.584 -0.879 0.000 1.091 276 A CA 0.049 51.761 52.037 -0.541 0.000 0.704 276 A CB 1.834 20.536 19.000 -0.496 0.000 1.300 276 A HN 1.933 nan 8.150 nan 0.000 0.406 277 T N -1.796 112.483 114.554 -0.459 0.000 2.906 277 T HA 0.586 4.939 4.350 0.006 0.000 0.295 277 T C -0.823 173.957 174.700 0.132 0.000 1.061 277 T CA -0.445 61.545 62.100 -0.185 0.000 1.000 277 T CB 1.174 70.031 68.868 -0.018 0.000 1.103 277 T HN 0.851 nan 8.240 nan 0.000 0.486 278 Y N 1.859 122.341 120.300 0.303 0.000 2.402 278 Y HA 0.377 4.931 4.550 0.006 0.000 0.333 278 Y C 0.097 176.126 175.900 0.215 0.000 1.076 278 Y CA -0.324 57.966 58.100 0.317 0.000 1.299 278 Y CB 0.715 39.366 38.460 0.317 0.000 1.197 278 Y HN 0.788 nan 8.280 nan 0.000 0.517 279 D N 5.202 125.486 120.400 -0.194 0.000 2.365 279 D HA 0.082 4.725 4.640 0.006 0.000 0.237 279 D C 0.361 176.581 176.300 -0.133 0.000 1.190 279 D CA 0.110 54.050 54.000 -0.101 0.000 0.867 279 D CB 0.853 41.605 40.800 -0.079 0.000 1.050 279 D HN 0.773 nan 8.370 nan 0.000 0.491 280 E N 1.118 121.388 120.200 0.115 0.000 2.347 280 E HA -0.090 4.264 4.350 0.006 0.000 0.196 280 E C 1.512 178.170 176.600 0.096 0.000 1.008 280 E CA 0.851 57.367 56.400 0.195 0.000 0.852 280 E CB 0.260 30.090 29.700 0.216 0.000 0.783 280 E HN 0.605 nan 8.360 nan 0.000 0.505 281 T N -2.314 112.268 114.554 0.047 0.000 3.113 281 T HA 0.079 4.432 4.350 0.006 0.000 0.256 281 T C 1.085 175.791 174.700 0.009 0.000 1.131 281 T CA -0.153 61.965 62.100 0.030 0.000 1.074 281 T CB 0.313 69.195 68.868 0.024 0.000 0.944 281 T HN -0.214 nan 8.240 nan 0.000 0.516 282 S N 1.813 117.503 115.700 -0.016 0.000 2.411 282 S HA 0.331 4.804 4.470 0.006 0.000 0.304 282 S C 1.193 175.781 174.600 -0.020 0.000 1.098 282 S CA -0.375 57.807 58.200 -0.031 0.000 1.068 282 S CB 0.861 64.024 63.200 -0.062 0.000 1.032 282 S HN 0.564 nan 8.310 nan 0.000 0.511 283 T N 2.867 117.419 114.554 -0.004 0.000 3.031 283 T HA 0.004 4.358 4.350 0.006 0.000 0.254 283 T C 1.617 176.315 174.700 -0.004 0.000 1.060 283 T CA 0.615 62.720 62.100 0.008 0.000 1.135 283 T CB 0.008 68.885 68.868 0.014 0.000 0.896 283 T HN 0.388 nan 8.240 nan 0.000 0.472 284 Q N 1.297 121.088 119.800 -0.015 0.000 2.172 284 Q HA 0.103 4.447 4.340 0.006 0.000 0.200 284 Q C 0.688 176.670 176.000 -0.030 0.000 0.964 284 Q CA 1.034 56.824 55.803 -0.021 0.000 0.855 284 Q CB 0.042 28.765 28.738 -0.027 0.000 0.918 284 Q HN 0.740 nan 8.270 nan 0.000 0.444 285 K N -1.091 119.284 120.400 -0.042 0.000 2.556 285 K HA 0.401 4.725 4.320 0.006 0.000 0.274 285 K C -0.830 175.722 176.600 -0.079 0.000 0.966 285 K CA -0.952 55.315 56.287 -0.034 0.000 0.865 285 K CB 1.393 33.875 32.500 -0.030 0.000 1.444 285 K HN -0.398 nan 8.250 nan 0.000 0.433 286 K N 1.730 122.021 120.400 -0.181 0.000 2.349 286 K HA 0.258 4.582 4.320 0.006 0.000 0.289 286 K C -0.567 175.893 176.600 -0.233 0.000 1.064 286 K CA -0.401 55.572 56.287 -0.524 0.000 0.947 286 K CB 0.998 32.714 32.500 -1.305 0.000 1.007 286 K HN 0.450 nan 8.250 nan 0.000 0.478 287 V N 4.865 124.776 119.914 -0.005 0.000 2.680 287 V HA 0.435 4.559 4.120 0.006 0.000 0.309 287 V C 0.009 176.272 176.094 0.282 0.000 1.052 287 V CA -0.998 61.428 62.300 0.209 0.000 0.908 287 V CB 2.082 33.953 31.823 0.081 0.000 1.001 287 V HN 0.545 nan 8.190 nan 0.000 0.431 288 L N 4.840 126.227 121.223 0.274 0.000 2.317 288 L HA 0.608 4.952 4.340 0.006 0.000 0.281 288 L C -0.627 176.271 176.870 0.045 0.000 1.024 288 L CA -0.453 54.461 54.840 0.123 0.000 0.810 288 L CB 1.805 43.894 42.059 0.050 0.000 1.240 288 L HN 0.470 nan 8.230 nan 0.000 0.427 289 I N 3.953 124.519 120.570 -0.007 0.000 2.392 289 I HA 0.385 4.559 4.170 0.006 0.000 0.295 289 I C -0.357 175.714 176.117 -0.076 0.000 0.985 289 I CA -0.365 60.919 61.300 -0.026 0.000 1.221 289 I CB 1.446 39.435 38.000 -0.019 0.000 1.366 289 I HN 0.354 nan 8.210 nan 0.000 0.467 290 L N 4.729 125.914 121.223 -0.063 0.000 2.342 290 L HA 0.552 4.896 4.340 0.006 0.000 0.271 290 L C -0.079 176.712 176.870 -0.131 0.000 1.008 290 L CA -0.456 54.330 54.840 -0.091 0.000 0.818 290 L CB 2.007 44.055 42.059 -0.019 0.000 1.296 290 L HN 0.554 nan 8.230 nan 0.000 0.427 291 S N -1.784 113.762 115.700 -0.256 0.000 2.747 291 S HA 0.212 4.685 4.470 0.006 0.000 0.300 291 S C 0.824 175.244 174.600 -0.300 0.000 1.121 291 S CA -0.535 57.437 58.200 -0.379 0.000 0.995 291 S CB 1.145 63.811 63.200 -0.891 0.000 1.113 291 S HN 0.835 nan 8.310 nan 0.000 0.547 292 H N -0.284 118.553 119.070 -0.389 0.000 2.518 292 H HA -0.083 4.477 4.556 0.007 0.000 0.289 292 H C 1.212 176.528 175.328 -0.020 0.000 1.051 292 H CA 1.699 57.650 56.048 -0.162 0.000 1.280 292 H CB -0.438 29.311 29.762 -0.022 0.000 1.380 292 H HN 0.739 nan 8.280 nan 0.000 0.566 293 Y N -0.515 119.598 120.300 -0.311 0.000 2.449 293 Y HA 0.455 5.009 4.550 0.007 0.000 0.254 293 Y C 0.520 176.410 175.900 -0.015 0.000 1.140 293 Y CA -0.974 56.969 58.100 -0.261 0.000 1.272 293 Y CB -0.281 37.676 38.460 -0.838 0.000 1.114 293 Y HN -0.009 nan 8.280 nan 0.000 0.525 294 S N 2.051 117.704 115.700 -0.077 0.000 2.576 294 S HA 0.146 4.620 4.470 0.006 0.000 0.272 294 S C -0.275 174.475 174.600 0.250 0.000 1.352 294 S CA -0.252 57.984 58.200 0.060 0.000 1.021 294 S CB 0.341 63.509 63.200 -0.054 0.000 0.887 294 S HN 0.554 nan 8.310 nan 0.000 0.542 295 N N 0.370 119.171 118.700 0.168 0.000 2.264 295 N HA 0.443 5.187 4.740 0.006 0.000 0.288 295 N C -1.674 173.743 175.510 -0.156 0.000 1.094 295 N CA -0.490 52.679 53.050 0.198 0.000 0.817 295 N CB 0.979 39.648 38.487 0.304 0.000 1.604 295 N HN 0.480 nan 8.380 nan 0.000 0.473 296 I N 3.326 123.602 120.570 -0.491 0.000 2.339 296 I HA 0.459 4.633 4.170 0.006 0.000 0.290 296 I C -0.394 175.698 176.117 -0.041 0.000 0.994 296 I CA -0.581 60.441 61.300 -0.462 0.000 1.191 296 I CB 1.032 38.478 38.000 -0.923 0.000 1.343 296 I HN 0.364 nan 8.210 nan 0.000 0.458 297 I N 5.404 125.944 120.570 -0.050 0.000 2.465 297 I HA 0.351 4.525 4.170 0.006 0.000 0.291 297 I C 0.474 176.503 176.117 -0.148 0.000 1.014 297 I CA -0.468 60.817 61.300 -0.026 0.000 1.093 297 I CB 2.286 40.202 38.000 -0.140 0.000 1.267 297 I HN 0.562 nan 8.210 nan 0.000 0.431 298 T N 1.335 115.855 114.554 -0.057 0.000 2.884 298 T HA 0.644 4.998 4.350 0.006 0.000 0.277 298 T C -0.497 174.042 174.700 -0.269 0.000 0.976 298 T CA -0.495 61.575 62.100 -0.050 0.000 0.956 298 T CB 1.092 70.023 68.868 0.105 0.000 1.113 298 T HN 0.161 nan 8.240 nan 0.000 0.554 299 F N 0.087 120.049 119.950 0.020 0.000 2.538 299 F HA 0.547 5.077 4.527 0.006 0.000 0.325 299 F C 0.631 176.388 175.800 -0.071 0.000 1.066 299 F CA -1.692 56.306 58.000 -0.004 0.000 0.946 299 F CB 1.256 40.285 39.000 0.047 0.000 1.199 299 F HN 0.626 nan 8.300 nan 0.000 0.473 300 I N 0.080 120.639 120.570 -0.018 0.000 2.836 300 I HA 0.094 4.268 4.170 0.006 0.000 0.285 300 I C 1.462 177.566 176.117 -0.022 0.000 1.174 300 I CA -0.617 60.624 61.300 -0.098 0.000 1.405 300 I CB 0.511 38.347 38.000 -0.273 0.000 1.385 300 I HN 0.638 nan 8.210 nan 0.000 0.594 301 Q N 3.200 122.988 119.800 -0.020 0.000 2.156 301 Q HA -0.254 4.090 4.340 0.006 0.000 0.211 301 Q C 2.038 178.040 176.000 0.003 0.000 0.995 301 Q CA 2.900 58.702 55.803 -0.003 0.000 0.877 301 Q CB -0.225 28.508 28.738 -0.009 0.000 0.920 301 Q HN 0.991 nan 8.270 nan 0.000 0.416 302 S N -0.724 114.974 115.700 -0.003 0.000 2.603 302 S HA 0.023 4.497 4.470 0.006 0.000 0.229 302 S C 0.961 175.602 174.600 0.068 0.000 0.972 302 S CA 0.405 58.618 58.200 0.023 0.000 0.935 302 S CB -0.118 63.099 63.200 0.028 0.000 0.769 302 S HN 0.249 nan 8.310 nan 0.000 0.536 303 S N 1.707 117.467 115.700 0.100 0.000 2.546 303 S HA 0.090 4.564 4.470 0.006 0.000 0.290 303 S C 1.082 175.685 174.600 0.006 0.000 1.262 303 S CA -0.345 57.955 58.200 0.167 0.000 1.083 303 S CB 0.643 63.959 63.200 0.194 0.000 0.859 303 S HN 0.629 nan 8.310 nan 0.000 0.495 304 K N 3.878 124.263 120.400 -0.025 0.000 2.062 304 K HA -0.070 4.254 4.320 0.006 0.000 0.205 304 K C 1.906 178.425 176.600 -0.135 0.000 1.051 304 K CA 1.059 57.296 56.287 -0.083 0.000 0.941 304 K CB -0.239 32.202 32.500 -0.099 0.000 0.719 304 K HN 0.642 nan 8.250 nan 0.000 0.440 305 L N 1.364 122.467 121.223 -0.201 0.000 1.994 305 L HA -0.091 4.252 4.340 0.006 0.000 0.208 305 L C 2.270 178.927 176.870 -0.354 0.000 1.071 305 L CA 2.199 56.868 54.840 -0.285 0.000 0.745 305 L CB -0.846 40.979 42.059 -0.391 0.000 0.892 305 L HN 0.236 nan 8.230 nan 0.000 0.431 306 A N -0.719 121.806 122.820 -0.492 0.000 1.940 306 A HA -0.287 4.037 4.320 0.006 0.000 0.219 306 A C 2.456 179.936 177.584 -0.173 0.000 1.176 306 A CA 2.118 53.929 52.037 -0.377 0.000 0.631 306 A CB -0.638 18.192 19.000 -0.283 0.000 0.814 306 A HN 0.545 nan 8.150 nan 0.000 0.446 307 K N -0.216 120.105 120.400 -0.131 0.000 2.001 307 K HA -0.159 4.165 4.320 0.006 0.000 0.208 307 K C 1.915 178.466 176.600 -0.081 0.000 1.048 307 K CA 1.580 57.818 56.287 -0.082 0.000 0.932 307 K CB -0.216 32.246 32.500 -0.063 0.000 0.715 307 K HN 0.591 nan 8.250 nan 0.000 0.437 308 E N 0.309 120.453 120.200 -0.093 0.000 2.110 308 E HA -0.197 4.156 4.350 0.006 0.000 0.193 308 E C 1.941 178.496 176.600 -0.075 0.000 0.988 308 E CA 0.975 57.329 56.400 -0.076 0.000 0.804 308 E CB 0.016 29.670 29.700 -0.075 0.000 0.745 308 E HN 0.166 nan 8.360 nan 0.000 0.458 309 L N 0.547 121.711 121.223 -0.099 0.000 2.179 309 L HA -0.066 4.278 4.340 0.006 0.000 0.208 309 L C 2.150 178.979 176.870 -0.068 0.000 1.096 309 L CA 1.355 56.143 54.840 -0.086 0.000 0.779 309 L CB -0.266 41.721 42.059 -0.120 0.000 0.922 309 L HN -0.033 nan 8.230 nan 0.000 0.443 310 R N -0.991 119.467 120.500 -0.069 0.000 2.152 310 R HA -0.093 4.251 4.340 0.006 0.000 0.232 310 R C 2.005 178.279 176.300 -0.042 0.000 1.117 310 R CA 1.205 57.275 56.100 -0.049 0.000 0.981 310 R CB -0.274 30.000 30.300 -0.043 0.000 0.870 310 R HN 0.379 nan 8.270 nan 0.000 0.451 311 A N 0.570 123.364 122.820 -0.044 0.000 1.973 311 A HA -0.024 4.299 4.320 0.006 0.000 0.210 311 A C 1.950 179.511 177.584 -0.038 0.000 1.200 311 A CA 0.402 52.415 52.037 -0.039 0.000 0.707 311 A CB 0.002 18.979 19.000 -0.037 0.000 0.862 311 A HN 0.114 nan 8.150 nan 0.000 0.461 312 K N -0.076 120.301 120.400 -0.039 0.000 2.031 312 K HA 0.051 4.375 4.320 0.006 0.000 0.205 312 K C -0.025 176.556 176.600 -0.032 0.000 1.049 312 K CA 0.686 56.953 56.287 -0.034 0.000 0.939 312 K CB -0.196 32.285 32.500 -0.032 0.000 0.717 312 K HN 0.444 nan 8.250 nan 0.000 0.438 313 I N 3.202 123.751 120.570 -0.034 0.000 2.421 313 I HA 0.009 4.183 4.170 0.006 0.000 0.291 313 I C -0.089 176.004 176.117 -0.039 0.000 1.089 313 I CA -0.293 60.988 61.300 -0.032 0.000 1.354 313 I CB 0.979 38.961 38.000 -0.030 0.000 1.413 313 I HN 0.244 nan 8.210 nan 0.000 0.513 314 Q N 4.713 124.486 119.800 -0.044 0.000 2.235 314 Q HA 0.249 4.593 4.340 0.006 0.000 0.256 314 Q C -0.444 175.509 176.000 -0.079 0.000 0.951 314 Q CA -0.759 55.008 55.803 -0.060 0.000 0.890 314 Q CB 1.621 30.320 28.738 -0.065 0.000 1.279 314 Q HN 0.453 nan 8.270 nan 0.000 0.444 315 D N 1.418 121.756 120.400 -0.102 0.000 2.548 315 D HA -0.097 4.547 4.640 0.006 0.000 0.231 315 D C -0.807 175.371 176.300 -0.203 0.000 1.142 315 D CA 0.837 54.753 54.000 -0.139 0.000 0.866 315 D CB 0.689 41.382 40.800 -0.178 0.000 1.190 315 D HN 0.325 nan 8.370 nan 0.000 0.469 316 D N 1.499 121.815 120.400 -0.140 0.000 2.498 316 D HA 0.166 4.810 4.640 0.006 0.000 0.247 316 D C -0.297 176.033 176.300 0.049 0.000 1.070 316 D CA -0.413 53.533 54.000 -0.091 0.000 0.842 316 D CB 0.682 41.469 40.800 -0.023 0.000 1.361 316 D HN 0.526 nan 8.370 nan 0.000 0.484 317 H N 0.804 119.895 119.070 0.034 0.000 2.923 317 H HA 0.049 4.609 4.556 0.006 0.000 0.268 317 H C 1.872 177.258 175.328 0.097 0.000 1.148 317 H CA 0.127 56.227 56.048 0.086 0.000 1.146 317 H CB 0.998 30.800 29.762 0.066 0.000 1.607 317 H HN 0.374 nan 8.280 nan 0.000 0.566 318 S N 0.415 116.213 115.700 0.163 0.000 2.374 318 S HA -0.173 4.301 4.470 0.006 0.000 0.227 318 S C 2.092 176.756 174.600 0.107 0.000 1.037 318 S CA 1.437 59.703 58.200 0.110 0.000 1.024 318 S CB -0.828 62.409 63.200 0.062 0.000 0.861 318 S HN 0.144 nan 8.310 nan 0.000 0.456 319 V N 2.128 122.110 119.914 0.113 0.000 2.343 319 V HA -0.165 3.959 4.120 0.006 0.000 0.247 319 V C 2.828 178.972 176.094 0.084 0.000 1.051 319 V CA 2.330 64.693 62.300 0.105 0.000 1.036 319 V CB -1.111 30.806 31.823 0.158 0.000 0.654 319 V HN 0.447 nan 8.190 nan 0.000 0.451 320 E N 0.184 120.448 120.200 0.107 0.000 2.031 320 E HA -0.156 4.198 4.350 0.006 0.000 0.193 320 E C 2.199 178.812 176.600 0.020 0.000 0.994 320 E CA 1.415 57.829 56.400 0.023 0.000 0.800 320 E CB -0.667 29.062 29.700 0.048 0.000 0.752 320 E HN 0.367 nan 8.360 nan 0.000 0.447 321 V N 1.224 121.227 119.914 0.149 0.000 2.282 321 V HA -0.338 3.786 4.120 0.006 0.000 0.249 321 V C 2.237 178.367 176.094 0.060 0.000 1.057 321 V CA 2.035 64.417 62.300 0.137 0.000 1.032 321 V CB -0.960 30.959 31.823 0.159 0.000 0.645 321 V HN 0.381 nan 8.190 nan 0.000 0.447 322 A N 0.580 123.430 122.820 0.051 0.000 1.933 322 A HA -0.201 4.122 4.320 0.006 0.000 0.218 322 A C 2.528 180.116 177.584 0.007 0.000 1.175 322 A CA 2.216 54.270 52.037 0.029 0.000 0.628 322 A CB -0.715 18.304 19.000 0.031 0.000 0.814 322 A HN 0.715 nan 8.150 nan 0.000 0.444 323 S N 0.040 115.734 115.700 -0.011 0.000 2.423 323 S HA -0.027 4.447 4.470 0.006 0.000 0.231 323 S C 1.696 176.268 174.600 -0.048 0.000 1.014 323 S CA 1.201 59.380 58.200 -0.036 0.000 0.965 323 S CB -0.700 62.461 63.200 -0.066 0.000 0.785 323 S HN 0.453 nan 8.310 nan 0.000 0.495 324 L N 0.466 121.655 121.223 -0.057 0.000 2.456 324 L HA 0.071 4.414 4.340 0.006 0.000 0.224 324 L C 2.308 179.165 176.870 -0.022 0.000 1.148 324 L CA 0.940 55.745 54.840 -0.058 0.000 0.825 324 L CB -0.391 41.631 42.059 -0.063 0.000 0.937 324 L HN 0.333 nan 8.230 nan 0.000 0.450 325 K N -0.735 119.660 120.400 -0.009 0.000 2.379 325 K HA 0.073 4.397 4.320 0.006 0.000 0.194 325 K C 0.375 176.974 176.600 -0.001 0.000 1.031 325 K CA 0.132 56.419 56.287 0.001 0.000 1.037 325 K CB 0.405 32.910 32.500 0.008 0.000 0.824 325 K HN 0.031 nan 8.250 nan 0.000 0.516 326 K N 0.854 121.251 120.400 -0.005 0.000 2.098 326 K HA 0.173 4.497 4.320 0.006 0.000 0.258 326 K C 0.327 176.927 176.600 0.001 0.000 0.973 326 K CA -0.133 56.154 56.287 -0.001 0.000 0.898 326 K CB 1.042 33.542 32.500 -0.001 0.000 1.057 326 K HN 0.037 nan 8.250 nan 0.000 0.447 327 N N -0.313 118.390 118.700 0.005 0.000 2.331 327 N HA -0.057 4.687 4.740 0.006 0.000 0.180 327 N C -0.282 175.240 175.510 0.021 0.000 1.019 327 N CA 0.495 53.550 53.050 0.009 0.000 0.881 327 N CB 0.415 38.904 38.487 0.004 0.000 0.972 327 N HN 0.076 nan 8.380 nan 0.000 0.435 328 V N 0.652 120.581 119.914 0.026 0.000 2.488 328 V HA 0.171 4.295 4.120 0.006 0.000 0.293 328 V C -0.723 175.410 176.094 0.064 0.000 1.027 328 V CA -0.757 61.578 62.300 0.058 0.000 0.862 328 V CB 1.567 33.403 31.823 0.021 0.000 1.008 328 V HN -0.057 nan 8.190 nan 0.000 0.428 329 S N 5.096 120.852 115.700 0.092 0.000 2.433 329 S HA 0.534 5.008 4.470 0.006 0.000 0.310 329 S C 0.623 175.259 174.600 0.060 0.000 1.097 329 S CA -0.631 57.586 58.200 0.028 0.000 1.103 329 S CB 0.950 64.120 63.200 -0.050 0.000 0.992 329 S HN 0.656 nan 8.310 nan 0.000 0.469 330 L N 3.680 124.920 121.223 0.028 0.000 2.599 330 L HA 0.177 4.521 4.340 0.006 0.000 0.230 330 L C -0.199 176.597 176.870 -0.123 0.000 1.141 330 L CA 0.134 54.990 54.840 0.027 0.000 0.877 330 L CB -0.511 41.551 42.059 0.005 0.000 1.009 330 L HN 0.561 nan 8.230 nan 0.000 0.447 331 N N 0.651 119.244 118.700 -0.178 0.000 2.408 331 N HA 0.429 5.173 4.740 0.006 0.000 0.280 331 N C -0.085 175.247 175.510 -0.295 0.000 1.002 331 N CA -0.204 52.667 53.050 -0.299 0.000 0.907 331 N CB 1.499 39.858 38.487 -0.214 0.000 1.161 331 N HN 0.004 nan 8.380 nan 0.000 0.488 332 A N 1.619 124.213 122.820 -0.378 0.000 2.445 332 A HA 0.441 4.765 4.320 0.006 0.000 0.242 332 A C -0.324 177.113 177.584 -0.244 0.000 1.075 332 A CA -0.202 51.617 52.037 -0.364 0.000 0.777 332 A CB 0.310 18.840 19.000 -0.784 0.000 1.013 332 A HN 0.477 nan 8.150 nan 0.000 0.493 333 V N 3.418 123.226 119.914 -0.177 0.000 2.447 333 V HA 0.222 4.346 4.120 0.006 0.000 0.292 333 V C -0.306 175.709 176.094 -0.131 0.000 1.021 333 V CA -0.562 61.616 62.300 -0.203 0.000 0.850 333 V CB 1.538 33.154 31.823 -0.346 0.000 1.005 333 V HN 0.615 nan 8.190 nan 0.000 0.426 334 V N 6.739 126.612 119.914 -0.069 0.000 2.352 334 V HA 0.158 4.281 4.120 0.006 0.000 0.253 334 V C 1.291 177.400 176.094 0.025 0.000 1.083 334 V CA 0.069 62.367 62.300 -0.003 0.000 0.993 334 V CB 0.637 32.471 31.823 0.018 0.000 1.111 334 V HN 0.787 nan 8.190 nan 0.000 0.490 335 L N 3.715 124.922 121.223 -0.025 0.000 2.465 335 L HA 0.023 4.367 4.340 0.006 0.000 0.224 335 L C 1.296 178.215 176.870 0.082 0.000 1.145 335 L CA 0.826 55.699 54.840 0.055 0.000 0.834 335 L CB -0.485 41.549 42.059 -0.042 0.000 0.944 335 L HN 0.846 nan 8.230 nan 0.000 0.451 336 T N -2.900 111.656 114.554 0.003 0.000 2.907 336 T HA 0.564 4.918 4.350 0.006 0.000 0.290 336 T C -0.711 173.973 174.700 -0.026 0.000 1.066 336 T CA -0.825 61.242 62.100 -0.055 0.000 1.012 336 T CB 2.749 71.579 68.868 -0.064 0.000 1.184 336 T HN 0.162 nan 8.240 nan 0.000 0.522 337 E N 0.698 120.877 120.200 -0.035 0.000 2.290 337 E HA 0.541 4.895 4.350 0.006 0.000 0.274 337 E C -0.807 175.801 176.600 0.014 0.000 0.889 337 E CA -1.182 55.215 56.400 -0.005 0.000 0.760 337 E CB 2.291 31.986 29.700 -0.008 0.000 1.206 337 E HN 0.783 nan 8.360 nan 0.000 0.419 338 V N 0.879 120.816 119.914 0.038 0.000 2.785 338 V HA 0.331 4.455 4.120 0.006 0.000 0.300 338 V C 0.518 176.664 176.094 0.087 0.000 1.062 338 V CA -0.769 61.578 62.300 0.077 0.000 1.029 338 V CB 1.418 33.296 31.823 0.092 0.000 1.024 338 V HN 0.883 nan 8.190 nan 0.000 0.477 339 D N 2.410 122.885 120.400 0.127 0.000 2.506 339 D HA -0.046 4.598 4.640 0.006 0.000 0.234 339 D C 1.379 177.699 176.300 0.033 0.000 1.143 339 D CA 0.541 54.586 54.000 0.074 0.000 0.871 339 D CB 1.201 42.047 40.800 0.077 0.000 1.190 339 D HN 0.883 nan 8.370 nan 0.000 0.459 340 K N 3.553 123.951 120.400 -0.004 0.000 2.127 340 K HA -0.268 4.056 4.320 0.006 0.000 0.208 340 K C 1.719 178.287 176.600 -0.053 0.000 1.047 340 K CA 1.856 58.132 56.287 -0.019 0.000 0.927 340 K CB -0.308 32.177 32.500 -0.025 0.000 0.716 340 K HN 0.441 nan 8.250 nan 0.000 0.450 341 K N 0.001 120.321 120.400 -0.134 0.000 2.280 341 K HA -0.129 4.195 4.320 0.006 0.000 0.202 341 K C 1.149 177.600 176.600 -0.249 0.000 1.047 341 K CA 1.345 57.498 56.287 -0.223 0.000 0.942 341 K CB -0.149 32.151 32.500 -0.334 0.000 0.739 341 K HN 0.354 nan 8.250 nan 0.000 0.457 342 H N -0.091 118.980 119.070 0.001 0.000 2.586 342 H HA 0.295 4.855 4.556 0.006 0.000 0.273 342 H C 1.847 177.175 175.328 0.001 0.000 0.997 342 H CA 0.476 56.525 56.048 0.001 0.000 1.177 342 H CB 0.544 30.311 29.762 0.009 0.000 1.471 342 H HN 0.371 nan 8.280 nan 0.000 0.538 343 A N 1.141 124.014 122.820 0.088 0.000 2.084 343 A HA -0.093 4.231 4.320 0.006 0.000 0.221 343 A C 2.320 179.929 177.584 0.041 0.000 1.161 343 A CA 1.600 53.669 52.037 0.053 0.000 0.653 343 A CB -0.352 18.664 19.000 0.026 0.000 0.802 343 A HN 0.366 nan 8.150 nan 0.000 0.457 344 A N -1.649 121.194 122.820 0.039 0.000 2.308 344 A HA 0.497 4.821 4.320 0.006 0.000 0.217 344 A C 0.559 178.164 177.584 0.035 0.000 1.216 344 A CA -0.248 51.805 52.037 0.027 0.000 0.864 344 A CB -0.231 18.777 19.000 0.013 0.000 0.902 344 A HN 0.444 nan 8.150 nan 0.000 0.499 345 L N 2.379 123.638 121.223 0.059 0.000 2.319 345 L HA 0.373 4.717 4.340 0.006 0.000 0.280 345 L C -2.084 174.807 176.870 0.034 0.000 1.099 345 L CA -1.987 52.884 54.840 0.052 0.000 0.828 345 L CB 0.471 42.577 42.059 0.079 0.000 1.150 345 L HN 0.067 nan 8.230 nan 0.000 0.442 346 P HA 0.114 nan 4.420 nan 0.000 0.271 346 P C -0.878 176.442 177.300 0.033 0.000 1.218 346 P CA -0.322 62.792 63.100 0.024 0.000 0.780 346 P CB 0.811 32.525 31.700 0.023 0.000 0.901 347 S N 0.825 116.539 115.700 0.023 0.000 2.562 347 S HA 0.394 4.868 4.470 0.006 0.000 0.275 347 S C 0.101 174.716 174.600 0.024 0.000 1.281 347 S CA -0.163 58.050 58.200 0.021 0.000 1.045 347 S CB 0.377 63.577 63.200 0.001 0.000 0.962 347 S HN 0.438 nan 8.310 nan 0.000 0.503 348 T N 2.428 116.995 114.554 0.022 0.000 2.792 348 T HA 0.423 4.777 4.350 0.006 0.000 0.280 348 T C 0.330 174.996 174.700 -0.058 0.000 0.990 348 T CA -0.747 61.346 62.100 -0.011 0.000 0.960 348 T CB 1.294 70.154 68.868 -0.013 0.000 0.939 348 T HN 0.675 nan 8.240 nan 0.000 0.439 349 S N 3.160 118.831 115.700 -0.050 0.000 2.589 349 S HA 0.269 4.743 4.470 0.006 0.000 0.265 349 S C 1.515 176.062 174.600 -0.088 0.000 1.342 349 S CA -0.754 57.418 58.200 -0.046 0.000 1.005 349 S CB 0.233 63.414 63.200 -0.032 0.000 0.909 349 S HN 0.621 nan 8.310 nan 0.000 0.555 350 L N 0.433 121.610 121.223 -0.077 0.000 2.083 350 L HA -0.118 4.226 4.340 0.006 0.000 0.209 350 L C 3.017 179.818 176.870 -0.115 0.000 1.083 350 L CA 1.505 56.269 54.840 -0.125 0.000 0.752 350 L CB -0.745 41.153 42.059 -0.270 0.000 0.899 350 L HN 0.795 nan 8.230 nan 0.000 0.433 351 Q N 0.618 120.382 119.800 -0.059 0.000 2.077 351 Q HA -0.253 4.091 4.340 0.006 0.000 0.206 351 Q C 1.722 177.791 176.000 0.115 0.000 0.989 351 Q CA 2.103 57.940 55.803 0.058 0.000 0.853 351 Q CB -0.134 28.624 28.738 0.033 0.000 0.907 351 Q HN 0.403 nan 8.270 nan 0.000 0.418 352 D N -0.913 119.535 120.400 0.080 0.000 2.194 352 D HA -0.082 4.561 4.640 0.006 0.000 0.204 352 D C 1.649 177.894 176.300 -0.092 0.000 0.964 352 D CA 0.462 54.531 54.000 0.115 0.000 0.846 352 D CB 0.007 40.835 40.800 0.046 0.000 0.962 352 D HN 0.216 nan 8.370 nan 0.000 0.490 353 L N -0.597 120.465 121.223 -0.269 0.000 2.141 353 L HA -0.052 4.291 4.340 0.006 0.000 0.209 353 L C 1.547 178.036 176.870 -0.635 0.000 1.094 353 L CA 1.426 55.900 54.840 -0.609 0.000 0.763 353 L CB -0.307 41.182 42.059 -0.950 0.000 0.908 353 L HN -0.029 nan 8.230 nan 0.000 0.437 354 F N -3.328 116.447 119.950 -0.291 0.000 2.724 354 F HA 0.162 4.693 4.527 0.006 0.000 0.306 354 F C 1.988 177.482 175.800 -0.510 0.000 1.100 354 F CA 0.049 57.846 58.000 -0.339 0.000 1.255 354 F CB 0.118 38.874 39.000 -0.408 0.000 1.072 354 F HN 0.118 nan 8.300 nan 0.000 0.589 355 H N -2.410 116.585 119.070 -0.125 0.000 3.046 355 H HA 0.274 4.834 4.556 0.006 0.000 0.262 355 H C 0.744 175.756 175.328 -0.528 0.000 1.044 355 H CA 0.547 56.397 56.048 -0.330 0.000 1.209 355 H CB 0.590 30.063 29.762 -0.481 0.000 1.507 355 H HN 0.281 nan 8.280 nan 0.000 0.507 356 H N -0.874 118.231 119.070 0.057 0.000 3.535 356 H HA 0.325 4.885 4.556 0.006 0.000 0.260 356 H C 1.845 177.155 175.328 -0.030 0.000 1.173 356 H CA 0.507 56.564 56.048 0.015 0.000 1.168 356 H CB 0.565 30.334 29.762 0.012 0.000 1.568 356 H HN 0.201 nan 8.280 nan 0.000 0.602 357 A N 0.666 123.484 122.820 -0.003 0.000 2.178 357 A HA -0.121 4.203 4.320 0.006 0.000 0.218 357 A C 1.279 178.850 177.584 -0.022 0.000 1.157 357 A CA 1.521 53.527 52.037 -0.052 0.000 0.689 357 A CB -0.048 18.861 19.000 -0.152 0.000 0.787 357 A HN 0.137 nan 8.150 nan 0.000 0.465 358 D N -1.478 118.912 120.400 -0.016 0.000 2.431 358 D HA 0.103 4.747 4.640 0.006 0.000 0.213 358 D C 1.069 177.379 176.300 0.015 0.000 1.130 358 D CA 0.972 54.963 54.000 -0.016 0.000 0.834 358 D CB 0.541 41.313 40.800 -0.046 0.000 0.985 358 D HN 0.535 nan 8.370 nan 0.000 0.504 359 S N -1.071 114.658 115.700 0.048 0.000 2.679 359 S HA 0.070 4.544 4.470 0.006 0.000 0.258 359 S C 0.301 174.934 174.600 0.055 0.000 1.068 359 S CA -0.493 57.742 58.200 0.058 0.000 1.115 359 S CB 1.143 64.396 63.200 0.090 0.000 1.078 359 S HN -0.047 nan 8.310 nan 0.000 0.603 360 D N 2.323 122.760 120.400 0.061 0.000 2.232 360 D HA 0.333 4.977 4.640 0.006 0.000 0.242 360 D C 0.957 177.281 176.300 0.040 0.000 1.093 360 D CA -0.413 53.612 54.000 0.040 0.000 0.845 360 D CB 1.379 42.203 40.800 0.040 0.000 1.124 360 D HN 0.075 nan 8.370 nan 0.000 0.467 361 K N 2.709 123.126 120.400 0.027 0.000 2.020 361 K HA -0.256 4.068 4.320 0.006 0.000 0.212 361 K C 1.169 177.791 176.600 0.037 0.000 1.050 361 K CA 1.481 57.784 56.287 0.026 0.000 0.929 361 K CB 0.133 32.642 32.500 0.016 0.000 0.714 361 K HN 0.364 nan 8.250 nan 0.000 0.443 362 E N 0.714 120.937 120.200 0.038 0.000 2.110 362 E HA -0.095 4.258 4.350 0.006 0.000 0.193 362 E C 1.912 178.570 176.600 0.096 0.000 0.988 362 E CA 1.019 57.449 56.400 0.050 0.000 0.804 362 E CB -0.047 29.678 29.700 0.041 0.000 0.745 362 E HN 0.337 nan 8.360 nan 0.000 0.458 363 L N 0.109 121.404 121.223 0.120 0.000 2.217 363 L HA -0.145 4.199 4.340 0.006 0.000 0.211 363 L C 2.226 179.235 176.870 0.232 0.000 1.107 363 L CA 0.933 55.902 54.840 0.215 0.000 0.783 363 L CB -0.240 41.891 42.059 0.121 0.000 0.919 363 L HN 0.170 nan 8.230 nan 0.000 0.442 364 Q N -0.290 119.585 119.800 0.124 0.000 2.230 364 Q HA -0.088 4.256 4.340 0.006 0.000 0.202 364 Q C 2.312 178.360 176.000 0.080 0.000 0.963 364 Q CA 1.207 57.066 55.803 0.093 0.000 0.866 364 Q CB -0.092 28.674 28.738 0.047 0.000 0.931 364 Q HN 0.521 nan 8.270 nan 0.000 0.452 365 A N 0.278 123.136 122.820 0.063 0.000 2.119 365 A HA -0.056 4.268 4.320 0.006 0.000 0.216 365 A C 0.767 178.342 177.584 -0.015 0.000 1.152 365 A CA 0.579 52.628 52.037 0.021 0.000 0.708 365 A CB 0.231 19.237 19.000 0.010 0.000 0.805 365 A HN 0.128 nan 8.150 nan 0.000 0.460 366 Q N 0.121 119.912 119.800 -0.014 0.000 2.235 366 Q HA 0.299 4.643 4.340 0.006 0.000 0.256 366 Q C -0.343 175.516 176.000 -0.235 0.000 0.951 366 Q CA -0.063 55.585 55.803 -0.258 0.000 0.890 366 Q CB 1.531 29.897 28.738 -0.621 0.000 1.279 366 Q HN 0.616 nan 8.270 nan 0.000 0.444 367 D N -0.861 119.350 120.400 -0.315 0.000 2.473 367 D HA 0.033 4.677 4.640 0.006 0.000 0.230 367 D C -0.356 175.864 176.300 -0.133 0.000 1.097 367 D CA 0.127 54.080 54.000 -0.079 0.000 0.861 367 D CB 0.656 41.434 40.800 -0.037 0.000 1.114 367 D HN 0.252 nan 8.370 nan 0.000 0.500 368 T N 0.879 115.169 114.554 -0.439 0.000 2.779 368 T HA 0.539 4.893 4.350 0.006 0.000 0.280 368 T C -0.969 173.376 174.700 -0.591 0.000 0.987 368 T CA -0.375 61.545 62.100 -0.301 0.000 0.966 368 T CB 0.932 69.696 68.868 -0.173 0.000 0.933 368 T HN -0.092 nan 8.240 nan 0.000 0.442 369 F N 0.946 120.871 119.950 -0.042 0.000 2.640 369 F HA 0.702 5.233 4.527 0.006 0.000 0.324 369 F C 0.268 176.002 175.800 -0.110 0.000 1.077 369 F CA -1.421 56.535 58.000 -0.073 0.000 0.965 369 F CB 1.737 40.680 39.000 -0.094 0.000 1.351 369 F HN 0.258 nan 8.300 nan 0.000 0.487 370 R N 0.284 120.853 120.500 0.116 0.000 2.621 370 R HA 0.752 5.095 4.340 0.006 0.000 0.292 370 R C -1.324 174.995 176.300 0.032 0.000 0.969 370 R CA -0.213 55.904 56.100 0.028 0.000 0.887 370 R CB 2.095 32.396 30.300 0.002 0.000 1.180 370 R HN 0.864 nan 8.270 nan 0.000 0.450 371 T N 1.727 116.290 114.554 0.015 0.000 2.769 371 T HA 0.379 4.733 4.350 0.006 0.000 0.306 371 T C -1.816 172.864 174.700 -0.034 0.000 1.400 371 T CA -0.594 61.516 62.100 0.017 0.000 1.007 371 T CB 1.815 70.714 68.868 0.051 0.000 1.392 371 T HN 0.535 nan 8.240 nan 0.000 0.500 372 Q N 0.959 120.748 119.800 -0.019 0.000 2.394 372 Q HA 0.853 5.197 4.340 0.006 0.000 0.273 372 Q C -1.177 174.842 176.000 0.032 0.000 1.089 372 Q CA -0.533 55.196 55.803 -0.123 0.000 0.812 372 Q CB 1.955 30.654 28.738 -0.065 0.000 1.353 372 Q HN 0.642 nan 8.270 nan 0.000 0.438 373 F N -1.539 118.497 119.950 0.143 0.000 2.858 373 F HA 0.649 5.180 4.527 0.007 0.000 0.319 373 F C -1.920 174.029 175.800 0.247 0.000 1.166 373 F CA -1.734 56.361 58.000 0.158 0.000 0.899 373 F CB 0.670 39.662 39.000 -0.013 0.000 1.332 373 F HN 0.479 nan 8.300 nan 0.000 0.461 374 Y N -0.176 120.384 120.300 0.433 0.000 2.393 374 Y HA 0.808 5.362 4.550 0.006 0.000 0.341 374 Y C -1.210 174.777 175.900 0.146 0.000 0.988 374 Y CA -1.972 56.182 58.100 0.091 0.000 1.078 374 Y CB 1.278 39.559 38.460 -0.297 0.000 1.203 374 Y HN 0.567 nan 8.280 nan 0.000 0.453 375 V N 3.707 123.711 119.914 0.150 0.000 2.508 375 V HA 0.073 4.197 4.120 0.006 0.000 0.281 375 V C 1.004 177.155 176.094 0.095 0.000 1.041 375 V CA 0.663 62.980 62.300 0.028 0.000 1.016 375 V CB 0.789 32.562 31.823 -0.085 0.000 0.984 375 V HN 1.121 nan 8.190 nan 0.000 0.478 376 T N 1.445 116.025 114.554 0.045 0.000 3.039 376 T HA 0.188 4.541 4.350 0.006 0.000 0.250 376 T C 0.512 175.268 174.700 0.092 0.000 1.052 376 T CA 0.208 62.365 62.100 0.096 0.000 1.125 376 T CB 0.341 69.236 68.868 0.045 0.000 0.908 376 T HN 0.527 nan 8.240 nan 0.000 0.473 377 K N -0.041 120.412 120.400 0.088 0.000 2.562 377 K HA 0.596 4.920 4.320 0.006 0.000 0.267 377 K C -2.123 174.587 176.600 0.184 0.000 0.938 377 K CA -0.930 55.430 56.287 0.121 0.000 0.840 377 K CB 2.051 34.598 32.500 0.079 0.000 1.390 377 K HN 0.201 nan 8.250 nan 0.000 0.428 378 I N 2.635 123.349 120.570 0.240 0.000 2.433 378 I HA 0.347 4.521 4.170 0.006 0.000 0.292 378 I C -0.590 175.650 176.117 0.204 0.000 1.001 378 I CA -0.690 60.782 61.300 0.287 0.000 1.119 378 I CB 2.034 40.307 38.000 0.455 0.000 1.289 378 I HN 0.546 nan 8.210 nan 0.000 0.438 379 E N 7.018 127.263 120.200 0.075 0.000 2.238 379 E HA 0.422 4.776 4.350 0.006 0.000 0.267 379 E C -2.501 174.106 176.600 0.012 0.000 0.887 379 E CA -1.903 54.543 56.400 0.075 0.000 0.769 379 E CB 2.327 32.048 29.700 0.035 0.000 1.187 379 E HN 0.309 nan 8.360 nan 0.000 0.416 380 P HA 0.021 nan 4.420 nan 0.000 0.272 380 P C 0.140 177.601 177.300 0.269 0.000 1.230 380 P CA -0.076 63.130 63.100 0.176 0.000 0.788 380 P CB 1.066 32.861 31.700 0.160 0.000 0.949 381 S N -0.463 115.339 115.700 0.171 0.000 2.359 381 S HA -0.137 4.337 4.470 0.006 0.000 0.224 381 S C 0.891 175.561 174.600 0.115 0.000 1.035 381 S CA 1.264 59.554 58.200 0.150 0.000 1.018 381 S CB -0.760 62.492 63.200 0.087 0.000 0.876 381 S HN 0.642 nan 8.310 nan 0.000 0.448 382 D N 1.509 121.952 120.400 0.071 0.000 2.346 382 D HA 0.123 4.767 4.640 0.006 0.000 0.260 382 D C 0.988 177.198 176.300 -0.150 0.000 1.252 382 D CA -0.041 53.943 54.000 -0.027 0.000 0.895 382 D CB 1.086 41.885 40.800 -0.001 0.000 1.097 382 D HN -0.079 nan 8.370 nan 0.000 0.489 383 V N 5.262 124.921 119.914 -0.426 0.000 2.469 383 V HA -0.253 3.871 4.120 0.006 0.000 0.251 383 V C 2.289 177.957 176.094 -0.710 0.000 1.064 383 V CA 1.604 63.251 62.300 -1.087 0.000 1.066 383 V CB -0.403 30.785 31.823 -1.059 0.000 0.667 383 V HN 0.603 nan 8.190 nan 0.000 0.461 384 K N -0.213 119.935 120.400 -0.420 0.000 2.280 384 K HA -0.131 4.193 4.320 0.006 0.000 0.202 384 K C 1.680 178.078 176.600 -0.337 0.000 1.047 384 K CA 0.869 56.890 56.287 -0.444 0.000 0.942 384 K CB -0.069 32.126 32.500 -0.509 0.000 0.739 384 K HN 0.429 nan 8.250 nan 0.000 0.457 385 E N -0.676 119.472 120.200 -0.087 0.000 2.479 385 E HA -0.053 4.301 4.350 0.006 0.000 0.193 385 E C 1.048 177.766 176.600 0.197 0.000 1.049 385 E CA 0.142 56.590 56.400 0.080 0.000 0.870 385 E CB 0.097 29.868 29.700 0.119 0.000 0.944 385 E HN 0.344 nan 8.360 nan 0.000 0.492 386 W N 0.948 122.216 121.300 -0.053 0.000 2.374 386 W HA -0.071 4.592 4.660 0.006 0.000 0.288 386 W C 0.781 177.287 176.519 -0.021 0.000 1.218 386 W CA 0.462 57.814 57.345 0.011 0.000 1.245 386 W CB -0.240 29.262 29.460 0.070 0.000 1.126 386 W HN -0.271 nan 8.180 nan 0.000 0.545 387 V N 2.563 122.526 119.914 0.082 0.000 2.347 387 V HA 0.251 4.375 4.120 0.006 0.000 0.280 387 V C 0.296 176.351 176.094 -0.065 0.000 1.021 387 V CA -0.948 61.267 62.300 -0.142 0.000 0.847 387 V CB 1.091 32.730 31.823 -0.308 0.000 0.990 387 V HN -0.276 nan 8.190 nan 0.000 0.444 388 K N 2.530 122.889 120.400 -0.069 0.000 2.258 388 K HA 0.659 4.982 4.320 0.006 0.000 0.236 388 K C 0.207 176.803 176.600 -0.008 0.000 1.008 388 K CA -0.548 55.726 56.287 -0.021 0.000 0.869 388 K CB 2.210 34.690 32.500 -0.033 0.000 1.171 388 K HN 0.750 nan 8.250 nan 0.000 0.447 389 G N 0.420 109.236 108.800 0.026 0.000 2.348 389 G HA2 0.364 4.327 3.960 0.006 0.000 0.312 389 G HA3 0.364 4.327 3.960 0.006 0.000 0.312 389 G C -1.502 173.465 174.900 0.113 0.000 1.126 389 G CA -0.038 45.090 45.100 0.047 0.000 0.865 389 G HN 0.377 nan 8.290 nan 0.000 0.474 390 Y N 1.721 121.999 120.300 -0.037 0.000 2.376 390 Y HA 0.429 4.983 4.550 0.006 0.000 0.340 390 Y C -0.862 175.027 175.900 -0.019 0.000 0.965 390 Y CA -1.649 56.432 58.100 -0.032 0.000 1.078 390 Y CB 2.332 40.773 38.460 -0.032 0.000 1.193 390 Y HN 0.454 nan 8.280 nan 0.000 0.452 391 D N 5.712 125.793 120.400 -0.532 0.000 2.443 391 D HA 0.222 4.865 4.640 0.006 0.000 0.221 391 D C 0.418 176.237 176.300 -0.801 0.000 1.097 391 D CA -0.239 53.479 54.000 -0.471 0.000 0.865 391 D CB 0.825 41.468 40.800 -0.261 0.000 1.034 391 D HN 0.812 nan 8.370 nan 0.000 0.511 392 R N 2.371 122.507 120.500 -0.606 0.000 2.341 392 R HA -0.054 4.290 4.340 0.006 0.000 0.213 392 R C 1.486 177.653 176.300 -0.222 0.000 1.082 392 R CA 0.834 56.682 56.100 -0.421 0.000 1.017 392 R CB 0.527 30.760 30.300 -0.111 0.000 0.860 392 R HN 0.343 nan 8.270 nan 0.000 0.473 393 K N -0.504 119.775 120.400 -0.202 0.000 2.168 393 K HA -0.004 4.320 4.320 0.006 0.000 0.201 393 K C 1.849 178.388 176.600 -0.102 0.000 1.049 393 K CA 1.474 57.694 56.287 -0.112 0.000 0.974 393 K CB 0.329 32.778 32.500 -0.084 0.000 0.792 393 K HN 0.165 nan 8.250 nan 0.000 0.463 394 T N -1.033 113.441 114.554 -0.134 0.000 3.107 394 T HA 0.110 4.464 4.350 0.006 0.000 0.249 394 T C 0.240 174.892 174.700 -0.080 0.000 1.096 394 T CA -0.234 61.813 62.100 -0.089 0.000 1.012 394 T CB 0.109 68.930 68.868 -0.078 0.000 0.977 394 T HN -0.048 nan 8.240 nan 0.000 0.527 395 K N 0.853 121.162 120.400 -0.152 0.000 3.096 395 K HA -0.138 4.186 4.320 0.006 0.000 0.266 395 K C -0.601 176.051 176.600 0.087 0.000 1.043 395 K CA 0.849 57.122 56.287 -0.024 0.000 0.758 395 K CB -1.999 30.553 32.500 0.088 0.000 1.260 395 K HN 0.604 nan 8.250 nan 0.000 0.481 396 K N 0.368 120.746 120.400 -0.037 0.000 2.375 396 K HA 0.445 4.768 4.320 0.006 0.000 0.249 396 K C 0.155 176.824 176.600 0.115 0.000 0.942 396 K CA -0.576 55.747 56.287 0.060 0.000 0.806 396 K CB 1.976 34.477 32.500 0.002 0.000 1.227 396 K HN 0.214 nan 8.250 nan 0.000 0.430 397 S N 0.010 115.798 115.700 0.147 0.000 2.664 397 S HA 0.768 5.242 4.470 0.006 0.000 0.304 397 S C -0.523 174.105 174.600 0.046 0.000 1.099 397 S CA -0.638 57.642 58.200 0.134 0.000 1.003 397 S CB 1.585 64.830 63.200 0.075 0.000 1.092 397 S HN 0.624 nan 8.310 nan 0.000 0.525 398 S N -0.093 115.626 115.700 0.033 0.000 2.588 398 S HA 0.621 5.095 4.470 0.006 0.000 0.269 398 S C -0.485 174.125 174.600 0.017 0.000 1.157 398 S CA -0.807 57.402 58.200 0.015 0.000 0.824 398 S CB 0.899 64.102 63.200 0.005 0.000 1.126 398 S HN 1.114 nan 8.310 nan 0.000 0.464 399 S N -0.114 115.595 115.700 0.015 0.000 2.568 399 S HA 0.275 4.749 4.470 0.006 0.000 0.282 399 S C 0.475 175.080 174.600 0.009 0.000 1.338 399 S CA -0.622 57.596 58.200 0.030 0.000 1.045 399 S CB -0.404 62.801 63.200 0.008 0.000 0.873 399 S HN 0.630 nan 8.310 nan 0.000 0.516 400 L N 4.133 125.388 121.223 0.054 0.000 2.653 400 L HA 0.259 4.603 4.340 0.006 0.000 0.231 400 L C 2.072 178.855 176.870 -0.144 0.000 1.153 400 L CA 0.051 54.910 54.840 0.032 0.000 0.933 400 L CB -0.209 41.934 42.059 0.140 0.000 1.175 400 L HN 0.730 nan 8.230 nan 0.000 0.473 401 K N 0.668 120.820 120.400 -0.413 0.000 2.439 401 K HA -0.048 4.276 4.320 0.006 0.000 0.197 401 K C 1.693 178.129 176.600 -0.272 0.000 1.041 401 K CA 0.902 56.795 56.287 -0.655 0.000 0.970 401 K CB 0.144 32.291 32.500 -0.589 0.000 0.773 401 K HN 0.355 nan 8.250 nan 0.000 0.479 402 G N -0.502 108.202 108.800 -0.160 0.000 3.020 402 G HA2 0.421 4.385 3.960 0.006 0.000 0.217 402 G HA3 0.421 4.385 3.960 0.006 0.000 0.217 402 G C -0.154 174.708 174.900 -0.064 0.000 1.144 402 G CA 0.352 45.396 45.100 -0.093 0.000 0.760 402 G HN 0.443 nan 8.290 nan 0.000 0.548 403 A N -0.494 122.292 122.820 -0.058 0.000 5.986 403 A HA 0.086 4.410 4.320 0.006 0.000 0.304 403 A C 1.819 179.395 177.584 -0.015 0.000 2.253 403 A CA 0.748 52.769 52.037 -0.027 0.000 0.638 403 A CB -1.616 17.369 19.000 -0.024 0.000 1.540 403 A HN 1.563 nan 8.150 nan 0.000 0.371 404 S N -0.644 115.052 115.700 -0.008 0.000 2.481 404 S HA 0.008 4.482 4.470 0.006 0.000 0.253 404 S C 1.726 176.320 174.600 -0.009 0.000 0.998 404 S CA 2.142 60.339 58.200 -0.005 0.000 0.972 404 S CB -1.035 62.163 63.200 -0.004 0.000 0.751 404 S HN 2.467 nan 8.310 nan 0.000 0.515 405 G N 0.757 109.549 108.800 -0.014 0.000 3.302 405 G HA2 0.148 4.112 3.960 0.006 0.000 0.220 405 G HA3 0.148 4.112 3.960 0.006 0.000 0.220 405 G C 0.954 175.843 174.900 -0.018 0.000 1.297 405 G CA -0.172 44.917 45.100 -0.017 0.000 1.213 405 G HN 0.435 nan 8.290 nan 0.000 0.508 406 K N -0.618 119.774 120.400 -0.013 0.000 2.502 406 K HA 0.316 4.640 4.320 0.006 0.000 0.211 406 K C 1.122 177.714 176.600 -0.013 0.000 1.259 406 K CA 0.512 56.791 56.287 -0.012 0.000 0.983 406 K CB 1.490 33.989 32.500 -0.001 0.000 1.054 406 K HN 0.473 nan 8.250 nan 0.000 0.572 407 G N 1.648 110.443 108.800 -0.009 0.000 2.384 407 G HA2 -0.160 3.804 3.960 0.006 0.000 0.204 407 G HA3 -0.160 3.804 3.960 0.006 0.000 0.204 407 G C -1.656 173.255 174.900 0.019 0.000 1.237 407 G CA -0.806 44.290 45.100 -0.008 0.000 1.060 407 G HN 0.019 nan 8.290 nan 0.000 0.514 408 D N 1.582 122.007 120.400 0.042 0.000 2.455 408 D HA 0.207 4.850 4.640 0.006 0.000 0.241 408 D C 0.354 176.693 176.300 0.065 0.000 1.138 408 D CA 0.151 54.188 54.000 0.063 0.000 0.877 408 D CB 0.297 41.157 40.800 0.100 0.000 1.187 408 D HN 0.350 nan 8.370 nan 0.000 0.451 409 N N 1.933 120.645 118.700 0.020 0.000 2.497 409 N HA 0.321 5.065 4.740 0.006 0.000 0.271 409 N C 0.192 175.667 175.510 -0.058 0.000 1.142 409 N CA -0.082 52.950 53.050 -0.030 0.000 0.965 409 N CB 1.216 39.665 38.487 -0.064 0.000 1.077 409 N HN 0.440 nan 8.380 nan 0.000 0.462 410 I N -2.455 118.053 120.570 -0.104 0.000 2.994 410 I HA 0.554 4.728 4.170 0.006 0.000 0.306 410 I C -1.140 174.866 176.117 -0.185 0.000 1.195 410 I CA -1.103 60.127 61.300 -0.117 0.000 1.001 410 I CB 1.526 39.464 38.000 -0.103 0.000 1.244 410 I HN 0.058 nan 8.210 nan 0.000 0.437 411 F N 1.749 121.690 119.950 -0.014 0.000 2.410 411 F HA 0.419 4.950 4.527 0.007 0.000 0.348 411 F C 0.659 176.355 175.800 -0.174 0.000 1.106 411 F CA 0.136 58.131 58.000 -0.008 0.000 1.163 411 F CB 1.273 40.338 39.000 0.109 0.000 1.129 411 F HN 0.521 nan 8.300 nan 0.000 0.516 412 Q N 3.755 123.519 119.800 -0.060 0.000 3.300 412 Q HA 0.348 4.692 4.340 0.006 0.000 0.271 412 Q C -1.707 174.142 176.000 -0.251 0.000 0.926 412 Q CA -0.251 55.277 55.803 -0.458 0.000 0.788 412 Q CB 1.217 29.594 28.738 -0.601 0.000 1.385 412 Q HN 0.468 nan 8.270 nan 0.000 0.424 413 V N 2.033 121.838 119.914 -0.181 0.000 2.427 413 V HA 0.319 4.443 4.120 0.006 0.000 0.286 413 V C -0.220 175.636 176.094 -0.396 0.000 1.034 413 V CA -0.532 61.488 62.300 -0.467 0.000 0.893 413 V CB 1.695 32.984 31.823 -0.891 0.000 0.982 413 V HN 0.520 nan 8.190 nan 0.000 0.452 414 Q N 4.235 123.818 119.800 -0.362 0.000 2.413 414 Q HA 0.462 4.806 4.340 0.006 0.000 0.258 414 Q C -1.374 174.488 176.000 -0.230 0.000 1.037 414 Q CA -0.375 55.283 55.803 -0.243 0.000 0.764 414 Q CB 0.813 29.500 28.738 -0.085 0.000 1.217 414 Q HN 0.685 nan 8.270 nan 0.000 0.490 415 F N 3.215 123.083 119.950 -0.137 0.000 2.427 415 F HA 0.242 4.773 4.527 0.007 0.000 0.352 415 F C -0.181 175.520 175.800 -0.165 0.000 1.100 415 F CA -0.918 56.998 58.000 -0.140 0.000 1.191 415 F CB 0.809 39.711 39.000 -0.163 0.000 1.128 415 F HN 0.395 nan 8.300 nan 0.000 0.533 416 L N 5.568 126.839 121.223 0.080 0.000 2.277 416 L HA 0.407 4.751 4.340 0.006 0.000 0.284 416 L C 0.009 176.802 176.870 -0.128 0.000 1.028 416 L CA -0.405 54.399 54.840 -0.060 0.000 0.835 416 L CB 0.953 42.986 42.059 -0.043 0.000 1.215 416 L HN 0.410 nan 8.230 nan 0.000 0.425 417 V N 1.207 120.969 119.914 -0.253 0.000 3.204 417 V HA 0.828 4.952 4.120 0.006 0.000 0.316 417 V C -0.453 175.459 176.094 -0.302 0.000 1.160 417 V CA -0.754 61.337 62.300 -0.349 0.000 1.044 417 V CB 2.257 33.652 31.823 -0.713 0.000 1.136 417 V HN 0.708 nan 8.190 nan 0.000 0.455 418 K N -0.174 119.958 120.400 -0.446 0.000 2.607 418 K HA 0.560 4.884 4.320 0.006 0.000 0.287 418 K C -2.140 174.248 176.600 -0.354 0.000 0.996 418 K CA -0.171 55.900 56.287 -0.359 0.000 0.876 418 K CB 2.178 34.396 32.500 -0.470 0.000 1.496 418 K HN 1.193 nan 8.250 nan 0.000 0.415 419 D N 0.084 120.479 120.400 -0.010 0.000 2.812 419 D HA 0.326 4.970 4.640 0.006 0.000 0.318 419 D C 0.386 176.818 176.300 0.221 0.000 1.234 419 D CA -0.150 53.969 54.000 0.198 0.000 0.989 419 D CB 0.533 41.420 40.800 0.146 0.000 1.442 419 D HN 0.445 nan 8.370 nan 0.000 0.537 420 A N 0.106 123.020 122.820 0.157 0.000 1.902 420 A HA -0.101 4.223 4.320 0.006 0.000 0.217 420 A C 2.015 179.608 177.584 0.015 0.000 1.181 420 A CA 2.947 55.025 52.037 0.067 0.000 0.623 420 A CB -1.215 17.763 19.000 -0.036 0.000 0.818 420 A HN 0.742 nan 8.150 nan 0.000 0.443 421 S N -0.759 114.940 115.700 -0.002 0.000 2.474 421 S HA -0.074 4.400 4.470 0.006 0.000 0.235 421 S C 1.318 175.915 174.600 -0.004 0.000 0.997 421 S CA 1.628 59.811 58.200 -0.028 0.000 0.949 421 S CB -0.746 62.436 63.200 -0.031 0.000 0.766 421 S HN 0.855 nan 8.310 nan 0.000 0.517 422 T N -2.839 111.740 114.554 0.042 0.000 3.200 422 T HA 0.362 4.715 4.350 0.006 0.000 0.284 422 T C 1.111 175.881 174.700 0.118 0.000 1.009 422 T CA -0.165 61.990 62.100 0.091 0.000 0.907 422 T CB 0.384 69.365 68.868 0.189 0.000 1.120 422 T HN 0.158 nan 8.240 nan 0.000 0.534 423 Q N 1.623 121.489 119.800 0.110 0.000 2.112 423 Q HA 0.038 4.382 4.340 0.006 0.000 0.206 423 Q C 1.759 177.826 176.000 0.111 0.000 0.987 423 Q CA 1.818 57.710 55.803 0.148 0.000 0.858 423 Q CB -0.639 28.180 28.738 0.135 0.000 0.905 423 Q HN 0.705 nan 8.270 nan 0.000 0.420 424 L N 0.465 121.730 121.223 0.070 0.000 2.375 424 L HA 0.068 4.412 4.340 0.006 0.000 0.215 424 L C 0.637 177.530 176.870 0.039 0.000 1.108 424 L CA 0.026 54.897 54.840 0.052 0.000 0.830 424 L CB -0.705 41.376 42.059 0.037 0.000 0.959 424 L HN 0.264 nan 8.230 nan 0.000 0.457 425 N N -0.384 118.340 118.700 0.039 0.000 2.326 425 N HA -0.143 4.601 4.740 0.006 0.000 0.239 425 N C 0.224 175.740 175.510 0.011 0.000 1.301 425 N CA -0.058 53.005 53.050 0.023 0.000 0.909 425 N CB 0.024 38.531 38.487 0.033 0.000 1.156 425 N HN -0.000 nan 8.380 nan 0.000 0.462 426 N N -0.220 118.473 118.700 -0.012 0.000 2.389 426 N HA 0.034 4.778 4.740 0.006 0.000 0.237 426 N C -1.021 174.435 175.510 -0.090 0.000 1.148 426 N CA -0.305 52.724 53.050 -0.035 0.000 0.854 426 N CB -0.310 38.160 38.487 -0.029 0.000 1.115 426 N HN 0.425 nan 8.380 nan 0.000 0.492 427 N N -0.454 118.166 118.700 -0.134 0.000 2.402 427 N HA 0.285 5.029 4.740 0.006 0.000 0.294 427 N C -1.034 174.205 175.510 -0.452 0.000 1.203 427 N CA -0.162 52.681 53.050 -0.346 0.000 0.838 427 N CB 1.990 40.164 38.487 -0.521 0.000 1.306 427 N HN -0.071 nan 8.380 nan 0.000 0.510 428 T N 0.477 114.630 114.554 -0.669 0.000 2.971 428 T HA 0.560 4.913 4.350 0.006 0.000 0.304 428 T C -1.676 172.546 174.700 -0.797 0.000 1.038 428 T CA -0.440 61.338 62.100 -0.536 0.000 1.007 428 T CB 0.089 68.790 68.868 -0.277 0.000 1.055 428 T HN 0.257 nan 8.240 nan 0.000 0.451 429 Y N 2.355 122.381 120.300 -0.457 0.000 2.387 429 Y HA 0.617 5.171 4.550 0.007 0.000 0.336 429 Y C 0.986 176.600 175.900 -0.476 0.000 1.067 429 Y CA -1.195 56.478 58.100 -0.710 0.000 1.114 429 Y CB 1.147 38.741 38.460 -1.442 0.000 1.208 429 Y HN 0.354 nan 8.280 nan 0.000 0.458 430 R N 1.695 122.087 120.500 -0.180 0.000 2.265 430 R HA 0.572 4.916 4.340 0.006 0.000 0.314 430 R C -1.354 175.010 176.300 0.106 0.000 1.053 430 R CA -0.606 55.481 56.100 -0.022 0.000 0.931 430 R CB 0.965 31.285 30.300 0.034 0.000 1.024 430 R HN 0.406 nan 8.270 nan 0.000 0.457 431 V N 5.809 125.732 119.914 0.015 0.000 2.443 431 V HA 0.315 4.439 4.120 0.006 0.000 0.293 431 V C -0.025 176.038 176.094 -0.051 0.000 1.021 431 V CA -0.757 61.566 62.300 0.038 0.000 0.848 431 V CB 1.667 33.431 31.823 -0.098 0.000 0.998 431 V HN 0.593 nan 8.190 nan 0.000 0.424 432 L N 4.997 126.142 121.223 -0.131 0.000 2.357 432 L HA 0.545 4.889 4.340 0.006 0.000 0.273 432 L C -0.335 176.386 176.870 -0.248 0.000 1.080 432 L CA -0.584 54.056 54.840 -0.333 0.000 0.803 432 L CB 1.386 42.995 42.059 -0.750 0.000 1.174 432 L HN 0.493 nan 8.230 nan 0.000 0.443 433 L N 3.226 124.332 121.223 -0.193 0.000 2.556 433 L HA 0.370 4.714 4.340 0.006 0.000 0.243 433 L C -1.287 175.685 176.870 0.170 0.000 1.331 433 L CA -0.070 54.675 54.840 -0.158 0.000 0.927 433 L CB 0.003 41.785 42.059 -0.462 0.000 1.219 433 L HN 0.238 nan 8.230 nan 0.000 0.490 434 Y N 0.700 120.916 120.300 -0.141 0.000 2.434 434 Y HA 0.355 4.909 4.550 0.006 0.000 0.341 434 Y C 1.633 177.492 175.900 -0.068 0.000 0.965 434 Y CA -0.857 57.177 58.100 -0.111 0.000 1.205 434 Y CB 1.012 39.382 38.460 -0.150 0.000 1.121 434 Y HN 0.524 nan 8.280 nan 0.000 0.507 435 T N -1.841 112.778 114.554 0.110 0.000 3.144 435 T HA -0.069 4.285 4.350 0.006 0.000 0.249 435 T C 1.482 176.198 174.700 0.028 0.000 1.089 435 T CA -0.098 62.063 62.100 0.103 0.000 0.989 435 T CB 0.133 69.133 68.868 0.221 0.000 0.992 435 T HN 0.553 nan 8.240 nan 0.000 0.540 436 Q N 1.907 121.649 119.800 -0.097 0.000 2.248 436 Q HA -0.194 4.150 4.340 0.006 0.000 0.208 436 Q C 0.457 176.441 176.000 -0.026 0.000 0.984 436 Q CA 1.743 57.435 55.803 -0.185 0.000 0.875 436 Q CB -0.547 27.778 28.738 -0.688 0.000 0.910 436 Q HN 0.510 nan 8.270 nan 0.000 0.433 437 D N -0.442 119.961 120.400 0.004 0.000 2.395 437 D HA 0.245 4.889 4.640 0.006 0.000 0.213 437 D C 0.742 177.076 176.300 0.056 0.000 1.110 437 D CA 0.708 54.735 54.000 0.046 0.000 0.835 437 D CB 0.903 41.730 40.800 0.045 0.000 0.965 437 D HN 0.497 nan 8.370 nan 0.000 0.505 438 G N 0.945 109.783 108.800 0.063 0.000 2.194 438 G HA2 -0.244 3.720 3.960 0.006 0.000 0.236 438 G HA3 -0.244 3.720 3.960 0.006 0.000 0.236 438 G C 0.291 175.239 174.900 0.079 0.000 0.987 438 G CA -0.390 44.756 45.100 0.076 0.000 0.635 438 G HN 0.317 nan 8.290 nan 0.000 0.520 439 L N 1.135 122.400 121.223 0.069 0.000 2.385 439 L HA 0.462 4.805 4.340 0.006 0.000 0.281 439 L C 1.665 178.573 176.870 0.062 0.000 1.106 439 L CA 0.851 55.729 54.840 0.064 0.000 0.856 439 L CB 0.536 42.625 42.059 0.049 0.000 1.186 439 L HN 1.027 nan 8.230 nan 0.000 0.453 440 G N 2.606 111.448 108.800 0.071 0.000 2.160 440 G HA2 -0.323 3.641 3.960 0.006 0.000 0.251 440 G HA3 -0.323 3.641 3.960 0.006 0.000 0.251 440 G C 0.998 175.954 174.900 0.093 0.000 1.008 440 G CA 0.386 45.526 45.100 0.066 0.000 0.724 440 G HN 0.836 nan 8.290 nan 0.000 0.514 441 A N 0.170 123.070 122.820 0.134 0.000 1.933 441 A HA -0.012 4.312 4.320 0.006 0.000 0.218 441 A C 1.833 179.547 177.584 0.217 0.000 1.175 441 A CA 1.829 53.990 52.037 0.206 0.000 0.628 441 A CB -0.204 18.903 19.000 0.178 0.000 0.814 441 A HN 0.504 nan 8.150 nan 0.000 0.444 442 N N -1.145 117.646 118.700 0.152 0.000 2.320 442 N HA 0.120 4.864 4.740 0.006 0.000 0.237 442 N C 0.560 176.111 175.510 0.068 0.000 1.129 442 N CA -0.130 52.997 53.050 0.130 0.000 0.854 442 N CB 0.015 38.560 38.487 0.097 0.000 1.083 442 N HN 0.507 nan 8.380 nan 0.000 0.504 443 F N 0.700 120.559 119.950 -0.152 0.000 2.134 443 F HA -0.034 4.497 4.527 0.006 0.000 0.299 443 F C 1.213 176.810 175.800 -0.338 0.000 1.097 443 F CA 1.429 59.239 58.000 -0.317 0.000 1.264 443 F CB -0.085 38.576 39.000 -0.565 0.000 1.001 443 F HN -0.061 nan 8.300 nan 0.000 0.479 444 F N 0.494 120.430 119.950 -0.024 0.000 2.797 444 F HA 0.115 4.646 4.527 0.007 0.000 0.302 444 F C 0.935 176.731 175.800 -0.007 0.000 1.130 444 F CA 0.268 58.242 58.000 -0.042 0.000 1.387 444 F CB -0.361 38.673 39.000 0.057 0.000 1.107 444 F HN 0.001 nan 8.300 nan 0.000 0.577 445 N N -0.044 118.734 118.700 0.130 0.000 2.800 445 N HA -0.169 4.574 4.740 0.006 0.000 0.250 445 N C -0.909 174.707 175.510 0.175 0.000 1.078 445 N CA 0.658 53.775 53.050 0.111 0.000 0.804 445 N CB -1.494 37.030 38.487 0.061 0.000 1.135 445 N HN 0.089 nan 8.380 nan 0.000 0.565 446 V N 1.201 121.283 119.914 0.280 0.000 2.447 446 V HA 0.209 4.333 4.120 0.006 0.000 0.292 446 V C 0.408 176.745 176.094 0.404 0.000 1.021 446 V CA -1.021 61.460 62.300 0.301 0.000 0.850 446 V CB 2.188 34.204 31.823 0.322 0.000 1.005 446 V HN -0.064 nan 8.190 nan 0.000 0.426 447 K N 2.908 123.473 120.400 0.275 0.000 2.485 447 K HA 0.353 4.677 4.320 0.006 0.000 0.277 447 K C 0.645 177.376 176.600 0.218 0.000 0.990 447 K CA 0.121 56.563 56.287 0.258 0.000 0.994 447 K CB 0.896 33.484 32.500 0.147 0.000 0.906 447 K HN 0.840 nan 8.250 nan 0.000 0.488 448 A N 2.427 125.323 122.820 0.126 0.000 2.520 448 A HA 0.079 4.403 4.320 0.006 0.000 0.235 448 A C 0.138 177.637 177.584 -0.143 0.000 1.065 448 A CA 0.468 52.336 52.037 -0.282 0.000 0.764 448 A CB 0.120 18.899 19.000 -0.369 0.000 1.002 448 A HN 0.737 nan 8.150 nan 0.000 0.502 449 D N -0.331 119.955 120.400 -0.191 0.000 2.728 449 D HA 0.071 4.715 4.640 0.006 0.000 0.249 449 D C -1.036 175.208 176.300 -0.094 0.000 1.225 449 D CA -0.538 53.408 54.000 -0.090 0.000 0.748 449 D CB 0.781 41.561 40.800 -0.033 0.000 1.326 449 D HN 0.423 nan 8.370 nan 0.000 0.426 450 N N 2.314 120.988 118.700 -0.043 0.000 2.399 450 N HA 0.014 4.758 4.740 0.006 0.000 0.284 450 N C 1.056 176.539 175.510 -0.045 0.000 1.283 450 N CA 0.242 53.286 53.050 -0.009 0.000 0.972 450 N CB 0.140 38.648 38.487 0.036 0.000 1.328 450 N HN 0.436 nan 8.380 nan 0.000 0.486 451 L N 2.947 124.087 121.223 -0.138 0.000 2.549 451 L HA -0.097 4.247 4.340 0.006 0.000 0.229 451 L C 1.572 178.295 176.870 -0.246 0.000 1.158 451 L CA 0.536 55.250 54.840 -0.211 0.000 0.842 451 L CB -0.378 41.507 42.059 -0.289 0.000 0.952 451 L HN 0.565 nan 8.230 nan 0.000 0.452 452 H N 0.118 119.158 119.070 -0.050 0.000 2.535 452 H HA 0.029 4.589 4.556 0.006 0.000 0.273 452 H C 1.576 176.883 175.328 -0.035 0.000 0.983 452 H CA 0.849 56.871 56.048 -0.043 0.000 1.238 452 H CB 0.526 30.266 29.762 -0.036 0.000 1.412 452 H HN 0.417 nan 8.280 nan 0.000 0.562 453 K N 0.008 120.448 120.400 0.067 0.000 2.403 453 K HA 0.027 4.351 4.320 0.006 0.000 0.199 453 K C 0.724 177.327 176.600 0.005 0.000 1.199 453 K CA -0.177 56.130 56.287 0.033 0.000 0.924 453 K CB 0.718 33.237 32.500 0.032 0.000 1.137 453 K HN -0.108 nan 8.250 nan 0.000 0.510 454 N N 1.738 120.433 118.700 -0.009 0.000 2.448 454 N HA 0.124 4.868 4.740 0.006 0.000 0.250 454 N C 0.374 175.868 175.510 -0.027 0.000 1.136 454 N CA -0.035 53.006 53.050 -0.014 0.000 0.953 454 N CB 1.146 39.626 38.487 -0.012 0.000 1.251 454 N HN 0.193 nan 8.380 nan 0.000 0.502 455 A N 3.657 126.464 122.820 -0.021 0.000 1.883 455 A HA -0.172 4.152 4.320 0.006 0.000 0.217 455 A C 1.683 179.251 177.584 -0.028 0.000 1.186 455 A CA 1.461 53.480 52.037 -0.029 0.000 0.624 455 A CB -0.290 18.699 19.000 -0.019 0.000 0.822 455 A HN 0.711 nan 8.150 nan 0.000 0.444 456 D N 0.094 120.486 120.400 -0.013 0.000 2.106 456 D HA -0.166 4.478 4.640 0.006 0.000 0.191 456 D C 2.282 178.580 176.300 -0.003 0.000 0.997 456 D CA 1.704 55.702 54.000 -0.004 0.000 0.834 456 D CB -0.324 40.480 40.800 0.008 0.000 0.956 456 D HN 0.461 nan 8.370 nan 0.000 0.448 457 A N 1.344 124.163 122.820 -0.001 0.000 1.902 457 A HA -0.217 4.107 4.320 0.006 0.000 0.217 457 A C 2.204 179.770 177.584 -0.030 0.000 1.181 457 A CA 1.619 53.662 52.037 0.009 0.000 0.623 457 A CB -0.588 18.419 19.000 0.012 0.000 0.818 457 A HN 0.112 nan 8.150 nan 0.000 0.443 458 R N -0.494 119.963 120.500 -0.073 0.000 2.073 458 R HA -0.198 4.146 4.340 0.006 0.000 0.234 458 R C 2.212 178.432 176.300 -0.134 0.000 1.134 458 R CA 1.981 57.999 56.100 -0.136 0.000 0.952 458 R CB -0.200 30.013 30.300 -0.145 0.000 0.850 458 R HN 0.345 nan 8.270 nan 0.000 0.433 459 K N 1.018 121.369 120.400 -0.082 0.000 2.057 459 K HA -0.128 4.196 4.320 0.006 0.000 0.207 459 K C 1.740 178.310 176.600 -0.050 0.000 1.049 459 K CA 1.775 58.023 56.287 -0.065 0.000 0.931 459 K CB 0.011 32.489 32.500 -0.036 0.000 0.714 459 K HN 0.148 nan 8.250 nan 0.000 0.440 460 K N -0.063 120.323 120.400 -0.025 0.000 2.057 460 K HA -0.058 4.266 4.320 0.006 0.000 0.207 460 K C 2.069 178.668 176.600 -0.002 0.000 1.049 460 K CA 1.544 57.838 56.287 0.012 0.000 0.931 460 K CB -0.177 32.353 32.500 0.050 0.000 0.714 460 K HN 0.122 nan 8.250 nan 0.000 0.440 461 L N 0.899 122.078 121.223 -0.074 0.000 2.093 461 L HA -0.162 4.182 4.340 0.006 0.000 0.208 461 L C 2.178 178.895 176.870 -0.255 0.000 1.085 461 L CA 1.208 55.941 54.840 -0.180 0.000 0.755 461 L CB -0.350 41.527 42.059 -0.303 0.000 0.904 461 L HN 0.225 nan 8.230 nan 0.000 0.435 462 E N 0.149 120.196 120.200 -0.255 0.000 2.051 462 E HA -0.218 4.135 4.350 0.006 0.000 0.192 462 E C 1.716 178.273 176.600 -0.073 0.000 0.991 462 E CA 1.325 57.592 56.400 -0.221 0.000 0.799 462 E CB -0.062 29.530 29.700 -0.179 0.000 0.748 462 E HN 0.467 nan 8.360 nan 0.000 0.449 463 D N 0.302 120.686 120.400 -0.027 0.000 2.144 463 D HA -0.089 4.555 4.640 0.006 0.000 0.199 463 D C 2.053 178.398 176.300 0.076 0.000 0.984 463 D CA 0.852 54.866 54.000 0.023 0.000 0.834 463 D CB -0.202 40.615 40.800 0.028 0.000 0.955 463 D HN -0.020 nan 8.370 nan 0.000 0.465 464 S N 0.634 116.406 115.700 0.121 0.000 2.382 464 S HA -0.115 4.359 4.470 0.006 0.000 0.228 464 S C 2.135 176.911 174.600 0.294 0.000 1.027 464 S CA 0.984 59.325 58.200 0.235 0.000 0.991 464 S CB -0.156 63.269 63.200 0.375 0.000 0.823 464 S HN 0.366 nan 8.310 nan 0.000 0.469 465 A N 1.752 124.749 122.820 0.294 0.000 1.883 465 A HA -0.186 4.138 4.320 0.006 0.000 0.217 465 A C 2.021 179.736 177.584 0.218 0.000 1.186 465 A CA 1.598 53.855 52.037 0.367 0.000 0.624 465 A CB -0.598 18.539 19.000 0.228 0.000 0.822 465 A HN 0.550 nan 8.150 nan 0.000 0.444 466 E N -0.822 119.452 120.200 0.122 0.000 2.077 466 E HA -0.174 4.180 4.350 0.006 0.000 0.193 466 E C 1.907 178.546 176.600 0.066 0.000 0.989 466 E CA 1.105 57.553 56.400 0.080 0.000 0.800 466 E CB -0.239 29.487 29.700 0.044 0.000 0.746 466 E HN 0.442 nan 8.360 nan 0.000 0.452 467 L N 0.610 121.873 121.223 0.066 0.000 2.017 467 L HA -0.189 4.155 4.340 0.006 0.000 0.208 467 L C 2.238 179.113 176.870 0.010 0.000 1.073 467 L CA 1.450 56.301 54.840 0.018 0.000 0.745 467 L CB -0.422 41.648 42.059 0.017 0.000 0.894 467 L HN 0.141 nan 8.230 nan 0.000 0.432 468 L N -1.173 120.096 121.223 0.076 0.000 2.046 468 L HA -0.221 4.123 4.340 0.006 0.000 0.208 468 L C 2.292 179.179 176.870 0.029 0.000 1.077 468 L CA 1.846 56.715 54.840 0.047 0.000 0.747 468 L CB -0.963 41.163 42.059 0.112 0.000 0.896 468 L HN 0.470 nan 8.230 nan 0.000 0.432 469 T N -3.495 111.106 114.554 0.079 0.000 3.100 469 T HA -0.037 4.317 4.350 0.006 0.000 0.253 469 T C 0.839 175.572 174.700 0.054 0.000 1.118 469 T CA -0.160 61.990 62.100 0.084 0.000 1.058 469 T CB -0.056 68.884 68.868 0.119 0.000 0.953 469 T HN 0.094 nan 8.240 nan 0.000 0.515 470 K N 1.004 121.413 120.400 0.015 0.000 2.326 470 K HA 0.247 4.571 4.320 0.006 0.000 0.275 470 K C -0.220 176.358 176.600 -0.037 0.000 1.018 470 K CA -0.873 55.417 56.287 0.005 0.000 0.962 470 K CB 0.195 32.679 32.500 -0.026 0.000 0.953 470 K HN 0.199 nan 8.250 nan 0.000 0.475 471 F N 4.678 124.556 119.950 -0.121 0.000 2.595 471 F HA -0.056 4.475 4.527 0.006 0.000 0.359 471 F C 0.863 176.527 175.800 -0.227 0.000 1.147 471 F CA 0.854 58.744 58.000 -0.182 0.000 1.341 471 F CB 0.089 39.009 39.000 -0.133 0.000 1.104 471 F HN 0.917 nan 8.300 nan 0.000 0.603 472 N N 1.875 119.640 118.700 -1.558 0.000 2.828 472 N HA -0.235 4.509 4.740 0.006 0.000 0.248 472 N C -0.823 174.261 175.510 -0.710 0.000 1.044 472 N CA 1.087 53.424 53.050 -1.187 0.000 0.851 472 N CB -1.234 36.648 38.487 -1.010 0.000 1.136 472 N HN 0.460 nan 8.380 nan 0.000 0.572 473 S N 0.155 115.406 115.700 -0.748 0.000 2.462 473 S HA 0.641 5.115 4.470 0.006 0.000 0.294 473 S C -0.546 173.661 174.600 -0.655 0.000 1.144 473 S CA -0.334 57.575 58.200 -0.485 0.000 1.088 473 S CB 1.059 64.086 63.200 -0.289 0.000 1.009 473 S HN 0.217 nan 8.310 nan 0.000 0.484 474 Y N 0.466 120.689 120.300 -0.128 0.000 2.605 474 Y HA 0.641 5.195 4.550 0.007 0.000 0.343 474 Y C -0.291 175.509 175.900 -0.167 0.000 1.036 474 Y CA -1.086 56.968 58.100 -0.076 0.000 1.065 474 Y CB 1.279 39.721 38.460 -0.030 0.000 1.288 474 Y HN 0.275 nan 8.280 nan 0.000 0.481 475 V N 1.409 121.213 119.914 -0.184 0.000 2.444 475 V HA 0.275 4.399 4.120 0.006 0.000 0.294 475 V C -1.252 174.550 176.094 -0.487 0.000 1.022 475 V CA -0.748 61.326 62.300 -0.377 0.000 0.850 475 V CB 1.650 33.127 31.823 -0.577 0.000 0.992 475 V HN 0.712 nan 8.190 nan 0.000 0.426 476 D N 4.100 124.363 120.400 -0.228 0.000 2.373 476 D HA 0.705 5.349 4.640 0.006 0.000 0.227 476 D C -0.256 175.979 176.300 -0.107 0.000 1.091 476 D CA 0.100 54.003 54.000 -0.162 0.000 0.840 476 D CB 1.489 42.250 40.800 -0.064 0.000 1.060 476 D HN 0.815 nan 8.370 nan 0.000 0.502 477 A N 2.823 125.577 122.820 -0.109 0.000 2.556 477 A HA 0.657 4.981 4.320 0.006 0.000 0.294 477 A C -1.267 176.326 177.584 0.015 0.000 1.091 477 A CA -0.716 51.323 52.037 0.003 0.000 0.704 477 A CB 1.613 20.656 19.000 0.071 0.000 1.300 477 A HN 0.308 nan 8.150 nan 0.000 0.406 478 V N 1.295 121.211 119.914 0.004 0.000 2.427 478 V HA 0.598 4.722 4.120 0.006 0.000 0.286 478 V C -0.046 176.051 176.094 0.003 0.000 1.034 478 V CA -0.250 62.007 62.300 -0.071 0.000 0.893 478 V CB 1.217 32.862 31.823 -0.296 0.000 0.982 478 V HN 1.182 nan 8.190 nan 0.000 0.452 479 V N 1.896 121.843 119.914 0.055 0.000 2.823 479 V HA 0.734 4.858 4.120 0.006 0.000 0.312 479 V C -0.638 175.583 176.094 0.211 0.000 1.072 479 V CA -0.775 61.607 62.300 0.137 0.000 0.937 479 V CB 1.934 33.859 31.823 0.170 0.000 1.013 479 V HN 0.924 nan 8.190 nan 0.000 0.430 480 E N 3.127 123.440 120.200 0.187 0.000 2.158 480 E HA 0.432 4.786 4.350 0.006 0.000 0.271 480 E C -0.336 176.364 176.600 0.166 0.000 0.911 480 E CA -0.871 55.629 56.400 0.167 0.000 0.767 480 E CB 1.618 31.363 29.700 0.075 0.000 1.120 480 E HN 0.824 nan 8.360 nan 0.000 0.405 481 R N 4.252 124.854 120.500 0.169 0.000 2.401 481 R HA 0.188 4.532 4.340 0.006 0.000 0.299 481 R C -0.605 175.635 176.300 -0.100 0.000 1.064 481 R CA -0.002 56.024 56.100 -0.123 0.000 1.000 481 R CB 0.569 30.784 30.300 -0.142 0.000 0.973 481 R HN 0.506 nan 8.270 nan 0.000 0.438 482 R N 3.733 124.152 120.500 -0.134 0.000 2.510 482 R HA 0.062 4.406 4.340 0.006 0.000 0.294 482 R C -0.970 175.306 176.300 -0.040 0.000 1.056 482 R CA -0.556 55.510 56.100 -0.056 0.000 0.918 482 R CB 0.799 31.094 30.300 -0.008 0.000 1.187 482 R HN 0.893 nan 8.270 nan 0.000 0.437 483 N N 2.999 121.663 118.700 -0.059 0.000 2.705 483 N HA -0.219 4.525 4.740 0.006 0.000 0.255 483 N C 0.510 175.898 175.510 -0.203 0.000 1.008 483 N CA 1.908 54.924 53.050 -0.057 0.000 0.742 483 N CB -0.941 37.576 38.487 0.050 0.000 0.906 483 N HN 1.067 nan 8.380 nan 0.000 0.541 484 G N -2.059 106.522 108.800 -0.365 0.000 2.184 484 G HA2 -0.304 3.660 3.960 0.006 0.000 0.264 484 G HA3 -0.304 3.660 3.960 0.006 0.000 0.264 484 G C 0.122 174.463 174.900 -0.932 0.000 0.975 484 G CA 0.591 45.301 45.100 -0.649 0.000 0.642 484 G HN 0.497 nan 8.290 nan 0.000 0.536 485 F N -1.104 118.641 119.950 -0.342 0.000 2.598 485 F HA 0.749 5.279 4.527 0.006 0.000 0.327 485 F C 0.001 175.526 175.800 -0.458 0.000 1.057 485 F CA -1.450 56.355 58.000 -0.325 0.000 0.957 485 F CB 1.353 40.225 39.000 -0.214 0.000 1.278 485 F HN -0.045 nan 8.300 nan 0.000 0.484 486 Y N 2.059 122.405 120.300 0.078 0.000 2.334 486 Y HA 0.560 5.114 4.550 0.007 0.000 0.336 486 Y C -0.861 175.025 175.900 -0.022 0.000 0.960 486 Y CA -0.851 57.245 58.100 -0.008 0.000 1.164 486 Y CB 1.184 39.601 38.460 -0.072 0.000 1.155 486 Y HN 0.215 nan 8.280 nan 0.000 0.478 487 L N 4.701 125.984 121.223 0.100 0.000 2.295 487 L HA 0.451 4.794 4.340 0.006 0.000 0.285 487 L C -0.168 176.726 176.870 0.041 0.000 1.035 487 L CA -0.403 54.441 54.840 0.006 0.000 0.806 487 L CB 1.092 43.131 42.059 -0.033 0.000 1.214 487 L HN 0.543 nan 8.230 nan 0.000 0.426 488 I N 4.113 124.678 120.570 -0.007 0.000 2.588 488 I HA 0.203 4.377 4.170 0.006 0.000 0.283 488 I C 0.225 176.345 176.117 0.006 0.000 1.119 488 I CA 0.167 61.463 61.300 -0.006 0.000 1.419 488 I CB 0.268 38.191 38.000 -0.128 0.000 1.394 488 I HN 0.667 nan 8.210 nan 0.000 0.562 489 K N 3.852 124.279 120.400 0.045 0.000 2.556 489 K HA 0.350 4.673 4.320 0.006 0.000 0.274 489 K C -1.050 175.608 176.600 0.097 0.000 0.966 489 K CA -0.832 55.496 56.287 0.068 0.000 0.865 489 K CB 1.629 34.168 32.500 0.064 0.000 1.444 489 K HN 0.453 nan 8.250 nan 0.000 0.433 490 D N 0.368 120.842 120.400 0.124 0.000 2.708 490 D HA -0.131 4.513 4.640 0.006 0.000 0.236 490 D C -1.050 175.337 176.300 0.144 0.000 1.146 490 D CA 1.521 55.612 54.000 0.151 0.000 0.662 490 D CB -1.284 39.667 40.800 0.252 0.000 1.059 490 D HN 0.681 nan 8.370 nan 0.000 0.428 491 T N 0.394 115.040 114.554 0.154 0.000 2.928 491 T HA 0.538 4.892 4.350 0.006 0.000 0.296 491 T C 0.112 174.890 174.700 0.130 0.000 1.000 491 T CA -0.803 61.399 62.100 0.169 0.000 0.989 491 T CB 2.469 71.491 68.868 0.257 0.000 1.005 491 T HN -0.044 nan 8.240 nan 0.000 0.442 492 K N 2.109 122.476 120.400 -0.055 0.000 2.422 492 K HA 0.564 4.888 4.320 0.006 0.000 0.251 492 K C -0.776 175.612 176.600 -0.353 0.000 0.933 492 K CA -0.872 55.266 56.287 -0.248 0.000 0.798 492 K CB 2.422 34.855 32.500 -0.113 0.000 1.238 492 K HN 0.393 nan 8.250 nan 0.000 0.428 493 L N 3.661 124.564 121.223 -0.534 0.000 2.456 493 L HA 0.178 4.522 4.340 0.006 0.000 0.272 493 L C 1.105 177.875 176.870 -0.167 0.000 1.189 493 L CA 0.142 54.774 54.840 -0.348 0.000 0.846 493 L CB 0.266 42.140 42.059 -0.310 0.000 1.111 493 L HN 0.707 nan 8.230 nan 0.000 0.475 494 I N -1.227 119.277 120.570 -0.110 0.000 3.974 494 I HA 0.270 4.443 4.170 0.006 0.000 0.334 494 I C -0.445 175.417 176.117 -0.425 0.000 1.437 494 I CA -0.378 60.785 61.300 -0.229 0.000 1.113 494 I CB 0.040 37.876 38.000 -0.274 0.000 1.063 494 I HN 0.350 nan 8.210 nan 0.000 0.400 495 Y N 0.000 120.256 120.300 -0.073 0.000 2.660 495 Y HA 0.000 4.554 4.550 0.006 0.000 0.201 495 Y CA 0.000 58.074 58.100 -0.044 0.000 1.940 495 Y CB 0.000 38.425 38.460 -0.059 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758