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 3fkw_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSRTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.450 177.584 -0.223 0.000 1.274 4 A CA 0.000 51.903 52.037 -0.223 0.000 0.836 4 A CB 0.000 18.843 19.000 -0.261 0.000 0.831 5 P HA 0.082 nan 4.420 nan 0.000 0.265 5 P C 0.788 177.978 177.300 -0.184 0.000 1.187 5 P CA -0.086 62.873 63.100 -0.236 0.000 0.766 5 P CB 0.627 32.135 31.700 -0.321 0.000 0.820 6 Q N 2.910 122.644 119.800 -0.110 0.000 2.152 6 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 6 Q C 1.728 177.677 176.000 -0.085 0.000 0.985 6 Q CA 2.230 57.990 55.803 -0.071 0.000 0.863 6 Q CB -0.070 28.642 28.738 -0.044 0.000 0.904 6 Q HN 0.683 nan 8.270 nan 0.000 0.422 7 Q N -0.709 119.014 119.800 -0.127 0.000 2.124 7 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 7 Q C 2.112 178.012 176.000 -0.167 0.000 0.977 7 Q CA 1.624 57.344 55.803 -0.138 0.000 0.850 7 Q CB -0.415 28.227 28.738 -0.159 0.000 0.901 7 Q HN 0.440 nan 8.270 nan 0.000 0.429 8 I N 1.366 121.794 120.570 -0.237 0.000 2.233 8 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 8 I C 1.896 177.967 176.117 -0.077 0.000 1.093 8 I CA 0.805 61.984 61.300 -0.203 0.000 1.380 8 I CB -0.467 37.362 38.000 -0.285 0.000 1.067 8 I HN 0.228 nan 8.210 nan 0.000 0.413 9 N N 0.952 119.654 118.700 0.003 0.000 2.104 9 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 9 N C 1.513 177.061 175.510 0.064 0.000 1.024 9 N CA 1.777 54.888 53.050 0.100 0.000 0.853 9 N CB -0.536 38.001 38.487 0.084 0.000 1.008 9 N HN 0.382 nan 8.380 nan 0.000 0.424 10 D N 0.358 120.773 120.400 0.024 0.000 2.084 10 D HA -0.092 4.548 4.640 -0.000 0.000 0.194 10 D C 1.868 178.187 176.300 0.032 0.000 0.990 10 D CA 0.564 54.590 54.000 0.044 0.000 0.826 10 D CB -0.194 40.611 40.800 0.009 0.000 0.971 10 D HN 0.115 nan 8.370 nan 0.000 0.453 11 I N -0.230 120.327 120.570 -0.021 0.000 2.353 11 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 11 I C 2.114 178.211 176.117 -0.033 0.000 1.119 11 I CA 0.744 62.025 61.300 -0.032 0.000 1.417 11 I CB -0.206 37.762 38.000 -0.054 0.000 1.078 11 I HN -0.038 nan 8.210 nan 0.000 0.421 12 V N 0.268 120.132 119.914 -0.083 0.000 2.295 12 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 12 V C 2.563 178.711 176.094 0.090 0.000 1.049 12 V CA 2.343 64.569 62.300 -0.124 0.000 1.024 12 V CB -1.110 30.378 31.823 -0.558 0.000 0.648 12 V HN 0.547 nan 8.190 nan 0.000 0.447 13 H N 0.601 119.696 119.070 0.042 0.000 2.389 13 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 13 H C 2.377 177.756 175.328 0.085 0.000 1.081 13 H CA 1.756 57.888 56.048 0.140 0.000 1.345 13 H CB -0.079 29.754 29.762 0.117 0.000 1.393 13 H HN 0.265 nan 8.280 nan 0.000 0.520 14 R N -1.095 119.391 120.500 -0.024 0.000 2.236 14 R HA 0.007 4.347 4.340 -0.000 0.000 0.208 14 R C 1.463 177.720 176.300 -0.072 0.000 1.036 14 R CA 1.378 57.415 56.100 -0.105 0.000 1.001 14 R CB 0.344 30.611 30.300 -0.054 0.000 0.896 14 R HN 0.336 nan 8.270 nan 0.000 0.464 15 T N 0.361 114.892 114.554 -0.038 0.000 3.044 15 T HA 0.124 4.474 4.350 -0.000 0.000 0.237 15 T C 1.726 176.379 174.700 -0.077 0.000 1.001 15 T CA 0.262 62.341 62.100 -0.035 0.000 1.160 15 T CB 0.226 69.092 68.868 -0.004 0.000 0.889 15 T HN -0.038 nan 8.240 nan 0.000 0.442 16 I N 2.109 122.619 120.570 -0.099 0.000 2.333 16 I HA -0.049 4.121 4.170 -0.000 0.000 0.246 16 I C 2.565 178.437 176.117 -0.408 0.000 1.106 16 I CA 1.290 62.420 61.300 -0.283 0.000 1.411 16 I CB -1.726 36.021 38.000 -0.422 0.000 1.082 16 I HN 0.256 nan 8.210 nan 0.000 0.420 17 T N 2.301 116.748 114.554 -0.178 0.000 2.684 17 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 17 T C -0.314 174.290 174.700 -0.161 0.000 1.036 17 T CA 1.616 63.648 62.100 -0.113 0.000 1.148 17 T CB -1.401 67.628 68.868 0.268 0.000 0.863 17 T HN 0.239 nan 8.240 nan 0.000 0.436 18 P HA 0.035 nan 4.420 nan 0.000 0.219 18 P C 1.624 178.841 177.300 -0.138 0.000 1.150 18 P CA 0.379 63.408 63.100 -0.117 0.000 0.814 18 P CB -0.178 31.465 31.700 -0.094 0.000 0.787 19 L N -0.435 120.685 121.223 -0.172 0.000 2.012 19 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 19 L C 2.136 178.848 176.870 -0.265 0.000 1.073 19 L CA 1.876 56.602 54.840 -0.190 0.000 0.748 19 L CB -1.171 40.773 42.059 -0.192 0.000 0.891 19 L HN -0.136 nan 8.230 nan 0.000 0.431 20 I N -0.536 119.835 120.570 -0.331 0.000 2.226 20 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 20 I C 2.429 178.425 176.117 -0.203 0.000 1.100 20 I CA 1.075 62.179 61.300 -0.327 0.000 1.374 20 I CB -0.456 37.302 38.000 -0.403 0.000 1.057 20 I HN 0.315 nan 8.210 nan 0.000 0.413 21 E N 0.614 120.724 120.200 -0.151 0.000 2.077 21 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 21 E C 2.175 178.724 176.600 -0.086 0.000 0.989 21 E CA 1.264 57.608 56.400 -0.093 0.000 0.800 21 E CB -0.340 29.322 29.700 -0.064 0.000 0.746 21 E HN 0.594 nan 8.360 nan 0.000 0.452 22 Q N 0.056 119.799 119.800 -0.095 0.000 2.119 22 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 22 Q C 1.798 177.757 176.000 -0.069 0.000 0.972 22 Q CA 0.977 56.738 55.803 -0.069 0.000 0.847 22 Q CB 0.141 28.843 28.738 -0.060 0.000 0.903 22 Q HN 0.157 nan 8.270 nan 0.000 0.433 23 Q N -0.051 119.678 119.800 -0.118 0.000 2.282 23 Q HA 0.101 4.440 4.340 -0.000 0.000 0.206 23 Q C -0.397 175.542 176.000 -0.101 0.000 0.878 23 Q CA 0.103 55.837 55.803 -0.114 0.000 0.944 23 Q CB 0.802 29.389 28.738 -0.251 0.000 1.100 23 Q HN 0.260 nan 8.270 nan 0.000 0.509 24 K N 0.951 121.291 120.400 -0.100 0.000 3.148 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.267 24 K C -0.508 176.042 176.600 -0.084 0.000 0.996 24 K CA 0.293 56.534 56.287 -0.077 0.000 0.737 24 K CB -1.900 30.573 32.500 -0.044 0.000 1.308 24 K HN 0.275 nan 8.250 nan 0.000 0.470 25 I N 1.049 121.539 120.570 -0.132 0.000 2.452 25 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 25 I C -0.946 175.138 176.117 -0.054 0.000 1.079 25 I CA -2.004 59.230 61.300 -0.110 0.000 1.387 25 I CB 0.788 38.656 38.000 -0.221 0.000 1.404 25 I HN 0.016 nan 8.210 nan 0.000 0.522 26 P HA 0.004 nan 4.420 nan 0.000 0.217 26 P C 0.375 177.718 177.300 0.071 0.000 1.151 26 P CA 0.497 63.577 63.100 -0.034 0.000 0.828 26 P CB 0.320 31.913 31.700 -0.179 0.000 0.788 27 G N -1.299 107.602 108.800 0.169 0.000 2.733 27 G HA2 0.667 4.627 3.960 -0.000 0.000 0.297 27 G HA3 0.667 4.627 3.960 -0.000 0.000 0.297 27 G C -1.973 173.169 174.900 0.404 0.000 1.422 27 G CA -0.367 44.911 45.100 0.297 0.000 0.942 27 G HN 0.031 nan 8.290 nan 0.000 0.510 28 M N 1.169 121.049 119.600 0.467 0.000 2.413 28 M HA 0.713 5.193 4.480 -0.000 0.000 0.287 28 M C -1.357 175.276 176.300 0.555 0.000 1.186 28 M CA -0.493 55.049 55.300 0.405 0.000 0.927 28 M CB 2.257 34.945 32.600 0.146 0.000 1.715 28 M HN 1.053 nan 8.290 nan 0.000 0.478 29 A N 3.425 126.435 122.820 0.316 0.000 2.371 29 A HA 0.891 5.211 4.320 -0.000 0.000 0.311 29 A C -1.685 176.113 177.584 0.357 0.000 1.068 29 A CA -0.624 51.642 52.037 0.383 0.000 0.744 29 A CB 1.711 20.884 19.000 0.290 0.000 1.239 29 A HN 0.621 nan 8.150 nan 0.000 0.435 30 V N 0.809 121.056 119.914 0.554 0.000 2.735 30 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 30 V C 0.125 176.563 176.094 0.572 0.000 1.061 30 V CA -0.278 62.326 62.300 0.506 0.000 0.913 30 V CB 1.881 34.023 31.823 0.531 0.000 1.005 30 V HN 1.387 nan 8.190 nan 0.000 0.428 31 A N 3.703 126.772 122.820 0.414 0.000 2.343 31 A HA 0.872 5.192 4.320 -0.000 0.000 0.316 31 A C -1.039 176.704 177.584 0.265 0.000 1.104 31 A CA -0.547 51.671 52.037 0.302 0.000 0.768 31 A CB 1.670 20.793 19.000 0.205 0.000 1.213 31 A HN 0.656 nan 8.150 nan 0.000 0.456 32 V N 3.406 123.511 119.914 0.319 0.000 2.417 32 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 32 V C -0.739 175.484 176.094 0.214 0.000 1.024 32 V CA -0.276 62.181 62.300 0.260 0.000 0.861 32 V CB 1.303 33.306 31.823 0.300 0.000 0.985 32 V HN 0.715 nan 8.190 nan 0.000 0.436 33 I N 5.852 126.503 120.570 0.136 0.000 2.312 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 33 I C -0.714 175.514 176.117 0.185 0.000 1.008 33 I CA -0.249 61.104 61.300 0.089 0.000 1.226 33 I CB 0.865 38.848 38.000 -0.027 0.000 1.371 33 I HN 0.593 nan 8.210 nan 0.000 0.468 34 Y N 5.325 125.696 120.300 0.119 0.000 2.346 34 Y HA 0.342 4.892 4.550 0.000 0.000 0.332 34 Y C 0.211 176.162 175.900 0.086 0.000 0.985 34 Y CA -0.878 57.285 58.100 0.106 0.000 1.112 34 Y CB 1.232 39.781 38.460 0.148 0.000 1.170 34 Y HN 0.688 nan 8.280 nan 0.000 0.447 35 Q N 4.520 124.036 119.800 -0.473 0.000 2.457 35 Q HA -0.271 4.069 4.340 -0.000 0.000 0.283 35 Q C 1.097 177.005 176.000 -0.153 0.000 1.234 35 Q CA 1.221 56.812 55.803 -0.353 0.000 0.877 35 Q CB -1.639 26.857 28.738 -0.403 0.000 1.250 35 Q HN 1.416 nan 8.270 nan 0.000 0.481 36 G N 0.055 108.782 108.800 -0.122 0.000 2.184 36 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 36 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 36 G C 0.041 174.886 174.900 -0.091 0.000 0.975 36 G CA 0.751 45.788 45.100 -0.105 0.000 0.642 36 G HN 0.406 nan 8.290 nan 0.000 0.536 37 K N 1.511 121.873 120.400 -0.063 0.000 2.182 37 K HA 0.611 4.931 4.320 -0.000 0.000 0.262 37 K C -2.551 173.862 176.600 -0.312 0.000 0.957 37 K CA -2.272 53.913 56.287 -0.170 0.000 0.842 37 K CB 2.385 34.789 32.500 -0.160 0.000 1.099 37 K HN 0.064 nan 8.250 nan 0.000 0.438 38 P HA 0.186 nan 4.420 nan 0.000 0.288 38 P C -1.540 175.144 177.300 -1.027 0.000 1.267 38 P CA -0.261 62.502 63.100 -0.562 0.000 0.815 38 P CB 0.569 31.998 31.700 -0.452 0.000 0.989 39 Y N 1.048 121.048 120.300 -0.500 0.000 2.462 39 Y HA 0.490 5.040 4.550 -0.000 0.000 0.346 39 Y C -0.094 175.357 175.900 -0.749 0.000 0.976 39 Y CA -0.465 57.321 58.100 -0.523 0.000 1.044 39 Y CB 1.961 40.310 38.460 -0.185 0.000 1.230 39 Y HN 0.295 nan 8.280 nan 0.000 0.455 40 Y N 2.039 122.081 120.300 -0.430 0.000 2.485 40 Y HA 0.718 5.268 4.550 -0.000 0.000 0.345 40 Y C -1.146 174.272 175.900 -0.803 0.000 0.998 40 Y CA -1.310 56.576 58.100 -0.358 0.000 1.059 40 Y CB 1.782 40.153 38.460 -0.150 0.000 1.234 40 Y HN 0.392 nan 8.280 nan 0.000 0.461 41 F N 0.272 120.328 119.950 0.178 0.000 2.581 41 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 41 F C -0.439 175.262 175.800 -0.165 0.000 1.113 41 F CA -0.951 56.977 58.000 -0.120 0.000 0.935 41 F CB 2.435 41.363 39.000 -0.120 0.000 1.232 41 F HN 0.372 nan 8.300 nan 0.000 0.445 42 T N -1.432 112.941 114.554 -0.303 0.000 2.909 42 T HA 0.651 5.001 4.350 -0.000 0.000 0.299 42 T C -1.591 172.951 174.700 -0.264 0.000 1.073 42 T CA -0.744 61.328 62.100 -0.046 0.000 0.999 42 T CB 1.896 70.805 68.868 0.068 0.000 1.098 42 T HN 0.630 nan 8.240 nan 0.000 0.477 43 W N 0.636 122.022 121.300 0.143 0.000 3.138 43 W HA 0.502 5.162 4.660 -0.000 0.000 0.331 43 W C 0.808 177.350 176.519 0.037 0.000 1.166 43 W CA -0.255 57.133 57.345 0.073 0.000 1.212 43 W CB 1.837 31.338 29.460 0.068 0.000 1.399 43 W HN 1.412 nan 8.180 nan 0.000 0.514 44 G N 1.679 110.551 108.800 0.119 0.000 2.569 44 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.259 44 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.259 44 G C -1.500 173.351 174.900 -0.082 0.000 1.263 44 G CA -0.283 44.744 45.100 -0.121 0.000 0.928 44 G HN 0.567 nan 8.290 nan 0.000 0.572 45 Y N 0.336 120.720 120.300 0.141 0.000 2.393 45 Y HA 0.545 5.095 4.550 -0.000 0.000 0.341 45 Y C 1.374 177.371 175.900 0.162 0.000 0.988 45 Y CA -0.433 57.740 58.100 0.122 0.000 1.078 45 Y CB 1.980 40.478 38.460 0.063 0.000 1.203 45 Y HN 0.809 nan 8.280 nan 0.000 0.453 46 A N 1.269 124.293 122.820 0.340 0.000 1.929 46 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 46 A C 0.350 178.137 177.584 0.339 0.000 1.176 46 A CA 1.510 53.692 52.037 0.242 0.000 0.628 46 A CB -0.003 19.076 19.000 0.133 0.000 0.816 46 A HN 0.677 nan 8.150 nan 0.000 0.444 47 D N -1.181 119.407 120.400 0.313 0.000 2.476 47 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 47 D C 0.672 177.034 176.300 0.105 0.000 1.291 47 D CA -0.476 53.723 54.000 0.331 0.000 0.939 47 D CB 0.733 41.712 40.800 0.298 0.000 1.221 47 D HN 0.147 nan 8.370 nan 0.000 0.567 48 I N 2.287 122.922 120.570 0.108 0.000 2.179 48 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 48 I C 2.433 178.438 176.117 -0.186 0.000 1.088 48 I CA 1.273 62.507 61.300 -0.109 0.000 1.357 48 I CB -0.120 37.757 38.000 -0.206 0.000 1.051 48 I HN 0.441 nan 8.210 nan 0.000 0.409 49 A N 0.865 123.631 122.820 -0.091 0.000 1.902 49 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 49 A C 2.205 179.712 177.584 -0.129 0.000 1.181 49 A CA 1.596 53.569 52.037 -0.107 0.000 0.623 49 A CB -0.405 18.537 19.000 -0.097 0.000 0.818 49 A HN 0.372 nan 8.150 nan 0.000 0.443 50 K N -0.708 119.623 120.400 -0.115 0.000 2.444 50 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 50 K C -0.322 176.159 176.600 -0.200 0.000 1.024 50 K CA 0.211 56.435 56.287 -0.104 0.000 1.077 50 K CB 0.093 32.580 32.500 -0.022 0.000 0.833 50 K HN 0.412 nan 8.250 nan 0.000 0.517 51 K N 1.683 121.823 120.400 -0.433 0.000 3.156 51 K HA -0.215 4.105 4.320 -0.000 0.000 0.266 51 K C -0.274 176.079 176.600 -0.412 0.000 0.966 51 K CA 0.387 56.141 56.287 -0.888 0.000 0.719 51 K CB -1.136 31.024 32.500 -0.565 0.000 1.333 51 K HN 0.163 nan 8.250 nan 0.000 0.468 52 Q N 1.160 120.854 119.800 -0.177 0.000 2.314 52 Q HA 0.195 4.535 4.340 -0.000 0.000 0.257 52 Q C -2.358 173.796 176.000 0.256 0.000 0.975 52 Q CA -2.233 53.606 55.803 0.062 0.000 0.933 52 Q CB 0.920 29.705 28.738 0.079 0.000 1.195 52 Q HN 0.020 nan 8.270 nan 0.000 0.426 53 P HA -0.011 nan 4.420 nan 0.000 0.274 53 P C -0.615 176.824 177.300 0.231 0.000 1.231 53 P CA -0.282 63.013 63.100 0.324 0.000 0.790 53 P CB 0.786 32.611 31.700 0.208 0.000 0.951 54 V N 2.850 122.911 119.914 0.246 0.000 2.599 54 V HA 0.157 4.277 4.120 -0.000 0.000 0.300 54 V C 1.277 177.486 176.094 0.192 0.000 1.034 54 V CA 0.932 63.384 62.300 0.254 0.000 1.115 54 V CB -0.023 32.032 31.823 0.386 0.000 0.934 54 V HN 0.885 nan 8.190 nan 0.000 0.485 55 T N 1.391 116.044 114.554 0.163 0.000 2.831 55 T HA 0.363 4.713 4.350 -0.000 0.000 0.287 55 T C 0.501 175.252 174.700 0.085 0.000 1.070 55 T CA -0.734 61.421 62.100 0.091 0.000 1.010 55 T CB 1.604 70.496 68.868 0.040 0.000 1.264 55 T HN 0.390 nan 8.240 nan 0.000 0.532 56 Q N -0.399 119.391 119.800 -0.017 0.000 2.364 56 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 56 Q C 1.613 177.562 176.000 -0.085 0.000 0.977 56 Q CA 1.343 57.085 55.803 -0.101 0.000 0.885 56 Q CB -0.182 28.405 28.738 -0.252 0.000 0.941 56 Q HN 0.561 nan 8.270 nan 0.000 0.464 57 Q N -0.841 118.919 119.800 -0.067 0.000 2.356 57 Q HA 0.077 4.417 4.340 -0.000 0.000 0.205 57 Q C -0.156 175.828 176.000 -0.027 0.000 0.901 57 Q CA 0.334 56.066 55.803 -0.119 0.000 0.938 57 Q CB 0.873 29.530 28.738 -0.135 0.000 1.081 57 Q HN 0.072 nan 8.270 nan 0.000 0.517 58 T N 1.195 115.785 114.554 0.060 0.000 2.834 58 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 58 T C -0.303 174.448 174.700 0.085 0.000 0.966 58 T CA -0.224 61.904 62.100 0.047 0.000 1.141 58 T CB 0.323 69.215 68.868 0.039 0.000 0.905 58 T HN -0.001 nan 8.240 nan 0.000 0.535 59 L N 4.274 125.505 121.223 0.013 0.000 2.305 59 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 59 L C -0.375 176.493 176.870 -0.003 0.000 1.085 59 L CA 0.034 54.901 54.840 0.046 0.000 0.813 59 L CB 0.263 42.277 42.059 -0.074 0.000 1.157 59 L HN 0.532 nan 8.230 nan 0.000 0.436 60 F N 0.697 120.699 119.950 0.087 0.000 2.522 60 F HA 0.406 4.933 4.527 -0.000 0.000 0.324 60 F C 0.525 176.138 175.800 -0.312 0.000 1.077 60 F CA -0.906 57.118 58.000 0.041 0.000 0.944 60 F CB 1.298 40.454 39.000 0.260 0.000 1.175 60 F HN 0.410 nan 8.300 nan 0.000 0.468 61 E N 2.954 122.676 120.200 -0.797 0.000 2.324 61 E HA 0.119 4.469 4.350 -0.000 0.000 0.271 61 E C 0.462 177.009 176.600 -0.088 0.000 1.028 61 E CA 0.010 56.109 56.400 -0.501 0.000 0.890 61 E CB 0.775 30.054 29.700 -0.703 0.000 1.004 61 E HN 0.619 nan 8.360 nan 0.000 0.431 62 L N 2.851 124.089 121.223 0.025 0.000 2.446 62 L HA 0.087 4.426 4.340 -0.000 0.000 0.219 62 L C 1.417 178.394 176.870 0.177 0.000 1.116 62 L CA 0.416 55.337 54.840 0.136 0.000 0.844 62 L CB -0.793 41.348 42.059 0.137 0.000 0.970 62 L HN 0.901 nan 8.230 nan 0.000 0.457 63 G N 1.230 110.134 108.800 0.174 0.000 2.596 63 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.295 63 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.295 63 G C 0.900 175.947 174.900 0.245 0.000 1.240 63 G CA 0.661 45.892 45.100 0.219 0.000 0.985 63 G HN 0.421 nan 8.290 nan 0.000 0.555 64 S N -0.442 115.402 115.700 0.241 0.000 2.547 64 S HA 0.136 4.606 4.470 -0.000 0.000 0.235 64 S C 2.171 176.896 174.600 0.208 0.000 0.980 64 S CA 1.699 60.049 58.200 0.250 0.000 0.941 64 S CB 0.204 63.591 63.200 0.311 0.000 0.763 64 S HN 1.258 nan 8.310 nan 0.000 0.532 65 V N 2.045 122.077 119.914 0.197 0.000 2.720 65 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 65 V C 2.582 178.786 176.094 0.184 0.000 1.082 65 V CA 1.797 64.192 62.300 0.158 0.000 1.101 65 V CB -1.134 30.811 31.823 0.202 0.000 0.693 65 V HN 0.589 nan 8.190 nan 0.000 0.479 66 S N -0.048 115.789 115.700 0.229 0.000 2.400 66 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 66 S C 2.018 176.773 174.600 0.259 0.000 1.025 66 S CA 1.337 59.705 58.200 0.281 0.000 0.993 66 S CB -0.336 62.970 63.200 0.176 0.000 0.808 66 S HN 0.609 nan 8.310 nan 0.000 0.478 67 R N 0.906 121.504 120.500 0.164 0.000 2.200 67 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 67 R C 2.645 178.961 176.300 0.028 0.000 1.127 67 R CA 1.645 57.817 56.100 0.120 0.000 0.989 67 R CB -0.864 29.509 30.300 0.122 0.000 0.869 67 R HN 0.654 nan 8.270 nan 0.000 0.459 68 T N -1.655 112.820 114.554 -0.131 0.000 2.857 68 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 68 T C 1.665 176.371 174.700 0.010 0.000 1.048 68 T CA 0.846 62.703 62.100 -0.404 0.000 1.139 68 T CB -0.289 67.936 68.868 -1.072 0.000 0.874 68 T HN 0.071 nan 8.240 nan 0.000 0.455 69 F N 2.213 122.211 119.950 0.079 0.000 2.146 69 F HA 0.031 4.558 4.527 0.000 0.000 0.298 69 F C 3.033 178.888 175.800 0.092 0.000 1.096 69 F CA 1.385 59.390 58.000 0.007 0.000 1.275 69 F CB -1.206 37.683 39.000 -0.184 0.000 1.008 69 F HN 0.130 nan 8.300 nan 0.000 0.480 70 T N -0.459 114.290 114.554 0.326 0.000 2.708 70 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 70 T C 2.370 177.262 174.700 0.321 0.000 1.037 70 T CA 1.477 63.783 62.100 0.343 0.000 1.146 70 T CB -1.078 67.995 68.868 0.342 0.000 0.865 70 T HN 0.447 nan 8.240 nan 0.000 0.435 71 G N 0.942 109.893 108.800 0.252 0.000 2.421 71 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 71 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 71 G C 1.709 176.766 174.900 0.263 0.000 1.171 71 G CA 0.858 46.100 45.100 0.237 0.000 0.775 71 G HN 0.436 nan 8.290 nan 0.000 0.543 72 V N 0.602 120.679 119.914 0.272 0.000 2.427 72 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 72 V C 2.683 178.895 176.094 0.196 0.000 1.051 72 V CA 1.554 64.021 62.300 0.278 0.000 1.048 72 V CB -0.362 31.720 31.823 0.432 0.000 0.666 72 V HN 0.344 nan 8.190 nan 0.000 0.456 73 L N 1.276 122.590 121.223 0.152 0.000 2.046 73 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 73 L C 2.334 179.215 176.870 0.017 0.000 1.077 73 L CA 2.426 57.275 54.840 0.016 0.000 0.747 73 L CB -1.230 40.755 42.059 -0.123 0.000 0.896 73 L HN 0.272 nan 8.230 nan 0.000 0.432 74 G N -1.197 107.672 108.800 0.114 0.000 2.418 74 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 74 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 74 G C 1.532 176.531 174.900 0.164 0.000 1.158 74 G CA 0.558 45.734 45.100 0.127 0.000 0.771 74 G HN 0.587 nan 8.290 nan 0.000 0.545 75 G N 0.670 109.585 108.800 0.191 0.000 2.440 75 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 75 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 75 G C 1.448 176.402 174.900 0.089 0.000 1.154 75 G CA 1.414 46.603 45.100 0.148 0.000 0.767 75 G HN 0.513 nan 8.290 nan 0.000 0.552 76 D N 0.488 120.928 120.400 0.067 0.000 2.117 76 D HA 0.028 4.668 4.640 -0.000 0.000 0.197 76 D C 2.665 178.965 176.300 0.001 0.000 0.987 76 D CA 1.453 55.469 54.000 0.028 0.000 0.829 76 D CB -0.268 40.538 40.800 0.011 0.000 0.961 76 D HN 0.250 nan 8.370 nan 0.000 0.460 77 A N -0.006 122.802 122.820 -0.020 0.000 1.933 77 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 77 A C 2.299 179.873 177.584 -0.017 0.000 1.175 77 A CA 1.123 53.131 52.037 -0.048 0.000 0.628 77 A CB -0.752 18.181 19.000 -0.111 0.000 0.814 77 A HN 0.394 nan 8.150 nan 0.000 0.444 78 I N -0.216 120.364 120.570 0.017 0.000 2.179 78 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 78 I C 2.939 179.076 176.117 0.034 0.000 1.088 78 I CA 1.144 62.467 61.300 0.039 0.000 1.357 78 I CB -0.354 37.690 38.000 0.074 0.000 1.051 78 I HN 0.326 nan 8.210 nan 0.000 0.409 79 A N 0.718 123.558 122.820 0.033 0.000 1.972 79 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 79 A C 2.317 179.910 177.584 0.014 0.000 1.169 79 A CA 1.353 53.406 52.037 0.026 0.000 0.635 79 A CB -0.565 18.450 19.000 0.025 0.000 0.810 79 A HN 0.341 nan 8.150 nan 0.000 0.446 80 R N -1.377 119.127 120.500 0.006 0.000 2.316 80 R HA 0.117 4.457 4.340 -0.000 0.000 0.202 80 R C 1.335 177.639 176.300 0.006 0.000 1.029 80 R CA 0.544 56.644 56.100 -0.001 0.000 1.018 80 R CB -0.231 30.060 30.300 -0.015 0.000 0.888 80 R HN 0.705 nan 8.270 nan 0.000 0.471 81 G N 0.936 109.746 108.800 0.016 0.000 2.143 81 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 81 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 81 G C 0.511 175.432 174.900 0.035 0.000 0.991 81 G CA 0.568 45.684 45.100 0.027 0.000 0.689 81 G HN 0.451 nan 8.290 nan 0.000 0.522 82 E N -0.629 119.584 120.200 0.021 0.000 2.122 82 E HA 0.248 4.598 4.350 -0.000 0.000 0.190 82 E C 1.547 178.183 176.600 0.060 0.000 0.977 82 E CA 1.130 57.545 56.400 0.025 0.000 0.820 82 E CB 0.194 29.882 29.700 -0.020 0.000 0.770 82 E HN 0.899 nan 8.360 nan 0.000 0.462 83 I N -2.424 118.155 120.570 0.015 0.000 3.074 83 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 83 I C -1.354 174.807 176.117 0.074 0.000 1.153 83 I CA -1.241 60.058 61.300 -0.003 0.000 0.993 83 I CB 2.289 40.092 38.000 -0.329 0.000 1.237 83 I HN -0.341 nan 8.210 nan 0.000 0.443 84 K N 3.030 123.522 120.400 0.153 0.000 2.378 84 K HA 0.494 4.814 4.320 -0.000 0.000 0.252 84 K C 0.066 176.748 176.600 0.137 0.000 0.931 84 K CA -0.763 55.606 56.287 0.136 0.000 0.794 84 K CB 2.917 35.506 32.500 0.147 0.000 1.181 84 K HN 0.613 nan 8.250 nan 0.000 0.425 85 L N 1.035 122.316 121.223 0.097 0.000 2.275 85 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 85 L C 1.917 178.821 176.870 0.056 0.000 1.119 85 L CA 1.238 56.117 54.840 0.066 0.000 0.790 85 L CB -0.270 41.780 42.059 -0.016 0.000 0.919 85 L HN 0.715 nan 8.230 nan 0.000 0.443 86 S N -2.704 113.041 115.700 0.075 0.000 2.562 86 S HA 0.011 4.481 4.470 -0.000 0.000 0.221 86 S C 0.561 175.225 174.600 0.107 0.000 0.975 86 S CA -0.232 58.008 58.200 0.067 0.000 0.918 86 S CB -0.286 62.952 63.200 0.062 0.000 0.772 86 S HN 0.213 nan 8.310 nan 0.000 0.531 87 D N 3.548 124.049 120.400 0.170 0.000 2.304 87 D HA 0.391 5.031 4.640 -0.000 0.000 0.247 87 D C -2.675 173.760 176.300 0.226 0.000 1.089 87 D CA -1.817 52.304 54.000 0.202 0.000 0.910 87 D CB 0.877 41.861 40.800 0.306 0.000 1.199 87 D HN 0.115 nan 8.370 nan 0.000 0.426 88 P HA 0.034 nan 4.420 nan 0.000 0.268 88 P C 0.770 178.212 177.300 0.237 0.000 1.205 88 P CA -0.031 63.183 63.100 0.189 0.000 0.771 88 P CB 0.503 32.275 31.700 0.121 0.000 0.858 89 T N 0.945 115.673 114.554 0.291 0.000 2.737 89 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 89 T C 1.485 176.308 174.700 0.205 0.000 1.040 89 T CA 2.141 64.415 62.100 0.289 0.000 1.142 89 T CB -0.883 68.158 68.868 0.287 0.000 0.861 89 T HN 0.499 nan 8.240 nan 0.000 0.456 90 T N 1.288 115.914 114.554 0.119 0.000 2.962 90 T HA -0.022 4.328 4.350 -0.000 0.000 0.270 90 T C 1.832 176.527 174.700 -0.008 0.000 1.088 90 T CA 0.853 62.973 62.100 0.034 0.000 1.127 90 T CB -0.111 68.764 68.868 0.013 0.000 0.883 90 T HN 0.438 nan 8.240 nan 0.000 0.493 91 K N 0.311 120.649 120.400 -0.102 0.000 2.152 91 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 91 K C 1.098 177.431 176.600 -0.444 0.000 1.048 91 K CA 1.410 57.482 56.287 -0.359 0.000 0.933 91 K CB -0.083 32.036 32.500 -0.635 0.000 0.721 91 K HN 0.485 nan 8.250 nan 0.000 0.447 92 Y N -2.830 117.507 120.300 0.060 0.000 2.444 92 Y HA 0.114 4.664 4.550 -0.000 0.000 0.249 92 Y C 0.256 176.209 175.900 0.088 0.000 1.134 92 Y CA -0.735 57.386 58.100 0.036 0.000 1.261 92 Y CB 0.619 39.073 38.460 -0.010 0.000 1.143 92 Y HN 0.103 nan 8.280 nan 0.000 0.523 93 W N 4.013 125.311 121.300 -0.002 0.000 2.291 93 W HA 0.395 5.055 4.660 -0.000 0.000 0.288 93 W C -2.381 174.084 176.519 -0.090 0.000 0.976 93 W CA -3.644 53.659 57.345 -0.070 0.000 1.744 93 W CB 0.946 30.316 29.460 -0.149 0.000 1.815 93 W HN -0.138 nan 8.180 nan 0.000 0.396 94 P HA -0.203 nan 4.420 nan 0.000 0.219 94 P C 0.825 178.086 177.300 -0.065 0.000 1.146 94 P CA 1.753 64.866 63.100 0.022 0.000 0.808 94 P CB 0.525 32.245 31.700 0.033 0.000 0.779 95 E N -0.454 119.697 120.200 -0.081 0.000 2.338 95 E HA -0.070 4.279 4.350 -0.000 0.000 0.197 95 E C 0.863 177.173 176.600 -0.483 0.000 1.007 95 E CA 0.269 56.540 56.400 -0.215 0.000 0.849 95 E CB -0.777 28.870 29.700 -0.088 0.000 0.774 95 E HN 0.142 nan 8.360 nan 0.000 0.506 96 L N 1.674 122.448 121.223 -0.749 0.000 2.395 96 L HA 0.108 4.448 4.340 -0.000 0.000 0.268 96 L C 0.706 177.334 176.870 -0.404 0.000 1.223 96 L CA 0.407 54.745 54.840 -0.838 0.000 1.093 96 L CB -0.204 41.136 42.059 -1.197 0.000 1.349 96 L HN 0.035 nan 8.230 nan 0.000 0.427 97 T N -0.344 114.064 114.554 -0.242 0.000 3.060 97 T HA 0.386 4.736 4.350 -0.000 0.000 0.249 97 T C 0.903 175.607 174.700 0.006 0.000 1.079 97 T CA 0.222 62.269 62.100 -0.089 0.000 1.013 97 T CB 0.024 68.849 68.868 -0.071 0.000 0.975 97 T HN 0.526 nan 8.240 nan 0.000 0.518 98 A N 2.687 125.537 122.820 0.050 0.000 2.498 98 A HA 0.325 4.645 4.320 -0.000 0.000 0.239 98 A C 1.637 179.342 177.584 0.201 0.000 1.068 98 A CA -0.168 51.953 52.037 0.140 0.000 0.766 98 A CB 0.294 19.415 19.000 0.202 0.000 1.003 98 A HN 0.616 nan 8.150 nan 0.000 0.497 99 K N 1.422 121.887 120.400 0.109 0.000 2.209 99 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 99 K C 1.360 178.000 176.600 0.068 0.000 1.048 99 K CA 1.525 57.859 56.287 0.079 0.000 0.940 99 K CB -0.061 32.456 32.500 0.028 0.000 0.729 99 K HN 0.810 nan 8.250 nan 0.000 0.451 100 Q N 0.254 120.069 119.800 0.026 0.000 2.436 100 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 100 Q C 0.799 176.704 176.000 -0.159 0.000 0.965 100 Q CA 0.983 56.704 55.803 -0.136 0.000 0.910 100 Q CB -0.361 28.186 28.738 -0.318 0.000 0.980 100 Q HN 0.582 nan 8.270 nan 0.000 0.491 101 W N 1.824 123.181 121.300 0.094 0.000 3.003 101 W HA 0.177 4.837 4.660 -0.000 0.000 0.257 101 W C 0.163 176.746 176.519 0.107 0.000 1.308 101 W CA -0.591 56.832 57.345 0.131 0.000 1.529 101 W CB 0.211 29.727 29.460 0.093 0.000 1.115 101 W HN -0.029 nan 8.180 nan 0.000 0.659 102 N N 0.883 119.724 118.700 0.234 0.000 2.447 102 N HA 0.188 4.928 4.740 -0.000 0.000 0.263 102 N C 1.126 176.727 175.510 0.152 0.000 1.226 102 N CA 1.633 54.785 53.050 0.170 0.000 0.906 102 N CB 0.765 39.318 38.487 0.110 0.000 1.060 102 N HN 0.262 nan 8.380 nan 0.000 0.468 103 G N 1.718 110.627 108.800 0.182 0.000 2.194 103 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.236 103 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.236 103 G C 0.108 175.183 174.900 0.293 0.000 0.987 103 G CA -0.401 44.817 45.100 0.197 0.000 0.635 103 G HN 0.553 nan 8.290 nan 0.000 0.520 104 I N 3.061 123.826 120.570 0.326 0.000 2.312 104 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 104 I C 1.141 177.560 176.117 0.504 0.000 1.031 104 I CA 0.138 61.718 61.300 0.467 0.000 1.293 104 I CB 1.133 39.357 38.000 0.373 0.000 1.403 104 I HN 0.303 nan 8.210 nan 0.000 0.484 105 T N 2.933 117.807 114.554 0.534 0.000 2.923 105 T HA 0.456 4.806 4.350 -0.000 0.000 0.281 105 T C 1.229 176.056 174.700 0.210 0.000 0.995 105 T CA -0.884 61.359 62.100 0.239 0.000 0.985 105 T CB 1.517 70.394 68.868 0.016 0.000 1.114 105 T HN 0.411 nan 8.240 nan 0.000 0.548 106 L N 0.303 121.648 121.223 0.202 0.000 2.079 106 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 106 L C 2.559 179.466 176.870 0.063 0.000 1.081 106 L CA 0.973 55.951 54.840 0.230 0.000 0.752 106 L CB -0.799 41.419 42.059 0.265 0.000 0.896 106 L HN 0.608 nan 8.230 nan 0.000 0.433 107 L N -0.486 120.698 121.223 -0.065 0.000 2.013 107 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 107 L C 2.726 179.549 176.870 -0.079 0.000 1.073 107 L CA 1.941 56.669 54.840 -0.188 0.000 0.753 107 L CB -0.812 41.131 42.059 -0.194 0.000 0.890 107 L HN 0.258 nan 8.230 nan 0.000 0.432 108 H N -0.314 118.829 119.070 0.121 0.000 2.352 108 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 108 H C 2.389 177.728 175.328 0.019 0.000 1.097 108 H CA 2.047 58.157 56.048 0.104 0.000 1.311 108 H CB -0.551 29.296 29.762 0.141 0.000 1.377 108 H HN 0.381 nan 8.280 nan 0.000 0.504 109 L N 0.097 121.419 121.223 0.166 0.000 2.017 109 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 109 L C 2.839 179.649 176.870 -0.100 0.000 1.073 109 L CA 1.070 55.975 54.840 0.109 0.000 0.745 109 L CB -0.572 41.618 42.059 0.218 0.000 0.894 109 L HN 0.215 nan 8.230 nan 0.000 0.432 110 A N -0.337 122.254 122.820 -0.382 0.000 2.015 110 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 110 A C 2.074 179.255 177.584 -0.672 0.000 1.163 110 A CA 1.959 53.510 52.037 -0.811 0.000 0.646 110 A CB -0.628 17.474 19.000 -1.496 0.000 0.806 110 A HN 0.528 nan 8.150 nan 0.000 0.448 111 T N -6.607 107.668 114.554 -0.465 0.000 3.132 111 T HA 0.322 4.672 4.350 -0.000 0.000 0.274 111 T C 0.309 174.785 174.700 -0.373 0.000 1.011 111 T CA 0.275 62.124 62.100 -0.419 0.000 0.899 111 T CB -0.742 68.162 68.868 0.061 0.000 1.089 111 T HN 0.671 nan 8.240 nan 0.000 0.543 112 Y N 0.962 121.245 120.300 -0.028 0.000 4.272 112 Y HA -0.280 4.270 4.550 0.000 0.000 0.232 112 Y C 1.191 177.052 175.900 -0.064 0.000 1.149 112 Y CA 0.526 58.611 58.100 -0.024 0.000 1.961 112 Y CB -2.860 35.599 38.460 -0.001 0.000 1.611 112 Y HN 0.585 nan 8.280 nan 0.000 0.682 113 T N -4.035 110.513 114.554 -0.010 0.000 3.215 113 T HA 0.647 4.997 4.350 -0.000 0.000 0.271 113 T C 1.332 175.990 174.700 -0.070 0.000 1.012 113 T CA 0.166 62.173 62.100 -0.154 0.000 0.899 113 T CB 0.818 69.348 68.868 -0.564 0.000 1.089 113 T HN 0.467 nan 8.240 nan 0.000 0.552 114 A N 1.290 124.138 122.820 0.046 0.000 2.119 114 A HA 0.568 4.888 4.320 -0.000 0.000 0.217 114 A C 1.873 179.517 177.584 0.099 0.000 1.153 114 A CA 0.570 52.620 52.037 0.022 0.000 0.692 114 A CB -0.814 18.209 19.000 0.038 0.000 0.799 114 A HN 1.469 nan 8.150 nan 0.000 0.458 115 G N -2.901 106.033 108.800 0.223 0.000 2.247 115 G HA2 0.392 4.352 3.960 -0.000 0.000 0.111 115 G HA3 0.392 4.352 3.960 -0.000 0.000 0.111 115 G C 0.993 176.219 174.900 0.544 0.000 1.045 115 G CA 0.311 45.647 45.100 0.394 0.000 0.715 115 G HN 2.000 nan 8.290 nan 0.000 0.485 116 G N -0.842 108.303 108.800 0.574 0.000 2.164 116 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.212 116 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.212 116 G C 0.453 175.637 174.900 0.474 0.000 1.031 116 G CA 0.032 45.430 45.100 0.497 0.000 0.730 116 G HN 1.320 nan 8.290 nan 0.000 0.501 117 L N 1.514 122.870 121.223 0.223 0.000 2.514 117 L HA 0.228 4.567 4.340 -0.000 0.000 0.280 117 L C -0.807 176.141 176.870 0.129 0.000 1.223 117 L CA -1.094 53.675 54.840 -0.118 0.000 0.864 117 L CB 0.361 42.274 42.059 -0.243 0.000 1.118 117 L HN 0.135 nan 8.230 nan 0.000 0.494 118 P HA 0.006 nan 4.420 nan 0.000 0.276 118 P C 0.509 177.894 177.300 0.141 0.000 1.244 118 P CA -0.613 62.605 63.100 0.197 0.000 0.801 118 P CB 1.132 32.979 31.700 0.246 0.000 1.006 119 L N 1.147 122.441 121.223 0.119 0.000 2.021 119 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 119 L C 0.945 177.854 176.870 0.065 0.000 1.074 119 L CA 2.114 57.008 54.840 0.089 0.000 0.760 119 L CB -0.821 41.297 42.059 0.098 0.000 0.889 119 L HN 0.443 nan 8.230 nan 0.000 0.433 120 Q N -1.083 118.750 119.800 0.055 0.000 2.345 120 Q HA 0.455 4.795 4.340 -0.000 0.000 0.268 120 Q C -0.939 175.038 176.000 -0.039 0.000 1.054 120 Q CA -1.038 54.775 55.803 0.017 0.000 0.835 120 Q CB 2.533 31.269 28.738 -0.005 0.000 1.339 120 Q HN -0.044 nan 8.270 nan 0.000 0.447 121 V N 3.536 123.391 119.914 -0.099 0.000 2.572 121 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 121 V C -2.056 173.850 176.094 -0.312 0.000 1.039 121 V CA -1.261 60.820 62.300 -0.366 0.000 1.055 121 V CB 0.233 31.879 31.823 -0.295 0.000 0.969 121 V HN 0.655 nan 8.190 nan 0.000 0.482 122 P HA -0.010 nan 4.420 nan 0.000 0.265 122 P C 0.725 177.931 177.300 -0.156 0.000 1.187 122 P CA 0.167 63.134 63.100 -0.221 0.000 0.766 122 P CB 0.453 32.026 31.700 -0.211 0.000 0.820 123 D N 1.882 122.235 120.400 -0.078 0.000 2.218 123 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 123 D C 1.009 177.286 176.300 -0.039 0.000 0.976 123 D CA 1.339 55.313 54.000 -0.043 0.000 0.853 123 D CB 0.219 41.009 40.800 -0.017 0.000 0.939 123 D HN 0.497 nan 8.370 nan 0.000 0.481 124 E N -0.056 120.117 120.200 -0.044 0.000 2.347 124 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 124 E C 0.369 176.950 176.600 -0.031 0.000 1.008 124 E CA 0.004 56.389 56.400 -0.025 0.000 0.852 124 E CB 0.356 30.049 29.700 -0.012 0.000 0.783 124 E HN 0.002 nan 8.360 nan 0.000 0.505 125 V N 1.812 121.682 119.914 -0.074 0.000 2.405 125 V HA 0.051 4.171 4.120 -0.000 0.000 0.264 125 V C 0.832 176.900 176.094 -0.043 0.000 1.048 125 V CA 0.468 62.723 62.300 -0.075 0.000 0.966 125 V CB 1.010 32.715 31.823 -0.198 0.000 1.015 125 V HN 0.132 nan 8.190 nan 0.000 0.477 126 K N 2.306 122.701 120.400 -0.008 0.000 2.418 126 K HA 0.173 4.493 4.320 -0.000 0.000 0.208 126 K C 1.071 177.679 176.600 0.013 0.000 1.261 126 K CA 0.379 56.666 56.287 0.000 0.000 0.874 126 K CB 0.349 32.852 32.500 0.006 0.000 1.451 126 K HN 0.690 nan 8.250 nan 0.000 0.466 127 S N 0.582 116.298 115.700 0.027 0.000 2.645 127 S HA 0.049 4.519 4.470 -0.000 0.000 0.266 127 S C 1.316 175.952 174.600 0.061 0.000 1.258 127 S CA -0.076 58.146 58.200 0.036 0.000 0.990 127 S CB 1.482 64.706 63.200 0.040 0.000 0.967 127 S HN 0.271 nan 8.310 nan 0.000 0.556 128 S N 1.284 117.020 115.700 0.061 0.000 2.370 128 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 128 S C 2.039 176.733 174.600 0.157 0.000 1.033 128 S CA 1.398 59.654 58.200 0.094 0.000 1.011 128 S CB -1.553 61.686 63.200 0.065 0.000 0.852 128 S HN 1.074 nan 8.310 nan 0.000 0.457 129 S N 2.412 118.185 115.700 0.121 0.000 2.368 129 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 129 S C 1.464 176.146 174.600 0.137 0.000 1.029 129 S CA 1.143 59.419 58.200 0.126 0.000 0.988 129 S CB -0.808 62.444 63.200 0.086 0.000 0.838 129 S HN 0.430 nan 8.310 nan 0.000 0.462 130 D N 1.573 122.043 120.400 0.116 0.000 2.123 130 D HA -0.039 4.601 4.640 -0.000 0.000 0.196 130 D C 1.842 178.252 176.300 0.182 0.000 0.992 130 D CA 0.813 54.883 54.000 0.117 0.000 0.833 130 D CB -0.515 40.327 40.800 0.071 0.000 0.954 130 D HN 0.314 nan 8.370 nan 0.000 0.455 131 L N 0.352 121.707 121.223 0.220 0.000 2.027 131 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 131 L C 2.145 179.341 176.870 0.544 0.000 1.074 131 L CA 1.078 56.133 54.840 0.360 0.000 0.745 131 L CB -0.618 41.648 42.059 0.346 0.000 0.898 131 L HN 0.009 nan 8.230 nan 0.000 0.433 132 L N -0.341 121.168 121.223 0.477 0.000 2.012 132 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 132 L C 2.712 179.668 176.870 0.145 0.000 1.073 132 L CA 1.822 56.837 54.840 0.291 0.000 0.748 132 L CB -0.731 41.446 42.059 0.197 0.000 0.891 132 L HN 0.286 nan 8.230 nan 0.000 0.431 133 R N -1.476 119.122 120.500 0.164 0.000 2.091 133 R HA -0.246 4.094 4.340 -0.000 0.000 0.238 133 R C 2.382 178.780 176.300 0.163 0.000 1.136 133 R CA 2.009 58.186 56.100 0.129 0.000 0.959 133 R CB -0.589 29.784 30.300 0.122 0.000 0.856 133 R HN 0.468 nan 8.270 nan 0.000 0.437 134 F N 0.346 120.331 119.950 0.058 0.000 2.075 134 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 134 F C 1.523 177.362 175.800 0.065 0.000 1.113 134 F CA 1.508 59.505 58.000 -0.004 0.000 1.218 134 F CB -0.660 38.252 39.000 -0.146 0.000 0.984 134 F HN -0.005 nan 8.300 nan 0.000 0.472 135 Y N 0.665 120.933 120.300 -0.053 0.000 2.242 135 Y HA -0.170 4.380 4.550 0.000 0.000 0.291 135 Y C 2.636 178.659 175.900 0.204 0.000 1.137 135 Y CA 1.556 59.641 58.100 -0.025 0.000 1.181 135 Y CB -0.959 37.473 38.460 -0.047 0.000 0.989 135 Y HN 0.146 nan 8.280 nan 0.000 0.527 136 Q N -0.100 119.799 119.800 0.165 0.000 2.226 136 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 136 Q C 1.301 177.410 176.000 0.181 0.000 0.975 136 Q CA 1.041 56.933 55.803 0.148 0.000 0.866 136 Q CB -0.265 28.477 28.738 0.008 0.000 0.915 136 Q HN 0.528 nan 8.270 nan 0.000 0.440 137 N N -0.715 118.059 118.700 0.123 0.000 2.373 137 N HA -0.047 4.693 4.740 -0.000 0.000 0.181 137 N C 0.005 175.544 175.510 0.048 0.000 1.082 137 N CA -0.045 53.046 53.050 0.069 0.000 0.885 137 N CB 0.033 38.555 38.487 0.058 0.000 0.977 137 N HN 0.227 nan 8.380 nan 0.000 0.462 138 W N 3.196 124.412 121.300 -0.140 0.000 2.251 138 W HA 0.109 4.768 4.660 -0.000 0.000 0.327 138 W C -0.438 175.981 176.519 -0.166 0.000 1.361 138 W CA 0.057 57.275 57.345 -0.211 0.000 1.234 138 W CB 0.562 29.831 29.460 -0.318 0.000 1.212 138 W HN -0.119 nan 8.180 nan 0.000 0.557 139 Q N 8.246 127.435 119.800 -1.018 0.000 2.331 139 Q HA 0.336 4.676 4.340 -0.000 0.000 0.267 139 Q C -2.094 172.998 176.000 -1.514 0.000 1.006 139 Q CA -2.053 53.097 55.803 -1.089 0.000 0.818 139 Q CB 1.481 29.888 28.738 -0.552 0.000 1.276 139 Q HN 0.398 nan 8.270 nan 0.000 0.450 140 P HA 0.114 nan 4.420 nan 0.000 0.271 140 P C -0.205 176.702 177.300 -0.655 0.000 1.218 140 P CA 0.017 62.466 63.100 -1.085 0.000 0.780 140 P CB 0.993 32.248 31.700 -0.741 0.000 0.901 141 A N 2.827 125.274 122.820 -0.621 0.000 2.016 141 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 141 A C 0.448 177.363 177.584 -1.115 0.000 1.162 141 A CA 0.725 52.146 52.037 -1.027 0.000 0.662 141 A CB -0.255 17.727 19.000 -1.696 0.000 0.812 141 A HN 0.599 nan 8.150 nan 0.000 0.450 142 W N -2.893 118.360 121.300 -0.079 0.000 3.062 142 W HA 0.636 5.296 4.660 -0.000 0.000 0.336 142 W C -0.011 176.452 176.519 -0.092 0.000 1.224 142 W CA -1.237 56.065 57.345 -0.072 0.000 1.159 142 W CB 0.962 30.393 29.460 -0.048 0.000 1.454 142 W HN 0.142 nan 8.180 nan 0.000 0.569 143 A N 2.375 125.286 122.820 0.153 0.000 2.406 143 A HA 0.530 4.850 4.320 -0.000 0.000 0.243 143 A C -2.215 175.377 177.584 0.013 0.000 1.082 143 A CA -0.763 51.301 52.037 0.045 0.000 0.786 143 A CB -0.764 18.260 19.000 0.039 0.000 1.029 143 A HN 0.138 nan 8.150 nan 0.000 0.495 144 P HA 0.288 nan 4.420 nan 0.000 0.269 144 P C 0.786 177.943 177.300 -0.239 0.000 1.209 144 P CA 1.595 64.510 63.100 -0.309 0.000 0.776 144 P CB 0.505 31.928 31.700 -0.462 0.000 0.876 145 G N 1.407 110.017 108.800 -0.316 0.000 2.176 145 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G C 0.643 175.489 174.900 -0.091 0.000 1.024 145 G CA 0.743 45.823 45.100 -0.035 0.000 0.755 145 G HN 0.697 nan 8.290 nan 0.000 0.507 146 T N -5.106 109.345 114.554 -0.171 0.000 3.019 146 T HA 0.432 4.782 4.350 -0.000 0.000 0.247 146 T C 0.568 175.107 174.700 -0.268 0.000 0.992 146 T CA 0.807 62.826 62.100 -0.135 0.000 1.036 146 T CB 0.632 69.467 68.868 -0.055 0.000 1.063 146 T HN 0.283 nan 8.240 nan 0.000 0.476 147 Q N 0.918 120.508 119.800 -0.349 0.000 2.372 147 Q HA 0.484 4.824 4.340 -0.000 0.000 0.273 147 Q C -1.350 174.440 176.000 -0.350 0.000 1.078 147 Q CA -0.533 54.981 55.803 -0.481 0.000 0.806 147 Q CB 3.149 31.277 28.738 -1.017 0.000 1.332 147 Q HN 0.384 nan 8.270 nan 0.000 0.435 148 R N 2.137 122.467 120.500 -0.284 0.000 2.229 148 R HA 0.510 4.850 4.340 -0.000 0.000 0.328 148 R C -1.188 175.085 176.300 -0.044 0.000 1.009 148 R CA -0.533 55.495 56.100 -0.120 0.000 0.864 148 R CB 0.430 30.700 30.300 -0.050 0.000 1.085 148 R HN 0.451 nan 8.270 nan 0.000 0.453 149 L N 6.086 127.354 121.223 0.075 0.000 2.415 149 L HA 0.259 4.599 4.340 -0.000 0.000 0.268 149 L C -1.357 175.546 176.870 0.055 0.000 0.984 149 L CA -0.725 54.181 54.840 0.110 0.000 0.853 149 L CB 0.992 43.202 42.059 0.252 0.000 1.215 149 L HN 0.605 nan 8.230 nan 0.000 0.419 150 Y N 4.837 124.984 120.300 -0.255 0.000 2.805 150 Y HA 0.355 4.905 4.550 -0.000 0.000 0.331 150 Y C 0.030 175.716 175.900 -0.358 0.000 1.241 150 Y CA 0.929 58.623 58.100 -0.677 0.000 1.546 150 Y CB 0.410 38.586 38.460 -0.474 0.000 1.248 150 Y HN 0.798 nan 8.280 nan 0.000 0.559 151 A N 5.890 128.313 122.820 -0.661 0.000 2.480 151 A HA 0.272 4.592 4.320 -0.000 0.000 0.289 151 A C 0.030 177.547 177.584 -0.111 0.000 1.044 151 A CA -0.880 51.049 52.037 -0.179 0.000 0.761 151 A CB 0.757 19.786 19.000 0.048 0.000 1.289 151 A HN 0.799 nan 8.150 nan 0.000 0.401 152 N N 1.246 119.916 118.700 -0.050 0.000 2.149 152 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 152 N C 2.044 177.632 175.510 0.129 0.000 1.019 152 N CA 2.071 55.161 53.050 0.066 0.000 0.857 152 N CB -0.081 38.492 38.487 0.143 0.000 0.997 152 N HN 0.860 nan 8.380 nan 0.000 0.426 153 S N -1.025 114.769 115.700 0.158 0.000 2.481 153 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 153 S C 2.027 176.810 174.600 0.306 0.000 0.996 153 S CA 0.932 59.298 58.200 0.277 0.000 0.942 153 S CB 0.037 63.427 63.200 0.317 0.000 0.768 153 S HN 0.186 nan 8.310 nan 0.000 0.520 154 S N 1.134 116.963 115.700 0.214 0.000 2.339 154 S HA 0.161 4.631 4.470 -0.000 0.000 0.213 154 S C 1.637 176.337 174.600 0.166 0.000 1.033 154 S CA 0.524 58.841 58.200 0.194 0.000 0.950 154 S CB -0.522 62.816 63.200 0.230 0.000 0.893 154 S HN 0.446 nan 8.310 nan 0.000 0.492 155 I N 2.134 122.804 120.570 0.166 0.000 2.361 155 I HA 0.027 4.197 4.170 -0.000 0.000 0.251 155 I C 2.068 178.262 176.117 0.128 0.000 1.133 155 I CA 1.621 62.996 61.300 0.125 0.000 1.413 155 I CB -0.938 37.134 38.000 0.121 0.000 1.073 155 I HN 0.384 nan 8.210 nan 0.000 0.424 156 G N 0.400 109.248 108.800 0.081 0.000 2.421 156 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 156 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 156 G C 1.602 176.464 174.900 -0.064 0.000 1.171 156 G CA 0.999 46.084 45.100 -0.026 0.000 0.775 156 G HN 0.430 nan 8.290 nan 0.000 0.543 157 L N -0.218 121.016 121.223 0.019 0.000 2.046 157 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 157 L C 2.439 179.265 176.870 -0.073 0.000 1.077 157 L CA 1.518 56.305 54.840 -0.088 0.000 0.747 157 L CB -0.733 41.225 42.059 -0.167 0.000 0.896 157 L HN 0.234 nan 8.230 nan 0.000 0.432 158 F N 0.377 120.269 119.950 -0.097 0.000 2.091 158 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 158 F C 2.172 177.912 175.800 -0.100 0.000 1.103 158 F CA 1.916 59.861 58.000 -0.092 0.000 1.228 158 F CB -1.031 37.925 39.000 -0.072 0.000 0.984 158 F HN 0.122 nan 8.300 nan 0.000 0.477 159 G N -0.412 108.287 108.800 -0.170 0.000 2.418 159 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 159 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 159 G C 1.826 176.578 174.900 -0.247 0.000 1.158 159 G CA 0.920 45.895 45.100 -0.208 0.000 0.771 159 G HN 0.661 nan 8.290 nan 0.000 0.545 160 A N 0.434 123.050 122.820 -0.340 0.000 1.902 160 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 160 A C 2.419 179.825 177.584 -0.297 0.000 1.181 160 A CA 1.284 53.134 52.037 -0.312 0.000 0.623 160 A CB -0.335 18.444 19.000 -0.369 0.000 0.818 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 L N -1.177 119.842 121.223 -0.339 0.000 2.179 161 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 161 L C 3.003 179.633 176.870 -0.401 0.000 1.096 161 L CA 0.730 55.382 54.840 -0.313 0.000 0.779 161 L CB -0.553 41.373 42.059 -0.223 0.000 0.922 161 L HN 0.413 nan 8.230 nan 0.000 0.443 162 A N 0.435 122.924 122.820 -0.551 0.000 1.978 162 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 162 A C 2.157 179.526 177.584 -0.359 0.000 1.170 162 A CA 1.965 53.636 52.037 -0.610 0.000 0.636 162 A CB -0.712 17.765 19.000 -0.872 0.000 0.810 162 A HN 0.354 nan 8.150 nan 0.000 0.448 163 V N -3.980 115.787 119.914 -0.244 0.000 3.608 163 V HA 0.077 4.197 4.120 -0.000 0.000 0.269 163 V C 1.726 177.743 176.094 -0.130 0.000 1.245 163 V CA 1.004 63.205 62.300 -0.164 0.000 1.138 163 V CB -0.391 31.366 31.823 -0.110 0.000 0.841 163 V HN 0.298 nan 8.190 nan 0.000 0.451 164 K N 1.366 121.686 120.400 -0.134 0.000 2.009 164 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 164 K C 0.243 176.825 176.600 -0.029 0.000 1.049 164 K CA 2.200 58.442 56.287 -0.075 0.000 0.929 164 K CB -1.615 30.857 32.500 -0.046 0.000 0.714 164 K HN 0.470 nan 8.250 nan 0.000 0.440 165 P HA -0.143 nan 4.420 nan 0.000 0.218 165 P C 1.461 178.752 177.300 -0.016 0.000 1.148 165 P CA 1.587 64.700 63.100 0.022 0.000 0.822 165 P CB -0.098 31.634 31.700 0.054 0.000 0.784 166 S N -1.354 114.317 115.700 -0.048 0.000 2.442 166 S HA -0.006 4.464 4.470 -0.000 0.000 0.236 166 S C 1.940 176.509 174.600 -0.052 0.000 1.007 166 S CA 1.163 59.329 58.200 -0.057 0.000 0.965 166 S CB -1.632 61.516 63.200 -0.087 0.000 0.773 166 S HN 0.314 nan 8.310 nan 0.000 0.504 167 G N 0.668 109.438 108.800 -0.049 0.000 2.189 167 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 167 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 167 G C 0.020 174.886 174.900 -0.055 0.000 0.975 167 G CA 0.627 45.700 45.100 -0.045 0.000 0.644 167 G HN 0.600 nan 8.290 nan 0.000 0.537 168 L N 1.619 122.798 121.223 -0.072 0.000 2.399 168 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 168 L C 1.532 178.353 176.870 -0.080 0.000 1.114 168 L CA -0.218 54.572 54.840 -0.083 0.000 0.804 168 L CB 1.257 43.249 42.059 -0.112 0.000 1.146 168 L HN 0.397 nan 8.230 nan 0.000 0.451 169 S N 0.705 116.364 115.700 -0.070 0.000 2.580 169 S HA -0.004 4.466 4.470 -0.000 0.000 0.266 169 S C 0.886 175.455 174.600 -0.051 0.000 1.354 169 S CA -0.318 57.856 58.200 -0.044 0.000 1.008 169 S CB 0.379 63.560 63.200 -0.032 0.000 0.898 169 S HN 0.546 nan 8.310 nan 0.000 0.555 170 F N 1.184 121.042 119.950 -0.153 0.000 2.095 170 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 170 F C 2.512 178.199 175.800 -0.189 0.000 1.104 170 F CA 2.289 60.183 58.000 -0.178 0.000 1.232 170 F CB -0.430 38.464 39.000 -0.177 0.000 0.987 170 F HN 0.943 nan 8.300 nan 0.000 0.475 171 E N -0.581 119.588 120.200 -0.053 0.000 2.051 171 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 171 E C 2.196 178.645 176.600 -0.251 0.000 0.991 171 E CA 1.273 57.586 56.400 -0.145 0.000 0.799 171 E CB -0.099 29.599 29.700 -0.003 0.000 0.748 171 E HN 0.388 nan 8.360 nan 0.000 0.449 172 Q N -0.036 119.656 119.800 -0.180 0.000 2.124 172 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 172 Q C 2.082 177.925 176.000 -0.262 0.000 0.977 172 Q CA 1.385 57.079 55.803 -0.181 0.000 0.850 172 Q CB -0.419 28.250 28.738 -0.114 0.000 0.901 172 Q HN 0.374 nan 8.270 nan 0.000 0.429 173 A N 0.532 123.164 122.820 -0.313 0.000 1.877 173 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 173 A C 2.145 179.436 177.584 -0.488 0.000 1.186 173 A CA 1.857 53.681 52.037 -0.355 0.000 0.620 173 A CB -0.467 18.317 19.000 -0.361 0.000 0.822 173 A HN 0.338 nan 8.150 nan 0.000 0.443 174 M N -0.166 119.004 119.600 -0.716 0.000 2.086 174 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 174 M C 2.156 177.851 176.300 -1.009 0.000 1.067 174 M CA 1.971 56.699 55.300 -0.953 0.000 1.116 174 M CB -0.617 31.258 32.600 -1.209 0.000 1.348 174 M HN 0.529 nan 8.290 nan 0.000 0.407 175 Q N -1.082 118.262 119.800 -0.761 0.000 2.020 175 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 175 Q C 1.932 177.747 176.000 -0.309 0.000 0.982 175 Q CA 2.414 57.922 55.803 -0.493 0.000 0.838 175 Q CB -0.483 28.084 28.738 -0.284 0.000 0.899 175 Q HN 0.767 nan 8.270 nan 0.000 0.423 176 T N -1.891 112.505 114.554 -0.264 0.000 2.985 176 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 176 T C 1.688 176.297 174.700 -0.152 0.000 1.076 176 T CA 0.573 62.571 62.100 -0.171 0.000 1.135 176 T CB 0.038 68.822 68.868 -0.140 0.000 0.890 176 T HN 0.138 nan 8.240 nan 0.000 0.480 177 R N -0.113 120.268 120.500 -0.199 0.000 2.254 177 R HA 0.381 4.721 4.340 -0.000 0.000 0.193 177 R C 1.609 177.849 176.300 -0.100 0.000 0.929 177 R CA 0.253 56.268 56.100 -0.142 0.000 1.038 177 R CB 0.419 30.624 30.300 -0.158 0.000 1.009 177 R HN 0.290 nan 8.270 nan 0.000 0.512 178 V N -0.947 118.875 119.914 -0.154 0.000 3.134 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.222 178 V C 1.402 177.567 176.094 0.118 0.000 1.247 178 V CA 0.467 62.762 62.300 -0.008 0.000 1.281 178 V CB -0.334 31.474 31.823 -0.025 0.000 1.169 178 V HN -0.027 nan 8.190 nan 0.000 0.512 179 F N 1.537 121.413 119.950 -0.123 0.000 2.102 179 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 179 F C 2.610 178.326 175.800 -0.140 0.000 1.105 179 F CA 1.479 59.372 58.000 -0.179 0.000 1.239 179 F CB -1.212 37.571 39.000 -0.363 0.000 0.991 179 F HN 0.203 nan 8.300 nan 0.000 0.474 180 Q N -0.235 119.589 119.800 0.040 0.000 2.046 180 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 180 Q C -0.287 175.714 176.000 0.002 0.000 0.975 180 Q CA 1.634 57.426 55.803 -0.018 0.000 0.836 180 Q CB -1.507 27.195 28.738 -0.059 0.000 0.896 180 Q HN 0.265 nan 8.270 nan 0.000 0.428 181 P HA -0.160 nan 4.420 nan 0.000 0.218 181 P C 0.670 177.999 177.300 0.048 0.000 1.148 181 P CA 1.248 64.361 63.100 0.022 0.000 0.822 181 P CB 0.032 31.747 31.700 0.024 0.000 0.784 182 L N -1.518 119.761 121.223 0.092 0.000 2.592 182 L HA 0.155 4.495 4.340 -0.000 0.000 0.227 182 L C 0.412 177.333 176.870 0.086 0.000 1.127 182 L CA 0.082 54.994 54.840 0.120 0.000 0.884 182 L CB -0.629 41.572 42.059 0.236 0.000 1.065 182 L HN -0.049 nan 8.230 nan 0.000 0.457 183 K N 0.847 121.273 120.400 0.042 0.000 3.125 183 K HA -0.165 4.155 4.320 -0.000 0.000 0.268 183 K C -0.303 176.290 176.600 -0.011 0.000 1.078 183 K CA 0.384 56.673 56.287 0.004 0.000 0.775 183 K CB -1.859 30.647 32.500 0.010 0.000 1.253 183 K HN 0.331 nan 8.250 nan 0.000 0.486 184 L N 1.357 122.559 121.223 -0.034 0.000 2.387 184 L HA 0.127 4.466 4.340 -0.000 0.000 0.267 184 L C 0.954 177.651 176.870 -0.287 0.000 1.197 184 L CA -0.466 54.296 54.840 -0.130 0.000 1.070 184 L CB 0.101 42.051 42.059 -0.182 0.000 1.349 184 L HN 0.136 nan 8.230 nan 0.000 0.422 185 N N 0.178 118.731 118.700 -0.245 0.000 2.398 185 N HA -0.005 4.735 4.740 -0.000 0.000 0.188 185 N C 0.555 175.652 175.510 -0.687 0.000 1.122 185 N CA 0.571 53.370 53.050 -0.418 0.000 0.866 185 N CB 0.223 38.496 38.487 -0.357 0.000 0.970 185 N HN 0.465 nan 8.380 nan 0.000 0.462 186 H N -1.078 117.882 119.070 -0.183 0.000 2.676 186 H HA 0.299 4.855 4.556 -0.000 0.000 0.238 186 H C -0.432 174.773 175.328 -0.205 0.000 1.276 186 H CA -0.075 55.932 56.048 -0.069 0.000 0.983 186 H CB 0.338 30.096 29.762 -0.007 0.000 2.000 186 H HN -0.142 nan 8.280 nan 0.000 0.584 187 T N 0.787 114.999 114.554 -0.570 0.000 2.841 187 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 187 T C -0.837 173.153 174.700 -1.183 0.000 0.991 187 T CA -0.453 61.138 62.100 -0.848 0.000 0.966 187 T CB 1.485 69.622 68.868 -1.219 0.000 0.962 187 T HN 0.237 nan 8.240 nan 0.000 0.438 188 W N 2.037 123.008 121.300 -0.548 0.000 3.138 188 W HA 0.521 5.181 4.660 0.000 0.000 0.331 188 W C 0.657 177.045 176.519 -0.219 0.000 1.166 188 W CA -0.819 56.349 57.345 -0.294 0.000 1.212 188 W CB 1.121 30.415 29.460 -0.276 0.000 1.399 188 W HN 0.519 nan 8.180 nan 0.000 0.514 189 I N 1.671 122.358 120.570 0.195 0.000 2.333 189 I HA -0.107 4.063 4.170 -0.000 0.000 0.246 189 I C 0.435 176.581 176.117 0.048 0.000 1.106 189 I CA 1.022 62.380 61.300 0.096 0.000 1.411 189 I CB -0.066 38.003 38.000 0.116 0.000 1.082 189 I HN 0.282 nan 8.210 nan 0.000 0.420 190 N N 1.201 119.966 118.700 0.109 0.000 2.479 190 N HA 0.243 4.983 4.740 -0.000 0.000 0.261 190 N C -0.887 174.524 175.510 -0.164 0.000 0.979 190 N CA -0.237 52.797 53.050 -0.027 0.000 0.930 190 N CB 2.573 41.050 38.487 -0.017 0.000 1.172 190 N HN -0.194 nan 8.380 nan 0.000 0.499 191 V N 4.800 124.519 119.914 -0.325 0.000 2.479 191 V HA 0.119 4.239 4.120 -0.000 0.000 0.281 191 V C -1.477 174.272 176.094 -0.574 0.000 1.031 191 V CA -0.803 61.159 62.300 -0.564 0.000 1.038 191 V CB 0.220 31.645 31.823 -0.663 0.000 0.981 191 V HN 0.509 nan 8.190 nan 0.000 0.478 192 P HA 0.294 nan 4.420 nan 0.000 0.276 192 P C -2.315 174.752 177.300 -0.387 0.000 1.252 192 P CA -1.935 60.791 63.100 -0.624 0.000 0.802 192 P CB 0.539 31.726 31.700 -0.856 0.000 1.035 193 P HA -0.195 nan 4.420 nan 0.000 0.216 193 P C 1.436 178.655 177.300 -0.135 0.000 1.150 193 P CA 2.230 65.240 63.100 -0.151 0.000 0.843 193 P CB -0.457 31.178 31.700 -0.107 0.000 0.787 194 A N -0.393 122.333 122.820 -0.155 0.000 2.070 194 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 194 A C 1.964 179.493 177.584 -0.091 0.000 1.159 194 A CA 1.394 53.371 52.037 -0.101 0.000 0.656 194 A CB -0.722 18.229 19.000 -0.082 0.000 0.800 194 A HN 0.109 nan 8.150 nan 0.000 0.453 195 E N -0.413 119.688 120.200 -0.165 0.000 2.474 195 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 195 E C 1.309 177.854 176.600 -0.092 0.000 1.039 195 E CA 0.107 56.430 56.400 -0.127 0.000 0.881 195 E CB -0.001 29.565 29.700 -0.223 0.000 0.970 195 E HN 0.746 nan 8.360 nan 0.000 0.486 196 E N 1.318 121.469 120.200 -0.083 0.000 2.118 196 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 196 E C 1.959 178.572 176.600 0.022 0.000 0.992 196 E CA 1.324 57.716 56.400 -0.014 0.000 0.804 196 E CB -0.120 29.573 29.700 -0.012 0.000 0.741 196 E HN 0.244 nan 8.360 nan 0.000 0.458 197 K N 0.474 120.882 120.400 0.013 0.000 2.280 197 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 197 K C 1.016 177.636 176.600 0.034 0.000 1.047 197 K CA 1.692 57.997 56.287 0.031 0.000 0.942 197 K CB -0.149 32.365 32.500 0.023 0.000 0.739 197 K HN 0.067 nan 8.250 nan 0.000 0.457 198 N N -0.529 118.187 118.700 0.026 0.000 2.236 198 N HA 0.002 4.742 4.740 -0.000 0.000 0.196 198 N C -0.817 174.723 175.510 0.050 0.000 1.114 198 N CA -0.380 52.685 53.050 0.026 0.000 0.859 198 N CB 0.280 38.771 38.487 0.006 0.000 0.982 198 N HN 0.210 nan 8.380 nan 0.000 0.493 199 Y N 2.275 122.491 120.300 -0.139 0.000 2.504 199 Y HA 0.369 4.919 4.550 -0.000 0.000 0.351 199 Y C 0.265 176.056 175.900 -0.181 0.000 0.988 199 Y CA -1.452 56.520 58.100 -0.214 0.000 1.239 199 Y CB 0.234 38.495 38.460 -0.331 0.000 1.128 199 Y HN -0.019 nan 8.280 nan 0.000 0.525 200 A N 6.128 128.976 122.820 0.047 0.000 2.520 200 A HA -0.050 4.270 4.320 -0.000 0.000 0.235 200 A C -0.940 176.646 177.584 0.004 0.000 1.065 200 A CA -0.129 51.918 52.037 0.018 0.000 0.764 200 A CB 0.200 19.158 19.000 -0.070 0.000 1.002 200 A HN 0.931 nan 8.150 nan 0.000 0.502 201 W N 0.880 122.198 121.300 0.030 0.000 2.218 201 W HA 0.467 5.127 4.660 0.000 0.000 0.326 201 W C 0.954 177.211 176.519 -0.437 0.000 1.276 201 W CA 0.632 57.807 57.345 -0.284 0.000 1.210 201 W CB 0.943 30.076 29.460 -0.544 0.000 1.143 201 W HN 0.935 nan 8.180 nan 0.000 0.563 202 G N 1.409 110.037 108.800 -0.287 0.000 2.476 202 G HA2 0.485 4.445 3.960 -0.000 0.000 0.286 202 G HA3 0.485 4.445 3.960 -0.000 0.000 0.286 202 G C -2.102 172.391 174.900 -0.678 0.000 1.177 202 G CA -0.520 44.124 45.100 -0.760 0.000 0.870 202 G HN 0.430 nan 8.290 nan 0.000 0.528 203 Y N -0.175 120.036 120.300 -0.149 0.000 2.338 203 Y HA 0.522 5.072 4.550 -0.000 0.000 0.333 203 Y C 0.460 176.349 175.900 -0.018 0.000 0.968 203 Y CA -0.782 57.286 58.100 -0.053 0.000 1.123 203 Y CB 2.148 40.584 38.460 -0.040 0.000 1.165 203 Y HN 0.470 nan 8.280 nan 0.000 0.452 204 R N 2.800 123.354 120.500 0.090 0.000 2.451 204 R HA 0.308 4.648 4.340 -0.000 0.000 0.307 204 R C -0.622 175.719 176.300 0.068 0.000 0.965 204 R CA -0.404 55.742 56.100 0.076 0.000 0.865 204 R CB 0.699 31.032 30.300 0.055 0.000 1.174 204 R HN 0.913 nan 8.270 nan 0.000 0.455 205 E N 2.688 122.928 120.200 0.067 0.000 2.360 205 E HA -0.265 4.084 4.350 -0.000 0.000 0.238 205 E C 0.543 177.175 176.600 0.053 0.000 1.186 205 E CA 0.723 57.152 56.400 0.049 0.000 0.719 205 E CB -1.179 28.541 29.700 0.033 0.000 1.236 205 E HN 1.183 nan 8.360 nan 0.000 0.386 206 G N -0.123 108.730 108.800 0.087 0.000 2.184 206 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 206 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 206 G C 0.154 175.140 174.900 0.144 0.000 0.975 206 G CA 0.918 46.077 45.100 0.100 0.000 0.642 206 G HN 0.291 nan 8.290 nan 0.000 0.536 207 K N 0.586 121.047 120.400 0.102 0.000 2.159 207 K HA 0.687 5.007 4.320 -0.000 0.000 0.266 207 K C 0.409 176.949 176.600 -0.099 0.000 0.975 207 K CA -0.076 56.217 56.287 0.010 0.000 0.865 207 K CB 1.865 34.345 32.500 -0.033 0.000 1.087 207 K HN 0.440 nan 8.250 nan 0.000 0.446 208 A N 2.516 125.162 122.820 -0.290 0.000 2.451 208 A HA 0.367 4.687 4.320 -0.000 0.000 0.266 208 A C 0.004 177.351 177.584 -0.394 0.000 1.119 208 A CA -0.380 51.256 52.037 -0.668 0.000 0.786 208 A CB -0.234 18.183 19.000 -0.970 0.000 1.061 208 A HN 0.540 nan 8.150 nan 0.000 0.503 209 V N 1.110 120.925 119.914 -0.164 0.000 2.971 209 V HA 0.690 4.810 4.120 -0.000 0.000 0.309 209 V C -0.720 175.478 176.094 0.174 0.000 1.130 209 V CA -0.838 61.496 62.300 0.057 0.000 0.964 209 V CB 1.244 33.092 31.823 0.042 0.000 1.029 209 V HN 0.947 nan 8.190 nan 0.000 0.427 210 H N 0.840 120.061 119.070 0.252 0.000 2.621 210 H HA 0.676 5.232 4.556 -0.000 0.000 0.360 210 H C -0.351 175.076 175.328 0.165 0.000 1.163 210 H CA -0.993 55.132 56.048 0.129 0.000 1.194 210 H CB 2.260 31.962 29.762 -0.101 0.000 1.649 210 H HN 0.801 nan 8.280 nan 0.000 0.532 211 V N 2.360 122.468 119.914 0.324 0.000 2.720 211 V HA -0.057 4.063 4.120 -0.000 0.000 0.307 211 V C -0.119 176.101 176.094 0.209 0.000 1.071 211 V CA 0.517 62.962 62.300 0.242 0.000 1.199 211 V CB 0.606 32.575 31.823 0.242 0.000 0.900 211 V HN 0.751 nan 8.190 nan 0.000 0.494 212 S N 7.436 123.243 115.700 0.177 0.000 2.601 212 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 212 S C -2.265 172.427 174.600 0.153 0.000 1.305 212 S CA -0.685 57.601 58.200 0.144 0.000 1.022 212 S CB 1.130 64.395 63.200 0.109 0.000 0.940 212 S HN 0.834 nan 8.310 nan 0.000 0.525 213 P HA 0.422 nan 4.420 nan 0.000 0.269 213 P C -0.179 177.177 177.300 0.094 0.000 1.209 213 P CA -0.070 63.080 63.100 0.083 0.000 0.776 213 P CB 0.406 32.135 31.700 0.049 0.000 0.876 214 G N 0.113 108.962 108.800 0.081 0.000 2.677 214 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 214 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 214 G C -1.404 173.501 174.900 0.008 0.000 1.435 214 G CA -0.551 44.600 45.100 0.084 0.000 0.826 214 G HN 0.533 nan 8.290 nan 0.000 0.491 215 A N 0.207 123.024 122.820 -0.006 0.000 2.520 215 A HA 0.529 4.849 4.320 -0.000 0.000 0.245 215 A C 1.385 178.928 177.584 -0.068 0.000 1.072 215 A CA 0.530 52.542 52.037 -0.040 0.000 0.761 215 A CB -0.432 18.542 19.000 -0.043 0.000 1.004 215 A HN 1.736 nan 8.150 nan 0.000 0.499 216 L N 0.432 121.578 121.223 -0.128 0.000 4.179 216 L HA -0.329 4.011 4.340 -0.000 0.000 0.418 216 L C 1.309 177.956 176.870 -0.372 0.000 1.168 216 L CA 0.669 55.382 54.840 -0.211 0.000 0.972 216 L CB -1.774 40.226 42.059 -0.099 0.000 2.005 216 L HN 1.012 nan 8.230 nan 0.000 0.935 217 D N 0.395 120.526 120.400 -0.448 0.000 2.097 217 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 217 D C 1.968 177.814 176.300 -0.756 0.000 0.989 217 D CA 1.566 54.998 54.000 -0.945 0.000 0.827 217 D CB -0.176 40.274 40.800 -0.584 0.000 0.966 217 D HN 0.441 nan 8.370 nan 0.000 0.456 218 A N 0.808 123.369 122.820 -0.433 0.000 1.917 218 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 218 A C 2.136 179.500 177.584 -0.367 0.000 1.182 218 A CA 2.174 54.042 52.037 -0.282 0.000 0.633 218 A CB -0.740 18.174 19.000 -0.144 0.000 0.819 218 A HN 0.261 nan 8.150 nan 0.000 0.448 219 E N -0.598 119.196 120.200 -0.677 0.000 2.158 219 E HA 0.172 4.522 4.350 -0.000 0.000 0.191 219 E C 1.979 178.413 176.600 -0.275 0.000 0.982 219 E CA 1.136 57.060 56.400 -0.793 0.000 0.823 219 E CB -0.208 28.964 29.700 -0.879 0.000 0.766 219 E HN 0.598 nan 8.360 nan 0.000 0.468 220 A N -0.311 122.359 122.820 -0.251 0.000 2.035 220 A HA 0.090 4.410 4.320 -0.000 0.000 0.208 220 A C 0.829 178.487 177.584 0.123 0.000 1.206 220 A CA 0.594 52.617 52.037 -0.023 0.000 0.773 220 A CB -0.002 19.048 19.000 0.084 0.000 0.878 220 A HN 0.407 nan 8.150 nan 0.000 0.469 221 Y N -4.214 116.097 120.300 0.019 0.000 2.998 221 Y HA 0.483 5.033 4.550 -0.000 0.000 0.264 221 Y C 0.809 176.728 175.900 0.032 0.000 1.092 221 Y CA -0.417 57.711 58.100 0.047 0.000 1.247 221 Y CB -0.371 38.123 38.460 0.057 0.000 1.283 221 Y HN -0.004 nan 8.280 nan 0.000 0.605 222 G N 0.789 109.543 108.800 -0.077 0.000 3.337 222 G HA2 0.392 4.352 3.960 -0.000 0.000 0.246 222 G HA3 0.392 4.352 3.960 -0.000 0.000 0.246 222 G C -0.338 174.540 174.900 -0.037 0.000 1.131 222 G CA 0.029 45.081 45.100 -0.079 0.000 0.773 222 G HN 0.117 nan 8.290 nan 0.000 0.544 223 V N 0.472 120.366 119.914 -0.033 0.000 2.567 223 V HA 0.452 4.572 4.120 -0.000 0.000 0.289 223 V C -0.357 175.642 176.094 -0.158 0.000 1.049 223 V CA -0.607 61.612 62.300 -0.135 0.000 0.969 223 V CB 1.567 33.217 31.823 -0.287 0.000 0.995 223 V HN 0.135 nan 8.190 nan 0.000 0.471 224 K N 2.355 122.618 120.400 -0.229 0.000 2.270 224 K HA 0.783 5.103 4.320 -0.000 0.000 0.255 224 K C -0.559 175.906 176.600 -0.225 0.000 0.936 224 K CA -0.160 55.983 56.287 -0.241 0.000 0.809 224 K CB 1.991 34.239 32.500 -0.420 0.000 1.131 224 K HN 0.699 nan 8.250 nan 0.000 0.427 225 S N 0.357 115.998 115.700 -0.098 0.000 2.596 225 S HA 0.598 5.068 4.470 -0.000 0.000 0.270 225 S C -1.078 173.594 174.600 0.121 0.000 1.155 225 S CA -0.733 57.426 58.200 -0.068 0.000 0.827 225 S CB 1.021 64.140 63.200 -0.135 0.000 1.130 225 S HN 0.676 nan 8.310 nan 0.000 0.467 226 T N 0.383 115.007 114.554 0.118 0.000 2.912 226 T HA 0.502 4.852 4.350 -0.000 0.000 0.280 226 T C 1.263 176.086 174.700 0.204 0.000 0.989 226 T CA -0.533 61.684 62.100 0.196 0.000 0.995 226 T CB 0.739 69.664 68.868 0.095 0.000 1.077 226 T HN 0.441 nan 8.240 nan 0.000 0.531 227 I N 0.638 121.344 120.570 0.227 0.000 2.394 227 I HA -0.032 4.138 4.170 -0.000 0.000 0.251 227 I C 2.332 178.603 176.117 0.256 0.000 1.136 227 I CA 1.414 62.858 61.300 0.239 0.000 1.425 227 I CB -0.593 37.572 38.000 0.276 0.000 1.079 227 I HN 0.811 nan 8.210 nan 0.000 0.425 228 E N -0.036 120.216 120.200 0.086 0.000 2.072 228 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 228 E C 1.647 178.346 176.600 0.166 0.000 0.985 228 E CA 1.377 57.816 56.400 0.064 0.000 0.801 228 E CB -0.137 29.476 29.700 -0.145 0.000 0.750 228 E HN 0.477 nan 8.360 nan 0.000 0.452 229 D N 0.177 120.654 120.400 0.130 0.000 2.144 229 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 229 D C 1.836 178.267 176.300 0.218 0.000 0.978 229 D CA 0.871 54.948 54.000 0.128 0.000 0.833 229 D CB -0.004 40.813 40.800 0.028 0.000 0.961 229 D HN 0.071 nan 8.370 nan 0.000 0.470 230 M N 0.337 120.083 119.600 0.242 0.000 2.229 230 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 230 M C 2.214 178.706 176.300 0.319 0.000 1.063 230 M CA 0.647 56.146 55.300 0.331 0.000 1.114 230 M CB -1.037 31.740 32.600 0.295 0.000 1.387 230 M HN -0.024 nan 8.290 nan 0.000 0.420 231 A N 0.216 123.201 122.820 0.276 0.000 1.902 231 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 231 A C 2.364 180.029 177.584 0.136 0.000 1.181 231 A CA 1.499 53.654 52.037 0.197 0.000 0.623 231 A CB -0.581 18.563 19.000 0.240 0.000 0.818 231 A HN 0.443 nan 8.150 nan 0.000 0.443 232 R N -1.704 118.904 120.500 0.181 0.000 2.092 232 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 232 R C 2.163 178.570 176.300 0.178 0.000 1.119 232 R CA 1.354 57.540 56.100 0.143 0.000 0.970 232 R CB -0.352 30.041 30.300 0.155 0.000 0.864 232 R HN 0.871 nan 8.270 nan 0.000 0.440 233 W N 0.918 122.245 121.300 0.045 0.000 2.358 233 W HA -0.192 4.468 4.660 0.000 0.000 0.303 233 W C 1.479 177.937 176.519 -0.101 0.000 1.208 233 W CA 1.151 58.511 57.345 0.025 0.000 1.274 233 W CB 0.015 29.542 29.460 0.113 0.000 1.138 233 W HN -0.115 nan 8.180 nan 0.000 0.515 234 V N 1.361 121.201 119.914 -0.123 0.000 2.343 234 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 234 V C 2.386 178.148 176.094 -0.553 0.000 1.051 234 V CA 2.245 64.261 62.300 -0.474 0.000 1.036 234 V CB -1.110 30.565 31.823 -0.247 0.000 0.654 234 V HN 0.240 nan 8.190 nan 0.000 0.451 235 Q N -0.089 119.539 119.800 -0.287 0.000 2.096 235 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 235 Q C 2.487 178.306 176.000 -0.302 0.000 0.982 235 Q CA 2.082 57.733 55.803 -0.254 0.000 0.850 235 Q CB -0.292 28.370 28.738 -0.128 0.000 0.901 235 Q HN 0.621 nan 8.270 nan 0.000 0.422 236 S N 0.774 116.303 115.700 -0.285 0.000 2.383 236 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 236 S C 1.503 175.843 174.600 -0.434 0.000 1.026 236 S CA 0.905 58.940 58.200 -0.275 0.000 0.981 236 S CB -0.153 62.952 63.200 -0.159 0.000 0.818 236 S HN 0.375 nan 8.310 nan 0.000 0.472 237 N N 1.065 119.334 118.700 -0.720 0.000 2.416 237 N HA 0.144 4.883 4.740 -0.000 0.000 0.177 237 N C 1.560 176.606 175.510 -0.773 0.000 1.036 237 N CA 0.444 52.994 53.050 -0.834 0.000 0.901 237 N CB -0.106 37.648 38.487 -1.222 0.000 0.976 237 N HN 0.331 nan 8.380 nan 0.000 0.444 238 L N 0.315 121.061 121.223 -0.795 0.000 2.109 238 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 238 L C 1.113 177.817 176.870 -0.276 0.000 1.086 238 L CA 1.084 55.633 54.840 -0.485 0.000 0.760 238 L CB 0.099 41.904 42.059 -0.423 0.000 0.910 238 L HN -0.056 nan 8.230 nan 0.000 0.437 239 K N -0.692 119.551 120.400 -0.263 0.000 3.029 239 K HA 0.187 4.507 4.320 -0.000 0.000 0.169 239 K C -1.943 174.566 176.600 -0.152 0.000 1.090 239 K CA -1.097 55.085 56.287 -0.175 0.000 0.883 239 K CB 1.032 33.441 32.500 -0.152 0.000 1.080 239 K HN -0.165 nan 8.250 nan 0.000 0.613 240 P HA -0.149 nan 4.420 nan 0.000 0.225 240 P C 0.927 178.181 177.300 -0.077 0.000 1.148 240 P CA 0.814 63.845 63.100 -0.115 0.000 0.779 240 P CB 0.280 31.919 31.700 -0.103 0.000 0.780 241 L N -0.342 120.838 121.223 -0.073 0.000 2.376 241 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 241 L C 1.653 178.494 176.870 -0.049 0.000 1.133 241 L CA 1.065 55.872 54.840 -0.054 0.000 0.816 241 L CB -0.801 41.227 42.059 -0.052 0.000 0.933 241 L HN -0.107 nan 8.230 nan 0.000 0.449 242 D N -0.091 120.274 120.400 -0.058 0.000 2.363 242 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 242 D C 0.667 176.944 176.300 -0.038 0.000 0.994 242 D CA 0.524 54.494 54.000 -0.049 0.000 0.890 242 D CB 0.199 40.964 40.800 -0.058 0.000 0.906 242 D HN 0.071 nan 8.370 nan 0.000 0.530 243 I N 1.656 122.203 120.570 -0.037 0.000 2.416 243 I HA 0.033 4.203 4.170 -0.000 0.000 0.288 243 I C 1.341 177.448 176.117 -0.016 0.000 1.051 243 I CA -0.215 61.072 61.300 -0.022 0.000 1.375 243 I CB 0.780 38.769 38.000 -0.018 0.000 1.407 243 I HN -0.178 nan 8.210 nan 0.000 0.516 244 N N 4.038 122.732 118.700 -0.011 0.000 2.216 244 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 244 N C 0.187 175.692 175.510 -0.008 0.000 1.017 244 N CA 0.787 53.831 53.050 -0.010 0.000 0.861 244 N CB 0.105 38.586 38.487 -0.009 0.000 0.986 244 N HN 0.550 nan 8.380 nan 0.000 0.428 245 E N 1.239 121.437 120.200 -0.004 0.000 2.166 245 E HA 0.093 4.443 4.350 -0.000 0.000 0.279 245 E C 0.817 177.416 176.600 -0.003 0.000 1.095 245 E CA 0.022 56.420 56.400 -0.003 0.000 0.888 245 E CB 0.803 30.503 29.700 -0.001 0.000 1.041 245 E HN 0.135 nan 8.360 nan 0.000 0.414 246 K N 1.341 121.738 120.400 -0.005 0.000 2.032 246 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 246 K C 1.923 178.523 176.600 0.001 0.000 1.048 246 K CA 1.924 58.208 56.287 -0.004 0.000 0.927 246 K CB -0.219 32.277 32.500 -0.005 0.000 0.712 246 K HN 0.596 nan 8.250 nan 0.000 0.441 247 T N 0.036 114.591 114.554 0.001 0.000 2.951 247 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 247 T C 1.860 176.569 174.700 0.016 0.000 1.073 247 T CA 0.649 62.753 62.100 0.007 0.000 1.134 247 T CB -0.130 68.738 68.868 0.001 0.000 0.884 247 T HN 0.035 nan 8.240 nan 0.000 0.479 248 L N 1.185 122.417 121.223 0.016 0.000 2.072 248 L HA 0.125 4.465 4.340 -0.000 0.000 0.205 248 L C 2.809 179.697 176.870 0.030 0.000 1.079 248 L CA 1.741 56.601 54.840 0.034 0.000 0.752 248 L CB -1.038 41.045 42.059 0.040 0.000 0.906 248 L HN 0.386 nan 8.230 nan 0.000 0.436 249 Q N -0.716 119.090 119.800 0.011 0.000 2.077 249 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 249 Q C 2.137 178.137 176.000 0.001 0.000 0.989 249 Q CA 2.488 58.288 55.803 -0.005 0.000 0.853 249 Q CB -0.210 28.520 28.738 -0.013 0.000 0.907 249 Q HN 0.682 nan 8.270 nan 0.000 0.418 250 Q N -0.688 119.119 119.800 0.011 0.000 2.079 250 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 250 Q C 2.096 178.121 176.000 0.042 0.000 0.974 250 Q CA 1.131 56.946 55.803 0.020 0.000 0.840 250 Q CB -0.248 28.502 28.738 0.020 0.000 0.898 250 Q HN 0.597 nan 8.270 nan 0.000 0.430 251 G N 1.132 109.965 108.800 0.054 0.000 2.440 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G C 1.406 176.371 174.900 0.109 0.000 1.154 251 G CA 0.729 45.882 45.100 0.088 0.000 0.767 251 G HN 0.231 nan 8.290 nan 0.000 0.552 252 I N 0.273 120.888 120.570 0.075 0.000 2.226 252 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 252 I C 3.038 179.184 176.117 0.049 0.000 1.100 252 I CA 1.017 62.348 61.300 0.051 0.000 1.374 252 I CB -0.197 37.775 38.000 -0.048 0.000 1.057 252 I HN 0.142 nan 8.210 nan 0.000 0.413 253 Q N 0.543 120.358 119.800 0.024 0.000 2.084 253 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 253 Q C 2.421 178.451 176.000 0.050 0.000 0.978 253 Q CA 1.528 57.338 55.803 0.013 0.000 0.844 253 Q CB -0.390 28.345 28.738 -0.005 0.000 0.898 253 Q HN 0.558 nan 8.270 nan 0.000 0.426 254 L N 0.016 121.293 121.223 0.090 0.000 2.141 254 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 254 L C 2.345 179.361 176.870 0.243 0.000 1.094 254 L CA 0.860 55.789 54.840 0.148 0.000 0.763 254 L CB -0.534 41.622 42.059 0.162 0.000 0.908 254 L HN 0.101 nan 8.230 nan 0.000 0.437 255 A N -0.800 122.164 122.820 0.240 0.000 2.066 255 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 255 A C 2.049 179.856 177.584 0.371 0.000 1.157 255 A CA 0.953 53.188 52.037 0.330 0.000 0.670 255 A CB -0.196 19.029 19.000 0.374 0.000 0.804 255 A HN 0.463 nan 8.150 nan 0.000 0.453 256 Q N 0.067 120.002 119.800 0.225 0.000 2.280 256 Q HA 0.184 4.524 4.340 -0.000 0.000 0.201 256 Q C -0.123 175.894 176.000 0.029 0.000 0.890 256 Q CA -0.318 55.557 55.803 0.121 0.000 0.947 256 Q CB 0.377 29.111 28.738 -0.006 0.000 1.081 256 Q HN 0.496 nan 8.270 nan 0.000 0.502 257 S N 0.939 116.637 115.700 -0.003 0.000 2.579 257 S HA 0.207 4.677 4.470 -0.000 0.000 0.275 257 S C 0.053 174.446 174.600 -0.346 0.000 1.345 257 S CA -0.115 57.926 58.200 -0.264 0.000 1.031 257 S CB 0.566 63.475 63.200 -0.485 0.000 0.892 257 S HN 0.232 nan 8.310 nan 0.000 0.529 258 R N 1.489 121.755 120.500 -0.390 0.000 2.215 258 R HA 0.261 4.601 4.340 -0.000 0.000 0.336 258 R C -0.404 175.717 176.300 -0.299 0.000 0.996 258 R CA -0.155 55.828 56.100 -0.196 0.000 0.847 258 R CB 0.442 30.608 30.300 -0.223 0.000 1.127 258 R HN 0.689 nan 8.270 nan 0.000 0.465 259 Y N 0.589 120.893 120.300 0.006 0.000 2.479 259 Y HA 0.163 4.713 4.550 0.000 0.000 0.283 259 Y C 0.146 175.745 175.900 -0.502 0.000 1.109 259 Y CA 0.253 58.195 58.100 -0.263 0.000 1.239 259 Y CB 0.572 38.877 38.460 -0.259 0.000 1.108 259 Y HN 0.454 nan 8.280 nan 0.000 0.548 260 W N -0.057 121.415 121.300 0.287 0.000 3.127 260 W HA 0.552 5.212 4.660 0.000 0.000 0.330 260 W C -0.856 175.773 176.519 0.184 0.000 1.187 260 W CA -0.957 56.510 57.345 0.203 0.000 1.198 260 W CB 1.208 30.770 29.460 0.169 0.000 1.408 260 W HN -0.447 nan 8.180 nan 0.000 0.529 261 Q N 1.200 121.199 119.800 0.331 0.000 2.337 261 Q HA 0.688 5.028 4.340 -0.000 0.000 0.266 261 Q C -1.112 174.905 176.000 0.029 0.000 1.023 261 Q CA -0.340 55.481 55.803 0.031 0.000 0.829 261 Q CB 1.974 30.652 28.738 -0.100 0.000 1.306 261 Q HN 0.452 nan 8.270 nan 0.000 0.449 262 T N 3.035 117.555 114.554 -0.057 0.000 2.890 262 T HA 0.550 4.900 4.350 -0.000 0.000 0.295 262 T C 0.170 174.815 174.700 -0.091 0.000 0.993 262 T CA 0.222 62.297 62.100 -0.041 0.000 0.979 262 T CB 1.213 70.080 68.868 -0.001 0.000 0.967 262 T HN 1.002 nan 8.240 nan 0.000 0.441 263 G N 4.420 113.169 108.800 -0.085 0.000 2.622 263 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.307 263 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.307 263 G C 0.502 175.317 174.900 -0.142 0.000 1.226 263 G CA 0.748 45.795 45.100 -0.090 0.000 0.997 263 G HN 0.827 nan 8.290 nan 0.000 0.551 264 D N 0.040 120.366 120.400 -0.123 0.000 2.342 264 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 264 D C 1.064 177.263 176.300 -0.169 0.000 1.101 264 D CA 0.320 54.239 54.000 -0.135 0.000 0.837 264 D CB 0.126 40.885 40.800 -0.068 0.000 0.938 264 D HN 0.486 nan 8.370 nan 0.000 0.508 265 M N 0.663 120.141 119.600 -0.203 0.000 2.578 265 M HA 0.424 4.904 4.480 -0.000 0.000 0.321 265 M C -1.760 174.392 176.300 -0.247 0.000 1.182 265 M CA -0.640 54.611 55.300 -0.081 0.000 0.965 265 M CB 1.954 34.609 32.600 0.091 0.000 1.694 265 M HN -0.161 nan 8.290 nan 0.000 0.461 266 Y N 1.245 121.659 120.300 0.190 0.000 2.409 266 Y HA 0.404 4.954 4.550 0.000 0.000 0.343 266 Y C -0.333 175.729 175.900 0.270 0.000 0.973 266 Y CA -0.712 57.512 58.100 0.207 0.000 1.064 266 Y CB 1.654 40.202 38.460 0.146 0.000 1.207 266 Y HN 0.564 nan 8.280 nan 0.000 0.452 267 Q N 1.799 121.879 119.800 0.467 0.000 2.296 267 Q HA 0.570 4.910 4.340 -0.000 0.000 0.257 267 Q C -0.014 176.275 176.000 0.480 0.000 0.942 267 Q CA -0.205 55.867 55.803 0.449 0.000 0.939 267 Q CB 1.207 30.214 28.738 0.449 0.000 1.198 267 Q HN 0.897 nan 8.270 nan 0.000 0.429 268 G N 2.768 111.822 108.800 0.423 0.000 2.736 268 G HA2 0.465 4.425 3.960 -0.000 0.000 0.229 268 G HA3 0.465 4.425 3.960 -0.000 0.000 0.229 268 G C -0.888 174.174 174.900 0.269 0.000 1.380 268 G CA -0.829 44.545 45.100 0.457 0.000 1.040 268 G HN 0.601 nan 8.290 nan 0.000 0.568 269 L N 1.226 122.586 121.223 0.228 0.000 2.288 269 L HA 0.435 4.775 4.340 -0.000 0.000 0.283 269 L C 1.416 178.318 176.870 0.054 0.000 1.072 269 L CA 0.442 55.285 54.840 0.006 0.000 0.862 269 L CB 0.337 42.395 42.059 -0.002 0.000 1.245 269 L HN 1.041 nan 8.230 nan 0.000 0.432 270 G N 2.111 110.903 108.800 -0.013 0.000 4.039 270 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G C 0.037 174.962 174.900 0.042 0.000 1.391 270 G CA -0.164 44.923 45.100 -0.023 0.000 0.920 270 G HN 0.521 nan 8.290 nan 0.000 0.599 271 W N 2.492 123.913 121.300 0.202 0.000 2.170 271 W HA 0.541 5.201 4.660 -0.000 0.000 0.342 271 W C 0.874 177.532 176.519 0.233 0.000 1.294 271 W CA -0.088 57.376 57.345 0.198 0.000 1.246 271 W CB 0.356 29.906 29.460 0.150 0.000 1.156 271 W HN 0.349 nan 8.180 nan 0.000 0.572 272 E N 1.628 122.174 120.200 0.577 0.000 2.227 272 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 272 E C -0.837 176.064 176.600 0.502 0.000 0.907 272 E CA -1.165 55.542 56.400 0.511 0.000 0.786 272 E CB 1.738 31.734 29.700 0.493 0.000 1.191 272 E HN 0.180 nan 8.360 nan 0.000 0.411 273 M N 1.881 121.733 119.600 0.420 0.000 2.501 273 M HA 0.451 4.931 4.480 -0.000 0.000 0.293 273 M C -1.569 174.966 176.300 0.392 0.000 1.192 273 M CA -0.361 55.129 55.300 0.316 0.000 0.886 273 M CB 1.782 34.498 32.600 0.192 0.000 1.710 273 M HN 0.301 nan 8.290 nan 0.000 0.457 274 L N 0.461 121.880 121.223 0.326 0.000 2.350 274 L HA 0.570 4.910 4.340 -0.000 0.000 0.260 274 L C -0.660 176.382 176.870 0.287 0.000 1.015 274 L CA -0.732 54.304 54.840 0.327 0.000 0.821 274 L CB 1.712 43.879 42.059 0.181 0.000 1.370 274 L HN 0.542 nan 8.230 nan 0.000 0.416 275 D N 0.817 121.376 120.400 0.265 0.000 2.455 275 D HA -0.046 4.594 4.640 -0.000 0.000 0.241 275 D C -0.868 175.568 176.300 0.227 0.000 1.138 275 D CA 0.220 54.337 54.000 0.194 0.000 0.877 275 D CB 1.066 41.950 40.800 0.140 0.000 1.187 275 D HN 0.366 nan 8.370 nan 0.000 0.451 276 W N 4.626 125.981 121.300 0.091 0.000 2.417 276 W HA 0.268 4.927 4.660 -0.000 0.000 0.317 276 W C -2.328 174.238 176.519 0.078 0.000 1.121 276 W CA -1.776 55.637 57.345 0.114 0.000 1.208 276 W CB 1.129 30.667 29.460 0.130 0.000 1.253 276 W HN 0.228 nan 8.180 nan 0.000 0.533 277 P HA 0.160 nan 4.420 nan 0.000 0.278 277 P C -0.422 176.537 177.300 -0.569 0.000 1.238 277 P CA -0.099 62.177 63.100 -1.374 0.000 0.794 277 P CB 1.683 32.729 31.700 -1.090 0.000 0.955 278 V N -0.637 118.982 119.914 -0.492 0.000 2.837 278 V HA 0.496 4.616 4.120 -0.000 0.000 0.310 278 V C 0.203 176.084 176.094 -0.356 0.000 1.059 278 V CA -1.035 61.086 62.300 -0.298 0.000 1.004 278 V CB 1.209 32.849 31.823 -0.305 0.000 1.045 278 V HN 0.532 nan 8.190 nan 0.000 0.465 279 N N 3.936 122.436 118.700 -0.333 0.000 2.411 279 N HA 0.354 5.094 4.740 -0.000 0.000 0.259 279 N C -1.278 173.894 175.510 -0.564 0.000 1.103 279 N CA -2.208 50.614 53.050 -0.379 0.000 0.954 279 N CB 1.239 39.566 38.487 -0.267 0.000 1.085 279 N HN 0.539 nan 8.380 nan 0.000 0.485 280 P HA -0.120 nan 4.420 nan 0.000 0.216 280 P C 0.301 177.207 177.300 -0.657 0.000 1.150 280 P CA 1.088 63.471 63.100 -1.194 0.000 0.837 280 P CB 0.453 30.936 31.700 -2.028 0.000 0.786 281 D N -0.493 119.620 120.400 -0.478 0.000 2.178 281 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 281 D C 2.180 178.335 176.300 -0.242 0.000 0.980 281 D CA 1.037 54.857 54.000 -0.300 0.000 0.842 281 D CB -0.562 40.103 40.800 -0.225 0.000 0.948 281 D HN 0.154 nan 8.370 nan 0.000 0.472 282 S N 0.410 115.954 115.700 -0.259 0.000 2.355 282 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 282 S C 2.164 176.666 174.600 -0.163 0.000 1.031 282 S CA 1.057 59.143 58.200 -0.189 0.000 0.993 282 S CB -0.195 62.896 63.200 -0.181 0.000 0.859 282 S HN 0.404 nan 8.310 nan 0.000 0.453 283 I N -0.899 119.531 120.570 -0.232 0.000 2.439 283 I HA 0.009 4.179 4.170 -0.000 0.000 0.251 283 I C 2.082 178.153 176.117 -0.077 0.000 1.139 283 I CA 1.091 62.310 61.300 -0.135 0.000 1.438 283 I CB -0.550 37.286 38.000 -0.272 0.000 1.085 283 I HN 0.235 nan 8.210 nan 0.000 0.427 284 I N 2.035 122.509 120.570 -0.160 0.000 2.113 284 I HA -0.240 3.930 4.170 -0.000 0.000 0.238 284 I C 2.371 178.433 176.117 -0.091 0.000 1.070 284 I CA 1.563 62.792 61.300 -0.118 0.000 1.332 284 I CB -0.714 37.199 38.000 -0.146 0.000 1.044 284 I HN 0.270 nan 8.210 nan 0.000 0.402 285 N N 1.175 119.813 118.700 -0.103 0.000 2.120 285 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 285 N C 1.870 177.342 175.510 -0.063 0.000 1.024 285 N CA 1.610 54.612 53.050 -0.080 0.000 0.852 285 N CB -0.804 37.632 38.487 -0.086 0.000 1.003 285 N HN 0.434 nan 8.380 nan 0.000 0.424 286 G N 0.080 108.847 108.800 -0.055 0.000 2.498 286 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 286 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 286 G C 1.548 176.436 174.900 -0.021 0.000 1.119 286 G CA 1.182 46.265 45.100 -0.029 0.000 0.766 286 G HN 0.506 nan 8.290 nan 0.000 0.552 287 S N -0.401 115.285 115.700 -0.023 0.000 2.527 287 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 287 S C 0.779 175.329 174.600 -0.082 0.000 0.985 287 S CA -0.029 58.145 58.200 -0.043 0.000 0.921 287 S CB 0.005 63.179 63.200 -0.044 0.000 0.772 287 S HN 0.269 nan 8.310 nan 0.000 0.529 288 D N 2.109 122.465 120.400 -0.072 0.000 2.450 288 D HA 0.059 4.699 4.640 -0.000 0.000 0.247 288 D C 0.551 176.802 176.300 -0.081 0.000 1.162 288 D CA 0.256 54.213 54.000 -0.071 0.000 0.879 288 D CB 0.264 41.030 40.800 -0.056 0.000 1.163 288 D HN 0.382 nan 8.370 nan 0.000 0.472 289 N N 2.581 121.230 118.700 -0.085 0.000 2.334 289 N HA -0.221 4.519 4.740 -0.000 0.000 0.187 289 N C 1.756 177.226 175.510 -0.068 0.000 1.016 289 N CA 0.802 53.796 53.050 -0.093 0.000 0.879 289 N CB 0.098 38.539 38.487 -0.076 0.000 0.965 289 N HN 0.555 nan 8.380 nan 0.000 0.438 290 K N 0.888 121.259 120.400 -0.049 0.000 2.147 290 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 290 K C 1.547 178.125 176.600 -0.037 0.000 1.049 290 K CA 1.191 57.458 56.287 -0.034 0.000 0.936 290 K CB -0.036 32.448 32.500 -0.026 0.000 0.722 290 K HN 0.246 nan 8.250 nan 0.000 0.446 291 I N 0.999 121.539 120.570 -0.050 0.000 2.729 291 I HA 0.000 4.170 4.170 -0.000 0.000 0.256 291 I C 2.555 178.632 176.117 -0.066 0.000 1.115 291 I CA 0.560 61.830 61.300 -0.050 0.000 1.446 291 I CB -0.152 37.819 38.000 -0.047 0.000 1.176 291 I HN 0.222 nan 8.210 nan 0.000 0.446 292 A N 0.956 123.716 122.820 -0.101 0.000 2.019 292 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 292 A C 2.070 179.528 177.584 -0.209 0.000 1.164 292 A CA 1.317 53.252 52.037 -0.171 0.000 0.644 292 A CB -0.593 18.260 19.000 -0.246 0.000 0.805 292 A HN 0.438 nan 8.150 nan 0.000 0.449 293 L N -1.083 120.059 121.223 -0.135 0.000 2.640 293 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 293 L C 1.040 177.915 176.870 0.009 0.000 1.123 293 L CA -0.112 54.693 54.840 -0.059 0.000 0.900 293 L CB -0.190 41.851 42.059 -0.031 0.000 1.146 293 L HN 0.338 nan 8.230 nan 0.000 0.484 294 A N 0.794 123.609 122.820 -0.008 0.000 2.316 294 A HA 0.693 5.013 4.320 -0.000 0.000 0.284 294 A C 0.462 178.045 177.584 -0.001 0.000 1.115 294 A CA -0.259 51.785 52.037 0.012 0.000 0.812 294 A CB 0.546 19.542 19.000 -0.006 0.000 1.064 294 A HN 0.193 nan 8.150 nan 0.000 0.489 295 A N 2.428 125.251 122.820 0.005 0.000 2.477 295 A HA 0.546 4.866 4.320 -0.000 0.000 0.246 295 A C 0.386 177.868 177.584 -0.170 0.000 1.078 295 A CA 0.055 52.018 52.037 -0.123 0.000 0.770 295 A CB 0.093 18.939 19.000 -0.257 0.000 1.011 295 A HN 0.744 nan 8.150 nan 0.000 0.494 296 R N 2.096 122.470 120.500 -0.210 0.000 2.621 296 R HA 0.450 4.790 4.340 -0.000 0.000 0.284 296 R C -3.159 173.009 176.300 -0.221 0.000 0.998 296 R CA -2.053 53.943 56.100 -0.172 0.000 0.895 296 R CB 1.964 32.208 30.300 -0.093 0.000 1.195 296 R HN 0.497 nan 8.270 nan 0.000 0.450 297 P HA 0.066 nan 4.420 nan 0.000 0.271 297 P C -0.125 177.114 177.300 -0.101 0.000 1.216 297 P CA -0.225 62.768 63.100 -0.178 0.000 0.776 297 P CB 0.726 32.351 31.700 -0.125 0.000 0.881 298 V N 0.226 120.088 119.914 -0.088 0.000 2.667 298 V HA 0.571 4.691 4.120 -0.000 0.000 0.308 298 V C -0.123 176.086 176.094 0.191 0.000 1.048 298 V CA -1.015 61.312 62.300 0.046 0.000 0.928 298 V CB 1.901 33.700 31.823 -0.039 0.000 1.004 298 V HN 0.279 nan 8.190 nan 0.000 0.444 299 K N 2.681 123.242 120.400 0.268 0.000 2.235 299 K HA 0.749 5.069 4.320 -0.000 0.000 0.266 299 K C 0.035 176.866 176.600 0.386 0.000 0.980 299 K CA -0.339 56.112 56.287 0.274 0.000 0.849 299 K CB 1.950 34.539 32.500 0.148 0.000 1.098 299 K HN 1.064 nan 8.250 nan 0.000 0.445 300 A N 3.933 126.947 122.820 0.323 0.000 2.462 300 A HA 0.192 4.512 4.320 -0.000 0.000 0.243 300 A C 0.057 177.601 177.584 -0.066 0.000 1.076 300 A CA -0.211 51.780 52.037 -0.076 0.000 0.773 300 A CB 0.043 18.942 19.000 -0.168 0.000 1.010 300 A HN 0.579 nan 8.150 nan 0.000 0.493 301 I N 3.106 123.574 120.570 -0.171 0.000 2.287 301 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 301 I C 0.028 176.057 176.117 -0.146 0.000 1.069 301 I CA 0.361 61.604 61.300 -0.095 0.000 1.237 301 I CB 0.127 38.090 38.000 -0.063 0.000 1.418 301 I HN 0.500 nan 8.210 nan 0.000 0.481 302 T N 7.637 122.137 114.554 -0.090 0.000 2.963 302 T HA 0.442 4.792 4.350 -0.000 0.000 0.343 302 T C -1.665 173.001 174.700 -0.056 0.000 1.146 302 T CA -0.899 61.153 62.100 -0.080 0.000 1.016 302 T CB 1.167 70.005 68.868 -0.049 0.000 1.046 302 T HN 0.437 nan 8.240 nan 0.000 0.496 303 P HA 0.524 nan 4.420 nan 0.000 0.280 303 P C -3.045 174.176 177.300 -0.133 0.000 1.272 303 P CA -2.127 60.921 63.100 -0.087 0.000 0.819 303 P CB 0.070 31.733 31.700 -0.063 0.000 1.122 304 P HA 0.066 nan 4.420 nan 0.000 0.266 304 P C -0.301 176.840 177.300 -0.265 0.000 1.195 304 P CA 0.387 63.296 63.100 -0.318 0.000 0.768 304 P CB -0.058 31.293 31.700 -0.581 0.000 0.838 305 T N 5.406 119.803 114.554 -0.262 0.000 2.814 305 T HA 0.239 4.589 4.350 -0.000 0.000 0.297 305 T C -2.103 172.462 174.700 -0.226 0.000 0.956 305 T CA -1.012 60.961 62.100 -0.213 0.000 1.123 305 T CB -0.221 68.515 68.868 -0.219 0.000 0.902 305 T HN 0.281 nan 8.240 nan 0.000 0.528 306 P HA 0.197 nan 4.420 nan 0.000 0.270 306 P C -0.475 176.745 177.300 -0.133 0.000 1.223 306 P CA -0.502 62.515 63.100 -0.139 0.000 0.785 306 P CB 0.288 31.930 31.700 -0.096 0.000 0.923 307 A N 2.334 125.089 122.820 -0.108 0.000 2.572 307 A HA 0.039 4.359 4.320 -0.000 0.000 0.256 307 A C 0.197 177.722 177.584 -0.097 0.000 1.041 307 A CA 0.264 52.243 52.037 -0.096 0.000 0.790 307 A CB -0.909 18.049 19.000 -0.070 0.000 0.947 307 A HN 0.367 nan 8.150 nan 0.000 0.518 308 V N 5.916 125.764 119.914 -0.111 0.000 2.432 308 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 308 V C 1.561 177.614 176.094 -0.068 0.000 1.046 308 V CA -0.199 62.045 62.300 -0.092 0.000 0.945 308 V CB 0.874 32.629 31.823 -0.113 0.000 0.992 308 V HN 1.052 nan 8.190 nan 0.000 0.471 309 R N 3.516 123.984 120.500 -0.053 0.000 2.092 309 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 309 R C 1.340 177.621 176.300 -0.031 0.000 1.119 309 R CA 1.240 57.309 56.100 -0.050 0.000 0.970 309 R CB -0.032 30.238 30.300 -0.050 0.000 0.864 309 R HN 0.753 nan 8.270 nan 0.000 0.440 310 A N 1.545 124.375 122.820 0.016 0.000 3.063 310 A HA 0.233 4.553 4.320 -0.000 0.000 0.263 310 A C -0.530 177.155 177.584 0.169 0.000 1.736 310 A CA 0.106 52.208 52.037 0.108 0.000 1.408 310 A CB 0.043 19.137 19.000 0.156 0.000 1.108 310 A HN 0.030 nan 8.150 nan 0.000 0.621 311 S N 0.448 116.207 115.700 0.098 0.000 2.542 311 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 311 S C -0.892 173.786 174.600 0.130 0.000 1.089 311 S CA -0.571 57.701 58.200 0.121 0.000 0.961 311 S CB 1.152 64.337 63.200 -0.025 0.000 1.062 311 S HN 0.683 nan 8.310 nan 0.000 0.483 312 W N 4.208 125.539 121.300 0.052 0.000 2.342 312 W HA 0.530 5.190 4.660 -0.000 0.000 0.310 312 W C -1.760 174.623 176.519 -0.226 0.000 1.128 312 W CA -0.477 56.837 57.345 -0.052 0.000 1.322 312 W CB 0.495 30.026 29.460 0.120 0.000 1.251 312 W HN 0.318 nan 8.180 nan 0.000 0.439 313 V N 7.631 127.110 119.914 -0.724 0.000 2.417 313 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 313 V C -0.073 175.589 176.094 -0.719 0.000 1.024 313 V CA -0.385 61.444 62.300 -0.785 0.000 0.861 313 V CB 1.282 32.167 31.823 -1.564 0.000 0.985 313 V HN 0.660 nan 8.190 nan 0.000 0.436 314 H N 2.519 121.501 119.070 -0.147 0.000 2.981 314 H HA 0.904 5.460 4.556 -0.000 0.000 0.327 314 H C -1.281 174.316 175.328 0.449 0.000 1.342 314 H CA -1.278 54.816 56.048 0.076 0.000 1.123 314 H CB 2.248 32.086 29.762 0.127 0.000 1.851 314 H HN 0.439 nan 8.280 nan 0.000 0.531 315 K N 1.247 121.781 120.400 0.223 0.000 2.570 315 K HA 0.248 4.568 4.320 -0.000 0.000 0.256 315 K C -1.347 175.398 176.600 0.241 0.000 0.939 315 K CA -0.089 56.288 56.287 0.151 0.000 0.833 315 K CB 2.036 34.609 32.500 0.120 0.000 1.318 315 K HN 0.914 nan 8.250 nan 0.000 0.433 316 T N 0.043 114.753 114.554 0.261 0.000 2.913 316 T HA 0.820 5.170 4.350 -0.000 0.000 0.287 316 T C 0.380 175.207 174.700 0.210 0.000 1.008 316 T CA -0.446 61.834 62.100 0.300 0.000 1.067 316 T CB 1.541 70.486 68.868 0.128 0.000 0.996 316 T HN 0.612 nan 8.240 nan 0.000 0.513 317 G N -0.422 108.499 108.800 0.201 0.000 2.719 317 G HA2 0.738 4.698 3.960 -0.000 0.000 0.298 317 G HA3 0.738 4.698 3.960 -0.000 0.000 0.298 317 G C -1.473 173.528 174.900 0.167 0.000 1.411 317 G CA -0.699 44.516 45.100 0.192 0.000 0.991 317 G HN 1.122 nan 8.290 nan 0.000 0.509 318 A N 0.734 123.648 122.820 0.156 0.000 2.549 318 A HA 0.962 5.282 4.320 -0.000 0.000 0.297 318 A C 0.036 177.710 177.584 0.149 0.000 1.061 318 A CA 0.013 52.145 52.037 0.158 0.000 0.690 318 A CB 1.709 20.766 19.000 0.096 0.000 1.287 318 A HN 1.715 nan 8.150 nan 0.000 0.402 319 T N -1.750 112.931 114.554 0.213 0.000 2.807 319 T HA 0.631 4.981 4.350 -0.000 0.000 0.277 319 T C 1.379 176.193 174.700 0.190 0.000 1.006 319 T CA 0.134 62.339 62.100 0.174 0.000 1.006 319 T CB 0.969 69.986 68.868 0.249 0.000 1.274 319 T HN 1.492 nan 8.240 nan 0.000 0.569 320 G N -0.247 108.649 108.800 0.159 0.000 2.469 320 G HA2 0.092 4.051 3.960 -0.000 0.000 0.220 320 G HA3 0.092 4.051 3.960 -0.000 0.000 0.220 320 G C 1.169 176.164 174.900 0.158 0.000 1.136 320 G CA 0.697 45.877 45.100 0.133 0.000 0.759 320 G HN 1.167 nan 8.290 nan 0.000 0.562 321 G N -1.474 107.470 108.800 0.240 0.000 3.324 321 G HA2 0.480 4.440 3.960 -0.000 0.000 0.251 321 G HA3 0.480 4.440 3.960 -0.000 0.000 0.251 321 G C -0.419 174.449 174.900 -0.054 0.000 1.072 321 G CA -0.461 44.695 45.100 0.094 0.000 0.787 321 G HN 0.194 nan 8.290 nan 0.000 0.537 322 F N -0.450 119.633 119.950 0.222 0.000 2.588 322 F HA 0.673 5.200 4.527 -0.000 0.000 0.310 322 F C 0.249 176.191 175.800 0.236 0.000 1.082 322 F CA -1.079 57.091 58.000 0.283 0.000 0.929 322 F CB 2.508 41.696 39.000 0.312 0.000 1.254 322 F HN 0.014 nan 8.300 nan 0.000 0.455 323 G N 1.012 110.083 108.800 0.452 0.000 2.683 323 G HA2 0.597 4.557 3.960 -0.000 0.000 0.299 323 G HA3 0.597 4.557 3.960 -0.000 0.000 0.299 323 G C -1.567 173.509 174.900 0.294 0.000 1.432 323 G CA -0.600 44.660 45.100 0.266 0.000 0.978 323 G HN 0.561 nan 8.290 nan 0.000 0.513 324 S N 0.250 116.094 115.700 0.240 0.000 2.599 324 S HA 0.807 5.277 4.470 -0.000 0.000 0.294 324 S C -1.689 173.103 174.600 0.320 0.000 1.094 324 S CA -0.652 57.708 58.200 0.267 0.000 0.931 324 S CB 2.055 65.409 63.200 0.258 0.000 1.093 324 S HN 0.683 nan 8.310 nan 0.000 0.488 325 Y N 0.457 120.863 120.300 0.177 0.000 2.480 325 Y HA 0.578 5.128 4.550 -0.000 0.000 0.329 325 Y C -1.934 174.116 175.900 0.250 0.000 1.127 325 Y CA -0.779 57.440 58.100 0.199 0.000 1.037 325 Y CB 1.011 39.585 38.460 0.189 0.000 1.320 325 Y HN 0.491 nan 8.280 nan 0.000 0.446 326 V N 4.402 124.141 119.914 -0.291 0.000 2.638 326 V HA 0.973 5.093 4.120 -0.000 0.000 0.306 326 V C -0.840 174.994 176.094 -0.433 0.000 1.052 326 V CA -0.305 61.915 62.300 -0.133 0.000 0.885 326 V CB 1.472 33.479 31.823 0.308 0.000 0.999 326 V HN 1.007 nan 8.190 nan 0.000 0.424 327 A N 4.706 127.303 122.820 -0.372 0.000 2.520 327 A HA 1.040 5.360 4.320 -0.000 0.000 0.298 327 A C -1.270 176.037 177.584 -0.463 0.000 1.051 327 A CA -0.518 51.160 52.037 -0.599 0.000 0.690 327 A CB 1.811 20.326 19.000 -0.807 0.000 1.281 327 A HN 1.448 nan 8.150 nan 0.000 0.402 328 F N -0.714 118.786 119.950 -0.750 0.000 2.668 328 F HA 0.830 5.357 4.527 -0.000 0.000 0.309 328 F C -1.434 174.015 175.800 -0.586 0.000 1.117 328 F CA -1.230 56.411 58.000 -0.599 0.000 0.951 328 F CB 1.307 40.019 39.000 -0.481 0.000 1.323 328 F HN 0.300 nan 8.300 nan 0.000 0.451 329 I N 2.427 122.830 120.570 -0.278 0.000 2.495 329 I HA 0.324 4.494 4.170 -0.000 0.000 0.277 329 I C -2.175 173.833 176.117 -0.183 0.000 1.045 329 I CA -1.839 59.260 61.300 -0.335 0.000 1.135 329 I CB 1.846 39.506 38.000 -0.566 0.000 1.241 329 I HN 0.380 nan 8.210 nan 0.000 0.469 330 P HA -0.216 nan 4.420 nan 0.000 0.216 330 P C 1.427 178.658 177.300 -0.115 0.000 1.153 330 P CA 1.227 64.287 63.100 -0.068 0.000 0.858 330 P CB 0.316 31.988 31.700 -0.046 0.000 0.789 331 E N -0.165 119.962 120.200 -0.122 0.000 2.160 331 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 331 E C 1.138 177.658 176.600 -0.133 0.000 0.991 331 E CA 1.040 57.377 56.400 -0.106 0.000 0.810 331 E CB -0.057 29.602 29.700 -0.068 0.000 0.742 331 E HN 0.071 nan 8.360 nan 0.000 0.466 332 K N 0.301 120.583 120.400 -0.195 0.000 2.374 332 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 332 K C -0.073 176.411 176.600 -0.194 0.000 1.023 332 K CA 0.098 56.262 56.287 -0.204 0.000 1.103 332 K CB 0.481 32.810 32.500 -0.285 0.000 0.848 332 K HN 0.161 nan 8.250 nan 0.000 0.528 333 E N 0.643 120.739 120.200 -0.174 0.000 2.360 333 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 333 E C -0.900 175.604 176.600 -0.160 0.000 1.186 333 E CA 0.309 56.608 56.400 -0.167 0.000 0.719 333 E CB -1.223 28.374 29.700 -0.171 0.000 1.236 333 E HN 0.051 nan 8.360 nan 0.000 0.386 334 L N -0.460 120.673 121.223 -0.150 0.000 2.410 334 L HA 0.784 5.124 4.340 -0.000 0.000 0.270 334 L C -0.004 176.808 176.870 -0.097 0.000 0.983 334 L CA 0.280 55.055 54.840 -0.107 0.000 0.822 334 L CB 2.057 44.033 42.059 -0.138 0.000 1.285 334 L HN 0.051 nan 8.230 nan 0.000 0.409 335 G N 4.070 112.844 108.800 -0.044 0.000 2.608 335 G HA2 0.633 4.593 3.960 -0.000 0.000 0.291 335 G HA3 0.633 4.593 3.960 -0.000 0.000 0.291 335 G C -2.211 172.696 174.900 0.011 0.000 1.425 335 G CA -0.476 44.601 45.100 -0.039 0.000 0.787 335 G HN 0.789 nan 8.290 nan 0.000 0.484 336 I N -0.247 120.334 120.570 0.018 0.000 2.752 336 I HA 0.646 4.816 4.170 -0.000 0.000 0.295 336 I C -1.341 174.841 176.117 0.110 0.000 1.219 336 I CA -0.971 60.382 61.300 0.088 0.000 1.030 336 I CB 2.309 40.381 38.000 0.120 0.000 1.259 336 I HN 0.380 nan 8.210 nan 0.000 0.423 337 V N 7.291 127.306 119.914 0.169 0.000 2.588 337 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 337 V C -0.478 175.749 176.094 0.221 0.000 1.042 337 V CA -0.452 61.965 62.300 0.195 0.000 0.877 337 V CB 1.830 33.783 31.823 0.218 0.000 0.996 337 V HN 0.645 nan 8.190 nan 0.000 0.425 338 M N 6.124 125.865 119.600 0.234 0.000 2.093 338 M HA 0.594 5.074 4.480 -0.000 0.000 0.297 338 M C -1.331 175.069 176.300 0.166 0.000 0.938 338 M CA -0.131 55.305 55.300 0.227 0.000 0.920 338 M CB 1.802 34.582 32.600 0.301 0.000 1.517 338 M HN 0.388 nan 8.290 nan 0.000 0.427 339 L N 2.994 124.212 121.223 -0.008 0.000 2.325 339 L HA 0.954 5.294 4.340 -0.000 0.000 0.281 339 L C -0.361 176.346 176.870 -0.273 0.000 1.004 339 L CA -0.689 53.998 54.840 -0.255 0.000 0.823 339 L CB 1.672 43.226 42.059 -0.842 0.000 1.236 339 L HN 0.779 nan 8.230 nan 0.000 0.415 340 A N 2.105 125.035 122.820 0.182 0.000 2.401 340 A HA 0.604 4.923 4.320 -0.000 0.000 0.310 340 A C -0.268 177.662 177.584 0.578 0.000 1.075 340 A CA -0.746 51.524 52.037 0.387 0.000 0.746 340 A CB 1.214 20.431 19.000 0.363 0.000 1.277 340 A HN 0.754 nan 8.150 nan 0.000 0.425 341 N N 1.177 120.148 118.700 0.452 0.000 2.575 341 N HA 0.169 4.908 4.740 -0.000 0.000 0.275 341 N C -0.482 175.013 175.510 -0.026 0.000 1.202 341 N CA -0.117 52.896 53.050 -0.063 0.000 0.945 341 N CB 0.234 38.656 38.487 -0.108 0.000 1.247 341 N HN 0.601 nan 8.380 nan 0.000 0.510 342 K N 0.136 120.615 120.400 0.132 0.000 2.523 342 K HA 0.240 4.560 4.320 -0.000 0.000 0.257 342 K C -1.595 175.183 176.600 0.296 0.000 0.932 342 K CA -0.709 55.680 56.287 0.170 0.000 0.812 342 K CB 1.302 33.893 32.500 0.152 0.000 1.326 342 K HN -0.029 nan 8.250 nan 0.000 0.433 343 N N 3.759 122.596 118.700 0.229 0.000 2.482 343 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 343 N C -1.474 174.158 175.510 0.203 0.000 1.100 343 N CA -0.080 53.092 53.050 0.203 0.000 0.946 343 N CB -0.084 38.490 38.487 0.143 0.000 1.227 343 N HN 0.454 nan 8.380 nan 0.000 0.508 344 Y N 1.602 121.943 120.300 0.068 0.000 2.567 344 Y HA 0.773 5.323 4.550 -0.000 0.000 0.333 344 Y C -2.600 173.317 175.900 0.028 0.000 1.106 344 Y CA -3.399 54.725 58.100 0.039 0.000 1.157 344 Y CB -0.338 38.139 38.460 0.028 0.000 1.277 344 Y HN 0.281 nan 8.280 nan 0.000 0.490 345 P HA 0.033 nan 4.420 nan 0.000 0.264 345 P C 0.127 177.309 177.300 -0.196 0.000 1.183 345 P CA 0.281 63.338 63.100 -0.073 0.000 0.763 345 P CB 0.729 32.433 31.700 0.006 0.000 0.807 346 N N 4.601 123.187 118.700 -0.190 0.000 2.061 346 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 346 N C -0.880 174.520 175.510 -0.182 0.000 1.030 346 N CA 1.934 54.855 53.050 -0.215 0.000 0.856 346 N CB -1.954 36.438 38.487 -0.158 0.000 1.023 346 N HN 0.457 nan 8.380 nan 0.000 0.424 347 P HA -0.054 nan 4.420 nan 0.000 0.218 347 P C 1.054 178.325 177.300 -0.049 0.000 1.148 347 P CA 1.474 64.525 63.100 -0.081 0.000 0.822 347 P CB -0.067 31.600 31.700 -0.055 0.000 0.784 348 A N -0.072 122.744 122.820 -0.007 0.000 1.930 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 348 A C 2.202 179.852 177.584 0.110 0.000 1.175 348 A CA 1.324 53.411 52.037 0.083 0.000 0.627 348 A CB -0.894 18.224 19.000 0.197 0.000 0.815 348 A HN 0.106 nan 8.150 nan 0.000 0.443 349 R N -0.632 119.873 120.500 0.008 0.000 2.062 349 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 349 R C 2.005 178.236 176.300 -0.115 0.000 1.136 349 R CA 1.504 57.590 56.100 -0.023 0.000 0.948 349 R CB -0.696 29.448 30.300 -0.259 0.000 0.845 349 R HN 0.363 nan 8.270 nan 0.000 0.430 350 V N 1.747 121.492 119.914 -0.281 0.000 2.358 350 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 350 V C 1.973 178.141 176.094 0.122 0.000 1.047 350 V CA 2.134 64.324 62.300 -0.183 0.000 1.035 350 V CB -0.605 31.125 31.823 -0.155 0.000 0.658 350 V HN 0.331 nan 8.190 nan 0.000 0.452 351 D N 0.676 121.119 120.400 0.072 0.000 2.104 351 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 351 D C 2.107 178.540 176.300 0.222 0.000 0.994 351 D CA 1.810 55.891 54.000 0.134 0.000 0.830 351 D CB -0.184 40.657 40.800 0.069 0.000 0.959 351 D HN 0.358 nan 8.370 nan 0.000 0.452 352 A N 0.513 123.439 122.820 0.177 0.000 1.877 352 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 352 A C 2.446 180.179 177.584 0.249 0.000 1.186 352 A CA 2.500 54.642 52.037 0.175 0.000 0.620 352 A CB -1.285 17.794 19.000 0.132 0.000 0.822 352 A HN 0.369 nan 8.150 nan 0.000 0.443 353 A N -1.849 121.185 122.820 0.357 0.000 1.908 353 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 353 A C 2.004 179.916 177.584 0.546 0.000 1.181 353 A CA 1.621 53.952 52.037 0.490 0.000 0.627 353 A CB -0.888 18.592 19.000 0.800 0.000 0.818 353 A HN 0.837 nan 8.150 nan 0.000 0.445 354 W N 0.640 122.173 121.300 0.388 0.000 2.388 354 W HA -0.153 4.507 4.660 -0.000 0.000 0.294 354 W C 2.271 178.922 176.519 0.220 0.000 1.212 354 W CA 1.758 59.291 57.345 0.313 0.000 1.271 354 W CB -0.005 29.492 29.460 0.062 0.000 1.126 354 W HN 0.327 nan 8.180 nan 0.000 0.535 355 Q N 0.318 120.271 119.800 0.255 0.000 2.096 355 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 355 Q C 2.202 178.176 176.000 -0.043 0.000 0.982 355 Q CA 2.170 58.012 55.803 0.064 0.000 0.850 355 Q CB -1.057 27.750 28.738 0.116 0.000 0.901 355 Q HN 0.462 nan 8.270 nan 0.000 0.422 356 I N 0.113 120.702 120.570 0.032 0.000 2.193 356 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 356 I C 2.277 178.383 176.117 -0.019 0.000 1.084 356 I CA 0.805 62.107 61.300 0.004 0.000 1.365 356 I CB -0.267 37.756 38.000 0.039 0.000 1.064 356 I HN 0.102 nan 8.210 nan 0.000 0.410 357 L N 0.283 121.523 121.223 0.029 0.000 2.093 357 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 357 L C 2.233 179.058 176.870 -0.075 0.000 1.085 357 L CA 1.324 56.175 54.840 0.019 0.000 0.755 357 L CB -0.793 41.340 42.059 0.124 0.000 0.904 357 L HN 0.331 nan 8.230 nan 0.000 0.435 358 N N 0.470 118.993 118.700 -0.295 0.000 2.244 358 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 358 N C 1.784 177.178 175.510 -0.193 0.000 1.016 358 N CA 1.294 54.108 53.050 -0.393 0.000 0.866 358 N CB 0.018 37.786 38.487 -1.198 0.000 0.980 358 N HN 0.266 nan 8.380 nan 0.000 0.430 359 A N -0.061 122.660 122.820 -0.164 0.000 1.972 359 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 359 A C 2.019 179.583 177.584 -0.033 0.000 1.169 359 A CA 0.973 52.960 52.037 -0.083 0.000 0.635 359 A CB -0.423 18.532 19.000 -0.075 0.000 0.810 359 A HN 0.360 nan 8.150 nan 0.000 0.446 360 L N -0.671 120.545 121.223 -0.011 0.000 2.513 360 L HA 0.063 4.403 4.340 -0.000 0.000 0.222 360 L C 1.313 178.267 176.870 0.141 0.000 1.096 360 L CA -0.085 54.798 54.840 0.071 0.000 0.857 360 L CB -0.308 41.802 42.059 0.086 0.000 1.026 360 L HN 0.579 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.839 119.800 0.065 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.830 55.803 0.045 0.000 1.022 361 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481