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 3ox4_1_C DATA FIRST_RESID 2 DATA SEQUENCE ASSTFYIPFV NEMGEGSLEK AIKDLNGSGF KNALIVSDAF MNKSGVVKQV DATA SEQUENCE ADLLKAQGIN SAVYDGVMPN PTVTAVLEGL KILKDNNSDF VISLGGGSPH DATA SEQUENCE DCAKAIALVA TNGGEVKDYE GIDKSKKPAL PLMSINTTAG TASEMTRFCI DATA SEQUENCE ITDEVRHVKM AIVDRHVTPM VSVNDPLLMV GMPKGLTAAT GMDALTHAFE DATA SEQUENCE AYSSTAATPI TDACALKAAS MIAKNLKTAC DNGKDMPARE AMAYAQFLAG DATA SEQUENCE MAFNNASLGY VHAMAHQLGG YYNLPHGVCN AVLLPHVLAY NASVVAGRLK DATA SEQUENCE DVGVAMGLDI ANLGDKEGAE ATIQAVRDLA ASIGIPANLT ELGAKKEDVP DATA SEQUENCE LLADHALKDA CALTNPRQGD QKEVEELFLS AF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 S N 1.058 116.759 115.700 0.002 0.000 2.566 3 S HA 0.535 5.031 4.470 0.042 0.000 0.280 3 S C 0.612 175.214 174.600 0.004 0.000 1.343 3 S CA 1.034 59.234 58.200 0.001 0.000 1.036 3 S CB 0.318 63.519 63.200 0.001 0.000 0.866 3 S HN 1.983 nan 8.310 nan 0.000 0.526 4 S N 2.181 117.880 115.700 -0.002 0.000 2.596 4 S HA 0.721 5.216 4.470 0.042 0.000 0.270 4 S C -1.221 173.360 174.600 -0.032 0.000 1.155 4 S CA -0.868 57.332 58.200 0.001 0.000 0.827 4 S CB 1.721 64.931 63.200 0.017 0.000 1.130 4 S HN 0.644 nan 8.310 nan 0.000 0.467 5 T N 2.026 116.543 114.554 -0.060 0.000 2.881 5 T HA 0.559 4.934 4.350 0.042 0.000 0.290 5 T C -1.691 172.859 174.700 -0.251 0.000 1.000 5 T CA -0.312 61.652 62.100 -0.227 0.000 0.978 5 T CB 0.970 69.584 68.868 -0.422 0.000 0.997 5 T HN 0.576 nan 8.240 nan 0.000 0.443 6 F N 3.886 123.599 119.950 -0.394 0.000 2.361 6 F HA 0.590 5.140 4.527 0.039 0.000 0.364 6 F C -1.307 174.258 175.800 -0.391 0.000 1.117 6 F CA -0.998 56.832 58.000 -0.284 0.000 1.071 6 F CB 0.466 39.366 39.000 -0.167 0.000 1.188 6 F HN 0.513 nan 8.300 nan 0.000 0.464 7 Y N 7.147 127.060 120.300 -0.645 0.000 2.342 7 Y HA 0.713 5.286 4.550 0.039 0.000 0.334 7 Y C -0.007 175.503 175.900 -0.650 0.000 1.067 7 Y CA -0.840 56.947 58.100 -0.522 0.000 1.128 7 Y CB 1.553 39.727 38.460 -0.477 0.000 1.200 7 Y HN 0.588 nan 8.280 nan 0.000 0.464 8 I N 3.278 123.702 120.570 -0.244 0.000 2.768 8 I HA 0.363 4.558 4.170 0.042 0.000 0.298 8 I C -3.033 172.991 176.117 -0.155 0.000 1.672 8 I CA -2.156 59.021 61.300 -0.204 0.000 0.962 8 I CB 2.307 40.276 38.000 -0.052 0.000 1.409 8 I HN 0.342 nan 8.210 nan 0.000 0.549 9 P HA 0.291 nan 4.420 nan 0.000 0.271 9 P C -0.009 177.287 177.300 -0.006 0.000 1.218 9 P CA -0.113 62.948 63.100 -0.065 0.000 0.780 9 P CB 0.347 32.074 31.700 0.045 0.000 0.901 10 F N 0.595 120.589 119.950 0.073 0.000 2.161 10 F HA -0.075 4.471 4.527 0.031 0.000 0.300 10 F C 1.075 176.914 175.800 0.065 0.000 1.089 10 F CA 1.312 59.352 58.000 0.067 0.000 1.282 10 F CB -0.210 38.821 39.000 0.051 0.000 1.010 10 F HN 0.007 nan 8.300 nan 0.000 0.485 11 V N 0.752 120.816 119.914 0.250 0.000 2.577 11 V HA 0.327 4.472 4.120 0.042 0.000 0.303 11 V C -0.802 175.355 176.094 0.105 0.000 1.042 11 V CA -1.059 61.331 62.300 0.151 0.000 0.872 11 V CB 1.912 33.807 31.823 0.121 0.000 0.998 11 V HN 0.053 nan 8.190 nan 0.000 0.423 12 N N 3.486 122.217 118.700 0.053 0.000 2.576 12 N HA 0.324 5.089 4.740 0.042 0.000 0.269 12 N C -1.040 174.398 175.510 -0.120 0.000 1.058 12 N CA -0.591 52.435 53.050 -0.040 0.000 0.860 12 N CB 2.251 40.687 38.487 -0.085 0.000 1.249 12 N HN 0.607 nan 8.380 nan 0.000 0.525 13 E N 2.677 122.820 120.200 -0.095 0.000 2.229 13 E HA 0.414 4.789 4.350 0.042 0.000 0.283 13 E C 0.027 176.525 176.600 -0.171 0.000 1.030 13 E CA 0.047 56.390 56.400 -0.094 0.000 0.836 13 E CB 1.715 31.392 29.700 -0.038 0.000 1.068 13 E HN 0.485 nan 8.360 nan 0.000 0.401 14 M N 0.646 120.131 119.600 -0.191 0.000 2.550 14 M HA 0.641 5.146 4.480 0.042 0.000 0.292 14 M C 0.104 176.285 176.300 -0.198 0.000 1.221 14 M CA -0.729 54.389 55.300 -0.303 0.000 0.873 14 M CB 2.733 34.979 32.600 -0.590 0.000 1.727 14 M HN 0.630 nan 8.290 nan 0.000 0.459 15 G N 0.947 109.622 108.800 -0.208 0.000 2.603 15 G HA2 -0.080 3.905 3.960 0.042 0.000 0.686 15 G HA3 -0.080 3.905 3.960 0.042 0.000 0.686 15 G C -1.297 173.584 174.900 -0.032 0.000 1.286 15 G CA -1.077 43.979 45.100 -0.073 0.000 0.871 15 G HN 0.788 nan 8.290 nan 0.000 0.568 16 E N 0.498 120.699 120.200 0.003 0.000 2.415 16 E HA 0.377 4.752 4.350 0.042 0.000 0.260 16 E C 1.293 177.897 176.600 0.008 0.000 1.016 16 E CA 1.101 57.506 56.400 0.009 0.000 0.924 16 E CB 0.543 30.255 29.700 0.020 0.000 0.961 16 E HN 2.220 nan 8.360 nan 0.000 0.459 17 G N 2.822 111.626 108.800 0.007 0.000 2.175 17 G HA2 -0.369 3.616 3.960 0.042 0.000 0.244 17 G HA3 -0.369 3.616 3.960 0.042 0.000 0.244 17 G C 1.074 175.978 174.900 0.006 0.000 0.982 17 G CA 0.475 45.581 45.100 0.009 0.000 0.641 17 G HN 0.616 nan 8.290 nan 0.000 0.527 18 S N -0.443 115.254 115.700 -0.005 0.000 2.453 18 S HA 0.138 4.634 4.470 0.042 0.000 0.231 18 S C 2.227 176.829 174.600 0.003 0.000 1.005 18 S CA 1.535 59.729 58.200 -0.011 0.000 0.949 18 S CB -0.013 63.162 63.200 -0.042 0.000 0.774 18 S HN 1.099 nan 8.310 nan 0.000 0.510 19 L N 1.994 123.223 121.223 0.011 0.000 2.056 19 L HA 0.038 4.403 4.340 0.042 0.000 0.207 19 L C 2.299 179.189 176.870 0.034 0.000 1.078 19 L CA 1.852 56.708 54.840 0.027 0.000 0.749 19 L CB -0.767 41.311 42.059 0.031 0.000 0.901 19 L HN 0.300 nan 8.230 nan 0.000 0.433 20 E N -0.447 119.769 120.200 0.027 0.000 2.072 20 E HA -0.247 4.128 4.350 0.042 0.000 0.190 20 E C 2.091 178.708 176.600 0.028 0.000 0.982 20 E CA 1.149 57.567 56.400 0.029 0.000 0.803 20 E CB -0.212 29.502 29.700 0.024 0.000 0.755 20 E HN 0.475 nan 8.360 nan 0.000 0.453 21 K N 1.180 121.592 120.400 0.021 0.000 2.057 21 K HA -0.165 4.181 4.320 0.042 0.000 0.207 21 K C 2.213 178.827 176.600 0.024 0.000 1.049 21 K CA 1.212 57.510 56.287 0.018 0.000 0.931 21 K CB -0.134 32.373 32.500 0.012 0.000 0.714 21 K HN 0.078 nan 8.250 nan 0.000 0.440 22 A N 1.552 124.390 122.820 0.029 0.000 1.865 22 A HA -0.178 4.168 4.320 0.042 0.000 0.217 22 A C 2.132 179.749 177.584 0.055 0.000 1.191 22 A CA 1.797 53.859 52.037 0.041 0.000 0.623 22 A CB -0.657 18.371 19.000 0.047 0.000 0.826 22 A HN 0.376 nan 8.150 nan 0.000 0.444 23 I N -0.736 119.871 120.570 0.062 0.000 2.252 23 I HA -0.255 3.940 4.170 0.042 0.000 0.245 23 I C 2.466 178.616 176.117 0.056 0.000 1.102 23 I CA 1.540 62.886 61.300 0.077 0.000 1.385 23 I CB -0.303 37.746 38.000 0.081 0.000 1.064 23 I HN 0.297 nan 8.210 nan 0.000 0.414 24 K N 0.535 120.958 120.400 0.039 0.000 2.103 24 K HA -0.201 4.144 4.320 0.042 0.000 0.207 24 K C 1.528 178.137 176.600 0.015 0.000 1.048 24 K CA 1.425 57.728 56.287 0.026 0.000 0.930 24 K CB -0.204 32.308 32.500 0.019 0.000 0.716 24 K HN 0.277 nan 8.250 nan 0.000 0.444 25 D N 0.947 121.356 120.400 0.016 0.000 2.309 25 D HA -0.108 4.557 4.640 0.042 0.000 0.212 25 D C 1.663 177.958 176.300 -0.009 0.000 0.968 25 D CA 0.734 54.736 54.000 0.003 0.000 0.882 25 D CB 0.033 40.839 40.800 0.010 0.000 0.918 25 D HN 0.188 nan 8.370 nan 0.000 0.503 26 L N 0.322 121.548 121.223 0.004 0.000 2.291 26 L HA -0.057 4.309 4.340 0.042 0.000 0.214 26 L C 1.213 178.055 176.870 -0.046 0.000 1.120 26 L CA 0.163 54.993 54.840 -0.016 0.000 0.799 26 L CB -0.256 41.815 42.059 0.021 0.000 0.925 26 L HN -0.077 nan 8.230 nan 0.000 0.446 27 N N 1.098 119.784 118.700 -0.023 0.000 2.394 27 N HA -0.008 4.757 4.740 0.042 0.000 0.288 27 N C 0.686 176.160 175.510 -0.059 0.000 1.272 27 N CA 1.193 54.225 53.050 -0.030 0.000 1.004 27 N CB 0.361 38.841 38.487 -0.012 0.000 1.393 27 N HN 0.403 nan 8.380 nan 0.000 0.488 28 G N 1.305 110.048 108.800 -0.095 0.000 2.370 28 G HA2 -0.232 3.753 3.960 0.042 0.000 0.174 28 G HA3 -0.232 3.753 3.960 0.042 0.000 0.174 28 G C 0.862 175.644 174.900 -0.196 0.000 1.002 28 G CA 0.288 45.317 45.100 -0.117 0.000 0.730 28 G HN 0.601 nan 8.290 nan 0.000 0.497 29 S N -0.274 115.260 115.700 -0.278 0.000 2.446 29 S HA 0.400 4.895 4.470 0.042 0.000 0.225 29 S C 2.258 176.420 174.600 -0.729 0.000 1.016 29 S CA 1.703 59.578 58.200 -0.542 0.000 0.943 29 S CB 0.219 63.024 63.200 -0.659 0.000 0.786 29 S HN 2.267 nan 8.310 nan 0.000 0.508 30 G N 0.281 108.810 108.800 -0.451 0.000 2.195 30 G HA2 -0.210 3.775 3.960 0.042 0.000 0.246 30 G HA3 -0.210 3.775 3.960 0.042 0.000 0.246 30 G C -0.109 174.660 174.900 -0.218 0.000 0.984 30 G CA -0.009 44.898 45.100 -0.322 0.000 0.633 30 G HN 0.446 nan 8.290 nan 0.000 0.525 31 F N 0.558 120.444 119.950 -0.106 0.000 2.459 31 F HA 0.650 5.197 4.527 0.033 0.000 0.346 31 F C 1.452 177.281 175.800 0.048 0.000 1.128 31 F CA -0.340 57.629 58.000 -0.052 0.000 1.268 31 F CB 0.979 39.774 39.000 -0.342 0.000 1.161 31 F HN -0.163 nan 8.300 nan 0.000 0.583 32 K N 0.515 121.118 120.400 0.338 0.000 2.567 32 K HA 0.164 4.510 4.320 0.042 0.000 0.218 32 K C -0.535 176.194 176.600 0.214 0.000 1.440 32 K CA 0.208 56.628 56.287 0.221 0.000 0.995 32 K CB 0.489 33.070 32.500 0.136 0.000 1.186 32 K HN 0.469 nan 8.250 nan 0.000 0.593 33 N N 1.206 120.053 118.700 0.246 0.000 2.577 33 N HA 0.318 5.083 4.740 0.042 0.000 0.275 33 N C -1.329 174.199 175.510 0.031 0.000 1.091 33 N CA -0.120 53.006 53.050 0.127 0.000 0.843 33 N CB 2.188 40.721 38.487 0.077 0.000 1.295 33 N HN -0.003 nan 8.380 nan 0.000 0.530 34 A N 1.699 124.447 122.820 -0.120 0.000 2.303 34 A HA 0.600 4.945 4.320 0.042 0.000 0.317 34 A C -0.394 176.968 177.584 -0.370 0.000 1.149 34 A CA -0.572 51.099 52.037 -0.610 0.000 0.822 34 A CB 0.778 19.263 19.000 -0.859 0.000 1.131 34 A HN 0.540 nan 8.150 nan 0.000 0.493 35 L N 3.359 124.336 121.223 -0.410 0.000 2.276 35 L HA 0.525 4.890 4.340 0.042 0.000 0.286 35 L C -0.797 175.960 176.870 -0.188 0.000 1.024 35 L CA -0.134 54.580 54.840 -0.210 0.000 0.826 35 L CB 0.303 42.271 42.059 -0.152 0.000 1.211 35 L HN 0.549 nan 8.230 nan 0.000 0.422 36 I N 6.299 126.802 120.570 -0.112 0.000 2.308 36 I HA 0.204 4.399 4.170 0.042 0.000 0.293 36 I C -0.430 175.680 176.117 -0.013 0.000 1.078 36 I CA -0.477 60.780 61.300 -0.072 0.000 1.292 36 I CB 0.987 38.956 38.000 -0.052 0.000 1.423 36 I HN 0.291 nan 8.210 nan 0.000 0.493 37 V N 6.225 126.140 119.914 0.003 0.000 2.364 37 V HA 0.382 4.527 4.120 0.042 0.000 0.272 37 V C 0.229 176.311 176.094 -0.021 0.000 1.036 37 V CA 0.188 62.517 62.300 0.047 0.000 0.880 37 V CB 1.036 32.915 31.823 0.093 0.000 0.991 37 V HN 0.845 nan 8.190 nan 0.000 0.460 38 S N 3.284 118.931 115.700 -0.087 0.000 3.121 38 S HA 0.557 5.052 4.470 0.042 0.000 0.324 38 S C -1.435 173.073 174.600 -0.154 0.000 1.192 38 S CA -0.665 57.474 58.200 -0.101 0.000 0.937 38 S CB 1.840 65.003 63.200 -0.062 0.000 1.336 38 S HN 0.707 nan 8.310 nan 0.000 0.664 39 D N 0.100 120.442 120.400 -0.098 0.000 2.592 39 D HA 0.645 5.310 4.640 0.042 0.000 0.259 39 D C 0.805 177.073 176.300 -0.054 0.000 1.144 39 D CA -0.049 53.902 54.000 -0.082 0.000 1.080 39 D CB 1.390 42.179 40.800 -0.019 0.000 1.225 39 D HN 0.515 nan 8.370 nan 0.000 0.619 40 A N -0.187 122.620 122.820 -0.022 0.000 1.930 40 A HA -0.095 4.250 4.320 0.042 0.000 0.215 40 A C 1.851 179.448 177.584 0.022 0.000 1.176 40 A CA 0.881 52.909 52.037 -0.015 0.000 0.632 40 A CB -0.601 18.395 19.000 -0.007 0.000 0.819 40 A HN 0.488 nan 8.150 nan 0.000 0.445 41 F N 0.125 120.045 119.950 -0.050 0.000 2.113 41 F HA -0.141 4.408 4.527 0.037 0.000 0.297 41 F C 2.239 178.019 175.800 -0.034 0.000 1.103 41 F CA 1.726 59.705 58.000 -0.036 0.000 1.248 41 F CB -0.132 38.850 39.000 -0.030 0.000 0.999 41 F HN 0.067 nan 8.300 nan 0.000 0.475 42 M N 0.252 119.990 119.600 0.230 0.000 2.202 42 M HA -0.239 4.266 4.480 0.042 0.000 0.262 42 M C 1.988 178.289 176.300 0.001 0.000 1.063 42 M CA 1.192 56.569 55.300 0.127 0.000 1.097 42 M CB -1.661 30.988 32.600 0.081 0.000 1.382 42 M HN 0.304 nan 8.290 nan 0.000 0.413 43 N N 0.876 119.556 118.700 -0.034 0.000 2.109 43 N HA -0.107 4.658 4.740 0.042 0.000 0.188 43 N C 1.538 176.989 175.510 -0.098 0.000 1.034 43 N CA 1.220 54.234 53.050 -0.060 0.000 0.846 43 N CB 0.094 38.544 38.487 -0.062 0.000 1.010 43 N HN 0.363 nan 8.380 nan 0.000 0.425 44 K N 0.626 120.935 120.400 -0.153 0.000 2.009 44 K HA -0.098 4.248 4.320 0.042 0.000 0.210 44 K C 2.133 178.596 176.600 -0.229 0.000 1.049 44 K CA 1.854 58.021 56.287 -0.199 0.000 0.929 44 K CB -0.354 31.981 32.500 -0.274 0.000 0.714 44 K HN 0.273 nan 8.250 nan 0.000 0.440 45 S N -0.134 115.365 115.700 -0.334 0.000 2.440 45 S HA -0.113 4.382 4.470 0.042 0.000 0.240 45 S C 1.619 176.151 174.600 -0.113 0.000 1.014 45 S CA 1.081 59.124 58.200 -0.263 0.000 0.980 45 S CB -0.583 62.475 63.200 -0.237 0.000 0.775 45 S HN 0.566 nan 8.310 nan 0.000 0.499 46 G N -0.328 108.420 108.800 -0.086 0.000 2.157 46 G HA2 -0.273 3.712 3.960 0.042 0.000 0.248 46 G HA3 -0.273 3.712 3.960 0.042 0.000 0.248 46 G C 0.648 175.537 174.900 -0.018 0.000 0.979 46 G CA 0.189 45.262 45.100 -0.045 0.000 0.650 46 G HN 0.613 nan 8.290 nan 0.000 0.529 47 V N 0.303 120.213 119.914 -0.006 0.000 2.358 47 V HA -0.182 3.963 4.120 0.042 0.000 0.246 47 V C 2.878 178.980 176.094 0.014 0.000 1.047 47 V CA 2.155 64.466 62.300 0.019 0.000 1.035 47 V CB -0.587 31.264 31.823 0.046 0.000 0.658 47 V HN 0.361 nan 8.190 nan 0.000 0.452 48 V N 0.154 120.070 119.914 0.002 0.000 2.255 48 V HA -0.291 3.854 4.120 0.042 0.000 0.247 48 V C 2.508 178.602 176.094 -0.000 0.000 1.051 48 V CA 2.377 64.675 62.300 -0.002 0.000 1.018 48 V CB -0.724 31.090 31.823 -0.016 0.000 0.641 48 V HN 0.477 nan 8.190 nan 0.000 0.445 49 K N 0.175 120.572 120.400 -0.005 0.000 2.148 49 K HA -0.184 4.161 4.320 0.042 0.000 0.204 49 K C 2.213 178.818 176.600 0.007 0.000 1.050 49 K CA 1.465 57.752 56.287 -0.001 0.000 0.942 49 K CB -0.456 32.040 32.500 -0.007 0.000 0.724 49 K HN 0.554 nan 8.250 nan 0.000 0.446 50 Q N -0.319 119.486 119.800 0.009 0.000 2.096 50 Q HA -0.140 4.226 4.340 0.042 0.000 0.204 50 Q C 1.731 177.745 176.000 0.024 0.000 0.982 50 Q CA 1.802 57.615 55.803 0.016 0.000 0.850 50 Q CB 0.086 28.835 28.738 0.018 0.000 0.901 50 Q HN 0.181 nan 8.270 nan 0.000 0.422 51 V N 0.643 120.572 119.914 0.026 0.000 2.323 51 V HA -0.229 3.916 4.120 0.042 0.000 0.244 51 V C 2.357 178.473 176.094 0.037 0.000 1.041 51 V CA 1.607 63.928 62.300 0.036 0.000 1.025 51 V CB -1.076 30.767 31.823 0.033 0.000 0.656 51 V HN 0.509 nan 8.190 nan 0.000 0.451 52 A N 0.196 123.031 122.820 0.024 0.000 1.873 52 A HA -0.313 4.032 4.320 0.042 0.000 0.218 52 A C 2.015 179.618 177.584 0.032 0.000 1.193 52 A CA 2.316 54.367 52.037 0.024 0.000 0.629 52 A CB -0.769 18.238 19.000 0.012 0.000 0.826 52 A HN 0.571 nan 8.150 nan 0.000 0.447 53 D N -0.034 120.381 120.400 0.026 0.000 2.117 53 D HA -0.123 4.543 4.640 0.042 0.000 0.197 53 D C 1.993 178.314 176.300 0.034 0.000 0.987 53 D CA 1.259 55.275 54.000 0.027 0.000 0.829 53 D CB -0.364 40.448 40.800 0.020 0.000 0.961 53 D HN 0.484 nan 8.370 nan 0.000 0.460 54 L N 0.434 121.681 121.223 0.039 0.000 2.083 54 L HA -0.125 4.240 4.340 0.042 0.000 0.209 54 L C 2.617 179.523 176.870 0.059 0.000 1.083 54 L CA 0.542 55.409 54.840 0.045 0.000 0.752 54 L CB -0.338 41.749 42.059 0.047 0.000 0.899 54 L HN 0.025 nan 8.230 nan 0.000 0.433 55 L N -0.512 120.754 121.223 0.073 0.000 2.093 55 L HA -0.174 4.191 4.340 0.042 0.000 0.208 55 L C 2.744 179.665 176.870 0.084 0.000 1.085 55 L CA 0.925 55.826 54.840 0.101 0.000 0.755 55 L CB -0.496 41.636 42.059 0.122 0.000 0.904 55 L HN 0.219 nan 8.230 nan 0.000 0.435 56 K N 0.498 120.936 120.400 0.063 0.000 2.063 56 K HA -0.130 4.215 4.320 0.042 0.000 0.208 56 K C 2.144 178.771 176.600 0.045 0.000 1.048 56 K CA 1.553 57.871 56.287 0.051 0.000 0.928 56 K CB -0.678 31.845 32.500 0.038 0.000 0.713 56 K HN 0.264 nan 8.250 nan 0.000 0.442 57 A N 1.572 124.416 122.820 0.040 0.000 2.076 57 A HA -0.159 4.186 4.320 0.042 0.000 0.220 57 A C 1.688 179.292 177.584 0.034 0.000 1.160 57 A CA 1.312 53.368 52.037 0.033 0.000 0.653 57 A CB -0.138 18.880 19.000 0.030 0.000 0.801 57 A HN 0.250 nan 8.150 nan 0.000 0.455 58 Q N -1.546 118.281 119.800 0.045 0.000 2.247 58 Q HA 0.249 4.614 4.340 0.042 0.000 0.204 58 Q C 0.918 176.946 176.000 0.046 0.000 0.872 58 Q CA 0.603 56.431 55.803 0.043 0.000 0.951 58 Q CB 0.170 28.939 28.738 0.053 0.000 1.099 58 Q HN 0.970 nan 8.270 nan 0.000 0.501 59 G N 1.619 110.449 108.800 0.050 0.000 2.182 59 G HA2 -0.241 3.744 3.960 0.042 0.000 0.248 59 G HA3 -0.241 3.744 3.960 0.042 0.000 0.248 59 G C -0.050 174.896 174.900 0.078 0.000 1.042 59 G CA -0.053 45.078 45.100 0.051 0.000 0.775 59 G HN 0.323 nan 8.290 nan 0.000 0.501 60 I N 0.834 121.465 120.570 0.101 0.000 2.418 60 I HA 0.293 4.488 4.170 0.042 0.000 0.287 60 I C -0.094 176.095 176.117 0.121 0.000 1.008 60 I CA -1.109 60.281 61.300 0.150 0.000 1.104 60 I CB 1.320 39.459 38.000 0.231 0.000 1.264 60 I HN 0.007 nan 8.210 nan 0.000 0.438 61 N N 4.312 123.077 118.700 0.108 0.000 2.483 61 N HA 0.411 5.177 4.740 0.042 0.000 0.269 61 N C -0.458 175.083 175.510 0.051 0.000 1.209 61 N CA -0.231 52.860 53.050 0.068 0.000 0.969 61 N CB 1.713 40.234 38.487 0.056 0.000 1.173 61 N HN 0.672 nan 8.380 nan 0.000 0.475 62 S N -1.509 114.203 115.700 0.019 0.000 2.540 62 S HA 0.777 5.272 4.470 0.042 0.000 0.275 62 S C -1.067 173.522 174.600 -0.019 0.000 1.123 62 S CA -1.025 57.164 58.200 -0.018 0.000 0.907 62 S CB 1.836 65.024 63.200 -0.021 0.000 1.081 62 S HN 0.704 nan 8.310 nan 0.000 0.476 63 A N 1.856 124.653 122.820 -0.037 0.000 2.340 63 A HA 0.878 5.223 4.320 0.042 0.000 0.331 63 A C -0.828 176.748 177.584 -0.013 0.000 1.140 63 A CA -0.874 51.152 52.037 -0.018 0.000 0.801 63 A CB 1.393 20.381 19.000 -0.020 0.000 1.234 63 A HN 1.102 nan 8.150 nan 0.000 0.469 64 V N 1.676 121.599 119.914 0.014 0.000 2.588 64 V HA 0.404 4.550 4.120 0.042 0.000 0.304 64 V C -1.467 174.683 176.094 0.093 0.000 1.042 64 V CA -0.369 61.947 62.300 0.028 0.000 0.877 64 V CB 1.622 33.446 31.823 0.001 0.000 0.996 64 V HN 0.806 nan 8.190 nan 0.000 0.425 65 Y N 4.864 125.143 120.300 -0.035 0.000 2.426 65 Y HA 0.517 5.091 4.550 0.040 0.000 0.325 65 Y C 0.139 176.026 175.900 -0.022 0.000 0.989 65 Y CA -1.823 56.261 58.100 -0.027 0.000 1.284 65 Y CB 1.252 39.694 38.460 -0.030 0.000 1.104 65 Y HN 0.795 nan 8.280 nan 0.000 0.481 66 D N 1.836 121.961 120.400 -0.458 0.000 2.615 66 D HA 0.194 4.860 4.640 0.042 0.000 0.236 66 D C 1.250 177.217 176.300 -0.555 0.000 1.233 66 D CA -0.009 53.728 54.000 -0.437 0.000 0.829 66 D CB 0.141 40.825 40.800 -0.194 0.000 1.024 66 D HN 0.706 nan 8.370 nan 0.000 0.490 67 G N -0.100 108.017 108.800 -1.139 0.000 3.233 67 G HA2 0.181 4.167 3.960 0.042 0.000 0.227 67 G HA3 0.181 4.167 3.960 0.042 0.000 0.227 67 G C 0.369 175.057 174.900 -0.353 0.000 1.175 67 G CA -0.280 44.464 45.100 -0.594 0.000 0.781 67 G HN 0.210 nan 8.290 nan 0.000 0.542 68 V N 1.713 121.377 119.914 -0.418 0.000 2.637 68 V HA 0.326 4.472 4.120 0.042 0.000 0.296 68 V C 0.365 176.418 176.094 -0.068 0.000 1.046 68 V CA 0.481 62.706 62.300 -0.125 0.000 1.066 68 V CB 1.033 32.795 31.823 -0.101 0.000 0.968 68 V HN 0.257 nan 8.190 nan 0.000 0.483 69 M N 5.536 125.129 119.600 -0.012 0.000 2.602 69 M HA 0.465 4.970 4.480 0.042 0.000 0.312 69 M C -2.683 173.620 176.300 0.005 0.000 1.181 69 M CA -1.973 53.325 55.300 -0.003 0.000 0.910 69 M CB 2.071 34.677 32.600 0.011 0.000 1.723 69 M HN 0.296 nan 8.290 nan 0.000 0.459 70 P HA -0.071 nan 4.420 nan 0.000 0.261 70 P C -1.085 176.227 177.300 0.019 0.000 1.173 70 P CA 0.704 63.812 63.100 0.015 0.000 0.760 70 P CB 0.115 31.825 31.700 0.016 0.000 0.783 71 N N 0.776 119.490 118.700 0.022 0.000 2.531 71 N HA -0.093 4.673 4.740 0.042 0.000 0.279 71 N C -2.343 173.172 175.510 0.007 0.000 1.267 71 N CA 0.026 53.080 53.050 0.006 0.000 0.663 71 N CB -1.154 37.330 38.487 -0.005 0.000 0.886 71 N HN 0.365 nan 8.380 nan 0.000 0.544 72 P HA -0.047 nan 4.420 nan 0.000 0.261 72 P C 0.484 177.795 177.300 0.019 0.000 1.183 72 P CA 0.497 63.615 63.100 0.030 0.000 0.761 72 P CB 0.437 32.163 31.700 0.043 0.000 0.785 73 T N -0.652 113.918 114.554 0.027 0.000 2.884 73 T HA 0.253 4.628 4.350 0.042 0.000 0.277 73 T C 1.448 176.157 174.700 0.014 0.000 0.976 73 T CA -0.772 61.335 62.100 0.012 0.000 0.956 73 T CB 0.361 69.238 68.868 0.016 0.000 1.113 73 T HN 0.073 nan 8.240 nan 0.000 0.554 74 V N 1.122 121.035 119.914 -0.002 0.000 2.591 74 V HA -0.110 4.035 4.120 0.042 0.000 0.249 74 V C 3.151 179.242 176.094 -0.005 0.000 1.053 74 V CA 2.058 64.356 62.300 -0.004 0.000 1.068 74 V CB -1.537 30.276 31.823 -0.016 0.000 0.689 74 V HN 1.160 nan 8.190 nan 0.000 0.462 75 T N -0.578 113.976 114.554 -0.001 0.000 2.746 75 T HA -0.157 4.218 4.350 0.042 0.000 0.267 75 T C 1.974 176.676 174.700 0.002 0.000 1.039 75 T CA 1.512 63.611 62.100 -0.002 0.000 1.142 75 T CB -0.500 68.374 68.868 0.009 0.000 0.866 75 T HN 0.449 nan 8.240 nan 0.000 0.444 76 A N 1.137 123.984 122.820 0.044 0.000 1.902 76 A HA 0.061 4.407 4.320 0.042 0.000 0.217 76 A C 2.637 180.223 177.584 0.003 0.000 1.181 76 A CA 1.597 53.699 52.037 0.109 0.000 0.623 76 A CB -1.112 17.990 19.000 0.170 0.000 0.818 76 A HN 0.426 nan 8.150 nan 0.000 0.443 77 V N 0.089 120.002 119.914 -0.002 0.000 2.490 77 V HA -0.228 3.917 4.120 0.042 0.000 0.250 77 V C 2.495 178.531 176.094 -0.096 0.000 1.061 77 V CA 1.801 64.082 62.300 -0.033 0.000 1.064 77 V CB -0.685 31.138 31.823 -0.000 0.000 0.670 77 V HN 0.558 nan 8.190 nan 0.000 0.461 78 L N -0.545 120.625 121.223 -0.088 0.000 2.072 78 L HA -0.128 4.238 4.340 0.042 0.000 0.205 78 L C 2.538 179.304 176.870 -0.175 0.000 1.079 78 L CA 1.485 56.266 54.840 -0.099 0.000 0.752 78 L CB -0.601 41.421 42.059 -0.061 0.000 0.906 78 L HN 0.343 nan 8.230 nan 0.000 0.436 79 E N 0.262 120.316 120.200 -0.244 0.000 2.077 79 E HA -0.168 4.207 4.350 0.042 0.000 0.193 79 E C 2.222 178.410 176.600 -0.686 0.000 0.989 79 E CA 1.157 57.327 56.400 -0.383 0.000 0.800 79 E CB -0.298 29.198 29.700 -0.340 0.000 0.746 79 E HN 0.539 nan 8.360 nan 0.000 0.452 80 G N 1.012 109.244 108.800 -0.946 0.000 2.421 80 G HA2 -0.204 3.781 3.960 0.042 0.000 0.217 80 G HA3 -0.204 3.781 3.960 0.042 0.000 0.217 80 G C 1.523 176.230 174.900 -0.322 0.000 1.143 80 G CA 0.162 44.780 45.100 -0.802 0.000 0.784 80 G HN 0.086 nan 8.290 nan 0.000 0.541 81 L N 0.715 121.799 121.223 -0.232 0.000 2.093 81 L HA 0.107 4.473 4.340 0.042 0.000 0.208 81 L C 2.659 179.461 176.870 -0.114 0.000 1.085 81 L CA 2.080 56.843 54.840 -0.129 0.000 0.755 81 L CB -0.378 41.627 42.059 -0.090 0.000 0.904 81 L HN 0.255 nan 8.230 nan 0.000 0.435 82 K N -0.721 119.597 120.400 -0.137 0.000 2.057 82 K HA -0.154 4.191 4.320 0.042 0.000 0.206 82 K C 1.982 178.529 176.600 -0.088 0.000 1.050 82 K CA 1.373 57.601 56.287 -0.099 0.000 0.935 82 K CB -0.027 32.414 32.500 -0.099 0.000 0.715 82 K HN 0.222 nan 8.250 nan 0.000 0.439 83 I N 1.933 122.432 120.570 -0.118 0.000 2.226 83 I HA -0.262 3.934 4.170 0.042 0.000 0.245 83 I C 2.396 178.479 176.117 -0.057 0.000 1.100 83 I CA 1.077 62.333 61.300 -0.074 0.000 1.374 83 I CB -1.114 36.847 38.000 -0.065 0.000 1.057 83 I HN 0.332 nan 8.210 nan 0.000 0.413 84 L N 0.517 121.696 121.223 -0.072 0.000 2.187 84 L HA -0.250 4.115 4.340 0.042 0.000 0.213 84 L C 2.509 179.355 176.870 -0.039 0.000 1.100 84 L CA 1.575 56.380 54.840 -0.058 0.000 0.765 84 L CB -0.169 41.851 42.059 -0.066 0.000 0.904 84 L HN 0.089 nan 8.230 nan 0.000 0.437 85 K N -0.034 120.343 120.400 -0.038 0.000 2.098 85 K HA -0.106 4.239 4.320 0.042 0.000 0.203 85 K C 1.651 178.241 176.600 -0.017 0.000 1.051 85 K CA 1.511 57.784 56.287 -0.024 0.000 0.957 85 K CB -0.131 32.354 32.500 -0.025 0.000 0.738 85 K HN 0.304 nan 8.250 nan 0.000 0.447 86 D N 0.301 120.689 120.400 -0.020 0.000 2.264 86 D HA -0.089 4.577 4.640 0.042 0.000 0.208 86 D C 0.697 176.993 176.300 -0.007 0.000 0.966 86 D CA 0.762 54.755 54.000 -0.012 0.000 0.864 86 D CB 0.037 40.829 40.800 -0.014 0.000 0.933 86 D HN 0.271 nan 8.370 nan 0.000 0.499 87 N N 0.460 119.155 118.700 -0.010 0.000 2.205 87 N HA -0.047 4.718 4.740 0.042 0.000 0.201 87 N C -0.018 175.493 175.510 0.002 0.000 1.128 87 N CA -0.047 53.001 53.050 -0.004 0.000 0.867 87 N CB 0.508 38.989 38.487 -0.010 0.000 0.996 87 N HN -0.004 nan 8.380 nan 0.000 0.503 88 N N 0.906 119.607 118.700 0.002 0.000 2.735 88 N HA -0.169 4.597 4.740 0.042 0.000 0.248 88 N C -1.199 174.324 175.510 0.021 0.000 1.083 88 N CA 0.313 53.372 53.050 0.014 0.000 0.703 88 N CB -1.237 37.264 38.487 0.022 0.000 1.005 88 N HN 0.014 nan 8.380 nan 0.000 0.550 89 S N 0.402 116.101 115.700 -0.001 0.000 2.549 89 S HA 0.070 4.565 4.470 0.042 0.000 0.286 89 S C 0.975 175.587 174.600 0.020 0.000 1.314 89 S CA 0.193 58.384 58.200 -0.015 0.000 1.062 89 S CB 0.832 63.984 63.200 -0.080 0.000 0.865 89 S HN 0.474 nan 8.310 nan 0.000 0.498 90 D N 0.076 120.525 120.400 0.083 0.000 2.433 90 D HA 0.217 4.882 4.640 0.042 0.000 0.211 90 D C -0.016 176.350 176.300 0.110 0.000 1.114 90 D CA -0.196 53.893 54.000 0.149 0.000 0.837 90 D CB -0.162 40.801 40.800 0.272 0.000 0.984 90 D HN 0.446 nan 8.370 nan 0.000 0.505 91 F N -1.310 118.476 119.950 -0.273 0.000 2.725 91 F HA 0.613 5.148 4.527 0.013 0.000 0.309 91 F C -2.217 173.428 175.800 -0.259 0.000 1.132 91 F CA -1.495 56.238 58.000 -0.446 0.000 0.957 91 F CB 0.860 39.165 39.000 -1.159 0.000 1.286 91 F HN -0.256 nan 8.300 nan 0.000 0.440 92 V N 3.404 123.124 119.914 -0.323 0.000 2.667 92 V HA 0.604 4.749 4.120 0.042 0.000 0.308 92 V C -0.268 175.685 176.094 -0.235 0.000 1.048 92 V CA -0.765 61.343 62.300 -0.321 0.000 0.928 92 V CB 1.860 33.608 31.823 -0.126 0.000 1.004 92 V HN 0.739 nan 8.190 nan 0.000 0.444 93 I N 3.400 123.836 120.570 -0.224 0.000 2.476 93 I HA 0.320 4.515 4.170 0.042 0.000 0.281 93 I C 0.215 176.330 176.117 -0.003 0.000 1.040 93 I CA -0.251 61.004 61.300 -0.075 0.000 1.094 93 I CB 1.959 39.902 38.000 -0.095 0.000 1.219 93 I HN 0.711 nan 8.210 nan 0.000 0.450 94 S N 6.779 122.528 115.700 0.081 0.000 2.565 94 S HA 0.691 5.186 4.470 0.042 0.000 0.274 94 S C -0.697 173.980 174.600 0.128 0.000 1.309 94 S CA -0.576 57.699 58.200 0.125 0.000 1.043 94 S CB 1.967 65.351 63.200 0.305 0.000 0.939 94 S HN 0.503 nan 8.310 nan 0.000 0.504 95 L N 2.524 123.763 121.223 0.026 0.000 2.491 95 L HA 0.776 5.142 4.340 0.042 0.000 0.267 95 L C 0.054 176.889 176.870 -0.059 0.000 0.971 95 L CA 1.136 55.991 54.840 0.026 0.000 0.857 95 L CB 0.937 43.011 42.059 0.025 0.000 1.226 95 L HN 1.249 nan 8.230 nan 0.000 0.408 96 G N 2.592 111.345 108.800 -0.078 0.000 2.295 96 G HA2 0.324 4.310 3.960 0.042 0.000 0.155 96 G HA3 0.324 4.310 3.960 0.042 0.000 0.155 96 G C -0.233 174.566 174.900 -0.168 0.000 1.307 96 G CA -0.093 44.942 45.100 -0.108 0.000 1.140 96 G HN 0.977 nan 8.290 nan 0.000 0.470 97 G N -0.833 107.860 108.800 -0.178 0.000 2.531 97 G HA2 0.565 4.551 3.960 0.042 0.000 0.281 97 G HA3 0.565 4.551 3.960 0.042 0.000 0.281 97 G C 1.429 176.234 174.900 -0.158 0.000 1.382 97 G CA 0.646 45.698 45.100 -0.080 0.000 1.045 97 G HN 1.746 nan 8.290 nan 0.000 0.533 98 G N -0.758 108.111 108.800 0.114 0.000 2.450 98 G HA2 -0.199 3.787 3.960 0.042 0.000 0.220 98 G HA3 -0.199 3.787 3.960 0.042 0.000 0.220 98 G C 2.026 176.990 174.900 0.108 0.000 1.130 98 G CA 1.756 46.997 45.100 0.236 0.000 0.760 98 G HN 0.661 nan 8.290 nan 0.000 0.557 99 S N 1.349 117.066 115.700 0.027 0.000 2.354 99 S HA -0.088 4.407 4.470 0.042 0.000 0.219 99 S C 0.752 175.345 174.600 -0.012 0.000 1.035 99 S CA 1.833 60.043 58.200 0.017 0.000 1.037 99 S CB -0.793 62.407 63.200 -0.000 0.000 0.956 99 S HN 0.352 nan 8.310 nan 0.000 0.428 100 P HA -0.120 nan 4.420 nan 0.000 0.220 100 P C 0.803 178.086 177.300 -0.029 0.000 1.148 100 P CA 1.288 64.335 63.100 -0.088 0.000 0.803 100 P CB -0.355 31.248 31.700 -0.161 0.000 0.782 101 H N 0.598 119.703 119.070 0.060 0.000 2.293 101 H HA -0.093 4.486 4.556 0.038 0.000 0.300 101 H C 1.758 177.121 175.328 0.058 0.000 1.082 101 H CA 1.442 57.526 56.048 0.060 0.000 1.308 101 H CB -1.091 28.717 29.762 0.076 0.000 1.375 101 H HN 0.132 nan 8.280 nan 0.000 0.495 102 D N 0.046 120.562 120.400 0.194 0.000 2.123 102 D HA -0.136 4.530 4.640 0.042 0.000 0.196 102 D C 2.446 178.801 176.300 0.091 0.000 0.992 102 D CA 0.757 54.835 54.000 0.130 0.000 0.833 102 D CB -0.676 40.193 40.800 0.116 0.000 0.954 102 D HN 0.262 nan 8.370 nan 0.000 0.455 103 C N 0.826 120.176 119.300 0.084 0.000 2.432 103 C HA -0.029 4.456 4.460 0.042 0.000 0.277 103 C C 2.873 177.906 174.990 0.073 0.000 1.249 103 C CA 1.407 60.473 59.018 0.080 0.000 1.725 103 C CB -1.081 26.720 27.740 0.103 0.000 2.028 103 C HN 0.347 nan 8.230 nan 0.000 0.477 104 A N 0.204 123.073 122.820 0.081 0.000 1.940 104 A HA -0.194 4.152 4.320 0.042 0.000 0.219 104 A C 2.198 179.806 177.584 0.041 0.000 1.176 104 A CA 1.930 54.005 52.037 0.062 0.000 0.631 104 A CB -0.592 18.456 19.000 0.080 0.000 0.814 104 A HN 0.779 nan 8.150 nan 0.000 0.446 105 K N -0.364 120.069 120.400 0.054 0.000 2.026 105 K HA -0.086 4.259 4.320 0.042 0.000 0.208 105 K C 2.391 178.992 176.600 0.001 0.000 1.048 105 K CA 1.190 57.493 56.287 0.027 0.000 0.929 105 K CB -0.372 32.150 32.500 0.037 0.000 0.713 105 K HN 0.440 nan 8.250 nan 0.000 0.439 106 A N 1.668 124.497 122.820 0.015 0.000 1.865 106 A HA -0.184 4.161 4.320 0.042 0.000 0.217 106 A C 2.170 179.746 177.584 -0.014 0.000 1.191 106 A CA 1.487 53.526 52.037 0.004 0.000 0.623 106 A CB -0.740 18.278 19.000 0.029 0.000 0.826 106 A HN 0.197 nan 8.150 nan 0.000 0.444 107 I N -0.201 120.364 120.570 -0.007 0.000 2.163 107 I HA -0.333 3.862 4.170 0.042 0.000 0.243 107 I C 2.956 179.052 176.117 -0.036 0.000 1.085 107 I CA 1.270 62.555 61.300 -0.025 0.000 1.347 107 I CB -0.382 37.602 38.000 -0.026 0.000 1.044 107 I HN 0.376 nan 8.210 nan 0.000 0.408 108 A N 0.484 123.284 122.820 -0.033 0.000 1.972 108 A HA -0.161 4.184 4.320 0.042 0.000 0.219 108 A C 2.317 179.864 177.584 -0.062 0.000 1.169 108 A CA 1.207 53.220 52.037 -0.040 0.000 0.635 108 A CB -0.568 18.416 19.000 -0.026 0.000 0.810 108 A HN 0.412 nan 8.150 nan 0.000 0.446 109 L N 0.094 121.264 121.223 -0.088 0.000 2.068 109 L HA -0.041 4.324 4.340 0.042 0.000 0.204 109 L C 2.340 179.093 176.870 -0.194 0.000 1.076 109 L CA 1.894 56.633 54.840 -0.168 0.000 0.753 109 L CB -0.909 41.006 42.059 -0.240 0.000 0.910 109 L HN 0.246 nan 8.230 nan 0.000 0.439 110 V N 0.829 120.666 119.914 -0.129 0.000 2.626 110 V HA -0.176 3.970 4.120 0.042 0.000 0.252 110 V C 2.960 179.044 176.094 -0.017 0.000 1.067 110 V CA 1.146 63.425 62.300 -0.035 0.000 1.081 110 V CB -1.167 30.679 31.823 0.038 0.000 0.686 110 V HN 0.538 nan 8.190 nan 0.000 0.468 111 A N 0.860 123.659 122.820 -0.035 0.000 1.978 111 A HA -0.220 4.125 4.320 0.042 0.000 0.220 111 A C 2.388 179.962 177.584 -0.016 0.000 1.170 111 A CA 2.566 54.589 52.037 -0.024 0.000 0.636 111 A CB -0.551 18.430 19.000 -0.031 0.000 0.810 111 A HN 0.654 nan 8.150 nan 0.000 0.448 112 T N -5.241 109.296 114.554 -0.029 0.000 2.969 112 T HA 0.115 4.490 4.350 0.042 0.000 0.250 112 T C 1.215 175.912 174.700 -0.006 0.000 1.021 112 T CA 0.453 62.542 62.100 -0.019 0.000 1.003 112 T CB -0.132 68.716 68.868 -0.034 0.000 1.040 112 T HN 0.340 nan 8.240 nan 0.000 0.492 113 N N 1.433 120.125 118.700 -0.014 0.000 2.325 113 N HA 0.275 5.040 4.740 0.042 0.000 0.182 113 N C 1.424 177.021 175.510 0.144 0.000 1.088 113 N CA 0.832 53.913 53.050 0.052 0.000 0.879 113 N CB 0.689 39.156 38.487 -0.035 0.000 0.983 113 N HN 0.669 nan 8.380 nan 0.000 0.471 114 G N 0.739 109.599 108.800 0.101 0.000 2.575 114 G HA2 -0.116 3.869 3.960 0.042 0.000 0.267 114 G HA3 -0.116 3.869 3.960 0.042 0.000 0.267 114 G C 0.425 175.436 174.900 0.185 0.000 1.264 114 G CA 0.225 45.390 45.100 0.108 0.000 0.935 114 G HN 0.752 nan 8.290 nan 0.000 0.568 115 G N -1.260 107.605 108.800 0.109 0.000 2.601 115 G HA2 0.103 4.088 3.960 0.042 0.000 0.252 115 G HA3 0.103 4.088 3.960 0.042 0.000 0.252 115 G C -0.099 174.844 174.900 0.071 0.000 1.294 115 G CA 1.137 46.274 45.100 0.063 0.000 0.912 115 G HN 1.500 nan 8.290 nan 0.000 0.574 116 E N -1.442 118.762 120.200 0.007 0.000 2.263 116 E HA 0.527 4.902 4.350 0.042 0.000 0.264 116 E C 1.435 178.075 176.600 0.067 0.000 0.923 116 E CA -0.591 55.823 56.400 0.023 0.000 0.802 116 E CB 2.135 31.819 29.700 -0.027 0.000 1.228 116 E HN 0.346 nan 8.360 nan 0.000 0.417 117 V N 2.548 122.520 119.914 0.096 0.000 2.282 117 V HA -0.359 3.786 4.120 0.042 0.000 0.249 117 V C 2.229 178.379 176.094 0.093 0.000 1.057 117 V CA 2.544 64.930 62.300 0.143 0.000 1.032 117 V CB -0.782 31.085 31.823 0.073 0.000 0.645 117 V HN 0.737 nan 8.190 nan 0.000 0.447 118 K N 0.277 120.680 120.400 0.005 0.000 2.281 118 K HA -0.241 4.104 4.320 0.042 0.000 0.203 118 K C 1.404 177.946 176.600 -0.097 0.000 1.046 118 K CA 2.153 58.420 56.287 -0.034 0.000 0.938 118 K CB -0.544 31.926 32.500 -0.050 0.000 0.737 118 K HN 0.396 nan 8.250 nan 0.000 0.458 119 D N 0.321 120.595 120.400 -0.211 0.000 2.263 119 D HA -0.138 4.527 4.640 0.042 0.000 0.208 119 D C 0.445 176.410 176.300 -0.558 0.000 0.971 119 D CA 1.063 54.801 54.000 -0.435 0.000 0.867 119 D CB -0.070 40.330 40.800 -0.667 0.000 0.929 119 D HN 0.434 nan 8.370 nan 0.000 0.492 120 Y N 0.246 120.545 120.300 -0.001 0.000 2.555 120 Y HA 0.217 4.794 4.550 0.046 0.000 0.259 120 Y C 0.461 176.361 175.900 0.001 0.000 1.179 120 Y CA -0.522 57.579 58.100 0.002 0.000 1.230 120 Y CB -0.217 38.248 38.460 0.009 0.000 1.146 120 Y HN -0.133 nan 8.280 nan 0.000 0.526 121 E N 1.235 121.474 120.200 0.065 0.000 2.265 121 E HA 0.421 4.796 4.350 0.042 0.000 0.272 121 E C 0.599 177.221 176.600 0.036 0.000 1.067 121 E CA 0.668 57.096 56.400 0.047 0.000 0.900 121 E CB 0.060 29.765 29.700 0.009 0.000 1.017 121 E HN 0.550 nan 8.360 nan 0.000 0.431 122 G N 4.017 112.846 108.800 0.050 0.000 2.292 122 G HA2 -0.008 3.977 3.960 0.042 0.000 0.194 122 G HA3 -0.008 3.977 3.960 0.042 0.000 0.194 122 G C -1.088 173.838 174.900 0.043 0.000 1.329 122 G CA -0.243 44.880 45.100 0.038 0.000 1.100 122 G HN 0.576 nan 8.290 nan 0.000 0.470 123 I N -1.379 119.208 120.570 0.029 0.000 2.389 123 I HA 0.565 4.760 4.170 0.042 0.000 0.288 123 I C -0.334 175.781 176.117 -0.004 0.000 0.999 123 I CA -0.493 60.812 61.300 0.009 0.000 1.129 123 I CB 0.886 38.893 38.000 0.011 0.000 1.288 123 I HN 0.624 nan 8.210 nan 0.000 0.444 124 D N 5.251 125.626 120.400 -0.043 0.000 2.755 124 D HA -0.176 4.489 4.640 0.042 0.000 0.227 124 D C 0.846 177.148 176.300 0.002 0.000 1.211 124 D CA 0.532 54.489 54.000 -0.072 0.000 0.663 124 D CB -0.073 40.669 40.800 -0.097 0.000 0.983 124 D HN 0.596 nan 8.370 nan 0.000 0.407 125 K N -0.412 120.035 120.400 0.079 0.000 2.186 125 K HA -0.026 4.319 4.320 0.042 0.000 0.202 125 K C 1.266 178.025 176.600 0.266 0.000 1.052 125 K CA 0.325 56.706 56.287 0.157 0.000 0.965 125 K CB 0.023 32.636 32.500 0.190 0.000 0.746 125 K HN 0.457 nan 8.250 nan 0.000 0.457 126 S N 1.070 116.931 115.700 0.268 0.000 2.564 126 S HA 0.169 4.665 4.470 0.042 0.000 0.278 126 S C 0.769 175.498 174.600 0.214 0.000 1.333 126 S CA -0.356 57.985 58.200 0.236 0.000 1.048 126 S CB 1.371 64.568 63.200 -0.004 0.000 0.900 126 S HN 0.087 nan 8.310 nan 0.000 0.505 127 K N 1.408 121.932 120.400 0.207 0.000 2.308 127 K HA 0.174 4.520 4.320 0.042 0.000 0.197 127 K C 0.187 176.897 176.600 0.182 0.000 1.049 127 K CA 0.539 56.932 56.287 0.176 0.000 0.991 127 K CB 0.123 32.698 32.500 0.124 0.000 0.836 127 K HN 0.541 nan 8.250 nan 0.000 0.500 128 K N 1.157 121.618 120.400 0.102 0.000 2.328 128 K HA 0.342 4.687 4.320 0.042 0.000 0.246 128 K C -2.870 173.542 176.600 -0.313 0.000 0.955 128 K CA -2.445 53.808 56.287 -0.057 0.000 0.817 128 K CB 1.761 34.242 32.500 -0.032 0.000 1.208 128 K HN -0.289 nan 8.250 nan 0.000 0.432 129 P HA -0.076 nan 4.420 nan 0.000 0.266 129 P C -0.819 176.327 177.300 -0.256 0.000 1.195 129 P CA 0.219 62.958 63.100 -0.601 0.000 0.768 129 P CB 0.594 32.093 31.700 -0.337 0.000 0.838 130 A N 3.408 126.122 122.820 -0.177 0.000 2.310 130 A HA 0.248 4.594 4.320 0.042 0.000 0.260 130 A C -0.014 177.541 177.584 -0.048 0.000 1.112 130 A CA -0.241 51.740 52.037 -0.093 0.000 0.804 130 A CB -0.291 18.670 19.000 -0.066 0.000 1.081 130 A HN 0.551 nan 8.150 nan 0.000 0.499 131 L N 0.652 121.858 121.223 -0.029 0.000 2.456 131 L HA 0.299 4.665 4.340 0.042 0.000 0.272 131 L C -2.033 174.845 176.870 0.014 0.000 1.189 131 L CA -1.118 53.722 54.840 0.000 0.000 0.846 131 L CB -0.186 41.866 42.059 -0.011 0.000 1.111 131 L HN 0.389 nan 8.230 nan 0.000 0.475 132 P HA 0.009 nan 4.420 nan 0.000 0.261 132 P C -1.405 175.920 177.300 0.043 0.000 1.165 132 P CA 0.303 63.434 63.100 0.052 0.000 0.759 132 P CB 0.360 32.080 31.700 0.033 0.000 0.772 133 L N 4.664 125.931 121.223 0.074 0.000 2.409 133 L HA 0.641 5.006 4.340 0.042 0.000 0.272 133 L C -1.024 175.909 176.870 0.105 0.000 0.980 133 L CA -0.707 54.179 54.840 0.076 0.000 0.826 133 L CB 1.757 43.840 42.059 0.041 0.000 1.268 133 L HN 0.289 nan 8.230 nan 0.000 0.407 134 M N 3.776 123.454 119.600 0.129 0.000 2.364 134 M HA 0.637 5.142 4.480 0.042 0.000 0.334 134 M C -1.252 175.109 176.300 0.101 0.000 1.107 134 M CA -0.084 55.294 55.300 0.129 0.000 0.988 134 M CB 1.769 34.484 32.600 0.190 0.000 1.673 134 M HN 0.688 nan 8.290 nan 0.000 0.441 135 S N 5.730 121.473 115.700 0.072 0.000 2.640 135 S HA 0.540 5.035 4.470 0.042 0.000 0.320 135 S C -0.669 173.973 174.600 0.070 0.000 1.097 135 S CA -0.723 57.513 58.200 0.060 0.000 1.092 135 S CB 0.785 63.910 63.200 -0.125 0.000 0.988 135 S HN 0.558 nan 8.310 nan 0.000 0.470 136 I N 3.727 124.410 120.570 0.189 0.000 2.297 136 I HA 0.303 4.498 4.170 0.042 0.000 0.291 136 I C 0.292 176.586 176.117 0.296 0.000 1.033 136 I CA -0.625 60.777 61.300 0.170 0.000 1.253 136 I CB 0.348 38.425 38.000 0.129 0.000 1.396 136 I HN 0.482 nan 8.210 nan 0.000 0.476 137 N N 3.958 122.782 118.700 0.207 0.000 2.479 137 N HA 0.296 5.062 4.740 0.042 0.000 0.285 137 N C 0.849 176.461 175.510 0.170 0.000 1.075 137 N CA -0.056 53.165 53.050 0.285 0.000 0.967 137 N CB 1.144 39.741 38.487 0.183 0.000 1.137 137 N HN 0.676 nan 8.380 nan 0.000 0.472 138 T N -2.157 112.489 114.554 0.153 0.000 3.004 138 T HA 0.154 4.529 4.350 0.042 0.000 0.266 138 T C 0.392 175.125 174.700 0.056 0.000 0.986 138 T CA -0.025 62.124 62.100 0.081 0.000 0.902 138 T CB -0.486 68.415 68.868 0.055 0.000 1.118 138 T HN 0.497 nan 8.240 nan 0.000 0.522 139 T N -0.038 114.563 114.554 0.077 0.000 2.888 139 T HA 0.762 5.137 4.350 0.042 0.000 0.284 139 T C -0.041 174.706 174.700 0.078 0.000 1.017 139 T CA -0.637 61.495 62.100 0.052 0.000 1.022 139 T CB 1.808 70.701 68.868 0.041 0.000 1.013 139 T HN 0.264 nan 8.240 nan 0.000 0.465 140 A N 1.264 124.118 122.820 0.057 0.000 3.094 140 A HA 0.694 5.040 4.320 0.042 0.000 0.288 140 A C 1.173 178.799 177.584 0.070 0.000 1.519 140 A CA -0.058 52.023 52.037 0.073 0.000 1.227 140 A CB -1.167 17.867 19.000 0.057 0.000 1.175 140 A HN 1.367 nan 8.150 nan 0.000 0.568 141 G N -0.609 108.250 108.800 0.098 0.000 3.159 141 G HA2 0.015 4.000 3.960 0.042 0.000 0.185 141 G HA3 0.015 4.000 3.960 0.042 0.000 0.185 141 G C 1.230 176.224 174.900 0.156 0.000 1.523 141 G CA 0.963 46.104 45.100 0.068 0.000 0.752 141 G HN 0.785 nan 8.290 nan 0.000 0.964 142 T N -1.538 113.165 114.554 0.248 0.000 3.044 142 T HA 0.429 4.804 4.350 0.042 0.000 0.255 142 T C 1.970 176.964 174.700 0.491 0.000 1.073 142 T CA 1.687 64.039 62.100 0.419 0.000 1.125 142 T CB 0.089 69.163 68.868 0.343 0.000 0.908 142 T HN 1.699 nan 8.240 nan 0.000 0.480 143 A N 0.711 123.733 122.820 0.337 0.000 2.829 143 A HA -0.235 4.111 4.320 0.042 0.000 0.267 143 A C 1.744 179.400 177.584 0.119 0.000 1.370 143 A CA 1.381 53.542 52.037 0.207 0.000 0.900 143 A CB -2.706 16.407 19.000 0.189 0.000 1.044 143 A HN 0.741 nan 8.150 nan 0.000 0.691 144 S N -0.004 115.820 115.700 0.207 0.000 2.547 144 S HA -0.097 4.399 4.470 0.042 0.000 0.235 144 S C 1.648 176.228 174.600 -0.034 0.000 0.980 144 S CA 1.254 59.556 58.200 0.169 0.000 0.941 144 S CB -0.343 63.039 63.200 0.304 0.000 0.763 144 S HN 0.874 nan 8.310 nan 0.000 0.532 145 E N 0.786 120.864 120.200 -0.203 0.000 2.489 145 E HA -0.014 4.362 4.350 0.042 0.000 0.193 145 E C 0.981 177.503 176.600 -0.130 0.000 1.057 145 E CA 0.201 56.383 56.400 -0.363 0.000 0.866 145 E CB -0.194 29.207 29.700 -0.499 0.000 0.916 145 E HN 0.754 nan 8.360 nan 0.000 0.500 146 M N -0.750 118.778 119.600 -0.120 0.000 2.241 146 M HA 0.249 4.755 4.480 0.042 0.000 0.374 146 M C 0.270 176.403 176.300 -0.279 0.000 0.922 146 M CA -0.181 55.029 55.300 -0.150 0.000 1.031 146 M CB 0.582 33.075 32.600 -0.178 0.000 1.864 146 M HN -0.106 nan 8.290 nan 0.000 0.636 147 T N -0.203 114.181 114.554 -0.284 0.000 2.902 147 T HA 0.663 5.039 4.350 0.042 0.000 0.280 147 T C 0.551 174.987 174.700 -0.440 0.000 0.992 147 T CA -0.648 61.190 62.100 -0.438 0.000 1.015 147 T CB 1.206 69.869 68.868 -0.343 0.000 1.044 147 T HN 0.488 nan 8.240 nan 0.000 0.520 148 R N -0.071 119.980 120.500 -0.749 0.000 2.586 148 R HA 0.429 4.795 4.340 0.042 0.000 0.306 148 R C -1.111 174.847 176.300 -0.570 0.000 1.079 148 R CA -0.569 55.146 56.100 -0.641 0.000 1.083 148 R CB -1.159 28.661 30.300 -0.800 0.000 1.306 148 R HN 0.418 nan 8.270 nan 0.000 0.567 149 F N -0.354 119.517 119.950 -0.132 0.000 2.480 149 F HA 0.500 5.053 4.527 0.043 0.000 0.329 149 F C -0.043 175.747 175.800 -0.018 0.000 1.091 149 F CA -2.241 55.722 58.000 -0.061 0.000 0.972 149 F CB 1.736 40.733 39.000 -0.005 0.000 1.150 149 F HN 0.008 nan 8.300 nan 0.000 0.467 150 C N 6.014 125.435 119.300 0.201 0.000 2.455 150 C HA 0.621 5.106 4.460 0.042 0.000 0.321 150 C C -0.902 174.145 174.990 0.096 0.000 1.102 150 C CA -0.682 58.408 59.018 0.121 0.000 1.413 150 C CB -1.104 26.680 27.740 0.073 0.000 1.952 150 C HN 0.551 nan 8.230 nan 0.000 0.428 151 I N 7.661 128.278 120.570 0.079 0.000 2.291 151 I HA 0.381 4.577 4.170 0.042 0.000 0.290 151 I C -0.009 176.105 176.117 -0.005 0.000 1.050 151 I CA -0.199 61.106 61.300 0.008 0.000 1.245 151 I CB 0.569 38.538 38.000 -0.052 0.000 1.405 151 I HN 0.450 nan 8.210 nan 0.000 0.478 152 I N 5.570 126.134 120.570 -0.009 0.000 2.378 152 I HA 0.240 4.435 4.170 0.042 0.000 0.291 152 I C 0.736 176.829 176.117 -0.040 0.000 0.992 152 I CA -0.398 60.895 61.300 -0.010 0.000 1.154 152 I CB 1.682 39.689 38.000 0.011 0.000 1.315 152 I HN 0.382 nan 8.210 nan 0.000 0.448 153 T N 4.470 118.996 114.554 -0.047 0.000 2.919 153 T HA 0.063 4.439 4.350 0.042 0.000 0.302 153 T C -0.029 174.631 174.700 -0.068 0.000 1.031 153 T CA 0.065 62.124 62.100 -0.068 0.000 1.127 153 T CB 0.577 69.411 68.868 -0.057 0.000 0.952 153 T HN 0.455 nan 8.240 nan 0.000 0.540 154 D N 1.623 121.963 120.400 -0.101 0.000 2.460 154 D HA 0.222 4.887 4.640 0.042 0.000 0.232 154 D C 0.919 177.120 176.300 -0.165 0.000 1.079 154 D CA -0.464 53.465 54.000 -0.118 0.000 0.864 154 D CB 0.734 41.457 40.800 -0.128 0.000 1.048 154 D HN 0.483 nan 8.370 nan 0.000 0.523 155 E N 1.585 121.708 120.200 -0.129 0.000 2.209 155 E HA -0.143 4.233 4.350 0.042 0.000 0.196 155 E C 1.778 178.169 176.600 -0.347 0.000 0.993 155 E CA 0.734 57.048 56.400 -0.143 0.000 0.819 155 E CB 0.313 29.979 29.700 -0.058 0.000 0.745 155 E HN 0.378 nan 8.360 nan 0.000 0.477 156 V N 0.814 120.553 119.914 -0.292 0.000 2.283 156 V HA -0.200 3.945 4.120 0.042 0.000 0.243 156 V C 1.977 177.797 176.094 -0.456 0.000 1.039 156 V CA 1.789 63.905 62.300 -0.307 0.000 1.016 156 V CB -0.291 31.430 31.823 -0.169 0.000 0.650 156 V HN 0.161 nan 8.190 nan 0.000 0.449 157 R N -1.894 118.388 120.500 -0.363 0.000 2.312 157 R HA 0.163 4.529 4.340 0.042 0.000 0.205 157 R C 0.331 176.437 176.300 -0.324 0.000 0.904 157 R CA 0.036 55.971 56.100 -0.275 0.000 1.052 157 R CB 0.084 30.292 30.300 -0.154 0.000 1.014 157 R HN 0.567 nan 8.270 nan 0.000 0.503 158 H N -1.255 117.649 119.070 -0.276 0.000 2.862 158 H HA -0.115 4.466 4.556 0.042 0.000 0.290 158 H C -0.926 173.933 175.328 -0.782 0.000 1.211 158 H CA 0.774 56.510 56.048 -0.520 0.000 1.140 158 H CB -2.080 27.298 29.762 -0.640 0.000 1.341 158 H HN -0.024 nan 8.280 nan 0.000 0.392 159 V N 0.720 120.412 119.914 -0.369 0.000 2.577 159 V HA 0.177 4.322 4.120 0.042 0.000 0.303 159 V C 0.613 176.607 176.094 -0.166 0.000 1.042 159 V CA -1.120 61.014 62.300 -0.277 0.000 0.872 159 V CB 2.412 34.122 31.823 -0.188 0.000 0.998 159 V HN 0.107 nan 8.190 nan 0.000 0.423 160 K N 5.028 125.343 120.400 -0.141 0.000 2.447 160 K HA 0.291 4.637 4.320 0.042 0.000 0.281 160 K C -0.254 176.292 176.600 -0.091 0.000 1.031 160 K CA 0.306 56.514 56.287 -0.131 0.000 1.019 160 K CB 0.362 32.739 32.500 -0.205 0.000 0.918 160 K HN 0.570 nan 8.250 nan 0.000 0.476 161 M N 2.269 121.827 119.600 -0.070 0.000 2.216 161 M HA 0.231 4.737 4.480 0.042 0.000 0.356 161 M C 0.004 176.293 176.300 -0.019 0.000 1.205 161 M CA -0.397 54.880 55.300 -0.038 0.000 1.122 161 M CB 1.486 34.071 32.600 -0.024 0.000 1.571 161 M HN 0.585 nan 8.290 nan 0.000 0.464 162 A N 4.990 127.811 122.820 0.001 0.000 2.258 162 A HA 0.715 5.061 4.320 0.042 0.000 0.316 162 A C -0.579 177.039 177.584 0.058 0.000 1.279 162 A CA -0.622 51.428 52.037 0.021 0.000 0.876 162 A CB 0.239 19.243 19.000 0.007 0.000 1.170 162 A HN 0.883 nan 8.150 nan 0.000 0.520 163 I N 3.516 124.141 120.570 0.091 0.000 2.354 163 I HA 0.284 4.480 4.170 0.042 0.000 0.286 163 I C -0.796 175.402 176.117 0.135 0.000 1.007 163 I CA -0.628 60.734 61.300 0.104 0.000 1.167 163 I CB 1.831 39.890 38.000 0.099 0.000 1.320 163 I HN 0.286 nan 8.210 nan 0.000 0.458 164 V N 5.403 125.381 119.914 0.108 0.000 2.293 164 V HA 0.425 4.571 4.120 0.042 0.000 0.275 164 V C -0.645 175.397 176.094 -0.087 0.000 1.021 164 V CA -0.285 62.061 62.300 0.076 0.000 0.815 164 V CB 1.229 33.138 31.823 0.143 0.000 1.025 164 V HN 0.633 nan 8.190 nan 0.000 0.448 165 D N 3.560 123.849 120.400 -0.184 0.000 2.966 165 D HA 0.253 4.919 4.640 0.042 0.000 0.222 165 D C 1.195 177.309 176.300 -0.310 0.000 1.292 165 D CA -0.674 53.188 54.000 -0.231 0.000 0.907 165 D CB 2.019 42.742 40.800 -0.129 0.000 1.621 165 D HN 0.434 nan 8.370 nan 0.000 0.557 166 R N 2.740 123.014 120.500 -0.378 0.000 2.211 166 R HA -0.145 4.220 4.340 0.042 0.000 0.240 166 R C 0.717 176.967 176.300 -0.084 0.000 1.144 166 R CA 1.212 57.145 56.100 -0.280 0.000 0.992 166 R CB -0.634 29.594 30.300 -0.121 0.000 0.869 166 R HN 0.580 nan 8.270 nan 0.000 0.462 167 H N 0.780 119.784 119.070 -0.110 0.000 2.547 167 H HA 0.026 4.606 4.556 0.041 0.000 0.272 167 H C 1.847 177.118 175.328 -0.095 0.000 0.989 167 H CA 0.679 56.678 56.048 -0.081 0.000 1.214 167 H CB 0.452 30.170 29.762 -0.074 0.000 1.389 167 H HN 0.203 nan 8.280 nan 0.000 0.577 168 V N -2.074 117.831 119.914 -0.015 0.000 3.608 168 V HA 0.053 4.199 4.120 0.042 0.000 0.269 168 V C 0.873 176.928 176.094 -0.065 0.000 1.245 168 V CA 0.011 62.285 62.300 -0.043 0.000 1.138 168 V CB -0.051 31.738 31.823 -0.056 0.000 0.841 168 V HN 0.045 nan 8.190 nan 0.000 0.451 169 T N 4.318 118.813 114.554 -0.097 0.000 2.829 169 T HA 0.234 4.609 4.350 0.042 0.000 0.293 169 T C -2.158 172.512 174.700 -0.050 0.000 0.970 169 T CA -0.023 62.006 62.100 -0.118 0.000 1.168 169 T CB 0.667 69.443 68.868 -0.153 0.000 0.911 169 T HN 0.390 nan 8.240 nan 0.000 0.535 170 P HA 0.113 nan 4.420 nan 0.000 0.268 170 P C 0.778 178.106 177.300 0.047 0.000 1.208 170 P CA -0.320 62.786 63.100 0.011 0.000 0.777 170 P CB 0.491 32.191 31.700 0.001 0.000 0.875 171 M N 2.270 121.925 119.600 0.092 0.000 2.288 171 M HA 0.017 4.522 4.480 0.042 0.000 0.266 171 M C -0.221 176.174 176.300 0.158 0.000 1.072 171 M CA 1.593 56.987 55.300 0.158 0.000 1.132 171 M CB 0.268 32.968 32.600 0.166 0.000 1.386 171 M HN 0.049 nan 8.290 nan 0.000 0.432 172 V N -0.155 119.830 119.914 0.117 0.000 2.808 172 V HA 0.485 4.631 4.120 0.042 0.000 0.308 172 V C -0.795 175.345 176.094 0.077 0.000 1.099 172 V CA -0.891 61.472 62.300 0.105 0.000 0.920 172 V CB 1.823 33.707 31.823 0.102 0.000 1.014 172 V HN 0.312 nan 8.190 nan 0.000 0.425 173 S N 3.057 118.797 115.700 0.068 0.000 2.537 173 S HA 0.911 5.407 4.470 0.042 0.000 0.301 173 S C -0.967 173.641 174.600 0.014 0.000 1.092 173 S CA -0.721 57.508 58.200 0.048 0.000 1.048 173 S CB 2.044 65.314 63.200 0.116 0.000 1.053 173 S HN 0.595 nan 8.310 nan 0.000 0.501 174 V N 2.721 122.639 119.914 0.007 0.000 2.577 174 V HA 0.511 4.656 4.120 0.042 0.000 0.303 174 V C -0.826 175.255 176.094 -0.022 0.000 1.042 174 V CA -0.757 61.536 62.300 -0.013 0.000 0.872 174 V CB 1.783 33.619 31.823 0.022 0.000 0.998 174 V HN 0.991 nan 8.190 nan 0.000 0.423 175 N N 2.994 121.644 118.700 -0.085 0.000 2.841 175 N HA 0.198 4.964 4.740 0.042 0.000 0.257 175 N C -1.275 174.169 175.510 -0.110 0.000 1.396 175 N CA -0.330 52.665 53.050 -0.091 0.000 0.823 175 N CB 1.338 39.727 38.487 -0.164 0.000 1.162 175 N HN 0.705 nan 8.380 nan 0.000 0.503 176 D N 2.173 122.545 120.400 -0.047 0.000 2.359 176 D HA 0.187 4.853 4.640 0.042 0.000 0.230 176 D C -1.311 174.980 176.300 -0.016 0.000 1.118 176 D CA -1.997 51.981 54.000 -0.036 0.000 0.844 176 D CB 1.800 42.595 40.800 -0.008 0.000 1.059 176 D HN 0.197 nan 8.370 nan 0.000 0.493 177 P HA -0.155 nan 4.420 nan 0.000 0.223 177 P C 1.627 178.937 177.300 0.017 0.000 1.144 177 P CA 0.256 63.357 63.100 0.002 0.000 0.783 177 P CB 0.570 32.274 31.700 0.006 0.000 0.771 178 L N -1.000 120.233 121.223 0.016 0.000 2.079 178 L HA -0.139 4.226 4.340 0.042 0.000 0.210 178 L C 2.335 179.224 176.870 0.032 0.000 1.081 178 L CA 1.596 56.450 54.840 0.024 0.000 0.752 178 L CB -1.729 40.343 42.059 0.022 0.000 0.896 178 L HN -0.038 nan 8.230 nan 0.000 0.433 179 L N -1.786 119.457 121.223 0.033 0.000 2.610 179 L HA -0.003 4.363 4.340 0.042 0.000 0.232 179 L C 1.948 178.846 176.870 0.046 0.000 1.149 179 L CA 1.167 56.035 54.840 0.046 0.000 0.872 179 L CB -0.502 41.587 42.059 0.049 0.000 0.992 179 L HN 0.276 nan 8.230 nan 0.000 0.447 180 M N -2.106 117.515 119.600 0.036 0.000 2.514 180 M HA 0.020 4.526 4.480 0.042 0.000 0.258 180 M C 1.950 178.266 176.300 0.027 0.000 1.159 180 M CA 0.265 55.583 55.300 0.030 0.000 1.116 180 M CB 0.255 32.872 32.600 0.028 0.000 1.333 180 M HN 0.132 nan 8.290 nan 0.000 0.487 181 V N -2.014 117.920 119.914 0.032 0.000 2.794 181 V HA -0.087 4.058 4.120 0.042 0.000 0.260 181 V C 1.804 177.919 176.094 0.035 0.000 1.103 181 V CA 2.066 64.384 62.300 0.031 0.000 1.125 181 V CB -2.027 29.816 31.823 0.033 0.000 0.702 181 V HN 0.506 nan 8.190 nan 0.000 0.494 182 G N -0.782 108.046 108.800 0.046 0.000 2.744 182 G HA2 0.131 4.116 3.960 0.042 0.000 0.211 182 G HA3 0.131 4.116 3.960 0.042 0.000 0.211 182 G C 0.730 175.636 174.900 0.011 0.000 1.143 182 G CA -0.255 44.885 45.100 0.066 0.000 0.788 182 G HN 0.509 nan 8.290 nan 0.000 0.534 183 M N 2.562 122.149 119.600 -0.021 0.000 2.246 183 M HA 0.170 4.676 4.480 0.042 0.000 0.350 183 M C -1.917 174.354 176.300 -0.049 0.000 1.406 183 M CA -1.201 54.058 55.300 -0.067 0.000 1.089 183 M CB 0.873 33.445 32.600 -0.048 0.000 1.782 183 M HN -0.048 nan 8.290 nan 0.000 0.457 184 P HA 0.049 nan 4.420 nan 0.000 0.272 184 P C -0.015 177.264 177.300 -0.034 0.000 1.223 184 P CA -0.155 62.921 63.100 -0.041 0.000 0.784 184 P CB 0.739 32.409 31.700 -0.051 0.000 0.923 185 K N 1.593 121.981 120.400 -0.019 0.000 2.144 185 K HA -0.201 4.144 4.320 0.042 0.000 0.209 185 K C 2.032 178.618 176.600 -0.023 0.000 1.047 185 K CA 2.277 58.554 56.287 -0.016 0.000 0.927 185 K CB -0.962 31.532 32.500 -0.010 0.000 0.716 185 K HN 0.676 nan 8.250 nan 0.000 0.454 186 G N 0.987 109.769 108.800 -0.030 0.000 2.404 186 G HA2 -0.225 3.760 3.960 0.042 0.000 0.215 186 G HA3 -0.225 3.760 3.960 0.042 0.000 0.215 186 G C 1.352 176.227 174.900 -0.042 0.000 1.174 186 G CA 0.648 45.727 45.100 -0.034 0.000 0.780 186 G HN 0.302 nan 8.290 nan 0.000 0.537 187 L N 1.637 122.828 121.223 -0.054 0.000 2.109 187 L HA 0.019 4.385 4.340 0.042 0.000 0.207 187 L C 3.161 180.004 176.870 -0.046 0.000 1.086 187 L CA 2.537 57.340 54.840 -0.061 0.000 0.760 187 L CB -0.843 41.160 42.059 -0.093 0.000 0.910 187 L HN 0.377 nan 8.230 nan 0.000 0.437 188 T N -2.824 111.708 114.554 -0.037 0.000 2.684 188 T HA -0.183 4.193 4.350 0.042 0.000 0.267 188 T C 1.912 176.600 174.700 -0.021 0.000 1.036 188 T CA 1.271 63.358 62.100 -0.022 0.000 1.148 188 T CB -0.956 67.904 68.868 -0.013 0.000 0.863 188 T HN 0.343 nan 8.240 nan 0.000 0.436 189 A N 1.964 124.769 122.820 -0.024 0.000 1.898 189 A HA 0.377 4.722 4.320 0.042 0.000 0.216 189 A C 2.864 180.425 177.584 -0.038 0.000 1.181 189 A CA 1.942 53.963 52.037 -0.026 0.000 0.620 189 A CB -1.445 17.540 19.000 -0.025 0.000 0.819 189 A HN 0.796 nan 8.150 nan 0.000 0.442 190 A N -0.156 122.637 122.820 -0.044 0.000 1.877 190 A HA -0.122 4.223 4.320 0.042 0.000 0.216 190 A C 2.481 180.020 177.584 -0.074 0.000 1.186 190 A CA 2.705 54.706 52.037 -0.058 0.000 0.620 190 A CB -1.474 17.495 19.000 -0.053 0.000 0.822 190 A HN 0.775 nan 8.150 nan 0.000 0.443 191 T N -2.804 111.715 114.554 -0.058 0.000 2.867 191 T HA 0.055 4.431 4.350 0.042 0.000 0.268 191 T C 1.869 176.532 174.700 -0.061 0.000 1.057 191 T CA 1.530 63.595 62.100 -0.059 0.000 1.136 191 T CB -0.805 68.052 68.868 -0.019 0.000 0.874 191 T HN 0.420 nan 8.240 nan 0.000 0.466 192 G N 1.068 109.845 108.800 -0.037 0.000 2.422 192 G HA2 -0.056 3.930 3.960 0.042 0.000 0.218 192 G HA3 -0.056 3.930 3.960 0.042 0.000 0.218 192 G C 1.594 176.471 174.900 -0.040 0.000 1.140 192 G CA 0.666 45.753 45.100 -0.021 0.000 0.775 192 G HN 0.334 nan 8.290 nan 0.000 0.545 193 M N 0.644 120.208 119.600 -0.061 0.000 2.288 193 M HA 0.051 4.557 4.480 0.042 0.000 0.266 193 M C 1.964 178.190 176.300 -0.124 0.000 1.072 193 M CA 0.935 56.196 55.300 -0.066 0.000 1.132 193 M CB -0.583 31.976 32.600 -0.068 0.000 1.386 193 M HN 0.218 nan 8.290 nan 0.000 0.432 194 D N 0.577 120.856 120.400 -0.203 0.000 2.144 194 D HA -0.057 4.609 4.640 0.042 0.000 0.200 194 D C 1.872 177.796 176.300 -0.627 0.000 0.978 194 D CA 1.580 55.350 54.000 -0.384 0.000 0.833 194 D CB 0.212 40.765 40.800 -0.411 0.000 0.961 194 D HN 0.231 nan 8.370 nan 0.000 0.470 195 A N 0.083 122.676 122.820 -0.379 0.000 1.902 195 A HA -0.088 4.258 4.320 0.042 0.000 0.217 195 A C 2.165 179.713 177.584 -0.059 0.000 1.181 195 A CA 1.321 53.226 52.037 -0.221 0.000 0.623 195 A CB -0.899 18.103 19.000 0.003 0.000 0.818 195 A HN 0.379 nan 8.150 nan 0.000 0.443 196 L N -0.201 121.014 121.223 -0.014 0.000 2.083 196 L HA -0.106 4.259 4.340 0.042 0.000 0.209 196 L C 2.431 179.424 176.870 0.205 0.000 1.083 196 L CA 2.719 57.624 54.840 0.109 0.000 0.752 196 L CB -1.005 41.132 42.059 0.130 0.000 0.899 196 L HN 0.365 nan 8.230 nan 0.000 0.433 197 T N -1.430 113.177 114.554 0.089 0.000 2.746 197 T HA -0.208 4.167 4.350 0.042 0.000 0.267 197 T C 1.647 176.487 174.700 0.234 0.000 1.039 197 T CA 1.808 64.005 62.100 0.162 0.000 1.142 197 T CB -0.517 68.402 68.868 0.086 0.000 0.866 197 T HN 0.589 nan 8.240 nan 0.000 0.444 198 H N 0.704 119.801 119.070 0.045 0.000 2.319 198 H HA -0.021 4.559 4.556 0.040 0.000 0.299 198 H C 2.653 178.042 175.328 0.101 0.000 1.092 198 H CA 0.841 56.837 56.048 -0.087 0.000 1.302 198 H CB -0.120 29.550 29.762 -0.153 0.000 1.373 198 H HN 0.381 nan 8.280 nan 0.000 0.497 199 A N 1.012 123.984 122.820 0.253 0.000 1.883 199 A HA -0.190 4.155 4.320 0.042 0.000 0.217 199 A C 2.075 179.732 177.584 0.122 0.000 1.186 199 A CA 1.474 53.600 52.037 0.149 0.000 0.624 199 A CB -0.942 18.075 19.000 0.028 0.000 0.822 199 A HN 0.279 nan 8.150 nan 0.000 0.444 200 F N 0.383 120.402 119.950 0.114 0.000 2.095 200 F HA -0.159 4.393 4.527 0.042 0.000 0.298 200 F C 2.599 178.488 175.800 0.147 0.000 1.104 200 F CA 2.070 60.140 58.000 0.117 0.000 1.232 200 F CB -0.276 38.769 39.000 0.076 0.000 0.987 200 F HN 0.318 nan 8.300 nan 0.000 0.475 201 E N -0.382 120.012 120.200 0.323 0.000 2.150 201 E HA -0.160 4.216 4.350 0.042 0.000 0.193 201 E C 2.354 179.056 176.600 0.171 0.000 0.985 201 E CA 0.905 57.431 56.400 0.210 0.000 0.814 201 E CB -0.341 29.447 29.700 0.147 0.000 0.752 201 E HN 0.388 nan 8.360 nan 0.000 0.466 202 A N 0.744 123.682 122.820 0.197 0.000 1.930 202 A HA -0.188 4.157 4.320 0.042 0.000 0.217 202 A C 1.966 179.651 177.584 0.169 0.000 1.175 202 A CA 1.037 53.186 52.037 0.186 0.000 0.627 202 A CB -0.625 18.513 19.000 0.230 0.000 0.815 202 A HN 0.302 nan 8.150 nan 0.000 0.443 203 Y N 0.960 121.299 120.300 0.065 0.000 2.314 203 Y HA -0.099 4.476 4.550 0.041 0.000 0.293 203 Y C 2.574 178.500 175.900 0.043 0.000 1.129 203 Y CA 1.560 59.680 58.100 0.032 0.000 1.201 203 Y CB -0.014 38.432 38.460 -0.023 0.000 0.999 203 Y HN 0.310 nan 8.280 nan 0.000 0.541 204 S N -1.120 114.659 115.700 0.132 0.000 2.470 204 S HA -0.039 4.456 4.470 0.042 0.000 0.225 204 S C 0.948 175.544 174.600 -0.008 0.000 1.006 204 S CA 0.459 58.694 58.200 0.058 0.000 0.934 204 S CB -0.373 62.902 63.200 0.125 0.000 0.778 204 S HN 0.345 nan 8.310 nan 0.000 0.517 205 S N 2.334 118.041 115.700 0.012 0.000 2.558 205 S HA -0.026 4.470 4.470 0.042 0.000 0.291 205 S C 1.522 176.104 174.600 -0.031 0.000 1.306 205 S CA 0.507 58.707 58.200 -0.001 0.000 1.056 205 S CB 0.611 63.831 63.200 0.032 0.000 0.836 205 S HN 0.553 nan 8.310 nan 0.000 0.504 206 T N 1.888 116.425 114.554 -0.027 0.000 3.160 206 T HA 0.201 4.577 4.350 0.042 0.000 0.257 206 T C 1.032 175.722 174.700 -0.017 0.000 1.147 206 T CA 0.555 62.636 62.100 -0.031 0.000 1.064 206 T CB -0.166 68.686 68.868 -0.026 0.000 0.949 206 T HN 0.698 nan 8.240 nan 0.000 0.526 207 A N 0.406 123.225 122.820 -0.001 0.000 2.430 207 A HA 0.810 5.156 4.320 0.042 0.000 0.243 207 A C 1.251 178.843 177.584 0.014 0.000 1.254 207 A CA -0.067 51.979 52.037 0.015 0.000 0.914 207 A CB -0.407 18.616 19.000 0.038 0.000 0.998 207 A HN 0.724 nan 8.150 nan 0.000 0.515 208 A N 0.595 123.407 122.820 -0.013 0.000 2.507 208 A HA 0.500 4.845 4.320 0.042 0.000 0.235 208 A C 0.818 178.392 177.584 -0.018 0.000 1.070 208 A CA 0.927 52.950 52.037 -0.022 0.000 0.768 208 A CB -0.175 18.761 19.000 -0.106 0.000 1.011 208 A HN 0.980 nan 8.150 nan 0.000 0.502 209 T N -1.489 113.069 114.554 0.007 0.000 2.864 209 T HA 0.646 5.022 4.350 0.042 0.000 0.289 209 T C -2.481 172.221 174.700 0.005 0.000 1.082 209 T CA -1.442 60.662 62.100 0.007 0.000 1.009 209 T CB 1.463 70.351 68.868 0.034 0.000 1.234 209 T HN 0.191 nan 8.240 nan 0.000 0.526 210 P HA 0.105 nan 4.420 nan 0.000 0.218 210 P C 1.492 178.795 177.300 0.005 0.000 1.149 210 P CA 0.802 63.901 63.100 -0.001 0.000 0.817 210 P CB -0.079 31.612 31.700 -0.015 0.000 0.785 211 I N -0.805 119.757 120.570 -0.013 0.000 2.233 211 I HA -0.197 3.999 4.170 0.042 0.000 0.243 211 I C 2.321 178.470 176.117 0.053 0.000 1.093 211 I CA 2.023 63.295 61.300 -0.047 0.000 1.380 211 I CB -1.294 36.590 38.000 -0.194 0.000 1.067 211 I HN 0.087 nan 8.210 nan 0.000 0.413 212 T N -2.176 112.453 114.554 0.124 0.000 2.867 212 T HA -0.149 4.227 4.350 0.042 0.000 0.268 212 T C 1.515 176.313 174.700 0.164 0.000 1.057 212 T CA 1.238 63.441 62.100 0.170 0.000 1.136 212 T CB -0.398 68.564 68.868 0.158 0.000 0.874 212 T HN 0.173 nan 8.240 nan 0.000 0.466 213 D N 2.174 122.661 120.400 0.144 0.000 2.092 213 D HA 0.010 4.675 4.640 0.042 0.000 0.193 213 D C 2.535 178.969 176.300 0.224 0.000 0.994 213 D CA 1.646 55.801 54.000 0.258 0.000 0.828 213 D CB -0.791 40.117 40.800 0.179 0.000 0.963 213 D HN 0.554 nan 8.370 nan 0.000 0.450 214 A N 0.290 123.183 122.820 0.122 0.000 1.908 214 A HA -0.204 4.141 4.320 0.042 0.000 0.218 214 A C 2.564 180.188 177.584 0.067 0.000 1.181 214 A CA 1.552 53.631 52.037 0.071 0.000 0.627 214 A CB -0.946 18.074 19.000 0.033 0.000 0.818 214 A HN 0.376 nan 8.150 nan 0.000 0.445 215 C N -1.178 118.178 119.300 0.094 0.000 2.446 215 C HA 0.135 4.620 4.460 0.042 0.000 0.277 215 C C 3.320 178.371 174.990 0.101 0.000 1.275 215 C CA 0.612 59.695 59.018 0.109 0.000 1.727 215 C CB -1.326 26.502 27.740 0.146 0.000 2.010 215 C HN 0.709 nan 8.230 nan 0.000 0.486 216 A N 0.254 123.145 122.820 0.119 0.000 1.902 216 A HA -0.087 4.258 4.320 0.042 0.000 0.217 216 A C 1.959 179.510 177.584 -0.054 0.000 1.181 216 A CA 1.493 53.582 52.037 0.087 0.000 0.623 216 A CB -0.524 18.586 19.000 0.182 0.000 0.818 216 A HN 0.435 nan 8.150 nan 0.000 0.443 217 L N -0.369 120.794 121.223 -0.100 0.000 2.056 217 L HA -0.079 4.286 4.340 0.042 0.000 0.207 217 L C 2.353 179.155 176.870 -0.114 0.000 1.078 217 L CA 2.228 56.940 54.840 -0.213 0.000 0.749 217 L CB -0.877 41.058 42.059 -0.207 0.000 0.901 217 L HN 0.395 nan 8.230 nan 0.000 0.433 218 K N 0.007 120.384 120.400 -0.039 0.000 2.057 218 K HA -0.083 4.262 4.320 0.042 0.000 0.207 218 K C 2.047 178.651 176.600 0.007 0.000 1.049 218 K CA 1.539 57.821 56.287 -0.010 0.000 0.931 218 K CB -0.449 32.065 32.500 0.023 0.000 0.714 218 K HN 0.216 nan 8.250 nan 0.000 0.440 219 A N 0.537 123.375 122.820 0.030 0.000 1.883 219 A HA -0.078 4.267 4.320 0.042 0.000 0.217 219 A C 2.371 179.963 177.584 0.014 0.000 1.186 219 A CA 2.177 54.248 52.037 0.058 0.000 0.624 219 A CB -1.143 17.915 19.000 0.095 0.000 0.822 219 A HN 0.421 nan 8.150 nan 0.000 0.444 220 A N -1.055 121.731 122.820 -0.056 0.000 2.067 220 A HA -0.014 4.331 4.320 0.042 0.000 0.219 220 A C 2.386 179.931 177.584 -0.065 0.000 1.158 220 A CA 1.971 53.950 52.037 -0.096 0.000 0.661 220 A CB -0.653 18.187 19.000 -0.267 0.000 0.801 220 A HN 0.573 nan 8.150 nan 0.000 0.452 221 S N -0.859 114.806 115.700 -0.058 0.000 2.377 221 S HA -0.056 4.439 4.470 0.042 0.000 0.223 221 S C 2.035 176.629 174.600 -0.010 0.000 1.030 221 S CA 1.339 59.515 58.200 -0.040 0.000 0.970 221 S CB -0.373 62.801 63.200 -0.045 0.000 0.830 221 S HN 0.552 nan 8.310 nan 0.000 0.473 222 M N 0.475 120.080 119.600 0.008 0.000 2.254 222 M HA 0.087 4.592 4.480 0.042 0.000 0.265 222 M C 1.939 178.260 176.300 0.034 0.000 1.066 222 M CA 1.121 56.437 55.300 0.027 0.000 1.123 222 M CB -0.386 32.246 32.600 0.053 0.000 1.388 222 M HN 0.330 nan 8.290 nan 0.000 0.425 223 I N 0.216 120.807 120.570 0.034 0.000 2.252 223 I HA -0.193 4.003 4.170 0.042 0.000 0.245 223 I C 2.647 178.781 176.117 0.029 0.000 1.102 223 I CA 1.026 62.348 61.300 0.038 0.000 1.385 223 I CB -0.443 37.583 38.000 0.043 0.000 1.064 223 I HN 0.223 nan 8.210 nan 0.000 0.414 224 A N 0.665 123.497 122.820 0.020 0.000 2.015 224 A HA -0.153 4.192 4.320 0.042 0.000 0.219 224 A C 2.099 179.692 177.584 0.015 0.000 1.163 224 A CA 1.342 53.390 52.037 0.019 0.000 0.646 224 A CB -0.294 18.713 19.000 0.011 0.000 0.806 224 A HN 0.372 nan 8.150 nan 0.000 0.448 225 K N -0.976 119.432 120.400 0.013 0.000 2.374 225 K HA 0.170 4.516 4.320 0.042 0.000 0.196 225 K C 0.281 176.891 176.600 0.018 0.000 1.023 225 K CA 0.225 56.520 56.287 0.012 0.000 1.103 225 K CB 0.303 32.807 32.500 0.008 0.000 0.848 225 K HN 0.370 nan 8.250 nan 0.000 0.528 226 N N -0.224 118.490 118.700 0.023 0.000 2.149 226 N HA -0.015 4.750 4.740 0.042 0.000 0.229 226 N C 1.241 176.767 175.510 0.026 0.000 1.284 226 N CA 0.032 53.099 53.050 0.027 0.000 0.864 226 N CB 0.337 38.847 38.487 0.038 0.000 1.169 226 N HN -0.026 nan 8.380 nan 0.000 0.478 227 L N 2.893 124.131 121.223 0.025 0.000 1.990 227 L HA -0.092 4.274 4.340 0.042 0.000 0.213 227 L C 2.085 178.963 176.870 0.014 0.000 1.072 227 L CA 1.986 56.838 54.840 0.020 0.000 0.755 227 L CB -0.476 41.594 42.059 0.018 0.000 0.889 227 L HN -0.034 nan 8.230 nan 0.000 0.432 228 K N -1.164 119.243 120.400 0.012 0.000 2.009 228 K HA -0.180 4.165 4.320 0.042 0.000 0.210 228 K C 1.955 178.560 176.600 0.009 0.000 1.049 228 K CA 2.187 58.478 56.287 0.008 0.000 0.929 228 K CB -0.699 31.806 32.500 0.007 0.000 0.714 228 K HN 0.432 nan 8.250 nan 0.000 0.440 229 T N 1.234 115.796 114.554 0.012 0.000 2.699 229 T HA -0.179 4.196 4.350 0.042 0.000 0.268 229 T C 1.908 176.616 174.700 0.014 0.000 1.036 229 T CA 1.563 63.671 62.100 0.013 0.000 1.147 229 T CB -0.251 68.626 68.868 0.015 0.000 0.862 229 T HN 0.378 nan 8.240 nan 0.000 0.446 230 A N 0.023 122.853 122.820 0.016 0.000 2.019 230 A HA -0.087 4.259 4.320 0.042 0.000 0.219 230 A C 2.610 180.200 177.584 0.010 0.000 1.164 230 A CA 1.268 53.315 52.037 0.017 0.000 0.644 230 A CB -1.042 17.971 19.000 0.021 0.000 0.805 230 A HN 0.638 nan 8.150 nan 0.000 0.449 231 C N -0.635 118.669 119.300 0.007 0.000 2.492 231 C HA 0.029 4.515 4.460 0.042 0.000 0.279 231 C C 1.699 176.691 174.990 0.003 0.000 1.335 231 C CA 0.724 59.743 59.018 0.002 0.000 1.734 231 C CB -0.742 26.997 27.740 -0.002 0.000 2.027 231 C HN 0.578 nan 8.230 nan 0.000 0.496 232 D N 0.418 120.821 120.400 0.005 0.000 2.340 232 D HA 0.050 4.715 4.640 0.042 0.000 0.220 232 D C 0.394 176.699 176.300 0.007 0.000 1.039 232 D CA 0.859 54.862 54.000 0.005 0.000 0.866 232 D CB -0.195 40.608 40.800 0.005 0.000 0.913 232 D HN 0.440 nan 8.370 nan 0.000 0.523 233 N N -0.297 118.409 118.700 0.009 0.000 3.153 233 N HA 0.028 4.793 4.740 0.042 0.000 0.208 233 N C 0.859 176.378 175.510 0.014 0.000 1.462 233 N CA -0.130 52.927 53.050 0.012 0.000 0.754 233 N CB 0.414 38.908 38.487 0.012 0.000 1.558 233 N HN -0.057 nan 8.380 nan 0.000 0.605 234 G N 0.951 109.759 108.800 0.013 0.000 2.564 234 G HA2 -0.222 3.763 3.960 0.042 0.000 0.216 234 G HA3 -0.222 3.763 3.960 0.042 0.000 0.216 234 G C 1.168 176.079 174.900 0.019 0.000 1.124 234 G CA 0.802 45.911 45.100 0.015 0.000 0.764 234 G HN 0.357 nan 8.290 nan 0.000 0.550 235 K N -0.012 120.400 120.400 0.019 0.000 2.379 235 K HA 0.121 4.467 4.320 0.042 0.000 0.194 235 K C 0.527 177.140 176.600 0.021 0.000 1.031 235 K CA -0.107 56.192 56.287 0.021 0.000 1.037 235 K CB 0.296 32.808 32.500 0.019 0.000 0.824 235 K HN 0.196 nan 8.250 nan 0.000 0.516 236 D N 1.014 121.427 120.400 0.021 0.000 2.385 236 D HA -0.038 4.628 4.640 0.042 0.000 0.260 236 D C 1.006 177.322 176.300 0.027 0.000 1.326 236 D CA 0.111 54.124 54.000 0.022 0.000 1.023 236 D CB 0.279 41.091 40.800 0.020 0.000 1.083 236 D HN -0.140 nan 8.370 nan 0.000 0.517 237 M N 4.127 123.743 119.600 0.028 0.000 2.082 237 M HA -0.115 4.390 4.480 0.042 0.000 0.258 237 M C -0.751 175.573 176.300 0.041 0.000 1.069 237 M CA 1.490 56.810 55.300 0.033 0.000 1.102 237 M CB -2.006 30.613 32.600 0.031 0.000 1.336 237 M HN 0.355 nan 8.290 nan 0.000 0.404 238 P HA -0.121 nan 4.420 nan 0.000 0.216 238 P C 1.268 178.598 177.300 0.051 0.000 1.150 238 P CA 2.145 65.271 63.100 0.044 0.000 0.843 238 P CB -0.180 31.540 31.700 0.032 0.000 0.787 239 A N -0.576 122.270 122.820 0.042 0.000 1.897 239 A HA -0.166 4.180 4.320 0.042 0.000 0.215 239 A C 2.240 179.855 177.584 0.052 0.000 1.181 239 A CA 1.237 53.300 52.037 0.043 0.000 0.620 239 A CB -0.816 18.203 19.000 0.032 0.000 0.821 239 A HN -0.028 nan 8.150 nan 0.000 0.443 240 R N -0.194 120.334 120.500 0.047 0.000 2.081 240 R HA -0.134 4.231 4.340 0.042 0.000 0.235 240 R C 2.056 178.391 176.300 0.058 0.000 1.131 240 R CA 1.667 57.795 56.100 0.046 0.000 0.960 240 R CB -0.778 29.543 30.300 0.035 0.000 0.856 240 R HN 0.838 nan 8.270 nan 0.000 0.436 241 E N 0.355 120.599 120.200 0.073 0.000 2.106 241 E HA -0.090 4.286 4.350 0.042 0.000 0.192 241 E C 1.853 178.571 176.600 0.197 0.000 0.984 241 E CA 0.962 57.425 56.400 0.106 0.000 0.806 241 E CB 0.018 29.797 29.700 0.133 0.000 0.750 241 E HN 0.280 nan 8.360 nan 0.000 0.458 242 A N 1.117 124.035 122.820 0.163 0.000 1.865 242 A HA -0.198 4.147 4.320 0.042 0.000 0.217 242 A C 2.167 179.853 177.584 0.170 0.000 1.191 242 A CA 1.695 53.833 52.037 0.169 0.000 0.623 242 A CB -0.443 18.613 19.000 0.094 0.000 0.826 242 A HN 0.292 nan 8.150 nan 0.000 0.444 243 M N -0.412 119.258 119.600 0.117 0.000 2.279 243 M HA -0.070 4.435 4.480 0.042 0.000 0.264 243 M C 2.404 178.774 176.300 0.117 0.000 1.062 243 M CA 1.257 56.620 55.300 0.104 0.000 1.099 243 M CB -1.541 31.101 32.600 0.070 0.000 1.394 243 M HN 0.518 nan 8.290 nan 0.000 0.426 244 A N -0.568 122.309 122.820 0.094 0.000 1.845 244 A HA -0.186 4.159 4.320 0.042 0.000 0.215 244 A C 1.987 179.611 177.584 0.066 0.000 1.195 244 A CA 1.398 53.455 52.037 0.033 0.000 0.616 244 A CB -1.082 17.868 19.000 -0.083 0.000 0.832 244 A HN 0.396 nan 8.150 nan 0.000 0.443 245 Y N 0.020 120.371 120.300 0.085 0.000 2.181 245 Y HA -0.125 4.463 4.550 0.064 0.000 0.288 245 Y C 2.947 178.951 175.900 0.173 0.000 1.146 245 Y CA 1.090 59.255 58.100 0.107 0.000 1.164 245 Y CB -0.554 37.943 38.460 0.061 0.000 0.982 245 Y HN 0.338 nan 8.280 nan 0.000 0.515 246 A N 0.387 123.383 122.820 0.293 0.000 1.877 246 A HA -0.296 4.049 4.320 0.042 0.000 0.216 246 A C 2.138 179.856 177.584 0.224 0.000 1.186 246 A CA 1.972 54.139 52.037 0.217 0.000 0.620 246 A CB -0.852 18.236 19.000 0.148 0.000 0.822 246 A HN 0.573 nan 8.150 nan 0.000 0.443 247 Q N -1.624 118.307 119.800 0.219 0.000 2.224 247 Q HA -0.099 4.266 4.340 0.042 0.000 0.203 247 Q C 1.653 177.826 176.000 0.289 0.000 0.970 247 Q CA 1.920 57.863 55.803 0.234 0.000 0.865 247 Q CB -0.809 28.047 28.738 0.196 0.000 0.922 247 Q HN 0.554 nan 8.270 nan 0.000 0.445 248 F N 0.537 120.572 119.950 0.141 0.000 2.163 248 F HA 0.092 4.649 4.527 0.051 0.000 0.297 248 F C 1.624 177.509 175.800 0.142 0.000 1.094 248 F CA 0.946 59.017 58.000 0.118 0.000 1.290 248 F CB 0.024 39.070 39.000 0.076 0.000 1.017 248 F HN 0.079 nan 8.300 nan 0.000 0.483 249 L N -0.142 121.282 121.223 0.335 0.000 2.083 249 L HA -0.201 4.165 4.340 0.042 0.000 0.209 249 L C 2.702 179.664 176.870 0.152 0.000 1.083 249 L CA 1.224 56.203 54.840 0.231 0.000 0.752 249 L CB -0.962 41.236 42.059 0.233 0.000 0.899 249 L HN 0.221 nan 8.230 nan 0.000 0.433 250 A N -0.181 122.759 122.820 0.201 0.000 2.015 250 A HA -0.075 4.270 4.320 0.042 0.000 0.219 250 A C 2.345 180.130 177.584 0.334 0.000 1.163 250 A CA 1.494 53.696 52.037 0.275 0.000 0.646 250 A CB -0.975 18.222 19.000 0.327 0.000 0.806 250 A HN 0.452 nan 8.150 nan 0.000 0.448 251 G N -0.703 108.182 108.800 0.141 0.000 2.394 251 G HA2 -0.141 3.844 3.960 0.042 0.000 0.215 251 G HA3 -0.141 3.844 3.960 0.042 0.000 0.215 251 G C 1.576 176.188 174.900 -0.480 0.000 1.165 251 G CA 0.934 45.903 45.100 -0.218 0.000 0.784 251 G HN 0.448 nan 8.290 nan 0.000 0.535 252 M N 0.815 120.207 119.600 -0.345 0.000 2.267 252 M HA -0.008 4.498 4.480 0.042 0.000 0.263 252 M C 2.844 179.098 176.300 -0.078 0.000 1.063 252 M CA 1.285 56.455 55.300 -0.217 0.000 1.090 252 M CB -0.088 32.553 32.600 0.069 0.000 1.392 252 M HN 0.355 nan 8.290 nan 0.000 0.422 253 A N 0.403 123.227 122.820 0.007 0.000 1.850 253 A HA -0.080 4.265 4.320 0.042 0.000 0.212 253 A C 1.831 179.461 177.584 0.077 0.000 1.208 253 A CA 0.990 53.089 52.037 0.103 0.000 0.609 253 A CB -0.882 18.226 19.000 0.181 0.000 0.860 253 A HN 0.591 nan 8.150 nan 0.000 0.448 254 F N 0.905 120.846 119.950 -0.014 0.000 2.407 254 F HA -0.001 4.551 4.527 0.041 0.000 0.299 254 F C 1.497 177.320 175.800 0.039 0.000 1.097 254 F CA 1.303 59.286 58.000 -0.029 0.000 1.422 254 F CB -0.742 38.170 39.000 -0.146 0.000 1.067 254 F HN 0.234 nan 8.300 nan 0.000 0.539 255 N N 0.951 119.222 118.700 -0.714 0.000 2.289 255 N HA -0.192 4.574 4.740 0.042 0.000 0.184 255 N C 1.178 176.525 175.510 -0.271 0.000 1.016 255 N CA 1.764 54.473 53.050 -0.569 0.000 0.872 255 N CB -0.374 37.634 38.487 -0.799 0.000 0.973 255 N HN 0.418 nan 8.380 nan 0.000 0.433 256 N N -1.080 117.500 118.700 -0.200 0.000 2.397 256 N HA 0.162 4.927 4.740 0.042 0.000 0.190 256 N C 0.730 176.268 175.510 0.047 0.000 1.099 256 N CA 0.687 53.685 53.050 -0.086 0.000 0.876 256 N CB 0.214 38.568 38.487 -0.221 0.000 1.143 256 N HN 0.251 nan 8.380 nan 0.000 0.468 257 A N 0.196 123.061 122.820 0.074 0.000 2.220 257 A HA 0.359 4.704 4.320 0.042 0.000 0.211 257 A C 0.846 178.496 177.584 0.110 0.000 1.176 257 A CA 0.272 52.364 52.037 0.091 0.000 0.834 257 A CB 0.298 19.353 19.000 0.092 0.000 0.868 257 A HN 0.107 nan 8.150 nan 0.000 0.488 258 S N -2.718 113.077 115.700 0.158 0.000 3.833 258 S HA -0.140 4.355 4.470 0.042 0.000 0.638 258 S C 0.026 174.696 174.600 0.117 0.000 1.967 258 S CA 0.682 58.976 58.200 0.157 0.000 2.145 258 S CB -1.288 61.971 63.200 0.098 0.000 0.329 258 S HN 0.685 nan 8.310 nan 0.000 1.786 259 L N -0.003 121.234 121.223 0.023 0.000 2.867 259 L HA 0.887 5.252 4.340 0.042 0.000 0.235 259 L C 1.265 178.146 176.870 0.019 0.000 2.007 259 L CA -0.178 54.645 54.840 -0.028 0.000 2.313 259 L CB 0.515 42.430 42.059 -0.239 0.000 2.475 259 L HN 0.918 nan 8.230 nan 0.000 0.585 260 G N -2.491 106.338 108.800 0.049 0.000 2.871 260 G HA2 0.224 4.210 3.960 0.042 0.000 0.282 260 G HA3 0.224 4.210 3.960 0.042 0.000 0.282 260 G C -0.500 174.533 174.900 0.221 0.000 1.212 260 G CA -0.225 44.933 45.100 0.096 0.000 0.812 260 G HN 0.203 nan 8.290 nan 0.000 0.547 261 Y N 0.184 120.512 120.300 0.047 0.000 2.274 261 Y HA -0.073 4.501 4.550 0.042 0.000 0.290 261 Y C 3.150 179.030 175.900 -0.033 0.000 1.145 261 Y CA 1.025 59.126 58.100 0.000 0.000 1.203 261 Y CB -0.854 37.607 38.460 0.001 0.000 0.984 261 Y HN 0.061 nan 8.280 nan 0.000 0.533 262 V N -0.502 119.518 119.914 0.178 0.000 2.255 262 V HA -0.332 3.813 4.120 0.042 0.000 0.247 262 V C 2.058 178.157 176.094 0.008 0.000 1.051 262 V CA 2.447 64.790 62.300 0.073 0.000 1.018 262 V CB -0.753 31.135 31.823 0.108 0.000 0.641 262 V HN 0.346 nan 8.190 nan 0.000 0.445 263 H N -0.150 118.893 119.070 -0.047 0.000 2.470 263 H HA 0.180 4.760 4.556 0.041 0.000 0.289 263 H C 2.190 177.304 175.328 -0.358 0.000 1.033 263 H CA 1.122 57.047 56.048 -0.204 0.000 1.331 263 H CB -0.426 29.169 29.762 -0.277 0.000 1.414 263 H HN 0.421 nan 8.280 nan 0.000 0.545 264 A N 0.356 123.145 122.820 -0.053 0.000 1.972 264 A HA -0.182 4.163 4.320 0.042 0.000 0.219 264 A C 2.114 179.700 177.584 0.002 0.000 1.169 264 A CA 1.692 53.709 52.037 -0.033 0.000 0.635 264 A CB -0.407 18.616 19.000 0.039 0.000 0.810 264 A HN 0.329 nan 8.150 nan 0.000 0.446 265 M N -1.225 118.358 119.600 -0.029 0.000 2.276 265 M HA 0.112 4.617 4.480 0.042 0.000 0.262 265 M C 2.568 178.975 176.300 0.179 0.000 1.098 265 M CA 0.992 56.328 55.300 0.060 0.000 1.167 265 M CB -0.393 32.048 32.600 -0.264 0.000 1.337 265 M HN 0.331 nan 8.290 nan 0.000 0.446 266 A N 0.172 123.039 122.820 0.078 0.000 1.958 266 A HA -0.240 4.105 4.320 0.042 0.000 0.221 266 A C 1.760 179.459 177.584 0.191 0.000 1.178 266 A CA 1.886 53.996 52.037 0.122 0.000 0.642 266 A CB -1.634 17.396 19.000 0.051 0.000 0.816 266 A HN 0.607 nan 8.150 nan 0.000 0.453 267 H N -1.330 117.743 119.070 0.006 0.000 2.518 267 H HA -0.092 4.489 4.556 0.042 0.000 0.289 267 H C 1.880 177.237 175.328 0.048 0.000 1.051 267 H CA 0.861 56.883 56.048 -0.043 0.000 1.280 267 H CB 0.238 29.979 29.762 -0.037 0.000 1.380 267 H HN 0.499 nan 8.280 nan 0.000 0.566 268 Q N 0.260 120.214 119.800 0.257 0.000 2.269 268 Q HA 0.015 4.380 4.340 0.042 0.000 0.201 268 Q C 2.271 178.405 176.000 0.223 0.000 0.946 268 Q CA 0.493 56.450 55.803 0.257 0.000 0.877 268 Q CB 0.317 29.218 28.738 0.272 0.000 0.963 268 Q HN 0.538 nan 8.270 nan 0.000 0.472 269 L N -1.052 120.324 121.223 0.256 0.000 2.307 269 L HA 0.147 4.512 4.340 0.042 0.000 0.211 269 L C 1.918 178.940 176.870 0.254 0.000 1.099 269 L CA 0.810 55.857 54.840 0.345 0.000 0.816 269 L CB -0.276 41.949 42.059 0.276 0.000 0.952 269 L HN 0.145 nan 8.230 nan 0.000 0.455 270 G N -0.637 108.255 108.800 0.153 0.000 2.985 270 G HA2 0.159 4.144 3.960 0.042 0.000 0.209 270 G HA3 0.159 4.144 3.960 0.042 0.000 0.209 270 G C 1.145 176.061 174.900 0.027 0.000 1.165 270 G CA 0.621 45.770 45.100 0.081 0.000 0.776 270 G HN 0.428 nan 8.290 nan 0.000 0.541 271 G N -0.161 108.656 108.800 0.028 0.000 2.710 271 G HA2 0.102 4.087 3.960 0.042 0.000 0.215 271 G HA3 0.102 4.087 3.960 0.042 0.000 0.215 271 G C 1.188 176.041 174.900 -0.078 0.000 1.345 271 G CA -0.001 45.066 45.100 -0.055 0.000 0.812 271 G HN 0.158 nan 8.290 nan 0.000 0.606 272 Y N 0.191 120.418 120.300 -0.121 0.000 2.315 272 Y HA -0.064 4.511 4.550 0.043 0.000 0.288 272 Y C 2.159 177.826 175.900 -0.388 0.000 1.154 272 Y CA 1.413 59.328 58.100 -0.308 0.000 1.229 272 Y CB 0.002 38.161 38.460 -0.501 0.000 0.980 272 Y HN 0.297 nan 8.280 nan 0.000 0.540 273 Y N -1.714 118.647 120.300 0.102 0.000 2.430 273 Y HA 0.146 4.721 4.550 0.042 0.000 0.248 273 Y C 1.133 177.044 175.900 0.018 0.000 1.108 273 Y CA -0.240 57.882 58.100 0.038 0.000 1.264 273 Y CB -0.286 38.190 38.460 0.025 0.000 1.172 273 Y HN 0.073 nan 8.280 nan 0.000 0.520 274 N N 0.415 119.197 118.700 0.137 0.000 2.735 274 N HA -0.207 4.558 4.740 0.042 0.000 0.248 274 N C -1.078 174.483 175.510 0.085 0.000 1.083 274 N CA 0.281 53.380 53.050 0.080 0.000 0.703 274 N CB -1.386 37.138 38.487 0.061 0.000 1.005 274 N HN 0.285 nan 8.380 nan 0.000 0.550 275 L N 0.246 121.537 121.223 0.113 0.000 2.439 275 L HA 0.461 4.826 4.340 0.042 0.000 0.261 275 L C -1.389 175.526 176.870 0.074 0.000 1.153 275 L CA -1.795 53.095 54.840 0.083 0.000 0.808 275 L CB 0.395 42.506 42.059 0.087 0.000 1.126 275 L HN 0.099 nan 8.230 nan 0.000 0.460 276 P HA -0.059 nan 4.420 nan 0.000 0.266 276 P C 0.211 177.583 177.300 0.120 0.000 1.215 276 P CA 0.329 63.470 63.100 0.069 0.000 0.763 276 P CB 0.416 32.134 31.700 0.030 0.000 0.806 277 H N 3.661 122.745 119.070 0.023 0.000 2.289 277 H HA -0.203 4.378 4.556 0.041 0.000 0.296 277 H C 2.088 177.411 175.328 -0.009 0.000 1.091 277 H CA 1.688 57.755 56.048 0.031 0.000 1.274 277 H CB -0.393 29.409 29.762 0.068 0.000 1.364 277 H HN 0.562 nan 8.280 nan 0.000 0.490 278 G N 0.463 109.248 108.800 -0.026 0.000 2.599 278 G HA2 -0.373 3.612 3.960 0.042 0.000 0.219 278 G HA3 -0.373 3.612 3.960 0.042 0.000 0.219 278 G C 1.850 176.687 174.900 -0.103 0.000 1.193 278 G CA 2.550 47.567 45.100 -0.139 0.000 0.778 278 G HN 0.506 nan 8.290 nan 0.000 0.589 279 V N -1.043 118.842 119.914 -0.047 0.000 2.358 279 V HA -0.192 3.953 4.120 0.042 0.000 0.246 279 V C 2.773 178.843 176.094 -0.039 0.000 1.047 279 V CA 1.880 64.153 62.300 -0.045 0.000 1.035 279 V CB -1.476 30.327 31.823 -0.034 0.000 0.658 279 V HN 0.429 nan 8.190 nan 0.000 0.452 280 C N 1.142 120.439 119.300 -0.004 0.000 2.398 280 C HA -0.196 4.290 4.460 0.042 0.000 0.276 280 C C 2.739 177.715 174.990 -0.023 0.000 1.222 280 C CA 2.154 61.179 59.018 0.011 0.000 1.746 280 C CB -2.034 25.753 27.740 0.078 0.000 2.039 280 C HN 0.739 nan 8.230 nan 0.000 0.470 281 N N 0.685 119.346 118.700 -0.065 0.000 2.084 281 N HA -0.106 4.659 4.740 0.042 0.000 0.190 281 N C 1.930 177.369 175.510 -0.117 0.000 1.030 281 N CA 1.281 54.239 53.050 -0.152 0.000 0.849 281 N CB -0.248 38.040 38.487 -0.332 0.000 1.012 281 N HN 0.523 nan 8.380 nan 0.000 0.423 282 A N 0.716 123.469 122.820 -0.111 0.000 1.873 282 A HA -0.180 4.166 4.320 0.042 0.000 0.218 282 A C 2.358 179.891 177.584 -0.084 0.000 1.193 282 A CA 1.798 53.778 52.037 -0.095 0.000 0.629 282 A CB -1.167 17.784 19.000 -0.083 0.000 0.826 282 A HN 0.252 nan 8.150 nan 0.000 0.447 283 V N -0.959 118.917 119.914 -0.064 0.000 2.515 283 V HA -0.106 4.039 4.120 0.042 0.000 0.250 283 V C 2.132 178.216 176.094 -0.016 0.000 1.058 283 V CA 2.184 64.456 62.300 -0.046 0.000 1.064 283 V CB -0.250 31.554 31.823 -0.033 0.000 0.675 283 V HN 0.464 nan 8.190 nan 0.000 0.461 284 L N -0.448 120.769 121.223 -0.011 0.000 2.492 284 L HA 0.171 4.536 4.340 0.042 0.000 0.223 284 L C 1.832 178.693 176.870 -0.015 0.000 1.132 284 L CA 1.465 56.323 54.840 0.029 0.000 0.850 284 L CB -0.372 41.686 42.059 -0.002 0.000 0.966 284 L HN 0.442 nan 8.230 nan 0.000 0.454 285 L N 1.452 122.626 121.223 -0.082 0.000 1.961 285 L HA -0.032 4.333 4.340 0.042 0.000 0.210 285 L C -0.549 176.210 176.870 -0.185 0.000 1.072 285 L CA 2.074 56.840 54.840 -0.124 0.000 0.749 285 L CB -1.871 40.096 42.059 -0.153 0.000 0.889 285 L HN 0.192 nan 8.230 nan 0.000 0.432 286 P HA -0.220 nan 4.420 nan 0.000 0.220 286 P C 0.973 178.113 177.300 -0.267 0.000 1.144 286 P CA 1.815 64.723 63.100 -0.319 0.000 0.800 286 P CB -0.402 31.075 31.700 -0.372 0.000 0.772 287 H N -0.766 118.271 119.070 -0.055 0.000 2.415 287 H HA 0.054 4.636 4.556 0.042 0.000 0.297 287 H C 2.121 177.453 175.328 0.007 0.000 1.048 287 H CA 0.809 56.843 56.048 -0.022 0.000 1.365 287 H CB -0.688 29.057 29.762 -0.029 0.000 1.421 287 H HN 0.013 nan 8.280 nan 0.000 0.533 288 V N 1.390 121.366 119.914 0.104 0.000 2.667 288 V HA -0.154 3.992 4.120 0.042 0.000 0.252 288 V C 2.696 178.879 176.094 0.148 0.000 1.065 288 V CA 0.800 63.180 62.300 0.133 0.000 1.083 288 V CB -0.503 31.381 31.823 0.102 0.000 0.692 288 V HN 0.218 nan 8.190 nan 0.000 0.468 289 L N 0.332 121.570 121.223 0.024 0.000 2.017 289 L HA -0.140 4.225 4.340 0.042 0.000 0.208 289 L C 2.789 179.683 176.870 0.039 0.000 1.073 289 L CA 1.674 56.503 54.840 -0.018 0.000 0.745 289 L CB -0.837 41.107 42.059 -0.192 0.000 0.894 289 L HN 0.356 nan 8.230 nan 0.000 0.432 290 A N -0.804 122.045 122.820 0.048 0.000 1.978 290 A HA -0.296 4.049 4.320 0.042 0.000 0.220 290 A C 2.172 179.828 177.584 0.120 0.000 1.170 290 A CA 1.704 53.784 52.037 0.072 0.000 0.636 290 A CB -0.853 18.198 19.000 0.085 0.000 0.810 290 A HN 0.505 nan 8.150 nan 0.000 0.448 291 Y N 1.420 121.741 120.300 0.034 0.000 2.133 291 Y HA -0.166 4.409 4.550 0.042 0.000 0.287 291 Y C 1.888 177.805 175.900 0.028 0.000 1.134 291 Y CA 2.100 60.226 58.100 0.043 0.000 1.133 291 Y CB -0.265 38.237 38.460 0.069 0.000 0.987 291 Y HN 0.329 nan 8.280 nan 0.000 0.502 292 N N 0.537 119.214 118.700 -0.037 0.000 2.512 292 N HA -0.036 4.730 4.740 0.042 0.000 0.183 292 N C 1.783 177.238 175.510 -0.092 0.000 1.073 292 N CA 0.885 53.847 53.050 -0.146 0.000 0.911 292 N CB -0.480 37.990 38.487 -0.027 0.000 0.964 292 N HN 0.508 nan 8.380 nan 0.000 0.447 293 A N 0.819 123.616 122.820 -0.038 0.000 2.076 293 A HA -0.165 4.180 4.320 0.042 0.000 0.220 293 A C 2.339 179.902 177.584 -0.036 0.000 1.160 293 A CA 1.792 53.822 52.037 -0.011 0.000 0.653 293 A CB -0.584 18.423 19.000 0.012 0.000 0.801 293 A HN 0.438 nan 8.150 nan 0.000 0.455 294 S N -0.928 114.723 115.700 -0.082 0.000 2.428 294 S HA -0.049 4.446 4.470 0.042 0.000 0.230 294 S C 1.549 176.104 174.600 -0.076 0.000 1.014 294 S CA 1.371 59.524 58.200 -0.079 0.000 0.957 294 S CB -0.395 62.738 63.200 -0.112 0.000 0.784 294 S HN 0.271 nan 8.310 nan 0.000 0.499 295 V N 1.277 121.132 119.914 -0.097 0.000 2.795 295 V HA 0.184 4.329 4.120 0.042 0.000 0.243 295 V C 1.620 177.686 176.094 -0.047 0.000 1.069 295 V CA 0.917 63.169 62.300 -0.079 0.000 1.089 295 V CB 0.506 32.262 31.823 -0.112 0.000 0.756 295 V HN 0.614 nan 8.190 nan 0.000 0.471 296 V N -2.360 117.535 119.914 -0.032 0.000 2.915 296 V HA 0.653 4.799 4.120 0.042 0.000 0.364 296 V C 1.617 177.736 176.094 0.041 0.000 1.354 296 V CA 0.198 62.501 62.300 0.005 0.000 1.213 296 V CB -0.214 31.617 31.823 0.014 0.000 1.268 296 V HN 0.186 nan 8.190 nan 0.000 0.557 297 A N 1.844 124.680 122.820 0.027 0.000 1.927 297 A HA -0.069 4.276 4.320 0.042 0.000 0.220 297 A C 2.287 179.909 177.584 0.063 0.000 1.185 297 A CA 2.549 54.611 52.037 0.043 0.000 0.639 297 A CB -1.162 17.852 19.000 0.024 0.000 0.820 297 A HN 0.941 nan 8.150 nan 0.000 0.451 298 G N -0.845 107.987 108.800 0.053 0.000 2.418 298 G HA2 -0.232 3.753 3.960 0.042 0.000 0.217 298 G HA3 -0.232 3.753 3.960 0.042 0.000 0.217 298 G C 1.754 176.720 174.900 0.110 0.000 1.158 298 G CA 0.915 46.054 45.100 0.064 0.000 0.771 298 G HN 0.605 nan 8.290 nan 0.000 0.545 299 R N -0.260 120.322 120.500 0.137 0.000 2.115 299 R HA 0.171 4.536 4.340 0.042 0.000 0.226 299 R C 2.553 179.039 176.300 0.310 0.000 1.100 299 R CA 0.455 56.723 56.100 0.281 0.000 0.980 299 R CB -0.342 30.060 30.300 0.170 0.000 0.875 299 R HN 0.330 nan 8.270 nan 0.000 0.445 300 L N 0.793 122.148 121.223 0.220 0.000 2.056 300 L HA -0.161 4.205 4.340 0.042 0.000 0.207 300 L C 2.624 179.586 176.870 0.154 0.000 1.078 300 L CA 1.326 56.311 54.840 0.241 0.000 0.749 300 L CB -0.450 41.740 42.059 0.219 0.000 0.901 300 L HN 0.162 nan 8.230 nan 0.000 0.433 301 K N 0.316 120.781 120.400 0.108 0.000 2.057 301 K HA -0.210 4.135 4.320 0.042 0.000 0.207 301 K C 1.682 178.293 176.600 0.019 0.000 1.049 301 K CA 1.753 58.078 56.287 0.063 0.000 0.931 301 K CB -0.014 32.517 32.500 0.053 0.000 0.714 301 K HN 0.261 nan 8.250 nan 0.000 0.440 302 D N 0.353 120.766 120.400 0.022 0.000 2.158 302 D HA -0.161 4.505 4.640 0.042 0.000 0.197 302 D C 1.933 178.103 176.300 -0.216 0.000 0.995 302 D CA 1.222 55.189 54.000 -0.055 0.000 0.846 302 D CB -0.150 40.669 40.800 0.031 0.000 0.941 302 D HN 0.093 nan 8.370 nan 0.000 0.456 303 V N 1.008 120.745 119.914 -0.294 0.000 2.427 303 V HA -0.121 4.025 4.120 0.042 0.000 0.248 303 V C 2.611 178.572 176.094 -0.223 0.000 1.051 303 V CA 1.867 63.901 62.300 -0.443 0.000 1.048 303 V CB -0.973 30.435 31.823 -0.692 0.000 0.666 303 V HN 0.219 nan 8.190 nan 0.000 0.456 304 G N 0.078 108.841 108.800 -0.061 0.000 2.440 304 G HA2 -0.211 3.775 3.960 0.042 0.000 0.218 304 G HA3 -0.211 3.775 3.960 0.042 0.000 0.218 304 G C 1.676 176.559 174.900 -0.029 0.000 1.154 304 G CA 1.270 46.376 45.100 0.008 0.000 0.767 304 G HN 0.371 nan 8.290 nan 0.000 0.552 305 V N 1.654 121.540 119.914 -0.047 0.000 2.287 305 V HA -0.178 3.967 4.120 0.042 0.000 0.248 305 V C 3.350 179.406 176.094 -0.064 0.000 1.053 305 V CA 2.104 64.377 62.300 -0.045 0.000 1.027 305 V CB -0.960 30.837 31.823 -0.042 0.000 0.646 305 V HN 0.481 nan 8.190 nan 0.000 0.447 306 A N -0.664 122.089 122.820 -0.111 0.000 1.978 306 A HA -0.213 4.133 4.320 0.042 0.000 0.220 306 A C 2.132 179.664 177.584 -0.086 0.000 1.170 306 A CA 2.045 54.011 52.037 -0.118 0.000 0.636 306 A CB -0.544 18.340 19.000 -0.194 0.000 0.810 306 A HN 0.547 nan 8.150 nan 0.000 0.448 307 M N -1.377 118.177 119.600 -0.077 0.000 2.659 307 M HA 0.122 4.627 4.480 0.042 0.000 0.243 307 M C 1.454 177.744 176.300 -0.017 0.000 1.111 307 M CA 0.874 56.151 55.300 -0.037 0.000 1.070 307 M CB 0.058 32.653 32.600 -0.007 0.000 1.525 307 M HN 0.658 nan 8.290 nan 0.000 0.517 308 G N 0.281 109.068 108.800 -0.022 0.000 2.213 308 G HA2 -0.197 3.789 3.960 0.042 0.000 0.226 308 G HA3 -0.197 3.789 3.960 0.042 0.000 0.226 308 G C -0.144 174.753 174.900 -0.006 0.000 0.992 308 G CA -0.616 44.477 45.100 -0.012 0.000 0.632 308 G HN 0.255 nan 8.290 nan 0.000 0.511 309 L N 1.912 123.133 121.223 -0.002 0.000 2.416 309 L HA 0.399 4.765 4.340 0.042 0.000 0.272 309 L C 0.639 177.509 176.870 -0.000 0.000 1.161 309 L CA 0.003 54.845 54.840 0.003 0.000 0.845 309 L CB 0.937 43.003 42.059 0.012 0.000 1.119 309 L HN 0.174 nan 8.230 nan 0.000 0.464 310 D N 4.365 124.767 120.400 0.002 0.000 2.767 310 D HA 0.134 4.799 4.640 0.042 0.000 0.241 310 D C 0.604 176.907 176.300 0.004 0.000 1.187 310 D CA 0.010 54.011 54.000 0.001 0.000 0.999 310 D CB 0.256 41.057 40.800 0.001 0.000 1.042 310 D HN 0.564 nan 8.370 nan 0.000 0.510 311 I N -1.700 118.873 120.570 0.005 0.000 3.936 311 I HA 0.345 4.541 4.170 0.042 0.000 0.330 311 I C 1.610 177.733 176.117 0.009 0.000 1.509 311 I CA -0.562 60.744 61.300 0.010 0.000 1.126 311 I CB 0.582 38.591 38.000 0.015 0.000 1.115 311 I HN -0.020 nan 8.210 nan 0.000 0.424 312 A N 2.438 125.261 122.820 0.005 0.000 1.917 312 A HA -0.174 4.171 4.320 0.042 0.000 0.219 312 A C 1.743 179.333 177.584 0.009 0.000 1.182 312 A CA 1.914 53.955 52.037 0.006 0.000 0.633 312 A CB -0.573 18.428 19.000 0.002 0.000 0.819 312 A HN 0.617 nan 8.150 nan 0.000 0.448 313 N N -0.554 118.151 118.700 0.008 0.000 2.235 313 N HA 0.244 5.010 4.740 0.042 0.000 0.209 313 N C -0.117 175.399 175.510 0.009 0.000 1.122 313 N CA 0.020 53.074 53.050 0.008 0.000 0.845 313 N CB 0.272 38.763 38.487 0.006 0.000 1.004 313 N HN 0.411 nan 8.380 nan 0.000 0.499 314 L N 0.257 121.487 121.223 0.011 0.000 2.439 314 L HA 0.333 4.698 4.340 0.042 0.000 0.261 314 L C 1.301 178.179 176.870 0.014 0.000 1.153 314 L CA -0.686 54.161 54.840 0.012 0.000 0.808 314 L CB 0.567 42.634 42.059 0.014 0.000 1.126 314 L HN 0.045 nan 8.230 nan 0.000 0.460 315 G N 0.083 108.891 108.800 0.013 0.000 2.491 315 G HA2 -0.025 3.960 3.960 0.042 0.000 0.238 315 G HA3 -0.025 3.960 3.960 0.042 0.000 0.238 315 G C 0.418 175.329 174.900 0.018 0.000 1.277 315 G CA -0.401 44.707 45.100 0.014 0.000 0.851 315 G HN 0.760 nan 8.290 nan 0.000 0.573 316 D N 0.567 120.978 120.400 0.019 0.000 2.116 316 D HA -0.145 4.521 4.640 0.042 0.000 0.193 316 D C 2.154 178.470 176.300 0.026 0.000 0.998 316 D CA 1.280 55.295 54.000 0.025 0.000 0.836 316 D CB 0.029 40.844 40.800 0.024 0.000 0.951 316 D HN 0.622 nan 8.370 nan 0.000 0.449 317 K N 0.711 121.123 120.400 0.019 0.000 2.063 317 K HA -0.184 4.162 4.320 0.042 0.000 0.208 317 K C 1.992 178.604 176.600 0.020 0.000 1.048 317 K CA 1.578 57.876 56.287 0.018 0.000 0.928 317 K CB 0.090 32.598 32.500 0.013 0.000 0.713 317 K HN 0.287 nan 8.250 nan 0.000 0.442 318 E N -1.246 118.966 120.200 0.019 0.000 2.216 318 E HA -0.039 4.336 4.350 0.042 0.000 0.192 318 E C 2.012 178.626 176.600 0.023 0.000 0.988 318 E CA 0.887 57.299 56.400 0.019 0.000 0.834 318 E CB -0.222 29.487 29.700 0.015 0.000 0.772 318 E HN 0.359 nan 8.360 nan 0.000 0.479 319 G N 1.640 110.456 108.800 0.026 0.000 2.418 319 G HA2 -0.226 3.760 3.960 0.042 0.000 0.217 319 G HA3 -0.226 3.760 3.960 0.042 0.000 0.217 319 G C 1.771 176.697 174.900 0.044 0.000 1.158 319 G CA 0.911 46.030 45.100 0.032 0.000 0.771 319 G HN 0.407 nan 8.290 nan 0.000 0.545 320 A N 0.686 123.534 122.820 0.048 0.000 1.898 320 A HA 0.008 4.353 4.320 0.042 0.000 0.216 320 A C 2.260 179.872 177.584 0.046 0.000 1.181 320 A CA 1.909 53.983 52.037 0.061 0.000 0.620 320 A CB -0.295 18.738 19.000 0.054 0.000 0.819 320 A HN 0.257 nan 8.150 nan 0.000 0.442 321 E N 0.166 120.384 120.200 0.031 0.000 2.077 321 E HA -0.145 4.230 4.350 0.042 0.000 0.193 321 E C 2.353 178.965 176.600 0.019 0.000 0.989 321 E CA 1.308 57.721 56.400 0.021 0.000 0.800 321 E CB -0.780 28.931 29.700 0.018 0.000 0.746 321 E HN 0.560 nan 8.360 nan 0.000 0.452 322 A N 0.820 123.655 122.820 0.025 0.000 1.883 322 A HA -0.193 4.152 4.320 0.042 0.000 0.217 322 A C 2.494 180.098 177.584 0.033 0.000 1.186 322 A CA 2.320 54.372 52.037 0.024 0.000 0.624 322 A CB -1.055 17.959 19.000 0.024 0.000 0.822 322 A HN 0.281 nan 8.150 nan 0.000 0.444 323 T N 0.472 115.058 114.554 0.054 0.000 2.652 323 T HA -0.145 4.231 4.350 0.042 0.000 0.267 323 T C 1.817 176.558 174.700 0.069 0.000 1.039 323 T CA 1.636 63.792 62.100 0.095 0.000 1.153 323 T CB -0.472 68.491 68.868 0.158 0.000 0.863 323 T HN 0.423 nan 8.240 nan 0.000 0.428 324 I N 0.919 121.501 120.570 0.019 0.000 2.208 324 I HA -0.229 3.966 4.170 0.042 0.000 0.245 324 I C 2.849 178.933 176.117 -0.055 0.000 1.097 324 I CA 1.316 62.581 61.300 -0.059 0.000 1.363 324 I CB -0.417 37.547 38.000 -0.060 0.000 1.051 324 I HN 0.214 nan 8.210 nan 0.000 0.413 325 Q N 1.267 121.053 119.800 -0.023 0.000 2.096 325 Q HA -0.182 4.184 4.340 0.042 0.000 0.204 325 Q C 2.159 178.149 176.000 -0.018 0.000 0.982 325 Q CA 2.265 58.055 55.803 -0.022 0.000 0.850 325 Q CB -0.371 28.363 28.738 -0.006 0.000 0.901 325 Q HN 0.507 nan 8.270 nan 0.000 0.422 326 A N -0.785 122.036 122.820 0.002 0.000 1.972 326 A HA -0.125 4.220 4.320 0.042 0.000 0.219 326 A C 2.229 179.815 177.584 0.005 0.000 1.169 326 A CA 1.613 53.658 52.037 0.013 0.000 0.635 326 A CB -0.657 18.367 19.000 0.039 0.000 0.810 326 A HN 0.271 nan 8.150 nan 0.000 0.446 327 V N -0.011 119.893 119.914 -0.016 0.000 2.379 327 V HA -0.224 3.921 4.120 0.042 0.000 0.245 327 V C 2.591 178.640 176.094 -0.074 0.000 1.044 327 V CA 1.995 64.264 62.300 -0.051 0.000 1.036 327 V CB -0.793 30.934 31.823 -0.160 0.000 0.664 327 V HN 0.517 nan 8.190 nan 0.000 0.453 328 R N 0.163 120.612 120.500 -0.085 0.000 2.096 328 R HA -0.143 4.222 4.340 0.042 0.000 0.235 328 R C 2.008 178.277 176.300 -0.052 0.000 1.127 328 R CA 1.663 57.712 56.100 -0.086 0.000 0.968 328 R CB -0.463 29.787 30.300 -0.083 0.000 0.861 328 R HN 0.552 nan 8.270 nan 0.000 0.440 329 D N 0.839 121.219 120.400 -0.033 0.000 2.149 329 D HA -0.122 4.543 4.640 0.042 0.000 0.201 329 D C 1.911 178.202 176.300 -0.016 0.000 0.972 329 D CA 0.689 54.677 54.000 -0.020 0.000 0.835 329 D CB -0.137 40.657 40.800 -0.010 0.000 0.966 329 D HN 0.061 nan 8.370 nan 0.000 0.476 330 L N 1.234 122.449 121.223 -0.014 0.000 2.027 330 L HA -0.023 4.343 4.340 0.042 0.000 0.206 330 L C 2.126 178.986 176.870 -0.017 0.000 1.074 330 L CA 1.685 56.520 54.840 -0.008 0.000 0.745 330 L CB -0.729 41.333 42.059 0.005 0.000 0.898 330 L HN -0.049 nan 8.230 nan 0.000 0.433 331 A N -0.716 122.085 122.820 -0.031 0.000 2.015 331 A HA 0.023 4.368 4.320 0.042 0.000 0.219 331 A C 2.336 179.900 177.584 -0.034 0.000 1.163 331 A CA 1.470 53.483 52.037 -0.039 0.000 0.646 331 A CB -0.914 18.050 19.000 -0.061 0.000 0.806 331 A HN 0.568 nan 8.150 nan 0.000 0.448 332 A N -0.044 122.758 122.820 -0.030 0.000 2.072 332 A HA 0.095 4.440 4.320 0.042 0.000 0.216 332 A C 2.285 179.860 177.584 -0.017 0.000 1.156 332 A CA 1.529 53.552 52.037 -0.023 0.000 0.701 332 A CB -0.557 18.430 19.000 -0.022 0.000 0.816 332 A HN 0.875 nan 8.150 nan 0.000 0.458 333 S N 0.138 115.829 115.700 -0.014 0.000 2.527 333 S HA 0.038 4.533 4.470 0.042 0.000 0.222 333 S C 1.433 176.027 174.600 -0.009 0.000 0.985 333 S CA 0.786 58.980 58.200 -0.009 0.000 0.921 333 S CB -0.600 62.597 63.200 -0.006 0.000 0.772 333 S HN 0.773 nan 8.310 nan 0.000 0.529 334 I N -3.207 117.355 120.570 -0.013 0.000 4.082 334 I HA 0.577 4.773 4.170 0.042 0.000 0.337 334 I C 1.198 177.305 176.117 -0.016 0.000 1.352 334 I CA 0.039 61.331 61.300 -0.013 0.000 1.097 334 I CB -0.042 37.950 38.000 -0.014 0.000 1.048 334 I HN 0.305 nan 8.210 nan 0.000 0.393 335 G N 2.627 111.416 108.800 -0.018 0.000 2.164 335 G HA2 -0.132 3.853 3.960 0.042 0.000 0.212 335 G HA3 -0.132 3.853 3.960 0.042 0.000 0.212 335 G C -0.142 174.743 174.900 -0.025 0.000 1.031 335 G CA -0.377 44.712 45.100 -0.020 0.000 0.730 335 G HN 0.252 nan 8.290 nan 0.000 0.501 336 I N 0.689 121.241 120.570 -0.029 0.000 2.519 336 I HA 0.270 4.465 4.170 0.042 0.000 0.287 336 I C -0.658 175.439 176.117 -0.034 0.000 1.047 336 I CA -2.167 59.111 61.300 -0.035 0.000 1.381 336 I CB 0.082 38.056 38.000 -0.043 0.000 1.417 336 I HN -0.051 nan 8.210 nan 0.000 0.540 337 P HA 0.093 nan 4.420 nan 0.000 0.276 337 P C -0.030 177.252 177.300 -0.030 0.000 1.264 337 P CA 0.037 63.115 63.100 -0.037 0.000 0.815 337 P CB 0.670 32.342 31.700 -0.047 0.000 1.121 338 A N -0.943 121.862 122.820 -0.025 0.000 2.427 338 A HA 0.214 4.560 4.320 0.042 0.000 0.225 338 A C 0.152 177.741 177.584 0.007 0.000 1.257 338 A CA 0.184 52.220 52.037 -0.002 0.000 0.985 338 A CB 0.008 19.011 19.000 0.005 0.000 1.136 338 A HN 0.496 nan 8.150 nan 0.000 0.538 339 N N -0.830 117.844 118.700 -0.043 0.000 2.329 339 N HA 0.394 5.159 4.740 0.042 0.000 0.282 339 N C -0.040 175.344 175.510 -0.210 0.000 1.198 339 N CA -0.550 52.441 53.050 -0.100 0.000 0.790 339 N CB 1.594 40.036 38.487 -0.076 0.000 1.579 339 N HN 0.002 nan 8.380 nan 0.000 0.475 340 L N 0.476 121.447 121.223 -0.419 0.000 2.478 340 L HA -0.003 4.363 4.340 0.042 0.000 0.223 340 L C 1.786 178.323 176.870 -0.555 0.000 1.140 340 L CA 0.887 55.413 54.840 -0.524 0.000 0.842 340 L CB -0.289 41.317 42.059 -0.756 0.000 0.953 340 L HN 0.559 nan 8.230 nan 0.000 0.452 341 T N -0.644 113.613 114.554 -0.496 0.000 2.770 341 T HA -0.150 4.226 4.350 0.042 0.000 0.263 341 T C 1.634 176.231 174.700 -0.172 0.000 1.039 341 T CA 1.097 63.046 62.100 -0.252 0.000 1.142 341 T CB -0.090 68.741 68.868 -0.061 0.000 0.868 341 T HN 0.379 nan 8.240 nan 0.000 0.435 342 E N 0.846 120.960 120.200 -0.143 0.000 2.267 342 E HA -0.068 4.308 4.350 0.042 0.000 0.197 342 E C 1.962 178.494 176.600 -0.112 0.000 0.998 342 E CA 0.707 57.046 56.400 -0.101 0.000 0.830 342 E CB -0.272 29.381 29.700 -0.078 0.000 0.751 342 E HN 0.466 nan 8.360 nan 0.000 0.491 343 L N -1.341 119.790 121.223 -0.154 0.000 2.249 343 L HA 0.097 4.463 4.340 0.042 0.000 0.207 343 L C 1.791 178.555 176.870 -0.177 0.000 1.090 343 L CA 0.854 55.608 54.840 -0.144 0.000 0.802 343 L CB 0.179 42.149 42.059 -0.149 0.000 0.947 343 L HN 0.339 nan 8.230 nan 0.000 0.453 344 G N -0.937 107.722 108.800 -0.236 0.000 2.425 344 G HA2 -0.114 3.872 3.960 0.042 0.000 0.177 344 G HA3 -0.114 3.872 3.960 0.042 0.000 0.177 344 G C 0.395 175.027 174.900 -0.447 0.000 0.999 344 G CA -0.204 44.729 45.100 -0.278 0.000 0.723 344 G HN 0.375 nan 8.290 nan 0.000 0.491 345 A N 0.708 123.227 122.820 -0.501 0.000 2.520 345 A HA 0.515 4.860 4.320 0.042 0.000 0.235 345 A C 0.310 177.794 177.584 -0.168 0.000 1.065 345 A CA 0.615 52.336 52.037 -0.527 0.000 0.764 345 A CB 0.307 19.076 19.000 -0.385 0.000 1.002 345 A HN 0.186 nan 8.150 nan 0.000 0.502 346 K N 2.024 122.409 120.400 -0.024 0.000 2.358 346 K HA 0.243 4.588 4.320 0.042 0.000 0.260 346 K C 0.404 177.067 176.600 0.106 0.000 0.956 346 K CA -0.606 55.731 56.287 0.084 0.000 0.834 346 K CB 1.728 34.246 32.500 0.029 0.000 1.102 346 K HN 0.739 nan 8.250 nan 0.000 0.431 347 K N 1.329 121.745 120.400 0.027 0.000 2.113 347 K HA -0.180 4.165 4.320 0.042 0.000 0.208 347 K C 1.014 177.483 176.600 -0.218 0.000 1.047 347 K CA 1.544 57.636 56.287 -0.326 0.000 0.928 347 K CB 0.311 32.581 32.500 -0.385 0.000 0.716 347 K HN 0.537 nan 8.250 nan 0.000 0.446 348 E N 0.560 120.687 120.200 -0.121 0.000 2.438 348 E HA -0.103 4.272 4.350 0.042 0.000 0.192 348 E C -0.010 176.525 176.600 -0.108 0.000 1.110 348 E CA 0.697 57.031 56.400 -0.109 0.000 0.893 348 E CB 0.135 29.790 29.700 -0.076 0.000 0.990 348 E HN 0.275 nan 8.360 nan 0.000 0.490 349 D N 0.091 120.423 120.400 -0.115 0.000 2.520 349 D HA 0.065 4.730 4.640 0.042 0.000 0.223 349 D C 1.652 177.810 176.300 -0.236 0.000 1.186 349 D CA -0.049 53.868 54.000 -0.138 0.000 0.821 349 D CB 0.802 41.591 40.800 -0.018 0.000 1.072 349 D HN -0.016 nan 8.370 nan 0.000 0.518 350 V N 2.112 121.869 119.914 -0.261 0.000 2.282 350 V HA -0.209 3.936 4.120 0.042 0.000 0.249 350 V C -0.633 175.275 176.094 -0.309 0.000 1.057 350 V CA 1.987 64.063 62.300 -0.372 0.000 1.032 350 V CB -1.398 30.249 31.823 -0.292 0.000 0.645 350 V HN 0.125 nan 8.190 nan 0.000 0.447 351 P HA -0.144 nan 4.420 nan 0.000 0.218 351 P C 1.790 178.957 177.300 -0.221 0.000 1.148 351 P CA 1.199 64.198 63.100 -0.169 0.000 0.822 351 P CB -0.020 31.597 31.700 -0.137 0.000 0.784 352 L N -1.819 119.208 121.223 -0.326 0.000 2.270 352 L HA 0.049 4.415 4.340 0.042 0.000 0.210 352 L C 1.935 178.414 176.870 -0.651 0.000 1.104 352 L CA 1.316 55.844 54.840 -0.521 0.000 0.804 352 L CB -0.828 40.888 42.059 -0.571 0.000 0.937 352 L HN -0.127 nan 8.230 nan 0.000 0.450 353 L N -1.029 119.918 121.223 -0.460 0.000 2.068 353 L HA -0.023 4.343 4.340 0.042 0.000 0.204 353 L C 2.637 179.495 176.870 -0.019 0.000 1.076 353 L CA 0.990 55.632 54.840 -0.330 0.000 0.753 353 L CB -0.925 40.770 42.059 -0.607 0.000 0.910 353 L HN 0.277 nan 8.230 nan 0.000 0.439 354 A N 0.240 123.086 122.820 0.045 0.000 1.877 354 A HA -0.295 4.051 4.320 0.042 0.000 0.216 354 A C 1.941 179.584 177.584 0.097 0.000 1.186 354 A CA 2.126 54.316 52.037 0.256 0.000 0.620 354 A CB -0.766 18.361 19.000 0.211 0.000 0.822 354 A HN 0.449 nan 8.150 nan 0.000 0.443 355 D N -1.049 119.365 120.400 0.022 0.000 2.133 355 D HA -0.213 4.452 4.640 0.042 0.000 0.195 355 D C 1.662 178.096 176.300 0.224 0.000 0.997 355 D CA 1.879 55.927 54.000 0.080 0.000 0.840 355 D CB -0.309 40.518 40.800 0.044 0.000 0.947 355 D HN 0.765 nan 8.370 nan 0.000 0.452 356 H N -1.308 117.787 119.070 0.041 0.000 2.512 356 H HA 0.256 4.837 4.556 0.042 0.000 0.279 356 H C 2.015 177.394 175.328 0.084 0.000 0.999 356 H CA 0.256 56.349 56.048 0.076 0.000 1.283 356 H CB 0.297 30.133 29.762 0.123 0.000 1.421 356 H HN 0.183 nan 8.280 nan 0.000 0.554 357 A N 1.534 124.480 122.820 0.209 0.000 1.858 357 A HA -0.140 4.206 4.320 0.042 0.000 0.216 357 A C 2.234 179.845 177.584 0.045 0.000 1.190 357 A CA 1.058 53.168 52.037 0.121 0.000 0.617 357 A CB -0.843 18.210 19.000 0.088 0.000 0.827 357 A HN 0.281 nan 8.150 nan 0.000 0.443 358 L N -0.872 120.365 121.223 0.022 0.000 2.349 358 L HA -0.172 4.193 4.340 0.042 0.000 0.220 358 L C 2.193 179.104 176.870 0.068 0.000 1.130 358 L CA 1.308 56.163 54.840 0.025 0.000 0.791 358 L CB -0.306 41.769 42.059 0.027 0.000 0.918 358 L HN 0.378 nan 8.230 nan 0.000 0.444 359 K N -0.610 119.838 120.400 0.081 0.000 2.400 359 K HA -0.012 4.333 4.320 0.042 0.000 0.194 359 K C 0.381 177.019 176.600 0.063 0.000 1.033 359 K CA -0.073 56.253 56.287 0.064 0.000 1.021 359 K CB -0.007 32.520 32.500 0.046 0.000 0.808 359 K HN 0.167 nan 8.250 nan 0.000 0.505 360 D N 0.098 120.547 120.400 0.081 0.000 2.414 360 D HA 0.037 4.702 4.640 0.042 0.000 0.242 360 D C 0.888 177.228 176.300 0.066 0.000 1.129 360 D CA 0.031 54.081 54.000 0.082 0.000 0.885 360 D CB 1.141 41.996 40.800 0.091 0.000 1.198 360 D HN 0.123 nan 8.370 nan 0.000 0.437 361 A N 2.533 125.383 122.820 0.050 0.000 2.067 361 A HA -0.136 4.209 4.320 0.042 0.000 0.219 361 A C 2.149 179.746 177.584 0.022 0.000 1.158 361 A CA 0.825 52.880 52.037 0.031 0.000 0.661 361 A CB -0.562 18.443 19.000 0.007 0.000 0.801 361 A HN 0.781 nan 8.150 nan 0.000 0.452 362 C N -1.050 118.257 119.300 0.011 0.000 2.456 362 C HA 0.215 4.700 4.460 0.042 0.000 0.279 362 C C 3.104 178.142 174.990 0.081 0.000 1.427 362 C CA 0.245 59.264 59.018 0.003 0.000 1.778 362 C CB -1.326 26.383 27.740 -0.053 0.000 1.842 362 C HN 0.714 nan 8.230 nan 0.000 0.531 363 A N 0.716 123.614 122.820 0.130 0.000 1.930 363 A HA -0.132 4.213 4.320 0.042 0.000 0.217 363 A C 2.013 179.709 177.584 0.186 0.000 1.175 363 A CA 1.379 53.570 52.037 0.256 0.000 0.627 363 A CB -0.582 18.557 19.000 0.231 0.000 0.815 363 A HN 0.479 nan 8.150 nan 0.000 0.443 364 L N 0.647 121.936 121.223 0.110 0.000 2.043 364 L HA -0.173 4.192 4.340 0.042 0.000 0.212 364 L C 2.418 179.313 176.870 0.041 0.000 1.075 364 L CA 2.769 57.653 54.840 0.073 0.000 0.752 364 L CB -0.650 41.443 42.059 0.056 0.000 0.891 364 L HN 0.550 nan 8.230 nan 0.000 0.432 365 T N -3.538 111.035 114.554 0.031 0.000 3.144 365 T HA 0.102 4.477 4.350 0.042 0.000 0.249 365 T C 0.754 175.432 174.700 -0.036 0.000 1.089 365 T CA -0.194 61.910 62.100 0.006 0.000 0.989 365 T CB -0.981 67.900 68.868 0.022 0.000 0.992 365 T HN 0.309 nan 8.240 nan 0.000 0.540 366 N N 3.211 121.858 118.700 -0.088 0.000 2.492 366 N HA 0.153 4.918 4.740 0.042 0.000 0.262 366 N C -0.949 174.428 175.510 -0.221 0.000 1.202 366 N CA -1.713 51.195 53.050 -0.238 0.000 0.926 366 N CB 1.123 39.197 38.487 -0.688 0.000 1.078 366 N HN -0.023 nan 8.380 nan 0.000 0.454 367 P HA -0.166 nan 4.420 nan 0.000 0.218 367 P C -0.283 176.920 177.300 -0.162 0.000 1.149 367 P CA 1.169 64.189 63.100 -0.133 0.000 0.817 367 P CB 0.272 31.916 31.700 -0.093 0.000 0.785 368 R N 0.714 121.068 120.500 -0.243 0.000 2.288 368 R HA 0.196 4.561 4.340 0.042 0.000 0.326 368 R C -0.269 175.937 176.300 -0.156 0.000 0.959 368 R CA -0.499 55.465 56.100 -0.227 0.000 0.834 368 R CB 0.582 30.637 30.300 -0.408 0.000 1.157 368 R HN -0.073 nan 8.270 nan 0.000 0.470 369 Q N 2.303 122.085 119.800 -0.030 0.000 2.279 369 Q HA 0.329 4.694 4.340 0.042 0.000 0.256 369 Q C -0.120 176.023 176.000 0.238 0.000 0.937 369 Q CA -0.105 55.766 55.803 0.114 0.000 0.933 369 Q CB 1.986 30.770 28.738 0.077 0.000 1.189 369 Q HN 0.874 nan 8.270 nan 0.000 0.417 370 G N 1.702 110.746 108.800 0.407 0.000 3.042 370 G HA2 0.636 4.621 3.960 0.042 0.000 0.278 370 G HA3 0.636 4.621 3.960 0.042 0.000 0.278 370 G C -1.182 173.833 174.900 0.192 0.000 1.371 370 G CA -0.629 44.666 45.100 0.325 0.000 1.009 370 G HN 0.603 nan 8.290 nan 0.000 0.523 371 D N -2.032 118.441 120.400 0.122 0.000 2.419 371 D HA 0.242 4.907 4.640 0.042 0.000 0.234 371 D C 0.972 177.291 176.300 0.033 0.000 1.014 371 D CA -0.883 53.160 54.000 0.071 0.000 0.919 371 D CB 1.914 42.752 40.800 0.062 0.000 1.366 371 D HN 0.431 nan 8.370 nan 0.000 0.490 372 Q N 0.561 120.374 119.800 0.022 0.000 2.152 372 Q HA -0.248 4.117 4.340 0.042 0.000 0.206 372 Q C 1.439 177.442 176.000 0.006 0.000 0.985 372 Q CA 1.827 57.635 55.803 0.009 0.000 0.863 372 Q CB -0.012 28.735 28.738 0.014 0.000 0.904 372 Q HN 0.498 nan 8.270 nan 0.000 0.422 373 K N -0.382 120.026 120.400 0.013 0.000 2.574 373 K HA -0.142 4.204 4.320 0.042 0.000 0.193 373 K C 1.148 177.756 176.600 0.013 0.000 1.035 373 K CA 1.148 57.441 56.287 0.010 0.000 0.982 373 K CB 0.162 32.672 32.500 0.015 0.000 0.795 373 K HN 0.379 nan 8.250 nan 0.000 0.491 374 E N -1.478 118.730 120.200 0.013 0.000 2.555 374 E HA -0.016 4.359 4.350 0.042 0.000 0.209 374 E C 1.162 177.730 176.600 -0.054 0.000 0.847 374 E CA 0.070 56.478 56.400 0.013 0.000 1.438 374 E CB 0.475 30.219 29.700 0.073 0.000 1.420 374 E HN 0.033 nan 8.360 nan 0.000 0.755 375 V N 1.897 121.764 119.914 -0.077 0.000 2.427 375 V HA -0.185 3.960 4.120 0.042 0.000 0.248 375 V C 1.933 177.975 176.094 -0.087 0.000 1.051 375 V CA 2.039 64.226 62.300 -0.188 0.000 1.048 375 V CB -0.365 31.338 31.823 -0.200 0.000 0.666 375 V HN 0.253 nan 8.190 nan 0.000 0.456 376 E N -0.053 120.165 120.200 0.029 0.000 2.110 376 E HA -0.269 4.106 4.350 0.042 0.000 0.193 376 E C 2.268 178.906 176.600 0.065 0.000 0.988 376 E CA 1.310 57.783 56.400 0.122 0.000 0.804 376 E CB -0.121 29.598 29.700 0.032 0.000 0.745 376 E HN 0.706 nan 8.360 nan 0.000 0.458 377 E N 0.912 121.104 120.200 -0.013 0.000 2.085 377 E HA -0.241 4.135 4.350 0.042 0.000 0.194 377 E C 2.179 178.749 176.600 -0.050 0.000 0.994 377 E CA 0.744 57.125 56.400 -0.032 0.000 0.801 377 E CB -0.018 29.664 29.700 -0.029 0.000 0.743 377 E HN 0.106 nan 8.360 nan 0.000 0.453 378 L N 0.375 121.522 121.223 -0.126 0.000 1.990 378 L HA -0.199 4.166 4.340 0.042 0.000 0.213 378 L C 2.162 178.963 176.870 -0.114 0.000 1.072 378 L CA 1.804 56.519 54.840 -0.208 0.000 0.755 378 L CB -0.793 41.009 42.059 -0.429 0.000 0.889 378 L HN 0.171 nan 8.230 nan 0.000 0.432 379 F N -0.832 119.077 119.950 -0.068 0.000 2.065 379 F HA -0.283 4.269 4.527 0.042 0.000 0.298 379 F C 2.213 178.098 175.800 0.141 0.000 1.112 379 F CA 1.637 59.670 58.000 0.055 0.000 1.212 379 F CB -0.901 38.138 39.000 0.066 0.000 0.975 379 F HN 0.059 nan 8.300 nan 0.000 0.476 380 L N -0.942 120.380 121.223 0.166 0.000 2.261 380 L HA -0.180 4.185 4.340 0.042 0.000 0.216 380 L C 2.367 179.263 176.870 0.043 0.000 1.114 380 L CA 1.587 56.414 54.840 -0.020 0.000 0.777 380 L CB -1.342 40.642 42.059 -0.126 0.000 0.910 380 L HN 0.081 nan 8.230 nan 0.000 0.440 381 S N -1.236 114.445 115.700 -0.032 0.000 2.607 381 S HA 0.177 4.672 4.470 0.042 0.000 0.224 381 S C 1.439 175.753 174.600 -0.477 0.000 0.969 381 S CA 0.548 58.625 58.200 -0.205 0.000 0.927 381 S CB -0.041 63.023 63.200 -0.227 0.000 0.772 381 S HN 0.376 nan 8.310 nan 0.000 0.533 382 A N -0.044 122.696 122.820 -0.134 0.000 2.589 382 A HA 0.551 4.897 4.320 0.042 0.000 0.283 382 A C -0.091 177.499 177.584 0.010 0.000 1.187 382 A CA -0.458 51.507 52.037 -0.120 0.000 0.957 382 A CB 0.039 19.040 19.000 0.003 0.000 1.175 382 A HN 0.409 nan 8.150 nan 0.000 0.532 383 F N 0.000 119.909 119.950 -0.069 0.000 2.286 383 F HA 0.000 4.553 4.527 0.043 0.000 0.279 383 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 383 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 383 F HN 0.000 nan 8.300 nan 0.000 0.574