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 1fxo_1_A DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.608 176.600 0.013 0.000 0.988 2 K CA 0.000 56.288 56.287 0.002 0.000 0.838 2 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 3 R N 3.268 123.785 120.500 0.029 0.000 2.621 3 R HA 0.437 4.777 4.340 -0.000 0.000 0.292 3 R C -1.061 175.260 176.300 0.036 0.000 0.969 3 R CA -0.836 55.296 56.100 0.053 0.000 0.887 3 R CB 1.503 31.873 30.300 0.115 0.000 1.180 3 R HN 0.666 nan 8.270 nan 0.000 0.450 4 K N 1.221 121.633 120.400 0.021 0.000 2.118 4 K HA 0.442 4.761 4.320 -0.000 0.000 0.267 4 K C -0.167 176.528 176.600 0.158 0.000 0.991 4 K CA -0.643 55.664 56.287 0.034 0.000 0.916 4 K CB 1.904 34.286 32.500 -0.196 0.000 1.041 4 K HN 0.721 nan 8.250 nan 0.000 0.455 5 G N 1.629 110.564 108.800 0.225 0.000 2.453 5 G HA2 0.677 4.637 3.960 -0.000 0.000 0.323 5 G HA3 0.677 4.637 3.960 -0.000 0.000 0.323 5 G C -0.820 174.155 174.900 0.124 0.000 1.198 5 G CA -0.689 44.496 45.100 0.142 0.000 0.959 5 G HN 0.467 nan 8.290 nan 0.000 0.482 6 I N 0.916 121.494 120.570 0.013 0.000 2.498 6 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 6 I C -0.664 175.394 176.117 -0.098 0.000 1.032 6 I CA -0.701 60.529 61.300 -0.116 0.000 1.073 6 I CB 2.480 40.373 38.000 -0.177 0.000 1.251 6 I HN 0.189 nan 8.210 nan 0.000 0.426 7 I N 6.351 126.839 120.570 -0.137 0.000 2.355 7 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 7 I C -0.731 175.309 176.117 -0.128 0.000 0.999 7 I CA -0.753 60.493 61.300 -0.089 0.000 1.163 7 I CB 1.725 39.675 38.000 -0.083 0.000 1.316 7 I HN 0.294 nan 8.210 nan 0.000 0.454 8 L N 7.354 128.536 121.223 -0.068 0.000 2.268 8 L HA 0.514 4.854 4.340 -0.000 0.000 0.289 8 L C 0.470 177.309 176.870 -0.051 0.000 1.064 8 L CA 0.179 54.976 54.840 -0.072 0.000 0.824 8 L CB 0.815 42.856 42.059 -0.030 0.000 1.202 8 L HN 0.705 nan 8.230 nan 0.000 0.433 9 A N 4.058 126.809 122.820 -0.114 0.000 2.956 9 A HA 0.726 5.046 4.320 -0.000 0.000 0.294 9 A C 0.496 178.068 177.584 -0.019 0.000 0.993 9 A CA 0.164 52.136 52.037 -0.109 0.000 1.032 9 A CB -0.306 18.460 19.000 -0.390 0.000 1.129 9 A HN 0.771 nan 8.150 nan 0.000 0.505 10 G N -0.494 108.317 108.800 0.018 0.000 3.310 10 G HA2 0.736 4.696 3.960 -0.000 0.000 0.176 10 G HA3 0.736 4.696 3.960 -0.000 0.000 0.176 10 G C 0.534 175.470 174.900 0.061 0.000 1.307 10 G CA -0.293 44.840 45.100 0.055 0.000 0.935 10 G HN 1.803 nan 8.290 nan 0.000 0.628 11 G N -1.577 107.249 108.800 0.043 0.000 2.629 11 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 11 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 11 G C 0.001 174.911 174.900 0.017 0.000 1.232 11 G CA 0.332 45.449 45.100 0.028 0.000 0.803 11 G HN 1.651 nan 8.290 nan 0.000 0.638 12 S N -0.283 115.412 115.700 -0.008 0.000 2.549 12 S HA 0.510 4.980 4.470 -0.000 0.000 0.283 12 S C 1.654 176.204 174.600 -0.083 0.000 1.320 12 S CA 1.106 59.281 58.200 -0.041 0.000 1.058 12 S CB 0.860 64.028 63.200 -0.055 0.000 0.882 12 S HN 2.129 nan 8.310 nan 0.000 0.498 13 G N 2.900 111.615 108.800 -0.141 0.000 3.020 13 G HA2 0.041 4.000 3.960 -0.000 0.000 0.217 13 G HA3 0.041 4.000 3.960 -0.000 0.000 0.217 13 G C 1.148 175.671 174.900 -0.628 0.000 1.144 13 G CA 0.283 45.249 45.100 -0.223 0.000 0.760 13 G HN 0.741 nan 8.290 nan 0.000 0.548 14 T N 0.773 114.927 114.554 -0.666 0.000 2.751 14 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 14 T C 2.325 176.797 174.700 -0.381 0.000 1.045 14 T CA 1.756 63.442 62.100 -0.689 0.000 1.142 14 T CB -0.103 68.618 68.868 -0.245 0.000 0.851 14 T HN 0.496 nan 8.240 nan 0.000 0.474 15 R N 0.696 121.045 120.500 -0.252 0.000 2.082 15 R HA -0.014 4.326 4.340 -0.000 0.000 0.234 15 R C 2.068 178.297 176.300 -0.117 0.000 1.136 15 R CA 1.530 57.539 56.100 -0.152 0.000 0.935 15 R CB -0.438 29.773 30.300 -0.148 0.000 0.842 15 R HN 0.367 nan 8.270 nan 0.000 0.430 16 L N 0.732 121.884 121.223 -0.119 0.000 2.599 16 L HA 0.074 4.414 4.340 -0.000 0.000 0.230 16 L C 0.368 177.395 176.870 0.261 0.000 1.141 16 L CA -0.212 54.613 54.840 -0.025 0.000 0.877 16 L CB -0.478 41.560 42.059 -0.034 0.000 1.009 16 L HN 0.331 nan 8.230 nan 0.000 0.447 17 H N 1.741 120.855 119.070 0.074 0.000 2.928 17 H HA 0.004 4.560 4.556 -0.000 0.000 0.338 17 H C -1.171 174.216 175.328 0.100 0.000 1.047 17 H CA -1.262 54.830 56.048 0.072 0.000 1.435 17 H CB 0.846 30.633 29.762 0.041 0.000 1.428 17 H HN 0.021 nan 8.280 nan 0.000 0.590 18 P HA 0.052 nan 4.420 nan 0.000 0.261 18 P C 1.082 178.408 177.300 0.044 0.000 1.268 18 P CA 0.414 63.534 63.100 0.033 0.000 0.833 18 P CB 0.280 31.973 31.700 -0.011 0.000 1.231 19 A N 1.412 124.299 122.820 0.112 0.000 1.917 19 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 19 A C 1.980 179.624 177.584 0.101 0.000 1.182 19 A CA 2.527 54.621 52.037 0.096 0.000 0.633 19 A CB -1.768 17.327 19.000 0.158 0.000 0.819 19 A HN 0.388 nan 8.150 nan 0.000 0.448 20 T N -2.564 112.094 114.554 0.174 0.000 3.206 20 T HA 0.442 4.791 4.350 -0.000 0.000 0.253 20 T C 1.272 176.049 174.700 0.128 0.000 1.042 20 T CA 0.006 62.207 62.100 0.168 0.000 0.931 20 T CB -0.054 68.936 68.868 0.205 0.000 1.029 20 T HN 0.268 nan 8.240 nan 0.000 0.564 21 L N 0.227 121.420 121.223 -0.049 0.000 2.093 21 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 21 L C 2.969 179.791 176.870 -0.080 0.000 1.085 21 L CA 1.423 56.127 54.840 -0.227 0.000 0.755 21 L CB -0.442 41.457 42.059 -0.266 0.000 0.904 21 L HN 0.484 nan 8.230 nan 0.000 0.435 22 A N -0.650 122.146 122.820 -0.040 0.000 1.935 22 A HA 0.175 4.495 4.320 -0.000 0.000 0.214 22 A C 1.066 178.640 177.584 -0.016 0.000 1.178 22 A CA 0.646 52.665 52.037 -0.030 0.000 0.640 22 A CB 0.077 19.059 19.000 -0.029 0.000 0.825 22 A HN 0.276 nan 8.150 nan 0.000 0.447 23 I N -0.936 119.637 120.570 0.004 0.000 2.730 23 I HA 0.241 4.411 4.170 -0.000 0.000 0.298 23 I C 0.138 176.276 176.117 0.035 0.000 1.089 23 I CA -0.772 60.527 61.300 -0.001 0.000 1.041 23 I CB 2.269 40.263 38.000 -0.011 0.000 1.235 23 I HN 0.110 nan 8.210 nan 0.000 0.423 24 S N 4.389 120.105 115.700 0.026 0.000 2.549 24 S HA 0.017 4.486 4.470 -0.000 0.000 0.286 24 S C 1.273 175.927 174.600 0.090 0.000 1.314 24 S CA -0.060 58.190 58.200 0.084 0.000 1.062 24 S CB 0.697 63.978 63.200 0.135 0.000 0.865 24 S HN 0.802 nan 8.310 nan 0.000 0.498 25 K N 2.896 123.360 120.400 0.107 0.000 2.144 25 K HA -0.247 4.073 4.320 -0.000 0.000 0.209 25 K C 1.451 178.126 176.600 0.125 0.000 1.047 25 K CA 2.194 58.538 56.287 0.096 0.000 0.927 25 K CB -0.234 32.311 32.500 0.075 0.000 0.716 25 K HN 0.771 nan 8.250 nan 0.000 0.454 26 Q N 0.115 120.039 119.800 0.208 0.000 2.444 26 Q HA 0.104 4.444 4.340 -0.000 0.000 0.206 26 Q C 1.227 177.390 176.000 0.271 0.000 0.948 26 Q CA 0.404 56.375 55.803 0.280 0.000 0.946 26 Q CB 0.334 29.310 28.738 0.397 0.000 1.027 26 Q HN 0.348 nan 8.270 nan 0.000 0.513 27 L N -0.708 120.586 121.223 0.119 0.000 2.590 27 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 27 L C 0.064 176.937 176.870 0.004 0.000 1.099 27 L CA -0.163 54.675 54.840 -0.003 0.000 0.872 27 L CB 0.278 42.234 42.059 -0.172 0.000 1.088 27 L HN 0.167 nan 8.230 nan 0.000 0.479 28 L N 2.022 123.266 121.223 0.035 0.000 2.456 28 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 28 L C -2.044 174.844 176.870 0.030 0.000 1.189 28 L CA -1.747 53.107 54.840 0.025 0.000 0.846 28 L CB -0.095 41.988 42.059 0.040 0.000 1.111 28 L HN -0.192 nan 8.230 nan 0.000 0.475 29 P HA 0.083 nan 4.420 nan 0.000 0.275 29 P C -0.700 176.636 177.300 0.060 0.000 1.227 29 P CA -0.257 62.856 63.100 0.023 0.000 0.781 29 P CB 0.981 32.667 31.700 -0.023 0.000 0.906 30 V N 5.715 125.700 119.914 0.119 0.000 2.304 30 V HA 0.104 4.224 4.120 -0.000 0.000 0.269 30 V C 0.779 177.009 176.094 0.227 0.000 1.036 30 V CA 0.192 62.540 62.300 0.080 0.000 0.840 30 V CB -1.019 30.694 31.823 -0.184 0.000 1.036 30 V HN 0.698 nan 8.190 nan 0.000 0.466 31 Y N 4.611 124.931 120.300 0.034 0.000 2.749 31 Y HA -0.434 4.115 4.550 -0.000 0.000 0.477 31 Y C 1.361 177.286 175.900 0.043 0.000 1.115 31 Y CA 2.562 60.686 58.100 0.039 0.000 2.869 31 Y CB -0.977 37.512 38.460 0.049 0.000 1.077 31 Y HN 0.730 nan 8.280 nan 0.000 0.595 32 D N 0.971 121.283 120.400 -0.148 0.000 2.520 32 D HA 0.216 4.856 4.640 -0.000 0.000 0.223 32 D C 0.022 176.237 176.300 -0.143 0.000 1.186 32 D CA 0.575 54.384 54.000 -0.318 0.000 0.821 32 D CB 0.228 40.747 40.800 -0.468 0.000 1.072 32 D HN 0.715 nan 8.370 nan 0.000 0.518 33 K N -0.701 119.669 120.400 -0.049 0.000 2.556 33 K HA 0.572 4.892 4.320 -0.000 0.000 0.274 33 K C -3.465 173.034 176.600 -0.170 0.000 0.966 33 K CA -1.910 54.237 56.287 -0.233 0.000 0.865 33 K CB 1.772 34.134 32.500 -0.229 0.000 1.444 33 K HN -0.356 nan 8.250 nan 0.000 0.433 34 P HA 0.003 nan 4.420 nan 0.000 0.268 34 P C 0.537 177.901 177.300 0.106 0.000 1.205 34 P CA -0.401 62.591 63.100 -0.180 0.000 0.771 34 P CB 0.446 31.973 31.700 -0.289 0.000 0.858 35 M N 4.713 124.444 119.600 0.219 0.000 2.089 35 M HA -0.189 4.291 4.480 -0.000 0.000 0.257 35 M C 1.599 178.167 176.300 0.448 0.000 1.071 35 M CA 1.869 57.369 55.300 0.332 0.000 1.096 35 M CB -1.322 31.387 32.600 0.183 0.000 1.330 35 M HN 0.380 nan 8.290 nan 0.000 0.403 36 I N -0.572 120.238 120.570 0.399 0.000 2.530 36 I HA -0.318 3.852 4.170 -0.000 0.000 0.257 36 I C 1.353 177.761 176.117 0.485 0.000 1.179 36 I CA 1.064 62.622 61.300 0.430 0.000 1.440 36 I CB -0.239 38.051 38.000 0.484 0.000 1.087 36 I HN 0.300 nan 8.210 nan 0.000 0.440 37 Y N 0.108 120.545 120.300 0.227 0.000 2.274 37 Y HA -0.256 4.293 4.550 -0.000 0.000 0.290 37 Y C 2.142 178.058 175.900 0.027 0.000 1.145 37 Y CA 1.157 59.298 58.100 0.068 0.000 1.203 37 Y CB -1.230 37.162 38.460 -0.114 0.000 0.984 37 Y HN 0.263 nan 8.280 nan 0.000 0.533 38 Y N 0.051 120.545 120.300 0.323 0.000 2.092 38 Y HA -0.125 4.425 4.550 -0.000 0.000 0.282 38 Y C 0.050 176.103 175.900 0.256 0.000 1.126 38 Y CA 1.414 59.673 58.100 0.264 0.000 1.111 38 Y CB -2.070 36.520 38.460 0.216 0.000 0.987 38 Y HN 0.038 nan 8.280 nan 0.000 0.489 39 P HA -0.154 nan 4.420 nan 0.000 0.218 39 P C 1.820 179.252 177.300 0.221 0.000 1.149 39 P CA 1.184 64.467 63.100 0.304 0.000 0.817 39 P CB 0.001 31.857 31.700 0.260 0.000 0.785 40 L N 0.677 122.025 121.223 0.208 0.000 2.013 40 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 40 L C 2.406 179.359 176.870 0.138 0.000 1.073 40 L CA 2.127 57.063 54.840 0.160 0.000 0.753 40 L CB -1.539 40.622 42.059 0.170 0.000 0.890 40 L HN -0.129 nan 8.230 nan 0.000 0.432 41 S N -1.337 114.442 115.700 0.131 0.000 2.399 41 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 41 S C 1.791 176.472 174.600 0.135 0.000 1.022 41 S CA 1.549 59.811 58.200 0.103 0.000 0.983 41 S CB -0.490 62.763 63.200 0.088 0.000 0.803 41 S HN 0.612 nan 8.310 nan 0.000 0.480 42 T N 2.830 117.500 114.554 0.193 0.000 2.708 42 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 42 T C 1.728 176.444 174.700 0.027 0.000 1.037 42 T CA 0.956 63.151 62.100 0.158 0.000 1.146 42 T CB -0.395 68.624 68.868 0.252 0.000 0.865 42 T HN 0.270 nan 8.240 nan 0.000 0.435 43 L N 0.233 121.494 121.223 0.063 0.000 2.046 43 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 43 L C 2.673 179.610 176.870 0.112 0.000 1.077 43 L CA 1.315 56.188 54.840 0.055 0.000 0.747 43 L CB -0.568 41.529 42.059 0.062 0.000 0.896 43 L HN 0.334 nan 8.230 nan 0.000 0.432 44 M N -0.556 119.137 119.600 0.156 0.000 2.117 44 M HA -0.226 4.253 4.480 -0.000 0.000 0.262 44 M C 2.247 178.608 176.300 0.102 0.000 1.065 44 M CA 1.762 57.220 55.300 0.265 0.000 1.114 44 M CB -0.404 32.335 32.600 0.231 0.000 1.361 44 M HN 0.207 nan 8.290 nan 0.000 0.408 45 L N -0.236 120.973 121.223 -0.023 0.000 2.275 45 L HA -0.102 4.237 4.340 -0.000 0.000 0.215 45 L C 2.387 179.100 176.870 -0.260 0.000 1.119 45 L CA 0.586 55.329 54.840 -0.162 0.000 0.790 45 L CB -0.609 41.349 42.059 -0.169 0.000 0.919 45 L HN 0.277 nan 8.230 nan 0.000 0.443 46 A N -0.517 122.219 122.820 -0.140 0.000 2.278 46 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 46 A C 1.687 179.288 177.584 0.028 0.000 1.213 46 A CA 0.618 52.595 52.037 -0.100 0.000 0.840 46 A CB -0.438 18.594 19.000 0.052 0.000 0.866 46 A HN 0.484 nan 8.150 nan 0.000 0.489 47 G N -0.822 108.048 108.800 0.117 0.000 2.136 47 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.242 47 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.242 47 G C 0.031 175.113 174.900 0.302 0.000 0.989 47 G CA 0.298 45.576 45.100 0.298 0.000 0.682 47 G HN 0.476 nan 8.290 nan 0.000 0.522 48 I N -0.024 120.694 120.570 0.246 0.000 2.315 48 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 48 I C 1.468 177.604 176.117 0.032 0.000 1.006 48 I CA -0.697 60.670 61.300 0.111 0.000 1.265 48 I CB 1.326 39.387 38.000 0.102 0.000 1.387 48 I HN 0.070 nan 8.210 nan 0.000 0.475 49 R N 3.120 123.522 120.500 -0.164 0.000 2.287 49 R HA 0.143 4.483 4.340 -0.000 0.000 0.197 49 R C 0.284 176.506 176.300 -0.130 0.000 0.900 49 R CA 0.045 55.946 56.100 -0.332 0.000 1.052 49 R CB 0.526 30.429 30.300 -0.661 0.000 1.117 49 R HN 0.540 nan 8.270 nan 0.000 0.568 50 E N 1.687 121.858 120.200 -0.047 0.000 2.081 50 E HA 0.352 4.702 4.350 -0.000 0.000 0.276 50 E C -1.130 175.603 176.600 0.222 0.000 0.950 50 E CA -0.209 56.228 56.400 0.062 0.000 0.776 50 E CB 0.722 30.436 29.700 0.022 0.000 1.094 50 E HN 0.054 nan 8.360 nan 0.000 0.402 51 I N 4.788 125.455 120.570 0.161 0.000 2.619 51 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 51 I C -1.187 174.735 176.117 -0.325 0.000 1.100 51 I CA -1.106 60.212 61.300 0.029 0.000 1.043 51 I CB 1.899 39.883 38.000 -0.026 0.000 1.239 51 I HN 0.467 nan 8.210 nan 0.000 0.420 52 L N 7.516 128.334 121.223 -0.676 0.000 2.296 52 L HA 0.604 4.944 4.340 -0.000 0.000 0.286 52 L C -0.952 175.575 176.870 -0.571 0.000 1.023 52 L CA 0.031 54.309 54.840 -0.938 0.000 0.812 52 L CB 1.075 42.252 42.059 -1.471 0.000 1.223 52 L HN 0.404 nan 8.230 nan 0.000 0.421 53 I N 6.506 126.738 120.570 -0.564 0.000 2.339 53 I HA 0.362 4.531 4.170 -0.000 0.000 0.290 53 I C -0.484 175.466 176.117 -0.278 0.000 0.994 53 I CA -0.275 60.781 61.300 -0.406 0.000 1.191 53 I CB 1.198 38.953 38.000 -0.408 0.000 1.343 53 I HN 0.510 nan 8.210 nan 0.000 0.458 54 I N 5.715 126.139 120.570 -0.243 0.000 2.354 54 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 54 I C 0.190 176.226 176.117 -0.136 0.000 0.989 54 I CA 0.114 61.321 61.300 -0.156 0.000 1.188 54 I CB 1.704 39.612 38.000 -0.153 0.000 1.342 54 I HN 0.537 nan 8.210 nan 0.000 0.457 55 S N 3.189 118.861 115.700 -0.046 0.000 2.840 55 S HA 0.569 5.039 4.470 -0.000 0.000 0.307 55 S C -0.253 174.387 174.600 0.067 0.000 1.180 55 S CA -0.459 57.751 58.200 0.017 0.000 0.846 55 S CB 1.580 64.846 63.200 0.110 0.000 1.233 55 S HN 0.707 nan 8.310 nan 0.000 0.548 56 T N 0.596 115.215 114.554 0.108 0.000 2.788 56 T HA 0.390 4.740 4.350 -0.000 0.000 0.287 56 T C -2.091 172.657 174.700 0.079 0.000 1.007 56 T CA -0.949 61.200 62.100 0.082 0.000 1.005 56 T CB 0.090 69.010 68.868 0.087 0.000 1.012 56 T HN 0.327 nan 8.240 nan 0.000 0.530 57 P HA -0.124 nan 4.420 nan 0.000 0.215 57 P C 1.757 179.086 177.300 0.047 0.000 1.153 57 P CA 1.090 64.217 63.100 0.045 0.000 0.853 57 P CB 0.039 31.759 31.700 0.032 0.000 0.788 58 Q N -0.578 119.251 119.800 0.048 0.000 2.083 58 Q HA -0.155 4.185 4.340 -0.000 0.000 0.198 58 Q C 1.197 177.223 176.000 0.042 0.000 0.969 58 Q CA 1.410 57.235 55.803 0.035 0.000 0.838 58 Q CB -0.277 28.480 28.738 0.031 0.000 0.900 58 Q HN 0.165 nan 8.270 nan 0.000 0.436 59 D N -0.604 119.848 120.400 0.086 0.000 2.305 59 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 59 D C 1.612 178.040 176.300 0.213 0.000 0.974 59 D CA 0.740 54.808 54.000 0.112 0.000 0.871 59 D CB 0.046 40.979 40.800 0.221 0.000 0.947 59 D HN 0.197 nan 8.370 nan 0.000 0.516 60 T N 1.533 116.214 114.554 0.212 0.000 2.720 60 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 60 T C -0.940 173.822 174.700 0.102 0.000 1.037 60 T CA 1.115 63.359 62.100 0.240 0.000 1.144 60 T CB -0.915 68.040 68.868 0.144 0.000 0.864 60 T HN 0.188 nan 8.240 nan 0.000 0.444 61 P HA 0.021 nan 4.420 nan 0.000 0.220 61 P C 1.349 178.589 177.300 -0.099 0.000 1.148 61 P CA 0.956 64.008 63.100 -0.080 0.000 0.803 61 P CB -0.039 31.628 31.700 -0.055 0.000 0.782 62 R N -1.696 118.757 120.500 -0.078 0.000 2.090 62 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 62 R C 2.139 178.330 176.300 -0.182 0.000 1.110 62 R CA 1.105 57.111 56.100 -0.157 0.000 0.973 62 R CB -0.822 29.342 30.300 -0.227 0.000 0.869 62 R HN 0.220 nan 8.270 nan 0.000 0.440 63 F N 1.145 121.077 119.950 -0.030 0.000 2.146 63 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 63 F C 2.790 178.534 175.800 -0.093 0.000 1.096 63 F CA 1.335 59.361 58.000 0.044 0.000 1.275 63 F CB -0.195 38.917 39.000 0.187 0.000 1.008 63 F HN 0.041 nan 8.300 nan 0.000 0.480 64 Q N 0.120 119.746 119.800 -0.291 0.000 2.124 64 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 64 Q C 2.024 177.874 176.000 -0.250 0.000 0.977 64 Q CA 1.638 57.023 55.803 -0.695 0.000 0.850 64 Q CB -0.052 28.154 28.738 -0.887 0.000 0.901 64 Q HN 0.491 nan 8.270 nan 0.000 0.429 65 Q N -0.382 119.325 119.800 -0.157 0.000 2.172 65 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 65 Q C 1.933 177.901 176.000 -0.054 0.000 0.964 65 Q CA 0.906 56.649 55.803 -0.099 0.000 0.855 65 Q CB 0.038 28.721 28.738 -0.091 0.000 0.918 65 Q HN 0.309 nan 8.270 nan 0.000 0.444 66 L N -0.289 120.923 121.223 -0.019 0.000 2.072 66 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 66 L C 1.512 178.426 176.870 0.073 0.000 1.079 66 L CA 1.720 56.589 54.840 0.047 0.000 0.752 66 L CB 0.088 42.200 42.059 0.089 0.000 0.906 66 L HN 0.159 nan 8.230 nan 0.000 0.436 67 L N -1.318 119.961 121.223 0.093 0.000 2.609 67 L HA 0.418 4.758 4.340 -0.000 0.000 0.230 67 L C 1.414 178.235 176.870 -0.082 0.000 1.087 67 L CA 0.180 55.031 54.840 0.017 0.000 0.874 67 L CB -0.577 41.617 42.059 0.224 0.000 1.114 67 L HN 0.439 nan 8.230 nan 0.000 0.488 68 G N 2.070 110.862 108.800 -0.014 0.000 2.578 68 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.275 68 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.275 68 G C 0.266 175.220 174.900 0.091 0.000 1.271 68 G CA 0.465 45.552 45.100 -0.022 0.000 0.941 68 G HN 0.512 nan 8.290 nan 0.000 0.564 69 D N 0.256 120.675 120.400 0.031 0.000 2.340 69 D HA 0.371 5.011 4.640 -0.000 0.000 0.220 69 D C 1.856 178.156 176.300 -0.001 0.000 1.039 69 D CA 1.305 55.344 54.000 0.065 0.000 0.866 69 D CB -0.319 40.506 40.800 0.042 0.000 0.913 69 D HN 2.201 nan 8.370 nan 0.000 0.523 70 G N 0.193 108.944 108.800 -0.082 0.000 2.199 70 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.254 70 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.254 70 G C 1.326 176.183 174.900 -0.071 0.000 0.982 70 G CA 0.933 45.969 45.100 -0.107 0.000 0.632 70 G HN 0.663 nan 8.290 nan 0.000 0.529 71 S N 0.767 116.431 115.700 -0.060 0.000 2.399 71 S HA -0.142 4.327 4.470 -0.000 0.000 0.231 71 S C 1.944 176.549 174.600 0.008 0.000 1.022 71 S CA 1.607 59.800 58.200 -0.012 0.000 0.983 71 S CB -0.350 62.843 63.200 -0.011 0.000 0.803 71 S HN 0.456 nan 8.310 nan 0.000 0.480 72 N N 0.651 119.304 118.700 -0.078 0.000 2.272 72 N HA -0.072 4.668 4.740 -0.000 0.000 0.185 72 N C 0.260 175.901 175.510 0.219 0.000 1.014 72 N CA 1.128 54.162 53.050 -0.026 0.000 0.870 72 N CB -0.355 38.007 38.487 -0.209 0.000 0.975 72 N HN 0.661 nan 8.380 nan 0.000 0.433 73 W N -0.263 121.091 121.300 0.091 0.000 2.966 73 W HA 0.473 5.133 4.660 -0.000 0.000 0.406 73 W C 1.053 177.681 176.519 0.181 0.000 1.027 73 W CA -0.387 57.034 57.345 0.127 0.000 1.930 73 W CB -0.845 28.677 29.460 0.103 0.000 1.144 73 W HN 0.043 nan 8.180 nan 0.000 0.626 74 G N 1.190 110.172 108.800 0.303 0.000 2.160 74 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 74 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 74 G C -0.078 174.855 174.900 0.055 0.000 1.008 74 G CA 0.299 45.523 45.100 0.206 0.000 0.724 74 G HN 0.205 nan 8.290 nan 0.000 0.514 75 L N -0.851 120.421 121.223 0.082 0.000 2.304 75 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 75 L C -0.389 176.469 176.870 -0.021 0.000 1.010 75 L CA -1.114 53.726 54.840 -0.001 0.000 0.813 75 L CB 1.662 43.785 42.059 0.106 0.000 1.315 75 L HN 0.072 nan 8.230 nan 0.000 0.445 76 D N 1.651 122.030 120.400 -0.035 0.000 2.438 76 D HA 0.396 5.035 4.640 -0.000 0.000 0.257 76 D C -1.121 175.171 176.300 -0.013 0.000 1.148 76 D CA -0.202 53.789 54.000 -0.014 0.000 0.902 76 D CB 0.587 41.380 40.800 -0.012 0.000 1.062 76 D HN 0.270 nan 8.370 nan 0.000 0.518 77 L N 2.834 124.031 121.223 -0.043 0.000 2.289 77 L HA 0.464 4.804 4.340 -0.000 0.000 0.285 77 L C 0.517 177.256 176.870 -0.218 0.000 1.049 77 L CA -0.554 54.188 54.840 -0.163 0.000 0.804 77 L CB 1.462 43.436 42.059 -0.142 0.000 1.195 77 L HN 0.245 nan 8.230 nan 0.000 0.428 78 Q N 2.092 121.634 119.800 -0.430 0.000 2.458 78 Q HA 0.604 4.944 4.340 -0.000 0.000 0.282 78 Q C -1.781 173.774 176.000 -0.742 0.000 1.106 78 Q CA -0.834 54.752 55.803 -0.361 0.000 0.814 78 Q CB 2.916 31.547 28.738 -0.178 0.000 1.425 78 Q HN 0.345 nan 8.270 nan 0.000 0.437 79 Y N -0.625 119.603 120.300 -0.120 0.000 2.512 79 Y HA 0.794 5.344 4.550 -0.000 0.000 0.348 79 Y C -0.567 175.271 175.900 -0.103 0.000 0.990 79 Y CA -0.882 57.151 58.100 -0.111 0.000 1.033 79 Y CB 2.424 40.857 38.460 -0.044 0.000 1.259 79 Y HN 0.699 nan 8.280 nan 0.000 0.461 80 A N 1.133 123.969 122.820 0.027 0.000 2.594 80 A HA 0.807 5.126 4.320 -0.000 0.000 0.295 80 A C -1.909 175.680 177.584 0.009 0.000 1.071 80 A CA -0.746 51.290 52.037 -0.001 0.000 0.685 80 A CB 1.147 20.106 19.000 -0.068 0.000 1.285 80 A HN 0.455 nan 8.150 nan 0.000 0.405 81 V N 1.338 121.261 119.914 0.015 0.000 2.532 81 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 81 V C 0.219 176.314 176.094 0.002 0.000 1.041 81 V CA -0.356 61.956 62.300 0.019 0.000 0.926 81 V CB 1.557 33.397 31.823 0.027 0.000 0.992 81 V HN 0.894 nan 8.190 nan 0.000 0.457 82 Q N 5.477 125.280 119.800 0.004 0.000 2.400 82 Q HA 0.330 4.670 4.340 -0.000 0.000 0.255 82 Q C -1.960 174.047 176.000 0.012 0.000 1.008 82 Q CA -1.756 54.047 55.803 -0.001 0.000 0.841 82 Q CB 2.003 30.735 28.738 -0.009 0.000 1.220 82 Q HN 0.462 nan 8.270 nan 0.000 0.474 83 P HA -0.113 nan 4.420 nan 0.000 0.217 83 P C -0.238 177.072 177.300 0.017 0.000 1.148 83 P CA 0.897 64.006 63.100 0.015 0.000 0.828 83 P CB 0.343 32.050 31.700 0.012 0.000 0.783 84 S N -2.253 113.455 115.700 0.013 0.000 2.537 84 S HA 0.458 4.928 4.470 -0.000 0.000 0.270 84 S C -2.950 171.657 174.600 0.011 0.000 1.142 84 S CA -1.650 56.558 58.200 0.013 0.000 0.870 84 S CB 1.226 64.433 63.200 0.011 0.000 1.112 84 S HN -0.238 nan 8.310 nan 0.000 0.466 85 P HA 0.340 nan 4.420 nan 0.000 0.225 85 P C -0.659 176.646 177.300 0.009 0.000 1.813 85 P CA -0.151 62.955 63.100 0.010 0.000 1.013 85 P CB -0.310 31.396 31.700 0.011 0.000 1.961 86 D N 0.858 121.262 120.400 0.008 0.000 2.325 86 D HA 0.301 4.941 4.640 -0.000 0.000 0.225 86 D C 1.140 177.445 176.300 0.010 0.000 1.096 86 D CA 0.607 54.611 54.000 0.008 0.000 0.844 86 D CB 0.256 41.060 40.800 0.007 0.000 0.925 86 D HN 0.355 nan 8.370 nan 0.000 0.513 87 G N -0.340 108.468 108.800 0.012 0.000 2.307 87 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.348 87 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.348 87 G C 0.354 175.264 174.900 0.017 0.000 1.603 87 G CA -0.891 44.219 45.100 0.017 0.000 0.961 87 G HN 0.092 nan 8.290 nan 0.000 0.686 88 L N 1.007 122.246 121.223 0.026 0.000 2.131 88 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 88 L C 3.126 180.010 176.870 0.023 0.000 1.092 88 L CA 1.922 56.775 54.840 0.023 0.000 0.759 88 L CB -0.422 41.656 42.059 0.033 0.000 0.903 88 L HN 0.817 nan 8.230 nan 0.000 0.435 89 A N -0.657 122.190 122.820 0.045 0.000 2.121 89 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 89 A C 2.171 179.818 177.584 0.105 0.000 1.154 89 A CA 0.957 53.064 52.037 0.115 0.000 0.679 89 A CB -0.333 18.703 19.000 0.060 0.000 0.795 89 A HN 0.471 nan 8.150 nan 0.000 0.458 90 Q N -0.639 119.179 119.800 0.030 0.000 2.364 90 Q HA -0.126 4.214 4.340 -0.000 0.000 0.209 90 Q C 2.302 178.274 176.000 -0.047 0.000 0.977 90 Q CA 0.915 56.721 55.803 0.005 0.000 0.885 90 Q CB -0.365 28.369 28.738 -0.007 0.000 0.941 90 Q HN 0.735 nan 8.270 nan 0.000 0.464 91 A N 0.415 123.156 122.820 -0.132 0.000 1.940 91 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 91 A C 1.582 178.922 177.584 -0.407 0.000 1.176 91 A CA 1.240 53.087 52.037 -0.316 0.000 0.631 91 A CB -0.686 18.009 19.000 -0.509 0.000 0.814 91 A HN 0.346 nan 8.150 nan 0.000 0.446 92 F N -0.534 119.401 119.950 -0.024 0.000 2.558 92 F HA 0.105 4.632 4.527 -0.000 0.000 0.298 92 F C 1.884 177.679 175.800 -0.009 0.000 1.119 92 F CA 0.545 58.533 58.000 -0.020 0.000 1.451 92 F CB -0.097 38.856 39.000 -0.078 0.000 1.091 92 F HN 0.106 nan 8.300 nan 0.000 0.563 93 L N -0.743 120.530 121.223 0.083 0.000 2.145 93 L HA -0.039 4.301 4.340 -0.000 0.000 0.201 93 L C 2.222 179.108 176.870 0.027 0.000 1.075 93 L CA 0.799 55.671 54.840 0.054 0.000 0.773 93 L CB -0.539 41.542 42.059 0.036 0.000 0.936 93 L HN 0.048 nan 8.230 nan 0.000 0.451 94 I N 0.471 121.038 120.570 -0.006 0.000 2.264 94 I HA -0.202 3.967 4.170 -0.000 0.000 0.248 94 I C 2.117 178.228 176.117 -0.009 0.000 1.111 94 I CA 1.603 62.892 61.300 -0.019 0.000 1.382 94 I CB -0.518 37.451 38.000 -0.050 0.000 1.060 94 I HN 0.276 nan 8.210 nan 0.000 0.418 95 G N -0.401 108.389 108.800 -0.018 0.000 3.233 95 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.227 95 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.227 95 G C 1.237 176.228 174.900 0.153 0.000 1.175 95 G CA -0.136 44.998 45.100 0.055 0.000 0.781 95 G HN 0.388 nan 8.290 nan 0.000 0.542 96 E N 0.504 120.768 120.200 0.108 0.000 2.049 96 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 96 E C 2.483 179.141 176.600 0.096 0.000 1.007 96 E CA 1.504 57.968 56.400 0.106 0.000 0.809 96 E CB -0.179 29.565 29.700 0.074 0.000 0.749 96 E HN 0.332 nan 8.360 nan 0.000 0.450 97 S N -0.698 115.057 115.700 0.093 0.000 2.368 97 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 97 S C 1.759 176.419 174.600 0.099 0.000 1.030 97 S CA 1.266 59.514 58.200 0.079 0.000 0.999 97 S CB -0.568 62.676 63.200 0.074 0.000 0.844 97 S HN 0.489 nan 8.310 nan 0.000 0.459 98 F N 1.891 121.839 119.950 -0.003 0.000 2.134 98 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 98 F C 1.791 177.592 175.800 0.002 0.000 1.097 98 F CA 1.559 59.552 58.000 -0.011 0.000 1.264 98 F CB -0.373 38.608 39.000 -0.032 0.000 1.001 98 F HN 0.235 nan 8.300 nan 0.000 0.479 99 I N 0.061 120.587 120.570 -0.073 0.000 2.315 99 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 99 I C 2.129 178.164 176.117 -0.136 0.000 1.117 99 I CA 0.829 62.040 61.300 -0.148 0.000 1.404 99 I CB -1.326 36.728 38.000 0.089 0.000 1.071 99 I HN 0.455 nan 8.210 nan 0.000 0.419 100 G N 1.625 110.389 108.800 -0.061 0.000 2.611 100 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.301 100 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.301 100 G C 0.395 175.280 174.900 -0.025 0.000 1.233 100 G CA 0.561 45.634 45.100 -0.045 0.000 0.993 100 G HN 0.386 nan 8.290 nan 0.000 0.553 101 N N 2.535 121.216 118.700 -0.032 0.000 2.376 101 N HA 0.235 4.975 4.740 -0.000 0.000 0.249 101 N C -0.503 174.999 175.510 -0.013 0.000 1.140 101 N CA 0.223 53.265 53.050 -0.014 0.000 0.870 101 N CB 0.264 38.743 38.487 -0.013 0.000 1.124 101 N HN 0.460 nan 8.380 nan 0.000 0.505 102 D N 0.170 120.555 120.400 -0.024 0.000 2.326 102 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 102 D C 0.724 177.041 176.300 0.029 0.000 1.001 102 D CA -0.494 53.495 54.000 -0.018 0.000 0.961 102 D CB 2.186 42.945 40.800 -0.069 0.000 1.183 102 D HN -0.073 nan 8.370 nan 0.000 0.502 103 L N 0.729 121.979 121.223 0.046 0.000 2.482 103 L HA 0.141 4.481 4.340 -0.000 0.000 0.273 103 L C 0.993 177.934 176.870 0.119 0.000 1.228 103 L CA 0.352 55.248 54.840 0.094 0.000 0.827 103 L CB 0.292 42.405 42.059 0.090 0.000 1.099 103 L HN 0.428 nan 8.230 nan 0.000 0.494 104 S N 0.454 116.270 115.700 0.193 0.000 2.651 104 S HA 0.935 5.404 4.470 -0.000 0.000 0.279 104 S C -0.997 173.734 174.600 0.218 0.000 1.148 104 S CA -0.506 57.835 58.200 0.234 0.000 0.837 104 S CB 2.243 65.656 63.200 0.354 0.000 1.138 104 S HN 0.859 nan 8.310 nan 0.000 0.478 105 A N 0.282 123.189 122.820 0.144 0.000 2.520 105 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 105 A C -1.722 175.889 177.584 0.045 0.000 1.051 105 A CA -0.643 51.338 52.037 -0.093 0.000 0.690 105 A CB 1.585 20.289 19.000 -0.493 0.000 1.281 105 A HN 1.364 nan 8.150 nan 0.000 0.402 106 L N 2.116 123.404 121.223 0.108 0.000 2.362 106 L HA 0.862 5.202 4.340 -0.000 0.000 0.275 106 L C -1.232 175.727 176.870 0.150 0.000 0.998 106 L CA -0.612 54.328 54.840 0.168 0.000 0.820 106 L CB 1.792 44.061 42.059 0.350 0.000 1.270 106 L HN 0.824 nan 8.230 nan 0.000 0.415 107 V N 5.879 125.852 119.914 0.097 0.000 2.789 107 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 107 V C -0.585 175.604 176.094 0.159 0.000 1.073 107 V CA -0.744 61.632 62.300 0.127 0.000 0.921 107 V CB 2.234 34.112 31.823 0.091 0.000 1.009 107 V HN 0.745 nan 8.190 nan 0.000 0.426 108 L N 5.222 126.575 121.223 0.217 0.000 2.397 108 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 108 L C 1.764 178.731 176.870 0.161 0.000 1.148 108 L CA 0.433 55.388 54.840 0.190 0.000 0.825 108 L CB 0.978 43.182 42.059 0.241 0.000 1.117 108 L HN 0.836 nan 8.230 nan 0.000 0.456 109 G N 0.856 109.725 108.800 0.114 0.000 2.559 109 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 109 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 109 G C 0.713 175.699 174.900 0.143 0.000 1.126 109 G CA 0.546 45.714 45.100 0.113 0.000 0.778 109 G HN 0.861 nan 8.290 nan 0.000 0.543 110 D N -1.009 119.464 120.400 0.121 0.000 2.440 110 D HA 0.032 4.672 4.640 -0.000 0.000 0.216 110 D C 0.101 176.420 176.300 0.033 0.000 1.150 110 D CA -0.533 53.515 54.000 0.080 0.000 0.832 110 D CB -0.642 40.191 40.800 0.054 0.000 0.992 110 D HN 0.121 nan 8.370 nan 0.000 0.502 111 N N 0.817 119.569 118.700 0.088 0.000 2.426 111 N HA 0.337 5.077 4.740 -0.000 0.000 0.275 111 N C -1.120 174.388 175.510 -0.005 0.000 1.019 111 N CA -0.499 52.568 53.050 0.029 0.000 0.941 111 N CB 2.037 40.646 38.487 0.203 0.000 1.123 111 N HN 0.122 nan 8.380 nan 0.000 0.486 112 L N 4.105 125.200 121.223 -0.212 0.000 2.343 112 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 112 L C -1.506 175.227 176.870 -0.228 0.000 0.996 112 L CA -0.677 54.088 54.840 -0.126 0.000 0.831 112 L CB 0.517 42.418 42.059 -0.263 0.000 1.232 112 L HN 0.494 nan 8.230 nan 0.000 0.413 113 Y N 4.088 124.433 120.300 0.074 0.000 2.446 113 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 113 Y C -0.891 174.950 175.900 -0.098 0.000 1.055 113 Y CA -0.444 57.573 58.100 -0.137 0.000 1.101 113 Y CB 1.898 40.097 38.460 -0.434 0.000 1.221 113 Y HN 0.466 nan 8.280 nan 0.000 0.460 114 Y N 0.304 120.520 120.300 -0.140 0.000 2.480 114 Y HA 0.661 5.211 4.550 -0.000 0.000 0.329 114 Y C -0.444 175.527 175.900 0.119 0.000 1.127 114 Y CA -0.633 57.460 58.100 -0.011 0.000 1.037 114 Y CB 2.079 40.651 38.460 0.188 0.000 1.320 114 Y HN 0.791 nan 8.280 nan 0.000 0.446 115 G N 2.359 110.920 108.800 -0.398 0.000 2.328 115 G HA2 0.229 4.189 3.960 -0.000 0.000 0.299 115 G HA3 0.229 4.189 3.960 -0.000 0.000 0.299 115 G C -2.192 172.635 174.900 -0.123 0.000 1.435 115 G CA -1.167 43.846 45.100 -0.145 0.000 0.865 115 G HN 0.912 nan 8.290 nan 0.000 0.601 116 H N 0.482 119.429 119.070 -0.204 0.000 2.928 116 H HA 0.410 4.966 4.556 -0.000 0.000 0.338 116 H C 0.803 176.125 175.328 -0.010 0.000 1.047 116 H CA 1.868 57.854 56.048 -0.103 0.000 1.435 116 H CB 0.641 30.343 29.762 -0.100 0.000 1.428 116 H HN 0.605 nan 8.280 nan 0.000 0.590 117 D N 2.850 122.885 120.400 -0.608 0.000 3.077 117 D HA -0.265 4.375 4.640 -0.000 0.000 0.212 117 D C 0.943 177.319 176.300 0.128 0.000 1.125 117 D CA 0.885 54.691 54.000 -0.323 0.000 0.970 117 D CB -1.673 38.917 40.800 -0.350 0.000 1.110 117 D HN 0.481 nan 8.370 nan 0.000 0.419 118 F N 0.714 120.711 119.950 0.077 0.000 2.192 118 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 118 F C 2.270 178.032 175.800 -0.063 0.000 1.079 118 F CA 2.507 60.547 58.000 0.066 0.000 1.303 118 F CB -0.554 38.457 39.000 0.019 0.000 1.024 118 F HN 0.397 nan 8.300 nan 0.000 0.494 119 H N -0.449 118.578 119.070 -0.073 0.000 2.352 119 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 119 H C 2.103 177.322 175.328 -0.182 0.000 1.097 119 H CA 2.297 58.241 56.048 -0.174 0.000 1.311 119 H CB -0.142 29.558 29.762 -0.102 0.000 1.377 119 H HN 0.430 nan 8.280 nan 0.000 0.504 120 E N -0.060 120.242 120.200 0.171 0.000 2.072 120 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 120 E C 2.220 178.818 176.600 -0.003 0.000 0.982 120 E CA 0.865 57.355 56.400 0.150 0.000 0.803 120 E CB -0.038 29.702 29.700 0.066 0.000 0.755 120 E HN 0.379 nan 8.360 nan 0.000 0.453 121 L N 1.196 122.392 121.223 -0.046 0.000 2.017 121 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 121 L C 2.083 178.806 176.870 -0.245 0.000 1.073 121 L CA 1.558 56.340 54.840 -0.096 0.000 0.745 121 L CB -0.325 41.672 42.059 -0.103 0.000 0.894 121 L HN 0.100 nan 8.230 nan 0.000 0.432 122 L N -0.901 120.045 121.223 -0.462 0.000 2.017 122 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 122 L C 2.530 179.176 176.870 -0.372 0.000 1.073 122 L CA 1.367 55.905 54.840 -0.504 0.000 0.745 122 L CB -1.423 40.229 42.059 -0.679 0.000 0.894 122 L HN 0.455 nan 8.230 nan 0.000 0.432 123 G N -1.120 107.506 108.800 -0.292 0.000 2.422 123 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 123 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 123 G C 1.739 176.554 174.900 -0.142 0.000 1.146 123 G CA 0.882 45.890 45.100 -0.153 0.000 0.769 123 G HN 0.326 nan 8.290 nan 0.000 0.547 124 S N 0.998 116.617 115.700 -0.135 0.000 2.356 124 S HA -0.025 4.445 4.470 -0.000 0.000 0.223 124 S C 2.793 177.259 174.600 -0.223 0.000 1.032 124 S CA 1.257 59.380 58.200 -0.129 0.000 1.005 124 S CB -0.375 62.776 63.200 -0.081 0.000 0.867 124 S HN 0.573 nan 8.310 nan 0.000 0.449 125 A N 0.589 123.194 122.820 -0.358 0.000 1.898 125 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 125 A C 2.263 179.409 177.584 -0.730 0.000 1.181 125 A CA 1.823 53.486 52.037 -0.624 0.000 0.620 125 A CB -0.892 17.532 19.000 -0.959 0.000 0.819 125 A HN 0.454 nan 8.150 nan 0.000 0.442 126 S N -0.876 114.428 115.700 -0.660 0.000 2.428 126 S HA -0.127 4.343 4.470 -0.000 0.000 0.230 126 S C 1.920 176.458 174.600 -0.102 0.000 1.014 126 S CA 1.331 59.358 58.200 -0.289 0.000 0.957 126 S CB -0.267 62.905 63.200 -0.047 0.000 0.784 126 S HN 0.683 nan 8.310 nan 0.000 0.499 127 Q N 0.233 119.960 119.800 -0.121 0.000 2.425 127 Q HA 0.179 4.519 4.340 -0.000 0.000 0.204 127 Q C 0.365 176.329 176.000 -0.061 0.000 0.933 127 Q CA 0.075 55.842 55.803 -0.059 0.000 0.939 127 Q CB 0.269 28.980 28.738 -0.044 0.000 1.044 127 Q HN 0.373 nan 8.270 nan 0.000 0.513 128 R N 0.797 121.238 120.500 -0.099 0.000 2.694 128 R HA 0.041 4.380 4.340 -0.000 0.000 0.268 128 R C 0.412 176.690 176.300 -0.036 0.000 1.061 128 R CA 0.592 56.646 56.100 -0.076 0.000 1.133 128 R CB 0.403 30.635 30.300 -0.113 0.000 1.020 128 R HN 0.225 nan 8.270 nan 0.000 0.475 129 Q N 0.030 119.820 119.800 -0.017 0.000 2.135 129 Q HA 0.143 4.483 4.340 -0.000 0.000 0.231 129 Q C -0.501 175.511 176.000 0.019 0.000 0.817 129 Q CA -0.013 55.794 55.803 0.006 0.000 1.073 129 Q CB 1.702 30.444 28.738 0.007 0.000 1.176 129 Q HN 0.449 nan 8.270 nan 0.000 0.478 130 T N -0.980 113.583 114.554 0.015 0.000 2.889 130 T HA 0.586 4.936 4.350 -0.000 0.000 0.315 130 T C -0.178 174.543 174.700 0.035 0.000 1.291 130 T CA 0.458 62.581 62.100 0.038 0.000 1.028 130 T CB 1.389 70.275 68.868 0.030 0.000 1.235 130 T HN 0.489 nan 8.240 nan 0.000 0.491 131 G N 1.730 110.597 108.800 0.110 0.000 2.601 131 G HA2 0.328 4.287 3.960 -0.000 0.000 0.252 131 G HA3 0.328 4.287 3.960 -0.000 0.000 0.252 131 G C -0.103 174.713 174.900 -0.141 0.000 1.294 131 G CA -0.086 45.090 45.100 0.128 0.000 0.912 131 G HN 1.622 nan 8.290 nan 0.000 0.574 132 A N -1.108 121.450 122.820 -0.437 0.000 2.374 132 A HA 0.895 5.215 4.320 -0.000 0.000 0.317 132 A C -0.044 177.303 177.584 -0.396 0.000 1.094 132 A CA 0.640 52.288 52.037 -0.649 0.000 0.765 132 A CB 1.867 20.185 19.000 -1.136 0.000 1.268 132 A HN 1.830 nan 8.150 nan 0.000 0.438 133 S N 0.037 115.504 115.700 -0.389 0.000 2.532 133 S HA 0.691 5.161 4.470 -0.000 0.000 0.299 133 S C -0.315 174.025 174.600 -0.433 0.000 1.105 133 S CA -0.371 57.597 58.200 -0.388 0.000 1.018 133 S CB 1.399 64.354 63.200 -0.409 0.000 1.021 133 S HN 1.679 nan 8.310 nan 0.000 0.483 134 V N 0.176 119.764 119.914 -0.542 0.000 3.158 134 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 134 V C -1.697 173.860 176.094 -0.895 0.000 1.181 134 V CA -1.050 60.921 62.300 -0.548 0.000 1.054 134 V CB 1.486 33.218 31.823 -0.152 0.000 1.085 134 V HN 0.667 nan 8.190 nan 0.000 0.446 135 F N 0.607 120.478 119.950 -0.133 0.000 2.551 135 F HA 0.894 5.421 4.527 -0.000 0.000 0.316 135 F C 0.443 176.208 175.800 -0.059 0.000 1.089 135 F CA -0.363 57.577 58.000 -0.101 0.000 0.915 135 F CB 2.173 41.069 39.000 -0.174 0.000 1.186 135 F HN 0.889 nan 8.300 nan 0.000 0.456 136 A N 2.806 125.769 122.820 0.240 0.000 2.303 136 A HA 0.696 5.016 4.320 -0.000 0.000 0.320 136 A C -2.094 175.793 177.584 0.505 0.000 1.192 136 A CA -0.581 51.658 52.037 0.337 0.000 0.821 136 A CB 0.572 19.817 19.000 0.409 0.000 1.188 136 A HN 0.744 nan 8.150 nan 0.000 0.492 137 Y N 2.468 122.959 120.300 0.319 0.000 2.373 137 Y HA 0.315 4.865 4.550 -0.000 0.000 0.336 137 Y C -0.018 175.996 175.900 0.190 0.000 0.979 137 Y CA -0.596 57.685 58.100 0.303 0.000 1.080 137 Y CB 1.224 39.798 38.460 0.190 0.000 1.190 137 Y HN 0.802 nan 8.280 nan 0.000 0.446 138 H N 5.960 124.832 119.070 -0.331 0.000 2.975 138 H HA 0.428 4.984 4.556 -0.000 0.000 0.303 138 H C -0.794 174.343 175.328 -0.318 0.000 1.023 138 H CA 0.794 56.462 56.048 -0.635 0.000 1.473 138 H CB 0.335 29.686 29.762 -0.684 0.000 1.498 138 H HN 0.606 nan 8.280 nan 0.000 0.549 139 V N 3.367 123.136 119.914 -0.243 0.000 3.001 139 V HA 0.172 4.292 4.120 -0.000 0.000 0.314 139 V C 0.870 176.938 176.094 -0.043 0.000 1.099 139 V CA -1.015 61.292 62.300 0.011 0.000 0.989 139 V CB 1.773 33.700 31.823 0.173 0.000 1.040 139 V HN 0.597 nan 8.190 nan 0.000 0.434 140 L N 1.587 122.838 121.223 0.047 0.000 2.093 140 L HA 0.142 4.482 4.340 -0.000 0.000 0.208 140 L C 1.095 177.983 176.870 0.031 0.000 1.085 140 L CA 2.225 57.087 54.840 0.037 0.000 0.755 140 L CB -0.512 41.574 42.059 0.044 0.000 0.904 140 L HN 1.067 nan 8.230 nan 0.000 0.435 141 D N -1.687 118.755 120.400 0.070 0.000 2.683 141 D HA 0.202 4.842 4.640 -0.000 0.000 0.309 141 D C -2.029 174.356 176.300 0.142 0.000 1.238 141 D CA -2.175 51.869 54.000 0.073 0.000 0.936 141 D CB 0.134 40.963 40.800 0.049 0.000 1.001 141 D HN 0.210 nan 8.370 nan 0.000 0.505 142 P HA -0.165 nan 4.420 nan 0.000 0.223 142 P C 1.304 178.700 177.300 0.159 0.000 1.151 142 P CA 0.932 64.151 63.100 0.198 0.000 0.787 142 P CB 0.295 32.049 31.700 0.090 0.000 0.788 143 E N 1.185 121.425 120.200 0.067 0.000 2.396 143 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 143 E C 1.538 178.113 176.600 -0.042 0.000 1.023 143 E CA 0.909 57.322 56.400 0.020 0.000 0.857 143 E CB -0.692 29.010 29.700 0.003 0.000 0.775 143 E HN 0.305 nan 8.360 nan 0.000 0.525 144 R N -0.808 119.612 120.500 -0.133 0.000 2.297 144 R HA 0.170 4.510 4.340 -0.000 0.000 0.197 144 R C 0.054 176.000 176.300 -0.590 0.000 0.943 144 R CA 0.320 56.175 56.100 -0.407 0.000 1.038 144 R CB 0.221 30.141 30.300 -0.633 0.000 0.957 144 R HN 0.182 nan 8.270 nan 0.000 0.484 145 Y N -1.735 118.629 120.300 0.106 0.000 2.698 145 Y HA 0.453 5.003 4.550 -0.000 0.000 0.332 145 Y C 0.833 176.809 175.900 0.127 0.000 1.119 145 Y CA -1.488 56.704 58.100 0.153 0.000 1.109 145 Y CB 0.760 39.362 38.460 0.236 0.000 1.308 145 Y HN -0.147 nan 8.280 nan 0.000 0.499 146 G N 0.623 109.632 108.800 0.348 0.000 2.378 146 G HA2 0.442 4.402 3.960 -0.000 0.000 0.255 146 G HA3 0.442 4.402 3.960 -0.000 0.000 0.255 146 G C -1.235 173.790 174.900 0.209 0.000 1.270 146 G CA -0.181 45.055 45.100 0.225 0.000 0.876 146 G HN 0.314 nan 8.290 nan 0.000 0.521 147 V N 3.041 123.039 119.914 0.139 0.000 2.459 147 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 147 V C 0.046 176.160 176.094 0.034 0.000 1.029 147 V CA -0.864 61.501 62.300 0.109 0.000 0.874 147 V CB 1.553 33.433 31.823 0.095 0.000 0.985 147 V HN 0.579 nan 8.190 nan 0.000 0.438 148 V N 4.864 124.775 119.914 -0.005 0.000 2.435 148 V HA 0.554 4.674 4.120 -0.000 0.000 0.290 148 V C -0.145 175.746 176.094 -0.339 0.000 1.030 148 V CA -0.202 61.975 62.300 -0.204 0.000 0.881 148 V CB 1.623 33.260 31.823 -0.311 0.000 0.983 148 V HN 1.036 nan 8.190 nan 0.000 0.445 149 E N 5.513 125.500 120.200 -0.355 0.000 2.166 149 E HA 0.470 4.820 4.350 -0.000 0.000 0.275 149 E C -1.630 174.714 176.600 -0.427 0.000 0.941 149 E CA -0.554 55.687 56.400 -0.265 0.000 0.784 149 E CB 1.261 30.908 29.700 -0.089 0.000 1.115 149 E HN 0.633 nan 8.360 nan 0.000 0.399 150 F N 2.367 122.329 119.950 0.019 0.000 2.507 150 F HA 0.219 4.746 4.527 -0.000 0.000 0.327 150 F C 0.636 176.438 175.800 0.004 0.000 1.068 150 F CA -0.891 57.104 58.000 -0.008 0.000 0.965 150 F CB 1.085 40.056 39.000 -0.048 0.000 1.192 150 F HN 0.487 nan 8.300 nan 0.000 0.476 151 D N 0.205 120.723 120.400 0.196 0.000 2.447 151 D HA 0.061 4.701 4.640 -0.000 0.000 0.265 151 D C 0.796 177.158 176.300 0.104 0.000 1.250 151 D CA -0.333 53.736 54.000 0.115 0.000 1.046 151 D CB 0.459 41.304 40.800 0.075 0.000 1.095 151 D HN 0.303 nan 8.370 nan 0.000 0.555 152 Q N -0.381 119.458 119.800 0.066 0.000 2.226 152 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 152 Q C 1.916 177.931 176.000 0.026 0.000 0.975 152 Q CA 1.683 57.513 55.803 0.045 0.000 0.866 152 Q CB -0.721 28.038 28.738 0.035 0.000 0.915 152 Q HN 0.776 nan 8.270 nan 0.000 0.440 153 G N -1.108 107.709 108.800 0.029 0.000 2.985 153 G HA2 0.273 4.233 3.960 -0.000 0.000 0.209 153 G HA3 0.273 4.233 3.960 -0.000 0.000 0.209 153 G C 0.857 175.754 174.900 -0.005 0.000 1.165 153 G CA 0.398 45.504 45.100 0.011 0.000 0.776 153 G HN 0.466 nan 8.290 nan 0.000 0.541 154 G N -0.312 108.490 108.800 0.004 0.000 2.157 154 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.239 154 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.239 154 G C 0.278 175.217 174.900 0.065 0.000 0.982 154 G CA 0.323 45.377 45.100 -0.078 0.000 0.650 154 G HN 0.694 nan 8.290 nan 0.000 0.527 155 K N 0.988 121.480 120.400 0.153 0.000 2.227 155 K HA 0.697 5.017 4.320 -0.000 0.000 0.280 155 K C 0.812 177.557 176.600 0.241 0.000 1.041 155 K CA 0.009 56.398 56.287 0.169 0.000 0.905 155 K CB 0.713 33.263 32.500 0.084 0.000 1.068 155 K HN 0.598 nan 8.250 nan 0.000 0.470 156 A N 5.232 128.181 122.820 0.214 0.000 2.492 156 A HA 0.173 4.493 4.320 -0.000 0.000 0.254 156 A C 0.849 178.405 177.584 -0.047 0.000 1.091 156 A CA -0.132 51.881 52.037 -0.040 0.000 0.768 156 A CB -0.471 18.473 19.000 -0.093 0.000 1.028 156 A HN 0.940 nan 8.150 nan 0.000 0.498 157 I N 0.329 120.844 120.570 -0.091 0.000 4.456 157 I HA 0.298 4.468 4.170 -0.000 0.000 0.329 157 I C 0.487 176.574 176.117 -0.049 0.000 1.313 157 I CA 0.450 61.726 61.300 -0.041 0.000 1.205 157 I CB 0.235 38.229 38.000 -0.010 0.000 1.179 157 I HN 0.553 nan 8.210 nan 0.000 0.419 158 S N 0.938 116.585 115.700 -0.087 0.000 2.565 158 S HA 0.750 5.220 4.470 -0.000 0.000 0.269 158 S C -1.297 173.260 174.600 -0.073 0.000 1.153 158 S CA -0.712 57.453 58.200 -0.058 0.000 0.835 158 S CB 2.166 65.345 63.200 -0.034 0.000 1.122 158 S HN 0.222 nan 8.310 nan 0.000 0.462 159 L N 1.301 122.505 121.223 -0.031 0.000 2.408 159 L HA 0.689 5.029 4.340 -0.000 0.000 0.268 159 L C -0.707 176.171 176.870 0.013 0.000 0.986 159 L CA -0.460 54.374 54.840 -0.010 0.000 0.820 159 L CB 2.224 44.290 42.059 0.012 0.000 1.303 159 L HN 0.808 nan 8.230 nan 0.000 0.411 160 E N 1.505 121.721 120.200 0.028 0.000 2.292 160 E HA 0.314 4.664 4.350 -0.000 0.000 0.272 160 E C -1.461 175.174 176.600 0.059 0.000 0.881 160 E CA -0.868 55.554 56.400 0.036 0.000 0.754 160 E CB 3.095 32.813 29.700 0.030 0.000 1.201 160 E HN 0.362 nan 8.360 nan 0.000 0.425 161 E N 2.812 123.045 120.200 0.055 0.000 2.167 161 E HA 0.103 4.453 4.350 -0.000 0.000 0.284 161 E C -0.955 175.677 176.600 0.053 0.000 1.016 161 E CA -0.305 56.136 56.400 0.068 0.000 0.817 161 E CB 0.375 30.111 29.700 0.059 0.000 1.080 161 E HN 0.390 nan 8.360 nan 0.000 0.397 162 K N 3.901 124.338 120.400 0.062 0.000 3.490 162 K HA -0.146 4.174 4.320 -0.000 0.000 0.273 162 K C -2.159 174.455 176.600 0.024 0.000 0.916 162 K CA 0.573 56.878 56.287 0.031 0.000 0.718 162 K CB -1.327 31.176 32.500 0.004 0.000 1.477 162 K HN 0.553 nan 8.250 nan 0.000 0.452 163 P HA -0.025 nan 4.420 nan 0.000 0.271 163 P C 0.844 178.155 177.300 0.018 0.000 1.216 163 P CA -0.003 63.112 63.100 0.025 0.000 0.771 163 P CB 0.756 32.474 31.700 0.031 0.000 0.864 164 L N 1.548 122.779 121.223 0.012 0.000 2.201 164 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 164 L C 1.109 177.987 176.870 0.012 0.000 1.105 164 L CA 1.511 56.356 54.840 0.009 0.000 0.775 164 L CB -0.290 41.773 42.059 0.006 0.000 0.913 164 L HN 0.435 nan 8.230 nan 0.000 0.440 165 E N 0.033 120.243 120.200 0.016 0.000 2.916 165 E HA 0.236 4.586 4.350 -0.000 0.000 0.217 165 E C -2.272 174.343 176.600 0.025 0.000 1.100 165 E CA -1.915 54.496 56.400 0.019 0.000 0.891 165 E CB 0.792 30.502 29.700 0.018 0.000 1.311 165 E HN 0.028 nan 8.360 nan 0.000 0.421 166 P HA -0.052 nan 4.420 nan 0.000 0.265 166 P C 0.185 177.508 177.300 0.038 0.000 1.187 166 P CA 0.130 63.252 63.100 0.037 0.000 0.766 166 P CB 0.818 32.542 31.700 0.041 0.000 0.820 167 K N 0.282 120.707 120.400 0.040 0.000 2.400 167 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 167 K C 0.837 177.479 176.600 0.069 0.000 1.033 167 K CA 0.446 56.760 56.287 0.044 0.000 1.021 167 K CB 0.130 32.648 32.500 0.030 0.000 0.808 167 K HN 0.635 nan 8.250 nan 0.000 0.505 168 S N -0.988 114.759 115.700 0.079 0.000 2.688 168 S HA 0.280 4.750 4.470 -0.000 0.000 0.275 168 S C -0.598 174.033 174.600 0.052 0.000 1.175 168 S CA -1.041 57.233 58.200 0.124 0.000 0.818 168 S CB 0.900 64.244 63.200 0.241 0.000 1.157 168 S HN -0.061 nan 8.310 nan 0.000 0.482 169 N N 0.136 118.809 118.700 -0.045 0.000 2.279 169 N HA 0.238 4.977 4.740 -0.000 0.000 0.226 169 N C -1.532 173.682 175.510 -0.494 0.000 1.126 169 N CA 0.160 53.010 53.050 -0.334 0.000 0.846 169 N CB -0.121 37.965 38.487 -0.669 0.000 1.050 169 N HN 0.533 nan 8.380 nan 0.000 0.502 170 Y N 0.840 121.141 120.300 0.001 0.000 2.385 170 Y HA 0.472 5.022 4.550 -0.000 0.000 0.341 170 Y C 0.454 176.422 175.900 0.115 0.000 0.965 170 Y CA -0.872 57.293 58.100 0.109 0.000 1.180 170 Y CB 1.062 39.696 38.460 0.290 0.000 1.139 170 Y HN -0.039 nan 8.280 nan 0.000 0.502 171 A N 3.156 126.104 122.820 0.214 0.000 2.316 171 A HA 0.605 4.924 4.320 -0.000 0.000 0.284 171 A C -0.572 177.073 177.584 0.101 0.000 1.115 171 A CA -0.662 51.488 52.037 0.188 0.000 0.812 171 A CB 0.429 19.526 19.000 0.160 0.000 1.064 171 A HN 0.535 nan 8.150 nan 0.000 0.489 172 V N 2.998 122.959 119.914 0.079 0.000 2.470 172 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 172 V C 1.260 177.226 176.094 -0.213 0.000 1.040 172 V CA 0.276 62.577 62.300 0.000 0.000 1.008 172 V CB 0.446 32.339 31.823 0.117 0.000 0.990 172 V HN 1.099 nan 8.190 nan 0.000 0.477 173 T N 2.057 116.308 114.554 -0.504 0.000 2.788 173 T HA 0.331 4.681 4.350 -0.000 0.000 0.287 173 T C 0.995 175.397 174.700 -0.497 0.000 1.007 173 T CA 0.010 61.498 62.100 -1.020 0.000 1.005 173 T CB 1.270 69.291 68.868 -1.411 0.000 1.012 173 T HN 0.845 nan 8.240 nan 0.000 0.530 174 G N 0.721 109.403 108.800 -0.196 0.000 3.455 174 G HA2 0.451 4.411 3.960 -0.000 0.000 0.250 174 G HA3 0.451 4.411 3.960 -0.000 0.000 0.250 174 G C -0.580 174.222 174.900 -0.163 0.000 1.071 174 G CA -0.328 44.760 45.100 -0.020 0.000 1.812 174 G HN 0.697 nan 8.290 nan 0.000 0.643 175 L N 0.483 121.307 121.223 -0.666 0.000 2.516 175 L HA 0.665 5.005 4.340 -0.000 0.000 0.267 175 L C -1.911 174.603 176.870 -0.593 0.000 0.957 175 L CA -1.436 53.147 54.840 -0.429 0.000 0.860 175 L CB 1.261 43.153 42.059 -0.278 0.000 1.265 175 L HN 0.179 nan 8.230 nan 0.000 0.403 176 Y N 4.562 124.802 120.300 -0.100 0.000 2.457 176 Y HA 0.672 5.222 4.550 -0.000 0.000 0.343 176 Y C -1.010 174.579 175.900 -0.517 0.000 0.994 176 Y CA -0.691 57.273 58.100 -0.227 0.000 1.031 176 Y CB 1.969 40.379 38.460 -0.084 0.000 1.246 176 Y HN 0.376 nan 8.280 nan 0.000 0.449 177 F N 2.438 122.122 119.950 -0.444 0.000 2.482 177 F HA 0.630 5.156 4.527 -0.000 0.000 0.331 177 F C -0.918 174.450 175.800 -0.719 0.000 1.115 177 F CA -1.268 56.505 58.000 -0.379 0.000 0.955 177 F CB 1.339 40.203 39.000 -0.227 0.000 1.136 177 F HN 0.357 nan 8.300 nan 0.000 0.452 178 Y N 1.045 121.398 120.300 0.089 0.000 2.512 178 Y HA 0.322 4.872 4.550 -0.000 0.000 0.348 178 Y C -0.079 175.841 175.900 0.034 0.000 0.990 178 Y CA -1.384 56.688 58.100 -0.046 0.000 1.033 178 Y CB 1.545 39.943 38.460 -0.104 0.000 1.259 178 Y HN 0.607 nan 8.280 nan 0.000 0.461 179 D N -0.200 120.331 120.400 0.219 0.000 2.403 179 D HA 0.027 4.667 4.640 -0.000 0.000 0.278 179 D C 0.385 176.786 176.300 0.170 0.000 1.230 179 D CA -0.166 53.939 54.000 0.174 0.000 1.062 179 D CB 0.381 41.276 40.800 0.158 0.000 1.119 179 D HN 0.627 nan 8.370 nan 0.000 0.557 180 Q N -1.252 118.614 119.800 0.111 0.000 2.482 180 Q HA -0.037 4.303 4.340 -0.000 0.000 0.209 180 Q C 1.558 177.582 176.000 0.039 0.000 0.961 180 Q CA 0.425 56.269 55.803 0.068 0.000 0.945 180 Q CB -0.015 28.747 28.738 0.040 0.000 1.012 180 Q HN 0.483 nan 8.270 nan 0.000 0.515 181 Q N -0.414 119.422 119.800 0.059 0.000 2.432 181 Q HA -0.034 4.306 4.340 -0.000 0.000 0.205 181 Q C 2.020 177.954 176.000 -0.109 0.000 0.945 181 Q CA 0.393 56.171 55.803 -0.043 0.000 0.924 181 Q CB 0.232 28.891 28.738 -0.132 0.000 1.016 181 Q HN 0.182 nan 8.270 nan 0.000 0.503 182 V N -0.027 119.835 119.914 -0.086 0.000 2.427 182 V HA -0.188 3.931 4.120 -0.000 0.000 0.248 182 V C 1.979 177.886 176.094 -0.311 0.000 1.051 182 V CA 1.254 63.349 62.300 -0.342 0.000 1.048 182 V CB 0.013 31.330 31.823 -0.844 0.000 0.666 182 V HN 0.170 nan 8.190 nan 0.000 0.456 183 V N 0.476 120.307 119.914 -0.140 0.000 2.295 183 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 183 V C 2.344 178.405 176.094 -0.055 0.000 1.049 183 V CA 2.465 64.744 62.300 -0.035 0.000 1.024 183 V CB -0.748 31.100 31.823 0.041 0.000 0.648 183 V HN 0.586 nan 8.190 nan 0.000 0.447 184 D N -0.235 120.124 120.400 -0.069 0.000 2.178 184 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 184 D C 2.025 178.267 176.300 -0.097 0.000 0.980 184 D CA 1.103 55.062 54.000 -0.069 0.000 0.842 184 D CB -0.138 40.622 40.800 -0.066 0.000 0.948 184 D HN 0.404 nan 8.370 nan 0.000 0.472 185 I N 0.954 121.435 120.570 -0.149 0.000 2.202 185 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 185 I C 2.414 178.458 176.117 -0.122 0.000 1.091 185 I CA 0.982 62.182 61.300 -0.166 0.000 1.368 185 I CB -0.134 37.716 38.000 -0.251 0.000 1.058 185 I HN -0.069 nan 8.210 nan 0.000 0.410 186 A N 0.688 123.435 122.820 -0.122 0.000 1.930 186 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 186 A C 2.344 179.912 177.584 -0.026 0.000 1.175 186 A CA 1.301 53.302 52.037 -0.060 0.000 0.627 186 A CB -0.527 18.471 19.000 -0.004 0.000 0.815 186 A HN 0.307 nan 8.150 nan 0.000 0.443 187 R N -0.410 120.074 120.500 -0.026 0.000 2.120 187 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 187 R C 0.824 177.111 176.300 -0.022 0.000 1.123 187 R CA 1.380 57.471 56.100 -0.015 0.000 0.975 187 R CB -0.212 30.080 30.300 -0.014 0.000 0.866 187 R HN 0.407 nan 8.270 nan 0.000 0.446 188 D N 0.076 120.454 120.400 -0.036 0.000 2.348 188 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 188 D C 0.357 176.639 176.300 -0.031 0.000 0.998 188 D CA 0.354 54.333 54.000 -0.035 0.000 0.873 188 D CB 0.174 40.946 40.800 -0.047 0.000 0.925 188 D HN 0.095 nan 8.370 nan 0.000 0.524 189 L N 1.139 122.345 121.223 -0.030 0.000 2.461 189 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 189 L C 0.807 177.669 176.870 -0.013 0.000 1.197 189 L CA 0.171 54.998 54.840 -0.023 0.000 0.836 189 L CB 0.481 42.528 42.059 -0.020 0.000 1.105 189 L HN -0.275 nan 8.230 nan 0.000 0.477 190 K N 2.182 122.575 120.400 -0.011 0.000 2.267 190 K HA 0.503 4.823 4.320 -0.000 0.000 0.246 190 K C -2.388 174.210 176.600 -0.003 0.000 0.954 190 K CA -2.115 54.168 56.287 -0.006 0.000 0.824 190 K CB 1.225 33.721 32.500 -0.007 0.000 1.167 190 K HN 0.199 nan 8.250 nan 0.000 0.431 191 P HA -0.045 nan 4.420 nan 0.000 0.265 191 P C 0.089 177.390 177.300 0.002 0.000 1.187 191 P CA 0.228 63.329 63.100 0.002 0.000 0.766 191 P CB 0.450 32.152 31.700 0.002 0.000 0.820 192 S N 4.201 119.904 115.700 0.005 0.000 2.640 192 S HA 0.274 4.744 4.470 -0.000 0.000 0.262 192 S C -1.468 173.135 174.600 0.005 0.000 1.232 192 S CA -0.801 57.402 58.200 0.006 0.000 0.988 192 S CB -0.366 62.840 63.200 0.009 0.000 1.034 192 S HN 0.263 nan 8.310 nan 0.000 0.569 193 P HA -0.088 nan 4.420 nan 0.000 0.218 193 P C 1.065 178.367 177.300 0.004 0.000 1.149 193 P CA 1.230 64.332 63.100 0.004 0.000 0.817 193 P CB -0.211 31.492 31.700 0.004 0.000 0.785 194 R N -0.092 120.411 120.500 0.005 0.000 2.449 194 R HA 0.289 4.629 4.340 -0.000 0.000 0.262 194 R C 0.922 177.225 176.300 0.004 0.000 1.006 194 R CA 0.554 56.656 56.100 0.003 0.000 1.104 194 R CB -1.242 29.061 30.300 0.004 0.000 1.206 194 R HN 0.084 nan 8.270 nan 0.000 0.538 195 G N 0.562 109.365 108.800 0.004 0.000 2.168 195 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 195 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 195 G C -0.476 174.427 174.900 0.006 0.000 0.997 195 G CA 0.512 45.614 45.100 0.004 0.000 0.708 195 G HN 0.509 nan 8.290 nan 0.000 0.520 196 E N -0.710 119.494 120.200 0.008 0.000 2.277 196 E HA 0.560 4.910 4.350 -0.000 0.000 0.266 196 E C 0.214 176.820 176.600 0.011 0.000 0.901 196 E CA -0.978 55.429 56.400 0.011 0.000 0.782 196 E CB 1.425 31.134 29.700 0.015 0.000 1.228 196 E HN 0.211 nan 8.360 nan 0.000 0.424 197 L N 2.521 123.751 121.223 0.011 0.000 2.295 197 L HA 0.168 4.507 4.340 -0.000 0.000 0.288 197 L C 0.437 177.316 176.870 0.014 0.000 1.079 197 L CA -0.252 54.595 54.840 0.011 0.000 0.830 197 L CB 0.164 42.230 42.059 0.013 0.000 1.200 197 L HN 0.128 nan 8.230 nan 0.000 0.438 198 E N 2.832 123.039 120.200 0.011 0.000 2.227 198 E HA 0.064 4.414 4.350 -0.000 0.000 0.282 198 E C 0.816 177.417 176.600 0.002 0.000 1.015 198 E CA -0.425 55.984 56.400 0.016 0.000 0.823 198 E CB 2.533 32.246 29.700 0.022 0.000 1.081 198 E HN 0.447 nan 8.360 nan 0.000 0.396 199 I N 2.841 123.403 120.570 -0.013 0.000 2.454 199 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 199 I C 1.872 177.975 176.117 -0.022 0.000 1.156 199 I CA 1.601 62.857 61.300 -0.074 0.000 1.433 199 I CB -0.077 37.768 38.000 -0.259 0.000 1.082 199 I HN 0.460 nan 8.210 nan 0.000 0.432 200 T N 0.176 114.748 114.554 0.029 0.000 2.833 200 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 200 T C 1.502 176.229 174.700 0.045 0.000 1.054 200 T CA 1.594 63.731 62.100 0.061 0.000 1.135 200 T CB -0.295 68.617 68.868 0.074 0.000 0.869 200 T HN 0.349 nan 8.240 nan 0.000 0.466 201 D N 0.658 121.072 120.400 0.023 0.000 2.178 201 D HA -0.021 4.618 4.640 -0.000 0.000 0.202 201 D C 2.220 178.525 176.300 0.008 0.000 0.974 201 D CA 0.458 54.465 54.000 0.012 0.000 0.841 201 D CB -0.409 40.391 40.800 -0.001 0.000 0.953 201 D HN 0.204 nan 8.370 nan 0.000 0.478 202 V N 1.606 121.518 119.914 -0.004 0.000 2.295 202 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 202 V C 2.025 178.208 176.094 0.148 0.000 1.049 202 V CA 1.473 63.769 62.300 -0.007 0.000 1.024 202 V CB -0.422 31.329 31.823 -0.119 0.000 0.648 202 V HN 0.173 nan 8.190 nan 0.000 0.447 203 N N 0.006 118.799 118.700 0.155 0.000 2.188 203 N HA -0.146 4.593 4.740 -0.000 0.000 0.184 203 N C 1.964 177.576 175.510 0.170 0.000 1.018 203 N CA 1.210 54.389 53.050 0.213 0.000 0.858 203 N CB -0.438 38.145 38.487 0.161 0.000 0.989 203 N HN 0.426 nan 8.380 nan 0.000 0.426 204 R N 0.791 121.350 120.500 0.097 0.000 2.096 204 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 204 R C 1.994 178.325 176.300 0.051 0.000 1.127 204 R CA 1.253 57.389 56.100 0.060 0.000 0.968 204 R CB -0.138 30.180 30.300 0.031 0.000 0.861 204 R HN 0.180 nan 8.270 nan 0.000 0.440 205 A N -0.008 122.831 122.820 0.032 0.000 1.883 205 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 205 A C 1.899 179.450 177.584 -0.054 0.000 1.186 205 A CA 1.338 53.346 52.037 -0.049 0.000 0.624 205 A CB -0.837 18.086 19.000 -0.129 0.000 0.822 205 A HN 0.458 nan 8.150 nan 0.000 0.444 206 Y N -0.960 119.337 120.300 -0.006 0.000 2.181 206 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 206 Y C 2.284 178.185 175.900 0.001 0.000 1.146 206 Y CA 1.469 59.573 58.100 0.007 0.000 1.164 206 Y CB -0.401 38.083 38.460 0.041 0.000 0.982 206 Y HN 0.351 nan 8.280 nan 0.000 0.515 207 L N 0.575 121.890 121.223 0.153 0.000 2.046 207 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 207 L C 1.929 178.826 176.870 0.044 0.000 1.077 207 L CA 1.866 56.753 54.840 0.078 0.000 0.747 207 L CB -0.650 41.439 42.059 0.049 0.000 0.896 207 L HN 0.195 nan 8.230 nan 0.000 0.432 208 E N -0.613 119.604 120.200 0.028 0.000 2.153 208 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 208 E C 1.848 178.448 176.600 0.000 0.000 0.988 208 E CA 1.112 57.515 56.400 0.005 0.000 0.811 208 E CB -0.055 29.639 29.700 -0.010 0.000 0.746 208 E HN 0.510 nan 8.360 nan 0.000 0.466 209 R N -0.523 119.978 120.500 0.001 0.000 2.334 209 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 209 R C 0.903 177.216 176.300 0.022 0.000 0.917 209 R CA 0.432 56.531 56.100 -0.003 0.000 1.073 209 R CB 0.543 30.824 30.300 -0.032 0.000 1.056 209 R HN 0.152 nan 8.270 nan 0.000 0.506 210 G N 1.607 110.428 108.800 0.034 0.000 2.198 210 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.260 210 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.260 210 G C 0.339 175.271 174.900 0.053 0.000 1.025 210 G CA 0.270 45.391 45.100 0.036 0.000 0.769 210 G HN 0.465 nan 8.290 nan 0.000 0.507 211 Q N -1.514 118.345 119.800 0.098 0.000 2.135 211 Q HA 0.407 4.747 4.340 -0.000 0.000 0.222 211 Q C 0.251 176.335 176.000 0.141 0.000 0.808 211 Q CA -0.446 55.440 55.803 0.138 0.000 1.049 211 Q CB 0.988 29.855 28.738 0.216 0.000 1.168 211 Q HN 0.413 nan 8.270 nan 0.000 0.483 212 L N 1.142 122.419 121.223 0.091 0.000 2.265 212 L HA 0.370 4.710 4.340 -0.000 0.000 0.289 212 L C -0.479 176.365 176.870 -0.043 0.000 1.033 212 L CA -0.053 54.791 54.840 0.007 0.000 0.814 212 L CB 1.700 43.785 42.059 0.042 0.000 1.203 212 L HN -0.145 nan 8.230 nan 0.000 0.423 213 S N 4.697 120.331 115.700 -0.110 0.000 2.422 213 S HA 0.551 5.021 4.470 -0.000 0.000 0.298 213 S C -0.625 173.874 174.600 -0.167 0.000 1.118 213 S CA -0.622 57.504 58.200 -0.123 0.000 1.083 213 S CB 0.415 63.519 63.200 -0.160 0.000 0.971 213 S HN 0.435 nan 8.310 nan 0.000 0.478 214 V N 6.398 126.257 119.914 -0.091 0.000 2.311 214 V HA 0.439 4.558 4.120 -0.000 0.000 0.275 214 V C -0.140 175.922 176.094 -0.054 0.000 1.022 214 V CA -0.698 61.557 62.300 -0.075 0.000 0.830 214 V CB 1.148 33.007 31.823 0.060 0.000 1.012 214 V HN 0.762 nan 8.190 nan 0.000 0.452 215 E N 4.070 124.174 120.200 -0.160 0.000 2.191 215 E HA 0.432 4.782 4.350 -0.000 0.000 0.278 215 E C -0.340 176.319 176.600 0.097 0.000 0.972 215 E CA -0.814 55.559 56.400 -0.045 0.000 0.804 215 E CB 2.298 31.957 29.700 -0.068 0.000 1.110 215 E HN 0.346 nan 8.360 nan 0.000 0.394 216 I N 2.660 123.279 120.570 0.082 0.000 2.618 216 I HA 0.042 4.212 4.170 -0.000 0.000 0.284 216 I C 0.719 176.990 176.117 0.258 0.000 1.146 216 I CA 0.162 61.541 61.300 0.132 0.000 1.425 216 I CB -0.052 37.955 38.000 0.012 0.000 1.383 216 I HN 0.444 nan 8.210 nan 0.000 0.562 217 M N 6.107 125.912 119.600 0.340 0.000 2.055 217 M HA 0.435 4.915 4.480 -0.000 0.000 0.347 217 M C 0.432 177.047 176.300 0.525 0.000 1.123 217 M CA -0.375 55.140 55.300 0.359 0.000 1.035 217 M CB 0.674 33.428 32.600 0.256 0.000 1.484 217 M HN 0.704 nan 8.290 nan 0.000 0.428 218 G N 3.643 112.763 108.800 0.533 0.000 2.636 218 G HA2 0.119 4.078 3.960 -0.000 0.000 0.246 218 G HA3 0.119 4.078 3.960 -0.000 0.000 0.246 218 G C 0.715 175.806 174.900 0.318 0.000 1.216 218 G CA -0.657 44.651 45.100 0.345 0.000 0.854 218 G HN 0.974 nan 8.290 nan 0.000 0.572 219 R N -0.065 120.501 120.500 0.110 0.000 2.241 219 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 219 R C 2.018 178.386 176.300 0.113 0.000 1.101 219 R CA 1.253 57.367 56.100 0.024 0.000 0.995 219 R CB -0.500 29.770 30.300 -0.049 0.000 0.870 219 R HN 0.494 nan 8.270 nan 0.000 0.463 220 G N 0.464 109.314 108.800 0.084 0.000 2.471 220 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 220 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 220 G C 0.006 174.921 174.900 0.025 0.000 1.125 220 G CA 0.119 45.224 45.100 0.009 0.000 0.775 220 G HN 0.283 nan 8.290 nan 0.000 0.548 221 Y N 0.248 120.690 120.300 0.237 0.000 2.301 221 Y HA 0.506 5.055 4.550 -0.000 0.000 0.325 221 Y C 0.608 176.697 175.900 0.314 0.000 1.203 221 Y CA -0.706 57.532 58.100 0.230 0.000 1.255 221 Y CB 1.395 39.974 38.460 0.198 0.000 1.232 221 Y HN 0.099 nan 8.280 nan 0.000 0.501 222 A N 3.109 126.153 122.820 0.372 0.000 2.260 222 A HA 0.368 4.688 4.320 -0.000 0.000 0.308 222 A C -1.723 175.832 177.584 -0.048 0.000 1.254 222 A CA -0.411 51.708 52.037 0.136 0.000 0.874 222 A CB -0.089 18.855 19.000 -0.094 0.000 1.153 222 A HN 0.784 nan 8.150 nan 0.000 0.527 223 W N 5.100 126.087 121.300 -0.523 0.000 2.393 223 W HA 0.627 5.287 4.660 -0.000 0.000 0.315 223 W C -1.856 174.308 176.519 -0.591 0.000 1.009 223 W CA -0.915 55.941 57.345 -0.814 0.000 1.313 223 W CB 0.709 29.399 29.460 -1.283 0.000 1.269 223 W HN 0.544 nan 8.180 nan 0.000 0.420 224 L N 5.501 126.187 121.223 -0.896 0.000 2.333 224 L HA 0.525 4.865 4.340 -0.000 0.000 0.269 224 L C -0.489 175.877 176.870 -0.841 0.000 1.010 224 L CA -1.034 53.317 54.840 -0.816 0.000 0.818 224 L CB 1.980 43.709 42.059 -0.549 0.000 1.306 224 L HN 0.259 nan 8.230 nan 0.000 0.430 225 D N 0.195 120.205 120.400 -0.649 0.000 2.549 225 D HA 0.119 4.758 4.640 -0.000 0.000 0.251 225 D C 0.300 176.451 176.300 -0.249 0.000 1.153 225 D CA -0.331 53.417 54.000 -0.419 0.000 0.861 225 D CB 2.071 42.617 40.800 -0.424 0.000 1.207 225 D HN 0.592 nan 8.370 nan 0.000 0.543 226 T N 0.850 115.300 114.554 -0.174 0.000 3.473 226 T HA 0.226 4.576 4.350 -0.000 0.000 0.247 226 T C 1.433 176.081 174.700 -0.086 0.000 1.010 226 T CA 0.136 62.164 62.100 -0.120 0.000 0.940 226 T CB -0.405 68.409 68.868 -0.090 0.000 1.068 226 T HN 0.337 nan 8.240 nan 0.000 0.604 227 G N 1.356 110.099 108.800 -0.096 0.000 2.598 227 G HA2 0.198 4.158 3.960 -0.000 0.000 0.215 227 G HA3 0.198 4.158 3.960 -0.000 0.000 0.215 227 G C 0.714 175.535 174.900 -0.131 0.000 1.131 227 G CA 0.685 45.732 45.100 -0.089 0.000 0.785 227 G HN 0.786 nan 8.290 nan 0.000 0.539 228 T N -4.715 109.756 114.554 -0.139 0.000 2.907 228 T HA 0.417 4.767 4.350 -0.000 0.000 0.290 228 T C 0.903 175.518 174.700 -0.142 0.000 1.066 228 T CA -0.717 61.266 62.100 -0.195 0.000 1.012 228 T CB 1.588 70.374 68.868 -0.137 0.000 1.184 228 T HN 0.059 nan 8.240 nan 0.000 0.522 229 H N 0.658 119.714 119.070 -0.024 0.000 2.319 229 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 229 H C 1.494 176.806 175.328 -0.026 0.000 1.092 229 H CA 1.948 57.985 56.048 -0.018 0.000 1.302 229 H CB -0.239 29.518 29.762 -0.010 0.000 1.373 229 H HN 0.648 nan 8.280 nan 0.000 0.497 230 D N 0.223 120.676 120.400 0.088 0.000 2.117 230 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 230 D C 2.374 178.669 176.300 -0.008 0.000 0.982 230 D CA 1.618 55.638 54.000 0.033 0.000 0.828 230 D CB -0.262 40.546 40.800 0.013 0.000 0.967 230 D HN 0.402 nan 8.370 nan 0.000 0.464 231 S N 0.366 116.042 115.700 -0.039 0.000 2.406 231 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 231 S C 2.011 176.560 174.600 -0.084 0.000 1.020 231 S CA 0.394 58.545 58.200 -0.081 0.000 0.965 231 S CB -0.350 62.781 63.200 -0.116 0.000 0.798 231 S HN 0.176 nan 8.310 nan 0.000 0.488 232 L N 0.928 122.121 121.223 -0.051 0.000 2.056 232 L HA 0.167 4.507 4.340 -0.000 0.000 0.207 232 L C 2.227 179.084 176.870 -0.022 0.000 1.078 232 L CA 1.500 56.315 54.840 -0.040 0.000 0.749 232 L CB -0.958 41.101 42.059 0.000 0.000 0.901 232 L HN 0.407 nan 8.230 nan 0.000 0.433 233 L N -0.096 121.128 121.223 0.001 0.000 2.017 233 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 233 L C 2.399 179.264 176.870 -0.008 0.000 1.073 233 L CA 1.887 56.731 54.840 0.006 0.000 0.745 233 L CB -0.853 41.215 42.059 0.015 0.000 0.894 233 L HN 0.417 nan 8.230 nan 0.000 0.432 234 E N -0.510 119.677 120.200 -0.022 0.000 2.085 234 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 234 E C 2.122 178.705 176.600 -0.028 0.000 0.994 234 E CA 1.237 57.622 56.400 -0.025 0.000 0.801 234 E CB -0.310 29.363 29.700 -0.045 0.000 0.743 234 E HN 0.672 nan 8.360 nan 0.000 0.453 235 A N 1.024 123.796 122.820 -0.078 0.000 1.930 235 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 235 A C 2.403 179.967 177.584 -0.033 0.000 1.175 235 A CA 1.542 53.516 52.037 -0.105 0.000 0.627 235 A CB -0.939 17.946 19.000 -0.192 0.000 0.815 235 A HN 0.359 nan 8.150 nan 0.000 0.443 236 G N -0.660 108.129 108.800 -0.019 0.000 2.418 236 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 236 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 236 G C 1.594 176.460 174.900 -0.056 0.000 1.158 236 G CA 1.014 46.129 45.100 0.024 0.000 0.771 236 G HN 0.636 nan 8.290 nan 0.000 0.545 237 Q N -0.899 118.876 119.800 -0.042 0.000 2.119 237 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 237 Q C 2.196 178.141 176.000 -0.091 0.000 0.972 237 Q CA 1.000 56.749 55.803 -0.089 0.000 0.847 237 Q CB -0.263 28.455 28.738 -0.033 0.000 0.903 237 Q HN 0.509 nan 8.270 nan 0.000 0.433 238 F N 1.217 121.070 119.950 -0.161 0.000 2.102 238 F HA -0.251 4.275 4.527 -0.000 0.000 0.298 238 F C 1.869 177.546 175.800 -0.205 0.000 1.105 238 F CA 1.144 59.050 58.000 -0.157 0.000 1.239 238 F CB 0.012 38.931 39.000 -0.134 0.000 0.991 238 F HN 0.005 nan 8.300 nan 0.000 0.474 239 I N 0.494 121.055 120.570 -0.015 0.000 2.252 239 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 239 I C 2.727 178.656 176.117 -0.313 0.000 1.102 239 I CA 1.421 62.652 61.300 -0.114 0.000 1.385 239 I CB -2.169 35.871 38.000 0.066 0.000 1.064 239 I HN 0.226 nan 8.210 nan 0.000 0.414 240 A N 0.450 122.918 122.820 -0.586 0.000 1.902 240 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 240 A C 2.464 179.774 177.584 -0.456 0.000 1.181 240 A CA 2.435 53.900 52.037 -0.953 0.000 0.623 240 A CB -1.084 17.223 19.000 -1.155 0.000 0.818 240 A HN 0.388 nan 8.150 nan 0.000 0.443 241 T N 0.446 114.783 114.554 -0.362 0.000 2.708 241 T HA -0.096 4.253 4.350 -0.000 0.000 0.266 241 T C 1.836 176.376 174.700 -0.267 0.000 1.037 241 T CA 1.558 63.491 62.100 -0.279 0.000 1.146 241 T CB -0.417 68.284 68.868 -0.278 0.000 0.865 241 T HN 0.369 nan 8.240 nan 0.000 0.435 242 L N 0.641 121.658 121.223 -0.343 0.000 2.017 242 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 242 L C 2.756 179.522 176.870 -0.173 0.000 1.073 242 L CA 1.521 56.193 54.840 -0.279 0.000 0.745 242 L CB -0.571 41.255 42.059 -0.388 0.000 0.894 242 L HN 0.336 nan 8.230 nan 0.000 0.432 243 E N -0.090 120.011 120.200 -0.166 0.000 2.077 243 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 243 E C 1.904 178.465 176.600 -0.067 0.000 0.989 243 E CA 1.054 57.400 56.400 -0.090 0.000 0.800 243 E CB -0.142 29.544 29.700 -0.023 0.000 0.746 243 E HN 0.475 nan 8.360 nan 0.000 0.452 244 N N 0.765 119.418 118.700 -0.080 0.000 2.331 244 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 244 N C 1.809 177.292 175.510 -0.046 0.000 1.019 244 N CA 0.695 53.717 53.050 -0.048 0.000 0.881 244 N CB -0.094 38.358 38.487 -0.057 0.000 0.972 244 N HN 0.007 nan 8.380 nan 0.000 0.435 245 R N 1.498 121.958 120.500 -0.068 0.000 2.073 245 R HA 0.056 4.396 4.340 -0.000 0.000 0.229 245 R C 1.789 178.073 176.300 -0.026 0.000 1.120 245 R CA 1.499 57.568 56.100 -0.051 0.000 0.967 245 R CB -0.235 30.023 30.300 -0.070 0.000 0.862 245 R HN 0.295 nan 8.270 nan 0.000 0.436 246 Q N -1.525 118.260 119.800 -0.024 0.000 2.339 246 Q HA 0.211 4.551 4.340 -0.000 0.000 0.205 246 Q C 0.697 176.710 176.000 0.022 0.000 0.925 246 Q CA 0.601 56.408 55.803 0.006 0.000 0.898 246 Q CB 0.579 29.329 28.738 0.020 0.000 1.013 246 Q HN 0.571 nan 8.270 nan 0.000 0.504 247 G N 1.256 110.060 108.800 0.006 0.000 2.179 247 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 247 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 247 G C -0.148 174.783 174.900 0.053 0.000 1.010 247 G CA 0.277 45.393 45.100 0.026 0.000 0.736 247 G HN 0.188 nan 8.290 nan 0.000 0.513 248 L N -1.185 120.039 121.223 0.000 0.000 2.323 248 L HA 0.694 5.034 4.340 -0.000 0.000 0.265 248 L C 0.295 177.024 176.870 -0.236 0.000 1.012 248 L CA -1.167 53.669 54.840 -0.005 0.000 0.820 248 L CB 1.915 44.043 42.059 0.115 0.000 1.334 248 L HN -0.042 nan 8.230 nan 0.000 0.427 249 K N 0.827 120.980 120.400 -0.411 0.000 2.259 249 K HA 0.549 4.869 4.320 -0.000 0.000 0.252 249 K C -1.225 175.355 176.600 -0.033 0.000 0.936 249 K CA -0.806 55.280 56.287 -0.335 0.000 0.810 249 K CB 2.690 34.801 32.500 -0.648 0.000 1.143 249 K HN 0.194 nan 8.250 nan 0.000 0.427 250 V N 1.994 121.936 119.914 0.045 0.000 2.498 250 V HA 0.225 4.345 4.120 -0.000 0.000 0.279 250 V C 0.633 176.787 176.094 0.099 0.000 1.048 250 V CA 0.089 62.484 62.300 0.158 0.000 0.967 250 V CB 0.676 32.595 31.823 0.160 0.000 0.988 250 V HN 1.055 nan 8.190 nan 0.000 0.473 251 A N 3.215 126.108 122.820 0.122 0.000 2.846 251 A HA -0.205 4.115 4.320 -0.000 0.000 0.287 251 A C 0.556 178.110 177.584 -0.051 0.000 1.469 251 A CA 0.535 52.567 52.037 -0.007 0.000 0.757 251 A CB -1.948 16.926 19.000 -0.211 0.000 1.033 251 A HN 1.463 nan 8.150 nan 0.000 0.516 252 C N 0.473 119.775 119.300 0.004 0.000 2.322 252 C HA 0.585 5.044 4.460 -0.000 0.000 0.343 252 C C -0.094 174.776 174.990 -0.201 0.000 1.190 252 C CA -1.234 57.781 59.018 -0.005 0.000 1.704 252 C CB -0.269 27.476 27.740 0.008 0.000 2.293 252 C HN 0.503 nan 8.230 nan 0.000 0.523 253 P HA -0.103 nan 4.420 nan 0.000 0.216 253 P C 1.152 178.060 177.300 -0.653 0.000 1.150 253 P CA 1.510 64.197 63.100 -0.688 0.000 0.837 253 P CB 0.206 31.085 31.700 -1.369 0.000 0.786 254 E N -0.172 119.607 120.200 -0.700 0.000 2.077 254 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 254 E C 2.058 178.558 176.600 -0.166 0.000 0.989 254 E CA 1.223 57.384 56.400 -0.399 0.000 0.800 254 E CB -0.716 28.862 29.700 -0.203 0.000 0.746 254 E HN 0.424 nan 8.360 nan 0.000 0.452 255 E N 0.611 120.723 120.200 -0.146 0.000 2.051 255 E HA -0.209 4.140 4.350 -0.000 0.000 0.192 255 E C 2.023 178.600 176.600 -0.038 0.000 0.991 255 E CA 1.230 57.594 56.400 -0.060 0.000 0.799 255 E CB -0.131 29.554 29.700 -0.025 0.000 0.748 255 E HN 0.250 nan 8.360 nan 0.000 0.449 256 I N 0.994 121.505 120.570 -0.097 0.000 2.226 256 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 256 I C 2.616 178.596 176.117 -0.230 0.000 1.100 256 I CA 0.979 62.193 61.300 -0.144 0.000 1.374 256 I CB -0.347 37.576 38.000 -0.129 0.000 1.057 256 I HN 0.218 nan 8.210 nan 0.000 0.413 257 A N 0.239 122.983 122.820 -0.126 0.000 1.908 257 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 257 A C 2.312 179.876 177.584 -0.033 0.000 1.181 257 A CA 1.754 53.775 52.037 -0.028 0.000 0.627 257 A CB -1.063 18.064 19.000 0.212 0.000 0.818 257 A HN 0.526 nan 8.150 nan 0.000 0.445 258 Y N 0.637 120.874 120.300 -0.105 0.000 2.145 258 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 258 Y C 2.463 178.281 175.900 -0.137 0.000 1.145 258 Y CA 1.975 60.023 58.100 -0.087 0.000 1.148 258 Y CB -0.356 38.054 38.460 -0.085 0.000 0.981 258 Y HN 0.269 nan 8.280 nan 0.000 0.507 259 R N -0.252 120.113 120.500 -0.226 0.000 2.115 259 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 259 R C 1.945 178.027 176.300 -0.363 0.000 1.111 259 R CA 1.474 57.385 56.100 -0.314 0.000 0.976 259 R CB -0.249 29.944 30.300 -0.179 0.000 0.870 259 R HN 0.495 nan 8.270 nan 0.000 0.445 260 Q N 0.572 120.077 119.800 -0.492 0.000 2.444 260 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 260 Q C 0.052 175.746 176.000 -0.510 0.000 0.948 260 Q CA 0.321 55.708 55.803 -0.692 0.000 0.946 260 Q CB 0.388 28.219 28.738 -1.511 0.000 1.027 260 Q HN 0.253 nan 8.270 nan 0.000 0.513 261 K N -1.308 118.902 120.400 -0.316 0.000 3.281 261 K HA -0.166 4.153 4.320 -0.000 0.000 0.295 261 K C 0.091 176.793 176.600 0.171 0.000 1.233 261 K CA 0.598 56.831 56.287 -0.090 0.000 0.866 261 K CB -1.328 31.137 32.500 -0.059 0.000 1.265 261 K HN 0.282 nan 8.250 nan 0.000 0.482 262 W N 0.730 122.046 121.300 0.026 0.000 2.584 262 W HA 0.210 4.870 4.660 -0.000 0.000 0.264 262 W C 1.298 177.867 176.519 0.084 0.000 1.264 262 W CA 0.535 57.914 57.345 0.056 0.000 1.306 262 W CB -0.186 29.315 29.460 0.068 0.000 1.110 262 W HN 0.271 nan 8.180 nan 0.000 0.606 263 I N -1.120 119.635 120.570 0.307 0.000 2.969 263 I HA 0.465 4.635 4.170 -0.000 0.000 0.307 263 I C -0.385 175.881 176.117 0.248 0.000 1.149 263 I CA -1.217 60.235 61.300 0.253 0.000 1.008 263 I CB 2.119 40.276 38.000 0.263 0.000 1.232 263 I HN -0.283 nan 8.210 nan 0.000 0.435 264 D N 3.641 124.172 120.400 0.218 0.000 2.529 264 D HA 0.523 5.163 4.640 -0.000 0.000 0.273 264 D C 1.036 177.494 176.300 0.262 0.000 1.197 264 D CA -0.283 53.860 54.000 0.239 0.000 1.070 264 D CB 1.221 42.108 40.800 0.144 0.000 1.134 264 D HN 0.687 nan 8.370 nan 0.000 0.590 265 A N -0.118 122.854 122.820 0.254 0.000 1.933 265 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 265 A C 2.150 179.730 177.584 -0.008 0.000 1.175 265 A CA 2.474 54.553 52.037 0.069 0.000 0.628 265 A CB -1.387 17.672 19.000 0.097 0.000 0.814 265 A HN 0.683 nan 8.150 nan 0.000 0.444 266 A N -0.672 122.172 122.820 0.040 0.000 1.902 266 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 266 A C 2.129 179.731 177.584 0.030 0.000 1.181 266 A CA 1.688 53.742 52.037 0.027 0.000 0.623 266 A CB -0.567 18.457 19.000 0.040 0.000 0.818 266 A HN 0.653 nan 8.150 nan 0.000 0.443 267 Q N -1.149 118.685 119.800 0.057 0.000 2.079 267 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 267 Q C 2.083 178.117 176.000 0.056 0.000 0.974 267 Q CA 1.354 57.202 55.803 0.075 0.000 0.840 267 Q CB -0.324 28.483 28.738 0.115 0.000 0.898 267 Q HN 0.561 nan 8.270 nan 0.000 0.430 268 L N 1.265 122.488 121.223 0.000 0.000 2.046 268 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 268 L C 2.137 178.962 176.870 -0.075 0.000 1.077 268 L CA 1.901 56.689 54.840 -0.086 0.000 0.747 268 L CB -0.414 41.442 42.059 -0.338 0.000 0.896 268 L HN 0.199 nan 8.230 nan 0.000 0.432 269 E N -0.524 119.631 120.200 -0.075 0.000 2.077 269 E HA -0.317 4.033 4.350 -0.000 0.000 0.193 269 E C 2.260 178.858 176.600 -0.003 0.000 0.989 269 E CA 1.505 57.875 56.400 -0.050 0.000 0.800 269 E CB -0.116 29.559 29.700 -0.041 0.000 0.746 269 E HN 0.501 nan 8.360 nan 0.000 0.452 270 K N 0.311 120.722 120.400 0.019 0.000 2.097 270 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 270 K C 2.093 178.732 176.600 0.066 0.000 1.049 270 K CA 1.151 57.462 56.287 0.041 0.000 0.933 270 K CB -0.063 32.465 32.500 0.047 0.000 0.717 270 K HN 0.168 nan 8.250 nan 0.000 0.442 271 L N 0.135 121.412 121.223 0.089 0.000 2.141 271 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 271 L C 2.518 179.470 176.870 0.136 0.000 1.094 271 L CA 0.950 55.878 54.840 0.146 0.000 0.763 271 L CB -0.411 41.773 42.059 0.209 0.000 0.908 271 L HN 0.275 nan 8.230 nan 0.000 0.437 272 A N 0.018 122.887 122.820 0.080 0.000 1.970 272 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 272 A C 2.570 180.198 177.584 0.073 0.000 1.170 272 A CA 1.237 53.318 52.037 0.073 0.000 0.645 272 A CB -0.485 18.520 19.000 0.007 0.000 0.816 272 A HN 0.344 nan 8.150 nan 0.000 0.447 273 A N 0.924 123.777 122.820 0.055 0.000 1.873 273 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 273 A C 0.381 177.997 177.584 0.054 0.000 1.193 273 A CA 1.917 53.981 52.037 0.045 0.000 0.629 273 A CB -1.716 17.305 19.000 0.035 0.000 0.826 273 A HN 0.508 nan 8.150 nan 0.000 0.447 274 P HA -0.034 nan 4.420 nan 0.000 0.230 274 P C 0.736 178.078 177.300 0.071 0.000 1.158 274 P CA 0.835 63.971 63.100 0.061 0.000 0.769 274 P CB -0.070 31.670 31.700 0.066 0.000 0.807 275 L N -1.526 119.754 121.223 0.096 0.000 2.728 275 L HA 0.325 4.665 4.340 -0.000 0.000 0.238 275 L C 2.276 179.207 176.870 0.102 0.000 1.143 275 L CA -0.005 54.903 54.840 0.114 0.000 0.937 275 L CB -0.395 41.782 42.059 0.196 0.000 1.225 275 L HN -0.168 nan 8.230 nan 0.000 0.507 276 A N 0.315 123.179 122.820 0.074 0.000 1.978 276 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 276 A C 2.089 179.703 177.584 0.051 0.000 1.170 276 A CA 1.422 53.494 52.037 0.057 0.000 0.636 276 A CB -0.156 18.868 19.000 0.039 0.000 0.810 276 A HN 0.182 nan 8.150 nan 0.000 0.448 277 K N 0.270 120.698 120.400 0.046 0.000 2.487 277 K HA -0.003 4.317 4.320 -0.000 0.000 0.192 277 K C -0.029 176.596 176.600 0.041 0.000 1.027 277 K CA 0.483 56.792 56.287 0.036 0.000 1.054 277 K CB -0.427 32.089 32.500 0.027 0.000 0.824 277 K HN 0.858 nan 8.250 nan 0.000 0.510 278 N N -2.579 116.157 118.700 0.059 0.000 2.453 278 N HA 0.200 4.939 4.740 -0.000 0.000 0.290 278 N C 1.059 176.625 175.510 0.095 0.000 1.250 278 N CA -0.384 52.706 53.050 0.066 0.000 0.815 278 N CB 0.556 39.077 38.487 0.058 0.000 1.381 278 N HN -0.177 nan 8.380 nan 0.000 0.510 279 G N -0.676 108.178 108.800 0.090 0.000 2.450 279 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 279 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 279 G C 0.883 175.877 174.900 0.158 0.000 1.130 279 G CA 0.761 45.921 45.100 0.099 0.000 0.760 279 G HN 0.631 nan 8.290 nan 0.000 0.557 280 Y N 1.519 121.853 120.300 0.056 0.000 2.184 280 Y HA 0.056 4.606 4.550 -0.000 0.000 0.290 280 Y C 2.835 178.822 175.900 0.145 0.000 1.129 280 Y CA 1.592 59.753 58.100 0.102 0.000 1.144 280 Y CB -0.339 38.160 38.460 0.066 0.000 0.995 280 Y HN 0.139 nan 8.280 nan 0.000 0.513 281 G N -0.598 108.382 108.800 0.300 0.000 2.418 281 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.217 281 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.217 281 G C 1.399 176.352 174.900 0.088 0.000 1.158 281 G CA 0.926 46.134 45.100 0.181 0.000 0.771 281 G HN 0.454 nan 8.290 nan 0.000 0.545 282 Q N -1.037 118.819 119.800 0.093 0.000 2.135 282 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 282 Q C 2.193 178.224 176.000 0.052 0.000 0.981 282 Q CA 1.542 57.382 55.803 0.061 0.000 0.856 282 Q CB -0.319 28.459 28.738 0.067 0.000 0.902 282 Q HN 0.663 nan 8.270 nan 0.000 0.425 283 Y N 0.850 121.112 120.300 -0.063 0.000 2.163 283 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 283 Y C 1.672 177.488 175.900 -0.140 0.000 1.136 283 Y CA 1.271 59.305 58.100 -0.110 0.000 1.147 283 Y CB -0.168 38.192 38.460 -0.167 0.000 0.987 283 Y HN 0.005 nan 8.280 nan 0.000 0.509 284 L N 0.141 121.210 121.223 -0.256 0.000 2.131 284 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 284 L C 2.423 179.121 176.870 -0.286 0.000 1.092 284 L CA 1.587 56.226 54.840 -0.335 0.000 0.759 284 L CB -0.530 41.432 42.059 -0.162 0.000 0.903 284 L HN 0.193 nan 8.230 nan 0.000 0.435 285 K N -0.054 120.241 120.400 -0.174 0.000 2.057 285 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 285 K C 2.235 178.736 176.600 -0.165 0.000 1.050 285 K CA 1.123 57.325 56.287 -0.141 0.000 0.935 285 K CB -0.130 32.328 32.500 -0.069 0.000 0.715 285 K HN 0.146 nan 8.250 nan 0.000 0.439 286 R N 1.401 121.798 120.500 -0.172 0.000 2.105 286 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 286 R C 2.067 178.245 176.300 -0.203 0.000 1.135 286 R CA 1.016 57.024 56.100 -0.154 0.000 0.967 286 R CB -0.237 29.996 30.300 -0.112 0.000 0.861 286 R HN 0.132 nan 8.270 nan 0.000 0.442 287 L N 0.606 121.633 121.223 -0.327 0.000 2.349 287 L HA -0.179 4.160 4.340 -0.000 0.000 0.220 287 L C 2.026 178.776 176.870 -0.200 0.000 1.130 287 L CA 0.862 55.523 54.840 -0.298 0.000 0.791 287 L CB -0.303 41.507 42.059 -0.414 0.000 0.918 287 L HN 0.339 nan 8.230 nan 0.000 0.444 288 L N -0.591 120.501 121.223 -0.218 0.000 2.291 288 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 288 L C 1.889 178.717 176.870 -0.069 0.000 1.120 288 L CA 1.433 56.176 54.840 -0.162 0.000 0.799 288 L CB -0.342 41.615 42.059 -0.169 0.000 0.925 288 L HN 0.406 nan 8.230 nan 0.000 0.446 289 T N -5.173 109.338 114.554 -0.072 0.000 3.170 289 T HA 0.187 4.537 4.350 -0.000 0.000 0.288 289 T C 0.165 174.838 174.700 -0.044 0.000 0.992 289 T CA -0.416 61.658 62.100 -0.043 0.000 0.909 289 T CB 0.346 69.191 68.868 -0.038 0.000 1.133 289 T HN 0.111 nan 8.240 nan 0.000 0.530 290 E N 1.239 121.403 120.200 -0.061 0.000 2.210 290 E HA 0.431 4.781 4.350 -0.000 0.000 0.266 290 E C -1.183 175.360 176.600 -0.095 0.000 0.883 290 E CA -0.518 55.841 56.400 -0.068 0.000 0.761 290 E CB 1.737 31.395 29.700 -0.071 0.000 1.156 290 E HN 0.086 nan 8.360 nan 0.000 0.412 291 T N 2.820 117.293 114.554 -0.135 0.000 2.771 291 T HA 0.324 4.674 4.350 -0.000 0.000 0.291 291 T C -0.626 173.841 174.700 -0.389 0.000 0.954 291 T CA -0.390 61.556 62.100 -0.258 0.000 1.045 291 T CB 0.889 69.573 68.868 -0.307 0.000 0.917 291 T HN 0.184 nan 8.240 nan 0.000 0.484 292 V N 5.038 124.726 119.914 -0.376 0.000 2.444 292 V HA 0.411 4.530 4.120 -0.000 0.000 0.294 292 V C -0.757 175.146 176.094 -0.319 0.000 1.022 292 V CA -1.023 61.108 62.300 -0.281 0.000 0.850 292 V CB 0.655 32.425 31.823 -0.088 0.000 0.992 292 V HN 0.813 nan 8.190 nan 0.000 0.426 293 Y N 0.000 120.316 120.300 0.026 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.113 58.100 0.022 0.000 1.940 293 Y CB 0.000 38.470 38.460 0.017 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758