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 2npg_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVHINA AIAGLVGAYL XXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE LKXXXXXXDP CDVFGVFGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.296 177.300 -0.007 0.000 1.155 2 P CA 0.000 63.101 63.100 0.002 0.000 0.800 2 P CB 0.000 31.706 31.700 0.011 0.000 0.726 3 A N 0.521 123.333 122.820 -0.013 0.000 2.583 3 A HA 0.393 4.713 4.320 0.001 0.000 0.249 3 A C 0.287 177.842 177.584 -0.048 0.000 1.035 3 A CA 0.402 52.420 52.037 -0.032 0.000 0.777 3 A CB -0.335 18.643 19.000 -0.036 0.000 0.942 3 A HN 0.373 nan 8.150 nan 0.000 0.516 4 V N 2.906 122.780 119.914 -0.066 0.000 2.513 4 V HA 0.568 4.689 4.120 0.001 0.000 0.299 4 V C 0.834 176.830 176.094 -0.164 0.000 1.035 4 V CA -0.163 62.083 62.300 -0.090 0.000 0.889 4 V CB 1.601 33.391 31.823 -0.054 0.000 0.988 4 V HN 1.237 nan 8.190 nan 0.000 0.440 5 A N 3.225 125.869 122.820 -0.292 0.000 2.440 5 A HA 0.314 4.635 4.320 0.001 0.000 0.251 5 A C 0.065 177.492 177.584 -0.263 0.000 1.089 5 A CA -0.091 51.678 52.037 -0.448 0.000 0.779 5 A CB 0.110 18.425 19.000 -1.142 0.000 1.022 5 A HN 0.839 nan 8.150 nan 0.000 0.492 6 D N 2.122 122.403 120.400 -0.198 0.000 2.373 6 D HA 0.198 4.839 4.640 0.001 0.000 0.227 6 D C 0.711 176.960 176.300 -0.084 0.000 1.091 6 D CA -0.327 53.607 54.000 -0.111 0.000 0.840 6 D CB 0.908 41.656 40.800 -0.087 0.000 1.060 6 D HN 0.530 nan 8.370 nan 0.000 0.502 7 K N 2.263 122.636 120.400 -0.044 0.000 2.160 7 K HA -0.178 4.143 4.320 0.001 0.000 0.206 7 K C 1.830 178.439 176.600 0.015 0.000 1.047 7 K CA 1.499 57.788 56.287 0.004 0.000 0.930 7 K CB 0.112 32.626 32.500 0.023 0.000 0.720 7 K HN 0.466 nan 8.250 nan 0.000 0.450 8 A N 1.595 124.413 122.820 -0.002 0.000 1.898 8 A HA -0.193 4.128 4.320 0.001 0.000 0.216 8 A C 1.577 179.184 177.584 0.039 0.000 1.181 8 A CA 1.814 53.855 52.037 0.006 0.000 0.620 8 A CB -0.307 18.674 19.000 -0.032 0.000 0.819 8 A HN 0.163 nan 8.150 nan 0.000 0.442 9 D N 0.044 120.452 120.400 0.014 0.000 2.149 9 D HA -0.104 4.536 4.640 0.001 0.000 0.201 9 D C 1.630 177.977 176.300 0.077 0.000 0.972 9 D CA 0.948 54.981 54.000 0.055 0.000 0.835 9 D CB -0.382 40.410 40.800 -0.013 0.000 0.966 9 D HN 0.315 nan 8.370 nan 0.000 0.476 10 N N 1.045 119.764 118.700 0.032 0.000 2.069 10 N HA -0.134 4.606 4.740 0.001 0.000 0.191 10 N C 1.777 177.336 175.510 0.082 0.000 1.031 10 N CA 1.437 54.520 53.050 0.055 0.000 0.852 10 N CB -0.478 38.059 38.487 0.084 0.000 1.018 10 N HN 0.123 nan 8.380 nan 0.000 0.423 11 A N 0.813 123.689 122.820 0.093 0.000 1.851 11 A HA -0.174 4.146 4.320 0.001 0.000 0.216 11 A C 2.184 179.850 177.584 0.136 0.000 1.195 11 A CA 1.325 53.422 52.037 0.100 0.000 0.622 11 A CB -1.173 17.884 19.000 0.095 0.000 0.831 11 A HN 0.285 nan 8.150 nan 0.000 0.444 12 F N 0.246 120.195 119.950 -0.001 0.000 2.091 12 F HA -0.226 4.301 4.527 0.001 0.000 0.299 12 F C 2.295 178.094 175.800 -0.002 0.000 1.103 12 F CA 2.135 60.137 58.000 0.003 0.000 1.228 12 F CB -0.260 38.731 39.000 -0.014 0.000 0.984 12 F HN 0.112 nan 8.300 nan 0.000 0.477 13 M N -0.690 118.866 119.600 -0.073 0.000 2.229 13 M HA -0.189 4.291 4.480 0.001 0.000 0.264 13 M C 2.274 178.510 176.300 -0.107 0.000 1.063 13 M CA 1.424 56.579 55.300 -0.242 0.000 1.114 13 M CB -1.200 31.279 32.600 -0.201 0.000 1.387 13 M HN 0.301 nan 8.290 nan 0.000 0.420 14 M N -0.447 119.142 119.600 -0.018 0.000 2.156 14 M HA -0.139 4.341 4.480 0.001 0.000 0.264 14 M C 1.922 178.233 176.300 0.018 0.000 1.067 14 M CA 1.036 56.353 55.300 0.029 0.000 1.131 14 M CB -0.194 32.434 32.600 0.046 0.000 1.368 14 M HN 0.106 nan 8.290 nan 0.000 0.416 15 I N -0.244 120.321 120.570 -0.010 0.000 2.315 15 I HA -0.261 3.909 4.170 0.001 0.000 0.248 15 I C 2.477 178.580 176.117 -0.023 0.000 1.117 15 I CA 1.206 62.501 61.300 -0.008 0.000 1.404 15 I CB -1.535 36.472 38.000 0.013 0.000 1.071 15 I HN 0.392 nan 8.210 nan 0.000 0.419 16 C N 0.622 119.849 119.300 -0.122 0.000 2.425 16 C HA -0.146 4.315 4.460 0.001 0.000 0.277 16 C C 2.991 178.098 174.990 0.195 0.000 1.280 16 C CA 1.387 60.382 59.018 -0.039 0.000 1.744 16 C CB -1.070 26.513 27.740 -0.262 0.000 1.989 16 C HN 0.522 nan 8.230 nan 0.000 0.491 17 T N 1.109 115.801 114.554 0.231 0.000 2.708 17 T HA -0.130 4.220 4.350 0.001 0.000 0.266 17 T C 2.138 176.906 174.700 0.114 0.000 1.037 17 T CA 1.654 63.893 62.100 0.231 0.000 1.146 17 T CB -0.451 68.538 68.868 0.202 0.000 0.865 17 T HN 0.637 nan 8.240 nan 0.000 0.435 18 A N 1.217 124.086 122.820 0.082 0.000 1.908 18 A HA -0.034 4.286 4.320 0.001 0.000 0.218 18 A C 2.321 179.950 177.584 0.075 0.000 1.181 18 A CA 1.290 53.358 52.037 0.052 0.000 0.627 18 A CB -0.916 18.087 19.000 0.005 0.000 0.818 18 A HN 0.476 nan 8.150 nan 0.000 0.445 19 L N -0.608 120.673 121.223 0.096 0.000 2.046 19 L HA -0.163 4.177 4.340 0.001 0.000 0.208 19 L C 2.524 179.498 176.870 0.174 0.000 1.077 19 L CA 1.134 56.078 54.840 0.173 0.000 0.747 19 L CB -0.437 41.726 42.059 0.173 0.000 0.896 19 L HN 0.275 nan 8.230 nan 0.000 0.432 20 V N -0.115 119.858 119.914 0.098 0.000 2.358 20 V HA -0.264 3.856 4.120 0.001 0.000 0.246 20 V C 2.362 178.455 176.094 -0.002 0.000 1.047 20 V CA 1.391 63.684 62.300 -0.010 0.000 1.035 20 V CB -0.358 31.395 31.823 -0.116 0.000 0.658 20 V HN 0.340 nan 8.190 nan 0.000 0.452 21 L N -1.120 120.142 121.223 0.066 0.000 2.042 21 L HA -0.196 4.144 4.340 0.001 0.000 0.210 21 L C 2.425 179.350 176.870 0.091 0.000 1.076 21 L CA 1.642 56.546 54.840 0.105 0.000 0.749 21 L CB -0.667 41.484 42.059 0.153 0.000 0.893 21 L HN 0.324 nan 8.230 nan 0.000 0.432 22 F N 0.690 120.604 119.950 -0.060 0.000 2.250 22 F HA -0.243 4.285 4.527 0.001 0.000 0.301 22 F C 2.361 178.100 175.800 -0.100 0.000 1.077 22 F CA 1.318 59.276 58.000 -0.071 0.000 1.348 22 F CB -0.368 38.614 39.000 -0.030 0.000 1.040 22 F HN 0.026 nan 8.300 nan 0.000 0.509 23 M N -1.158 118.395 119.600 -0.078 0.000 2.159 23 M HA -0.197 4.283 4.480 0.001 0.000 0.263 23 M C 1.876 178.037 176.300 -0.231 0.000 1.063 23 M CA 2.108 57.262 55.300 -0.244 0.000 1.110 23 M CB -0.697 31.716 32.600 -0.311 0.000 1.374 23 M HN 0.004 nan 8.290 nan 0.000 0.411 24 T N 0.248 114.695 114.554 -0.177 0.000 2.837 24 T HA 0.148 4.498 4.350 0.001 0.000 0.248 24 T C 0.866 175.420 174.700 -0.243 0.000 1.033 24 T CA 0.607 62.596 62.100 -0.185 0.000 1.150 24 T CB 0.285 69.070 68.868 -0.138 0.000 0.865 24 T HN 0.044 nan 8.240 nan 0.000 0.425 25 I N 3.514 123.902 120.570 -0.303 0.000 2.347 25 I HA 0.271 4.442 4.170 0.001 0.000 0.283 25 I C -2.110 173.972 176.117 -0.058 0.000 1.058 25 I CA -2.498 58.634 61.300 -0.281 0.000 1.202 25 I CB 0.937 38.618 38.000 -0.530 0.000 1.386 25 I HN 0.111 nan 8.210 nan 0.000 0.475 26 P HA 0.196 nan 4.420 nan 0.000 0.290 26 P C 1.253 178.458 177.300 -0.158 0.000 1.447 26 P CA 0.072 63.103 63.100 -0.115 0.000 1.127 26 P CB 1.024 32.693 31.700 -0.051 0.000 1.555 27 G N 2.105 110.744 108.800 -0.268 0.000 2.764 27 G HA2 -0.329 3.632 3.960 0.001 0.000 0.219 27 G HA3 -0.329 3.632 3.960 0.001 0.000 0.219 27 G C 1.284 176.103 174.900 -0.134 0.000 1.259 27 G CA 1.232 46.169 45.100 -0.273 0.000 0.793 27 G HN 0.295 nan 8.290 nan 0.000 0.633 28 I N 1.728 122.228 120.570 -0.117 0.000 2.394 28 I HA 0.060 4.231 4.170 0.001 0.000 0.251 28 I C 2.990 179.184 176.117 0.129 0.000 1.136 28 I CA 1.307 62.591 61.300 -0.027 0.000 1.425 28 I CB -0.332 37.648 38.000 -0.033 0.000 1.079 28 I HN 0.241 nan 8.210 nan 0.000 0.425 29 A N 0.075 122.932 122.820 0.062 0.000 1.902 29 A HA -0.148 4.173 4.320 0.001 0.000 0.217 29 A C 2.265 179.903 177.584 0.089 0.000 1.181 29 A CA 1.735 53.823 52.037 0.085 0.000 0.623 29 A CB -0.861 18.143 19.000 0.007 0.000 0.818 29 A HN 0.471 nan 8.150 nan 0.000 0.443 30 L N -2.379 118.868 121.223 0.040 0.000 2.179 30 L HA -0.046 4.295 4.340 0.001 0.000 0.208 30 L C 2.409 179.291 176.870 0.019 0.000 1.096 30 L CA 0.949 55.800 54.840 0.018 0.000 0.779 30 L CB -0.457 41.592 42.059 -0.018 0.000 0.922 30 L HN 0.489 nan 8.230 nan 0.000 0.443 31 F N 0.218 120.091 119.950 -0.130 0.000 2.069 31 F HA -0.300 4.227 4.527 0.000 0.000 0.298 31 F C 2.356 178.039 175.800 -0.195 0.000 1.113 31 F CA 1.761 59.635 58.000 -0.211 0.000 1.214 31 F CB -0.355 38.456 39.000 -0.314 0.000 0.978 31 F HN -0.069 nan 8.300 nan 0.000 0.474 32 Y N 0.466 120.812 120.300 0.077 0.000 2.242 32 Y HA 0.010 4.561 4.550 0.001 0.000 0.291 32 Y C 2.704 178.567 175.900 -0.061 0.000 1.137 32 Y CA 1.087 59.170 58.100 -0.028 0.000 1.181 32 Y CB -1.318 37.160 38.460 0.030 0.000 0.989 32 Y HN 0.145 nan 8.280 nan 0.000 0.527 33 G N -0.490 108.385 108.800 0.125 0.000 2.469 33 G HA2 -0.262 3.698 3.960 0.001 0.000 0.219 33 G HA3 -0.262 3.698 3.960 0.001 0.000 0.219 33 G C 2.022 176.958 174.900 0.059 0.000 1.150 33 G CA 1.056 46.215 45.100 0.099 0.000 0.763 33 G HN 0.520 nan 8.290 nan 0.000 0.561 34 G N 0.054 108.776 108.800 -0.130 0.000 2.511 34 G HA2 0.080 4.040 3.960 0.001 0.000 0.217 34 G HA3 0.080 4.040 3.960 0.001 0.000 0.217 34 G C 1.703 176.412 174.900 -0.320 0.000 1.133 34 G CA 0.336 45.222 45.100 -0.356 0.000 0.792 34 G HN 0.432 nan 8.290 nan 0.000 0.539 35 L N 0.470 121.586 121.223 -0.178 0.000 2.168 35 L HA 0.298 4.638 4.340 0.001 0.000 0.203 35 L C 1.712 178.610 176.870 0.046 0.000 1.078 35 L CA -0.002 54.771 54.840 -0.112 0.000 0.780 35 L CB -0.297 41.657 42.059 -0.175 0.000 0.939 35 L HN 0.298 nan 8.230 nan 0.000 0.451 36 I N -1.389 119.249 120.570 0.112 0.000 3.079 36 I HA 0.217 4.387 4.170 0.001 0.000 0.295 36 I C 0.731 176.919 176.117 0.118 0.000 1.094 36 I CA -0.816 60.542 61.300 0.097 0.000 1.295 36 I CB 0.466 38.499 38.000 0.056 0.000 1.443 36 I HN -0.023 nan 8.210 nan 0.000 0.607 37 R N 2.627 123.128 120.500 0.001 0.000 2.570 37 R HA 0.157 4.498 4.340 0.001 0.000 0.277 37 R C 1.172 177.303 176.300 -0.281 0.000 1.039 37 R CA 1.135 57.174 56.100 -0.101 0.000 1.065 37 R CB 0.689 30.943 30.300 -0.076 0.000 0.964 37 R HN 0.888 nan 8.270 nan 0.000 0.428 38 G N 4.535 112.992 108.800 -0.571 0.000 2.513 38 G HA2 -0.405 3.555 3.960 0.001 0.000 0.219 38 G HA3 -0.405 3.555 3.960 0.001 0.000 0.219 38 G C 0.895 175.626 174.900 -0.280 0.000 1.160 38 G CA 1.310 46.008 45.100 -0.669 0.000 0.767 38 G HN 0.834 nan 8.290 nan 0.000 0.571 39 K N -0.071 120.220 120.400 -0.182 0.000 2.442 39 K HA 0.022 4.342 4.320 0.001 0.000 0.198 39 K C 1.345 177.896 176.600 -0.081 0.000 1.044 39 K CA 1.282 57.507 56.287 -0.104 0.000 0.948 39 K CB -0.049 32.404 32.500 -0.078 0.000 0.762 39 K HN 0.197 nan 8.250 nan 0.000 0.472 40 N N 0.535 119.180 118.700 -0.092 0.000 2.220 40 N HA 0.027 4.767 4.740 0.001 0.000 0.195 40 N C 1.441 176.921 175.510 -0.051 0.000 1.123 40 N CA 0.177 53.188 53.050 -0.065 0.000 0.874 40 N CB 0.591 39.040 38.487 -0.063 0.000 0.995 40 N HN -0.019 nan 8.380 nan 0.000 0.498 41 V N 1.850 121.735 119.914 -0.048 0.000 2.255 41 V HA -0.206 3.915 4.120 0.001 0.000 0.247 41 V C 2.431 178.524 176.094 -0.002 0.000 1.051 41 V CA 1.406 63.704 62.300 -0.003 0.000 1.018 41 V CB -0.536 31.304 31.823 0.029 0.000 0.641 41 V HN 0.239 nan 8.190 nan 0.000 0.445 42 L N -0.106 121.114 121.223 -0.006 0.000 2.013 42 L HA -0.224 4.117 4.340 0.001 0.000 0.212 42 L C 2.732 179.602 176.870 0.001 0.000 1.073 42 L CA 2.071 56.914 54.840 0.006 0.000 0.753 42 L CB -0.820 41.245 42.059 0.010 0.000 0.890 42 L HN 0.402 nan 8.230 nan 0.000 0.432 43 S N -0.406 115.285 115.700 -0.016 0.000 2.368 43 S HA -0.217 4.253 4.470 0.001 0.000 0.225 43 S C 2.020 176.563 174.600 -0.096 0.000 1.030 43 S CA 1.363 59.541 58.200 -0.038 0.000 0.999 43 S CB -0.165 63.010 63.200 -0.042 0.000 0.844 43 S HN 0.327 nan 8.310 nan 0.000 0.459 44 M N 0.983 120.533 119.600 -0.085 0.000 2.117 44 M HA -0.035 4.445 4.480 0.001 0.000 0.262 44 M C 1.868 178.122 176.300 -0.077 0.000 1.065 44 M CA 1.545 56.781 55.300 -0.107 0.000 1.114 44 M CB -0.962 31.592 32.600 -0.077 0.000 1.361 44 M HN 0.394 nan 8.290 nan 0.000 0.408 45 L N -0.344 120.862 121.223 -0.029 0.000 2.083 45 L HA -0.211 4.129 4.340 0.001 0.000 0.209 45 L C 2.293 179.165 176.870 0.002 0.000 1.083 45 L CA 1.684 56.522 54.840 -0.005 0.000 0.752 45 L CB -1.131 40.937 42.059 0.014 0.000 0.899 45 L HN 0.313 nan 8.230 nan 0.000 0.433 46 T N -1.142 113.416 114.554 0.007 0.000 2.737 46 T HA -0.207 4.144 4.350 0.001 0.000 0.265 46 T C 1.902 176.618 174.700 0.028 0.000 1.038 46 T CA 1.141 63.282 62.100 0.067 0.000 1.144 46 T CB -0.156 68.793 68.868 0.135 0.000 0.866 46 T HN 0.359 nan 8.240 nan 0.000 0.434 47 Q N 0.239 119.916 119.800 -0.205 0.000 2.124 47 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 47 Q C 2.558 178.497 176.000 -0.100 0.000 0.977 47 Q CA 1.133 56.703 55.803 -0.387 0.000 0.850 47 Q CB -0.341 28.071 28.738 -0.542 0.000 0.901 47 Q HN 0.360 nan 8.270 nan 0.000 0.429 48 V N 0.272 120.156 119.914 -0.049 0.000 2.453 48 V HA -0.203 3.917 4.120 0.001 0.000 0.247 48 V C 2.127 178.276 176.094 0.092 0.000 1.048 48 V CA 1.943 64.253 62.300 0.018 0.000 1.049 48 V CB -0.563 31.259 31.823 -0.001 0.000 0.672 48 V HN 0.400 nan 8.190 nan 0.000 0.457 49 T N 0.034 114.640 114.554 0.087 0.000 2.732 49 T HA -0.131 4.220 4.350 0.001 0.000 0.261 49 T C 1.972 176.817 174.700 0.243 0.000 1.040 49 T CA 1.657 63.840 62.100 0.138 0.000 1.145 49 T CB -0.162 68.763 68.868 0.095 0.000 0.866 49 T HN 0.271 nan 8.240 nan 0.000 0.427 50 V N 2.398 122.453 119.914 0.235 0.000 2.343 50 V HA -0.181 3.939 4.120 0.001 0.000 0.247 50 V C 3.021 179.260 176.094 0.240 0.000 1.051 50 V CA 2.161 64.621 62.300 0.266 0.000 1.036 50 V CB -1.434 30.629 31.823 0.401 0.000 0.654 50 V HN 0.737 nan 8.190 nan 0.000 0.451 51 T N -1.641 113.049 114.554 0.226 0.000 2.867 51 T HA -0.212 4.138 4.350 0.001 0.000 0.268 51 T C 1.802 176.606 174.700 0.174 0.000 1.057 51 T CA 1.535 63.746 62.100 0.185 0.000 1.136 51 T CB -0.599 68.360 68.868 0.153 0.000 0.874 51 T HN 0.394 nan 8.240 nan 0.000 0.466 52 F N 2.915 122.896 119.950 0.050 0.000 2.102 52 F HA 0.131 4.659 4.527 0.001 0.000 0.298 52 F C 2.593 178.412 175.800 0.033 0.000 1.105 52 F CA 0.925 58.940 58.000 0.024 0.000 1.239 52 F CB -0.925 38.086 39.000 0.018 0.000 0.991 52 F HN 0.260 nan 8.300 nan 0.000 0.474 53 A N 0.668 123.533 122.820 0.076 0.000 1.883 53 A HA -0.186 4.135 4.320 0.001 0.000 0.217 53 A C 2.150 179.684 177.584 -0.083 0.000 1.186 53 A CA 1.791 53.798 52.037 -0.050 0.000 0.624 53 A CB -1.412 17.643 19.000 0.093 0.000 0.822 53 A HN 0.529 nan 8.150 nan 0.000 0.444 54 L N 0.138 121.364 121.223 0.006 0.000 1.990 54 L HA -0.167 4.173 4.340 0.001 0.000 0.213 54 L C 2.413 179.269 176.870 -0.025 0.000 1.072 54 L CA 2.277 57.128 54.840 0.018 0.000 0.755 54 L CB -0.674 41.431 42.059 0.076 0.000 0.889 54 L HN 0.171 nan 8.230 nan 0.000 0.432 55 V N -1.161 118.720 119.914 -0.055 0.000 2.332 55 V HA -0.370 3.750 4.120 0.001 0.000 0.248 55 V C 2.675 178.704 176.094 -0.107 0.000 1.055 55 V CA 1.877 64.134 62.300 -0.072 0.000 1.038 55 V CB -0.956 30.802 31.823 -0.109 0.000 0.651 55 V HN 0.669 nan 8.190 nan 0.000 0.450 56 C N -0.216 118.933 119.300 -0.253 0.000 2.413 56 C HA -0.163 4.297 4.460 0.001 0.000 0.276 56 C C 2.602 177.561 174.990 -0.052 0.000 1.248 56 C CA 0.722 59.609 59.018 -0.217 0.000 1.742 56 C CB -0.969 26.554 27.740 -0.361 0.000 2.017 56 C HN 0.478 nan 8.230 nan 0.000 0.481 57 I N 0.590 121.124 120.570 -0.059 0.000 2.233 57 I HA -0.115 4.056 4.170 0.001 0.000 0.243 57 I C 2.393 178.482 176.117 -0.047 0.000 1.093 57 I CA 1.666 62.949 61.300 -0.028 0.000 1.380 57 I CB -1.373 36.620 38.000 -0.012 0.000 1.067 57 I HN 0.354 nan 8.210 nan 0.000 0.413 58 L N -0.739 120.440 121.223 -0.073 0.000 2.083 58 L HA -0.242 4.099 4.340 0.001 0.000 0.209 58 L C 2.623 179.274 176.870 -0.366 0.000 1.083 58 L CA 1.343 56.022 54.840 -0.268 0.000 0.752 58 L CB -0.607 41.331 42.059 -0.201 0.000 0.899 58 L HN 0.446 nan 8.230 nan 0.000 0.433 59 W N 0.563 121.696 121.300 -0.278 0.000 2.333 59 W HA -0.225 4.435 4.660 0.000 0.000 0.316 59 W C 2.243 178.699 176.519 -0.104 0.000 1.215 59 W CA 1.833 59.077 57.345 -0.169 0.000 1.278 59 W CB -0.049 29.352 29.460 -0.100 0.000 1.154 59 W HN -0.066 nan 8.180 nan 0.000 0.486 60 V N 0.429 120.323 119.914 -0.033 0.000 2.358 60 V HA -0.294 3.826 4.120 0.001 0.000 0.246 60 V C 2.183 178.220 176.094 -0.094 0.000 1.047 60 V CA 1.616 63.860 62.300 -0.093 0.000 1.035 60 V CB -1.010 30.790 31.823 -0.039 0.000 0.658 60 V HN 0.034 nan 8.190 nan 0.000 0.452 61 V N 0.097 119.959 119.914 -0.086 0.000 2.287 61 V HA -0.240 3.880 4.120 0.001 0.000 0.248 61 V C 1.863 178.008 176.094 0.084 0.000 1.053 61 V CA 2.900 65.205 62.300 0.008 0.000 1.027 61 V CB -0.576 31.291 31.823 0.074 0.000 0.646 61 V HN 0.910 nan 8.190 nan 0.000 0.447 62 Y N -2.907 117.375 120.300 -0.029 0.000 2.730 62 Y HA 0.515 5.066 4.550 0.001 0.000 0.298 62 Y C 1.728 177.556 175.900 -0.119 0.000 0.948 62 Y CA 0.281 58.354 58.100 -0.045 0.000 1.127 62 Y CB -0.646 37.794 38.460 -0.033 0.000 1.437 62 Y HN -0.041 nan 8.280 nan 0.000 0.589 63 G N 1.404 109.847 108.800 -0.596 0.000 2.480 63 G HA2 -0.364 3.596 3.960 0.001 0.000 0.216 63 G HA3 -0.364 3.596 3.960 0.001 0.000 0.216 63 G C 1.412 175.801 174.900 -0.852 0.000 1.200 63 G CA 1.649 46.416 45.100 -0.556 0.000 0.782 63 G HN 0.515 nan 8.290 nan 0.000 0.554 64 Y N 1.559 121.012 120.300 -1.412 0.000 2.128 64 Y HA -0.161 4.390 4.550 0.001 0.000 0.284 64 Y C 3.167 179.001 175.900 -0.109 0.000 1.154 64 Y CA 1.975 59.473 58.100 -1.002 0.000 1.149 64 Y CB -0.534 37.461 38.460 -0.775 0.000 0.976 64 Y HN 0.247 nan 8.280 nan 0.000 0.505 65 S N -0.193 115.524 115.700 0.028 0.000 2.370 65 S HA -0.183 4.287 4.470 0.001 0.000 0.226 65 S C 2.011 176.582 174.600 -0.049 0.000 1.033 65 S CA 1.679 59.978 58.200 0.165 0.000 1.011 65 S CB -0.578 62.757 63.200 0.225 0.000 0.852 65 S HN 0.552 nan 8.310 nan 0.000 0.457 66 L N 0.359 121.548 121.223 -0.057 0.000 2.240 66 L HA 0.080 4.420 4.340 0.001 0.000 0.211 66 L C 2.688 179.482 176.870 -0.127 0.000 1.106 66 L CA 0.909 55.716 54.840 -0.056 0.000 0.793 66 L CB -0.457 41.621 42.059 0.033 0.000 0.927 66 L HN 0.427 nan 8.230 nan 0.000 0.446 67 A N -0.678 122.041 122.820 -0.168 0.000 1.887 67 A HA -0.019 4.301 4.320 0.001 0.000 0.212 67 A C 1.616 178.950 177.584 -0.417 0.000 1.198 67 A CA 0.924 52.804 52.037 -0.262 0.000 0.628 67 A CB -0.290 18.603 19.000 -0.177 0.000 0.847 67 A HN 0.323 nan 8.150 nan 0.000 0.449 68 F N 0.015 119.925 119.950 -0.066 0.000 2.704 68 F HA 0.318 4.846 4.527 0.001 0.000 0.304 68 F C 1.602 177.444 175.800 0.070 0.000 1.094 68 F CA -0.262 57.736 58.000 -0.003 0.000 1.275 68 F CB -0.032 38.865 39.000 -0.171 0.000 1.073 68 F HN 0.223 nan 8.300 nan 0.000 0.586 69 G N 0.445 109.226 108.800 -0.031 0.000 2.599 69 G HA2 0.224 4.185 3.960 0.001 0.000 0.264 69 G HA3 0.224 4.185 3.960 0.001 0.000 0.264 69 G C -0.704 174.085 174.900 -0.184 0.000 1.200 69 G CA -0.391 44.436 45.100 -0.455 0.000 0.896 69 G HN 0.231 nan 8.290 nan 0.000 0.536 70 E N -0.499 119.551 120.200 -0.251 0.000 2.283 70 E HA 0.544 4.894 4.350 0.001 0.000 0.278 70 E C 0.681 177.194 176.600 -0.146 0.000 1.027 70 E CA 0.076 56.416 56.400 -0.101 0.000 0.843 70 E CB 0.846 30.489 29.700 -0.096 0.000 1.062 70 E HN 0.509 nan 8.360 nan 0.000 0.401 71 G N 3.883 112.612 108.800 -0.117 0.000 3.504 71 G HA2 0.108 4.068 3.960 0.001 0.000 0.162 71 G HA3 0.108 4.068 3.960 0.001 0.000 0.162 71 G C -0.645 174.119 174.900 -0.226 0.000 1.311 71 G CA 0.188 45.153 45.100 -0.225 0.000 1.322 71 G HN 0.669 nan 8.290 nan 0.000 0.738 72 N N -0.908 117.590 118.700 -0.337 0.000 3.379 72 N HA 0.317 5.057 4.740 0.001 0.000 0.350 72 N C 0.413 175.817 175.510 -0.177 0.000 1.553 72 N CA -0.662 52.226 53.050 -0.271 0.000 0.712 72 N CB 0.350 38.618 38.487 -0.365 0.000 1.880 72 N HN 0.075 nan 8.380 nan 0.000 0.648 73 N N -0.978 117.548 118.700 -0.291 0.000 2.309 73 N HA 0.034 4.774 4.740 0.001 0.000 0.182 73 N C 0.419 175.558 175.510 -0.618 0.000 1.018 73 N CA 1.136 53.875 53.050 -0.519 0.000 0.876 73 N CB -0.260 37.740 38.487 -0.812 0.000 0.972 73 N HN 0.442 nan 8.380 nan 0.000 0.434 74 F N -0.674 119.244 119.950 -0.053 0.000 2.500 74 F HA 0.226 4.754 4.527 0.002 0.000 0.285 74 F C 0.573 176.374 175.800 0.002 0.000 1.088 74 F CA -0.252 57.754 58.000 0.009 0.000 1.432 74 F CB 0.021 39.140 39.000 0.199 0.000 1.131 74 F HN -0.164 nan 8.300 nan 0.000 0.582 75 F N -1.800 118.042 119.950 -0.178 0.000 2.662 75 F HA 0.833 5.360 4.527 0.000 0.000 0.312 75 F C 0.394 175.595 175.800 -0.998 0.000 1.113 75 F CA -1.710 55.936 58.000 -0.591 0.000 0.951 75 F CB 0.426 39.297 39.000 -0.215 0.000 1.344 75 F HN -0.071 nan 8.300 nan 0.000 0.462 76 G N 0.792 109.172 108.800 -0.701 0.000 3.224 76 G HA2 0.400 4.360 3.960 0.001 0.000 0.161 76 G HA3 0.400 4.360 3.960 0.001 0.000 0.161 76 G C -0.915 173.901 174.900 -0.140 0.000 1.872 76 G CA 0.261 45.093 45.100 -0.448 0.000 1.012 76 G HN 1.064 nan 8.290 nan 0.000 0.504 77 N N -2.020 116.598 118.700 -0.138 0.000 3.157 77 N HA 0.418 5.159 4.740 0.001 0.000 0.291 77 N C -0.268 175.188 175.510 -0.090 0.000 1.515 77 N CA -0.599 52.392 53.050 -0.099 0.000 0.807 77 N CB 1.022 39.395 38.487 -0.191 0.000 1.672 77 N HN 0.570 nan 8.380 nan 0.000 0.592 78 I N -4.107 116.421 120.570 -0.071 0.000 3.654 78 I HA 0.484 4.655 4.170 0.001 0.000 0.337 78 I C -0.442 175.663 176.117 -0.020 0.000 1.568 78 I CA -0.585 60.700 61.300 -0.026 0.000 1.115 78 I CB -0.435 37.553 38.000 -0.021 0.000 1.300 78 I HN 0.390 nan 8.210 nan 0.000 0.471 79 N N 0.413 119.048 118.700 -0.107 0.000 2.412 79 N HA 0.039 4.780 4.740 0.001 0.000 0.184 79 N C 0.020 175.592 175.510 0.104 0.000 1.101 79 N CA 0.241 53.239 53.050 -0.086 0.000 0.881 79 N CB 0.169 38.520 38.487 -0.228 0.000 0.969 79 N HN 0.477 nan 8.380 nan 0.000 0.459 80 W N 1.245 122.580 121.300 0.058 0.000 2.390 80 W HA 0.370 5.031 4.660 0.001 0.000 0.397 80 W C -0.697 175.856 176.519 0.057 0.000 0.839 80 W CA -1.097 56.294 57.345 0.078 0.000 2.576 80 W CB -0.755 28.788 29.460 0.139 0.000 1.346 80 W HN -0.070 nan 8.180 nan 0.000 0.708 81 L N 2.090 123.450 121.223 0.228 0.000 2.477 81 L HA 0.011 4.352 4.340 0.001 0.000 0.272 81 L C 1.203 178.145 176.870 0.121 0.000 1.157 81 L CA 0.542 55.475 54.840 0.155 0.000 0.889 81 L CB 0.034 42.163 42.059 0.116 0.000 1.158 81 L HN 0.068 nan 8.230 nan 0.000 0.473 82 M N 4.746 124.394 119.600 0.080 0.000 2.576 82 M HA -0.248 4.233 4.480 0.001 0.000 0.200 82 M C 0.677 176.989 176.300 0.020 0.000 0.487 82 M CA 0.503 55.825 55.300 0.037 0.000 0.553 82 M CB -1.702 30.927 32.600 0.048 0.000 2.042 82 M HN 0.719 nan 8.290 nan 0.000 0.758 83 L N -1.820 119.415 121.223 0.021 0.000 4.040 83 L HA -0.260 4.080 4.340 0.001 0.000 0.410 83 L C 0.979 177.878 176.870 0.048 0.000 1.187 83 L CA 1.465 56.279 54.840 -0.044 0.000 0.956 83 L CB -1.997 39.899 42.059 -0.271 0.000 2.022 83 L HN 0.671 nan 8.230 nan 0.000 0.897 84 K N -0.354 120.126 120.400 0.132 0.000 2.258 84 K HA 0.314 4.635 4.320 0.001 0.000 0.264 84 K C 1.082 177.816 176.600 0.223 0.000 1.007 84 K CA 0.083 56.458 56.287 0.147 0.000 0.941 84 K CB 0.407 32.988 32.500 0.134 0.000 0.966 84 K HN 0.187 nan 8.250 nan 0.000 0.480 85 N N -0.526 118.284 118.700 0.184 0.000 2.936 85 N HA -0.182 4.559 4.740 0.001 0.000 0.236 85 N C -0.902 174.721 175.510 0.187 0.000 0.930 85 N CA 1.342 54.528 53.050 0.227 0.000 0.966 85 N CB -1.348 37.339 38.487 0.334 0.000 1.090 85 N HN 0.671 nan 8.380 nan 0.000 0.592 86 I N 1.859 122.467 120.570 0.063 0.000 2.307 86 I HA 0.099 4.269 4.170 0.001 0.000 0.287 86 I C 0.513 176.676 176.117 0.078 0.000 1.054 86 I CA -0.476 60.798 61.300 -0.043 0.000 1.218 86 I CB 0.780 38.626 38.000 -0.256 0.000 1.398 86 I HN -0.138 nan 8.210 nan 0.000 0.475 87 E N 4.107 124.342 120.200 0.059 0.000 2.415 87 E HA -0.049 4.302 4.350 0.001 0.000 0.262 87 E C 0.876 177.463 176.600 -0.023 0.000 1.038 87 E CA -0.162 56.253 56.400 0.026 0.000 0.921 87 E CB 1.395 31.111 29.700 0.026 0.000 0.950 87 E HN 0.445 nan 8.360 nan 0.000 0.438 88 L N 3.538 124.672 121.223 -0.148 0.000 2.079 88 L HA -0.200 4.141 4.340 0.001 0.000 0.210 88 L C 2.054 178.737 176.870 -0.311 0.000 1.081 88 L CA 2.475 57.082 54.840 -0.389 0.000 0.752 88 L CB -0.902 40.904 42.059 -0.422 0.000 0.896 88 L HN 0.688 nan 8.230 nan 0.000 0.433 89 T N -2.634 111.831 114.554 -0.149 0.000 3.129 89 T HA 0.375 4.725 4.350 0.001 0.000 0.251 89 T C 0.871 175.697 174.700 0.209 0.000 1.117 89 T CA 0.130 62.231 62.100 0.002 0.000 1.034 89 T CB -0.749 68.140 68.868 0.035 0.000 0.968 89 T HN 0.405 nan 8.240 nan 0.000 0.526 90 A N 1.359 124.255 122.820 0.128 0.000 2.540 90 A HA 0.511 4.832 4.320 0.001 0.000 0.239 90 A C 0.202 177.881 177.584 0.159 0.000 1.061 90 A CA -0.315 51.792 52.037 0.118 0.000 0.758 90 A CB 0.080 19.120 19.000 0.067 0.000 0.991 90 A HN 0.378 nan 8.150 nan 0.000 0.502 91 V N 3.429 123.383 119.914 0.067 0.000 2.483 91 V HA 0.560 4.681 4.120 0.001 0.000 0.295 91 V C -0.052 176.017 176.094 -0.041 0.000 1.035 91 V CA -0.365 61.923 62.300 -0.020 0.000 0.896 91 V CB 1.508 33.276 31.823 -0.091 0.000 0.986 91 V HN 0.969 nan 8.190 nan 0.000 0.447 92 M N 4.617 124.165 119.600 -0.086 0.000 2.093 92 M HA 0.710 5.191 4.480 0.001 0.000 0.297 92 M C 0.332 176.536 176.300 -0.160 0.000 0.938 92 M CA 1.027 56.241 55.300 -0.143 0.000 0.920 92 M CB 0.792 33.238 32.600 -0.257 0.000 1.517 92 M HN 1.058 nan 8.290 nan 0.000 0.427 93 G N 3.093 111.818 108.800 -0.126 0.000 2.559 93 G HA2 -0.292 3.668 3.960 0.001 0.000 0.282 93 G HA3 -0.292 3.668 3.960 0.001 0.000 0.282 93 G C 0.293 175.130 174.900 -0.104 0.000 1.177 93 G CA 0.549 45.583 45.100 -0.110 0.000 0.960 93 G HN 1.571 nan 8.290 nan 0.000 0.540 94 S N 0.427 116.060 115.700 -0.112 0.000 2.749 94 S HA 0.633 5.104 4.470 0.001 0.000 0.246 94 S C 0.564 175.064 174.600 -0.167 0.000 1.023 94 S CA 0.538 58.664 58.200 -0.124 0.000 1.012 94 S CB -0.412 62.732 63.200 -0.093 0.000 0.942 94 S HN 1.717 nan 8.310 nan 0.000 0.531 95 I N -2.888 117.576 120.570 -0.176 0.000 3.042 95 I HA 0.690 4.860 4.170 0.001 0.000 0.310 95 I C -1.124 174.871 176.117 -0.202 0.000 1.117 95 I CA -1.785 59.395 61.300 -0.200 0.000 1.003 95 I CB 0.907 38.855 38.000 -0.087 0.000 1.228 95 I HN -0.130 nan 8.210 nan 0.000 0.443 96 Y N 1.670 121.962 120.300 -0.013 0.000 2.497 96 Y HA 0.037 4.587 4.550 0.000 0.000 0.334 96 Y C 1.709 177.620 175.900 0.017 0.000 1.199 96 Y CA 0.428 58.526 58.100 -0.003 0.000 1.425 96 Y CB 0.524 38.981 38.460 -0.004 0.000 1.291 96 Y HN 0.660 nan 8.280 nan 0.000 0.562 97 Q N 1.618 121.528 119.800 0.185 0.000 2.170 97 Q HA -0.236 4.104 4.340 0.001 0.000 0.203 97 Q C 1.237 177.274 176.000 0.061 0.000 0.976 97 Q CA 1.595 57.444 55.803 0.077 0.000 0.858 97 Q CB -0.170 28.559 28.738 -0.016 0.000 0.907 97 Q HN 0.855 nan 8.270 nan 0.000 0.433 98 Y N 0.358 120.620 120.300 -0.064 0.000 2.207 98 Y HA -0.241 4.309 4.550 0.001 0.000 0.287 98 Y C 1.890 177.754 175.900 -0.060 0.000 1.156 98 Y CA 1.308 59.343 58.100 -0.107 0.000 1.182 98 Y CB -0.116 38.291 38.460 -0.088 0.000 0.979 98 Y HN 0.184 nan 8.280 nan 0.000 0.521 99 I N -1.446 119.219 120.570 0.158 0.000 2.315 99 I HA -0.314 3.857 4.170 0.001 0.000 0.248 99 I C 2.605 178.769 176.117 0.078 0.000 1.117 99 I CA 1.439 62.803 61.300 0.106 0.000 1.404 99 I CB -0.537 37.527 38.000 0.107 0.000 1.071 99 I HN 0.317 nan 8.210 nan 0.000 0.419 100 H N 0.952 119.993 119.070 -0.048 0.000 2.353 100 H HA -0.125 4.431 4.556 0.001 0.000 0.300 100 H C 2.299 177.586 175.328 -0.069 0.000 1.090 100 H CA 1.790 57.798 56.048 -0.067 0.000 1.327 100 H CB 0.254 29.965 29.762 -0.084 0.000 1.383 100 H HN 0.113 nan 8.280 nan 0.000 0.508 101 V N 1.438 121.183 119.914 -0.282 0.000 2.255 101 V HA -0.299 3.821 4.120 0.001 0.000 0.247 101 V C 3.072 179.149 176.094 -0.027 0.000 1.051 101 V CA 1.792 63.804 62.300 -0.480 0.000 1.018 101 V CB -1.236 30.128 31.823 -0.765 0.000 0.641 101 V HN 0.598 nan 8.190 nan 0.000 0.445 102 A N -0.584 122.207 122.820 -0.049 0.000 1.858 102 A HA -0.249 4.071 4.320 0.001 0.000 0.216 102 A C 2.130 179.710 177.584 -0.007 0.000 1.190 102 A CA 2.140 54.177 52.037 -0.000 0.000 0.617 102 A CB -0.804 18.214 19.000 0.031 0.000 0.827 102 A HN 0.504 nan 8.150 nan 0.000 0.443 103 F N 0.641 120.517 119.950 -0.124 0.000 2.069 103 F HA -0.240 4.287 4.527 0.001 0.000 0.298 103 F C 2.585 178.272 175.800 -0.189 0.000 1.113 103 F CA 2.334 60.251 58.000 -0.138 0.000 1.214 103 F CB -0.207 38.678 39.000 -0.191 0.000 0.978 103 F HN 0.211 nan 8.300 nan 0.000 0.474 104 Q N 0.234 119.892 119.800 -0.236 0.000 2.124 104 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 104 Q C 2.564 178.250 176.000 -0.524 0.000 0.977 104 Q CA 1.393 57.011 55.803 -0.309 0.000 0.850 104 Q CB -1.384 27.269 28.738 -0.143 0.000 0.901 104 Q HN 0.582 nan 8.270 nan 0.000 0.429 105 G N 1.086 109.469 108.800 -0.695 0.000 2.422 105 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 105 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 105 G C 1.649 176.114 174.900 -0.725 0.000 1.146 105 G CA 1.411 45.650 45.100 -1.436 0.000 0.769 105 G HN 0.520 nan 8.290 nan 0.000 0.547 106 S N 0.098 115.572 115.700 -0.377 0.000 2.419 106 S HA -0.038 4.432 4.470 0.001 0.000 0.233 106 S C 2.051 176.536 174.600 -0.192 0.000 1.016 106 S CA 0.983 59.058 58.200 -0.209 0.000 0.974 106 S CB -0.475 62.645 63.200 -0.134 0.000 0.786 106 S HN 0.165 nan 8.310 nan 0.000 0.492 107 F N 2.326 122.013 119.950 -0.439 0.000 2.206 107 F HA 0.291 4.819 4.527 0.000 0.000 0.298 107 F C 2.793 178.412 175.800 -0.302 0.000 1.090 107 F CA 0.195 58.048 58.000 -0.246 0.000 1.323 107 F CB -0.987 37.924 39.000 -0.149 0.000 1.028 107 F HN 0.315 nan 8.300 nan 0.000 0.492 108 A N -0.992 121.539 122.820 -0.481 0.000 1.902 108 A HA -0.188 4.133 4.320 0.001 0.000 0.217 108 A C 2.365 179.675 177.584 -0.457 0.000 1.181 108 A CA 1.769 53.244 52.037 -0.937 0.000 0.623 108 A CB -1.462 16.915 19.000 -1.038 0.000 0.818 108 A HN 0.446 nan 8.150 nan 0.000 0.443 109 C N -1.163 117.957 119.300 -0.300 0.000 2.442 109 C HA -0.121 4.339 4.460 0.001 0.000 0.279 109 C C 2.480 177.461 174.990 -0.015 0.000 1.237 109 C CA 1.175 60.145 59.018 -0.080 0.000 1.722 109 C CB -1.286 26.488 27.740 0.057 0.000 2.056 109 C HN 0.694 nan 8.230 nan 0.000 0.469 110 I N 1.280 121.805 120.570 -0.075 0.000 2.286 110 I HA -0.172 3.998 4.170 0.001 0.000 0.248 110 I C 2.332 178.413 176.117 -0.060 0.000 1.115 110 I CA 1.918 63.157 61.300 -0.102 0.000 1.392 110 I CB -0.714 37.145 38.000 -0.235 0.000 1.065 110 I HN 0.332 nan 8.210 nan 0.000 0.418 111 T N -0.213 114.330 114.554 -0.019 0.000 2.684 111 T HA -0.158 4.192 4.350 0.001 0.000 0.267 111 T C 2.029 176.787 174.700 0.097 0.000 1.036 111 T CA 1.904 64.065 62.100 0.101 0.000 1.148 111 T CB -0.602 68.400 68.868 0.224 0.000 0.863 111 T HN 0.221 nan 8.240 nan 0.000 0.436 112 V N 1.398 121.360 119.914 0.080 0.000 2.358 112 V HA -0.074 4.047 4.120 0.001 0.000 0.246 112 V C 2.886 179.017 176.094 0.062 0.000 1.047 112 V CA 1.894 64.248 62.300 0.091 0.000 1.035 112 V CB -1.345 30.544 31.823 0.109 0.000 0.658 112 V HN 0.617 nan 8.190 nan 0.000 0.452 113 G N -0.168 108.666 108.800 0.055 0.000 2.442 113 G HA2 -0.219 3.741 3.960 0.001 0.000 0.219 113 G HA3 -0.219 3.741 3.960 0.001 0.000 0.219 113 G C 1.567 176.511 174.900 0.074 0.000 1.141 113 G CA 0.907 46.039 45.100 0.054 0.000 0.763 113 G HN 0.470 nan 8.290 nan 0.000 0.554 114 L N -0.094 121.156 121.223 0.044 0.000 2.042 114 L HA -0.077 4.264 4.340 0.001 0.000 0.210 114 L C 2.826 179.827 176.870 0.218 0.000 1.076 114 L CA 0.914 55.796 54.840 0.070 0.000 0.749 114 L CB -0.373 41.604 42.059 -0.137 0.000 0.893 114 L HN 0.249 nan 8.230 nan 0.000 0.432 115 I N -1.322 119.324 120.570 0.126 0.000 2.235 115 I HA -0.176 3.995 4.170 0.001 0.000 0.241 115 I C 2.411 178.534 176.117 0.010 0.000 1.085 115 I CA 0.654 62.018 61.300 0.106 0.000 1.378 115 I CB -0.316 37.611 38.000 -0.122 0.000 1.076 115 I HN -0.057 nan 8.210 nan 0.000 0.415 116 V N 1.408 121.300 119.914 -0.036 0.000 2.407 116 V HA -0.193 3.927 4.120 0.001 0.000 0.248 116 V C 2.637 178.592 176.094 -0.231 0.000 1.055 116 V CA 2.136 64.379 62.300 -0.096 0.000 1.049 116 V CB -1.533 30.270 31.823 -0.032 0.000 0.662 116 V HN 0.585 nan 8.190 nan 0.000 0.455 117 G N -0.355 108.247 108.800 -0.330 0.000 2.442 117 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 117 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 117 G C 1.701 175.895 174.900 -1.178 0.000 1.141 117 G CA 1.108 45.814 45.100 -0.655 0.000 0.763 117 G HN 0.619 nan 8.290 nan 0.000 0.554 118 A N 0.119 122.198 122.820 -1.235 0.000 1.930 118 A HA 0.316 4.637 4.320 0.001 0.000 0.215 118 A C 2.285 179.706 177.584 -0.270 0.000 1.176 118 A CA 0.780 52.367 52.037 -0.750 0.000 0.632 118 A CB -0.185 18.565 19.000 -0.417 0.000 0.819 118 A HN 0.325 nan 8.150 nan 0.000 0.445 119 L N -0.877 120.238 121.223 -0.180 0.000 2.509 119 L HA 0.078 4.419 4.340 0.001 0.000 0.222 119 L C 2.810 179.584 176.870 -0.159 0.000 1.123 119 L CA 0.459 55.217 54.840 -0.137 0.000 0.856 119 L CB -0.341 41.635 42.059 -0.138 0.000 0.985 119 L HN 0.396 nan 8.230 nan 0.000 0.456 120 A N 0.606 123.311 122.820 -0.192 0.000 1.927 120 A HA -0.299 4.021 4.320 0.001 0.000 0.220 120 A C 2.168 179.662 177.584 -0.151 0.000 1.185 120 A CA 2.091 54.014 52.037 -0.189 0.000 0.639 120 A CB -0.460 18.415 19.000 -0.208 0.000 0.820 120 A HN 0.458 nan 8.150 nan 0.000 0.451 121 E N -1.080 119.042 120.200 -0.130 0.000 2.070 121 E HA -0.229 4.121 4.350 0.001 0.000 0.197 121 E C 2.147 178.696 176.600 -0.084 0.000 1.004 121 E CA 1.616 57.959 56.400 -0.095 0.000 0.805 121 E CB -0.106 29.546 29.700 -0.080 0.000 0.744 121 E HN 0.588 nan 8.360 nan 0.000 0.451 122 R N -0.466 119.979 120.500 -0.092 0.000 2.312 122 R HA 0.284 4.625 4.340 0.001 0.000 0.205 122 R C 0.530 176.777 176.300 -0.088 0.000 0.904 122 R CA -0.133 55.916 56.100 -0.086 0.000 1.052 122 R CB 0.626 30.869 30.300 -0.094 0.000 1.014 122 R HN 0.110 nan 8.270 nan 0.000 0.503 123 I N 0.784 121.298 120.570 -0.093 0.000 2.493 123 I HA 0.238 4.408 4.170 0.001 0.000 0.298 123 I C -0.146 175.948 176.117 -0.040 0.000 0.998 123 I CA -1.214 60.042 61.300 -0.072 0.000 1.137 123 I CB 1.229 39.181 38.000 -0.081 0.000 1.310 123 I HN -0.013 nan 8.210 nan 0.000 0.445 124 R N 4.691 125.193 120.500 0.004 0.000 2.590 124 R HA -0.013 4.327 4.340 0.001 0.000 0.274 124 R C 0.451 176.824 176.300 0.120 0.000 1.061 124 R CA -0.001 56.133 56.100 0.057 0.000 1.081 124 R CB 0.465 30.803 30.300 0.063 0.000 0.984 124 R HN 0.671 nan 8.270 nan 0.000 0.448 125 F N 2.550 122.510 119.950 0.015 0.000 2.043 125 F HA -0.287 4.240 4.527 0.000 0.000 0.297 125 F C 2.484 178.308 175.800 0.040 0.000 1.121 125 F CA 2.535 60.551 58.000 0.027 0.000 1.199 125 F CB -0.682 38.332 39.000 0.023 0.000 0.968 125 F HN 0.733 nan 8.300 nan 0.000 0.478 126 S N 0.207 116.094 115.700 0.311 0.000 2.400 126 S HA -0.163 4.307 4.470 0.001 0.000 0.232 126 S C 2.240 176.944 174.600 0.174 0.000 1.025 126 S CA 0.977 59.286 58.200 0.182 0.000 0.993 126 S CB -1.218 62.035 63.200 0.087 0.000 0.808 126 S HN 0.409 nan 8.310 nan 0.000 0.478 127 A N 1.206 124.121 122.820 0.159 0.000 1.898 127 A HA 0.073 4.394 4.320 0.001 0.000 0.216 127 A C 2.431 180.128 177.584 0.188 0.000 1.181 127 A CA 1.455 53.579 52.037 0.144 0.000 0.620 127 A CB -1.171 17.893 19.000 0.106 0.000 0.819 127 A HN 0.528 nan 8.150 nan 0.000 0.442 128 V N -0.044 119.978 119.914 0.181 0.000 2.515 128 V HA -0.167 3.953 4.120 0.001 0.000 0.250 128 V C 2.366 178.613 176.094 0.255 0.000 1.058 128 V CA 1.891 64.306 62.300 0.192 0.000 1.064 128 V CB -0.410 31.454 31.823 0.068 0.000 0.675 128 V HN 0.583 nan 8.190 nan 0.000 0.461 129 L N -0.724 120.653 121.223 0.256 0.000 2.056 129 L HA -0.149 4.191 4.340 0.001 0.000 0.207 129 L C 2.321 179.293 176.870 0.171 0.000 1.078 129 L CA 1.766 56.740 54.840 0.223 0.000 0.749 129 L CB -0.449 41.738 42.059 0.213 0.000 0.901 129 L HN 0.277 nan 8.230 nan 0.000 0.433 130 I N -0.897 119.771 120.570 0.162 0.000 2.202 130 I HA -0.327 3.843 4.170 0.001 0.000 0.242 130 I C 2.489 178.677 176.117 0.120 0.000 1.091 130 I CA 1.432 62.806 61.300 0.122 0.000 1.368 130 I CB -0.320 37.746 38.000 0.110 0.000 1.058 130 I HN 0.142 nan 8.210 nan 0.000 0.410 131 F N 1.374 121.342 119.950 0.030 0.000 2.091 131 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 131 F C 2.369 178.192 175.800 0.039 0.000 1.103 131 F CA 1.776 59.754 58.000 -0.036 0.000 1.228 131 F CB -0.501 38.418 39.000 -0.135 0.000 0.984 131 F HN -0.224 nan 8.300 nan 0.000 0.477 132 V N 0.025 119.992 119.914 0.087 0.000 2.287 132 V HA -0.341 3.780 4.120 0.001 0.000 0.248 132 V C 2.433 178.535 176.094 0.013 0.000 1.053 132 V CA 1.822 64.149 62.300 0.045 0.000 1.027 132 V CB -0.857 31.069 31.823 0.171 0.000 0.646 132 V HN 0.342 nan 8.190 nan 0.000 0.447 133 V N -0.355 119.587 119.914 0.048 0.000 2.255 133 V HA -0.266 3.854 4.120 0.001 0.000 0.247 133 V C 2.403 178.516 176.094 0.032 0.000 1.051 133 V CA 2.233 64.576 62.300 0.072 0.000 1.018 133 V CB -0.578 31.294 31.823 0.083 0.000 0.641 133 V HN 0.406 nan 8.190 nan 0.000 0.445 134 V N -1.445 118.444 119.914 -0.040 0.000 2.287 134 V HA -0.309 3.812 4.120 0.001 0.000 0.248 134 V C 1.978 178.022 176.094 -0.084 0.000 1.053 134 V CA 2.587 64.847 62.300 -0.068 0.000 1.027 134 V CB -0.723 31.046 31.823 -0.090 0.000 0.646 134 V HN 0.791 nan 8.190 nan 0.000 0.447 135 W N 0.014 121.045 121.300 -0.449 0.000 2.418 135 W HA -0.071 4.588 4.660 -0.000 0.000 0.292 135 W C 2.159 178.614 176.519 -0.107 0.000 1.213 135 W CA 1.388 58.493 57.345 -0.400 0.000 1.283 135 W CB -0.074 28.843 29.460 -0.905 0.000 1.119 135 W HN 0.215 nan 8.180 nan 0.000 0.542 136 L N 0.328 121.609 121.223 0.098 0.000 2.027 136 L HA -0.154 4.186 4.340 0.001 0.000 0.206 136 L C 2.277 179.191 176.870 0.074 0.000 1.074 136 L CA 2.699 57.601 54.840 0.104 0.000 0.745 136 L CB -1.153 41.006 42.059 0.168 0.000 0.898 136 L HN -0.134 nan 8.230 nan 0.000 0.433 137 T N -0.183 114.429 114.554 0.097 0.000 2.777 137 T HA -0.095 4.255 4.350 0.001 0.000 0.266 137 T C 1.750 176.471 174.700 0.035 0.000 1.040 137 T CA 1.876 64.057 62.100 0.135 0.000 1.141 137 T CB -0.217 68.734 68.868 0.140 0.000 0.868 137 T HN 0.293 nan 8.240 nan 0.000 0.444 138 L N -0.093 121.113 121.223 -0.027 0.000 2.585 138 L HA 0.299 4.639 4.340 0.001 0.000 0.226 138 L C 2.292 179.216 176.870 0.091 0.000 1.113 138 L CA 0.251 55.097 54.840 0.010 0.000 0.876 138 L CB 0.108 42.149 42.059 -0.029 0.000 1.072 138 L HN 0.208 nan 8.230 nan 0.000 0.468 139 S N -1.402 114.183 115.700 -0.192 0.000 3.249 139 S HA -0.021 4.450 4.470 0.001 0.000 0.237 139 S C 1.721 176.016 174.600 -0.508 0.000 1.007 139 S CA -0.145 57.858 58.200 -0.327 0.000 0.811 139 S CB -0.271 62.387 63.200 -0.904 0.000 0.832 139 S HN 0.301 nan 8.310 nan 0.000 0.573 140 Y N 2.586 122.406 120.300 -0.801 0.000 2.097 140 Y HA -0.074 4.476 4.550 0.000 0.000 0.282 140 Y C 1.962 177.752 175.900 -0.183 0.000 1.152 140 Y CA 2.161 59.976 58.100 -0.474 0.000 1.136 140 Y CB -0.419 37.850 38.460 -0.317 0.000 0.975 140 Y HN 0.315 nan 8.280 nan 0.000 0.498 141 I N 0.067 120.651 120.570 0.024 0.000 2.099 141 I HA -0.277 3.893 4.170 0.001 0.000 0.239 141 I C -0.619 175.423 176.117 -0.125 0.000 1.066 141 I CA 1.600 62.932 61.300 0.053 0.000 1.324 141 I CB -1.595 36.496 38.000 0.151 0.000 1.037 141 I HN 0.218 nan 8.210 nan 0.000 0.401 142 P HA -0.149 nan 4.420 nan 0.000 0.215 142 P C 1.873 178.924 177.300 -0.415 0.000 1.157 142 P CA 1.619 64.621 63.100 -0.164 0.000 0.868 142 P CB -0.032 31.631 31.700 -0.062 0.000 0.788 143 I N -0.768 119.440 120.570 -0.604 0.000 2.286 143 I HA -0.248 3.922 4.170 0.001 0.000 0.248 143 I C 2.313 178.064 176.117 -0.608 0.000 1.115 143 I CA 1.451 62.367 61.300 -0.640 0.000 1.392 143 I CB -0.790 36.852 38.000 -0.597 0.000 1.065 143 I HN -0.080 nan 8.210 nan 0.000 0.418 144 A N 0.159 122.584 122.820 -0.657 0.000 1.902 144 A HA -0.297 4.024 4.320 0.001 0.000 0.217 144 A C 2.187 179.481 177.584 -0.484 0.000 1.181 144 A CA 2.032 53.705 52.037 -0.607 0.000 0.623 144 A CB -0.954 17.766 19.000 -0.466 0.000 0.818 144 A HN 0.505 nan 8.150 nan 0.000 0.443 145 H N -0.579 118.190 119.070 -0.501 0.000 2.353 145 H HA -0.025 4.531 4.556 0.001 0.000 0.300 145 H C 1.964 177.083 175.328 -0.348 0.000 1.090 145 H CA 2.219 58.006 56.048 -0.434 0.000 1.327 145 H CB -0.221 29.356 29.762 -0.309 0.000 1.383 145 H HN 0.414 nan 8.280 nan 0.000 0.508 146 M N -0.899 118.481 119.600 -0.367 0.000 2.175 146 M HA -0.126 4.354 4.480 0.001 0.000 0.264 146 M C 1.970 178.056 176.300 -0.357 0.000 1.063 146 M CA 1.172 56.242 55.300 -0.384 0.000 1.119 146 M CB 0.248 32.617 32.600 -0.385 0.000 1.377 146 M HN 0.206 nan 8.290 nan 0.000 0.415 147 V N -2.106 117.560 119.914 -0.413 0.000 2.436 147 V HA -0.104 4.016 4.120 0.001 0.000 0.240 147 V C 1.355 177.317 176.094 -0.220 0.000 1.040 147 V CA 1.099 63.155 62.300 -0.406 0.000 1.052 147 V CB -0.222 31.191 31.823 -0.683 0.000 0.707 147 V HN 0.550 nan 8.190 nan 0.000 0.469 148 W N 0.226 121.452 121.300 -0.123 0.000 3.008 148 W HA 0.513 5.174 4.660 0.001 0.000 0.355 148 W C 1.530 178.058 176.519 0.015 0.000 1.095 148 W CA 0.257 57.610 57.345 0.014 0.000 1.738 148 W CB -0.192 29.382 29.460 0.189 0.000 1.091 148 W HN 0.329 nan 8.180 nan 0.000 0.574 149 G N -0.391 108.327 108.800 -0.136 0.000 3.805 149 G HA2 0.369 4.329 3.960 0.001 0.000 0.290 149 G HA3 0.369 4.329 3.960 0.001 0.000 0.290 149 G C 1.163 175.768 174.900 -0.491 0.000 1.077 149 G CA 0.110 45.011 45.100 -0.333 0.000 0.852 149 G HN 0.223 nan 8.290 nan 0.000 0.531 150 G N -0.692 107.943 108.800 -0.275 0.000 2.160 150 G HA2 -0.040 3.921 3.960 0.001 0.000 0.251 150 G HA3 -0.040 3.921 3.960 0.001 0.000 0.251 150 G C 0.840 175.539 174.900 -0.335 0.000 1.008 150 G CA 0.389 45.351 45.100 -0.230 0.000 0.724 150 G HN 1.009 nan 8.290 nan 0.000 0.514 151 G N -1.213 107.296 108.800 -0.485 0.000 2.508 151 G HA2 0.554 4.515 3.960 0.001 0.000 0.278 151 G HA3 0.554 4.515 3.960 0.001 0.000 0.278 151 G C 1.319 176.043 174.900 -0.294 0.000 1.389 151 G CA 0.093 44.939 45.100 -0.422 0.000 1.050 151 G HN 0.895 nan 8.290 nan 0.000 0.522 152 L N -0.531 120.485 121.223 -0.345 0.000 2.030 152 L HA -0.198 4.142 4.340 0.001 0.000 0.222 152 L C 2.777 179.642 176.870 -0.007 0.000 1.082 152 L CA 1.933 56.647 54.840 -0.211 0.000 0.785 152 L CB -0.573 41.262 42.059 -0.373 0.000 0.895 152 L HN 0.513 nan 8.230 nan 0.000 0.439 153 L N -1.377 119.786 121.223 -0.101 0.000 2.027 153 L HA -0.132 4.208 4.340 0.001 0.000 0.206 153 L C 2.662 179.527 176.870 -0.007 0.000 1.074 153 L CA 1.124 55.937 54.840 -0.045 0.000 0.745 153 L CB -1.036 40.956 42.059 -0.112 0.000 0.898 153 L HN 0.380 nan 8.230 nan 0.000 0.433 154 A N 0.423 123.206 122.820 -0.061 0.000 1.902 154 A HA -0.215 4.105 4.320 0.001 0.000 0.217 154 A C 2.499 180.067 177.584 -0.026 0.000 1.181 154 A CA 1.927 53.951 52.037 -0.022 0.000 0.623 154 A CB -0.769 18.208 19.000 -0.037 0.000 0.818 154 A HN 0.503 nan 8.150 nan 0.000 0.443 155 S N -1.204 114.446 115.700 -0.082 0.000 2.507 155 S HA -0.155 4.315 4.470 0.001 0.000 0.235 155 S C 1.188 175.636 174.600 -0.254 0.000 0.988 155 S CA 1.469 59.574 58.200 -0.160 0.000 0.944 155 S CB -0.632 62.440 63.200 -0.214 0.000 0.762 155 S HN 0.710 nan 8.310 nan 0.000 0.526 156 H N 0.184 119.235 119.070 -0.032 0.000 2.594 156 H HA 0.445 5.001 4.556 0.001 0.000 0.279 156 H C 1.371 176.724 175.328 0.042 0.000 1.042 156 H CA 0.133 56.184 56.048 0.006 0.000 1.177 156 H CB 0.576 30.331 29.762 -0.012 0.000 1.524 156 H HN 0.495 nan 8.280 nan 0.000 0.537 157 G N 0.689 109.548 108.800 0.099 0.000 2.182 157 G HA2 -0.233 3.727 3.960 0.001 0.000 0.248 157 G HA3 -0.233 3.727 3.960 0.001 0.000 0.248 157 G C 0.335 175.286 174.900 0.085 0.000 1.042 157 G CA 0.071 45.225 45.100 0.091 0.000 0.775 157 G HN 0.635 nan 8.290 nan 0.000 0.501 158 A N -0.280 122.583 122.820 0.073 0.000 2.462 158 A HA 0.656 4.977 4.320 0.001 0.000 0.243 158 A C 0.604 178.236 177.584 0.079 0.000 1.076 158 A CA 0.170 52.243 52.037 0.060 0.000 0.773 158 A CB 0.388 19.408 19.000 0.033 0.000 1.010 158 A HN 0.933 nan 8.150 nan 0.000 0.493 159 L N 2.431 123.697 121.223 0.073 0.000 2.287 159 L HA 0.476 4.816 4.340 0.001 0.000 0.287 159 L C -0.545 176.488 176.870 0.271 0.000 1.022 159 L CA -0.280 54.599 54.840 0.065 0.000 0.814 159 L CB 1.340 43.286 42.059 -0.188 0.000 1.217 159 L HN 0.761 nan 8.230 nan 0.000 0.420 160 D N 2.256 122.948 120.400 0.487 0.000 2.491 160 D HA 0.041 4.681 4.640 0.001 0.000 0.232 160 D C 0.127 176.859 176.300 0.720 0.000 1.334 160 D CA -0.429 53.882 54.000 0.519 0.000 0.909 160 D CB 0.535 41.509 40.800 0.290 0.000 1.513 160 D HN 0.283 nan 8.370 nan 0.000 0.514 161 F N 2.874 123.176 119.950 0.588 0.000 2.095 161 F HA 0.030 4.558 4.527 0.001 0.000 0.298 161 F C 1.801 177.810 175.800 0.349 0.000 1.104 161 F CA 2.143 60.351 58.000 0.346 0.000 1.232 161 F CB 0.438 39.438 39.000 -0.000 0.000 0.987 161 F HN 0.430 nan 8.300 nan 0.000 0.475 162 A N -1.506 121.672 122.820 0.596 0.000 2.571 162 A HA 0.554 4.875 4.320 0.001 0.000 0.274 162 A C 0.944 179.005 177.584 0.795 0.000 1.196 162 A CA 0.408 52.746 52.037 0.502 0.000 0.957 162 A CB -0.327 18.966 19.000 0.488 0.000 1.150 162 A HN 0.862 nan 8.150 nan 0.000 0.539 163 G N -1.085 108.214 108.800 0.832 0.000 2.237 163 G HA2 0.015 3.976 3.960 0.001 0.000 0.153 163 G HA3 0.015 3.976 3.960 0.001 0.000 0.153 163 G C 0.996 176.074 174.900 0.298 0.000 1.039 163 G CA 0.239 45.647 45.100 0.514 0.000 0.719 163 G HN 1.130 nan 8.290 nan 0.000 0.491 164 G N 0.054 109.084 108.800 0.383 0.000 2.422 164 G HA2 0.064 4.024 3.960 0.001 0.000 0.218 164 G HA3 0.064 4.024 3.960 0.001 0.000 0.218 164 G C 1.811 176.883 174.900 0.287 0.000 1.146 164 G CA 2.545 47.899 45.100 0.424 0.000 0.769 164 G HN 1.393 nan 8.290 nan 0.000 0.547 165 T N -0.965 113.680 114.554 0.152 0.000 2.818 165 T HA -0.020 4.331 4.350 0.001 0.000 0.246 165 T C 2.302 177.004 174.700 0.004 0.000 1.036 165 T CA 1.224 63.365 62.100 0.068 0.000 1.160 165 T CB -0.732 68.116 68.868 -0.032 0.000 0.869 165 T HN -0.022 nan 8.240 nan 0.000 0.419 166 V N 1.829 121.629 119.914 -0.191 0.000 2.317 166 V HA -0.165 3.956 4.120 0.001 0.000 0.251 166 V C 2.717 178.852 176.094 0.068 0.000 1.065 166 V CA 1.893 64.017 62.300 -0.294 0.000 1.049 166 V CB -0.940 30.416 31.823 -0.780 0.000 0.651 166 V HN 0.453 nan 8.190 nan 0.000 0.450 167 V N -1.041 118.974 119.914 0.169 0.000 2.695 167 V HA -0.014 4.107 4.120 0.001 0.000 0.230 167 V C 2.123 178.390 176.094 0.288 0.000 1.110 167 V CA 1.314 63.770 62.300 0.261 0.000 1.159 167 V CB -0.798 31.120 31.823 0.159 0.000 0.875 167 V HN 0.511 nan 8.190 nan 0.000 0.502 168 H N 0.193 119.526 119.070 0.439 0.000 2.253 168 H HA -0.110 4.446 4.556 0.000 0.000 0.296 168 H C 2.264 177.836 175.328 0.408 0.000 1.074 168 H CA 2.149 58.487 56.048 0.483 0.000 1.263 168 H CB -0.140 29.954 29.762 0.553 0.000 1.363 168 H HN 0.250 nan 8.280 nan 0.000 0.489 169 I N 0.625 121.465 120.570 0.451 0.000 2.226 169 I HA -0.262 3.909 4.170 0.001 0.000 0.245 169 I C 2.430 178.745 176.117 0.330 0.000 1.100 169 I CA 0.872 62.382 61.300 0.349 0.000 1.374 169 I CB -0.270 37.892 38.000 0.270 0.000 1.057 169 I HN 0.300 nan 8.210 nan 0.000 0.413 170 N N 1.403 120.306 118.700 0.338 0.000 2.036 170 N HA -0.208 4.533 4.740 0.001 0.000 0.195 170 N C 1.776 177.616 175.510 0.549 0.000 1.037 170 N CA 2.225 55.541 53.050 0.443 0.000 0.855 170 N CB -0.194 38.542 38.487 0.415 0.000 1.033 170 N HN 0.374 nan 8.380 nan 0.000 0.423 171 A N -0.070 123.011 122.820 0.434 0.000 1.970 171 A HA 0.235 4.555 4.320 0.001 0.000 0.216 171 A C 2.314 179.925 177.584 0.045 0.000 1.170 171 A CA 1.584 53.726 52.037 0.176 0.000 0.645 171 A CB -0.847 18.256 19.000 0.173 0.000 0.816 171 A HN 0.405 nan 8.150 nan 0.000 0.447 172 A N 0.260 123.217 122.820 0.229 0.000 1.902 172 A HA -0.069 4.251 4.320 0.001 0.000 0.217 172 A C 1.987 179.584 177.584 0.023 0.000 1.181 172 A CA 1.622 53.804 52.037 0.242 0.000 0.623 172 A CB -0.451 18.792 19.000 0.406 0.000 0.818 172 A HN 0.400 nan 8.150 nan 0.000 0.443 173 I N -0.148 120.492 120.570 0.117 0.000 2.252 173 I HA -0.194 3.977 4.170 0.001 0.000 0.245 173 I C 2.942 179.087 176.117 0.046 0.000 1.102 173 I CA 1.381 62.750 61.300 0.115 0.000 1.385 173 I CB -1.638 36.488 38.000 0.210 0.000 1.064 173 I HN 0.361 nan 8.210 nan 0.000 0.414 174 A N 1.175 124.004 122.820 0.015 0.000 1.877 174 A HA -0.111 4.209 4.320 0.001 0.000 0.216 174 A C 2.510 179.947 177.584 -0.246 0.000 1.186 174 A CA 1.948 53.937 52.037 -0.081 0.000 0.620 174 A CB -1.360 17.325 19.000 -0.525 0.000 0.822 174 A HN 0.422 nan 8.150 nan 0.000 0.443 175 G N -0.323 108.054 108.800 -0.705 0.000 2.422 175 G HA2 -0.140 3.820 3.960 0.001 0.000 0.218 175 G HA3 -0.140 3.820 3.960 0.001 0.000 0.218 175 G C 1.531 176.005 174.900 -0.710 0.000 1.146 175 G CA 1.038 45.344 45.100 -1.322 0.000 0.769 175 G HN 0.437 nan 8.290 nan 0.000 0.547 176 L N 0.179 121.158 121.223 -0.407 0.000 2.156 176 L HA -0.019 4.322 4.340 0.001 0.000 0.208 176 L C 2.899 179.783 176.870 0.023 0.000 1.095 176 L CA 0.130 54.939 54.840 -0.052 0.000 0.770 176 L CB -0.245 41.847 42.059 0.054 0.000 0.914 176 L HN 0.079 nan 8.230 nan 0.000 0.439 177 V N 0.048 119.993 119.914 0.051 0.000 2.358 177 V HA -0.164 3.956 4.120 0.001 0.000 0.246 177 V C 2.609 178.702 176.094 -0.003 0.000 1.047 177 V CA 1.915 64.323 62.300 0.179 0.000 1.035 177 V CB -1.079 30.959 31.823 0.360 0.000 0.658 177 V HN 0.547 nan 8.190 nan 0.000 0.452 178 G N -0.128 108.529 108.800 -0.239 0.000 2.459 178 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 178 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 178 G C 1.792 176.459 174.900 -0.388 0.000 1.183 178 G CA 1.136 45.773 45.100 -0.771 0.000 0.776 178 G HN 0.603 nan 8.290 nan 0.000 0.552 179 A N -0.166 122.566 122.820 -0.147 0.000 1.940 179 A HA -0.096 4.225 4.320 0.001 0.000 0.219 179 A C 2.245 179.830 177.584 0.002 0.000 1.176 179 A CA 1.818 53.838 52.037 -0.027 0.000 0.631 179 A CB -0.685 18.372 19.000 0.095 0.000 0.814 179 A HN 0.524 nan 8.150 nan 0.000 0.446 180 Y N 0.208 120.462 120.300 -0.076 0.000 2.352 180 Y HA 0.092 4.641 4.550 -0.001 0.000 0.292 180 Y C 0.788 176.654 175.900 -0.058 0.000 1.136 180 Y CA 0.441 58.520 58.100 -0.036 0.000 1.227 180 Y CB -0.222 38.244 38.460 0.010 0.000 0.991 180 Y HN 0.216 nan 8.280 nan 0.000 0.545 196 H N 0.090 119.129 119.070 -0.051 0.000 2.470 196 H HA 0.144 4.701 4.556 0.001 0.000 0.289 196 H C -0.213 175.091 175.328 -0.040 0.000 1.033 196 H CA 0.769 56.793 56.048 -0.040 0.000 1.331 196 H CB 0.589 30.332 29.762 -0.032 0.000 1.414 196 H HN 0.191 nan 8.280 nan 0.000 0.545 197 N N 0.716 119.028 118.700 -0.646 0.000 2.707 197 N HA 0.141 4.882 4.740 0.001 0.000 0.249 197 N C 0.583 175.922 175.510 -0.285 0.000 1.299 197 N CA -0.240 52.553 53.050 -0.427 0.000 0.769 197 N CB 0.614 38.786 38.487 -0.526 0.000 1.236 197 N HN 0.178 nan 8.380 nan 0.000 0.524 198 L N 1.659 122.771 121.223 -0.184 0.000 2.093 198 L HA 0.031 4.371 4.340 0.001 0.000 0.208 198 L C -0.697 176.131 176.870 -0.071 0.000 1.085 198 L CA 1.098 55.856 54.840 -0.137 0.000 0.755 198 L CB -0.915 41.078 42.059 -0.111 0.000 0.904 198 L HN 0.325 nan 8.230 nan 0.000 0.435 199 P HA -0.241 nan 4.420 nan 0.000 0.216 199 P C 1.795 179.128 177.300 0.055 0.000 1.150 199 P CA 1.619 64.725 63.100 0.010 0.000 0.843 199 P CB -0.004 31.685 31.700 -0.019 0.000 0.787 200 M N -0.901 118.677 119.600 -0.037 0.000 2.132 200 M HA -0.125 4.355 4.480 0.001 0.000 0.263 200 M C 1.671 177.931 176.300 -0.066 0.000 1.065 200 M CA 1.735 57.004 55.300 -0.050 0.000 1.122 200 M CB -0.432 32.107 32.600 -0.103 0.000 1.365 200 M HN -0.240 nan 8.290 nan 0.000 0.411 201 V N 0.553 120.389 119.914 -0.130 0.000 2.343 201 V HA -0.292 3.829 4.120 0.001 0.000 0.247 201 V C 2.169 178.235 176.094 -0.046 0.000 1.051 201 V CA 2.139 64.311 62.300 -0.214 0.000 1.036 201 V CB -1.058 30.562 31.823 -0.338 0.000 0.654 201 V HN 0.600 nan 8.190 nan 0.000 0.451 202 F N 1.474 121.355 119.950 -0.114 0.000 2.134 202 F HA -0.200 4.328 4.527 0.001 0.000 0.299 202 F C 2.413 178.194 175.800 -0.032 0.000 1.097 202 F CA 2.254 60.212 58.000 -0.069 0.000 1.264 202 F CB -0.629 38.325 39.000 -0.076 0.000 1.001 202 F HN 0.115 nan 8.300 nan 0.000 0.479 203 T N -0.041 114.481 114.554 -0.053 0.000 2.746 203 T HA -0.122 4.229 4.350 0.001 0.000 0.267 203 T C 2.147 176.738 174.700 -0.180 0.000 1.039 203 T CA 1.461 63.478 62.100 -0.138 0.000 1.142 203 T CB -1.202 67.667 68.868 0.003 0.000 0.866 203 T HN 0.475 nan 8.240 nan 0.000 0.444 204 G N 0.978 109.724 108.800 -0.090 0.000 2.408 204 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 204 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 204 G C 1.714 176.573 174.900 -0.068 0.000 1.150 204 G CA 1.317 46.385 45.100 -0.054 0.000 0.776 204 G HN 0.446 nan 8.290 nan 0.000 0.542 205 T N 1.708 116.249 114.554 -0.021 0.000 2.746 205 T HA -0.010 4.340 4.350 0.001 0.000 0.267 205 T C 2.820 177.399 174.700 -0.201 0.000 1.039 205 T CA 1.516 63.564 62.100 -0.087 0.000 1.142 205 T CB -0.358 68.469 68.868 -0.069 0.000 0.866 205 T HN 0.368 nan 8.240 nan 0.000 0.444 206 A N 1.183 123.785 122.820 -0.363 0.000 1.877 206 A HA -0.029 4.292 4.320 0.001 0.000 0.216 206 A C 2.299 179.818 177.584 -0.107 0.000 1.186 206 A CA 1.292 53.153 52.037 -0.293 0.000 0.620 206 A CB -0.813 17.884 19.000 -0.506 0.000 0.822 206 A HN 0.517 nan 8.150 nan 0.000 0.443 207 I N -0.494 119.943 120.570 -0.222 0.000 2.286 207 I HA -0.249 3.922 4.170 0.001 0.000 0.248 207 I C 2.370 178.309 176.117 -0.297 0.000 1.115 207 I CA 0.957 62.025 61.300 -0.387 0.000 1.392 207 I CB -0.275 37.316 38.000 -0.683 0.000 1.065 207 I HN 0.299 nan 8.210 nan 0.000 0.418 208 L N -0.593 120.519 121.223 -0.186 0.000 2.017 208 L HA -0.268 4.072 4.340 0.001 0.000 0.208 208 L C 2.664 179.609 176.870 0.124 0.000 1.073 208 L CA 1.499 56.295 54.840 -0.073 0.000 0.745 208 L CB -0.763 41.263 42.059 -0.054 0.000 0.894 208 L HN 0.239 nan 8.230 nan 0.000 0.432 209 Y N 0.687 120.962 120.300 -0.041 0.000 2.070 209 Y HA -0.307 4.243 4.550 0.000 0.000 0.280 209 Y C 2.475 178.417 175.900 0.069 0.000 1.148 209 Y CA 1.624 59.692 58.100 -0.054 0.000 1.125 209 Y CB -0.184 38.225 38.460 -0.085 0.000 0.975 209 Y HN -0.033 nan 8.280 nan 0.000 0.492 210 I N 0.385 121.013 120.570 0.097 0.000 2.179 210 I HA -0.241 3.929 4.170 0.001 0.000 0.242 210 I C 2.717 178.980 176.117 0.244 0.000 1.088 210 I CA 1.702 63.119 61.300 0.194 0.000 1.357 210 I CB -2.084 36.080 38.000 0.273 0.000 1.051 210 I HN 0.434 nan 8.210 nan 0.000 0.409 211 G N -0.267 108.637 108.800 0.173 0.000 2.422 211 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 211 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 211 G C 1.550 176.512 174.900 0.104 0.000 1.146 211 G CA 0.104 45.307 45.100 0.172 0.000 0.769 211 G HN 0.375 nan 8.290 nan 0.000 0.547 212 W N 0.680 121.862 121.300 -0.197 0.000 2.389 212 W HA -0.035 4.625 4.660 0.000 0.000 0.267 212 W C 1.790 178.129 176.519 -0.301 0.000 1.219 212 W CA 0.515 57.681 57.345 -0.298 0.000 1.189 212 W CB -0.414 28.762 29.460 -0.473 0.000 1.129 212 W HN 0.266 nan 8.180 nan 0.000 0.581 213 F N -0.085 119.890 119.950 0.041 0.000 2.234 213 F HA -0.057 4.471 4.527 0.001 0.000 0.299 213 F C 2.614 178.481 175.800 0.112 0.000 1.087 213 F CA 1.696 59.636 58.000 -0.100 0.000 1.340 213 F CB -1.208 37.557 39.000 -0.393 0.000 1.031 213 F HN -0.188 nan 8.300 nan 0.000 0.500 214 G N -0.992 107.982 108.800 0.290 0.000 2.403 214 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 214 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 214 G C 1.625 176.761 174.900 0.392 0.000 1.154 214 G CA 0.333 45.586 45.100 0.255 0.000 0.784 214 G HN 0.315 nan 8.290 nan 0.000 0.538 215 F N 2.057 122.081 119.950 0.124 0.000 2.026 215 F HA -0.137 4.390 4.527 0.000 0.000 0.296 215 F C 2.543 178.573 175.800 0.384 0.000 1.133 215 F CA 2.079 60.111 58.000 0.053 0.000 1.188 215 F CB -0.109 38.612 39.000 -0.465 0.000 0.968 215 F HN 0.051 nan 8.300 nan 0.000 0.476 216 N N 0.542 119.613 118.700 0.617 0.000 2.083 216 N HA -0.097 4.643 4.740 0.001 0.000 0.190 216 N C 1.923 177.732 175.510 0.499 0.000 1.047 216 N CA 1.736 55.124 53.050 0.564 0.000 0.845 216 N CB -1.163 37.612 38.487 0.480 0.000 1.025 216 N HN 0.385 nan 8.380 nan 0.000 0.428 217 A N 0.413 123.500 122.820 0.445 0.000 1.902 217 A HA -0.016 4.305 4.320 0.001 0.000 0.217 217 A C 2.280 180.145 177.584 0.469 0.000 1.181 217 A CA 1.954 54.304 52.037 0.523 0.000 0.623 217 A CB -1.285 18.131 19.000 0.693 0.000 0.818 217 A HN 0.381 nan 8.150 nan 0.000 0.443 218 G N -0.968 107.988 108.800 0.260 0.000 2.470 218 G HA2 -0.084 3.876 3.960 0.001 0.000 0.220 218 G HA3 -0.084 3.876 3.960 0.001 0.000 0.220 218 G C 1.526 176.294 174.900 -0.219 0.000 1.121 218 G CA 1.112 46.148 45.100 -0.107 0.000 0.766 218 G HN 0.480 nan 8.290 nan 0.000 0.553 219 S N 0.505 116.240 115.700 0.059 0.000 2.547 219 S HA 0.156 4.626 4.470 0.001 0.000 0.235 219 S C 2.474 176.797 174.600 -0.462 0.000 0.980 219 S CA 0.632 58.664 58.200 -0.280 0.000 0.941 219 S CB -0.003 62.985 63.200 -0.353 0.000 0.763 219 S HN 0.574 nan 8.310 nan 0.000 0.532 220 A N 0.735 123.538 122.820 -0.028 0.000 2.067 220 A HA 0.417 4.738 4.320 0.001 0.000 0.217 220 A C 1.907 179.459 177.584 -0.054 0.000 1.156 220 A CA 0.982 53.077 52.037 0.096 0.000 0.683 220 A CB -0.820 18.360 19.000 0.300 0.000 0.808 220 A HN 0.843 nan 8.150 nan 0.000 0.455 221 G N -2.070 106.650 108.800 -0.134 0.000 2.162 221 G HA2 -0.155 3.806 3.960 0.001 0.000 0.260 221 G HA3 -0.155 3.806 3.960 0.001 0.000 0.260 221 G C 0.398 175.273 174.900 -0.041 0.000 0.976 221 G CA 1.221 46.215 45.100 -0.176 0.000 0.655 221 G HN 1.664 nan 8.290 nan 0.000 0.533 222 T N -2.012 112.586 114.554 0.073 0.000 2.893 222 T HA 0.662 5.013 4.350 0.001 0.000 0.337 222 T C -0.220 174.440 174.700 -0.066 0.000 1.587 222 T CA 0.594 62.719 62.100 0.042 0.000 1.066 222 T CB 1.010 69.863 68.868 -0.024 0.000 1.414 222 T HN 1.715 nan 8.240 nan 0.000 0.488 223 A N 4.148 126.785 122.820 -0.305 0.000 3.091 223 A HA 0.481 4.801 4.320 0.001 0.000 0.264 223 A C 0.618 177.997 177.584 -0.341 0.000 1.673 223 A CA -0.413 51.200 52.037 -0.706 0.000 1.362 223 A CB -1.233 17.267 19.000 -0.833 0.000 1.137 223 A HN 0.785 nan 8.150 nan 0.000 0.617 224 N N -0.360 118.219 118.700 -0.201 0.000 3.061 224 N HA 0.143 4.883 4.740 0.001 0.000 0.346 224 N C 0.898 176.360 175.510 -0.079 0.000 1.392 224 N CA -0.109 52.874 53.050 -0.113 0.000 0.762 224 N CB 0.147 38.600 38.487 -0.057 0.000 1.367 224 N HN 0.211 nan 8.380 nan 0.000 0.607 225 E N -0.152 120.021 120.200 -0.044 0.000 2.268 225 E HA -0.102 4.248 4.350 0.001 0.000 0.195 225 E C 1.372 177.968 176.600 -0.007 0.000 0.995 225 E CA 0.810 57.194 56.400 -0.028 0.000 0.836 225 E CB -0.242 29.445 29.700 -0.022 0.000 0.763 225 E HN 0.548 nan 8.360 nan 0.000 0.491 226 I N 1.844 122.422 120.570 0.012 0.000 2.353 226 I HA -0.071 4.099 4.170 0.001 0.000 0.248 226 I C 2.610 178.763 176.117 0.060 0.000 1.119 226 I CA 1.028 62.339 61.300 0.017 0.000 1.417 226 I CB -1.479 36.566 38.000 0.075 0.000 1.078 226 I HN 0.130 nan 8.210 nan 0.000 0.421 227 A N 1.035 123.923 122.820 0.114 0.000 1.898 227 A HA -0.068 4.252 4.320 0.001 0.000 0.216 227 A C 2.586 180.293 177.584 0.205 0.000 1.181 227 A CA 1.794 53.958 52.037 0.212 0.000 0.620 227 A CB -0.720 18.356 19.000 0.127 0.000 0.819 227 A HN 0.378 nan 8.150 nan 0.000 0.442 228 A N -0.397 122.472 122.820 0.083 0.000 1.902 228 A HA -0.063 4.257 4.320 0.001 0.000 0.217 228 A C 2.143 179.806 177.584 0.132 0.000 1.181 228 A CA 1.780 53.863 52.037 0.077 0.000 0.623 228 A CB -0.649 18.342 19.000 -0.015 0.000 0.818 228 A HN 0.702 nan 8.150 nan 0.000 0.443 229 L N -0.259 121.005 121.223 0.067 0.000 2.017 229 L HA -0.062 4.279 4.340 0.001 0.000 0.208 229 L C 2.658 179.559 176.870 0.052 0.000 1.073 229 L CA 2.278 57.139 54.840 0.035 0.000 0.745 229 L CB -0.759 41.276 42.059 -0.039 0.000 0.894 229 L HN 0.334 nan 8.230 nan 0.000 0.432 230 A N -1.225 121.620 122.820 0.042 0.000 1.933 230 A HA -0.226 4.095 4.320 0.001 0.000 0.218 230 A C 2.232 179.942 177.584 0.209 0.000 1.175 230 A CA 1.686 53.756 52.037 0.054 0.000 0.628 230 A CB -1.096 17.950 19.000 0.077 0.000 0.814 230 A HN 0.507 nan 8.150 nan 0.000 0.444 231 F N 0.554 120.626 119.950 0.203 0.000 2.075 231 F HA -0.171 4.356 4.527 0.001 0.000 0.297 231 F C 2.402 178.367 175.800 0.275 0.000 1.113 231 F CA 2.054 60.244 58.000 0.318 0.000 1.218 231 F CB -0.419 38.719 39.000 0.230 0.000 0.984 231 F HN 0.034 nan 8.300 nan 0.000 0.472 232 V N 0.671 120.859 119.914 0.457 0.000 2.343 232 V HA -0.328 3.792 4.120 0.001 0.000 0.247 232 V C 2.169 178.380 176.094 0.195 0.000 1.051 232 V CA 2.105 64.587 62.300 0.303 0.000 1.036 232 V CB -0.804 31.125 31.823 0.175 0.000 0.654 232 V HN 0.361 nan 8.190 nan 0.000 0.451 233 N N -0.029 118.749 118.700 0.130 0.000 2.166 233 N HA -0.132 4.608 4.740 0.001 0.000 0.186 233 N C 1.898 177.433 175.510 0.042 0.000 1.019 233 N CA 1.850 54.936 53.050 0.060 0.000 0.856 233 N CB -0.533 37.966 38.487 0.020 0.000 0.993 233 N HN 0.457 nan 8.380 nan 0.000 0.426 234 T N 0.841 115.421 114.554 0.044 0.000 2.746 234 T HA -0.040 4.310 4.350 0.001 0.000 0.267 234 T C 2.168 176.877 174.700 0.016 0.000 1.039 234 T CA 0.776 62.824 62.100 -0.088 0.000 1.142 234 T CB -0.253 68.432 68.868 -0.304 0.000 0.866 234 T HN -0.030 nan 8.240 nan 0.000 0.444 235 V N 1.230 121.278 119.914 0.224 0.000 2.295 235 V HA -0.150 3.971 4.120 0.001 0.000 0.246 235 V C 2.653 178.849 176.094 0.170 0.000 1.049 235 V CA 1.398 63.889 62.300 0.320 0.000 1.024 235 V CB -0.679 31.350 31.823 0.342 0.000 0.648 235 V HN 0.315 nan 8.190 nan 0.000 0.447 236 V N 0.256 120.235 119.914 0.109 0.000 2.270 236 V HA -0.220 3.900 4.120 0.001 0.000 0.245 236 V C 2.699 178.794 176.094 0.003 0.000 1.043 236 V CA 2.027 64.356 62.300 0.048 0.000 1.014 236 V CB -1.181 30.662 31.823 0.034 0.000 0.645 236 V HN 0.547 nan 8.190 nan 0.000 0.447 237 A N -0.153 122.654 122.820 -0.022 0.000 1.933 237 A HA -0.209 4.111 4.320 0.001 0.000 0.218 237 A C 2.389 179.925 177.584 -0.080 0.000 1.175 237 A CA 2.435 54.436 52.037 -0.061 0.000 0.628 237 A CB -0.984 17.970 19.000 -0.077 0.000 0.814 237 A HN 0.514 nan 8.150 nan 0.000 0.444 238 T N 0.402 114.905 114.554 -0.086 0.000 2.746 238 T HA -0.046 4.305 4.350 0.001 0.000 0.267 238 T C 2.223 176.866 174.700 -0.094 0.000 1.039 238 T CA 1.651 63.678 62.100 -0.121 0.000 1.142 238 T CB -0.459 68.372 68.868 -0.062 0.000 0.866 238 T HN 0.597 nan 8.240 nan 0.000 0.444 239 A N 1.463 124.258 122.820 -0.042 0.000 1.902 239 A HA 0.191 4.511 4.320 0.001 0.000 0.217 239 A C 2.660 180.228 177.584 -0.026 0.000 1.181 239 A CA 1.780 53.797 52.037 -0.035 0.000 0.623 239 A CB -1.121 17.880 19.000 0.001 0.000 0.818 239 A HN 0.505 nan 8.150 nan 0.000 0.443 240 A N -0.231 122.574 122.820 -0.025 0.000 1.933 240 A HA 0.172 4.492 4.320 0.001 0.000 0.218 240 A C 2.448 180.032 177.584 -0.001 0.000 1.175 240 A CA 2.025 54.049 52.037 -0.022 0.000 0.628 240 A CB -0.866 18.111 19.000 -0.038 0.000 0.814 240 A HN 1.029 nan 8.150 nan 0.000 0.444 241 A N -0.358 122.456 122.820 -0.009 0.000 1.968 241 A HA 0.042 4.362 4.320 0.001 0.000 0.217 241 A C 2.075 179.710 177.584 0.085 0.000 1.169 241 A CA 1.245 53.303 52.037 0.035 0.000 0.638 241 A CB -0.495 18.497 19.000 -0.013 0.000 0.812 241 A HN 0.477 nan 8.150 nan 0.000 0.446 242 I N -0.242 120.337 120.570 0.014 0.000 2.179 242 I HA -0.250 3.921 4.170 0.001 0.000 0.242 242 I C 2.317 178.491 176.117 0.095 0.000 1.088 242 I CA 1.107 62.417 61.300 0.017 0.000 1.357 242 I CB -0.243 37.725 38.000 -0.054 0.000 1.051 242 I HN 0.294 nan 8.210 nan 0.000 0.409 243 L N 0.049 121.314 121.223 0.070 0.000 2.056 243 L HA -0.097 4.244 4.340 0.001 0.000 0.207 243 L C 2.681 179.649 176.870 0.163 0.000 1.078 243 L CA 1.463 56.356 54.840 0.089 0.000 0.749 243 L CB -1.223 40.852 42.059 0.028 0.000 0.901 243 L HN 0.309 nan 8.230 nan 0.000 0.433 244 G N -0.525 108.364 108.800 0.148 0.000 2.421 244 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 244 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 244 G C 1.367 176.432 174.900 0.275 0.000 1.171 244 G CA 0.296 45.508 45.100 0.185 0.000 0.775 244 G HN 0.396 nan 8.290 nan 0.000 0.543 245 W N 1.207 122.562 121.300 0.091 0.000 2.354 245 W HA -0.096 4.564 4.660 0.000 0.000 0.315 245 W C 2.232 178.811 176.519 0.100 0.000 1.206 245 W CA 0.986 58.380 57.345 0.081 0.000 1.290 245 W CB -0.502 28.977 29.460 0.032 0.000 1.152 245 W HN 0.107 nan 8.180 nan 0.000 0.489 246 I N 0.479 121.324 120.570 0.458 0.000 2.264 246 I HA -0.304 3.866 4.170 0.001 0.000 0.248 246 I C 2.452 178.749 176.117 0.300 0.000 1.111 246 I CA 1.539 63.038 61.300 0.333 0.000 1.382 246 I CB -1.837 36.289 38.000 0.210 0.000 1.060 246 I HN -0.067 nan 8.210 nan 0.000 0.418 247 F N 1.862 121.912 119.950 0.166 0.000 2.146 247 F HA -0.056 4.471 4.527 0.000 0.000 0.298 247 F C 2.381 178.323 175.800 0.236 0.000 1.096 247 F CA 1.600 59.702 58.000 0.169 0.000 1.275 247 F CB -0.713 38.336 39.000 0.082 0.000 1.008 247 F HN 0.031 nan 8.300 nan 0.000 0.480 248 G N -0.485 108.336 108.800 0.035 0.000 2.422 248 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 248 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 248 G C 1.576 176.389 174.900 -0.145 0.000 1.140 248 G CA 0.740 45.760 45.100 -0.133 0.000 0.775 248 G HN 0.476 nan 8.290 nan 0.000 0.545 249 E N -0.631 119.561 120.200 -0.015 0.000 2.046 249 E HA -0.129 4.222 4.350 0.001 0.000 0.190 249 E C 2.044 178.658 176.600 0.023 0.000 0.982 249 E CA 0.766 57.191 56.400 0.042 0.000 0.800 249 E CB -0.266 29.564 29.700 0.216 0.000 0.756 249 E HN 0.590 nan 8.360 nan 0.000 0.449 250 W N 1.132 122.359 121.300 -0.122 0.000 2.363 250 W HA -0.167 4.494 4.660 0.001 0.000 0.296 250 W C 1.975 178.364 176.519 -0.217 0.000 1.212 250 W CA 2.076 59.341 57.345 -0.134 0.000 1.260 250 W CB -0.254 29.144 29.460 -0.103 0.000 1.131 250 W HN 0.110 nan 8.180 nan 0.000 0.530 251 A N 0.279 122.921 122.820 -0.297 0.000 1.897 251 A HA -0.083 4.237 4.320 0.001 0.000 0.215 251 A C 2.046 179.373 177.584 -0.428 0.000 1.181 251 A CA 1.742 53.446 52.037 -0.555 0.000 0.620 251 A CB -0.796 17.909 19.000 -0.492 0.000 0.821 251 A HN 0.415 nan 8.150 nan 0.000 0.443 252 L N -2.149 118.907 121.223 -0.279 0.000 2.253 252 L HA 0.099 4.440 4.340 0.001 0.000 0.205 252 L C 2.356 179.117 176.870 -0.181 0.000 1.078 252 L CA 0.715 55.436 54.840 -0.198 0.000 0.805 252 L CB -0.156 41.821 42.059 -0.138 0.000 0.963 252 L HN 0.212 nan 8.230 nan 0.000 0.459 253 R N -0.451 119.949 120.500 -0.167 0.000 2.397 253 R HA 0.238 4.578 4.340 0.001 0.000 0.241 253 R C 1.248 177.451 176.300 -0.162 0.000 0.914 253 R CA 0.560 56.584 56.100 -0.126 0.000 1.071 253 R CB 0.809 31.075 30.300 -0.056 0.000 1.116 253 R HN 0.359 nan 8.270 nan 0.000 0.524 254 G N 2.087 110.712 108.800 -0.293 0.000 2.267 254 G HA2 -0.357 3.603 3.960 0.001 0.000 0.257 254 G HA3 -0.357 3.603 3.960 0.001 0.000 0.257 254 G C 0.023 174.793 174.900 -0.217 0.000 0.998 254 G CA 0.841 45.724 45.100 -0.362 0.000 0.620 254 G HN 0.403 nan 8.290 nan 0.000 0.529 255 K N -0.343 120.027 120.400 -0.050 0.000 2.587 255 K HA 0.607 4.927 4.320 0.001 0.000 0.276 255 K C -3.441 173.237 176.600 0.130 0.000 0.956 255 K CA -1.654 54.701 56.287 0.114 0.000 0.857 255 K CB 2.814 35.358 32.500 0.073 0.000 1.431 255 K HN 0.055 nan 8.250 nan 0.000 0.420 256 P HA 0.094 nan 4.420 nan 0.000 0.274 256 P C -0.737 176.613 177.300 0.083 0.000 1.246 256 P CA -0.281 62.903 63.100 0.140 0.000 0.795 256 P CB 1.195 32.974 31.700 0.132 0.000 1.006 257 S N -0.115 115.626 115.700 0.069 0.000 2.627 257 S HA 0.278 4.749 4.470 0.001 0.000 0.283 257 S C 0.668 175.260 174.600 -0.014 0.000 1.127 257 S CA -0.700 57.514 58.200 0.023 0.000 0.863 257 S CB 1.034 64.250 63.200 0.028 0.000 1.121 257 S HN 0.238 nan 8.310 nan 0.000 0.479 258 L N 1.182 122.379 121.223 -0.043 0.000 2.017 258 L HA 0.114 4.454 4.340 0.001 0.000 0.208 258 L C 2.101 178.923 176.870 -0.080 0.000 1.073 258 L CA 1.786 56.587 54.840 -0.066 0.000 0.745 258 L CB -1.161 40.846 42.059 -0.086 0.000 0.894 258 L HN 0.841 nan 8.230 nan 0.000 0.432 259 L N -0.095 121.075 121.223 -0.089 0.000 2.083 259 L HA -0.041 4.300 4.340 0.001 0.000 0.209 259 L C 2.335 179.070 176.870 -0.225 0.000 1.083 259 L CA 2.018 56.777 54.840 -0.135 0.000 0.752 259 L CB -1.510 40.486 42.059 -0.104 0.000 0.899 259 L HN 0.346 nan 8.230 nan 0.000 0.433 260 G N -1.125 107.581 108.800 -0.157 0.000 2.446 260 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 260 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 260 G C 1.627 176.169 174.900 -0.597 0.000 1.168 260 G CA 0.958 45.885 45.100 -0.288 0.000 0.771 260 G HN 0.623 nan 8.290 nan 0.000 0.551 261 A N -0.030 122.641 122.820 -0.249 0.000 1.883 261 A HA -0.116 4.204 4.320 0.001 0.000 0.217 261 A C 2.616 180.046 177.584 -0.256 0.000 1.186 261 A CA 1.949 53.874 52.037 -0.187 0.000 0.624 261 A CB -1.051 17.907 19.000 -0.069 0.000 0.822 261 A HN 0.446 nan 8.150 nan 0.000 0.444 262 C N -0.705 118.462 119.300 -0.221 0.000 2.446 262 C HA -0.038 4.422 4.460 0.001 0.000 0.277 262 C C 3.259 178.052 174.990 -0.329 0.000 1.275 262 C CA 1.170 60.080 59.018 -0.180 0.000 1.727 262 C CB -1.265 26.445 27.740 -0.050 0.000 2.010 262 C HN 0.629 nan 8.230 nan 0.000 0.486 263 S N 0.967 116.318 115.700 -0.582 0.000 2.370 263 S HA -0.088 4.382 4.470 0.001 0.000 0.226 263 S C 2.117 176.146 174.600 -0.951 0.000 1.033 263 S CA 1.584 59.249 58.200 -0.891 0.000 1.011 263 S CB -0.816 61.483 63.200 -1.501 0.000 0.852 263 S HN 0.760 nan 8.310 nan 0.000 0.457 264 G N 1.567 109.785 108.800 -0.970 0.000 2.446 264 G HA2 -0.124 3.836 3.960 0.001 0.000 0.217 264 G HA3 -0.124 3.836 3.960 0.001 0.000 0.217 264 G C 1.586 176.357 174.900 -0.215 0.000 1.168 264 G CA 1.028 45.965 45.100 -0.272 0.000 0.771 264 G HN 0.596 nan 8.290 nan 0.000 0.551 265 A N 0.892 123.537 122.820 -0.291 0.000 1.877 265 A HA -0.002 4.318 4.320 0.001 0.000 0.216 265 A C 2.351 179.701 177.584 -0.389 0.000 1.186 265 A CA 1.558 53.411 52.037 -0.306 0.000 0.620 265 A CB -0.320 18.488 19.000 -0.320 0.000 0.822 265 A HN 0.274 nan 8.150 nan 0.000 0.443 266 I N 0.132 120.452 120.570 -0.417 0.000 2.226 266 I HA -0.238 3.932 4.170 0.001 0.000 0.245 266 I C 2.939 178.720 176.117 -0.560 0.000 1.100 266 I CA 1.292 62.264 61.300 -0.546 0.000 1.374 266 I CB -1.708 35.979 38.000 -0.522 0.000 1.057 266 I HN 0.366 nan 8.210 nan 0.000 0.413 267 A N 0.923 123.538 122.820 -0.343 0.000 1.883 267 A HA -0.142 4.178 4.320 0.001 0.000 0.217 267 A C 2.522 179.982 177.584 -0.207 0.000 1.186 267 A CA 2.077 54.009 52.037 -0.176 0.000 0.624 267 A CB -1.360 17.723 19.000 0.139 0.000 0.822 267 A HN 0.432 nan 8.150 nan 0.000 0.444 268 G N -0.581 108.087 108.800 -0.220 0.000 2.403 268 G HA2 -0.066 3.895 3.960 0.001 0.000 0.216 268 G HA3 -0.066 3.895 3.960 0.001 0.000 0.216 268 G C 1.568 176.259 174.900 -0.349 0.000 1.154 268 G CA 0.909 45.882 45.100 -0.212 0.000 0.784 268 G HN 0.417 nan 8.290 nan 0.000 0.538 269 L N 0.169 121.024 121.223 -0.612 0.000 2.017 269 L HA -0.095 4.246 4.340 0.001 0.000 0.208 269 L C 3.015 179.393 176.870 -0.819 0.000 1.073 269 L CA 0.620 54.807 54.840 -1.088 0.000 0.745 269 L CB -0.508 40.365 42.059 -1.977 0.000 0.894 269 L HN 0.084 nan 8.230 nan 0.000 0.432 270 V N 0.073 119.586 119.914 -0.668 0.000 2.261 270 V HA -0.244 3.877 4.120 0.001 0.000 0.246 270 V C 2.607 178.692 176.094 -0.014 0.000 1.047 270 V CA 2.131 64.220 62.300 -0.350 0.000 1.015 270 V CB -1.336 30.144 31.823 -0.572 0.000 0.642 270 V HN 0.591 nan 8.190 nan 0.000 0.446 271 G N -1.051 107.707 108.800 -0.070 0.000 2.442 271 G HA2 -0.226 3.734 3.960 0.001 0.000 0.219 271 G HA3 -0.226 3.734 3.960 0.001 0.000 0.219 271 G C 1.676 176.631 174.900 0.091 0.000 1.141 271 G CA 1.202 46.325 45.100 0.037 0.000 0.763 271 G HN 0.403 nan 8.290 nan 0.000 0.554 272 V N 0.508 120.445 119.914 0.038 0.000 3.406 272 V HA -0.013 4.107 4.120 0.001 0.000 0.263 272 V C 2.849 179.079 176.094 0.226 0.000 1.172 272 V CA 1.960 64.310 62.300 0.084 0.000 1.140 272 V CB -0.435 31.381 31.823 -0.013 0.000 0.784 272 V HN 0.383 nan 8.190 nan 0.000 0.467 273 T N 2.112 116.881 114.554 0.357 0.000 2.597 273 T HA -0.126 4.224 4.350 0.001 0.000 0.267 273 T C -0.208 174.831 174.700 0.566 0.000 1.053 273 T CA 2.317 64.790 62.100 0.621 0.000 1.165 273 T CB -1.253 68.189 68.868 0.956 0.000 0.863 273 T HN 0.547 nan 8.240 nan 0.000 0.427 274 P HA 0.178 nan 4.420 nan 0.000 0.229 274 P C 0.844 178.452 177.300 0.513 0.000 1.160 274 P CA 0.926 64.330 63.100 0.507 0.000 0.777 274 P CB -0.018 31.930 31.700 0.413 0.000 0.814 275 A N -0.152 122.900 122.820 0.386 0.000 2.169 275 A HA 0.012 4.332 4.320 0.001 0.000 0.210 275 A C 2.368 180.039 177.584 0.144 0.000 1.168 275 A CA 0.680 52.917 52.037 0.333 0.000 0.813 275 A CB -1.648 17.505 19.000 0.254 0.000 0.861 275 A HN 0.380 nan 8.150 nan 0.000 0.481 276 C N -1.084 118.263 119.300 0.078 0.000 2.385 276 C HA -0.089 4.371 4.460 0.001 0.000 0.275 276 C C 2.462 177.195 174.990 -0.428 0.000 1.199 276 C CA 0.966 59.930 59.018 -0.089 0.000 1.782 276 C CB -1.735 26.026 27.740 0.035 0.000 2.068 276 C HN 0.526 nan 8.230 nan 0.000 0.471 277 G N -2.106 106.006 108.800 -1.147 0.000 2.985 277 G HA2 0.261 4.222 3.960 0.001 0.000 0.209 277 G HA3 0.261 4.222 3.960 0.001 0.000 0.209 277 G C 0.859 175.191 174.900 -0.948 0.000 1.165 277 G CA 0.454 44.550 45.100 -1.674 0.000 0.776 277 G HN 0.698 nan 8.290 nan 0.000 0.541 278 Y N -0.129 120.039 120.300 -0.219 0.000 2.426 278 Y HA 0.368 4.918 4.550 0.001 0.000 0.249 278 Y C 1.188 177.066 175.900 -0.037 0.000 1.103 278 Y CA -1.572 56.492 58.100 -0.060 0.000 1.256 278 Y CB 0.201 38.684 38.460 0.038 0.000 1.208 278 Y HN 0.217 nan 8.280 nan 0.000 0.519 279 I N -1.712 118.921 120.570 0.104 0.000 2.947 279 I HA 0.889 5.059 4.170 0.001 0.000 0.314 279 I C 0.640 176.782 176.117 0.042 0.000 1.028 279 I CA -1.151 60.207 61.300 0.097 0.000 1.077 279 I CB 1.387 39.460 38.000 0.122 0.000 1.274 279 I HN 0.001 nan 8.210 nan 0.000 0.485 280 G N 1.117 109.950 108.800 0.055 0.000 2.528 280 G HA2 0.403 4.363 3.960 0.001 0.000 0.289 280 G HA3 0.403 4.363 3.960 0.001 0.000 0.289 280 G C 0.872 175.779 174.900 0.011 0.000 1.192 280 G CA -0.182 44.937 45.100 0.032 0.000 0.921 280 G HN 0.932 nan 8.290 nan 0.000 0.512 281 V N -0.978 118.940 119.914 0.007 0.000 2.594 281 V HA 0.008 4.128 4.120 0.001 0.000 0.253 281 V C 2.444 178.521 176.094 -0.028 0.000 1.069 281 V CA 2.178 64.476 62.300 -0.002 0.000 1.082 281 V CB -1.133 30.697 31.823 0.011 0.000 0.680 281 V HN 0.734 nan 8.190 nan 0.000 0.469 282 G N 0.836 109.624 108.800 -0.020 0.000 2.402 282 G HA2 -0.048 3.913 3.960 0.001 0.000 0.216 282 G HA3 -0.048 3.913 3.960 0.001 0.000 0.216 282 G C 1.543 176.364 174.900 -0.132 0.000 1.162 282 G CA 0.781 45.857 45.100 -0.039 0.000 0.777 282 G HN 0.729 nan 8.290 nan 0.000 0.539 283 G N 0.932 109.645 108.800 -0.145 0.000 2.422 283 G HA2 0.106 4.066 3.960 0.001 0.000 0.218 283 G HA3 0.106 4.066 3.960 0.001 0.000 0.218 283 G C 2.002 176.672 174.900 -0.384 0.000 1.140 283 G CA 1.425 46.250 45.100 -0.458 0.000 0.775 283 G HN 0.614 nan 8.290 nan 0.000 0.545 284 A N 0.569 123.287 122.820 -0.170 0.000 1.902 284 A HA 0.072 4.392 4.320 0.001 0.000 0.217 284 A C 2.362 179.868 177.584 -0.130 0.000 1.181 284 A CA 1.444 53.412 52.037 -0.115 0.000 0.623 284 A CB -0.474 18.497 19.000 -0.048 0.000 0.818 284 A HN 0.388 nan 8.150 nan 0.000 0.443 285 L N -0.440 120.709 121.223 -0.123 0.000 2.017 285 L HA -0.158 4.182 4.340 0.001 0.000 0.208 285 L C 2.388 179.174 176.870 -0.141 0.000 1.073 285 L CA 1.618 56.396 54.840 -0.104 0.000 0.745 285 L CB -0.220 41.791 42.059 -0.081 0.000 0.894 285 L HN 0.446 nan 8.230 nan 0.000 0.432 286 I N -0.574 119.858 120.570 -0.230 0.000 2.202 286 I HA -0.327 3.844 4.170 0.001 0.000 0.242 286 I C 2.350 178.329 176.117 -0.230 0.000 1.091 286 I CA 1.433 62.579 61.300 -0.256 0.000 1.368 286 I CB -0.217 37.531 38.000 -0.420 0.000 1.058 286 I HN 0.227 nan 8.210 nan 0.000 0.410 287 I N 0.669 121.063 120.570 -0.293 0.000 2.208 287 I HA -0.239 3.931 4.170 0.001 0.000 0.245 287 I C 2.661 178.730 176.117 -0.080 0.000 1.097 287 I CA 1.668 62.875 61.300 -0.155 0.000 1.363 287 I CB -0.870 37.058 38.000 -0.120 0.000 1.051 287 I HN 0.282 nan 8.210 nan 0.000 0.413 288 G N 0.427 109.175 108.800 -0.087 0.000 2.446 288 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 288 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 288 G C 1.708 176.591 174.900 -0.028 0.000 1.168 288 G CA 0.972 46.038 45.100 -0.058 0.000 0.771 288 G HN 0.230 nan 8.290 nan 0.000 0.551 289 V N 0.516 120.408 119.914 -0.036 0.000 2.233 289 V HA -0.204 3.917 4.120 0.001 0.000 0.247 289 V C 3.079 179.177 176.094 0.006 0.000 1.050 289 V CA 1.738 64.031 62.300 -0.011 0.000 1.010 289 V CB -0.648 31.154 31.823 -0.035 0.000 0.637 289 V HN 0.248 nan 8.190 nan 0.000 0.444 290 V N 0.346 120.254 119.914 -0.010 0.000 2.324 290 V HA -0.323 3.797 4.120 0.001 0.000 0.250 290 V C 2.681 178.786 176.094 0.017 0.000 1.060 290 V CA 2.262 64.563 62.300 0.002 0.000 1.042 290 V CB -1.271 30.555 31.823 0.005 0.000 0.650 290 V HN 0.587 nan 8.190 nan 0.000 0.450 291 A N 0.352 123.185 122.820 0.021 0.000 1.930 291 A HA -0.054 4.266 4.320 0.001 0.000 0.217 291 A C 2.420 180.054 177.584 0.084 0.000 1.175 291 A CA 1.856 53.918 52.037 0.041 0.000 0.627 291 A CB -1.155 17.855 19.000 0.015 0.000 0.815 291 A HN 0.538 nan 8.150 nan 0.000 0.443 292 G N -0.219 108.642 108.800 0.102 0.000 2.418 292 G HA2 -0.130 3.831 3.960 0.001 0.000 0.217 292 G HA3 -0.130 3.831 3.960 0.001 0.000 0.217 292 G C 1.554 176.504 174.900 0.083 0.000 1.158 292 G CA 1.039 46.272 45.100 0.222 0.000 0.771 292 G HN 0.428 nan 8.290 nan 0.000 0.545 293 L N 0.565 121.803 121.223 0.024 0.000 2.072 293 L HA 0.048 4.389 4.340 0.001 0.000 0.205 293 L C 3.377 180.219 176.870 -0.047 0.000 1.079 293 L CA 0.924 55.737 54.840 -0.044 0.000 0.752 293 L CB -0.338 41.731 42.059 0.018 0.000 0.906 293 L HN 0.284 nan 8.230 nan 0.000 0.436 294 A N 0.271 123.097 122.820 0.010 0.000 1.933 294 A HA -0.104 4.216 4.320 0.001 0.000 0.218 294 A C 2.388 180.063 177.584 0.151 0.000 1.175 294 A CA 1.656 53.738 52.037 0.075 0.000 0.628 294 A CB -1.200 17.828 19.000 0.047 0.000 0.814 294 A HN 0.435 nan 8.150 nan 0.000 0.444 295 G N -0.088 108.754 108.800 0.070 0.000 2.421 295 G HA2 -0.140 3.820 3.960 0.001 0.000 0.216 295 G HA3 -0.140 3.820 3.960 0.001 0.000 0.216 295 G C 1.484 176.233 174.900 -0.252 0.000 1.171 295 G CA 1.201 46.371 45.100 0.117 0.000 0.775 295 G HN 0.478 nan 8.290 nan 0.000 0.543 296 L N -0.231 120.437 121.223 -0.924 0.000 2.012 296 L HA 0.004 4.344 4.340 0.001 0.000 0.210 296 L C 2.469 179.119 176.870 -0.366 0.000 1.073 296 L CA 2.018 56.156 54.840 -1.171 0.000 0.748 296 L CB -0.946 40.331 42.059 -1.304 0.000 0.891 296 L HN 0.477 nan 8.230 nan 0.000 0.431 297 W N 0.474 121.585 121.300 -0.316 0.000 2.318 297 W HA -0.124 4.536 4.660 0.000 0.000 0.313 297 W C 2.196 178.661 176.519 -0.089 0.000 1.221 297 W CA 2.621 59.873 57.345 -0.156 0.000 1.266 297 W CB -0.897 28.502 29.460 -0.100 0.000 1.150 297 W HN 0.250 nan 8.180 nan 0.000 0.496 298 G N 1.014 109.881 108.800 0.113 0.000 2.679 298 G HA2 -0.417 3.544 3.960 0.001 0.000 0.217 298 G HA3 -0.417 3.544 3.960 0.001 0.000 0.217 298 G C 1.538 176.329 174.900 -0.181 0.000 1.267 298 G CA 2.818 47.892 45.100 -0.044 0.000 0.799 298 G HN 0.699 nan 8.290 nan 0.000 0.606 299 V N -1.089 118.809 119.914 -0.027 0.000 2.380 299 V HA -0.201 3.919 4.120 0.001 0.000 0.251 299 V C 2.604 178.645 176.094 -0.087 0.000 1.063 299 V CA 3.024 65.331 62.300 0.012 0.000 1.055 299 V CB -1.494 30.427 31.823 0.163 0.000 0.657 299 V HN 0.340 nan 8.190 nan 0.000 0.455 300 T N 0.725 115.174 114.554 -0.175 0.000 2.652 300 T HA -0.142 4.208 4.350 0.001 0.000 0.267 300 T C 1.988 176.527 174.700 -0.268 0.000 1.039 300 T CA 2.387 64.366 62.100 -0.202 0.000 1.153 300 T CB -0.371 68.358 68.868 -0.231 0.000 0.863 300 T HN 0.383 nan 8.240 nan 0.000 0.428 301 M N 0.549 119.862 119.600 -0.477 0.000 2.229 301 M HA 0.099 4.579 4.480 0.001 0.000 0.264 301 M C 1.953 178.091 176.300 -0.270 0.000 1.063 301 M CA 0.792 55.800 55.300 -0.487 0.000 1.114 301 M CB -1.389 30.659 32.600 -0.920 0.000 1.387 301 M HN 0.160 nan 8.290 nan 0.000 0.420 302 L N 1.709 122.808 121.223 -0.208 0.000 2.700 302 L HA -0.041 4.299 4.340 0.001 0.000 0.240 302 L C 1.046 177.888 176.870 -0.048 0.000 1.162 302 L CA 0.541 55.331 54.840 -0.082 0.000 0.874 302 L CB -1.408 40.641 42.059 -0.016 0.000 1.001 302 L HN 0.396 nan 8.230 nan 0.000 0.447 311 P HA -0.017 nan 4.420 nan 0.000 0.225 311 P C 1.423 178.744 177.300 0.035 0.000 1.148 311 P CA 0.488 63.635 63.100 0.077 0.000 0.779 311 P CB 0.118 31.888 31.700 0.116 0.000 0.780 312 C N -0.390 118.930 119.300 0.033 0.000 2.472 312 C HA -0.033 4.428 4.460 0.001 0.000 0.278 312 C C 2.184 177.230 174.990 0.093 0.000 1.447 312 C CA 0.614 59.676 59.018 0.073 0.000 1.773 312 C CB -2.063 25.830 27.740 0.256 0.000 1.793 312 C HN 0.272 nan 8.230 nan 0.000 0.544 313 D N 0.488 120.935 120.400 0.078 0.000 2.221 313 D HA -0.124 4.516 4.640 0.001 0.000 0.204 313 D C 1.973 178.349 176.300 0.127 0.000 0.982 313 D CA 0.840 54.904 54.000 0.108 0.000 0.857 313 D CB 0.028 40.882 40.800 0.089 0.000 0.934 313 D HN 0.236 nan 8.370 nan 0.000 0.475 314 V N 0.253 120.193 119.914 0.044 0.000 2.392 314 V HA -0.254 3.866 4.120 0.001 0.000 0.249 314 V C 1.586 177.803 176.094 0.205 0.000 1.059 314 V CA 1.308 63.662 62.300 0.090 0.000 1.051 314 V CB -0.515 31.312 31.823 0.008 0.000 0.658 314 V HN 0.237 nan 8.190 nan 0.000 0.455 315 F N 1.146 121.284 119.950 0.313 0.000 2.451 315 F HA 0.048 4.576 4.527 0.001 0.000 0.299 315 F C 2.240 178.211 175.800 0.286 0.000 1.101 315 F CA 0.881 59.057 58.000 0.293 0.000 1.436 315 F CB -1.352 37.761 39.000 0.189 0.000 1.074 315 F HN 0.187 nan 8.300 nan 0.000 0.553 316 G N -0.144 108.877 108.800 0.369 0.000 2.394 316 G HA2 -0.130 3.830 3.960 0.001 0.000 0.215 316 G HA3 -0.130 3.830 3.960 0.001 0.000 0.215 316 G C 1.837 176.904 174.900 0.278 0.000 1.165 316 G CA 0.994 46.260 45.100 0.275 0.000 0.784 316 G HN 0.241 nan 8.290 nan 0.000 0.535 317 V N 0.328 120.407 119.914 0.276 0.000 2.270 317 V HA -0.062 4.058 4.120 0.001 0.000 0.245 317 V C 2.476 178.635 176.094 0.109 0.000 1.043 317 V CA 1.492 63.902 62.300 0.184 0.000 1.014 317 V CB -0.693 31.183 31.823 0.089 0.000 0.645 317 V HN 0.307 nan 8.190 nan 0.000 0.447 318 F N 1.303 121.354 119.950 0.168 0.000 2.161 318 F HA -0.092 4.436 4.527 0.001 0.000 0.300 318 F C 2.328 178.277 175.800 0.248 0.000 1.089 318 F CA 1.723 59.832 58.000 0.182 0.000 1.282 318 F CB -1.028 38.126 39.000 0.256 0.000 1.010 318 F HN 0.213 nan 8.300 nan 0.000 0.485 319 G N -0.702 108.361 108.800 0.439 0.000 2.395 319 G HA2 -0.116 3.845 3.960 0.001 0.000 0.214 319 G HA3 -0.116 3.845 3.960 0.001 0.000 0.214 319 G C 1.782 176.849 174.900 0.279 0.000 1.177 319 G CA 0.845 46.155 45.100 0.351 0.000 0.794 319 G HN 0.206 nan 8.290 nan 0.000 0.532 320 V N 0.725 120.797 119.914 0.262 0.000 2.307 320 V HA -0.190 3.930 4.120 0.001 0.000 0.245 320 V C 3.028 179.236 176.094 0.189 0.000 1.045 320 V CA 1.822 64.267 62.300 0.241 0.000 1.024 320 V CB -0.540 31.460 31.823 0.295 0.000 0.651 320 V HN 0.495 nan 8.190 nan 0.000 0.449 321 C N 0.625 120.020 119.300 0.158 0.000 2.435 321 C HA 0.023 4.484 4.460 0.001 0.000 0.279 321 C C 2.850 177.925 174.990 0.141 0.000 1.321 321 C CA 0.459 59.540 59.018 0.105 0.000 1.752 321 C CB -1.670 26.077 27.740 0.013 0.000 1.959 321 C HN 0.678 nan 8.230 nan 0.000 0.500 322 G N 0.796 109.720 108.800 0.206 0.000 2.402 322 G HA2 -0.129 3.831 3.960 0.001 0.000 0.216 322 G HA3 -0.129 3.831 3.960 0.001 0.000 0.216 322 G C 1.467 176.512 174.900 0.241 0.000 1.162 322 G CA 0.675 45.949 45.100 0.291 0.000 0.777 322 G HN 0.512 nan 8.290 nan 0.000 0.539 323 I N 0.282 120.978 120.570 0.209 0.000 2.179 323 I HA -0.157 4.014 4.170 0.001 0.000 0.242 323 I C 2.808 179.013 176.117 0.148 0.000 1.088 323 I CA 0.518 61.920 61.300 0.171 0.000 1.357 323 I CB -0.327 37.766 38.000 0.156 0.000 1.051 323 I HN 0.017 nan 8.210 nan 0.000 0.409 324 V N 1.074 121.069 119.914 0.135 0.000 2.287 324 V HA -0.275 3.846 4.120 0.001 0.000 0.248 324 V C 2.572 178.747 176.094 0.136 0.000 1.053 324 V CA 2.365 64.732 62.300 0.112 0.000 1.027 324 V CB -1.471 30.404 31.823 0.087 0.000 0.646 324 V HN 0.606 nan 8.190 nan 0.000 0.447 325 G N -1.569 107.323 108.800 0.153 0.000 2.418 325 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 325 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 325 G C 1.735 176.762 174.900 0.212 0.000 1.158 325 G CA 1.284 46.491 45.100 0.179 0.000 0.771 325 G HN 0.538 nan 8.290 nan 0.000 0.545 326 C N 0.177 119.603 119.300 0.211 0.000 2.440 326 C HA 0.103 4.563 4.460 0.001 0.000 0.278 326 C C 2.840 177.933 174.990 0.172 0.000 1.295 326 C CA 0.366 59.506 59.018 0.203 0.000 1.738 326 C CB -0.878 26.972 27.740 0.183 0.000 1.987 326 C HN 0.471 nan 8.230 nan 0.000 0.492 327 I N 0.338 120.998 120.570 0.150 0.000 2.233 327 I HA -0.215 3.955 4.170 0.001 0.000 0.243 327 I C 2.458 178.670 176.117 0.159 0.000 1.093 327 I CA 1.580 62.956 61.300 0.126 0.000 1.380 327 I CB -0.362 37.697 38.000 0.099 0.000 1.067 327 I HN 0.291 nan 8.210 nan 0.000 0.413 328 M N -0.220 119.500 119.600 0.199 0.000 2.460 328 M HA -0.140 4.340 4.480 0.001 0.000 0.263 328 M C 2.088 178.595 176.300 0.346 0.000 1.071 328 M CA 1.381 56.858 55.300 0.296 0.000 1.096 328 M CB -0.575 32.211 32.600 0.311 0.000 1.408 328 M HN 0.222 nan 8.290 nan 0.000 0.463 329 T N 0.166 114.886 114.554 0.277 0.000 2.867 329 T HA -0.066 4.284 4.350 0.001 0.000 0.268 329 T C 1.783 176.635 174.700 0.254 0.000 1.057 329 T CA 1.512 63.782 62.100 0.282 0.000 1.136 329 T CB -0.449 68.590 68.868 0.285 0.000 0.874 329 T HN 0.644 nan 8.240 nan 0.000 0.466 330 G N 0.247 109.184 108.800 0.229 0.000 2.679 330 G HA2 0.064 4.025 3.960 0.001 0.000 0.212 330 G HA3 0.064 4.025 3.960 0.001 0.000 0.212 330 G C 1.291 176.374 174.900 0.305 0.000 1.137 330 G CA 0.181 45.436 45.100 0.258 0.000 0.787 330 G HN 0.473 nan 8.290 nan 0.000 0.534 331 I N -1.275 119.399 120.570 0.174 0.000 2.900 331 I HA 0.201 4.371 4.170 0.001 0.000 0.251 331 I C 1.664 177.652 176.117 -0.215 0.000 1.102 331 I CA 0.114 61.393 61.300 -0.036 0.000 1.457 331 I CB -0.017 37.817 38.000 -0.277 0.000 1.285 331 I HN -0.018 nan 8.210 nan 0.000 0.459 332 F N 1.462 121.463 119.950 0.085 0.000 2.699 332 F HA 0.043 4.570 4.527 0.000 0.000 0.298 332 F C 2.333 178.097 175.800 -0.059 0.000 1.154 332 F CA 0.682 58.694 58.000 0.020 0.000 1.457 332 F CB -0.576 38.449 39.000 0.041 0.000 1.106 332 F HN 0.006 nan 8.300 nan 0.000 0.585 333 A N 0.228 123.017 122.820 -0.051 0.000 2.167 333 A HA 0.387 4.707 4.320 0.001 0.000 0.214 333 A C 1.556 178.771 177.584 -0.614 0.000 1.151 333 A CA 0.443 52.346 52.037 -0.224 0.000 0.735 333 A CB -0.889 17.976 19.000 -0.225 0.000 0.802 333 A HN 0.140 nan 8.150 nan 0.000 0.467 334 A N -0.073 122.291 122.820 -0.759 0.000 2.511 334 A HA 0.381 4.701 4.320 0.001 0.000 0.242 334 A C 1.451 178.858 177.584 -0.295 0.000 1.069 334 A CA 0.438 52.052 52.037 -0.705 0.000 0.763 334 A CB 0.083 18.913 19.000 -0.283 0.000 1.001 334 A HN 0.343 nan 8.150 nan 0.000 0.498 335 S N 1.747 117.320 115.700 -0.213 0.000 2.359 335 S HA -0.172 4.298 4.470 0.001 0.000 0.224 335 S C 2.272 176.845 174.600 -0.045 0.000 1.035 335 S CA 1.886 60.032 58.200 -0.089 0.000 1.018 335 S CB -0.328 62.845 63.200 -0.045 0.000 0.876 335 S HN 0.910 nan 8.310 nan 0.000 0.448 336 S N 1.818 117.497 115.700 -0.036 0.000 2.407 336 S HA -0.070 4.400 4.470 0.001 0.000 0.235 336 S C 1.340 175.940 174.600 0.000 0.000 1.036 336 S CA 1.060 59.254 58.200 -0.009 0.000 1.013 336 S CB -0.396 62.804 63.200 -0.000 0.000 0.820 336 S HN 0.434 nan 8.310 nan 0.000 0.476 337 L N 0.606 121.824 121.223 -0.009 0.000 2.741 337 L HA 0.391 4.731 4.340 0.001 0.000 0.237 337 L C 1.495 178.428 176.870 0.106 0.000 1.178 337 L CA 0.180 55.056 54.840 0.060 0.000 0.973 337 L CB -0.155 41.924 42.059 0.034 0.000 1.255 337 L HN 0.484 nan 8.230 nan 0.000 0.498 338 G N -0.192 108.636 108.800 0.046 0.000 2.157 338 G HA2 -0.223 3.738 3.960 0.001 0.000 0.239 338 G HA3 -0.223 3.738 3.960 0.001 0.000 0.239 338 G C 0.568 175.486 174.900 0.030 0.000 0.982 338 G CA -0.180 44.945 45.100 0.042 0.000 0.650 338 G HN 0.516 nan 8.290 nan 0.000 0.527 339 G N -0.801 108.003 108.800 0.007 0.000 2.621 339 G HA2 0.565 4.526 3.960 0.001 0.000 0.271 339 G HA3 0.565 4.526 3.960 0.001 0.000 0.271 339 G C 1.443 176.329 174.900 -0.024 0.000 1.236 339 G CA 0.798 45.894 45.100 -0.007 0.000 0.958 339 G HN 1.306 nan 8.290 nan 0.000 0.512 340 V N -2.360 117.558 119.914 0.007 0.000 3.217 340 V HA 0.481 4.601 4.120 0.001 0.000 0.264 340 V C 1.170 177.255 176.094 -0.015 0.000 1.135 340 V CA 0.657 62.971 62.300 0.024 0.000 1.142 340 V CB -1.396 30.483 31.823 0.092 0.000 0.754 340 V HN 2.172 nan 8.190 nan 0.000 0.484 341 G N -0.468 108.262 108.800 -0.117 0.000 2.697 341 G HA2 -0.058 3.903 3.960 0.001 0.000 0.686 341 G HA3 -0.058 3.903 3.960 0.001 0.000 0.686 341 G C -0.810 173.990 174.900 -0.167 0.000 1.179 341 G CA -0.525 44.468 45.100 -0.179 0.000 0.765 341 G HN 0.322 nan 8.290 nan 0.000 0.649 342 F N 1.233 121.192 119.950 0.015 0.000 2.399 342 F HA 0.624 5.152 4.527 0.001 0.000 0.313 342 F C 1.487 177.289 175.800 0.003 0.000 1.202 342 F CA 0.556 58.554 58.000 -0.003 0.000 1.192 342 F CB 0.462 39.459 39.000 -0.004 0.000 1.256 342 F HN 0.942 nan 8.300 nan 0.000 0.558 343 A N 0.497 123.447 122.820 0.218 0.000 2.429 343 A HA 0.112 4.433 4.320 0.001 0.000 0.242 343 A C 0.185 177.821 177.584 0.087 0.000 1.088 343 A CA -0.538 51.568 52.037 0.114 0.000 0.784 343 A CB -0.224 18.822 19.000 0.078 0.000 1.038 343 A HN 0.754 nan 8.150 nan 0.000 0.501 344 E N -0.381 119.848 120.200 0.048 0.000 2.465 344 E HA 0.284 4.634 4.350 0.001 0.000 0.260 344 E C 1.187 177.782 176.600 -0.009 0.000 0.980 344 E CA 1.130 57.545 56.400 0.024 0.000 0.927 344 E CB 0.148 29.855 29.700 0.012 0.000 0.934 344 E HN 1.277 nan 8.360 nan 0.000 0.459 345 G N 2.059 110.849 108.800 -0.016 0.000 2.168 345 G HA2 -0.284 3.676 3.960 0.001 0.000 0.263 345 G HA3 -0.284 3.676 3.960 0.001 0.000 0.263 345 G C 0.169 174.997 174.900 -0.121 0.000 0.977 345 G CA 0.273 45.337 45.100 -0.060 0.000 0.659 345 G HN 0.398 nan 8.290 nan 0.000 0.533 346 V N 1.728 121.587 119.914 -0.092 0.000 2.435 346 V HA 0.718 4.839 4.120 0.001 0.000 0.290 346 V C 0.884 176.874 176.094 -0.174 0.000 1.030 346 V CA 0.086 62.283 62.300 -0.170 0.000 0.881 346 V CB 1.580 33.342 31.823 -0.101 0.000 0.983 346 V HN 0.667 nan 8.190 nan 0.000 0.445 347 T N 1.644 116.055 114.554 -0.237 0.000 2.936 347 T HA 0.407 4.758 4.350 0.001 0.000 0.282 347 T C 1.090 175.406 174.700 -0.641 0.000 1.003 347 T CA -0.581 61.350 62.100 -0.281 0.000 1.005 347 T CB 1.376 70.165 68.868 -0.131 0.000 1.097 347 T HN 0.541 nan 8.240 nan 0.000 0.532 348 M N 0.818 120.045 119.600 -0.623 0.000 2.159 348 M HA 0.049 4.529 4.480 0.001 0.000 0.263 348 M C 2.160 178.269 176.300 -0.318 0.000 1.063 348 M CA 2.238 57.153 55.300 -0.643 0.000 1.110 348 M CB -1.091 31.457 32.600 -0.087 0.000 1.374 348 M HN 0.937 nan 8.290 nan 0.000 0.411 349 G N -0.673 108.019 108.800 -0.179 0.000 2.545 349 G HA2 -0.359 3.601 3.960 0.001 0.000 0.217 349 G HA3 -0.359 3.601 3.960 0.001 0.000 0.217 349 G C 1.159 175.999 174.900 -0.100 0.000 1.218 349 G CA 1.673 46.714 45.100 -0.098 0.000 0.787 349 G HN 0.684 nan 8.290 nan 0.000 0.571 350 H N -0.101 118.863 119.070 -0.177 0.000 2.353 350 H HA -0.140 4.416 4.556 0.001 0.000 0.298 350 H C 2.613 177.840 175.328 -0.168 0.000 1.103 350 H CA 2.306 58.264 56.048 -0.150 0.000 1.293 350 H CB -0.037 29.643 29.762 -0.137 0.000 1.372 350 H HN 0.397 nan 8.280 nan 0.000 0.501 351 Q N 0.436 120.144 119.800 -0.155 0.000 2.050 351 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 351 Q C 2.390 178.315 176.000 -0.125 0.000 0.980 351 Q CA 1.736 57.441 55.803 -0.164 0.000 0.840 351 Q CB -0.406 28.116 28.738 -0.361 0.000 0.898 351 Q HN 0.623 nan 8.270 nan 0.000 0.424 352 L N -0.286 120.863 121.223 -0.124 0.000 2.079 352 L HA -0.192 4.148 4.340 0.001 0.000 0.210 352 L C 2.190 179.012 176.870 -0.080 0.000 1.081 352 L CA 0.727 55.531 54.840 -0.061 0.000 0.752 352 L CB -0.539 41.491 42.059 -0.048 0.000 0.896 352 L HN 0.321 nan 8.230 nan 0.000 0.433 353 L N -0.681 120.459 121.223 -0.139 0.000 2.046 353 L HA -0.163 4.177 4.340 0.001 0.000 0.208 353 L C 2.356 179.130 176.870 -0.160 0.000 1.077 353 L CA 1.675 56.422 54.840 -0.154 0.000 0.747 353 L CB -0.450 41.483 42.059 -0.211 0.000 0.896 353 L HN -0.059 nan 8.230 nan 0.000 0.432 354 V N -0.369 119.421 119.914 -0.207 0.000 2.427 354 V HA -0.255 3.865 4.120 0.001 0.000 0.248 354 V C 2.674 178.733 176.094 -0.058 0.000 1.051 354 V CA 1.496 63.708 62.300 -0.146 0.000 1.048 354 V CB -0.603 31.144 31.823 -0.127 0.000 0.666 354 V HN 0.512 nan 8.190 nan 0.000 0.456 355 Q N -0.237 119.546 119.800 -0.028 0.000 2.020 355 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 355 Q C 2.314 178.324 176.000 0.018 0.000 0.982 355 Q CA 1.574 57.389 55.803 0.021 0.000 0.838 355 Q CB -0.605 28.165 28.738 0.053 0.000 0.899 355 Q HN 0.524 nan 8.270 nan 0.000 0.423 356 L N 0.739 121.962 121.223 0.000 0.000 2.079 356 L HA -0.217 4.123 4.340 0.001 0.000 0.210 356 L C 2.264 179.135 176.870 0.002 0.000 1.081 356 L CA 1.293 56.137 54.840 0.007 0.000 0.752 356 L CB -0.365 41.690 42.059 -0.007 0.000 0.896 356 L HN 0.296 nan 8.230 nan 0.000 0.433 357 E N -0.631 119.554 120.200 -0.026 0.000 2.107 357 E HA -0.134 4.217 4.350 0.001 0.000 0.191 357 E C 2.303 178.896 176.600 -0.011 0.000 0.982 357 E CA 1.210 57.592 56.400 -0.030 0.000 0.809 357 E CB 0.043 29.697 29.700 -0.076 0.000 0.756 357 E HN 0.364 nan 8.360 nan 0.000 0.459 358 S N 0.791 116.484 115.700 -0.011 0.000 2.383 358 S HA -0.088 4.382 4.470 0.001 0.000 0.227 358 S C 2.013 176.626 174.600 0.022 0.000 1.026 358 S CA 0.689 58.885 58.200 -0.008 0.000 0.981 358 S CB -0.080 63.115 63.200 -0.008 0.000 0.818 358 S HN 0.183 nan 8.310 nan 0.000 0.472 359 I N 1.706 122.303 120.570 0.045 0.000 2.163 359 I HA -0.182 3.989 4.170 0.001 0.000 0.240 359 I C 2.762 178.928 176.117 0.082 0.000 1.081 359 I CA 1.082 62.427 61.300 0.076 0.000 1.353 359 I CB -0.565 37.486 38.000 0.085 0.000 1.054 359 I HN 0.257 nan 8.210 nan 0.000 0.407 360 A N 1.120 123.979 122.820 0.065 0.000 1.865 360 A HA -0.226 4.094 4.320 0.001 0.000 0.217 360 A C 2.319 179.961 177.584 0.096 0.000 1.191 360 A CA 1.767 53.847 52.037 0.072 0.000 0.623 360 A CB -1.021 18.009 19.000 0.049 0.000 0.826 360 A HN 0.382 nan 8.150 nan 0.000 0.444 361 I N -0.382 120.244 120.570 0.092 0.000 2.208 361 I HA -0.271 3.900 4.170 0.001 0.000 0.245 361 I C 2.618 178.846 176.117 0.185 0.000 1.097 361 I CA 1.904 63.290 61.300 0.144 0.000 1.363 361 I CB -0.489 37.579 38.000 0.113 0.000 1.051 361 I HN 0.308 nan 8.210 nan 0.000 0.413 362 T N 0.850 115.473 114.554 0.116 0.000 2.746 362 T HA -0.127 4.223 4.350 0.001 0.000 0.267 362 T C 1.891 176.709 174.700 0.198 0.000 1.039 362 T CA 1.344 63.516 62.100 0.120 0.000 1.142 362 T CB -0.260 68.651 68.868 0.070 0.000 0.866 362 T HN 0.229 nan 8.240 nan 0.000 0.444 363 I N 0.725 121.400 120.570 0.175 0.000 2.142 363 I HA -0.167 4.003 4.170 0.001 0.000 0.240 363 I C 2.486 178.717 176.117 0.189 0.000 1.078 363 I CA 1.058 62.465 61.300 0.179 0.000 1.343 363 I CB -0.383 37.701 38.000 0.141 0.000 1.046 363 I HN 0.081 nan 8.210 nan 0.000 0.405 364 V N 0.062 120.078 119.914 0.171 0.000 2.295 364 V HA -0.293 3.827 4.120 0.001 0.000 0.246 364 V C 2.111 178.318 176.094 0.188 0.000 1.049 364 V CA 1.725 64.112 62.300 0.146 0.000 1.024 364 V CB -0.804 31.081 31.823 0.103 0.000 0.648 364 V HN 0.610 nan 8.190 nan 0.000 0.447 365 W N 0.797 122.132 121.300 0.058 0.000 2.333 365 W HA -0.244 4.418 4.660 0.003 0.000 0.316 365 W C 2.896 179.464 176.519 0.081 0.000 1.215 365 W CA 2.481 59.854 57.345 0.045 0.000 1.278 365 W CB -0.600 28.874 29.460 0.024 0.000 1.154 365 W HN 0.371 nan 8.180 nan 0.000 0.486 366 S N 0.069 116.050 115.700 0.468 0.000 2.383 366 S HA -0.064 4.406 4.470 0.001 0.000 0.227 366 S C 2.047 176.921 174.600 0.457 0.000 1.026 366 S CA 1.875 60.374 58.200 0.499 0.000 0.981 366 S CB -0.829 62.684 63.200 0.521 0.000 0.818 366 S HN 0.277 nan 8.310 nan 0.000 0.472 367 G N 1.013 110.004 108.800 0.317 0.000 2.433 367 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 367 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 367 G C 1.485 176.541 174.900 0.260 0.000 1.186 367 G CA 1.181 46.437 45.100 0.260 0.000 0.779 367 G HN 0.461 nan 8.290 nan 0.000 0.543 368 V N 0.516 120.528 119.914 0.164 0.000 2.261 368 V HA -0.176 3.945 4.120 0.001 0.000 0.246 368 V C 3.045 179.244 176.094 0.175 0.000 1.047 368 V CA 1.568 63.938 62.300 0.116 0.000 1.015 368 V CB -0.622 31.178 31.823 -0.039 0.000 0.642 368 V HN 0.233 nan 8.190 nan 0.000 0.446 369 V N 0.346 120.340 119.914 0.135 0.000 2.332 369 V HA -0.274 3.846 4.120 0.001 0.000 0.248 369 V C 2.713 178.980 176.094 0.289 0.000 1.055 369 V CA 2.086 64.473 62.300 0.146 0.000 1.038 369 V CB -1.163 30.716 31.823 0.094 0.000 0.651 369 V HN 0.565 nan 8.190 nan 0.000 0.450 370 A N -0.643 122.452 122.820 0.460 0.000 1.902 370 A HA -0.235 4.085 4.320 0.001 0.000 0.217 370 A C 2.115 179.923 177.584 0.373 0.000 1.181 370 A CA 1.956 54.260 52.037 0.445 0.000 0.623 370 A CB -0.735 18.541 19.000 0.460 0.000 0.818 370 A HN 0.508 nan 8.150 nan 0.000 0.443 371 F N 0.590 120.713 119.950 0.289 0.000 2.171 371 F HA -0.143 4.383 4.527 -0.002 0.000 0.300 371 F C 1.929 177.857 175.800 0.214 0.000 1.090 371 F CA 1.674 59.846 58.000 0.287 0.000 1.293 371 F CB -0.139 38.979 39.000 0.197 0.000 1.013 371 F HN 0.181 nan 8.300 nan 0.000 0.486 372 I N -0.453 120.255 120.570 0.231 0.000 2.353 372 I HA -0.172 3.998 4.170 0.001 0.000 0.248 372 I C 2.697 178.836 176.117 0.037 0.000 1.119 372 I CA 1.139 62.497 61.300 0.096 0.000 1.417 372 I CB -1.225 36.827 38.000 0.087 0.000 1.078 372 I HN 0.249 nan 8.210 nan 0.000 0.421 373 G N 0.398 109.229 108.800 0.051 0.000 2.433 373 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 373 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 373 G C 1.435 176.404 174.900 0.115 0.000 1.186 373 G CA 0.635 45.754 45.100 0.032 0.000 0.779 373 G HN 0.222 nan 8.290 nan 0.000 0.543 374 Y N 1.344 121.781 120.300 0.228 0.000 2.128 374 Y HA -0.056 4.494 4.550 -0.000 0.000 0.284 374 Y C 2.886 178.735 175.900 -0.085 0.000 1.154 374 Y CA 1.257 59.375 58.100 0.030 0.000 1.149 374 Y CB -0.150 38.247 38.460 -0.104 0.000 0.976 374 Y HN 0.026 nan 8.280 nan 0.000 0.505 375 K N -0.178 120.196 120.400 -0.043 0.000 2.057 375 K HA -0.159 4.161 4.320 0.001 0.000 0.207 375 K C 2.151 178.730 176.600 -0.034 0.000 1.049 375 K CA 1.027 57.234 56.287 -0.132 0.000 0.931 375 K CB -0.934 31.391 32.500 -0.292 0.000 0.714 375 K HN 0.285 nan 8.250 nan 0.000 0.440 376 L N 1.231 122.453 121.223 -0.002 0.000 2.017 376 L HA -0.101 4.239 4.340 0.001 0.000 0.208 376 L C 2.252 179.142 176.870 0.032 0.000 1.073 376 L CA 2.060 56.909 54.840 0.014 0.000 0.745 376 L CB -0.909 41.160 42.059 0.016 0.000 0.894 376 L HN 0.141 nan 8.230 nan 0.000 0.432 377 A N -0.819 122.039 122.820 0.064 0.000 1.908 377 A HA -0.297 4.023 4.320 0.001 0.000 0.218 377 A C 2.144 179.762 177.584 0.057 0.000 1.181 377 A CA 2.037 54.123 52.037 0.083 0.000 0.627 377 A CB -1.085 18.000 19.000 0.141 0.000 0.818 377 A HN 0.583 nan 8.150 nan 0.000 0.445 378 D N -0.329 120.096 120.400 0.042 0.000 2.144 378 D HA -0.079 4.561 4.640 0.001 0.000 0.199 378 D C 1.760 178.064 176.300 0.007 0.000 0.984 378 D CA 0.971 54.979 54.000 0.014 0.000 0.834 378 D CB -0.177 40.614 40.800 -0.015 0.000 0.955 378 D HN 0.445 nan 8.370 nan 0.000 0.465 379 L N -0.741 120.485 121.223 0.006 0.000 2.341 379 L HA -0.015 4.326 4.340 0.001 0.000 0.214 379 L C 2.378 179.254 176.870 0.010 0.000 1.115 379 L CA 1.006 55.849 54.840 0.005 0.000 0.820 379 L CB -0.162 41.898 42.059 0.002 0.000 0.944 379 L HN 0.096 nan 8.230 nan 0.000 0.452 380 T N -1.259 113.306 114.554 0.018 0.000 2.953 380 T HA -0.027 4.323 4.350 0.001 0.000 0.247 380 T C 1.343 176.056 174.700 0.022 0.000 1.029 380 T CA 1.354 63.466 62.100 0.019 0.000 1.144 380 T CB 0.279 69.161 68.868 0.023 0.000 0.870 380 T HN 0.178 nan 8.240 nan 0.000 0.446 381 V N -2.317 117.615 119.914 0.030 0.000 3.451 381 V HA 0.677 4.798 4.120 0.001 0.000 0.288 381 V C 0.813 176.924 176.094 0.028 0.000 1.502 381 V CA 0.237 62.556 62.300 0.031 0.000 1.026 381 V CB -0.399 31.451 31.823 0.044 0.000 0.840 381 V HN 0.702 nan 8.190 nan 0.000 0.437 382 G N 0.726 109.540 108.800 0.023 0.000 3.153 382 G HA2 -0.148 3.812 3.960 0.001 0.000 0.686 382 G HA3 -0.148 3.812 3.960 0.001 0.000 0.686 382 G C -0.166 174.745 174.900 0.018 0.000 0.995 382 G CA 0.031 45.139 45.100 0.013 0.000 0.783 382 G HN 0.323 nan 8.290 nan 0.000 0.551 383 L N 2.072 123.298 121.223 0.004 0.000 1.993 383 L HA 0.060 4.401 4.340 0.001 0.000 0.206 383 L C 2.298 179.154 176.870 -0.023 0.000 1.074 383 L CA 1.462 56.300 54.840 -0.004 0.000 0.746 383 L CB -0.324 41.714 42.059 -0.036 0.000 0.896 383 L HN 0.818 nan 8.230 nan 0.000 0.435 384 R N 1.276 121.752 120.500 -0.040 0.000 2.488 384 R HA 0.051 4.392 4.340 0.001 0.000 0.317 384 R C -0.156 176.130 176.300 -0.024 0.000 0.941 384 R CA -0.348 55.725 56.100 -0.045 0.000 1.076 384 R CB -0.302 29.970 30.300 -0.048 0.000 0.917 384 R HN 0.006 nan 8.270 nan 0.000 0.407 385 V N 5.780 125.678 119.914 -0.026 0.000 2.584 385 V HA 0.019 4.140 4.120 0.001 0.000 0.303 385 V C -1.081 175.009 176.094 -0.007 0.000 1.035 385 V CA -1.120 61.174 62.300 -0.010 0.000 1.172 385 V CB -0.013 31.799 31.823 -0.019 0.000 0.896 385 V HN 0.882 nan 8.190 nan 0.000 0.486 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.102 63.100 0.003 0.000 0.800 386 P CB 0.000 31.707 31.700 0.012 0.000 0.726