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 1my8_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL 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 0.000 177.434 177.584 -0.250 0.000 1.274 4 A CA 0.000 51.900 52.037 -0.229 0.000 0.836 4 A CB 0.000 18.823 19.000 -0.295 0.000 0.831 5 P HA 0.056 nan 4.420 nan 0.000 0.265 5 P C 0.767 177.944 177.300 -0.204 0.000 1.187 5 P CA -0.031 62.911 63.100 -0.263 0.000 0.766 5 P CB 0.613 32.094 31.700 -0.365 0.000 0.820 6 Q N 2.511 122.237 119.800 -0.123 0.000 2.181 6 Q HA -0.273 4.067 4.340 -0.000 0.000 0.205 6 Q C 1.757 177.701 176.000 -0.093 0.000 0.980 6 Q CA 1.834 57.590 55.803 -0.079 0.000 0.862 6 Q CB -0.083 28.625 28.738 -0.049 0.000 0.905 6 Q HN 0.562 nan 8.270 nan 0.000 0.429 7 Q N -0.239 119.476 119.800 -0.141 0.000 2.084 7 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 7 Q C 2.153 178.049 176.000 -0.173 0.000 0.978 7 Q CA 1.438 57.152 55.803 -0.150 0.000 0.844 7 Q CB -0.028 28.595 28.738 -0.191 0.000 0.898 7 Q HN 0.493 nan 8.270 nan 0.000 0.426 8 I N 0.639 121.062 120.570 -0.245 0.000 2.277 8 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 8 I C 1.940 178.005 176.117 -0.085 0.000 1.094 8 I CA 0.597 61.772 61.300 -0.209 0.000 1.393 8 I CB -0.412 37.413 38.000 -0.292 0.000 1.078 8 I HN 0.198 nan 8.210 nan 0.000 0.417 9 N N 1.007 119.710 118.700 0.005 0.000 2.094 9 N HA -0.258 4.482 4.740 -0.000 0.000 0.191 9 N C 1.518 177.062 175.510 0.057 0.000 1.023 9 N CA 1.911 55.027 53.050 0.109 0.000 0.857 9 N CB -0.560 37.981 38.487 0.091 0.000 1.013 9 N HN 0.389 nan 8.380 nan 0.000 0.426 10 D N 0.206 120.618 120.400 0.020 0.000 2.097 10 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 10 D C 1.856 178.172 176.300 0.025 0.000 0.989 10 D CA 0.589 54.614 54.000 0.042 0.000 0.827 10 D CB -0.171 40.635 40.800 0.009 0.000 0.966 10 D HN 0.137 nan 8.370 nan 0.000 0.456 11 I N -0.330 120.223 120.570 -0.029 0.000 2.439 11 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 11 I C 2.007 178.098 176.117 -0.043 0.000 1.139 11 I CA 0.703 61.981 61.300 -0.038 0.000 1.438 11 I CB -0.097 37.867 38.000 -0.060 0.000 1.085 11 I HN -0.026 nan 8.210 nan 0.000 0.427 12 V N 0.140 119.993 119.914 -0.102 0.000 2.307 12 V HA -0.299 3.820 4.120 -0.000 0.000 0.245 12 V C 2.536 178.676 176.094 0.076 0.000 1.045 12 V CA 2.222 64.432 62.300 -0.151 0.000 1.024 12 V CB -1.046 30.394 31.823 -0.638 0.000 0.651 12 V HN 0.536 nan 8.190 nan 0.000 0.449 13 H N 0.721 119.807 119.070 0.027 0.000 2.423 13 H HA -0.036 4.520 4.556 -0.000 0.000 0.297 13 H C 2.350 177.727 175.328 0.082 0.000 1.075 13 H CA 1.660 57.791 56.048 0.138 0.000 1.342 13 H CB -0.045 29.787 29.762 0.117 0.000 1.395 13 H HN 0.274 nan 8.280 nan 0.000 0.530 14 R N -1.114 119.382 120.500 -0.006 0.000 2.236 14 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 14 R C 1.383 177.643 176.300 -0.066 0.000 1.036 14 R CA 1.338 57.381 56.100 -0.095 0.000 1.001 14 R CB 0.350 30.620 30.300 -0.051 0.000 0.896 14 R HN 0.320 nan 8.270 nan 0.000 0.464 15 T N 0.448 114.983 114.554 -0.032 0.000 3.044 15 T HA 0.127 4.477 4.350 -0.000 0.000 0.237 15 T C 1.747 176.407 174.700 -0.067 0.000 1.001 15 T CA 0.220 62.300 62.100 -0.032 0.000 1.160 15 T CB 0.239 69.103 68.868 -0.006 0.000 0.889 15 T HN -0.048 nan 8.240 nan 0.000 0.442 16 I N 2.143 122.662 120.570 -0.085 0.000 2.333 16 I HA -0.049 4.121 4.170 -0.000 0.000 0.246 16 I C 2.577 178.469 176.117 -0.374 0.000 1.106 16 I CA 1.319 62.467 61.300 -0.254 0.000 1.411 16 I CB -1.773 36.004 38.000 -0.372 0.000 1.082 16 I HN 0.246 nan 8.210 nan 0.000 0.420 17 T N 2.171 116.634 114.554 -0.152 0.000 2.720 17 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 17 T C -0.330 174.275 174.700 -0.157 0.000 1.037 17 T CA 1.652 63.691 62.100 -0.102 0.000 1.144 17 T CB -1.291 67.753 68.868 0.294 0.000 0.864 17 T HN 0.241 nan 8.240 nan 0.000 0.444 18 P HA 0.062 nan 4.420 nan 0.000 0.220 18 P C 1.626 178.846 177.300 -0.132 0.000 1.152 18 P CA 0.343 63.376 63.100 -0.113 0.000 0.812 18 P CB -0.143 31.502 31.700 -0.091 0.000 0.792 19 L N -0.508 120.617 121.223 -0.163 0.000 2.042 19 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 19 L C 2.098 178.813 176.870 -0.258 0.000 1.076 19 L CA 1.847 56.579 54.840 -0.180 0.000 0.749 19 L CB -1.134 40.815 42.059 -0.185 0.000 0.893 19 L HN -0.132 nan 8.230 nan 0.000 0.432 20 I N -0.557 119.819 120.570 -0.323 0.000 2.226 20 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 20 I C 2.414 178.410 176.117 -0.202 0.000 1.100 20 I CA 1.013 62.118 61.300 -0.325 0.000 1.374 20 I CB -0.406 37.349 38.000 -0.409 0.000 1.057 20 I HN 0.322 nan 8.210 nan 0.000 0.413 21 E N 0.634 120.743 120.200 -0.152 0.000 2.072 21 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 21 E C 2.168 178.717 176.600 -0.085 0.000 0.985 21 E CA 1.243 57.587 56.400 -0.094 0.000 0.801 21 E CB -0.351 29.310 29.700 -0.065 0.000 0.750 21 E HN 0.590 nan 8.360 nan 0.000 0.452 22 Q N 0.197 119.942 119.800 -0.091 0.000 2.124 22 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 22 Q C 1.837 177.797 176.000 -0.066 0.000 0.977 22 Q CA 1.034 56.797 55.803 -0.067 0.000 0.850 22 Q CB 0.083 28.786 28.738 -0.057 0.000 0.901 22 Q HN 0.172 nan 8.270 nan 0.000 0.429 23 Q N 0.085 119.817 119.800 -0.114 0.000 2.319 23 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 23 Q C -0.342 175.600 176.000 -0.097 0.000 0.896 23 Q CA 0.136 55.873 55.803 -0.109 0.000 0.942 23 Q CB 0.701 29.294 28.738 -0.241 0.000 1.083 23 Q HN 0.248 nan 8.270 nan 0.000 0.510 24 K N 0.871 121.212 120.400 -0.098 0.000 3.148 24 K HA -0.171 4.149 4.320 -0.000 0.000 0.267 24 K C -0.566 175.987 176.600 -0.078 0.000 0.996 24 K CA 0.218 56.461 56.287 -0.074 0.000 0.737 24 K CB -1.773 30.702 32.500 -0.041 0.000 1.308 24 K HN 0.259 nan 8.250 nan 0.000 0.470 25 I N 0.788 121.283 120.570 -0.126 0.000 2.452 25 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 25 I C -0.954 175.138 176.117 -0.041 0.000 1.079 25 I CA -2.119 59.122 61.300 -0.099 0.000 1.387 25 I CB 0.880 38.754 38.000 -0.209 0.000 1.404 25 I HN 0.026 nan 8.210 nan 0.000 0.522 26 P HA -0.032 nan 4.420 nan 0.000 0.216 26 P C 0.367 177.727 177.300 0.100 0.000 1.153 26 P CA 0.570 63.669 63.100 -0.002 0.000 0.848 26 P CB 0.282 31.912 31.700 -0.117 0.000 0.787 27 G N -1.500 107.421 108.800 0.201 0.000 2.733 27 G HA2 0.661 4.621 3.960 -0.000 0.000 0.297 27 G HA3 0.661 4.621 3.960 -0.000 0.000 0.297 27 G C -1.954 173.195 174.900 0.417 0.000 1.422 27 G CA -0.357 44.933 45.100 0.317 0.000 0.942 27 G HN 0.046 nan 8.290 nan 0.000 0.510 28 M N 1.122 121.003 119.600 0.469 0.000 2.465 28 M HA 0.736 5.216 4.480 -0.000 0.000 0.284 28 M C -1.457 175.172 176.300 0.550 0.000 1.212 28 M CA -0.552 54.989 55.300 0.403 0.000 0.910 28 M CB 2.288 34.967 32.600 0.131 0.000 1.725 28 M HN 1.118 nan 8.290 nan 0.000 0.477 29 A N 3.070 126.077 122.820 0.312 0.000 2.414 29 A HA 0.900 5.220 4.320 -0.000 0.000 0.306 29 A C -1.802 175.999 177.584 0.362 0.000 1.054 29 A CA -0.631 51.642 52.037 0.392 0.000 0.724 29 A CB 1.931 21.105 19.000 0.289 0.000 1.267 29 A HN 0.641 nan 8.150 nan 0.000 0.418 30 V N 0.662 120.902 119.914 0.543 0.000 2.841 30 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 30 V C -0.025 176.396 176.094 0.544 0.000 1.090 30 V CA -0.154 62.444 62.300 0.496 0.000 0.930 30 V CB 1.951 34.110 31.823 0.560 0.000 1.014 30 V HN 1.507 nan 8.190 nan 0.000 0.425 31 A N 3.817 126.872 122.820 0.391 0.000 2.355 31 A HA 0.905 5.225 4.320 -0.000 0.000 0.317 31 A C -1.205 176.521 177.584 0.237 0.000 1.094 31 A CA -0.567 51.634 52.037 0.273 0.000 0.764 31 A CB 1.856 20.962 19.000 0.176 0.000 1.230 31 A HN 0.669 nan 8.150 nan 0.000 0.448 32 V N 3.182 123.254 119.914 0.264 0.000 2.495 32 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 32 V C -0.914 175.295 176.094 0.192 0.000 1.031 32 V CA -0.325 62.117 62.300 0.237 0.000 0.871 32 V CB 1.447 33.445 31.823 0.292 0.000 0.988 32 V HN 0.726 nan 8.190 nan 0.000 0.432 33 I N 5.675 126.318 120.570 0.122 0.000 2.321 33 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 33 I C -0.737 175.489 176.117 0.182 0.000 0.998 33 I CA -0.372 60.974 61.300 0.077 0.000 1.227 33 I CB 1.008 38.989 38.000 -0.033 0.000 1.368 33 I HN 0.588 nan 8.210 nan 0.000 0.466 34 Y N 5.263 125.633 120.300 0.116 0.000 2.346 34 Y HA 0.351 4.901 4.550 0.000 0.000 0.332 34 Y C 0.139 176.089 175.900 0.084 0.000 0.985 34 Y CA -0.826 57.337 58.100 0.106 0.000 1.112 34 Y CB 1.245 39.801 38.460 0.159 0.000 1.170 34 Y HN 0.693 nan 8.280 nan 0.000 0.447 35 Q N 4.519 124.058 119.800 -0.435 0.000 2.453 35 Q HA -0.268 4.072 4.340 -0.000 0.000 0.294 35 Q C 1.110 177.028 176.000 -0.136 0.000 1.295 35 Q CA 1.171 56.779 55.803 -0.325 0.000 0.853 35 Q CB -1.666 26.860 28.738 -0.354 0.000 1.193 35 Q HN 1.407 nan 8.270 nan 0.000 0.461 36 G N -1.108 107.622 108.800 -0.117 0.000 2.184 36 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 36 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 36 G C 0.029 174.877 174.900 -0.087 0.000 0.975 36 G CA 0.804 45.843 45.100 -0.102 0.000 0.642 36 G HN 0.180 nan 8.290 nan 0.000 0.536 37 K N 1.052 121.417 120.400 -0.057 0.000 2.138 37 K HA 0.580 4.899 4.320 -0.000 0.000 0.263 37 K C -2.582 173.833 176.600 -0.307 0.000 0.965 37 K CA -2.335 53.854 56.287 -0.164 0.000 0.868 37 K CB 2.418 34.820 32.500 -0.164 0.000 1.083 37 K HN 0.190 nan 8.250 nan 0.000 0.443 38 P HA 0.335 nan 4.420 nan 0.000 0.292 38 P C -1.306 175.349 177.300 -1.075 0.000 1.283 38 P CA -0.459 62.277 63.100 -0.606 0.000 0.835 38 P CB 0.631 32.045 31.700 -0.477 0.000 1.017 39 Y N 1.310 121.312 120.300 -0.496 0.000 2.425 39 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 39 Y C -0.024 175.466 175.900 -0.683 0.000 0.969 39 Y CA -0.452 57.364 58.100 -0.474 0.000 1.052 39 Y CB 1.912 40.283 38.460 -0.149 0.000 1.215 39 Y HN 0.301 nan 8.280 nan 0.000 0.451 40 Y N 2.107 122.200 120.300 -0.344 0.000 2.468 40 Y HA 0.720 5.270 4.550 -0.000 0.000 0.342 40 Y C -1.047 174.360 175.900 -0.822 0.000 1.021 40 Y CA -1.288 56.619 58.100 -0.323 0.000 1.079 40 Y CB 1.673 40.046 38.460 -0.145 0.000 1.226 40 Y HN 0.384 nan 8.280 nan 0.000 0.460 41 F N 0.112 120.160 119.950 0.163 0.000 2.581 41 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 41 F C -0.385 175.301 175.800 -0.191 0.000 1.113 41 F CA -0.906 57.003 58.000 -0.152 0.000 0.935 41 F CB 2.504 41.416 39.000 -0.147 0.000 1.232 41 F HN 0.401 nan 8.300 nan 0.000 0.445 42 T N -1.567 112.783 114.554 -0.339 0.000 2.900 42 T HA 0.670 5.020 4.350 -0.000 0.000 0.303 42 T C -1.631 172.938 174.700 -0.218 0.000 1.142 42 T CA -0.794 61.291 62.100 -0.025 0.000 1.007 42 T CB 1.939 70.860 68.868 0.088 0.000 1.156 42 T HN 0.634 nan 8.240 nan 0.000 0.490 43 W N 0.209 121.596 121.300 0.145 0.000 3.217 43 W HA 0.500 5.160 4.660 -0.000 0.000 0.323 43 W C 0.780 177.325 176.519 0.042 0.000 1.216 43 W CA -0.242 57.149 57.345 0.076 0.000 1.194 43 W CB 1.745 31.249 29.460 0.072 0.000 1.397 43 W HN 1.399 nan 8.180 nan 0.000 0.537 44 G N 1.330 110.218 108.800 0.148 0.000 2.569 44 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.259 44 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.259 44 G C -1.503 173.349 174.900 -0.080 0.000 1.263 44 G CA -0.242 44.803 45.100 -0.092 0.000 0.928 44 G HN 0.567 nan 8.290 nan 0.000 0.572 45 Y N -0.053 120.342 120.300 0.157 0.000 2.429 45 Y HA 0.566 5.116 4.550 -0.000 0.000 0.342 45 Y C 1.318 177.327 175.900 0.182 0.000 1.004 45 Y CA -0.453 57.732 58.100 0.141 0.000 1.075 45 Y CB 2.034 40.545 38.460 0.085 0.000 1.214 45 Y HN 0.797 nan 8.280 nan 0.000 0.455 46 A N 0.826 123.858 122.820 0.354 0.000 1.975 46 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 46 A C 0.236 178.021 177.584 0.334 0.000 1.170 46 A CA 1.228 53.410 52.037 0.242 0.000 0.656 46 A CB 0.089 19.165 19.000 0.127 0.000 0.821 46 A HN 0.674 nan 8.150 nan 0.000 0.449 47 D N -0.949 119.638 120.400 0.311 0.000 2.476 47 D HA 0.396 5.036 4.640 -0.000 0.000 0.251 47 D C 0.640 176.991 176.300 0.084 0.000 1.291 47 D CA -0.433 53.762 54.000 0.325 0.000 0.939 47 D CB 0.798 41.770 40.800 0.286 0.000 1.221 47 D HN 0.144 nan 8.370 nan 0.000 0.567 48 I N 2.287 122.914 120.570 0.095 0.000 2.142 48 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 48 I C 2.497 178.475 176.117 -0.232 0.000 1.078 48 I CA 1.282 62.493 61.300 -0.148 0.000 1.343 48 I CB -0.128 37.740 38.000 -0.220 0.000 1.046 48 I HN 0.453 nan 8.210 nan 0.000 0.405 49 A N 1.056 123.808 122.820 -0.114 0.000 1.873 49 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 49 A C 2.192 179.689 177.584 -0.145 0.000 1.193 49 A CA 1.897 53.860 52.037 -0.123 0.000 0.629 49 A CB -0.533 18.402 19.000 -0.108 0.000 0.826 49 A HN 0.397 nan 8.150 nan 0.000 0.447 50 K N -0.689 119.636 120.400 -0.125 0.000 2.487 50 K HA 0.090 4.410 4.320 -0.000 0.000 0.192 50 K C -0.307 176.174 176.600 -0.198 0.000 1.027 50 K CA 0.298 56.519 56.287 -0.110 0.000 1.054 50 K CB 0.066 32.549 32.500 -0.029 0.000 0.824 50 K HN 0.447 nan 8.250 nan 0.000 0.510 51 K N 1.570 121.708 120.400 -0.436 0.000 3.077 51 K HA -0.170 4.150 4.320 -0.000 0.000 0.264 51 K C -0.751 175.644 176.600 -0.343 0.000 1.008 51 K CA 0.470 56.250 56.287 -0.844 0.000 0.740 51 K CB -0.955 31.250 32.500 -0.492 0.000 1.273 51 K HN 0.175 nan 8.250 nan 0.000 0.477 52 Q N 0.571 120.285 119.800 -0.144 0.000 2.294 52 Q HA 0.208 4.548 4.340 -0.000 0.000 0.257 52 Q C -2.058 174.096 176.000 0.258 0.000 0.955 52 Q CA -1.950 53.897 55.803 0.074 0.000 0.936 52 Q CB 0.927 29.715 28.738 0.083 0.000 1.188 52 Q HN 0.188 nan 8.270 nan 0.000 0.420 53 P HA 0.090 nan 4.420 nan 0.000 0.274 53 P C -0.234 177.202 177.300 0.227 0.000 1.237 53 P CA -0.356 62.934 63.100 0.318 0.000 0.793 53 P CB 0.985 32.812 31.700 0.212 0.000 0.977 54 V N 2.153 122.210 119.914 0.239 0.000 2.614 54 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 54 V C 1.220 177.425 176.094 0.184 0.000 1.049 54 V CA 0.655 63.104 62.300 0.248 0.000 1.038 54 V CB 0.563 32.615 31.823 0.383 0.000 0.980 54 V HN 0.906 nan 8.190 nan 0.000 0.481 55 T N 1.202 115.848 114.554 0.153 0.000 2.742 55 T HA 0.340 4.690 4.350 -0.000 0.000 0.282 55 T C 0.467 175.211 174.700 0.074 0.000 1.025 55 T CA -0.707 61.441 62.100 0.081 0.000 1.020 55 T CB 1.629 70.517 68.868 0.033 0.000 1.317 55 T HN 0.422 nan 8.240 nan 0.000 0.538 56 Q N -0.364 119.420 119.800 -0.028 0.000 2.437 56 Q HA -0.019 4.321 4.340 -0.000 0.000 0.210 56 Q C 1.592 177.534 176.000 -0.096 0.000 0.972 56 Q CA 0.920 56.653 55.803 -0.117 0.000 0.903 56 Q CB 0.029 28.604 28.738 -0.271 0.000 0.967 56 Q HN 0.475 nan 8.270 nan 0.000 0.486 57 Q N -0.373 119.382 119.800 -0.075 0.000 2.282 57 Q HA 0.091 4.431 4.340 -0.000 0.000 0.206 57 Q C 0.017 176.001 176.000 -0.028 0.000 0.878 57 Q CA 0.288 56.018 55.803 -0.121 0.000 0.944 57 Q CB 0.916 29.557 28.738 -0.162 0.000 1.100 57 Q HN 0.176 nan 8.270 nan 0.000 0.509 58 T N 2.024 116.611 114.554 0.055 0.000 2.834 58 T HA 0.206 4.556 4.350 -0.000 0.000 0.298 58 T C 0.095 174.833 174.700 0.062 0.000 0.966 58 T CA -0.076 62.046 62.100 0.037 0.000 1.141 58 T CB 0.370 69.251 68.868 0.023 0.000 0.905 58 T HN -0.027 nan 8.240 nan 0.000 0.535 59 L N 4.356 125.574 121.223 -0.009 0.000 2.305 59 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 59 L C -0.341 176.504 176.870 -0.042 0.000 1.085 59 L CA 0.027 54.874 54.840 0.012 0.000 0.813 59 L CB 0.322 42.307 42.059 -0.123 0.000 1.157 59 L HN 0.528 nan 8.230 nan 0.000 0.436 60 F N 0.497 120.462 119.950 0.025 0.000 2.538 60 F HA 0.430 4.957 4.527 -0.000 0.000 0.325 60 F C 0.465 176.017 175.800 -0.414 0.000 1.066 60 F CA -0.912 57.059 58.000 -0.048 0.000 0.946 60 F CB 1.310 40.426 39.000 0.193 0.000 1.199 60 F HN 0.399 nan 8.300 nan 0.000 0.473 61 E N 2.462 122.128 120.200 -0.890 0.000 2.290 61 E HA 0.171 4.521 4.350 -0.000 0.000 0.277 61 E C 0.428 176.934 176.600 -0.156 0.000 1.035 61 E CA -0.062 56.006 56.400 -0.552 0.000 0.873 61 E CB 0.917 30.205 29.700 -0.688 0.000 1.029 61 E HN 0.606 nan 8.360 nan 0.000 0.419 62 L N 2.744 123.954 121.223 -0.021 0.000 2.418 62 L HA 0.081 4.420 4.340 -0.000 0.000 0.218 62 L C 1.396 178.357 176.870 0.152 0.000 1.125 62 L CA 0.459 55.360 54.840 0.101 0.000 0.835 62 L CB -0.807 41.318 42.059 0.110 0.000 0.953 62 L HN 0.904 nan 8.230 nan 0.000 0.454 63 G N 0.501 109.392 108.800 0.151 0.000 2.596 63 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.295 63 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.295 63 G C 0.795 175.843 174.900 0.246 0.000 1.240 63 G CA 0.327 45.554 45.100 0.213 0.000 0.985 63 G HN 0.198 nan 8.290 nan 0.000 0.555 64 S N -0.205 115.641 115.700 0.244 0.000 2.537 64 S HA 0.023 4.493 4.470 -0.000 0.000 0.240 64 S C 2.345 177.079 174.600 0.224 0.000 0.981 64 S CA 1.255 59.617 58.200 0.269 0.000 0.948 64 S CB -0.104 63.294 63.200 0.329 0.000 0.759 64 S HN 0.758 nan 8.310 nan 0.000 0.531 65 V N 1.636 121.670 119.914 0.199 0.000 2.867 65 V HA -0.138 3.982 4.120 -0.000 0.000 0.260 65 V C 2.132 178.348 176.094 0.202 0.000 1.099 65 V CA 1.418 63.818 62.300 0.166 0.000 1.122 65 V CB -0.796 31.149 31.823 0.203 0.000 0.708 65 V HN 0.461 nan 8.190 nan 0.000 0.490 66 S N -0.207 115.638 115.700 0.242 0.000 2.400 66 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 66 S C 1.911 176.673 174.600 0.271 0.000 1.025 66 S CA 1.292 59.668 58.200 0.294 0.000 0.993 66 S CB -0.272 63.038 63.200 0.183 0.000 0.808 66 S HN 0.639 nan 8.310 nan 0.000 0.478 67 K N 0.914 121.428 120.400 0.191 0.000 2.281 67 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 67 K C 2.415 179.050 176.600 0.058 0.000 1.046 67 K CA 1.599 57.980 56.287 0.157 0.000 0.938 67 K CB -0.469 32.147 32.500 0.193 0.000 0.737 67 K HN 0.629 nan 8.250 nan 0.000 0.458 68 T N -1.358 113.133 114.554 -0.105 0.000 2.904 68 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 68 T C 1.733 176.439 174.700 0.010 0.000 1.059 68 T CA 0.756 62.613 62.100 -0.405 0.000 1.137 68 T CB -0.342 67.859 68.868 -1.113 0.000 0.879 68 T HN 0.021 nan 8.240 nan 0.000 0.467 69 F N 2.146 122.158 119.950 0.104 0.000 2.163 69 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 69 F C 2.995 178.861 175.800 0.110 0.000 1.094 69 F CA 1.262 59.288 58.000 0.043 0.000 1.290 69 F CB -1.081 37.819 39.000 -0.166 0.000 1.017 69 F HN 0.128 nan 8.300 nan 0.000 0.483 70 T N -0.556 114.197 114.554 0.332 0.000 2.746 70 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 70 T C 2.369 177.260 174.700 0.319 0.000 1.039 70 T CA 1.417 63.723 62.100 0.344 0.000 1.142 70 T CB -1.008 68.064 68.868 0.339 0.000 0.866 70 T HN 0.438 nan 8.240 nan 0.000 0.444 71 G N 0.924 109.878 108.800 0.256 0.000 2.418 71 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 71 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 71 G C 1.696 176.756 174.900 0.268 0.000 1.158 71 G CA 0.787 46.034 45.100 0.244 0.000 0.771 71 G HN 0.433 nan 8.290 nan 0.000 0.545 72 V N 0.565 120.645 119.914 0.277 0.000 2.427 72 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 72 V C 2.660 178.877 176.094 0.205 0.000 1.051 72 V CA 1.518 63.990 62.300 0.287 0.000 1.048 72 V CB -0.263 31.829 31.823 0.450 0.000 0.666 72 V HN 0.349 nan 8.190 nan 0.000 0.456 73 L N 1.224 122.543 121.223 0.160 0.000 2.093 73 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 73 L C 2.289 179.172 176.870 0.023 0.000 1.085 73 L CA 2.350 57.204 54.840 0.023 0.000 0.755 73 L CB -1.174 40.817 42.059 -0.113 0.000 0.904 73 L HN 0.255 nan 8.230 nan 0.000 0.435 74 G N -1.143 107.726 108.800 0.115 0.000 2.402 74 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 74 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 74 G C 1.518 176.519 174.900 0.168 0.000 1.162 74 G CA 0.495 45.667 45.100 0.119 0.000 0.777 74 G HN 0.573 nan 8.290 nan 0.000 0.539 75 G N 0.743 109.659 108.800 0.193 0.000 2.440 75 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.218 75 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.218 75 G C 1.447 176.405 174.900 0.097 0.000 1.154 75 G CA 1.400 46.593 45.100 0.155 0.000 0.767 75 G HN 0.504 nan 8.290 nan 0.000 0.552 76 D N 0.483 120.928 120.400 0.075 0.000 2.144 76 D HA 0.041 4.681 4.640 -0.000 0.000 0.199 76 D C 2.633 178.939 176.300 0.009 0.000 0.984 76 D CA 1.429 55.450 54.000 0.037 0.000 0.834 76 D CB -0.257 40.556 40.800 0.021 0.000 0.955 76 D HN 0.252 nan 8.370 nan 0.000 0.465 77 A N -0.032 122.782 122.820 -0.010 0.000 1.930 77 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 77 A C 2.311 179.891 177.584 -0.006 0.000 1.175 77 A CA 0.910 52.925 52.037 -0.037 0.000 0.627 77 A CB -0.675 18.267 19.000 -0.097 0.000 0.815 77 A HN 0.382 nan 8.150 nan 0.000 0.443 78 I N -0.234 120.351 120.570 0.026 0.000 2.252 78 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 78 I C 2.938 179.080 176.117 0.041 0.000 1.102 78 I CA 1.041 62.370 61.300 0.047 0.000 1.385 78 I CB -0.337 37.712 38.000 0.081 0.000 1.064 78 I HN 0.339 nan 8.210 nan 0.000 0.414 79 A N 0.801 123.645 122.820 0.039 0.000 1.972 79 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 79 A C 2.300 179.895 177.584 0.019 0.000 1.169 79 A CA 1.374 53.429 52.037 0.031 0.000 0.635 79 A CB -0.544 18.475 19.000 0.030 0.000 0.810 79 A HN 0.344 nan 8.150 nan 0.000 0.446 80 R N -1.369 119.138 120.500 0.012 0.000 2.323 80 R HA 0.142 4.481 4.340 -0.000 0.000 0.198 80 R C 1.311 177.617 176.300 0.011 0.000 0.988 80 R CA 0.518 56.620 56.100 0.004 0.000 1.041 80 R CB -0.210 30.084 30.300 -0.009 0.000 0.926 80 R HN 0.693 nan 8.270 nan 0.000 0.476 81 G N 1.100 109.912 108.800 0.020 0.000 2.153 81 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 81 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 81 G C 0.536 175.458 174.900 0.038 0.000 0.994 81 G CA 0.608 45.726 45.100 0.030 0.000 0.698 81 G HN 0.456 nan 8.290 nan 0.000 0.521 82 E N -0.591 119.625 120.200 0.026 0.000 2.158 82 E HA 0.234 4.584 4.350 -0.000 0.000 0.191 82 E C 1.550 178.194 176.600 0.074 0.000 0.982 82 E CA 1.161 57.582 56.400 0.034 0.000 0.823 82 E CB 0.151 29.846 29.700 -0.008 0.000 0.766 82 E HN 0.906 nan 8.360 nan 0.000 0.468 83 I N -2.823 117.770 120.570 0.039 0.000 3.191 83 I HA 0.498 4.668 4.170 -0.000 0.000 0.313 83 I C -1.368 174.802 176.117 0.088 0.000 1.193 83 I CA -1.259 60.071 61.300 0.050 0.000 0.968 83 I CB 2.291 40.151 38.000 -0.232 0.000 1.262 83 I HN -0.355 nan 8.210 nan 0.000 0.456 84 K N 2.408 122.897 120.400 0.147 0.000 2.427 84 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 84 K C 0.003 176.679 176.600 0.128 0.000 0.931 84 K CA -0.757 55.606 56.287 0.126 0.000 0.793 84 K CB 2.942 35.520 32.500 0.129 0.000 1.211 84 K HN 0.607 nan 8.250 nan 0.000 0.426 85 L N 1.046 122.323 121.223 0.091 0.000 2.362 85 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 85 L C 1.863 178.761 176.870 0.047 0.000 1.134 85 L CA 1.167 56.040 54.840 0.055 0.000 0.807 85 L CB -0.244 41.799 42.059 -0.026 0.000 0.927 85 L HN 0.690 nan 8.230 nan 0.000 0.447 86 S N -2.775 112.966 115.700 0.069 0.000 2.562 86 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 86 S C 0.550 175.213 174.600 0.106 0.000 0.975 86 S CA -0.298 57.940 58.200 0.063 0.000 0.918 86 S CB -0.317 62.918 63.200 0.059 0.000 0.772 86 S HN 0.209 nan 8.310 nan 0.000 0.531 87 D N 3.769 124.268 120.400 0.166 0.000 2.382 87 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 87 D C -2.606 173.837 176.300 0.238 0.000 1.120 87 D CA -1.681 52.449 54.000 0.216 0.000 0.890 87 D CB 0.764 41.792 40.800 0.380 0.000 1.201 87 D HN 0.137 nan 8.370 nan 0.000 0.433 88 P HA 0.050 nan 4.420 nan 0.000 0.269 88 P C 0.749 178.203 177.300 0.257 0.000 1.209 88 P CA -0.064 63.157 63.100 0.202 0.000 0.776 88 P CB 0.616 32.397 31.700 0.136 0.000 0.876 89 T N 0.631 115.365 114.554 0.300 0.000 2.759 89 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 89 T C 1.481 176.314 174.700 0.221 0.000 1.042 89 T CA 1.980 64.261 62.100 0.301 0.000 1.140 89 T CB -0.870 68.183 68.868 0.308 0.000 0.864 89 T HN 0.484 nan 8.240 nan 0.000 0.455 90 T N 1.375 116.013 114.554 0.140 0.000 3.007 90 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 90 T C 1.818 176.522 174.700 0.008 0.000 1.107 90 T CA 0.888 63.020 62.100 0.053 0.000 1.118 90 T CB -0.121 68.765 68.868 0.029 0.000 0.889 90 T HN 0.451 nan 8.240 nan 0.000 0.506 91 K N 0.416 120.773 120.400 -0.071 0.000 2.147 91 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 91 K C 1.023 177.350 176.600 -0.455 0.000 1.049 91 K CA 1.332 57.423 56.287 -0.328 0.000 0.936 91 K CB -0.085 32.089 32.500 -0.545 0.000 0.722 91 K HN 0.454 nan 8.250 nan 0.000 0.446 92 Y N -2.541 117.798 120.300 0.064 0.000 2.458 92 Y HA 0.144 4.694 4.550 -0.000 0.000 0.256 92 Y C 0.097 176.056 175.900 0.097 0.000 1.159 92 Y CA -0.655 57.470 58.100 0.042 0.000 1.261 92 Y CB 0.567 39.023 38.460 -0.008 0.000 1.119 92 Y HN 0.115 nan 8.280 nan 0.000 0.524 93 W N 2.283 123.578 121.300 -0.008 0.000 2.162 93 W HA 0.407 5.067 4.660 -0.000 0.000 0.292 93 W C -2.551 173.917 176.519 -0.085 0.000 0.998 93 W CA -3.703 53.602 57.345 -0.066 0.000 1.570 93 W CB 0.957 30.333 29.460 -0.140 0.000 1.644 93 W HN -0.093 nan 8.180 nan 0.000 0.360 94 P HA -0.252 nan 4.420 nan 0.000 0.217 94 P C 0.993 178.256 177.300 -0.062 0.000 1.151 94 P CA 2.301 65.419 63.100 0.030 0.000 0.849 94 P CB 0.485 32.211 31.700 0.043 0.000 0.787 95 E N -1.267 118.872 120.200 -0.101 0.000 2.418 95 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 95 E C 0.600 176.907 176.600 -0.488 0.000 1.026 95 E CA 0.194 56.450 56.400 -0.239 0.000 0.862 95 E CB -0.644 28.968 29.700 -0.147 0.000 0.799 95 E HN 0.149 nan 8.360 nan 0.000 0.518 96 L N 1.943 122.733 121.223 -0.723 0.000 2.395 96 L HA 0.124 4.464 4.340 -0.000 0.000 0.268 96 L C 0.651 177.291 176.870 -0.383 0.000 1.223 96 L CA 0.398 54.752 54.840 -0.810 0.000 1.093 96 L CB -0.205 41.184 42.059 -1.117 0.000 1.349 96 L HN 0.053 nan 8.230 nan 0.000 0.427 97 T N -0.254 114.163 114.554 -0.227 0.000 3.040 97 T HA 0.398 4.748 4.350 -0.000 0.000 0.250 97 T C 0.903 175.619 174.700 0.027 0.000 1.058 97 T CA 0.208 62.264 62.100 -0.073 0.000 0.988 97 T CB 0.024 68.854 68.868 -0.063 0.000 0.993 97 T HN 0.532 nan 8.240 nan 0.000 0.519 98 A N 2.751 125.616 122.820 0.075 0.000 2.531 98 A HA 0.279 4.599 4.320 -0.000 0.000 0.236 98 A C 1.675 179.382 177.584 0.205 0.000 1.062 98 A CA 0.001 52.132 52.037 0.156 0.000 0.760 98 A CB 0.246 19.384 19.000 0.230 0.000 0.995 98 A HN 0.643 nan 8.150 nan 0.000 0.501 99 K N 1.517 121.981 120.400 0.107 0.000 2.209 99 K HA -0.222 4.098 4.320 -0.000 0.000 0.204 99 K C 1.401 178.035 176.600 0.057 0.000 1.048 99 K CA 1.542 57.874 56.287 0.076 0.000 0.940 99 K CB -0.101 32.415 32.500 0.026 0.000 0.729 99 K HN 0.817 nan 8.250 nan 0.000 0.451 100 Q N 0.338 120.143 119.800 0.007 0.000 2.437 100 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 100 Q C 0.764 176.666 176.000 -0.164 0.000 0.972 100 Q CA 1.096 56.810 55.803 -0.148 0.000 0.903 100 Q CB -0.429 28.107 28.738 -0.336 0.000 0.967 100 Q HN 0.592 nan 8.270 nan 0.000 0.486 101 W N 1.671 123.027 121.300 0.093 0.000 3.139 101 W HA 0.227 4.887 4.660 -0.000 0.000 0.260 101 W C 0.468 177.051 176.519 0.106 0.000 1.312 101 W CA -0.603 56.821 57.345 0.131 0.000 1.606 101 W CB 0.221 29.738 29.460 0.095 0.000 1.118 101 W HN 0.009 nan 8.180 nan 0.000 0.675 102 N N 0.830 119.658 118.700 0.214 0.000 2.452 102 N HA 0.176 4.916 4.740 -0.000 0.000 0.266 102 N C 1.016 176.611 175.510 0.141 0.000 1.209 102 N CA 1.477 54.625 53.050 0.162 0.000 0.929 102 N CB 0.818 39.368 38.487 0.105 0.000 1.063 102 N HN 0.290 nan 8.380 nan 0.000 0.472 103 G N 2.750 111.657 108.800 0.178 0.000 2.195 103 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.224 103 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.224 103 G C 0.163 175.230 174.900 0.278 0.000 0.990 103 G CA -0.468 44.746 45.100 0.190 0.000 0.639 103 G HN 0.563 nan 8.290 nan 0.000 0.514 104 I N 3.010 123.763 120.570 0.305 0.000 2.312 104 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 104 I C 1.139 177.550 176.117 0.490 0.000 1.031 104 I CA 0.139 61.698 61.300 0.431 0.000 1.293 104 I CB 1.233 39.421 38.000 0.314 0.000 1.403 104 I HN 0.308 nan 8.210 nan 0.000 0.484 105 T N 3.066 117.943 114.554 0.538 0.000 2.937 105 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 105 T C 1.221 176.037 174.700 0.193 0.000 1.012 105 T CA -0.881 61.361 62.100 0.237 0.000 0.997 105 T CB 1.435 70.318 68.868 0.024 0.000 1.136 105 T HN 0.411 nan 8.240 nan 0.000 0.551 106 L N 0.288 121.619 121.223 0.179 0.000 2.127 106 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 106 L C 2.539 179.415 176.870 0.010 0.000 1.089 106 L CA 0.921 55.881 54.840 0.199 0.000 0.757 106 L CB -0.814 41.393 42.059 0.248 0.000 0.899 106 L HN 0.597 nan 8.230 nan 0.000 0.434 107 L N -0.488 120.676 121.223 -0.098 0.000 2.012 107 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 107 L C 2.731 179.537 176.870 -0.107 0.000 1.073 107 L CA 1.927 56.639 54.840 -0.213 0.000 0.748 107 L CB -0.817 41.121 42.059 -0.200 0.000 0.891 107 L HN 0.246 nan 8.230 nan 0.000 0.431 108 H N -0.269 118.857 119.070 0.094 0.000 2.352 108 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 108 H C 2.387 177.703 175.328 -0.021 0.000 1.097 108 H CA 2.032 58.122 56.048 0.070 0.000 1.311 108 H CB -0.554 29.272 29.762 0.106 0.000 1.377 108 H HN 0.375 nan 8.280 nan 0.000 0.504 109 L N 0.160 121.462 121.223 0.131 0.000 2.017 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 109 L C 2.870 179.649 176.870 -0.152 0.000 1.073 109 L CA 1.103 55.983 54.840 0.066 0.000 0.745 109 L CB -0.614 41.554 42.059 0.182 0.000 0.894 109 L HN 0.217 nan 8.230 nan 0.000 0.432 110 A N -0.267 122.283 122.820 -0.450 0.000 2.019 110 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 110 A C 2.096 179.248 177.584 -0.719 0.000 1.164 110 A CA 2.045 53.565 52.037 -0.862 0.000 0.644 110 A CB -0.684 17.371 19.000 -1.575 0.000 0.805 110 A HN 0.539 nan 8.150 nan 0.000 0.449 111 T N -6.443 107.805 114.554 -0.510 0.000 3.129 111 T HA 0.324 4.674 4.350 -0.000 0.000 0.267 111 T C 0.290 174.759 174.700 -0.386 0.000 1.018 111 T CA 0.261 62.090 62.100 -0.451 0.000 0.903 111 T CB -0.753 68.147 68.868 0.055 0.000 1.067 111 T HN 0.689 nan 8.240 nan 0.000 0.549 112 Y N 0.960 121.232 120.300 -0.047 0.000 4.272 112 Y HA -0.273 4.277 4.550 -0.000 0.000 0.232 112 Y C 1.110 176.956 175.900 -0.089 0.000 1.149 112 Y CA 0.517 58.588 58.100 -0.048 0.000 1.961 112 Y CB -2.923 35.526 38.460 -0.019 0.000 1.611 112 Y HN 0.583 nan 8.280 nan 0.000 0.682 113 T N -4.077 110.450 114.554 -0.045 0.000 3.215 113 T HA 0.666 5.016 4.350 -0.000 0.000 0.271 113 T C 1.289 175.930 174.700 -0.098 0.000 1.012 113 T CA 0.134 62.122 62.100 -0.186 0.000 0.899 113 T CB 0.839 69.335 68.868 -0.620 0.000 1.089 113 T HN 0.477 nan 8.240 nan 0.000 0.552 114 A N 1.239 124.065 122.820 0.010 0.000 2.119 114 A HA 0.588 4.908 4.320 -0.000 0.000 0.217 114 A C 1.849 179.478 177.584 0.076 0.000 1.153 114 A CA 0.544 52.568 52.037 -0.022 0.000 0.692 114 A CB -0.729 18.253 19.000 -0.029 0.000 0.799 114 A HN 1.465 nan 8.150 nan 0.000 0.458 115 G N -2.965 105.960 108.800 0.209 0.000 2.247 115 G HA2 0.406 4.366 3.960 -0.000 0.000 0.111 115 G HA3 0.406 4.366 3.960 -0.000 0.000 0.111 115 G C 0.967 176.196 174.900 0.548 0.000 1.045 115 G CA 0.339 45.676 45.100 0.395 0.000 0.715 115 G HN 1.963 nan 8.290 nan 0.000 0.485 116 G N -0.964 108.178 108.800 0.569 0.000 2.135 116 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G C 0.456 175.617 174.900 0.436 0.000 1.004 116 G CA 0.008 45.398 45.100 0.483 0.000 0.677 116 G HN 1.243 nan 8.290 nan 0.000 0.512 117 L N 1.969 123.291 121.223 0.164 0.000 2.485 117 L HA 0.265 4.605 4.340 -0.000 0.000 0.275 117 L C -0.838 176.090 176.870 0.097 0.000 1.207 117 L CA -1.278 53.448 54.840 -0.190 0.000 0.855 117 L CB 0.427 42.299 42.059 -0.311 0.000 1.114 117 L HN 0.097 nan 8.230 nan 0.000 0.485 118 P HA -0.033 nan 4.420 nan 0.000 0.274 118 P C 0.542 177.925 177.300 0.138 0.000 1.231 118 P CA -0.525 62.686 63.100 0.186 0.000 0.790 118 P CB 1.115 32.961 31.700 0.244 0.000 0.951 119 L N 1.163 122.456 121.223 0.117 0.000 2.021 119 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 119 L C 0.863 177.776 176.870 0.071 0.000 1.074 119 L CA 2.109 56.999 54.840 0.083 0.000 0.760 119 L CB -0.697 41.423 42.059 0.101 0.000 0.889 119 L HN 0.400 nan 8.230 nan 0.000 0.433 120 Q N -0.831 119.012 119.800 0.072 0.000 2.387 120 Q HA 0.418 4.758 4.340 -0.000 0.000 0.273 120 Q C -0.879 175.121 176.000 -0.001 0.000 1.089 120 Q CA -0.861 54.968 55.803 0.044 0.000 0.824 120 Q CB 2.066 30.814 28.738 0.017 0.000 1.367 120 Q HN -0.069 nan 8.270 nan 0.000 0.443 121 V N 3.019 122.893 119.914 -0.067 0.000 2.583 121 V HA 0.180 4.300 4.120 -0.000 0.000 0.287 121 V C -1.986 173.931 176.094 -0.295 0.000 1.051 121 V CA -1.273 60.825 62.300 -0.335 0.000 1.010 121 V CB 0.720 32.365 31.823 -0.297 0.000 0.988 121 V HN 0.598 nan 8.190 nan 0.000 0.478 122 P HA 0.047 nan 4.420 nan 0.000 0.265 122 P C 0.289 177.495 177.300 -0.156 0.000 1.187 122 P CA 0.135 63.109 63.100 -0.209 0.000 0.766 122 P CB 0.492 32.073 31.700 -0.198 0.000 0.820 123 D N 1.233 121.587 120.400 -0.077 0.000 2.221 123 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 123 D C 1.238 177.511 176.300 -0.045 0.000 0.982 123 D CA 1.272 55.245 54.000 -0.045 0.000 0.857 123 D CB -0.001 40.789 40.800 -0.016 0.000 0.934 123 D HN 0.471 nan 8.370 nan 0.000 0.475 124 E N -0.521 119.649 120.200 -0.050 0.000 2.418 124 E HA -0.003 4.347 4.350 -0.000 0.000 0.197 124 E C -0.014 176.560 176.600 -0.044 0.000 1.026 124 E CA 0.141 56.521 56.400 -0.033 0.000 0.862 124 E CB 0.296 29.984 29.700 -0.019 0.000 0.799 124 E HN 0.077 nan 8.360 nan 0.000 0.518 125 V N 1.739 121.598 119.914 -0.093 0.000 2.427 125 V HA 0.072 4.192 4.120 -0.000 0.000 0.268 125 V C 0.827 176.884 176.094 -0.061 0.000 1.046 125 V CA 0.358 62.599 62.300 -0.098 0.000 0.970 125 V CB 1.145 32.823 31.823 -0.242 0.000 1.001 125 V HN 0.154 nan 8.190 nan 0.000 0.476 126 K N 2.255 122.642 120.400 -0.021 0.000 2.509 126 K HA 0.177 4.497 4.320 -0.000 0.000 0.205 126 K C 0.990 177.593 176.600 0.005 0.000 1.336 126 K CA 0.279 56.560 56.287 -0.009 0.000 0.912 126 K CB 0.323 32.822 32.500 -0.001 0.000 1.568 126 K HN 0.661 nan 8.250 nan 0.000 0.475 127 S N 1.053 116.765 115.700 0.020 0.000 2.624 127 S HA 0.026 4.496 4.470 -0.000 0.000 0.263 127 S C 1.319 175.952 174.600 0.056 0.000 1.287 127 S CA -0.025 58.194 58.200 0.031 0.000 0.990 127 S CB 1.415 64.637 63.200 0.036 0.000 0.950 127 S HN 0.282 nan 8.310 nan 0.000 0.561 128 S N 1.157 116.891 115.700 0.058 0.000 2.399 128 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 128 S C 1.809 176.507 174.600 0.164 0.000 1.022 128 S CA 1.139 59.395 58.200 0.094 0.000 0.983 128 S CB -1.119 62.116 63.200 0.057 0.000 0.803 128 S HN 0.660 nan 8.310 nan 0.000 0.480 129 S N 2.245 118.017 115.700 0.121 0.000 2.368 129 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 129 S C 1.541 176.221 174.600 0.133 0.000 1.029 129 S CA 1.309 59.582 58.200 0.123 0.000 0.988 129 S CB -0.558 62.690 63.200 0.081 0.000 0.838 129 S HN 0.557 nan 8.310 nan 0.000 0.462 130 D N 1.193 121.660 120.400 0.111 0.000 2.144 130 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 130 D C 1.858 178.257 176.300 0.167 0.000 0.984 130 D CA 0.543 54.606 54.000 0.106 0.000 0.834 130 D CB -0.379 40.455 40.800 0.057 0.000 0.955 130 D HN 0.186 nan 8.370 nan 0.000 0.465 131 L N 0.515 121.862 121.223 0.207 0.000 2.056 131 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 131 L C 2.125 179.309 176.870 0.524 0.000 1.078 131 L CA 1.050 56.094 54.840 0.341 0.000 0.749 131 L CB -0.575 41.690 42.059 0.342 0.000 0.901 131 L HN 0.005 nan 8.230 nan 0.000 0.433 132 L N -0.465 121.042 121.223 0.474 0.000 2.017 132 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 132 L C 2.682 179.630 176.870 0.130 0.000 1.073 132 L CA 1.797 56.805 54.840 0.279 0.000 0.745 132 L CB -0.660 41.513 42.059 0.189 0.000 0.894 132 L HN 0.238 nan 8.230 nan 0.000 0.432 133 R N -1.487 119.106 120.500 0.154 0.000 2.083 133 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 133 R C 2.308 178.706 176.300 0.163 0.000 1.137 133 R CA 2.050 58.224 56.100 0.122 0.000 0.951 133 R CB -0.621 29.750 30.300 0.119 0.000 0.851 133 R HN 0.480 nan 8.270 nan 0.000 0.434 134 F N 0.061 120.032 119.950 0.035 0.000 2.069 134 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 134 F C 1.494 177.315 175.800 0.036 0.000 1.113 134 F CA 1.590 59.573 58.000 -0.029 0.000 1.214 134 F CB -0.602 38.294 39.000 -0.174 0.000 0.978 134 F HN 0.027 nan 8.300 nan 0.000 0.474 135 Y N 0.434 120.727 120.300 -0.012 0.000 2.263 135 Y HA -0.144 4.406 4.550 -0.000 0.000 0.292 135 Y C 2.638 178.671 175.900 0.222 0.000 1.130 135 Y CA 1.430 59.529 58.100 -0.002 0.000 1.179 135 Y CB -0.975 37.445 38.460 -0.066 0.000 0.998 135 Y HN 0.127 nan 8.280 nan 0.000 0.532 136 Q N -0.013 119.888 119.800 0.169 0.000 2.170 136 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 136 Q C 1.271 177.388 176.000 0.195 0.000 0.976 136 Q CA 1.067 56.958 55.803 0.147 0.000 0.858 136 Q CB -0.259 28.480 28.738 0.001 0.000 0.907 136 Q HN 0.510 nan 8.270 nan 0.000 0.433 137 N N -0.842 117.943 118.700 0.141 0.000 2.373 137 N HA -0.044 4.696 4.740 -0.000 0.000 0.181 137 N C -0.044 175.507 175.510 0.068 0.000 1.082 137 N CA -0.070 53.031 53.050 0.084 0.000 0.885 137 N CB 0.038 38.565 38.487 0.067 0.000 0.977 137 N HN 0.217 nan 8.380 nan 0.000 0.462 138 W N 3.021 124.261 121.300 -0.100 0.000 2.210 138 W HA 0.110 4.770 4.660 -0.000 0.000 0.330 138 W C -0.407 176.024 176.519 -0.147 0.000 1.334 138 W CA 0.114 57.354 57.345 -0.174 0.000 1.227 138 W CB 0.570 29.879 29.460 -0.250 0.000 1.178 138 W HN -0.124 nan 8.180 nan 0.000 0.560 139 Q N 8.212 127.397 119.800 -1.025 0.000 2.331 139 Q HA 0.342 4.682 4.340 -0.000 0.000 0.267 139 Q C -2.068 173.005 176.000 -1.546 0.000 1.006 139 Q CA -2.067 53.095 55.803 -1.068 0.000 0.818 139 Q CB 1.518 29.927 28.738 -0.549 0.000 1.276 139 Q HN 0.402 nan 8.270 nan 0.000 0.450 140 P HA 0.106 nan 4.420 nan 0.000 0.272 140 P C -0.311 176.588 177.300 -0.669 0.000 1.223 140 P CA 0.032 62.465 63.100 -1.111 0.000 0.784 140 P CB 1.032 32.263 31.700 -0.781 0.000 0.923 141 A N 2.268 124.701 122.820 -0.644 0.000 2.030 141 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 141 A C 0.445 177.336 177.584 -1.155 0.000 1.164 141 A CA 0.609 52.013 52.037 -1.055 0.000 0.697 141 A CB -0.187 17.757 19.000 -1.760 0.000 0.827 141 A HN 0.596 nan 8.150 nan 0.000 0.457 142 W N -2.839 118.414 121.300 -0.078 0.000 3.042 142 W HA 0.642 5.302 4.660 -0.000 0.000 0.342 142 W C 0.004 176.467 176.519 -0.093 0.000 1.240 142 W CA -1.178 56.123 57.345 -0.073 0.000 1.166 142 W CB 0.954 30.383 29.460 -0.050 0.000 1.469 142 W HN 0.131 nan 8.180 nan 0.000 0.579 143 A N 2.014 124.926 122.820 0.154 0.000 2.346 143 A HA 0.605 4.925 4.320 -0.000 0.000 0.252 143 A C -2.301 175.290 177.584 0.013 0.000 1.089 143 A CA -0.867 51.194 52.037 0.040 0.000 0.797 143 A CB -0.689 18.332 19.000 0.035 0.000 1.047 143 A HN 0.142 nan 8.150 nan 0.000 0.494 144 P HA 0.330 nan 4.420 nan 0.000 0.271 144 P C 0.736 177.894 177.300 -0.237 0.000 1.218 144 P CA 1.543 64.457 63.100 -0.309 0.000 0.780 144 P CB 0.659 32.075 31.700 -0.473 0.000 0.901 145 G N 1.522 110.138 108.800 -0.306 0.000 2.160 145 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.251 145 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.251 145 G C 0.652 175.500 174.900 -0.087 0.000 1.008 145 G CA 0.745 45.821 45.100 -0.040 0.000 0.724 145 G HN 0.675 nan 8.290 nan 0.000 0.514 146 T N -5.087 109.371 114.554 -0.160 0.000 2.989 146 T HA 0.446 4.796 4.350 -0.000 0.000 0.250 146 T C 0.551 175.098 174.700 -0.254 0.000 0.981 146 T CA 0.789 62.815 62.100 -0.122 0.000 0.980 146 T CB 0.666 69.508 68.868 -0.043 0.000 1.133 146 T HN 0.286 nan 8.240 nan 0.000 0.489 147 Q N 0.887 120.485 119.800 -0.336 0.000 2.372 147 Q HA 0.485 4.824 4.340 -0.000 0.000 0.273 147 Q C -1.384 174.400 176.000 -0.360 0.000 1.078 147 Q CA -0.537 54.980 55.803 -0.476 0.000 0.806 147 Q CB 3.169 31.306 28.738 -1.001 0.000 1.332 147 Q HN 0.373 nan 8.270 nan 0.000 0.435 148 R N 2.086 122.408 120.500 -0.296 0.000 2.255 148 R HA 0.534 4.874 4.340 -0.000 0.000 0.326 148 R C -1.220 175.042 176.300 -0.063 0.000 0.986 148 R CA -0.542 55.475 56.100 -0.137 0.000 0.847 148 R CB 0.453 30.715 30.300 -0.064 0.000 1.111 148 R HN 0.464 nan 8.270 nan 0.000 0.452 149 L N 6.031 127.286 121.223 0.054 0.000 2.427 149 L HA 0.265 4.605 4.340 -0.000 0.000 0.264 149 L C -1.341 175.566 176.870 0.061 0.000 0.989 149 L CA -0.710 54.189 54.840 0.098 0.000 0.865 149 L CB 0.988 43.191 42.059 0.240 0.000 1.209 149 L HN 0.616 nan 8.230 nan 0.000 0.430 150 Y N 4.805 124.976 120.300 -0.215 0.000 2.895 150 Y HA 0.344 4.894 4.550 -0.000 0.000 0.334 150 Y C 0.053 175.762 175.900 -0.319 0.000 1.261 150 Y CA 0.986 58.726 58.100 -0.600 0.000 1.560 150 Y CB 0.425 38.604 38.460 -0.468 0.000 1.253 150 Y HN 0.815 nan 8.280 nan 0.000 0.582 151 A N 5.592 127.921 122.820 -0.818 0.000 2.513 151 A HA 0.288 4.608 4.320 -0.000 0.000 0.296 151 A C -0.110 177.362 177.584 -0.186 0.000 1.052 151 A CA -0.898 50.964 52.037 -0.291 0.000 0.714 151 A CB 0.829 19.828 19.000 -0.002 0.000 1.279 151 A HN 0.773 nan 8.150 nan 0.000 0.397 152 N N 1.121 119.766 118.700 -0.093 0.000 2.166 152 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 152 N C 2.028 177.606 175.510 0.112 0.000 1.019 152 N CA 1.985 55.061 53.050 0.042 0.000 0.856 152 N CB -0.119 38.456 38.487 0.146 0.000 0.993 152 N HN 0.849 nan 8.380 nan 0.000 0.426 153 S N -1.095 114.695 115.700 0.150 0.000 2.507 153 S HA 0.028 4.498 4.470 -0.000 0.000 0.235 153 S C 1.981 176.755 174.600 0.289 0.000 0.988 153 S CA 0.972 59.339 58.200 0.279 0.000 0.944 153 S CB -0.027 63.383 63.200 0.350 0.000 0.762 153 S HN 0.196 nan 8.310 nan 0.000 0.526 154 S N 1.150 116.963 115.700 0.187 0.000 2.357 154 S HA 0.259 4.729 4.470 -0.000 0.000 0.209 154 S C 1.616 176.298 174.600 0.137 0.000 1.023 154 S CA 0.417 58.713 58.200 0.160 0.000 0.933 154 S CB -0.546 62.765 63.200 0.185 0.000 0.897 154 S HN 0.558 nan 8.310 nan 0.000 0.529 155 I N 1.334 121.985 120.570 0.135 0.000 2.493 155 I HA 0.012 4.182 4.170 -0.000 0.000 0.254 155 I C 2.097 178.290 176.117 0.127 0.000 1.160 155 I CA 1.175 62.540 61.300 0.108 0.000 1.445 155 I CB -0.557 37.488 38.000 0.075 0.000 1.086 155 I HN 0.479 nan 8.210 nan 0.000 0.433 156 G N 0.971 109.815 108.800 0.073 0.000 2.418 156 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 156 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 156 G C 1.530 176.386 174.900 -0.073 0.000 1.158 156 G CA 0.896 45.975 45.100 -0.035 0.000 0.771 156 G HN 0.389 nan 8.290 nan 0.000 0.545 157 L N -0.351 120.879 121.223 0.011 0.000 2.072 157 L HA 0.197 4.537 4.340 -0.000 0.000 0.205 157 L C 2.406 179.230 176.870 -0.078 0.000 1.079 157 L CA 1.310 56.097 54.840 -0.089 0.000 0.752 157 L CB -0.748 41.210 42.059 -0.168 0.000 0.906 157 L HN 0.213 nan 8.230 nan 0.000 0.436 158 F N 0.579 120.461 119.950 -0.112 0.000 2.091 158 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 158 F C 2.176 177.905 175.800 -0.118 0.000 1.103 158 F CA 1.895 59.830 58.000 -0.108 0.000 1.228 158 F CB -1.083 37.863 39.000 -0.089 0.000 0.984 158 F HN 0.127 nan 8.300 nan 0.000 0.477 159 G N -0.396 108.271 108.800 -0.222 0.000 2.446 159 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 159 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 159 G C 1.836 176.556 174.900 -0.300 0.000 1.168 159 G CA 1.054 45.986 45.100 -0.280 0.000 0.771 159 G HN 0.678 nan 8.290 nan 0.000 0.551 160 A N 0.461 123.059 122.820 -0.369 0.000 1.902 160 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 160 A C 2.429 179.834 177.584 -0.299 0.000 1.181 160 A CA 1.319 53.160 52.037 -0.325 0.000 0.623 160 A CB -0.347 18.433 19.000 -0.367 0.000 0.818 160 A HN 0.362 nan 8.150 nan 0.000 0.443 161 L N -1.088 119.931 121.223 -0.340 0.000 2.179 161 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 161 L C 3.004 179.626 176.870 -0.413 0.000 1.096 161 L CA 0.761 55.413 54.840 -0.314 0.000 0.779 161 L CB -0.618 41.302 42.059 -0.230 0.000 0.922 161 L HN 0.415 nan 8.230 nan 0.000 0.443 162 A N 0.530 123.013 122.820 -0.562 0.000 1.978 162 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 162 A C 2.141 179.510 177.584 -0.359 0.000 1.170 162 A CA 1.967 53.635 52.037 -0.614 0.000 0.636 162 A CB -0.724 17.750 19.000 -0.876 0.000 0.810 162 A HN 0.355 nan 8.150 nan 0.000 0.448 163 V N -3.962 115.806 119.914 -0.242 0.000 3.649 163 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 163 V C 1.668 177.690 176.094 -0.121 0.000 1.281 163 V CA 0.858 63.064 62.300 -0.158 0.000 1.143 163 V CB -0.412 31.351 31.823 -0.100 0.000 0.892 163 V HN 0.235 nan 8.190 nan 0.000 0.441 164 K N 1.509 121.835 120.400 -0.123 0.000 2.032 164 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 164 K C 0.236 176.829 176.600 -0.013 0.000 1.048 164 K CA 1.947 58.199 56.287 -0.058 0.000 0.927 164 K CB -1.872 30.619 32.500 -0.014 0.000 0.712 164 K HN 0.457 nan 8.250 nan 0.000 0.441 165 P HA -0.127 nan 4.420 nan 0.000 0.216 165 P C 1.522 178.818 177.300 -0.007 0.000 1.150 165 P CA 1.665 64.786 63.100 0.035 0.000 0.837 165 P CB -0.065 31.672 31.700 0.063 0.000 0.786 166 S N -1.633 114.043 115.700 -0.038 0.000 2.447 166 S HA 0.035 4.505 4.470 -0.000 0.000 0.233 166 S C 1.897 176.470 174.600 -0.046 0.000 1.006 166 S CA 1.030 59.201 58.200 -0.049 0.000 0.957 166 S CB -1.503 61.651 63.200 -0.077 0.000 0.773 166 S HN 0.298 nan 8.310 nan 0.000 0.507 167 G N 0.682 109.455 108.800 -0.044 0.000 2.184 167 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.264 167 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.264 167 G C 0.001 174.870 174.900 -0.052 0.000 0.975 167 G CA 0.585 45.660 45.100 -0.041 0.000 0.642 167 G HN 0.580 nan 8.290 nan 0.000 0.536 168 L N 1.417 122.599 121.223 -0.068 0.000 2.421 168 L HA 0.594 4.934 4.340 -0.000 0.000 0.263 168 L C 1.501 178.325 176.870 -0.077 0.000 1.122 168 L CA -0.275 54.518 54.840 -0.079 0.000 0.804 168 L CB 1.311 43.305 42.059 -0.107 0.000 1.150 168 L HN 0.383 nan 8.230 nan 0.000 0.457 169 S N 0.183 115.841 115.700 -0.069 0.000 2.600 169 S HA 0.060 4.530 4.470 -0.000 0.000 0.265 169 S C 0.802 175.372 174.600 -0.050 0.000 1.325 169 S CA -0.368 57.806 58.200 -0.044 0.000 1.002 169 S CB 0.481 63.661 63.200 -0.032 0.000 0.921 169 S HN 0.541 nan 8.310 nan 0.000 0.554 170 F N 1.047 120.906 119.950 -0.153 0.000 2.134 170 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 170 F C 2.501 178.184 175.800 -0.195 0.000 1.097 170 F CA 2.155 60.047 58.000 -0.181 0.000 1.264 170 F CB -0.429 38.463 39.000 -0.180 0.000 1.001 170 F HN 0.933 nan 8.300 nan 0.000 0.479 171 E N -0.349 119.802 120.200 -0.082 0.000 2.077 171 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 171 E C 2.259 178.691 176.600 -0.281 0.000 0.989 171 E CA 1.362 57.651 56.400 -0.185 0.000 0.800 171 E CB -0.249 29.436 29.700 -0.025 0.000 0.746 171 E HN 0.584 nan 8.360 nan 0.000 0.452 172 Q N -0.282 119.400 119.800 -0.197 0.000 2.050 172 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 172 Q C 2.166 178.005 176.000 -0.268 0.000 0.980 172 Q CA 1.486 57.178 55.803 -0.184 0.000 0.840 172 Q CB -0.146 28.518 28.738 -0.122 0.000 0.898 172 Q HN 0.373 nan 8.270 nan 0.000 0.424 173 A N 0.427 123.055 122.820 -0.320 0.000 1.873 173 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 173 A C 1.987 179.280 177.584 -0.485 0.000 1.186 173 A CA 1.609 53.434 52.037 -0.352 0.000 0.616 173 A CB -0.508 18.280 19.000 -0.354 0.000 0.823 173 A HN 0.396 nan 8.150 nan 0.000 0.442 174 M N -0.191 118.976 119.600 -0.723 0.000 2.117 174 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 174 M C 2.141 177.825 176.300 -1.026 0.000 1.065 174 M CA 1.972 56.698 55.300 -0.956 0.000 1.114 174 M CB -0.563 31.296 32.600 -1.235 0.000 1.361 174 M HN 0.522 nan 8.290 nan 0.000 0.408 175 Q N -1.097 118.234 119.800 -0.781 0.000 2.050 175 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 175 Q C 1.936 177.747 176.000 -0.315 0.000 0.980 175 Q CA 2.333 57.819 55.803 -0.529 0.000 0.840 175 Q CB -0.378 28.176 28.738 -0.308 0.000 0.898 175 Q HN 0.777 nan 8.270 nan 0.000 0.424 176 T N -2.116 112.278 114.554 -0.267 0.000 3.043 176 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 176 T C 1.646 176.257 174.700 -0.149 0.000 1.094 176 T CA 0.438 62.436 62.100 -0.171 0.000 1.127 176 T CB 0.067 68.852 68.868 -0.138 0.000 0.905 176 T HN 0.132 nan 8.240 nan 0.000 0.490 177 R N -0.075 120.306 120.500 -0.198 0.000 2.282 177 R HA 0.377 4.717 4.340 -0.000 0.000 0.195 177 R C 1.561 177.805 176.300 -0.093 0.000 0.909 177 R CA 0.249 56.266 56.100 -0.137 0.000 1.039 177 R CB 0.420 30.629 30.300 -0.151 0.000 1.015 177 R HN 0.295 nan 8.270 nan 0.000 0.513 178 V N -0.925 118.902 119.914 -0.146 0.000 3.054 178 V HA 0.030 4.150 4.120 -0.000 0.000 0.227 178 V C 1.404 177.585 176.094 0.144 0.000 1.252 178 V CA 0.495 62.797 62.300 0.004 0.000 1.279 178 V CB -0.294 31.517 31.823 -0.021 0.000 1.118 178 V HN -0.020 nan 8.190 nan 0.000 0.504 179 F N 1.522 121.395 119.950 -0.130 0.000 2.075 179 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 179 F C 2.613 178.326 175.800 -0.144 0.000 1.113 179 F CA 1.402 59.291 58.000 -0.184 0.000 1.218 179 F CB -1.245 37.533 39.000 -0.369 0.000 0.984 179 F HN 0.195 nan 8.300 nan 0.000 0.472 180 Q N -0.215 119.613 119.800 0.046 0.000 2.050 180 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 180 Q C -0.304 175.700 176.000 0.005 0.000 0.980 180 Q CA 1.757 57.551 55.803 -0.015 0.000 0.840 180 Q CB -1.500 27.204 28.738 -0.057 0.000 0.898 180 Q HN 0.268 nan 8.270 nan 0.000 0.424 181 P HA -0.148 nan 4.420 nan 0.000 0.218 181 P C 0.652 177.982 177.300 0.050 0.000 1.148 181 P CA 1.189 64.304 63.100 0.026 0.000 0.822 181 P CB 0.055 31.772 31.700 0.027 0.000 0.784 182 L N -1.425 119.854 121.223 0.093 0.000 2.592 182 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 182 L C 0.414 177.333 176.870 0.082 0.000 1.127 182 L CA 0.138 55.049 54.840 0.118 0.000 0.884 182 L CB -0.658 41.541 42.059 0.233 0.000 1.065 182 L HN -0.036 nan 8.230 nan 0.000 0.457 183 K N 0.838 121.262 120.400 0.040 0.000 3.096 183 K HA -0.168 4.152 4.320 -0.000 0.000 0.266 183 K C -0.266 176.327 176.600 -0.011 0.000 1.043 183 K CA 0.385 56.675 56.287 0.005 0.000 0.758 183 K CB -1.732 30.776 32.500 0.013 0.000 1.260 183 K HN 0.333 nan 8.250 nan 0.000 0.481 184 L N 1.396 122.597 121.223 -0.037 0.000 2.387 184 L HA 0.125 4.465 4.340 -0.000 0.000 0.267 184 L C 0.993 177.700 176.870 -0.272 0.000 1.197 184 L CA -0.484 54.280 54.840 -0.126 0.000 1.070 184 L CB 0.137 42.077 42.059 -0.199 0.000 1.349 184 L HN 0.151 nan 8.230 nan 0.000 0.422 185 N N 0.390 118.960 118.700 -0.216 0.000 2.461 185 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 185 N C 0.622 175.726 175.510 -0.676 0.000 1.134 185 N CA 0.684 53.499 53.050 -0.391 0.000 0.878 185 N CB 0.186 38.485 38.487 -0.314 0.000 0.972 185 N HN 0.507 nan 8.380 nan 0.000 0.456 186 H N -0.977 117.984 119.070 -0.182 0.000 2.651 186 H HA 0.259 4.815 4.556 -0.000 0.000 0.241 186 H C -0.388 174.818 175.328 -0.203 0.000 1.225 186 H CA -0.098 55.911 56.048 -0.064 0.000 0.942 186 H CB 0.421 30.177 29.762 -0.010 0.000 1.996 186 H HN -0.129 nan 8.280 nan 0.000 0.600 187 T N 0.795 115.006 114.554 -0.572 0.000 2.824 187 T HA 0.370 4.720 4.350 -0.000 0.000 0.282 187 T C -0.733 173.261 174.700 -1.177 0.000 0.993 187 T CA -0.428 61.157 62.100 -0.860 0.000 0.967 187 T CB 1.495 69.602 68.868 -1.269 0.000 0.960 187 T HN 0.231 nan 8.240 nan 0.000 0.441 188 W N 1.590 122.574 121.300 -0.528 0.000 3.217 188 W HA 0.529 5.189 4.660 0.000 0.000 0.323 188 W C 0.539 176.943 176.519 -0.192 0.000 1.216 188 W CA -0.792 56.398 57.345 -0.259 0.000 1.194 188 W CB 1.137 30.447 29.460 -0.251 0.000 1.397 188 W HN 0.492 nan 8.180 nan 0.000 0.537 189 I N 1.268 121.969 120.570 0.218 0.000 2.585 189 I HA -0.008 4.162 4.170 -0.000 0.000 0.254 189 I C -0.020 176.132 176.117 0.058 0.000 1.129 189 I CA 0.801 62.160 61.300 0.098 0.000 1.455 189 I CB -0.034 38.030 38.000 0.107 0.000 1.111 189 I HN 0.336 nan 8.210 nan 0.000 0.433 190 N N 0.194 118.969 118.700 0.125 0.000 2.483 190 N HA 0.283 5.023 4.740 -0.000 0.000 0.267 190 N C -0.891 174.544 175.510 -0.125 0.000 0.998 190 N CA -0.325 52.724 53.050 -0.002 0.000 0.918 190 N CB 2.323 40.814 38.487 0.007 0.000 1.215 190 N HN -0.205 nan 8.380 nan 0.000 0.500 191 V N 4.407 124.154 119.914 -0.278 0.000 2.485 191 V HA 0.138 4.258 4.120 -0.000 0.000 0.287 191 V C -1.377 174.394 176.094 -0.538 0.000 1.022 191 V CA -0.858 61.132 62.300 -0.518 0.000 1.067 191 V CB -0.160 31.328 31.823 -0.557 0.000 0.967 191 V HN 0.611 nan 8.190 nan 0.000 0.479 192 P HA 0.277 nan 4.420 nan 0.000 0.276 192 P C -2.326 174.748 177.300 -0.378 0.000 1.252 192 P CA -1.815 60.913 63.100 -0.621 0.000 0.802 192 P CB 0.639 31.802 31.700 -0.894 0.000 1.035 193 P HA -0.201 nan 4.420 nan 0.000 0.216 193 P C 1.519 178.743 177.300 -0.127 0.000 1.154 193 P CA 2.355 65.369 63.100 -0.143 0.000 0.865 193 P CB -0.503 31.135 31.700 -0.103 0.000 0.789 194 A N -0.375 122.357 122.820 -0.148 0.000 2.070 194 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 194 A C 1.984 179.517 177.584 -0.084 0.000 1.159 194 A CA 1.478 53.458 52.037 -0.095 0.000 0.656 194 A CB -0.758 18.195 19.000 -0.078 0.000 0.800 194 A HN 0.125 nan 8.150 nan 0.000 0.453 195 E N -0.557 119.550 120.200 -0.155 0.000 2.472 195 E HA 0.000 4.350 4.350 -0.000 0.000 0.196 195 E C 1.350 177.907 176.600 -0.072 0.000 1.033 195 E CA 0.114 56.447 56.400 -0.112 0.000 0.886 195 E CB -0.017 29.558 29.700 -0.207 0.000 0.944 195 E HN 0.745 nan 8.360 nan 0.000 0.492 196 E N 1.381 121.542 120.200 -0.065 0.000 2.171 196 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 196 E C 1.953 178.574 176.600 0.034 0.000 0.997 196 E CA 1.344 57.750 56.400 0.009 0.000 0.810 196 E CB -0.065 29.636 29.700 0.003 0.000 0.738 196 E HN 0.241 nan 8.360 nan 0.000 0.467 197 K N 0.177 120.589 120.400 0.020 0.000 2.362 197 K HA -0.090 4.230 4.320 -0.000 0.000 0.200 197 K C 0.951 177.573 176.600 0.038 0.000 1.046 197 K CA 1.485 57.792 56.287 0.033 0.000 0.952 197 K CB -0.095 32.420 32.500 0.026 0.000 0.753 197 K HN 0.074 nan 8.250 nan 0.000 0.466 198 N N -0.301 118.419 118.700 0.033 0.000 2.280 198 N HA -0.005 4.735 4.740 -0.000 0.000 0.192 198 N C -0.762 174.781 175.510 0.055 0.000 1.109 198 N CA -0.364 52.704 53.050 0.031 0.000 0.855 198 N CB 0.254 38.749 38.487 0.014 0.000 0.974 198 N HN 0.203 nan 8.380 nan 0.000 0.482 199 Y N 2.322 122.546 120.300 -0.126 0.000 2.539 199 Y HA 0.326 4.876 4.550 -0.000 0.000 0.352 199 Y C 0.315 176.110 175.900 -0.175 0.000 1.004 199 Y CA -1.401 56.584 58.100 -0.192 0.000 1.278 199 Y CB 0.217 38.509 38.460 -0.279 0.000 1.136 199 Y HN -0.006 nan 8.280 nan 0.000 0.528 200 A N 6.201 129.084 122.820 0.104 0.000 2.466 200 A HA -0.001 4.319 4.320 -0.000 0.000 0.238 200 A C -1.015 176.575 177.584 0.010 0.000 1.074 200 A CA -0.186 51.866 52.037 0.025 0.000 0.774 200 A CB 0.276 19.223 19.000 -0.090 0.000 1.015 200 A HN 0.935 nan 8.150 nan 0.000 0.498 201 W N 0.411 121.723 121.300 0.021 0.000 2.313 201 W HA 0.490 5.150 4.660 -0.000 0.000 0.328 201 W C 0.864 177.096 176.519 -0.478 0.000 1.197 201 W CA 0.539 57.711 57.345 -0.290 0.000 1.235 201 W CB 1.198 30.328 29.460 -0.550 0.000 1.158 201 W HN 0.922 nan 8.180 nan 0.000 0.578 202 G N 1.196 109.788 108.800 -0.348 0.000 2.451 202 G HA2 0.528 4.488 3.960 -0.000 0.000 0.303 202 G HA3 0.528 4.488 3.960 -0.000 0.000 0.303 202 G C -2.176 172.317 174.900 -0.678 0.000 1.166 202 G CA -0.501 44.086 45.100 -0.856 0.000 0.884 202 G HN 0.413 nan 8.290 nan 0.000 0.514 203 Y N -0.215 119.991 120.300 -0.156 0.000 2.338 203 Y HA 0.555 5.105 4.550 -0.000 0.000 0.333 203 Y C 0.457 176.350 175.900 -0.013 0.000 0.968 203 Y CA -0.795 57.278 58.100 -0.046 0.000 1.123 203 Y CB 2.319 40.761 38.460 -0.030 0.000 1.165 203 Y HN 0.500 nan 8.280 nan 0.000 0.452 204 R N 3.140 123.701 120.500 0.103 0.000 2.483 204 R HA 0.286 4.625 4.340 -0.000 0.000 0.303 204 R C -0.728 175.617 176.300 0.075 0.000 0.987 204 R CA -0.301 55.850 56.100 0.085 0.000 0.881 204 R CB 0.707 31.043 30.300 0.061 0.000 1.177 204 R HN 0.836 nan 8.270 nan 0.000 0.451 205 E N 2.674 122.917 120.200 0.072 0.000 2.637 205 E HA -0.225 4.124 4.350 -0.000 0.000 0.265 205 E C 0.508 177.142 176.600 0.057 0.000 1.073 205 E CA 1.094 57.525 56.400 0.051 0.000 0.778 205 E CB -1.622 28.099 29.700 0.035 0.000 1.362 205 E HN 1.195 nan 8.360 nan 0.000 0.413 206 G N -0.091 108.764 108.800 0.092 0.000 2.189 206 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 206 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 206 G C 0.216 175.211 174.900 0.159 0.000 0.975 206 G CA 1.116 46.278 45.100 0.103 0.000 0.644 206 G HN 0.321 nan 8.290 nan 0.000 0.537 207 K N 0.578 121.050 120.400 0.119 0.000 2.159 207 K HA 0.685 5.005 4.320 -0.000 0.000 0.266 207 K C 0.463 177.026 176.600 -0.063 0.000 0.975 207 K CA -0.054 56.252 56.287 0.032 0.000 0.865 207 K CB 1.750 34.238 32.500 -0.020 0.000 1.087 207 K HN 0.430 nan 8.250 nan 0.000 0.446 208 A N 2.496 125.163 122.820 -0.255 0.000 2.451 208 A HA 0.391 4.711 4.320 -0.000 0.000 0.266 208 A C -0.036 177.341 177.584 -0.344 0.000 1.119 208 A CA -0.378 51.283 52.037 -0.628 0.000 0.786 208 A CB -0.216 18.201 19.000 -0.971 0.000 1.061 208 A HN 0.540 nan 8.150 nan 0.000 0.503 209 V N 0.905 120.761 119.914 -0.097 0.000 3.114 209 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 209 V C -0.702 175.547 176.094 0.257 0.000 1.168 209 V CA -0.853 61.516 62.300 0.115 0.000 1.015 209 V CB 1.365 33.231 31.823 0.071 0.000 1.050 209 V HN 0.958 nan 8.190 nan 0.000 0.433 210 H N 0.098 119.304 119.070 0.228 0.000 2.747 210 H HA 0.682 5.238 4.556 -0.000 0.000 0.371 210 H C -0.651 174.776 175.328 0.166 0.000 1.161 210 H CA -0.951 55.169 56.048 0.120 0.000 1.167 210 H CB 2.346 32.033 29.762 -0.125 0.000 1.732 210 H HN 0.797 nan 8.280 nan 0.000 0.544 211 V N 2.335 122.436 119.914 0.312 0.000 2.763 211 V HA 0.004 4.124 4.120 -0.000 0.000 0.306 211 V C -0.157 176.058 176.094 0.202 0.000 1.059 211 V CA 0.369 62.811 62.300 0.237 0.000 1.138 211 V CB 0.850 32.816 31.823 0.237 0.000 0.940 211 V HN 0.738 nan 8.190 nan 0.000 0.489 212 S N 7.796 123.599 115.700 0.172 0.000 2.610 212 S HA 0.509 4.979 4.470 -0.000 0.000 0.273 212 S C -2.307 172.382 174.600 0.149 0.000 1.274 212 S CA -0.747 57.538 58.200 0.141 0.000 1.023 212 S CB 1.141 64.405 63.200 0.108 0.000 0.962 212 S HN 0.881 nan 8.310 nan 0.000 0.523 213 P HA 0.432 nan 4.420 nan 0.000 0.269 213 P C -0.237 177.120 177.300 0.094 0.000 1.215 213 P CA -0.206 62.945 63.100 0.085 0.000 0.780 213 P CB 0.424 32.154 31.700 0.049 0.000 0.898 214 G N -0.399 108.450 108.800 0.082 0.000 2.673 214 G HA2 0.538 4.498 3.960 -0.000 0.000 0.292 214 G HA3 0.538 4.498 3.960 -0.000 0.000 0.292 214 G C -1.365 173.543 174.900 0.014 0.000 1.450 214 G CA -0.438 44.714 45.100 0.087 0.000 0.837 214 G HN 0.544 nan 8.290 nan 0.000 0.505 215 A N 0.382 123.198 122.820 -0.007 0.000 2.511 215 A HA 0.548 4.867 4.320 -0.000 0.000 0.242 215 A C 1.400 178.939 177.584 -0.074 0.000 1.069 215 A CA 0.454 52.464 52.037 -0.046 0.000 0.763 215 A CB -0.376 18.590 19.000 -0.056 0.000 1.001 215 A HN 1.764 nan 8.150 nan 0.000 0.498 216 L N 0.469 121.613 121.223 -0.132 0.000 4.001 216 L HA -0.319 4.021 4.340 -0.000 0.000 0.413 216 L C 1.118 177.766 176.870 -0.371 0.000 1.185 216 L CA 0.649 55.358 54.840 -0.219 0.000 0.963 216 L CB -1.765 40.224 42.059 -0.118 0.000 1.976 216 L HN 1.007 nan 8.230 nan 0.000 0.939 217 D N 0.078 120.222 120.400 -0.427 0.000 2.117 217 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 217 D C 1.969 177.849 176.300 -0.701 0.000 0.982 217 D CA 1.359 54.831 54.000 -0.879 0.000 0.828 217 D CB -0.087 40.402 40.800 -0.518 0.000 0.967 217 D HN 0.436 nan 8.370 nan 0.000 0.464 218 A N 0.891 123.473 122.820 -0.396 0.000 1.883 218 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 218 A C 2.119 179.525 177.584 -0.295 0.000 1.186 218 A CA 1.996 53.892 52.037 -0.235 0.000 0.624 218 A CB -0.724 18.222 19.000 -0.090 0.000 0.822 218 A HN 0.227 nan 8.150 nan 0.000 0.444 219 E N -0.414 119.405 120.200 -0.634 0.000 2.208 219 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 219 E C 1.931 178.384 176.600 -0.246 0.000 0.988 219 E CA 1.201 57.175 56.400 -0.709 0.000 0.828 219 E CB -0.214 28.965 29.700 -0.869 0.000 0.763 219 E HN 0.605 nan 8.360 nan 0.000 0.478 220 A N -0.381 122.289 122.820 -0.250 0.000 2.085 220 A HA 0.108 4.428 4.320 -0.000 0.000 0.208 220 A C 0.704 178.362 177.584 0.123 0.000 1.191 220 A CA 0.507 52.525 52.037 -0.033 0.000 0.799 220 A CB 0.041 19.073 19.000 0.054 0.000 0.877 220 A HN 0.404 nan 8.150 nan 0.000 0.473 221 Y N -4.321 116.005 120.300 0.043 0.000 3.070 221 Y HA 0.455 5.005 4.550 -0.000 0.000 0.254 221 Y C 0.809 176.733 175.900 0.041 0.000 1.070 221 Y CA -0.526 57.613 58.100 0.065 0.000 1.229 221 Y CB -0.464 38.040 38.460 0.075 0.000 1.264 221 Y HN -0.015 nan 8.280 nan 0.000 0.639 222 G N 0.698 109.456 108.800 -0.071 0.000 3.189 222 G HA2 0.357 4.317 3.960 -0.000 0.000 0.225 222 G HA3 0.357 4.317 3.960 -0.000 0.000 0.225 222 G C -0.196 174.685 174.900 -0.031 0.000 1.159 222 G CA 0.113 45.181 45.100 -0.054 0.000 0.763 222 G HN 0.125 nan 8.290 nan 0.000 0.549 223 V N 0.512 120.404 119.914 -0.037 0.000 2.607 223 V HA 0.434 4.554 4.120 -0.000 0.000 0.289 223 V C -0.295 175.691 176.094 -0.180 0.000 1.053 223 V CA -0.485 61.729 62.300 -0.143 0.000 0.996 223 V CB 1.529 33.172 31.823 -0.300 0.000 0.995 223 V HN 0.128 nan 8.190 nan 0.000 0.476 224 K N 2.339 122.588 120.400 -0.251 0.000 2.270 224 K HA 0.802 5.122 4.320 -0.000 0.000 0.255 224 K C -0.551 175.894 176.600 -0.258 0.000 0.936 224 K CA -0.205 55.915 56.287 -0.278 0.000 0.809 224 K CB 2.013 34.230 32.500 -0.471 0.000 1.131 224 K HN 0.715 nan 8.250 nan 0.000 0.427 225 S N 0.134 115.752 115.700 -0.136 0.000 2.615 225 S HA 0.602 5.072 4.470 -0.000 0.000 0.269 225 S C -1.211 173.444 174.600 0.092 0.000 1.161 225 S CA -0.716 57.424 58.200 -0.100 0.000 0.817 225 S CB 0.940 64.034 63.200 -0.177 0.000 1.131 225 S HN 0.680 nan 8.310 nan 0.000 0.467 226 T N 0.242 114.854 114.554 0.095 0.000 2.912 226 T HA 0.528 4.878 4.350 -0.000 0.000 0.280 226 T C 1.241 176.051 174.700 0.183 0.000 0.989 226 T CA -0.537 61.669 62.100 0.176 0.000 0.995 226 T CB 0.829 69.746 68.868 0.081 0.000 1.077 226 T HN 0.452 nan 8.240 nan 0.000 0.531 227 I N 0.741 121.437 120.570 0.210 0.000 2.394 227 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 227 I C 2.302 178.560 176.117 0.235 0.000 1.136 227 I CA 1.429 62.862 61.300 0.222 0.000 1.425 227 I CB -0.583 37.572 38.000 0.259 0.000 1.079 227 I HN 0.812 nan 8.210 nan 0.000 0.425 228 E N -0.087 120.152 120.200 0.065 0.000 2.072 228 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 228 E C 1.659 178.353 176.600 0.156 0.000 0.982 228 E CA 1.343 57.774 56.400 0.051 0.000 0.803 228 E CB -0.178 29.437 29.700 -0.142 0.000 0.755 228 E HN 0.471 nan 8.360 nan 0.000 0.453 229 D N 0.299 120.768 120.400 0.115 0.000 2.144 229 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 229 D C 1.845 178.265 176.300 0.200 0.000 0.978 229 D CA 0.927 54.994 54.000 0.113 0.000 0.833 229 D CB -0.012 40.793 40.800 0.009 0.000 0.961 229 D HN 0.076 nan 8.370 nan 0.000 0.470 230 M N 0.271 120.006 119.600 0.225 0.000 2.229 230 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 230 M C 2.206 178.695 176.300 0.316 0.000 1.063 230 M CA 0.582 56.074 55.300 0.320 0.000 1.114 230 M CB -0.992 31.778 32.600 0.284 0.000 1.387 230 M HN -0.033 nan 8.290 nan 0.000 0.420 231 A N 0.385 123.368 122.820 0.272 0.000 1.933 231 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 231 A C 2.338 180.006 177.584 0.139 0.000 1.175 231 A CA 1.398 53.553 52.037 0.196 0.000 0.628 231 A CB -0.554 18.588 19.000 0.237 0.000 0.814 231 A HN 0.458 nan 8.150 nan 0.000 0.444 232 R N -1.674 118.934 120.500 0.180 0.000 2.115 232 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 232 R C 2.154 178.564 176.300 0.184 0.000 1.111 232 R CA 1.272 57.456 56.100 0.140 0.000 0.976 232 R CB -0.365 30.023 30.300 0.147 0.000 0.870 232 R HN 0.876 nan 8.270 nan 0.000 0.445 233 W N 1.058 122.383 121.300 0.042 0.000 2.358 233 W HA -0.178 4.482 4.660 0.000 0.000 0.303 233 W C 1.461 177.922 176.519 -0.096 0.000 1.208 233 W CA 1.047 58.407 57.345 0.025 0.000 1.274 233 W CB 0.068 29.594 29.460 0.109 0.000 1.138 233 W HN -0.129 nan 8.180 nan 0.000 0.515 234 V N 1.391 121.256 119.914 -0.082 0.000 2.358 234 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 234 V C 2.378 178.150 176.094 -0.537 0.000 1.047 234 V CA 2.214 64.250 62.300 -0.439 0.000 1.035 234 V CB -0.999 30.691 31.823 -0.221 0.000 0.658 234 V HN 0.233 nan 8.190 nan 0.000 0.452 235 Q N -0.231 119.402 119.800 -0.279 0.000 2.135 235 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 235 Q C 2.473 178.293 176.000 -0.301 0.000 0.981 235 Q CA 1.956 57.605 55.803 -0.256 0.000 0.856 235 Q CB -0.275 28.385 28.738 -0.130 0.000 0.902 235 Q HN 0.595 nan 8.270 nan 0.000 0.425 236 S N 0.831 116.363 115.700 -0.280 0.000 2.383 236 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 236 S C 1.524 175.865 174.600 -0.431 0.000 1.026 236 S CA 0.880 58.920 58.200 -0.267 0.000 0.981 236 S CB -0.142 62.971 63.200 -0.145 0.000 0.818 236 S HN 0.381 nan 8.310 nan 0.000 0.472 237 N N 1.048 119.315 118.700 -0.721 0.000 2.409 237 N HA 0.139 4.879 4.740 -0.000 0.000 0.179 237 N C 1.549 176.563 175.510 -0.827 0.000 1.032 237 N CA 0.442 52.978 53.050 -0.856 0.000 0.898 237 N CB -0.091 37.641 38.487 -1.258 0.000 0.971 237 N HN 0.331 nan 8.380 nan 0.000 0.441 238 L N 0.619 121.341 121.223 -0.834 0.000 2.109 238 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 238 L C 0.385 177.078 176.870 -0.294 0.000 1.086 238 L CA 1.174 55.695 54.840 -0.531 0.000 0.760 238 L CB 0.115 41.907 42.059 -0.446 0.000 0.910 238 L HN -0.044 nan 8.230 nan 0.000 0.437 239 K N -0.355 119.883 120.400 -0.269 0.000 2.920 239 K HA 0.205 4.525 4.320 -0.000 0.000 0.175 239 K C -1.984 174.523 176.600 -0.154 0.000 1.099 239 K CA -1.170 55.011 56.287 -0.176 0.000 0.939 239 K CB 1.270 33.683 32.500 -0.145 0.000 1.148 239 K HN -0.113 nan 8.250 nan 0.000 0.613 240 P HA -0.160 nan 4.420 nan 0.000 0.221 240 P C 1.077 178.331 177.300 -0.076 0.000 1.145 240 P CA 0.920 63.952 63.100 -0.114 0.000 0.795 240 P CB 0.276 31.914 31.700 -0.103 0.000 0.775 241 L N -0.337 120.843 121.223 -0.072 0.000 2.275 241 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 241 L C 1.797 178.638 176.870 -0.049 0.000 1.119 241 L CA 1.164 55.971 54.840 -0.054 0.000 0.790 241 L CB -0.878 41.150 42.059 -0.052 0.000 0.919 241 L HN -0.083 nan 8.230 nan 0.000 0.443 242 D N 0.105 120.470 120.400 -0.058 0.000 2.347 242 D HA 0.095 4.735 4.640 -0.000 0.000 0.215 242 D C 0.808 177.085 176.300 -0.038 0.000 0.976 242 D CA 0.551 54.521 54.000 -0.049 0.000 0.884 242 D CB 0.124 40.888 40.800 -0.060 0.000 0.915 242 D HN 0.231 nan 8.370 nan 0.000 0.526 243 I N 1.815 122.363 120.570 -0.037 0.000 2.452 243 I HA -0.007 4.163 4.170 -0.000 0.000 0.287 243 I C 1.367 177.476 176.117 -0.014 0.000 1.079 243 I CA -0.386 60.902 61.300 -0.020 0.000 1.387 243 I CB 0.858 38.849 38.000 -0.016 0.000 1.404 243 I HN -0.178 nan 8.210 nan 0.000 0.522 244 N N 4.395 123.089 118.700 -0.009 0.000 2.120 244 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 244 N C 0.221 175.728 175.510 -0.006 0.000 1.024 244 N CA 1.076 54.121 53.050 -0.008 0.000 0.852 244 N CB -0.077 38.406 38.487 -0.007 0.000 1.003 244 N HN 0.561 nan 8.380 nan 0.000 0.424 245 E N 1.509 121.709 120.200 -0.001 0.000 2.292 245 E HA 0.055 4.404 4.350 -0.000 0.000 0.265 245 E C 0.859 177.460 176.600 0.001 0.000 1.093 245 E CA 0.097 56.497 56.400 -0.000 0.000 0.922 245 E CB 0.619 30.321 29.700 0.003 0.000 1.001 245 E HN 0.175 nan 8.360 nan 0.000 0.444 246 K N 1.370 121.769 120.400 -0.002 0.000 2.044 246 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 246 K C 1.908 178.510 176.600 0.004 0.000 1.049 246 K CA 1.960 58.246 56.287 -0.001 0.000 0.927 246 K CB -0.263 32.236 32.500 -0.003 0.000 0.713 246 K HN 0.600 nan 8.250 nan 0.000 0.443 247 T N 0.029 114.586 114.554 0.005 0.000 2.915 247 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 247 T C 1.811 176.523 174.700 0.021 0.000 1.071 247 T CA 0.709 62.816 62.100 0.011 0.000 1.132 247 T CB -0.110 68.761 68.868 0.005 0.000 0.878 247 T HN 0.038 nan 8.240 nan 0.000 0.479 248 L N 0.924 122.160 121.223 0.022 0.000 2.131 248 L HA 0.193 4.532 4.340 -0.000 0.000 0.206 248 L C 2.752 179.643 176.870 0.035 0.000 1.087 248 L CA 1.550 56.415 54.840 0.041 0.000 0.767 248 L CB -0.917 41.170 42.059 0.047 0.000 0.917 248 L HN 0.341 nan 8.230 nan 0.000 0.441 249 Q N -0.796 119.013 119.800 0.015 0.000 2.061 249 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 249 Q C 2.140 178.143 176.000 0.005 0.000 0.984 249 Q CA 2.225 58.027 55.803 -0.001 0.000 0.846 249 Q CB -0.109 28.623 28.738 -0.010 0.000 0.902 249 Q HN 0.646 nan 8.270 nan 0.000 0.421 250 Q N -0.644 119.164 119.800 0.014 0.000 2.119 250 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 250 Q C 2.038 178.066 176.000 0.046 0.000 0.972 250 Q CA 1.258 57.075 55.803 0.023 0.000 0.847 250 Q CB -0.240 28.511 28.738 0.022 0.000 0.903 250 Q HN 0.575 nan 8.270 nan 0.000 0.433 251 G N 0.804 109.639 108.800 0.058 0.000 2.422 251 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 251 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 251 G C 1.390 176.357 174.900 0.112 0.000 1.146 251 G CA 0.594 45.749 45.100 0.092 0.000 0.769 251 G HN 0.240 nan 8.290 nan 0.000 0.547 252 I N 0.182 120.799 120.570 0.078 0.000 2.286 252 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 252 I C 3.000 179.149 176.117 0.054 0.000 1.115 252 I CA 1.084 62.419 61.300 0.058 0.000 1.392 252 I CB -0.250 37.726 38.000 -0.040 0.000 1.065 252 I HN 0.247 nan 8.210 nan 0.000 0.418 253 Q N 0.501 120.318 119.800 0.029 0.000 2.079 253 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 253 Q C 2.386 178.420 176.000 0.057 0.000 0.974 253 Q CA 1.286 57.099 55.803 0.017 0.000 0.840 253 Q CB -0.093 28.644 28.738 -0.003 0.000 0.898 253 Q HN 0.529 nan 8.270 nan 0.000 0.430 254 L N 0.023 121.303 121.223 0.096 0.000 2.141 254 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 254 L C 2.352 179.376 176.870 0.257 0.000 1.094 254 L CA 0.737 55.671 54.840 0.156 0.000 0.763 254 L CB -0.463 41.697 42.059 0.168 0.000 0.908 254 L HN 0.195 nan 8.230 nan 0.000 0.437 255 A N -0.806 122.164 122.820 0.251 0.000 2.066 255 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 255 A C 2.022 179.837 177.584 0.385 0.000 1.157 255 A CA 0.978 53.222 52.037 0.344 0.000 0.670 255 A CB -0.191 19.044 19.000 0.392 0.000 0.804 255 A HN 0.473 nan 8.150 nan 0.000 0.453 256 Q N -0.013 119.927 119.800 0.235 0.000 2.247 256 Q HA 0.199 4.539 4.340 -0.000 0.000 0.204 256 Q C -0.140 175.886 176.000 0.044 0.000 0.872 256 Q CA -0.326 55.558 55.803 0.135 0.000 0.951 256 Q CB 0.449 29.189 28.738 0.003 0.000 1.099 256 Q HN 0.482 nan 8.270 nan 0.000 0.501 257 S N 0.953 116.660 115.700 0.012 0.000 2.585 257 S HA 0.215 4.685 4.470 -0.000 0.000 0.273 257 S C 0.066 174.467 174.600 -0.331 0.000 1.339 257 S CA -0.154 57.896 58.200 -0.251 0.000 1.028 257 S CB 0.565 63.476 63.200 -0.482 0.000 0.906 257 S HN 0.235 nan 8.310 nan 0.000 0.528 258 R N 1.558 121.840 120.500 -0.363 0.000 2.204 258 R HA 0.240 4.580 4.340 -0.000 0.000 0.341 258 R C -0.350 175.763 176.300 -0.311 0.000 1.035 258 R CA -0.143 55.850 56.100 -0.177 0.000 0.887 258 R CB 0.382 30.581 30.300 -0.168 0.000 1.114 258 R HN 0.686 nan 8.270 nan 0.000 0.473 259 Y N 0.680 120.977 120.300 -0.005 0.000 2.436 259 Y HA 0.123 4.673 4.550 -0.000 0.000 0.288 259 Y C 0.164 175.731 175.900 -0.555 0.000 1.112 259 Y CA 0.387 58.315 58.100 -0.286 0.000 1.220 259 Y CB 0.506 38.805 38.460 -0.269 0.000 1.073 259 Y HN 0.462 nan 8.280 nan 0.000 0.552 260 W N -0.284 121.181 121.300 0.275 0.000 3.107 260 W HA 0.553 5.213 4.660 0.000 0.000 0.331 260 W C -0.899 175.720 176.519 0.167 0.000 1.204 260 W CA -1.005 56.456 57.345 0.193 0.000 1.184 260 W CB 1.159 30.717 29.460 0.163 0.000 1.421 260 W HN -0.456 nan 8.180 nan 0.000 0.544 261 Q N 1.363 121.357 119.800 0.323 0.000 2.340 261 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 261 Q C -1.219 174.794 176.000 0.021 0.000 1.031 261 Q CA -0.454 55.366 55.803 0.027 0.000 0.804 261 Q CB 2.351 31.040 28.738 -0.081 0.000 1.286 261 Q HN 0.432 nan 8.270 nan 0.000 0.448 262 T N 2.772 117.286 114.554 -0.066 0.000 2.906 262 T HA 0.624 4.974 4.350 -0.000 0.000 0.302 262 T C 0.326 174.965 174.700 -0.101 0.000 1.002 262 T CA 0.742 62.812 62.100 -0.050 0.000 0.988 262 T CB 0.586 69.445 68.868 -0.016 0.000 0.972 262 T HN 1.048 nan 8.240 nan 0.000 0.447 263 G N 5.431 114.173 108.800 -0.097 0.000 2.556 263 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.283 263 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.283 263 G C 0.323 175.128 174.900 -0.157 0.000 1.177 263 G CA 0.663 45.703 45.100 -0.101 0.000 0.978 263 G HN 0.970 nan 8.290 nan 0.000 0.554 264 D N 0.219 120.536 120.400 -0.138 0.000 2.342 264 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 264 D C 1.078 177.269 176.300 -0.182 0.000 1.101 264 D CA 0.369 54.282 54.000 -0.145 0.000 0.837 264 D CB 0.075 40.827 40.800 -0.080 0.000 0.938 264 D HN 0.571 nan 8.370 nan 0.000 0.508 265 M N 0.623 120.088 119.600 -0.224 0.000 2.472 265 M HA 0.428 4.908 4.480 -0.000 0.000 0.331 265 M C -1.701 174.427 176.300 -0.287 0.000 1.170 265 M CA -0.692 54.543 55.300 -0.109 0.000 1.009 265 M CB 1.837 34.467 32.600 0.049 0.000 1.672 265 M HN -0.192 nan 8.290 nan 0.000 0.453 266 Y N 1.541 121.945 120.300 0.174 0.000 2.409 266 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 266 Y C -0.395 175.662 175.900 0.262 0.000 0.973 266 Y CA -0.715 57.502 58.100 0.193 0.000 1.064 266 Y CB 1.668 40.208 38.460 0.133 0.000 1.207 266 Y HN 0.550 nan 8.280 nan 0.000 0.452 267 Q N 1.897 121.972 119.800 0.458 0.000 2.296 267 Q HA 0.576 4.916 4.340 -0.000 0.000 0.257 267 Q C -0.011 176.286 176.000 0.496 0.000 0.942 267 Q CA -0.205 55.874 55.803 0.460 0.000 0.939 267 Q CB 1.221 30.246 28.738 0.478 0.000 1.198 267 Q HN 0.898 nan 8.270 nan 0.000 0.429 268 G N 2.798 111.865 108.800 0.445 0.000 2.782 268 G HA2 0.487 4.447 3.960 -0.000 0.000 0.201 268 G HA3 0.487 4.447 3.960 -0.000 0.000 0.201 268 G C -0.931 174.156 174.900 0.310 0.000 1.374 268 G CA -0.806 44.584 45.100 0.482 0.000 1.039 268 G HN 0.589 nan 8.290 nan 0.000 0.576 269 L N 1.114 122.489 121.223 0.254 0.000 2.272 269 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 269 L C 1.334 178.255 176.870 0.084 0.000 1.045 269 L CA 0.431 55.284 54.840 0.022 0.000 0.842 269 L CB 0.548 42.616 42.059 0.015 0.000 1.224 269 L HN 1.043 nan 8.230 nan 0.000 0.430 270 G N 2.138 110.959 108.800 0.035 0.000 3.909 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 270 G C 0.011 174.962 174.900 0.086 0.000 1.404 270 G CA -0.221 44.896 45.100 0.029 0.000 0.905 270 G HN 0.505 nan 8.290 nan 0.000 0.589 271 W N 2.314 123.751 121.300 0.227 0.000 2.137 271 W HA 0.576 5.236 4.660 -0.000 0.000 0.344 271 W C 0.833 177.505 176.519 0.256 0.000 1.286 271 W CA -0.194 57.282 57.345 0.218 0.000 1.240 271 W CB 0.415 29.973 29.460 0.162 0.000 1.141 271 W HN 0.325 nan 8.180 nan 0.000 0.579 272 E N 1.456 122.015 120.200 0.598 0.000 2.227 272 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 272 E C -0.868 176.025 176.600 0.488 0.000 0.907 272 E CA -1.120 55.592 56.400 0.520 0.000 0.786 272 E CB 1.813 31.820 29.700 0.512 0.000 1.191 272 E HN 0.178 nan 8.360 nan 0.000 0.411 273 M N 1.860 121.697 119.600 0.395 0.000 2.550 273 M HA 0.479 4.959 4.480 -0.000 0.000 0.292 273 M C -1.590 174.925 176.300 0.359 0.000 1.221 273 M CA -0.378 55.093 55.300 0.286 0.000 0.873 273 M CB 1.809 34.518 32.600 0.181 0.000 1.727 273 M HN 0.302 nan 8.290 nan 0.000 0.459 274 L N 0.409 121.810 121.223 0.297 0.000 2.393 274 L HA 0.562 4.902 4.340 -0.000 0.000 0.260 274 L C -0.795 176.236 176.870 0.268 0.000 1.002 274 L CA -0.705 54.318 54.840 0.305 0.000 0.818 274 L CB 1.906 44.056 42.059 0.150 0.000 1.369 274 L HN 0.544 nan 8.230 nan 0.000 0.412 275 D N 0.691 121.238 120.400 0.244 0.000 2.399 275 D HA -0.005 4.635 4.640 -0.000 0.000 0.241 275 D C -0.937 175.478 176.300 0.192 0.000 1.133 275 D CA 0.163 54.266 54.000 0.171 0.000 0.890 275 D CB 1.162 42.032 40.800 0.116 0.000 1.201 275 D HN 0.358 nan 8.370 nan 0.000 0.432 276 W N 4.241 125.593 121.300 0.085 0.000 2.469 276 W HA 0.287 4.947 4.660 -0.000 0.000 0.320 276 W C -2.292 174.275 176.519 0.080 0.000 1.086 276 W CA -1.802 55.613 57.345 0.117 0.000 1.211 276 W CB 1.163 30.704 29.460 0.136 0.000 1.298 276 W HN 0.234 nan 8.180 nan 0.000 0.525 277 P HA 0.134 nan 4.420 nan 0.000 0.275 277 P C -0.946 175.953 177.300 -0.668 0.000 1.228 277 P CA -0.123 62.089 63.100 -1.481 0.000 0.786 277 P CB 2.321 33.411 31.700 -1.017 0.000 0.927 278 V N 2.127 121.670 119.914 -0.620 0.000 2.850 278 V HA 0.333 4.453 4.120 -0.000 0.000 0.315 278 V C -0.008 175.789 176.094 -0.495 0.000 1.064 278 V CA -1.004 61.068 62.300 -0.379 0.000 0.979 278 V CB 1.613 33.258 31.823 -0.296 0.000 1.039 278 V HN 0.669 nan 8.190 nan 0.000 0.452 279 N N 5.923 124.366 118.700 -0.428 0.000 2.411 279 N HA 0.328 5.068 4.740 -0.000 0.000 0.259 279 N C -1.584 173.533 175.510 -0.655 0.000 1.103 279 N CA -1.832 50.946 53.050 -0.453 0.000 0.954 279 N CB 1.719 40.026 38.487 -0.299 0.000 1.085 279 N HN 0.475 nan 8.380 nan 0.000 0.485 280 P HA -0.106 nan 4.420 nan 0.000 0.217 280 P C 0.377 177.298 177.300 -0.631 0.000 1.150 280 P CA 1.062 63.461 63.100 -1.169 0.000 0.832 280 P CB 0.516 31.110 31.700 -1.842 0.000 0.787 281 D N -0.290 119.842 120.400 -0.445 0.000 2.218 281 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 281 D C 2.160 178.317 176.300 -0.238 0.000 0.976 281 D CA 1.021 54.853 54.000 -0.280 0.000 0.853 281 D CB -0.362 40.316 40.800 -0.204 0.000 0.939 281 D HN 0.176 nan 8.370 nan 0.000 0.481 282 S N 0.719 116.260 115.700 -0.265 0.000 2.356 282 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 282 S C 2.216 176.714 174.600 -0.170 0.000 1.032 282 S CA 0.970 59.051 58.200 -0.198 0.000 1.005 282 S CB -0.190 62.891 63.200 -0.198 0.000 0.867 282 S HN 0.395 nan 8.310 nan 0.000 0.449 283 I N -1.040 119.385 120.570 -0.242 0.000 2.500 283 I HA 0.022 4.192 4.170 -0.000 0.000 0.252 283 I C 2.080 178.150 176.117 -0.078 0.000 1.142 283 I CA 1.062 62.280 61.300 -0.136 0.000 1.451 283 I CB -0.529 37.303 38.000 -0.279 0.000 1.093 283 I HN 0.238 nan 8.210 nan 0.000 0.430 284 I N 2.330 122.803 120.570 -0.161 0.000 2.133 284 I HA -0.245 3.925 4.170 -0.000 0.000 0.238 284 I C 2.270 178.334 176.117 -0.089 0.000 1.074 284 I CA 2.107 63.338 61.300 -0.115 0.000 1.342 284 I CB -0.716 37.201 38.000 -0.138 0.000 1.053 284 I HN 0.284 nan 8.210 nan 0.000 0.404 285 N N 0.635 119.275 118.700 -0.099 0.000 2.166 285 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 285 N C 1.905 177.378 175.510 -0.061 0.000 1.019 285 N CA 1.043 54.047 53.050 -0.076 0.000 0.856 285 N CB -0.318 38.121 38.487 -0.080 0.000 0.993 285 N HN 0.404 nan 8.380 nan 0.000 0.426 286 G N 0.426 109.193 108.800 -0.055 0.000 2.509 286 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 286 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 286 G C 1.530 176.417 174.900 -0.023 0.000 1.124 286 G CA 0.926 46.008 45.100 -0.031 0.000 0.776 286 G HN 0.426 nan 8.290 nan 0.000 0.547 287 S N -0.453 115.231 115.700 -0.028 0.000 2.528 287 S HA 0.030 4.500 4.470 -0.000 0.000 0.219 287 S C 0.771 175.323 174.600 -0.081 0.000 0.985 287 S CA -0.033 58.136 58.200 -0.051 0.000 0.914 287 S CB 0.037 63.202 63.200 -0.057 0.000 0.776 287 S HN 0.270 nan 8.310 nan 0.000 0.526 288 D N 2.024 122.383 120.400 -0.069 0.000 2.455 288 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 288 D C 0.535 176.795 176.300 -0.068 0.000 1.138 288 D CA 0.213 54.175 54.000 -0.064 0.000 0.877 288 D CB 0.355 41.125 40.800 -0.050 0.000 1.187 288 D HN 0.361 nan 8.370 nan 0.000 0.451 289 N N 2.476 121.136 118.700 -0.066 0.000 2.348 289 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 289 N C 1.324 176.807 175.510 -0.044 0.000 1.019 289 N CA 0.711 53.722 53.050 -0.066 0.000 0.880 289 N CB 0.270 38.727 38.487 -0.050 0.000 0.965 289 N HN 0.422 nan 8.380 nan 0.000 0.437 290 K N 0.492 120.872 120.400 -0.034 0.000 2.103 290 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 290 K C 1.637 178.222 176.600 -0.025 0.000 1.048 290 K CA 1.030 57.303 56.287 -0.022 0.000 0.930 290 K CB 0.029 32.517 32.500 -0.021 0.000 0.716 290 K HN 0.285 nan 8.250 nan 0.000 0.444 291 I N -0.057 120.490 120.570 -0.038 0.000 2.729 291 I HA -0.058 4.112 4.170 -0.000 0.000 0.256 291 I C 2.337 178.424 176.117 -0.050 0.000 1.115 291 I CA 0.328 61.604 61.300 -0.039 0.000 1.446 291 I CB -0.120 37.856 38.000 -0.041 0.000 1.176 291 I HN 0.036 nan 8.210 nan 0.000 0.446 292 A N 0.910 123.685 122.820 -0.076 0.000 2.024 292 A HA -0.095 4.224 4.320 -0.000 0.000 0.220 292 A C 2.065 179.564 177.584 -0.141 0.000 1.164 292 A CA 1.386 53.346 52.037 -0.129 0.000 0.643 292 A CB -0.603 18.281 19.000 -0.193 0.000 0.806 292 A HN 0.442 nan 8.150 nan 0.000 0.451 293 L N -1.168 120.008 121.223 -0.079 0.000 2.640 293 L HA 0.292 4.632 4.340 -0.000 0.000 0.230 293 L C 1.069 177.957 176.870 0.031 0.000 1.123 293 L CA -0.112 54.722 54.840 -0.010 0.000 0.900 293 L CB -0.180 41.885 42.059 0.010 0.000 1.146 293 L HN 0.342 nan 8.230 nan 0.000 0.484 294 A N 0.793 123.618 122.820 0.007 0.000 2.340 294 A HA 0.685 5.005 4.320 -0.000 0.000 0.268 294 A C 0.456 178.040 177.584 -0.001 0.000 1.100 294 A CA -0.218 51.830 52.037 0.018 0.000 0.803 294 A CB 0.515 19.515 19.000 -0.001 0.000 1.043 294 A HN 0.194 nan 8.150 nan 0.000 0.488 295 A N 2.244 125.062 122.820 -0.003 0.000 2.477 295 A HA 0.562 4.882 4.320 -0.000 0.000 0.246 295 A C 0.383 177.860 177.584 -0.179 0.000 1.078 295 A CA -0.033 51.922 52.037 -0.138 0.000 0.770 295 A CB 0.118 18.948 19.000 -0.283 0.000 1.011 295 A HN 0.746 nan 8.150 nan 0.000 0.494 296 R N 2.082 122.453 120.500 -0.215 0.000 2.673 296 R HA 0.474 4.814 4.340 -0.000 0.000 0.281 296 R C -3.128 173.038 176.300 -0.223 0.000 0.991 296 R CA -1.993 54.002 56.100 -0.174 0.000 0.896 296 R CB 2.068 32.310 30.300 -0.096 0.000 1.201 296 R HN 0.542 nan 8.270 nan 0.000 0.457 297 P HA 0.111 nan 4.420 nan 0.000 0.275 297 P C -0.231 177.010 177.300 -0.099 0.000 1.227 297 P CA -0.263 62.730 63.100 -0.178 0.000 0.781 297 P CB 0.937 32.560 31.700 -0.128 0.000 0.906 298 V N -0.102 119.765 119.914 -0.077 0.000 2.815 298 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 298 V C -0.217 175.994 176.094 0.196 0.000 1.064 298 V CA -1.070 61.264 62.300 0.058 0.000 0.952 298 V CB 2.095 33.925 31.823 0.012 0.000 1.020 298 V HN 0.299 nan 8.190 nan 0.000 0.439 299 K N 2.392 122.954 120.400 0.270 0.000 2.235 299 K HA 0.756 5.076 4.320 -0.000 0.000 0.266 299 K C -0.056 176.768 176.600 0.374 0.000 0.980 299 K CA -0.373 56.069 56.287 0.259 0.000 0.849 299 K CB 2.020 34.605 32.500 0.143 0.000 1.098 299 K HN 1.064 nan 8.250 nan 0.000 0.445 300 A N 4.037 127.047 122.820 0.317 0.000 2.477 300 A HA 0.242 4.562 4.320 -0.000 0.000 0.246 300 A C 0.027 177.560 177.584 -0.085 0.000 1.078 300 A CA -0.175 51.828 52.037 -0.057 0.000 0.770 300 A CB -0.124 18.824 19.000 -0.088 0.000 1.011 300 A HN 0.748 nan 8.150 nan 0.000 0.494 301 I N 2.767 123.211 120.570 -0.209 0.000 2.307 301 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 301 I C -0.235 175.784 176.117 -0.164 0.000 1.054 301 I CA 0.062 61.294 61.300 -0.113 0.000 1.218 301 I CB 1.203 39.157 38.000 -0.078 0.000 1.398 301 I HN 0.539 nan 8.210 nan 0.000 0.475 302 T N 6.505 120.998 114.554 -0.101 0.000 2.874 302 T HA 0.410 4.760 4.350 -0.000 0.000 0.321 302 T C -1.668 172.995 174.700 -0.062 0.000 1.075 302 T CA -0.963 61.085 62.100 -0.087 0.000 0.966 302 T CB 0.762 69.598 68.868 -0.054 0.000 1.001 302 T HN 0.452 nan 8.240 nan 0.000 0.476 303 P HA 0.536 nan 4.420 nan 0.000 0.281 303 P C -3.050 174.164 177.300 -0.143 0.000 1.281 303 P CA -2.090 60.953 63.100 -0.094 0.000 0.811 303 P CB -0.002 31.657 31.700 -0.069 0.000 1.154 304 P HA 0.094 nan 4.420 nan 0.000 0.268 304 P C -0.360 176.776 177.300 -0.274 0.000 1.205 304 P CA 0.332 63.231 63.100 -0.335 0.000 0.771 304 P CB -0.029 31.300 31.700 -0.620 0.000 0.858 305 T N 5.441 119.838 114.554 -0.263 0.000 2.814 305 T HA 0.231 4.581 4.350 -0.000 0.000 0.297 305 T C -2.114 172.453 174.700 -0.222 0.000 0.956 305 T CA -0.988 60.986 62.100 -0.210 0.000 1.123 305 T CB -0.175 68.566 68.868 -0.212 0.000 0.902 305 T HN 0.275 nan 8.240 nan 0.000 0.528 306 P HA 0.198 nan 4.420 nan 0.000 0.270 306 P C -0.508 176.714 177.300 -0.129 0.000 1.223 306 P CA -0.463 62.556 63.100 -0.135 0.000 0.785 306 P CB 0.314 31.957 31.700 -0.094 0.000 0.923 307 A N 2.437 125.195 122.820 -0.103 0.000 2.583 307 A HA 0.031 4.350 4.320 -0.000 0.000 0.249 307 A C 0.180 177.708 177.584 -0.093 0.000 1.035 307 A CA 0.293 52.276 52.037 -0.091 0.000 0.777 307 A CB -0.860 18.101 19.000 -0.065 0.000 0.942 307 A HN 0.372 nan 8.150 nan 0.000 0.516 308 V N 6.033 125.883 119.914 -0.106 0.000 2.432 308 V HA 0.116 4.236 4.120 -0.000 0.000 0.271 308 V C 1.554 177.609 176.094 -0.066 0.000 1.046 308 V CA -0.208 62.038 62.300 -0.091 0.000 0.945 308 V CB 0.836 32.588 31.823 -0.118 0.000 0.992 308 V HN 1.056 nan 8.190 nan 0.000 0.471 309 R N 3.610 124.080 120.500 -0.050 0.000 2.096 309 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 309 R C 1.319 177.605 176.300 -0.023 0.000 1.127 309 R CA 1.316 57.388 56.100 -0.045 0.000 0.968 309 R CB -0.053 30.220 30.300 -0.045 0.000 0.861 309 R HN 0.740 nan 8.270 nan 0.000 0.440 310 A N 1.598 124.432 122.820 0.022 0.000 3.063 310 A HA 0.253 4.573 4.320 -0.000 0.000 0.263 310 A C -0.563 177.126 177.584 0.175 0.000 1.736 310 A CA 0.082 52.190 52.037 0.118 0.000 1.408 310 A CB 0.053 19.142 19.000 0.148 0.000 1.108 310 A HN 0.054 nan 8.150 nan 0.000 0.621 311 S N 0.457 116.229 115.700 0.120 0.000 2.569 311 S HA 0.540 5.010 4.470 -0.000 0.000 0.280 311 S C -1.035 173.654 174.600 0.149 0.000 1.111 311 S CA -0.597 57.688 58.200 0.142 0.000 0.887 311 S CB 1.254 64.447 63.200 -0.012 0.000 1.095 311 S HN 0.690 nan 8.310 nan 0.000 0.476 312 W N 3.711 125.040 121.300 0.049 0.000 2.308 312 W HA 0.580 5.240 4.660 -0.000 0.000 0.311 312 W C -1.874 174.498 176.519 -0.244 0.000 1.088 312 W CA -0.500 56.824 57.345 -0.034 0.000 1.309 312 W CB 0.607 30.144 29.460 0.129 0.000 1.229 312 W HN 0.348 nan 8.180 nan 0.000 0.427 313 V N 7.566 127.023 119.914 -0.762 0.000 2.459 313 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 313 V C -0.048 175.618 176.094 -0.715 0.000 1.029 313 V CA -0.349 61.464 62.300 -0.812 0.000 0.874 313 V CB 1.350 32.182 31.823 -1.652 0.000 0.985 313 V HN 0.694 nan 8.190 nan 0.000 0.438 314 H N 2.514 121.512 119.070 -0.120 0.000 2.948 314 H HA 0.894 5.450 4.556 -0.000 0.000 0.315 314 H C -1.329 174.269 175.328 0.450 0.000 1.360 314 H CA -1.282 54.827 56.048 0.101 0.000 1.125 314 H CB 2.160 32.007 29.762 0.140 0.000 1.844 314 H HN 0.444 nan 8.280 nan 0.000 0.529 315 K N 1.107 121.638 120.400 0.219 0.000 2.570 315 K HA 0.258 4.578 4.320 -0.000 0.000 0.256 315 K C -1.424 175.290 176.600 0.190 0.000 0.939 315 K CA -0.017 56.343 56.287 0.122 0.000 0.833 315 K CB 2.084 34.644 32.500 0.100 0.000 1.318 315 K HN 0.926 nan 8.250 nan 0.000 0.433 316 T N -0.041 114.625 114.554 0.186 0.000 2.918 316 T HA 0.863 5.213 4.350 -0.000 0.000 0.283 316 T C 0.314 175.113 174.700 0.166 0.000 1.001 316 T CA -0.487 61.764 62.100 0.253 0.000 1.041 316 T CB 1.626 70.547 68.868 0.088 0.000 1.028 316 T HN 0.637 nan 8.240 nan 0.000 0.511 317 G N -0.543 108.359 108.800 0.171 0.000 2.706 317 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 317 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 317 G C -1.483 173.506 174.900 0.149 0.000 1.403 317 G CA -0.628 44.572 45.100 0.167 0.000 0.954 317 G HN 1.135 nan 8.290 nan 0.000 0.500 318 A N 0.510 123.416 122.820 0.144 0.000 2.594 318 A HA 0.985 5.305 4.320 -0.000 0.000 0.295 318 A C -0.044 177.625 177.584 0.140 0.000 1.071 318 A CA 0.049 52.173 52.037 0.146 0.000 0.685 318 A CB 1.715 20.766 19.000 0.085 0.000 1.285 318 A HN 1.830 nan 8.150 nan 0.000 0.405 319 T N -2.189 112.484 114.554 0.200 0.000 2.742 319 T HA 0.634 4.984 4.350 -0.000 0.000 0.282 319 T C 1.299 176.107 174.700 0.180 0.000 1.025 319 T CA 0.124 62.321 62.100 0.162 0.000 1.020 319 T CB 0.973 69.989 68.868 0.246 0.000 1.317 319 T HN 1.585 nan 8.240 nan 0.000 0.538 320 G N -0.176 108.714 108.800 0.151 0.000 2.469 320 G HA2 0.122 4.082 3.960 -0.000 0.000 0.219 320 G HA3 0.122 4.082 3.960 -0.000 0.000 0.219 320 G C 1.171 176.165 174.900 0.157 0.000 1.150 320 G CA 0.691 45.869 45.100 0.129 0.000 0.763 320 G HN 1.187 nan 8.290 nan 0.000 0.561 321 G N -1.380 107.559 108.800 0.231 0.000 3.324 321 G HA2 0.485 4.445 3.960 -0.000 0.000 0.251 321 G HA3 0.485 4.445 3.960 -0.000 0.000 0.251 321 G C -0.414 174.480 174.900 -0.011 0.000 1.072 321 G CA -0.473 44.681 45.100 0.089 0.000 0.787 321 G HN 0.204 nan 8.290 nan 0.000 0.537 322 F N -0.676 119.405 119.950 0.218 0.000 2.613 322 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 322 F C 0.301 176.237 175.800 0.227 0.000 1.075 322 F CA -1.040 57.126 58.000 0.277 0.000 0.945 322 F CB 2.428 41.613 39.000 0.309 0.000 1.310 322 F HN 0.017 nan 8.300 nan 0.000 0.467 323 G N 0.617 109.695 108.800 0.464 0.000 2.707 323 G HA2 0.573 4.532 3.960 -0.000 0.000 0.299 323 G HA3 0.573 4.532 3.960 -0.000 0.000 0.299 323 G C -1.595 173.474 174.900 0.281 0.000 1.442 323 G CA -0.730 44.526 45.100 0.261 0.000 1.009 323 G HN 0.747 nan 8.290 nan 0.000 0.515 324 S N 0.692 116.525 115.700 0.223 0.000 2.632 324 S HA 0.863 5.333 4.470 -0.000 0.000 0.289 324 S C -1.477 173.306 174.600 0.305 0.000 1.115 324 S CA -1.001 57.349 58.200 0.250 0.000 0.889 324 S CB 2.476 65.816 63.200 0.235 0.000 1.116 324 S HN 1.142 nan 8.310 nan 0.000 0.486 325 Y N -0.044 120.354 120.300 0.165 0.000 2.521 325 Y HA 0.623 5.173 4.550 -0.000 0.000 0.332 325 Y C -2.027 174.019 175.900 0.243 0.000 1.121 325 Y CA -0.906 57.305 58.100 0.186 0.000 1.037 325 Y CB 1.554 40.120 38.460 0.177 0.000 1.330 325 Y HN 0.780 nan 8.280 nan 0.000 0.452 326 V N 4.300 124.009 119.914 -0.341 0.000 2.686 326 V HA 0.975 5.095 4.120 -0.000 0.000 0.306 326 V C -0.907 174.936 176.094 -0.418 0.000 1.065 326 V CA -0.280 61.938 62.300 -0.137 0.000 0.894 326 V CB 1.531 33.538 31.823 0.306 0.000 1.004 326 V HN 1.024 nan 8.190 nan 0.000 0.424 327 A N 4.640 127.254 122.820 -0.343 0.000 2.520 327 A HA 1.030 5.350 4.320 -0.000 0.000 0.298 327 A C -1.298 175.999 177.584 -0.478 0.000 1.051 327 A CA -0.503 51.187 52.037 -0.579 0.000 0.690 327 A CB 1.774 20.340 19.000 -0.725 0.000 1.281 327 A HN 1.468 nan 8.150 nan 0.000 0.402 328 F N -0.682 118.812 119.950 -0.760 0.000 2.686 328 F HA 0.841 5.368 4.527 -0.000 0.000 0.311 328 F C -1.431 174.012 175.800 -0.594 0.000 1.128 328 F CA -1.280 56.355 58.000 -0.608 0.000 0.946 328 F CB 1.294 40.002 39.000 -0.487 0.000 1.336 328 F HN 0.311 nan 8.300 nan 0.000 0.457 329 I N 2.343 122.750 120.570 -0.271 0.000 2.466 329 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 329 I C -2.123 173.895 176.117 -0.165 0.000 1.033 329 I CA -1.866 59.242 61.300 -0.320 0.000 1.123 329 I CB 1.932 39.610 38.000 -0.536 0.000 1.237 329 I HN 0.384 nan 8.210 nan 0.000 0.460 330 P HA -0.236 nan 4.420 nan 0.000 0.215 330 P C 1.420 178.652 177.300 -0.112 0.000 1.157 330 P CA 1.288 64.350 63.100 -0.064 0.000 0.874 330 P CB 0.296 31.971 31.700 -0.041 0.000 0.790 331 E N 0.065 120.195 120.200 -0.116 0.000 2.209 331 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 331 E C 1.159 177.678 176.600 -0.136 0.000 0.993 331 E CA 1.102 57.440 56.400 -0.104 0.000 0.819 331 E CB -0.111 29.549 29.700 -0.066 0.000 0.745 331 E HN 0.237 nan 8.360 nan 0.000 0.477 332 K N -0.043 120.237 120.400 -0.199 0.000 2.358 332 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 332 K C -0.216 176.262 176.600 -0.204 0.000 1.025 332 K CA 0.076 56.236 56.287 -0.212 0.000 1.104 332 K CB 0.620 32.946 32.500 -0.290 0.000 0.855 332 K HN 0.088 nan 8.250 nan 0.000 0.531 333 E N 0.959 121.051 120.200 -0.180 0.000 2.360 333 E HA -0.215 4.135 4.350 -0.000 0.000 0.238 333 E C -0.927 175.572 176.600 -0.169 0.000 1.186 333 E CA 0.295 56.592 56.400 -0.172 0.000 0.719 333 E CB -1.119 28.477 29.700 -0.174 0.000 1.236 333 E HN 0.118 nan 8.360 nan 0.000 0.386 334 L N -0.477 120.649 121.223 -0.162 0.000 2.381 334 L HA 0.811 5.151 4.340 -0.000 0.000 0.268 334 L C 0.075 176.883 176.870 -0.104 0.000 0.997 334 L CA 0.301 55.070 54.840 -0.118 0.000 0.818 334 L CB 2.100 44.070 42.059 -0.149 0.000 1.310 334 L HN 0.047 nan 8.230 nan 0.000 0.416 335 G N 3.961 112.731 108.800 -0.050 0.000 2.608 335 G HA2 0.600 4.560 3.960 -0.000 0.000 0.291 335 G HA3 0.600 4.560 3.960 -0.000 0.000 0.291 335 G C -2.242 172.662 174.900 0.006 0.000 1.425 335 G CA -0.432 44.639 45.100 -0.047 0.000 0.787 335 G HN 0.816 nan 8.290 nan 0.000 0.484 336 I N -0.367 120.211 120.570 0.014 0.000 2.827 336 I HA 0.672 4.842 4.170 -0.000 0.000 0.298 336 I C -1.381 174.800 176.117 0.108 0.000 1.235 336 I CA -1.017 60.334 61.300 0.086 0.000 1.021 336 I CB 2.345 40.419 38.000 0.123 0.000 1.259 336 I HN 0.395 nan 8.210 nan 0.000 0.427 337 V N 7.168 127.182 119.914 0.167 0.000 2.531 337 V HA 0.518 4.637 4.120 -0.000 0.000 0.301 337 V C -0.518 175.708 176.094 0.220 0.000 1.034 337 V CA -0.422 61.993 62.300 0.192 0.000 0.865 337 V CB 1.798 33.749 31.823 0.213 0.000 0.995 337 V HN 0.638 nan 8.190 nan 0.000 0.424 338 M N 6.184 125.924 119.600 0.233 0.000 2.134 338 M HA 0.600 5.080 4.480 -0.000 0.000 0.310 338 M C -1.311 175.088 176.300 0.165 0.000 0.966 338 M CA -0.158 55.280 55.300 0.229 0.000 0.922 338 M CB 1.831 34.614 32.600 0.306 0.000 1.537 338 M HN 0.396 nan 8.290 nan 0.000 0.424 339 L N 3.002 124.224 121.223 -0.001 0.000 2.325 339 L HA 0.956 5.296 4.340 -0.000 0.000 0.281 339 L C -0.382 176.335 176.870 -0.255 0.000 1.004 339 L CA -0.688 54.004 54.840 -0.247 0.000 0.823 339 L CB 1.708 43.272 42.059 -0.824 0.000 1.236 339 L HN 0.781 nan 8.230 nan 0.000 0.415 340 A N 2.052 124.975 122.820 0.171 0.000 2.435 340 A HA 0.601 4.921 4.320 -0.000 0.000 0.304 340 A C -0.360 177.590 177.584 0.610 0.000 1.064 340 A CA -0.755 51.516 52.037 0.390 0.000 0.727 340 A CB 1.260 20.487 19.000 0.378 0.000 1.284 340 A HN 0.752 nan 8.150 nan 0.000 0.415 341 N N 1.107 120.107 118.700 0.500 0.000 2.575 341 N HA 0.185 4.925 4.740 -0.000 0.000 0.275 341 N C -0.496 175.012 175.510 -0.005 0.000 1.202 341 N CA -0.136 52.928 53.050 0.023 0.000 0.945 341 N CB 0.221 38.687 38.487 -0.035 0.000 1.247 341 N HN 0.607 nan 8.380 nan 0.000 0.510 342 K N 0.137 120.633 120.400 0.160 0.000 2.543 342 K HA 0.202 4.522 4.320 -0.000 0.000 0.255 342 K C -1.648 175.141 176.600 0.314 0.000 0.934 342 K CA -0.585 55.815 56.287 0.189 0.000 0.810 342 K CB 1.653 34.257 32.500 0.172 0.000 1.315 342 K HN 0.161 nan 8.250 nan 0.000 0.433 343 N N 4.307 123.152 118.700 0.242 0.000 2.555 343 N HA 0.094 4.834 4.740 -0.000 0.000 0.244 343 N C -1.121 174.512 175.510 0.206 0.000 1.114 343 N CA -0.454 52.720 53.050 0.207 0.000 0.963 343 N CB 0.268 38.843 38.487 0.145 0.000 1.276 343 N HN 0.400 nan 8.380 nan 0.000 0.510 344 Y N 1.867 122.211 120.300 0.074 0.000 2.534 344 Y HA 0.675 5.225 4.550 -0.000 0.000 0.329 344 Y C -2.648 173.271 175.900 0.033 0.000 1.154 344 Y CA -3.494 54.633 58.100 0.044 0.000 1.192 344 Y CB -0.729 37.751 38.460 0.034 0.000 1.275 344 Y HN 0.324 nan 8.280 nan 0.000 0.491 345 P HA -0.042 nan 4.420 nan 0.000 0.259 345 P C 0.166 177.350 177.300 -0.193 0.000 1.163 345 P CA 0.526 63.588 63.100 -0.065 0.000 0.760 345 P CB 0.627 32.340 31.700 0.022 0.000 0.762 346 N N 5.020 123.608 118.700 -0.187 0.000 2.094 346 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 346 N C -0.852 174.548 175.510 -0.182 0.000 1.023 346 N CA 1.846 54.766 53.050 -0.216 0.000 0.857 346 N CB -1.771 36.620 38.487 -0.159 0.000 1.013 346 N HN 0.451 nan 8.380 nan 0.000 0.426 347 P HA -0.041 nan 4.420 nan 0.000 0.218 347 P C 1.015 178.289 177.300 -0.044 0.000 1.148 347 P CA 1.331 64.384 63.100 -0.079 0.000 0.822 347 P CB -0.040 31.629 31.700 -0.052 0.000 0.784 348 A N 0.018 122.838 122.820 -0.001 0.000 1.930 348 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 348 A C 2.195 179.848 177.584 0.116 0.000 1.175 348 A CA 1.267 53.359 52.037 0.092 0.000 0.627 348 A CB -0.873 18.256 19.000 0.215 0.000 0.815 348 A HN 0.105 nan 8.150 nan 0.000 0.443 349 R N -0.534 119.976 120.500 0.018 0.000 2.062 349 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 349 R C 1.990 178.219 176.300 -0.119 0.000 1.136 349 R CA 1.537 57.627 56.100 -0.016 0.000 0.948 349 R CB -0.774 29.374 30.300 -0.253 0.000 0.845 349 R HN 0.362 nan 8.270 nan 0.000 0.430 350 V N 1.790 121.528 119.914 -0.292 0.000 2.407 350 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 350 V C 1.970 178.135 176.094 0.118 0.000 1.055 350 V CA 2.161 64.348 62.300 -0.189 0.000 1.049 350 V CB -0.620 31.106 31.823 -0.162 0.000 0.662 350 V HN 0.336 nan 8.190 nan 0.000 0.455 351 D N 0.560 121.006 120.400 0.078 0.000 2.097 351 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 351 D C 2.113 178.550 176.300 0.228 0.000 0.989 351 D CA 1.644 55.733 54.000 0.148 0.000 0.827 351 D CB -0.168 40.682 40.800 0.083 0.000 0.966 351 D HN 0.358 nan 8.370 nan 0.000 0.456 352 A N 0.444 123.371 122.820 0.179 0.000 1.902 352 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 352 A C 2.404 180.132 177.584 0.239 0.000 1.181 352 A CA 2.225 54.364 52.037 0.171 0.000 0.623 352 A CB -1.168 17.910 19.000 0.130 0.000 0.818 352 A HN 0.356 nan 8.150 nan 0.000 0.443 353 A N -1.152 121.877 122.820 0.348 0.000 1.902 353 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 353 A C 2.111 180.021 177.584 0.543 0.000 1.181 353 A CA 1.390 53.715 52.037 0.480 0.000 0.623 353 A CB -0.912 18.558 19.000 0.785 0.000 0.818 353 A HN 0.894 nan 8.150 nan 0.000 0.443 354 W N 0.706 122.236 121.300 0.383 0.000 2.358 354 W HA -0.194 4.466 4.660 -0.000 0.000 0.303 354 W C 1.795 178.447 176.519 0.221 0.000 1.208 354 W CA 1.944 59.468 57.345 0.298 0.000 1.274 354 W CB -0.283 29.219 29.460 0.069 0.000 1.138 354 W HN 0.387 nan 8.180 nan 0.000 0.515 355 Q N 0.806 120.667 119.800 0.101 0.000 2.096 355 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 355 Q C 2.256 178.198 176.000 -0.096 0.000 0.982 355 Q CA 2.126 57.901 55.803 -0.047 0.000 0.850 355 Q CB -0.978 27.801 28.738 0.069 0.000 0.901 355 Q HN 0.499 nan 8.270 nan 0.000 0.422 356 I N 0.186 120.758 120.570 0.003 0.000 2.193 356 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 356 I C 2.274 178.377 176.117 -0.024 0.000 1.084 356 I CA 0.837 62.134 61.300 -0.005 0.000 1.365 356 I CB -0.258 37.765 38.000 0.039 0.000 1.064 356 I HN 0.101 nan 8.210 nan 0.000 0.410 357 L N 0.311 121.550 121.223 0.027 0.000 2.141 357 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 357 L C 2.213 179.024 176.870 -0.098 0.000 1.094 357 L CA 1.179 56.029 54.840 0.016 0.000 0.763 357 L CB -0.751 41.389 42.059 0.135 0.000 0.908 357 L HN 0.331 nan 8.230 nan 0.000 0.437 358 N N 0.568 119.071 118.700 -0.327 0.000 2.244 358 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 358 N C 1.765 177.156 175.510 -0.199 0.000 1.016 358 N CA 1.266 54.049 53.050 -0.446 0.000 0.866 358 N CB 0.076 37.834 38.487 -1.215 0.000 0.980 358 N HN 0.253 nan 8.380 nan 0.000 0.430 359 A N 0.023 122.745 122.820 -0.164 0.000 1.969 359 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 359 A C 2.048 179.615 177.584 -0.028 0.000 1.169 359 A CA 0.854 52.844 52.037 -0.079 0.000 0.635 359 A CB -0.430 18.527 19.000 -0.072 0.000 0.810 359 A HN 0.351 nan 8.150 nan 0.000 0.445 360 L N -0.153 121.064 121.223 -0.009 0.000 2.477 360 L HA 0.020 4.360 4.340 -0.000 0.000 0.220 360 L C 1.792 178.738 176.870 0.126 0.000 1.106 360 L CA -0.040 54.847 54.840 0.079 0.000 0.851 360 L CB -0.362 41.764 42.059 0.111 0.000 0.994 360 L HN 0.621 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.826 119.800 0.043 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 361 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481