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 1i5q_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 PGTQRLYAAS 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 0.000 177.432 177.584 -0.254 0.000 1.274 4 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 4 A CB 0.000 19.012 19.000 0.021 0.000 0.831 5 P HA -0.163 nan 4.420 nan 0.000 0.219 5 P C 1.735 178.903 177.300 -0.219 0.000 1.150 5 P CA 1.043 63.933 63.100 -0.351 0.000 0.814 5 P CB 0.227 31.764 31.700 -0.272 0.000 0.787 6 Q N 0.534 120.252 119.800 -0.136 0.000 2.152 6 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 6 Q C 2.172 178.114 176.000 -0.096 0.000 0.985 6 Q CA 2.020 57.772 55.803 -0.085 0.000 0.863 6 Q CB -0.352 28.352 28.738 -0.055 0.000 0.904 6 Q HN 0.398 nan 8.270 nan 0.000 0.422 7 Q N -0.259 119.453 119.800 -0.147 0.000 2.084 7 Q HA -0.135 4.204 4.340 -0.000 0.000 0.202 7 Q C 2.150 178.048 176.000 -0.169 0.000 0.978 7 Q CA 1.633 57.346 55.803 -0.150 0.000 0.844 7 Q CB -0.148 28.476 28.738 -0.190 0.000 0.898 7 Q HN 0.509 nan 8.270 nan 0.000 0.426 8 I N 0.912 121.337 120.570 -0.242 0.000 2.163 8 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 8 I C 1.910 177.979 176.117 -0.080 0.000 1.081 8 I CA 0.913 62.094 61.300 -0.198 0.000 1.353 8 I CB -0.537 37.299 38.000 -0.273 0.000 1.054 8 I HN 0.268 nan 8.210 nan 0.000 0.407 9 N N 0.966 119.676 118.700 0.016 0.000 2.094 9 N HA -0.251 4.489 4.740 -0.000 0.000 0.191 9 N C 1.513 177.053 175.510 0.049 0.000 1.023 9 N CA 1.891 55.010 53.050 0.116 0.000 0.857 9 N CB -0.624 37.933 38.487 0.116 0.000 1.013 9 N HN 0.424 nan 8.380 nan 0.000 0.426 10 D N 0.301 120.711 120.400 0.017 0.000 2.097 10 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 10 D C 1.839 178.148 176.300 0.016 0.000 0.989 10 D CA 0.566 54.587 54.000 0.037 0.000 0.827 10 D CB -0.162 40.642 40.800 0.007 0.000 0.966 10 D HN 0.141 nan 8.370 nan 0.000 0.456 11 I N -0.337 120.211 120.570 -0.036 0.000 2.439 11 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 11 I C 1.994 178.079 176.117 -0.053 0.000 1.139 11 I CA 0.686 61.959 61.300 -0.044 0.000 1.438 11 I CB -0.069 37.893 38.000 -0.062 0.000 1.085 11 I HN -0.022 nan 8.210 nan 0.000 0.427 12 V N 0.440 120.284 119.914 -0.117 0.000 2.307 12 V HA -0.328 3.792 4.120 -0.000 0.000 0.245 12 V C 2.545 178.665 176.094 0.045 0.000 1.045 12 V CA 2.360 64.552 62.300 -0.181 0.000 1.024 12 V CB -1.003 30.386 31.823 -0.725 0.000 0.651 12 V HN 0.567 nan 8.190 nan 0.000 0.449 13 H N 1.171 120.237 119.070 -0.007 0.000 2.387 13 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 13 H C 2.466 177.843 175.328 0.082 0.000 1.090 13 H CA 1.723 57.845 56.048 0.123 0.000 1.332 13 H CB 0.238 30.061 29.762 0.103 0.000 1.386 13 H HN 0.448 nan 8.280 nan 0.000 0.516 14 R N -0.350 120.128 120.500 -0.038 0.000 2.275 14 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 14 R C 1.169 177.419 176.300 -0.083 0.000 0.989 14 R CA 1.164 57.187 56.100 -0.128 0.000 1.016 14 R CB 0.035 30.288 30.300 -0.078 0.000 0.918 14 R HN 0.111 nan 8.270 nan 0.000 0.473 15 T N 0.959 115.485 114.554 -0.046 0.000 3.044 15 T HA 0.196 4.546 4.350 -0.000 0.000 0.237 15 T C 1.825 176.480 174.700 -0.076 0.000 1.001 15 T CA 0.175 62.251 62.100 -0.040 0.000 1.160 15 T CB 0.179 69.039 68.868 -0.012 0.000 0.889 15 T HN -0.007 nan 8.240 nan 0.000 0.442 16 I N 2.059 122.571 120.570 -0.096 0.000 2.333 16 I HA -0.043 4.127 4.170 -0.000 0.000 0.246 16 I C 2.558 178.432 176.117 -0.406 0.000 1.106 16 I CA 1.301 62.437 61.300 -0.273 0.000 1.411 16 I CB -1.749 36.000 38.000 -0.419 0.000 1.082 16 I HN 0.240 nan 8.210 nan 0.000 0.420 17 T N 2.139 116.582 114.554 -0.185 0.000 2.720 17 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 17 T C -0.326 174.276 174.700 -0.164 0.000 1.037 17 T CA 1.590 63.616 62.100 -0.123 0.000 1.144 17 T CB -1.223 67.810 68.868 0.276 0.000 0.864 17 T HN 0.230 nan 8.240 nan 0.000 0.444 18 P HA 0.056 nan 4.420 nan 0.000 0.219 18 P C 1.615 178.833 177.300 -0.135 0.000 1.150 18 P CA 0.379 63.409 63.100 -0.117 0.000 0.814 18 P CB -0.124 31.518 31.700 -0.096 0.000 0.787 19 L N -0.594 120.528 121.223 -0.169 0.000 2.046 19 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 19 L C 2.103 178.813 176.870 -0.266 0.000 1.077 19 L CA 1.805 56.533 54.840 -0.186 0.000 0.747 19 L CB -1.066 40.883 42.059 -0.182 0.000 0.896 19 L HN -0.135 nan 8.230 nan 0.000 0.432 20 I N -0.543 119.828 120.570 -0.331 0.000 2.286 20 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 20 I C 2.399 178.393 176.117 -0.204 0.000 1.115 20 I CA 1.003 62.105 61.300 -0.330 0.000 1.392 20 I CB -0.396 37.359 38.000 -0.408 0.000 1.065 20 I HN 0.332 nan 8.210 nan 0.000 0.418 21 E N 0.560 120.668 120.200 -0.153 0.000 2.047 21 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 21 E C 2.166 178.715 176.600 -0.085 0.000 0.987 21 E CA 1.190 57.534 56.400 -0.092 0.000 0.799 21 E CB -0.358 29.305 29.700 -0.063 0.000 0.752 21 E HN 0.561 nan 8.360 nan 0.000 0.449 22 Q N 0.250 119.995 119.800 -0.091 0.000 2.096 22 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 22 Q C 1.900 177.858 176.000 -0.070 0.000 0.982 22 Q CA 1.215 56.978 55.803 -0.068 0.000 0.850 22 Q CB 0.084 28.786 28.738 -0.060 0.000 0.901 22 Q HN 0.178 nan 8.270 nan 0.000 0.422 23 Q N -0.058 119.670 119.800 -0.120 0.000 2.360 23 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 23 Q C -0.311 175.628 176.000 -0.102 0.000 0.915 23 Q CA 0.218 55.949 55.803 -0.119 0.000 0.943 23 Q CB 0.803 29.384 28.738 -0.263 0.000 1.064 23 Q HN 0.201 nan 8.270 nan 0.000 0.511 24 K N 0.452 120.793 120.400 -0.098 0.000 3.096 24 K HA -0.183 4.137 4.320 -0.000 0.000 0.266 24 K C -0.317 176.238 176.600 -0.075 0.000 1.043 24 K CA 0.468 56.713 56.287 -0.070 0.000 0.758 24 K CB -2.536 29.941 32.500 -0.038 0.000 1.260 24 K HN 0.345 nan 8.250 nan 0.000 0.481 25 I N 1.328 121.824 120.570 -0.123 0.000 2.452 25 I HA 0.005 4.175 4.170 -0.000 0.000 0.287 25 I C -0.720 175.381 176.117 -0.027 0.000 1.079 25 I CA -1.931 59.315 61.300 -0.090 0.000 1.387 25 I CB 0.700 38.585 38.000 -0.191 0.000 1.404 25 I HN -0.047 nan 8.210 nan 0.000 0.522 26 P HA -0.033 nan 4.420 nan 0.000 0.215 26 P C 0.386 177.757 177.300 0.120 0.000 1.157 26 P CA 0.571 63.686 63.100 0.025 0.000 0.863 26 P CB 0.265 31.921 31.700 -0.072 0.000 0.787 27 G N -1.484 107.445 108.800 0.215 0.000 2.659 27 G HA2 0.694 4.654 3.960 -0.000 0.000 0.296 27 G HA3 0.694 4.654 3.960 -0.000 0.000 0.296 27 G C -1.876 173.278 174.900 0.423 0.000 1.369 27 G CA -0.396 44.896 45.100 0.320 0.000 0.937 27 G HN 0.069 nan 8.290 nan 0.000 0.485 28 M N 1.068 120.958 119.600 0.482 0.000 2.414 28 M HA 0.703 5.183 4.480 -0.000 0.000 0.287 28 M C -1.575 175.055 176.300 0.551 0.000 1.181 28 M CA -0.465 55.090 55.300 0.425 0.000 0.933 28 M CB 2.162 34.865 32.600 0.173 0.000 1.732 28 M HN 1.115 nan 8.290 nan 0.000 0.486 29 A N 3.331 126.347 122.820 0.326 0.000 2.386 29 A HA 0.905 5.225 4.320 -0.000 0.000 0.311 29 A C -1.751 176.044 177.584 0.352 0.000 1.068 29 A CA -0.646 51.618 52.037 0.379 0.000 0.743 29 A CB 1.889 21.053 19.000 0.273 0.000 1.258 29 A HN 0.669 nan 8.150 nan 0.000 0.429 30 V N 0.797 121.031 119.914 0.534 0.000 2.709 30 V HA 0.792 4.912 4.120 -0.000 0.000 0.308 30 V C 0.026 176.438 176.094 0.531 0.000 1.062 30 V CA -0.190 62.408 62.300 0.496 0.000 0.901 30 V CB 1.893 34.063 31.823 0.579 0.000 1.003 30 V HN 1.455 nan 8.190 nan 0.000 0.425 31 A N 3.908 126.962 122.820 0.389 0.000 2.355 31 A HA 0.899 5.219 4.320 -0.000 0.000 0.317 31 A C -1.160 176.563 177.584 0.232 0.000 1.094 31 A CA -0.566 51.638 52.037 0.278 0.000 0.764 31 A CB 1.828 20.949 19.000 0.203 0.000 1.230 31 A HN 0.665 nan 8.150 nan 0.000 0.448 32 V N 3.239 123.301 119.914 0.247 0.000 2.448 32 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 32 V C -0.819 175.385 176.094 0.183 0.000 1.025 32 V CA -0.290 62.151 62.300 0.234 0.000 0.859 32 V CB 1.404 33.410 31.823 0.306 0.000 0.988 32 V HN 0.728 nan 8.190 nan 0.000 0.431 33 I N 5.783 126.421 120.570 0.113 0.000 2.312 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 33 I C -0.733 175.485 176.117 0.168 0.000 1.008 33 I CA -0.201 61.136 61.300 0.063 0.000 1.226 33 I CB 0.882 38.853 38.000 -0.047 0.000 1.371 33 I HN 0.597 nan 8.210 nan 0.000 0.468 34 Y N 5.370 125.737 120.300 0.112 0.000 2.373 34 Y HA 0.339 4.889 4.550 0.000 0.000 0.336 34 Y C 0.105 176.059 175.900 0.090 0.000 0.979 34 Y CA -0.885 57.281 58.100 0.110 0.000 1.080 34 Y CB 1.232 39.795 38.460 0.172 0.000 1.190 34 Y HN 0.680 nan 8.280 nan 0.000 0.446 35 Q N 4.588 124.109 119.800 -0.465 0.000 2.453 35 Q HA -0.268 4.072 4.340 -0.000 0.000 0.294 35 Q C 1.098 177.008 176.000 -0.150 0.000 1.295 35 Q CA 1.179 56.779 55.803 -0.339 0.000 0.853 35 Q CB -1.695 26.824 28.738 -0.366 0.000 1.193 35 Q HN 1.421 nan 8.270 nan 0.000 0.461 36 G N -0.005 108.717 108.800 -0.129 0.000 2.184 36 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 36 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 36 G C 0.067 174.906 174.900 -0.101 0.000 0.975 36 G CA 0.886 45.918 45.100 -0.112 0.000 0.642 36 G HN 0.419 nan 8.290 nan 0.000 0.536 37 K N 1.436 121.791 120.400 -0.075 0.000 2.164 37 K HA 0.608 4.928 4.320 -0.000 0.000 0.258 37 K C -2.595 173.794 176.600 -0.351 0.000 0.951 37 K CA -2.288 53.886 56.287 -0.189 0.000 0.844 37 K CB 2.569 34.964 32.500 -0.174 0.000 1.099 37 K HN 0.058 nan 8.250 nan 0.000 0.435 38 P HA 0.186 nan 4.420 nan 0.000 0.288 38 P C -1.557 175.074 177.300 -1.116 0.000 1.267 38 P CA -0.284 62.430 63.100 -0.644 0.000 0.815 38 P CB 0.607 31.993 31.700 -0.524 0.000 0.989 39 Y N 1.189 121.198 120.300 -0.485 0.000 2.442 39 Y HA 0.447 4.997 4.550 -0.000 0.000 0.344 39 Y C -0.083 175.468 175.900 -0.582 0.000 0.976 39 Y CA -0.608 57.226 58.100 -0.443 0.000 1.040 39 Y CB 1.998 40.377 38.460 -0.135 0.000 1.228 39 Y HN 0.297 nan 8.280 nan 0.000 0.451 40 Y N 2.234 122.363 120.300 -0.284 0.000 2.446 40 Y HA 0.712 5.262 4.550 -0.000 0.000 0.338 40 Y C -1.002 174.454 175.900 -0.741 0.000 1.055 40 Y CA -1.280 56.658 58.100 -0.270 0.000 1.101 40 Y CB 1.644 40.031 38.460 -0.122 0.000 1.221 40 Y HN 0.392 nan 8.280 nan 0.000 0.460 41 F N 0.130 120.174 119.950 0.157 0.000 2.591 41 F HA 0.653 5.180 4.527 -0.000 0.000 0.309 41 F C -0.343 175.342 175.800 -0.192 0.000 1.098 41 F CA -0.902 56.998 58.000 -0.167 0.000 0.937 41 F CB 2.542 41.396 39.000 -0.243 0.000 1.250 41 F HN 0.409 nan 8.300 nan 0.000 0.447 42 T N -1.680 112.692 114.554 -0.303 0.000 2.903 42 T HA 0.670 5.020 4.350 -0.000 0.000 0.299 42 T C -1.622 172.983 174.700 -0.159 0.000 1.093 42 T CA -0.800 61.297 62.100 -0.005 0.000 1.002 42 T CB 1.985 70.903 68.868 0.083 0.000 1.127 42 T HN 0.627 nan 8.240 nan 0.000 0.488 43 W N 0.103 121.486 121.300 0.138 0.000 3.217 43 W HA 0.492 5.152 4.660 -0.000 0.000 0.323 43 W C 0.809 177.342 176.519 0.025 0.000 1.216 43 W CA -0.241 57.145 57.345 0.069 0.000 1.194 43 W CB 1.713 31.216 29.460 0.072 0.000 1.397 43 W HN 1.391 nan 8.180 nan 0.000 0.537 44 G N 1.388 110.252 108.800 0.105 0.000 2.575 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 44 G C -1.432 173.367 174.900 -0.169 0.000 1.264 44 G CA -0.059 44.949 45.100 -0.153 0.000 0.935 44 G HN 0.556 nan 8.290 nan 0.000 0.568 45 Y N -0.108 120.284 120.300 0.152 0.000 2.429 45 Y HA 0.580 5.130 4.550 -0.000 0.000 0.342 45 Y C 1.319 177.327 175.900 0.180 0.000 1.004 45 Y CA -0.374 57.810 58.100 0.139 0.000 1.075 45 Y CB 2.013 40.525 38.460 0.087 0.000 1.214 45 Y HN 0.775 nan 8.280 nan 0.000 0.455 46 A N 0.720 123.751 122.820 0.352 0.000 1.975 46 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 46 A C 0.203 177.987 177.584 0.332 0.000 1.170 46 A CA 1.240 53.422 52.037 0.241 0.000 0.656 46 A CB 0.082 19.157 19.000 0.125 0.000 0.821 46 A HN 0.675 nan 8.150 nan 0.000 0.449 47 D N -0.968 119.628 120.400 0.327 0.000 2.479 47 D HA 0.374 5.014 4.640 -0.000 0.000 0.246 47 D C 0.625 176.989 176.300 0.108 0.000 1.336 47 D CA -0.439 53.767 54.000 0.345 0.000 0.967 47 D CB 0.674 41.659 40.800 0.308 0.000 1.275 47 D HN 0.132 nan 8.370 nan 0.000 0.577 48 I N 2.201 122.822 120.570 0.085 0.000 2.179 48 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 48 I C 2.498 178.455 176.117 -0.266 0.000 1.088 48 I CA 1.302 62.484 61.300 -0.196 0.000 1.357 48 I CB -0.155 37.684 38.000 -0.269 0.000 1.051 48 I HN 0.433 nan 8.210 nan 0.000 0.409 49 A N 1.067 123.809 122.820 -0.129 0.000 1.865 49 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 49 A C 2.140 179.639 177.584 -0.141 0.000 1.191 49 A CA 1.663 53.623 52.037 -0.129 0.000 0.623 49 A CB -0.387 18.550 19.000 -0.105 0.000 0.826 49 A HN 0.287 nan 8.150 nan 0.000 0.444 50 K N -0.336 120.001 120.400 -0.104 0.000 2.487 50 K HA 0.063 4.383 4.320 -0.000 0.000 0.192 50 K C -0.170 176.336 176.600 -0.156 0.000 1.027 50 K CA 0.373 56.610 56.287 -0.084 0.000 1.054 50 K CB -0.037 32.461 32.500 -0.004 0.000 0.824 50 K HN 0.568 nan 8.250 nan 0.000 0.510 51 K N 1.723 121.902 120.400 -0.368 0.000 3.071 51 K HA -0.228 4.092 4.320 -0.000 0.000 0.262 51 K C -0.026 176.454 176.600 -0.199 0.000 0.977 51 K CA 0.457 56.313 56.287 -0.717 0.000 0.721 51 K CB -1.335 30.870 32.500 -0.491 0.000 1.293 51 K HN 0.400 nan 8.250 nan 0.000 0.475 52 Q N 1.274 121.057 119.800 -0.029 0.000 2.294 52 Q HA 0.190 4.530 4.340 -0.000 0.000 0.257 52 Q C -2.189 173.993 176.000 0.304 0.000 0.955 52 Q CA -1.988 53.894 55.803 0.131 0.000 0.936 52 Q CB 1.032 29.834 28.738 0.107 0.000 1.188 52 Q HN 0.011 nan 8.270 nan 0.000 0.420 53 P HA 0.019 nan 4.420 nan 0.000 0.276 53 P C -0.523 176.901 177.300 0.207 0.000 1.244 53 P CA -0.302 62.971 63.100 0.290 0.000 0.801 53 P CB 1.007 32.816 31.700 0.183 0.000 1.006 54 V N 2.281 122.324 119.914 0.215 0.000 2.637 54 V HA 0.232 4.352 4.120 -0.000 0.000 0.296 54 V C 1.243 177.441 176.094 0.174 0.000 1.046 54 V CA 0.775 63.216 62.300 0.235 0.000 1.066 54 V CB 0.285 32.330 31.823 0.370 0.000 0.968 54 V HN 0.901 nan 8.190 nan 0.000 0.483 55 T N 1.289 115.930 114.554 0.144 0.000 2.831 55 T HA 0.348 4.697 4.350 -0.000 0.000 0.287 55 T C 0.451 175.187 174.700 0.060 0.000 1.070 55 T CA -0.737 61.406 62.100 0.072 0.000 1.010 55 T CB 1.649 70.532 68.868 0.025 0.000 1.264 55 T HN 0.424 nan 8.240 nan 0.000 0.532 56 Q N -0.351 119.424 119.800 -0.043 0.000 2.437 56 Q HA -0.021 4.319 4.340 -0.000 0.000 0.210 56 Q C 1.530 177.471 176.000 -0.097 0.000 0.972 56 Q CA 0.897 56.623 55.803 -0.129 0.000 0.903 56 Q CB 0.025 28.579 28.738 -0.307 0.000 0.967 56 Q HN 0.465 nan 8.270 nan 0.000 0.486 57 Q N -0.451 119.301 119.800 -0.080 0.000 2.282 57 Q HA 0.093 4.433 4.340 -0.000 0.000 0.206 57 Q C 0.030 176.001 176.000 -0.049 0.000 0.878 57 Q CA 0.286 56.007 55.803 -0.137 0.000 0.944 57 Q CB 0.916 29.539 28.738 -0.192 0.000 1.100 57 Q HN 0.186 nan 8.270 nan 0.000 0.509 58 T N 1.976 116.554 114.554 0.040 0.000 2.853 58 T HA 0.227 4.577 4.350 -0.000 0.000 0.298 58 T C 0.363 175.103 174.700 0.066 0.000 0.978 58 T CA 0.074 62.192 62.100 0.030 0.000 1.152 58 T CB 0.418 69.302 68.868 0.027 0.000 0.914 58 T HN 0.059 nan 8.240 nan 0.000 0.539 59 L N 4.066 125.284 121.223 -0.010 0.000 2.292 59 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 59 L C -0.422 176.421 176.870 -0.044 0.000 1.065 59 L CA -0.488 54.359 54.840 0.011 0.000 0.806 59 L CB 0.429 42.418 42.059 -0.117 0.000 1.175 59 L HN 0.528 nan 8.230 nan 0.000 0.431 60 F N 0.550 120.505 119.950 0.008 0.000 2.538 60 F HA 0.390 4.917 4.527 -0.000 0.000 0.325 60 F C 0.413 175.960 175.800 -0.422 0.000 1.066 60 F CA -0.863 57.088 58.000 -0.081 0.000 0.946 60 F CB 1.433 40.540 39.000 0.177 0.000 1.199 60 F HN 0.391 nan 8.300 nan 0.000 0.473 61 E N 2.547 122.219 120.200 -0.880 0.000 2.259 61 E HA 0.191 4.541 4.350 -0.000 0.000 0.281 61 E C 0.429 176.954 176.600 -0.125 0.000 1.037 61 E CA -0.096 55.992 56.400 -0.520 0.000 0.854 61 E CB 0.975 30.286 29.700 -0.648 0.000 1.051 61 E HN 0.612 nan 8.360 nan 0.000 0.409 62 L N 2.773 123.995 121.223 -0.002 0.000 2.418 62 L HA 0.068 4.408 4.340 -0.000 0.000 0.218 62 L C 1.427 178.393 176.870 0.161 0.000 1.125 62 L CA 0.476 55.385 54.840 0.115 0.000 0.835 62 L CB -0.836 41.298 42.059 0.127 0.000 0.953 62 L HN 0.906 nan 8.230 nan 0.000 0.454 63 G N 0.458 109.353 108.800 0.158 0.000 2.596 63 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.295 63 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.295 63 G C 0.845 175.885 174.900 0.234 0.000 1.240 63 G CA 0.374 45.598 45.100 0.206 0.000 0.985 63 G HN 0.198 nan 8.290 nan 0.000 0.555 64 S N -0.220 115.618 115.700 0.230 0.000 2.500 64 S HA 0.021 4.491 4.470 -0.000 0.000 0.239 64 S C 2.341 177.075 174.600 0.224 0.000 0.989 64 S CA 1.310 59.664 58.200 0.257 0.000 0.951 64 S CB -0.117 63.271 63.200 0.313 0.000 0.759 64 S HN 0.736 nan 8.310 nan 0.000 0.523 65 V N 1.586 121.622 119.914 0.203 0.000 2.913 65 V HA -0.115 4.005 4.120 -0.000 0.000 0.260 65 V C 2.098 178.317 176.094 0.208 0.000 1.098 65 V CA 1.316 63.722 62.300 0.176 0.000 1.121 65 V CB -0.762 31.187 31.823 0.209 0.000 0.714 65 V HN 0.452 nan 8.190 nan 0.000 0.487 66 S N 0.003 115.846 115.700 0.239 0.000 2.400 66 S HA -0.249 4.221 4.470 -0.000 0.000 0.232 66 S C 1.905 176.666 174.600 0.268 0.000 1.025 66 S CA 1.376 59.743 58.200 0.279 0.000 0.993 66 S CB -0.278 63.023 63.200 0.169 0.000 0.808 66 S HN 0.638 nan 8.310 nan 0.000 0.478 67 K N 0.956 121.467 120.400 0.186 0.000 2.280 67 K HA -0.095 4.224 4.320 -0.000 0.000 0.202 67 K C 2.391 179.018 176.600 0.045 0.000 1.047 67 K CA 1.544 57.919 56.287 0.148 0.000 0.942 67 K CB -0.439 32.169 32.500 0.181 0.000 0.739 67 K HN 0.626 nan 8.250 nan 0.000 0.457 68 T N -1.380 113.105 114.554 -0.116 0.000 2.904 68 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 68 T C 1.717 176.389 174.700 -0.047 0.000 1.059 68 T CA 0.767 62.591 62.100 -0.460 0.000 1.137 68 T CB -0.346 67.823 68.868 -1.165 0.000 0.879 68 T HN 0.030 nan 8.240 nan 0.000 0.467 69 F N 2.124 122.101 119.950 0.046 0.000 2.163 69 F HA 0.060 4.586 4.527 -0.000 0.000 0.297 69 F C 2.994 178.844 175.800 0.083 0.000 1.094 69 F CA 1.234 59.228 58.000 -0.010 0.000 1.290 69 F CB -1.070 37.807 39.000 -0.204 0.000 1.017 69 F HN 0.125 nan 8.300 nan 0.000 0.483 70 T N -0.524 114.225 114.554 0.325 0.000 2.788 70 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 70 T C 2.365 177.249 174.700 0.308 0.000 1.044 70 T CA 1.371 63.680 62.100 0.348 0.000 1.139 70 T CB -0.978 68.092 68.868 0.336 0.000 0.867 70 T HN 0.441 nan 8.240 nan 0.000 0.454 71 G N 1.041 109.987 108.800 0.243 0.000 2.421 71 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 71 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 71 G C 1.687 176.743 174.900 0.259 0.000 1.171 71 G CA 0.861 46.100 45.100 0.232 0.000 0.775 71 G HN 0.439 nan 8.290 nan 0.000 0.543 72 V N 0.634 120.711 119.914 0.273 0.000 2.427 72 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 72 V C 2.662 178.874 176.094 0.197 0.000 1.051 72 V CA 1.462 63.934 62.300 0.287 0.000 1.048 72 V CB -0.348 31.750 31.823 0.458 0.000 0.666 72 V HN 0.331 nan 8.190 nan 0.000 0.456 73 L N 1.427 122.738 121.223 0.146 0.000 2.046 73 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 73 L C 2.327 179.204 176.870 0.012 0.000 1.077 73 L CA 2.378 57.221 54.840 0.005 0.000 0.747 73 L CB -1.254 40.719 42.059 -0.142 0.000 0.896 73 L HN 0.264 nan 8.230 nan 0.000 0.432 74 G N -1.162 107.703 108.800 0.107 0.000 2.418 74 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G C 1.521 176.523 174.900 0.170 0.000 1.158 74 G CA 0.548 45.726 45.100 0.130 0.000 0.771 74 G HN 0.583 nan 8.290 nan 0.000 0.545 75 G N 0.651 109.565 108.800 0.190 0.000 2.418 75 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 75 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 75 G C 1.446 176.403 174.900 0.095 0.000 1.158 75 G CA 1.365 46.557 45.100 0.154 0.000 0.771 75 G HN 0.500 nan 8.290 nan 0.000 0.545 76 D N 0.563 121.006 120.400 0.072 0.000 2.144 76 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 76 D C 2.642 178.945 176.300 0.004 0.000 0.984 76 D CA 1.449 55.468 54.000 0.032 0.000 0.834 76 D CB -0.258 40.550 40.800 0.013 0.000 0.955 76 D HN 0.248 nan 8.370 nan 0.000 0.465 77 A N -0.060 122.749 122.820 -0.017 0.000 1.930 77 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 77 A C 2.310 179.888 177.584 -0.010 0.000 1.175 77 A CA 1.038 53.048 52.037 -0.045 0.000 0.627 77 A CB -0.692 18.244 19.000 -0.107 0.000 0.815 77 A HN 0.388 nan 8.150 nan 0.000 0.443 78 I N -0.237 120.349 120.570 0.026 0.000 2.202 78 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 78 I C 2.947 179.088 176.117 0.040 0.000 1.091 78 I CA 1.039 62.368 61.300 0.048 0.000 1.368 78 I CB -0.399 37.651 38.000 0.083 0.000 1.058 78 I HN 0.322 nan 8.210 nan 0.000 0.410 79 A N 0.852 123.696 122.820 0.039 0.000 1.978 79 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 79 A C 2.328 179.923 177.584 0.017 0.000 1.170 79 A CA 1.532 53.587 52.037 0.030 0.000 0.636 79 A CB -0.599 18.419 19.000 0.030 0.000 0.810 79 A HN 0.360 nan 8.150 nan 0.000 0.448 80 R N -1.644 118.861 120.500 0.009 0.000 2.307 80 R HA 0.153 4.492 4.340 -0.000 0.000 0.199 80 R C 1.342 177.646 176.300 0.007 0.000 1.000 80 R CA 0.553 56.653 56.100 0.001 0.000 1.023 80 R CB -0.152 30.140 30.300 -0.013 0.000 0.908 80 R HN 0.716 nan 8.270 nan 0.000 0.473 81 G N 1.048 109.858 108.800 0.016 0.000 2.143 81 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 81 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 81 G C 0.520 175.438 174.900 0.029 0.000 0.981 81 G CA 0.487 45.602 45.100 0.025 0.000 0.665 81 G HN 0.450 nan 8.290 nan 0.000 0.528 82 E N -0.508 119.702 120.200 0.016 0.000 2.230 82 E HA 0.253 4.602 4.350 -0.000 0.000 0.192 82 E C 1.500 178.125 176.600 0.042 0.000 0.987 82 E CA 1.147 57.558 56.400 0.017 0.000 0.841 82 E CB 0.205 29.891 29.700 -0.023 0.000 0.783 82 E HN 0.907 nan 8.360 nan 0.000 0.481 83 I N -2.712 117.871 120.570 0.022 0.000 3.191 83 I HA 0.488 4.658 4.170 -0.000 0.000 0.313 83 I C -1.432 174.734 176.117 0.081 0.000 1.193 83 I CA -1.308 60.019 61.300 0.044 0.000 0.968 83 I CB 2.299 40.204 38.000 -0.159 0.000 1.262 83 I HN -0.349 nan 8.210 nan 0.000 0.456 84 K N 2.532 123.009 120.400 0.129 0.000 2.422 84 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 84 K C -0.025 176.649 176.600 0.124 0.000 0.933 84 K CA -0.799 55.556 56.287 0.113 0.000 0.798 84 K CB 3.013 35.580 32.500 0.110 0.000 1.238 84 K HN 0.613 nan 8.250 nan 0.000 0.428 85 L N 1.053 122.330 121.223 0.090 0.000 2.362 85 L HA -0.153 4.187 4.340 -0.000 0.000 0.219 85 L C 1.969 178.865 176.870 0.043 0.000 1.134 85 L CA 1.248 56.120 54.840 0.054 0.000 0.807 85 L CB -0.303 41.732 42.059 -0.040 0.000 0.927 85 L HN 0.714 nan 8.230 nan 0.000 0.447 86 S N -2.661 113.076 115.700 0.061 0.000 2.561 86 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 86 S C 0.591 175.249 174.600 0.097 0.000 0.977 86 S CA -0.272 57.962 58.200 0.057 0.000 0.926 86 S CB -0.368 62.864 63.200 0.055 0.000 0.769 86 S HN 0.226 nan 8.310 nan 0.000 0.533 87 D N 4.401 124.890 120.400 0.148 0.000 2.414 87 D HA 0.247 4.887 4.640 -0.000 0.000 0.242 87 D C -2.251 174.172 176.300 0.206 0.000 1.129 87 D CA -1.387 52.729 54.000 0.192 0.000 0.885 87 D CB 0.692 41.706 40.800 0.356 0.000 1.198 87 D HN 0.230 nan 8.370 nan 0.000 0.437 88 P HA 0.034 nan 4.420 nan 0.000 0.272 88 P C 0.549 177.985 177.300 0.227 0.000 1.223 88 P CA -0.266 62.944 63.100 0.183 0.000 0.784 88 P CB 0.821 32.597 31.700 0.128 0.000 0.923 89 T N 1.071 115.794 114.554 0.281 0.000 2.746 89 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 89 T C 1.629 176.443 174.700 0.189 0.000 1.039 89 T CA 2.131 64.402 62.100 0.285 0.000 1.142 89 T CB -0.940 68.128 68.868 0.332 0.000 0.866 89 T HN 0.516 nan 8.240 nan 0.000 0.444 90 T N 1.607 116.233 114.554 0.119 0.000 2.977 90 T HA -0.081 4.268 4.350 -0.000 0.000 0.271 90 T C 1.801 176.497 174.700 -0.007 0.000 1.105 90 T CA 1.001 63.120 62.100 0.032 0.000 1.116 90 T CB -0.160 68.720 68.868 0.021 0.000 0.878 90 T HN 0.468 nan 8.240 nan 0.000 0.509 91 K N 0.279 120.628 120.400 -0.085 0.000 2.283 91 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 91 K C 0.861 177.172 176.600 -0.481 0.000 1.048 91 K CA 1.185 57.281 56.287 -0.318 0.000 0.948 91 K CB -0.058 32.148 32.500 -0.490 0.000 0.742 91 K HN 0.411 nan 8.250 nan 0.000 0.458 92 Y N -2.058 118.286 120.300 0.072 0.000 2.467 92 Y HA 0.169 4.719 4.550 -0.000 0.000 0.250 92 Y C -0.198 175.769 175.900 0.112 0.000 1.155 92 Y CA -0.610 57.522 58.100 0.053 0.000 1.249 92 Y CB 0.666 39.132 38.460 0.010 0.000 1.146 92 Y HN 0.135 nan 8.280 nan 0.000 0.524 93 W N 3.894 125.188 121.300 -0.009 0.000 2.258 93 W HA 0.346 5.006 4.660 -0.000 0.000 0.287 93 W C -2.280 174.190 176.519 -0.082 0.000 1.024 93 W CA -3.505 53.804 57.345 -0.059 0.000 1.377 93 W CB 0.849 30.233 29.460 -0.127 0.000 1.351 93 W HN -0.154 nan 8.180 nan 0.000 0.334 94 P HA -0.297 nan 4.420 nan 0.000 0.219 94 P C 0.733 178.001 177.300 -0.054 0.000 1.158 94 P CA 2.357 65.488 63.100 0.051 0.000 0.895 94 P CB 0.287 32.029 31.700 0.071 0.000 0.792 95 E N -0.992 119.154 120.200 -0.091 0.000 2.516 95 E HA -0.042 4.308 4.350 -0.000 0.000 0.199 95 E C 0.663 176.960 176.600 -0.504 0.000 1.069 95 E CA -0.070 56.187 56.400 -0.239 0.000 0.876 95 E CB -0.316 29.304 29.700 -0.134 0.000 0.843 95 E HN 0.173 nan 8.360 nan 0.000 0.530 96 L N 1.956 122.760 121.223 -0.699 0.000 2.389 96 L HA 0.081 4.421 4.340 -0.000 0.000 0.265 96 L C 0.935 177.573 176.870 -0.387 0.000 1.167 96 L CA 0.310 54.665 54.840 -0.809 0.000 1.045 96 L CB 0.175 41.558 42.059 -1.127 0.000 1.351 96 L HN -0.104 nan 8.230 nan 0.000 0.419 97 T N -0.413 114.005 114.554 -0.228 0.000 3.022 97 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 97 T C 0.935 175.654 174.700 0.031 0.000 1.060 97 T CA 0.249 62.307 62.100 -0.070 0.000 1.013 97 T CB 0.001 68.832 68.868 -0.061 0.000 0.982 97 T HN 0.536 nan 8.240 nan 0.000 0.508 98 A N 2.897 125.762 122.820 0.075 0.000 2.587 98 A HA 0.204 4.524 4.320 -0.000 0.000 0.235 98 A C 1.687 179.399 177.584 0.212 0.000 1.044 98 A CA 0.233 52.371 52.037 0.168 0.000 0.754 98 A CB 0.128 19.288 19.000 0.267 0.000 0.968 98 A HN 0.697 nan 8.150 nan 0.000 0.509 99 K N 1.924 122.388 120.400 0.107 0.000 2.211 99 K HA -0.251 4.069 4.320 -0.000 0.000 0.204 99 K C 1.480 178.109 176.600 0.049 0.000 1.047 99 K CA 1.621 57.950 56.287 0.071 0.000 0.935 99 K CB -0.112 32.402 32.500 0.022 0.000 0.728 99 K HN 0.826 nan 8.250 nan 0.000 0.452 100 Q N 0.374 120.175 119.800 0.002 0.000 2.437 100 Q HA -0.157 4.183 4.340 -0.000 0.000 0.210 100 Q C 0.871 176.754 176.000 -0.195 0.000 0.972 100 Q CA 1.159 56.870 55.803 -0.154 0.000 0.903 100 Q CB -0.414 28.132 28.738 -0.320 0.000 0.967 100 Q HN 0.604 nan 8.270 nan 0.000 0.486 101 W N 1.610 122.958 121.300 0.080 0.000 3.003 101 W HA 0.178 4.838 4.660 -0.000 0.000 0.257 101 W C 0.418 176.992 176.519 0.091 0.000 1.308 101 W CA -0.407 57.006 57.345 0.113 0.000 1.529 101 W CB -0.040 29.466 29.460 0.076 0.000 1.115 101 W HN 0.096 nan 8.180 nan 0.000 0.659 102 N N 0.383 119.203 118.700 0.199 0.000 2.440 102 N HA 0.295 5.035 4.740 -0.000 0.000 0.265 102 N C 1.024 176.609 175.510 0.125 0.000 1.239 102 N CA 1.924 55.062 53.050 0.147 0.000 0.909 102 N CB 0.543 39.085 38.487 0.093 0.000 1.066 102 N HN 0.211 nan 8.380 nan 0.000 0.474 103 G N 2.899 111.794 108.800 0.159 0.000 2.213 103 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.236 103 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.236 103 G C 0.131 175.180 174.900 0.248 0.000 0.991 103 G CA -0.148 45.053 45.100 0.168 0.000 0.629 103 G HN 0.546 nan 8.290 nan 0.000 0.517 104 I N 3.001 123.732 120.570 0.268 0.000 2.325 104 I HA 0.429 4.598 4.170 -0.000 0.000 0.291 104 I C 1.098 177.492 176.117 0.462 0.000 1.019 104 I CA 0.152 61.679 61.300 0.378 0.000 1.302 104 I CB 1.277 39.427 38.000 0.250 0.000 1.401 104 I HN 0.312 nan 8.210 nan 0.000 0.485 105 T N 3.045 117.926 114.554 0.544 0.000 2.948 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 105 T C 1.189 176.005 174.700 0.192 0.000 1.019 105 T CA -0.891 61.352 62.100 0.239 0.000 1.013 105 T CB 1.551 70.430 68.868 0.018 0.000 1.117 105 T HN 0.421 nan 8.240 nan 0.000 0.533 106 L N 0.409 121.742 121.223 0.185 0.000 2.127 106 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 106 L C 2.522 179.390 176.870 -0.003 0.000 1.089 106 L CA 0.968 55.935 54.840 0.212 0.000 0.757 106 L CB -0.774 41.461 42.059 0.292 0.000 0.899 106 L HN 0.618 nan 8.230 nan 0.000 0.434 107 L N -0.362 120.798 121.223 -0.105 0.000 2.012 107 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 107 L C 2.386 179.189 176.870 -0.111 0.000 1.073 107 L CA 1.957 56.665 54.840 -0.220 0.000 0.748 107 L CB -0.641 41.294 42.059 -0.206 0.000 0.891 107 L HN 0.235 nan 8.230 nan 0.000 0.431 108 H N -1.037 118.084 119.070 0.086 0.000 2.353 108 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 108 H C 2.226 177.536 175.328 -0.030 0.000 1.090 108 H CA 1.692 57.776 56.048 0.060 0.000 1.327 108 H CB -0.169 29.649 29.762 0.093 0.000 1.383 108 H HN 0.325 nan 8.280 nan 0.000 0.508 109 L N 0.097 121.389 121.223 0.115 0.000 2.056 109 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 109 L C 2.796 179.571 176.870 -0.157 0.000 1.078 109 L CA 0.795 55.668 54.840 0.055 0.000 0.749 109 L CB -0.456 41.709 42.059 0.177 0.000 0.901 109 L HN 0.344 nan 8.230 nan 0.000 0.433 110 A N -0.250 122.300 122.820 -0.449 0.000 2.015 110 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 110 A C 2.082 179.248 177.584 -0.697 0.000 1.163 110 A CA 1.969 53.509 52.037 -0.828 0.000 0.646 110 A CB -0.642 17.459 19.000 -1.500 0.000 0.806 110 A HN 0.515 nan 8.150 nan 0.000 0.448 111 T N -6.352 107.901 114.554 -0.501 0.000 3.129 111 T HA 0.320 4.670 4.350 -0.000 0.000 0.267 111 T C 0.299 174.767 174.700 -0.385 0.000 1.018 111 T CA 0.247 62.083 62.100 -0.440 0.000 0.903 111 T CB -0.800 68.113 68.868 0.076 0.000 1.067 111 T HN 0.690 nan 8.240 nan 0.000 0.549 112 Y N 0.936 121.211 120.300 -0.042 0.000 4.177 112 Y HA -0.278 4.272 4.550 -0.000 0.000 0.227 112 Y C 1.144 176.990 175.900 -0.090 0.000 1.154 112 Y CA 0.550 58.622 58.100 -0.046 0.000 1.887 112 Y CB -2.938 35.512 38.460 -0.016 0.000 1.594 112 Y HN 0.590 nan 8.280 nan 0.000 0.668 113 T N -4.074 110.449 114.554 -0.051 0.000 3.215 113 T HA 0.664 5.014 4.350 -0.000 0.000 0.271 113 T C 1.301 175.939 174.700 -0.102 0.000 1.012 113 T CA 0.126 62.112 62.100 -0.190 0.000 0.899 113 T CB 0.820 69.308 68.868 -0.632 0.000 1.089 113 T HN 0.480 nan 8.240 nan 0.000 0.552 114 A N 1.232 124.055 122.820 0.005 0.000 2.168 114 A HA 0.569 4.889 4.320 -0.000 0.000 0.215 114 A C 1.868 179.493 177.584 0.068 0.000 1.152 114 A CA 0.543 52.564 52.037 -0.027 0.000 0.716 114 A CB -0.819 18.154 19.000 -0.045 0.000 0.794 114 A HN 1.492 nan 8.150 nan 0.000 0.465 115 G N -3.049 105.867 108.800 0.194 0.000 2.247 115 G HA2 0.388 4.348 3.960 -0.000 0.000 0.111 115 G HA3 0.388 4.348 3.960 -0.000 0.000 0.111 115 G C 0.995 176.213 174.900 0.529 0.000 1.045 115 G CA 0.360 45.684 45.100 0.373 0.000 0.715 115 G HN 1.982 nan 8.290 nan 0.000 0.485 116 G N -1.053 108.076 108.800 0.547 0.000 2.135 116 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.183 116 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.183 116 G C 0.471 175.631 174.900 0.433 0.000 1.004 116 G CA 0.002 45.390 45.100 0.480 0.000 0.677 116 G HN 1.247 nan 8.290 nan 0.000 0.512 117 L N 2.024 123.343 121.223 0.161 0.000 2.506 117 L HA 0.261 4.601 4.340 -0.000 0.000 0.281 117 L C -0.820 176.110 176.870 0.100 0.000 1.228 117 L CA -1.211 53.526 54.840 -0.172 0.000 0.850 117 L CB 0.334 42.204 42.059 -0.314 0.000 1.110 117 L HN 0.092 nan 8.230 nan 0.000 0.496 118 P HA -0.036 nan 4.420 nan 0.000 0.272 118 P C 0.553 177.930 177.300 0.129 0.000 1.223 118 P CA -0.503 62.704 63.100 0.179 0.000 0.784 118 P CB 1.030 32.872 31.700 0.238 0.000 0.923 119 L N 1.628 122.916 121.223 0.108 0.000 2.021 119 L HA -0.179 4.160 4.340 -0.000 0.000 0.215 119 L C 0.928 177.833 176.870 0.059 0.000 1.074 119 L CA 2.112 56.997 54.840 0.075 0.000 0.760 119 L CB -0.691 41.426 42.059 0.098 0.000 0.889 119 L HN 0.478 nan 8.230 nan 0.000 0.433 120 Q N -1.632 118.205 119.800 0.062 0.000 2.451 120 Q HA 0.472 4.812 4.340 -0.000 0.000 0.281 120 Q C -1.107 174.884 176.000 -0.015 0.000 1.099 120 Q CA -1.096 54.729 55.803 0.036 0.000 0.806 120 Q CB 2.569 31.312 28.738 0.009 0.000 1.419 120 Q HN -0.113 nan 8.270 nan 0.000 0.427 121 V N 2.784 122.656 119.914 -0.070 0.000 2.555 121 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 121 V C -2.074 173.838 176.094 -0.303 0.000 1.044 121 V CA -1.244 60.859 62.300 -0.328 0.000 1.026 121 V CB 0.458 32.137 31.823 -0.239 0.000 0.981 121 V HN 0.637 nan 8.190 nan 0.000 0.480 122 P HA 0.054 nan 4.420 nan 0.000 0.267 122 P C 0.388 177.589 177.300 -0.166 0.000 1.200 122 P CA 0.035 62.996 63.100 -0.231 0.000 0.772 122 P CB 0.533 32.096 31.700 -0.228 0.000 0.855 123 D N 1.081 121.430 120.400 -0.084 0.000 2.182 123 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 123 D C 1.290 177.564 176.300 -0.045 0.000 0.986 123 D CA 1.324 55.296 54.000 -0.047 0.000 0.847 123 D CB 0.023 40.810 40.800 -0.022 0.000 0.942 123 D HN 0.453 nan 8.370 nan 0.000 0.467 124 E N -0.587 119.581 120.200 -0.053 0.000 2.274 124 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 124 E C 0.165 176.740 176.600 -0.042 0.000 0.996 124 E CA 0.145 56.524 56.400 -0.035 0.000 0.840 124 E CB 0.229 29.916 29.700 -0.022 0.000 0.772 124 E HN 0.074 nan 8.360 nan 0.000 0.491 125 V N 2.508 122.368 119.914 -0.089 0.000 2.421 125 V HA -0.004 4.116 4.120 -0.000 0.000 0.271 125 V C 0.988 177.055 176.094 -0.045 0.000 1.031 125 V CA 0.336 62.586 62.300 -0.084 0.000 1.032 125 V CB 0.747 32.447 31.823 -0.205 0.000 1.009 125 V HN 0.147 nan 8.190 nan 0.000 0.477 126 K N 2.651 123.045 120.400 -0.010 0.000 2.324 126 K HA 0.195 4.515 4.320 -0.000 0.000 0.222 126 K C 1.195 177.801 176.600 0.011 0.000 1.107 126 K CA 0.625 56.912 56.287 0.000 0.000 0.873 126 K CB -0.146 32.358 32.500 0.007 0.000 1.270 126 K HN 0.671 nan 8.250 nan 0.000 0.456 127 S N 0.684 116.398 115.700 0.024 0.000 2.634 127 S HA 0.117 4.587 4.470 -0.000 0.000 0.261 127 S C 1.363 175.998 174.600 0.058 0.000 1.271 127 S CA -0.254 57.966 58.200 0.034 0.000 0.985 127 S CB 1.316 64.538 63.200 0.038 0.000 0.968 127 S HN 0.127 nan 8.310 nan 0.000 0.568 128 S N 1.116 116.851 115.700 0.059 0.000 2.368 128 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 128 S C 2.313 177.011 174.600 0.164 0.000 1.030 128 S CA 1.594 59.848 58.200 0.092 0.000 0.999 128 S CB -0.867 62.370 63.200 0.063 0.000 0.844 128 S HN 0.928 nan 8.310 nan 0.000 0.459 129 S N 1.533 117.308 115.700 0.126 0.000 2.402 129 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 129 S C 1.322 176.005 174.600 0.138 0.000 1.021 129 S CA 1.102 59.381 58.200 0.133 0.000 0.974 129 S CB -0.447 62.806 63.200 0.089 0.000 0.800 129 S HN 0.311 nan 8.310 nan 0.000 0.484 130 D N 1.392 121.862 120.400 0.118 0.000 2.117 130 D HA 0.020 4.660 4.640 -0.000 0.000 0.198 130 D C 1.826 178.229 176.300 0.172 0.000 0.982 130 D CA 0.664 54.731 54.000 0.111 0.000 0.828 130 D CB -0.459 40.380 40.800 0.064 0.000 0.967 130 D HN 0.314 nan 8.370 nan 0.000 0.464 131 L N 0.487 121.840 121.223 0.216 0.000 2.027 131 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 131 L C 2.160 179.336 176.870 0.509 0.000 1.074 131 L CA 1.112 56.163 54.840 0.350 0.000 0.745 131 L CB -0.691 41.585 42.059 0.363 0.000 0.898 131 L HN 0.021 nan 8.230 nan 0.000 0.433 132 L N -0.427 121.082 121.223 0.477 0.000 2.012 132 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 132 L C 2.658 179.597 176.870 0.116 0.000 1.073 132 L CA 1.794 56.789 54.840 0.258 0.000 0.748 132 L CB -0.603 41.574 42.059 0.197 0.000 0.891 132 L HN 0.208 nan 8.230 nan 0.000 0.431 133 R N -1.651 118.938 120.500 0.149 0.000 2.081 133 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 133 R C 2.225 178.619 176.300 0.156 0.000 1.131 133 R CA 1.778 57.950 56.100 0.119 0.000 0.960 133 R CB -0.654 29.715 30.300 0.115 0.000 0.856 133 R HN 0.449 nan 8.270 nan 0.000 0.436 134 F N 0.362 120.328 119.950 0.026 0.000 2.069 134 F HA -0.263 4.263 4.527 -0.000 0.000 0.298 134 F C 1.618 177.429 175.800 0.019 0.000 1.113 134 F CA 1.479 59.455 58.000 -0.041 0.000 1.214 134 F CB -0.554 38.330 39.000 -0.194 0.000 0.978 134 F HN -0.049 nan 8.300 nan 0.000 0.474 135 Y N 0.417 120.665 120.300 -0.087 0.000 2.263 135 Y HA -0.143 4.407 4.550 -0.000 0.000 0.292 135 Y C 2.656 178.644 175.900 0.146 0.000 1.130 135 Y CA 1.443 59.490 58.100 -0.088 0.000 1.179 135 Y CB -1.008 37.347 38.460 -0.174 0.000 0.998 135 Y HN 0.123 nan 8.280 nan 0.000 0.532 136 Q N 0.051 119.924 119.800 0.122 0.000 2.170 136 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 136 Q C 1.306 177.417 176.000 0.185 0.000 0.976 136 Q CA 1.090 56.960 55.803 0.113 0.000 0.858 136 Q CB -0.269 28.457 28.738 -0.020 0.000 0.907 136 Q HN 0.518 nan 8.270 nan 0.000 0.433 137 N N -0.877 117.906 118.700 0.139 0.000 2.373 137 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 137 N C 0.014 175.576 175.510 0.087 0.000 1.082 137 N CA -0.056 53.050 53.050 0.094 0.000 0.885 137 N CB 0.003 38.536 38.487 0.077 0.000 0.977 137 N HN 0.214 nan 8.380 nan 0.000 0.462 138 W N 3.078 124.330 121.300 -0.080 0.000 2.223 138 W HA 0.092 4.752 4.660 -0.000 0.000 0.334 138 W C -0.404 176.044 176.519 -0.118 0.000 1.334 138 W CA 0.156 57.416 57.345 -0.143 0.000 1.246 138 W CB 0.558 29.891 29.460 -0.212 0.000 1.184 138 W HN -0.118 nan 8.180 nan 0.000 0.563 139 Q N 8.268 127.460 119.800 -1.013 0.000 2.331 139 Q HA 0.322 4.662 4.340 -0.000 0.000 0.267 139 Q C -2.064 173.013 176.000 -1.539 0.000 1.006 139 Q CA -2.052 53.111 55.803 -1.067 0.000 0.818 139 Q CB 1.484 29.898 28.738 -0.541 0.000 1.276 139 Q HN 0.402 nan 8.270 nan 0.000 0.450 140 P HA 0.079 nan 4.420 nan 0.000 0.269 140 P C -0.303 176.599 177.300 -0.663 0.000 1.215 140 P CA 0.069 62.499 63.100 -1.117 0.000 0.780 140 P CB 1.020 32.237 31.700 -0.805 0.000 0.898 141 A N 2.416 124.857 122.820 -0.631 0.000 2.081 141 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 141 A C 0.404 177.321 177.584 -1.113 0.000 1.158 141 A CA 0.519 51.940 52.037 -1.026 0.000 0.724 141 A CB -0.130 17.835 19.000 -1.725 0.000 0.826 141 A HN 0.595 nan 8.150 nan 0.000 0.463 142 W N -2.753 118.498 121.300 -0.081 0.000 3.042 142 W HA 0.635 5.295 4.660 -0.000 0.000 0.342 142 W C -0.052 176.409 176.519 -0.096 0.000 1.240 142 W CA -1.216 56.084 57.345 -0.075 0.000 1.166 142 W CB 0.968 30.398 29.460 -0.051 0.000 1.469 142 W HN 0.115 nan 8.180 nan 0.000 0.579 143 A N 2.216 125.120 122.820 0.140 0.000 2.366 143 A HA 0.589 4.909 4.320 -0.000 0.000 0.249 143 A C -2.250 175.336 177.584 0.003 0.000 1.084 143 A CA -0.834 51.222 52.037 0.031 0.000 0.794 143 A CB -0.684 18.334 19.000 0.031 0.000 1.034 143 A HN 0.132 nan 8.150 nan 0.000 0.491 144 P HA 0.291 nan 4.420 nan 0.000 0.269 144 P C 0.832 177.979 177.300 -0.255 0.000 1.215 144 P CA 1.541 64.437 63.100 -0.340 0.000 0.780 144 P CB 0.495 31.852 31.700 -0.571 0.000 0.898 145 G N 1.149 109.764 108.800 -0.308 0.000 2.179 145 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 145 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 145 G C 0.654 175.506 174.900 -0.080 0.000 1.010 145 G CA 0.830 45.900 45.100 -0.050 0.000 0.736 145 G HN 0.706 nan 8.290 nan 0.000 0.513 146 T N -5.231 109.232 114.554 -0.152 0.000 2.989 146 T HA 0.440 4.790 4.350 -0.000 0.000 0.250 146 T C 0.552 175.107 174.700 -0.242 0.000 0.981 146 T CA 0.743 62.776 62.100 -0.112 0.000 0.980 146 T CB 0.675 69.520 68.868 -0.038 0.000 1.133 146 T HN 0.260 nan 8.240 nan 0.000 0.489 147 Q N 0.945 120.552 119.800 -0.321 0.000 2.372 147 Q HA 0.491 4.831 4.340 -0.000 0.000 0.273 147 Q C -1.342 174.454 176.000 -0.339 0.000 1.078 147 Q CA -0.527 54.997 55.803 -0.465 0.000 0.806 147 Q CB 3.137 31.277 28.738 -0.997 0.000 1.332 147 Q HN 0.384 nan 8.270 nan 0.000 0.435 148 R N 2.167 122.500 120.500 -0.279 0.000 2.255 148 R HA 0.537 4.877 4.340 -0.000 0.000 0.326 148 R C -1.236 175.031 176.300 -0.053 0.000 0.986 148 R CA -0.590 55.432 56.100 -0.129 0.000 0.847 148 R CB 0.503 30.768 30.300 -0.058 0.000 1.111 148 R HN 0.448 nan 8.270 nan 0.000 0.452 149 L N 6.030 127.291 121.223 0.063 0.000 2.415 149 L HA 0.268 4.608 4.340 -0.000 0.000 0.268 149 L C -1.376 175.533 176.870 0.064 0.000 0.984 149 L CA -0.724 54.180 54.840 0.106 0.000 0.853 149 L CB 1.018 43.230 42.059 0.254 0.000 1.215 149 L HN 0.617 nan 8.230 nan 0.000 0.419 150 Y N 4.911 125.092 120.300 -0.198 0.000 2.810 150 Y HA 0.361 4.911 4.550 -0.000 0.000 0.332 150 Y C 0.019 175.723 175.900 -0.326 0.000 1.243 150 Y CA 0.934 58.688 58.100 -0.576 0.000 1.537 150 Y CB 0.464 38.658 38.460 -0.444 0.000 1.265 150 Y HN 0.829 nan 8.280 nan 0.000 0.572 151 A N 5.109 127.426 122.820 -0.839 0.000 2.485 151 A HA 0.601 4.921 4.320 -0.000 0.000 0.285 151 A C 0.210 177.692 177.584 -0.170 0.000 1.045 151 A CA -0.228 51.635 52.037 -0.290 0.000 0.792 151 A CB 0.433 19.438 19.000 0.009 0.000 1.307 151 A HN 1.146 nan 8.150 nan 0.000 0.406 152 A N 1.521 124.265 122.820 -0.126 0.000 1.969 152 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 152 A C 2.216 179.868 177.584 0.113 0.000 1.169 152 A CA 2.347 54.398 52.037 0.022 0.000 0.635 152 A CB -0.580 18.483 19.000 0.104 0.000 0.810 152 A HN 1.962 nan 8.150 nan 0.000 0.445 153 S N -1.158 114.630 115.700 0.146 0.000 2.515 153 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 153 S C 1.842 176.616 174.600 0.291 0.000 0.987 153 S CA 1.334 59.697 58.200 0.271 0.000 0.936 153 S CB -0.245 63.159 63.200 0.340 0.000 0.766 153 S HN 0.479 nan 8.310 nan 0.000 0.528 154 S N 1.180 116.996 115.700 0.194 0.000 2.370 154 S HA 0.255 4.725 4.470 -0.000 0.000 0.214 154 S C 1.621 176.305 174.600 0.139 0.000 1.033 154 S CA 0.397 58.695 58.200 0.165 0.000 0.941 154 S CB -0.536 62.776 63.200 0.186 0.000 0.886 154 S HN 0.557 nan 8.310 nan 0.000 0.521 155 I N 1.364 122.013 120.570 0.132 0.000 2.493 155 I HA 0.007 4.177 4.170 -0.000 0.000 0.254 155 I C 2.101 178.298 176.117 0.133 0.000 1.160 155 I CA 1.279 62.641 61.300 0.102 0.000 1.445 155 I CB -0.561 37.476 38.000 0.061 0.000 1.086 155 I HN 0.470 nan 8.210 nan 0.000 0.433 156 G N 0.931 109.782 108.800 0.085 0.000 2.418 156 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 156 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 156 G C 1.536 176.408 174.900 -0.048 0.000 1.158 156 G CA 0.884 45.974 45.100 -0.017 0.000 0.771 156 G HN 0.395 nan 8.290 nan 0.000 0.545 157 L N -0.277 120.969 121.223 0.038 0.000 2.109 157 L HA 0.187 4.527 4.340 -0.000 0.000 0.207 157 L C 2.395 179.242 176.870 -0.039 0.000 1.086 157 L CA 1.323 56.132 54.840 -0.052 0.000 0.760 157 L CB -0.682 41.289 42.059 -0.147 0.000 0.910 157 L HN 0.229 nan 8.230 nan 0.000 0.437 158 F N 0.397 120.296 119.950 -0.085 0.000 2.095 158 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 158 F C 2.158 177.907 175.800 -0.085 0.000 1.104 158 F CA 1.760 59.713 58.000 -0.078 0.000 1.232 158 F CB -1.040 37.920 39.000 -0.067 0.000 0.987 158 F HN 0.106 nan 8.300 nan 0.000 0.475 159 G N -0.180 108.496 108.800 -0.206 0.000 2.446 159 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 159 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 159 G C 1.841 176.598 174.900 -0.239 0.000 1.168 159 G CA 1.025 45.977 45.100 -0.247 0.000 0.771 159 G HN 0.662 nan 8.290 nan 0.000 0.551 160 A N 0.496 123.129 122.820 -0.312 0.000 1.902 160 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 160 A C 2.439 179.865 177.584 -0.264 0.000 1.181 160 A CA 1.356 53.231 52.037 -0.270 0.000 0.623 160 A CB -0.362 18.446 19.000 -0.320 0.000 0.818 160 A HN 0.365 nan 8.150 nan 0.000 0.443 161 L N -1.047 119.995 121.223 -0.301 0.000 2.156 161 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 161 L C 3.025 179.631 176.870 -0.441 0.000 1.095 161 L CA 0.802 55.465 54.840 -0.294 0.000 0.770 161 L CB -0.645 41.304 42.059 -0.183 0.000 0.914 161 L HN 0.416 nan 8.230 nan 0.000 0.439 162 A N 0.505 122.984 122.820 -0.568 0.000 1.978 162 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 162 A C 2.167 179.519 177.584 -0.386 0.000 1.170 162 A CA 2.005 53.669 52.037 -0.621 0.000 0.636 162 A CB -0.748 17.737 19.000 -0.858 0.000 0.810 162 A HN 0.357 nan 8.150 nan 0.000 0.448 163 V N -3.918 115.837 119.914 -0.265 0.000 3.608 163 V HA 0.057 4.177 4.120 -0.000 0.000 0.269 163 V C 1.694 177.700 176.094 -0.146 0.000 1.245 163 V CA 0.872 63.061 62.300 -0.186 0.000 1.138 163 V CB -0.425 31.315 31.823 -0.139 0.000 0.841 163 V HN 0.241 nan 8.190 nan 0.000 0.451 164 K N 1.551 121.860 120.400 -0.152 0.000 2.020 164 K HA -0.099 4.221 4.320 -0.000 0.000 0.212 164 K C 0.276 176.860 176.600 -0.027 0.000 1.050 164 K CA 2.185 58.428 56.287 -0.074 0.000 0.929 164 K CB -1.999 30.493 32.500 -0.014 0.000 0.714 164 K HN 0.458 nan 8.250 nan 0.000 0.443 165 P HA -0.140 nan 4.420 nan 0.000 0.216 165 P C 1.565 178.856 177.300 -0.016 0.000 1.150 165 P CA 1.773 64.888 63.100 0.024 0.000 0.843 165 P CB -0.086 31.638 31.700 0.039 0.000 0.787 166 S N -1.700 113.968 115.700 -0.053 0.000 2.423 166 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 166 S C 1.915 176.483 174.600 -0.054 0.000 1.014 166 S CA 1.125 59.288 58.200 -0.060 0.000 0.965 166 S CB -1.467 61.678 63.200 -0.092 0.000 0.785 166 S HN 0.302 nan 8.310 nan 0.000 0.495 167 G N 0.662 109.430 108.800 -0.053 0.000 2.179 167 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 167 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 167 G C -0.001 174.864 174.900 -0.058 0.000 0.977 167 G CA 0.483 45.556 45.100 -0.046 0.000 0.641 167 G HN 0.577 nan 8.290 nan 0.000 0.533 168 L N 1.700 122.878 121.223 -0.075 0.000 2.399 168 L HA 0.569 4.909 4.340 -0.000 0.000 0.266 168 L C 1.526 178.344 176.870 -0.085 0.000 1.114 168 L CA -0.202 54.587 54.840 -0.085 0.000 0.804 168 L CB 1.282 43.273 42.059 -0.113 0.000 1.146 168 L HN 0.402 nan 8.230 nan 0.000 0.451 169 S N 0.518 116.173 115.700 -0.074 0.000 2.589 169 S HA 0.041 4.511 4.470 -0.000 0.000 0.265 169 S C 0.850 175.416 174.600 -0.057 0.000 1.342 169 S CA -0.377 57.794 58.200 -0.049 0.000 1.005 169 S CB 0.444 63.623 63.200 -0.036 0.000 0.909 169 S HN 0.543 nan 8.310 nan 0.000 0.555 170 F N 1.129 120.986 119.950 -0.155 0.000 2.095 170 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 170 F C 2.536 178.221 175.800 -0.192 0.000 1.104 170 F CA 2.257 60.149 58.000 -0.181 0.000 1.232 170 F CB -0.427 38.464 39.000 -0.181 0.000 0.987 170 F HN 0.945 nan 8.300 nan 0.000 0.475 171 E N -0.503 119.666 120.200 -0.052 0.000 2.085 171 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 171 E C 2.158 178.610 176.600 -0.246 0.000 0.994 171 E CA 1.404 57.721 56.400 -0.138 0.000 0.801 171 E CB -0.109 29.588 29.700 -0.005 0.000 0.743 171 E HN 0.421 nan 8.360 nan 0.000 0.453 172 Q N -0.130 119.560 119.800 -0.184 0.000 2.079 172 Q HA -0.084 4.255 4.340 -0.000 0.000 0.200 172 Q C 2.073 177.915 176.000 -0.262 0.000 0.974 172 Q CA 1.320 57.015 55.803 -0.180 0.000 0.840 172 Q CB -0.372 28.297 28.738 -0.116 0.000 0.898 172 Q HN 0.372 nan 8.270 nan 0.000 0.430 173 A N 0.592 123.221 122.820 -0.318 0.000 1.877 173 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 173 A C 2.150 179.447 177.584 -0.479 0.000 1.186 173 A CA 1.855 53.679 52.037 -0.354 0.000 0.620 173 A CB -0.475 18.302 19.000 -0.372 0.000 0.822 173 A HN 0.343 nan 8.150 nan 0.000 0.443 174 M N -0.402 118.779 119.600 -0.699 0.000 2.086 174 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 174 M C 2.222 177.923 176.300 -0.997 0.000 1.067 174 M CA 2.349 57.096 55.300 -0.922 0.000 1.116 174 M CB -0.519 31.379 32.600 -1.170 0.000 1.348 174 M HN 0.581 nan 8.290 nan 0.000 0.407 175 Q N -1.109 118.238 119.800 -0.755 0.000 2.050 175 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 175 Q C 1.751 177.579 176.000 -0.287 0.000 0.980 175 Q CA 2.434 57.944 55.803 -0.487 0.000 0.840 175 Q CB -0.199 28.388 28.738 -0.252 0.000 0.898 175 Q HN 0.735 nan 8.270 nan 0.000 0.424 176 T N -2.572 111.833 114.554 -0.249 0.000 3.014 176 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 176 T C 1.607 176.219 174.700 -0.146 0.000 1.078 176 T CA 0.545 62.549 62.100 -0.161 0.000 1.135 176 T CB -0.004 68.785 68.868 -0.132 0.000 0.895 176 T HN 0.234 nan 8.240 nan 0.000 0.480 177 R N -0.057 120.325 120.500 -0.197 0.000 2.265 177 R HA 0.371 4.711 4.340 -0.000 0.000 0.194 177 R C 1.527 177.766 176.300 -0.101 0.000 0.931 177 R CA 0.248 56.264 56.100 -0.141 0.000 1.032 177 R CB 0.402 30.607 30.300 -0.158 0.000 0.980 177 R HN 0.303 nan 8.270 nan 0.000 0.497 178 V N -0.990 118.831 119.914 -0.155 0.000 3.134 178 V HA 0.024 4.144 4.120 -0.000 0.000 0.222 178 V C 1.410 177.583 176.094 0.131 0.000 1.247 178 V CA 0.440 62.733 62.300 -0.012 0.000 1.281 178 V CB -0.368 31.414 31.823 -0.068 0.000 1.169 178 V HN -0.033 nan 8.190 nan 0.000 0.512 179 F N 1.508 121.382 119.950 -0.126 0.000 2.069 179 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 179 F C 2.616 178.328 175.800 -0.145 0.000 1.113 179 F CA 1.547 59.438 58.000 -0.181 0.000 1.214 179 F CB -1.259 37.526 39.000 -0.358 0.000 0.978 179 F HN 0.198 nan 8.300 nan 0.000 0.474 180 Q N -0.244 119.586 119.800 0.051 0.000 2.046 180 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 180 Q C -0.301 175.700 176.000 0.003 0.000 0.975 180 Q CA 1.766 57.561 55.803 -0.014 0.000 0.836 180 Q CB -1.453 27.256 28.738 -0.048 0.000 0.896 180 Q HN 0.265 nan 8.270 nan 0.000 0.428 181 P HA -0.148 nan 4.420 nan 0.000 0.219 181 P C 0.584 177.911 177.300 0.044 0.000 1.146 181 P CA 1.212 64.324 63.100 0.021 0.000 0.808 181 P CB 0.054 31.767 31.700 0.022 0.000 0.779 182 L N -1.411 119.863 121.223 0.085 0.000 2.611 182 L HA 0.165 4.505 4.340 -0.000 0.000 0.229 182 L C 0.338 177.250 176.870 0.069 0.000 1.137 182 L CA 0.017 54.922 54.840 0.108 0.000 0.901 182 L CB -0.676 41.515 42.059 0.221 0.000 1.098 182 L HN -0.060 nan 8.230 nan 0.000 0.456 183 K N 0.999 121.415 120.400 0.025 0.000 3.150 183 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 183 K C -0.306 176.269 176.600 -0.041 0.000 1.028 183 K CA 0.401 56.678 56.287 -0.017 0.000 0.753 183 K CB -1.753 30.742 32.500 -0.007 0.000 1.288 183 K HN 0.337 nan 8.250 nan 0.000 0.473 184 L N 1.460 122.640 121.223 -0.071 0.000 2.389 184 L HA 0.134 4.474 4.340 -0.000 0.000 0.265 184 L C 1.034 177.704 176.870 -0.334 0.000 1.167 184 L CA -0.538 54.198 54.840 -0.172 0.000 1.045 184 L CB 0.174 42.088 42.059 -0.243 0.000 1.351 184 L HN 0.187 nan 8.230 nan 0.000 0.419 185 N N 0.259 118.777 118.700 -0.303 0.000 2.515 185 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 185 N C 0.663 175.755 175.510 -0.696 0.000 1.109 185 N CA 0.788 53.556 53.050 -0.470 0.000 0.903 185 N CB 0.216 38.449 38.487 -0.423 0.000 0.969 185 N HN 0.518 nan 8.380 nan 0.000 0.450 186 H N -0.615 118.320 119.070 -0.226 0.000 2.562 186 H HA 0.288 4.844 4.556 -0.000 0.000 0.249 186 H C -0.320 174.830 175.328 -0.297 0.000 1.195 186 H CA -0.096 55.881 56.048 -0.119 0.000 0.938 186 H CB 0.323 30.072 29.762 -0.022 0.000 1.891 186 H HN -0.135 nan 8.280 nan 0.000 0.595 187 T N 0.762 114.892 114.554 -0.707 0.000 2.812 187 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 187 T C -0.706 173.214 174.700 -1.300 0.000 0.990 187 T CA -0.455 61.071 62.100 -0.957 0.000 0.960 187 T CB 1.491 69.553 68.868 -1.343 0.000 0.948 187 T HN 0.245 nan 8.240 nan 0.000 0.438 188 W N 1.602 122.599 121.300 -0.504 0.000 3.107 188 W HA 0.563 5.223 4.660 0.000 0.000 0.331 188 W C 0.544 176.951 176.519 -0.187 0.000 1.204 188 W CA -0.800 56.393 57.345 -0.253 0.000 1.184 188 W CB 1.215 30.530 29.460 -0.241 0.000 1.421 188 W HN 0.486 nan 8.180 nan 0.000 0.544 189 I N 1.009 121.706 120.570 0.213 0.000 2.810 189 I HA 0.044 4.213 4.170 -0.000 0.000 0.262 189 I C -0.054 176.091 176.117 0.046 0.000 1.131 189 I CA 0.576 61.926 61.300 0.085 0.000 1.453 189 I CB 0.024 38.081 38.000 0.095 0.000 1.161 189 I HN 0.328 nan 8.210 nan 0.000 0.444 190 N N 0.506 119.271 118.700 0.109 0.000 2.479 190 N HA 0.281 5.021 4.740 -0.000 0.000 0.261 190 N C -0.855 174.586 175.510 -0.115 0.000 0.979 190 N CA -0.321 52.724 53.050 -0.009 0.000 0.930 190 N CB 2.208 40.692 38.487 -0.004 0.000 1.172 190 N HN -0.186 nan 8.380 nan 0.000 0.499 191 V N 4.506 124.270 119.914 -0.250 0.000 2.450 191 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 191 V C -1.356 174.436 176.094 -0.503 0.000 1.019 191 V CA -0.947 61.071 62.300 -0.471 0.000 1.062 191 V CB -0.315 31.222 31.823 -0.477 0.000 0.979 191 V HN 0.603 nan 8.190 nan 0.000 0.477 192 P HA 0.243 nan 4.420 nan 0.000 0.274 192 P C -2.289 174.794 177.300 -0.361 0.000 1.246 192 P CA -1.705 61.041 63.100 -0.590 0.000 0.795 192 P CB 0.595 31.784 31.700 -0.851 0.000 1.006 193 P HA -0.212 nan 4.420 nan 0.000 0.216 193 P C 1.539 178.764 177.300 -0.124 0.000 1.154 193 P CA 2.384 65.401 63.100 -0.139 0.000 0.865 193 P CB -0.511 31.128 31.700 -0.102 0.000 0.789 194 A N -0.329 122.406 122.820 -0.141 0.000 2.019 194 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 194 A C 2.009 179.544 177.584 -0.083 0.000 1.164 194 A CA 1.483 53.465 52.037 -0.091 0.000 0.644 194 A CB -0.807 18.150 19.000 -0.072 0.000 0.805 194 A HN 0.147 nan 8.150 nan 0.000 0.449 195 E N -0.508 119.602 120.200 -0.151 0.000 2.472 195 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 195 E C 1.386 177.943 176.600 -0.072 0.000 1.033 195 E CA 0.131 56.466 56.400 -0.108 0.000 0.886 195 E CB -0.036 29.549 29.700 -0.191 0.000 0.944 195 E HN 0.745 nan 8.360 nan 0.000 0.492 196 E N 1.413 121.574 120.200 -0.066 0.000 2.130 196 E HA -0.232 4.117 4.350 -0.000 0.000 0.196 196 E C 1.998 178.612 176.600 0.022 0.000 0.998 196 E CA 1.462 57.863 56.400 0.001 0.000 0.806 196 E CB -0.143 29.553 29.700 -0.006 0.000 0.738 196 E HN 0.256 nan 8.360 nan 0.000 0.459 197 K N 0.359 120.765 120.400 0.009 0.000 2.280 197 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 197 K C 1.364 177.979 176.600 0.024 0.000 1.047 197 K CA 1.195 57.495 56.287 0.020 0.000 0.942 197 K CB 0.049 32.558 32.500 0.015 0.000 0.739 197 K HN -0.018 nan 8.250 nan 0.000 0.457 198 N N 0.091 118.802 118.700 0.019 0.000 2.353 198 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 198 N C -0.697 174.840 175.510 0.045 0.000 1.098 198 N CA 0.031 53.090 53.050 0.015 0.000 0.872 198 N CB 0.198 38.677 38.487 -0.013 0.000 0.970 198 N HN 0.323 nan 8.380 nan 0.000 0.467 199 Y N 2.190 122.413 120.300 -0.129 0.000 2.584 199 Y HA 0.269 4.819 4.550 -0.000 0.000 0.351 199 Y C 0.589 176.387 175.900 -0.170 0.000 1.030 199 Y CA -1.099 56.890 58.100 -0.185 0.000 1.332 199 Y CB 0.294 38.599 38.460 -0.259 0.000 1.148 199 Y HN -0.023 nan 8.280 nan 0.000 0.528 200 A N 6.144 129.027 122.820 0.105 0.000 2.448 200 A HA -0.002 4.318 4.320 -0.000 0.000 0.239 200 A C -1.089 176.515 177.584 0.034 0.000 1.080 200 A CA -0.143 51.913 52.037 0.031 0.000 0.779 200 A CB 0.298 19.264 19.000 -0.056 0.000 1.026 200 A HN 0.943 nan 8.150 nan 0.000 0.499 201 W N 0.040 121.356 121.300 0.027 0.000 2.376 201 W HA 0.503 5.163 4.660 -0.000 0.000 0.322 201 W C 0.798 177.019 176.519 -0.497 0.000 1.160 201 W CA 0.285 57.441 57.345 -0.316 0.000 1.218 201 W CB 1.440 30.558 29.460 -0.569 0.000 1.205 201 W HN 0.935 nan 8.180 nan 0.000 0.559 202 G N 1.539 110.142 108.800 -0.328 0.000 2.451 202 G HA2 0.505 4.465 3.960 -0.000 0.000 0.303 202 G HA3 0.505 4.465 3.960 -0.000 0.000 0.303 202 G C -2.117 172.362 174.900 -0.701 0.000 1.166 202 G CA -0.456 44.113 45.100 -0.885 0.000 0.884 202 G HN 0.437 nan 8.290 nan 0.000 0.514 203 Y N -0.105 120.095 120.300 -0.167 0.000 2.338 203 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 203 Y C 0.469 176.355 175.900 -0.023 0.000 0.968 203 Y CA -0.797 57.268 58.100 -0.058 0.000 1.123 203 Y CB 2.278 40.714 38.460 -0.040 0.000 1.165 203 Y HN 0.490 nan 8.280 nan 0.000 0.452 204 R N 2.819 123.380 120.500 0.101 0.000 2.502 204 R HA 0.298 4.638 4.340 -0.000 0.000 0.300 204 R C -0.814 175.529 176.300 0.071 0.000 0.984 204 R CA -0.439 55.708 56.100 0.080 0.000 0.882 204 R CB 0.824 31.157 30.300 0.055 0.000 1.180 204 R HN 0.903 nan 8.270 nan 0.000 0.444 205 E N 2.853 123.092 120.200 0.066 0.000 2.228 205 E HA -0.276 4.074 4.350 -0.000 0.000 0.213 205 E C 0.607 177.235 176.600 0.047 0.000 1.282 205 E CA 0.733 57.161 56.400 0.046 0.000 0.707 205 E CB -1.152 28.567 29.700 0.031 0.000 1.150 205 E HN 1.187 nan 8.360 nan 0.000 0.362 206 G N -0.020 108.821 108.800 0.070 0.000 2.302 206 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.263 206 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.263 206 G C 0.325 175.297 174.900 0.119 0.000 0.995 206 G CA 1.135 46.276 45.100 0.069 0.000 0.622 206 G HN 0.340 nan 8.290 nan 0.000 0.538 207 K N 0.955 121.406 120.400 0.085 0.000 2.143 207 K HA 0.673 4.993 4.320 -0.000 0.000 0.272 207 K C 0.431 176.996 176.600 -0.059 0.000 1.001 207 K CA 0.002 56.298 56.287 0.015 0.000 0.915 207 K CB 1.600 34.080 32.500 -0.033 0.000 1.047 207 K HN 0.458 nan 8.250 nan 0.000 0.458 208 A N 2.288 124.957 122.820 -0.252 0.000 2.409 208 A HA 0.422 4.742 4.320 -0.000 0.000 0.267 208 A C -0.117 177.255 177.584 -0.353 0.000 1.127 208 A CA -0.459 51.217 52.037 -0.602 0.000 0.795 208 A CB -0.081 18.330 19.000 -0.981 0.000 1.061 208 A HN 0.549 nan 8.150 nan 0.000 0.502 209 V N 0.843 120.691 119.914 -0.109 0.000 3.114 209 V HA 0.708 4.828 4.120 -0.000 0.000 0.308 209 V C -0.759 175.510 176.094 0.292 0.000 1.168 209 V CA -0.806 61.563 62.300 0.116 0.000 1.015 209 V CB 1.417 33.285 31.823 0.075 0.000 1.050 209 V HN 0.959 nan 8.190 nan 0.000 0.433 210 H N 0.267 119.489 119.070 0.253 0.000 2.690 210 H HA 0.668 5.224 4.556 -0.000 0.000 0.368 210 H C -0.649 174.785 175.328 0.177 0.000 1.150 210 H CA -0.941 55.195 56.048 0.147 0.000 1.174 210 H CB 2.341 32.054 29.762 -0.082 0.000 1.684 210 H HN 0.805 nan 8.280 nan 0.000 0.538 211 V N 2.631 122.734 119.914 0.314 0.000 2.763 211 V HA -0.011 4.109 4.120 -0.000 0.000 0.306 211 V C -0.164 176.053 176.094 0.206 0.000 1.059 211 V CA 0.433 62.873 62.300 0.233 0.000 1.138 211 V CB 0.848 32.811 31.823 0.233 0.000 0.940 211 V HN 0.753 nan 8.190 nan 0.000 0.489 212 S N 6.906 122.711 115.700 0.175 0.000 2.646 212 S HA 0.535 5.005 4.470 -0.000 0.000 0.276 212 S C -2.332 172.374 174.600 0.176 0.000 1.222 212 S CA -0.756 57.535 58.200 0.152 0.000 1.014 212 S CB 1.223 64.491 63.200 0.112 0.000 0.991 212 S HN 0.804 nan 8.310 nan 0.000 0.533 213 P HA 0.483 nan 4.420 nan 0.000 0.269 213 P C -0.168 177.200 177.300 0.113 0.000 1.215 213 P CA -0.056 63.102 63.100 0.097 0.000 0.780 213 P CB 0.424 32.157 31.700 0.054 0.000 0.898 214 G N -0.437 108.416 108.800 0.089 0.000 2.601 214 G HA2 0.543 4.503 3.960 -0.000 0.000 0.291 214 G HA3 0.543 4.503 3.960 -0.000 0.000 0.291 214 G C -1.545 173.363 174.900 0.013 0.000 1.456 214 G CA -0.425 44.733 45.100 0.097 0.000 0.804 214 G HN 0.519 nan 8.290 nan 0.000 0.499 215 A N 0.090 122.911 122.820 0.001 0.000 2.477 215 A HA 0.576 4.896 4.320 -0.000 0.000 0.246 215 A C 1.375 178.921 177.584 -0.064 0.000 1.078 215 A CA 0.434 52.450 52.037 -0.035 0.000 0.770 215 A CB -0.352 18.629 19.000 -0.032 0.000 1.011 215 A HN 1.769 nan 8.150 nan 0.000 0.494 216 L N 0.537 121.685 121.223 -0.125 0.000 4.001 216 L HA -0.307 4.033 4.340 -0.000 0.000 0.413 216 L C 1.115 177.772 176.870 -0.356 0.000 1.185 216 L CA 0.635 55.352 54.840 -0.205 0.000 0.963 216 L CB -1.703 40.302 42.059 -0.089 0.000 1.976 216 L HN 1.013 nan 8.230 nan 0.000 0.939 217 D N 0.101 120.231 120.400 -0.449 0.000 2.117 217 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 217 D C 1.965 177.810 176.300 -0.758 0.000 0.982 217 D CA 1.328 54.740 54.000 -0.979 0.000 0.828 217 D CB -0.108 40.252 40.800 -0.733 0.000 0.967 217 D HN 0.423 nan 8.370 nan 0.000 0.464 218 A N 0.852 123.409 122.820 -0.437 0.000 1.908 218 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 218 A C 2.100 179.463 177.584 -0.369 0.000 1.181 218 A CA 1.989 53.863 52.037 -0.273 0.000 0.627 218 A CB -0.687 18.243 19.000 -0.116 0.000 0.818 218 A HN 0.220 nan 8.150 nan 0.000 0.445 219 E N -0.573 119.206 120.200 -0.702 0.000 2.208 219 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 219 E C 1.896 178.325 176.600 -0.286 0.000 0.988 219 E CA 1.216 57.127 56.400 -0.814 0.000 0.828 219 E CB -0.186 28.994 29.700 -0.867 0.000 0.763 219 E HN 0.606 nan 8.360 nan 0.000 0.478 220 A N -0.501 122.176 122.820 -0.237 0.000 2.127 220 A HA 0.130 4.450 4.320 -0.000 0.000 0.204 220 A C 0.622 178.291 177.584 0.142 0.000 1.243 220 A CA 0.297 52.330 52.037 -0.006 0.000 0.887 220 A CB 0.087 19.139 19.000 0.086 0.000 0.933 220 A HN 0.377 nan 8.150 nan 0.000 0.479 221 Y N -3.918 116.394 120.300 0.021 0.000 2.979 221 Y HA 0.495 5.045 4.550 -0.000 0.000 0.251 221 Y C 0.925 176.836 175.900 0.019 0.000 1.092 221 Y CA -0.486 57.640 58.100 0.044 0.000 1.206 221 Y CB -0.433 38.062 38.460 0.057 0.000 1.254 221 Y HN -0.027 nan 8.280 nan 0.000 0.625 222 G N 0.621 109.359 108.800 -0.104 0.000 2.777 222 G HA2 0.203 4.163 3.960 -0.000 0.000 0.211 222 G HA3 0.203 4.163 3.960 -0.000 0.000 0.211 222 G C 0.068 174.939 174.900 -0.048 0.000 1.149 222 G CA 0.323 45.368 45.100 -0.092 0.000 0.785 222 G HN 0.148 nan 8.290 nan 0.000 0.536 223 V N 0.710 120.594 119.914 -0.051 0.000 2.583 223 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 223 V C -0.269 175.717 176.094 -0.179 0.000 1.051 223 V CA -0.281 61.925 62.300 -0.157 0.000 1.010 223 V CB 1.292 32.920 31.823 -0.324 0.000 0.988 223 V HN 0.127 nan 8.190 nan 0.000 0.478 224 K N 2.660 122.911 120.400 -0.249 0.000 2.324 224 K HA 0.788 5.108 4.320 -0.000 0.000 0.253 224 K C -0.548 175.901 176.600 -0.253 0.000 0.932 224 K CA -0.188 55.934 56.287 -0.275 0.000 0.799 224 K CB 2.059 34.277 32.500 -0.470 0.000 1.154 224 K HN 0.727 nan 8.250 nan 0.000 0.425 225 S N 0.316 115.935 115.700 -0.136 0.000 2.615 225 S HA 0.602 5.072 4.470 -0.000 0.000 0.269 225 S C -1.150 173.501 174.600 0.085 0.000 1.161 225 S CA -0.707 57.433 58.200 -0.101 0.000 0.817 225 S CB 0.951 64.048 63.200 -0.171 0.000 1.131 225 S HN 0.667 nan 8.310 nan 0.000 0.467 226 T N 0.399 115.007 114.554 0.089 0.000 2.912 226 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 226 T C 1.280 176.085 174.700 0.175 0.000 0.989 226 T CA -0.529 61.672 62.100 0.169 0.000 0.995 226 T CB 0.806 69.722 68.868 0.079 0.000 1.077 226 T HN 0.471 nan 8.240 nan 0.000 0.531 227 I N 0.753 121.441 120.570 0.197 0.000 2.361 227 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 227 I C 2.358 178.611 176.117 0.227 0.000 1.133 227 I CA 1.454 62.877 61.300 0.205 0.000 1.413 227 I CB -0.581 37.557 38.000 0.231 0.000 1.073 227 I HN 0.803 nan 8.210 nan 0.000 0.424 228 E N 0.038 120.274 120.200 0.061 0.000 2.047 228 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 228 E C 1.724 178.421 176.600 0.163 0.000 0.987 228 E CA 1.507 57.946 56.400 0.066 0.000 0.799 228 E CB -0.235 29.410 29.700 -0.091 0.000 0.752 228 E HN 0.491 nan 8.360 nan 0.000 0.449 229 D N 0.239 120.710 120.400 0.117 0.000 2.144 229 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 229 D C 1.841 178.259 176.300 0.196 0.000 0.984 229 D CA 0.911 54.975 54.000 0.108 0.000 0.834 229 D CB -0.039 40.760 40.800 -0.001 0.000 0.955 229 D HN 0.077 nan 8.370 nan 0.000 0.465 230 M N 0.216 119.950 119.600 0.223 0.000 2.229 230 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 230 M C 2.183 178.664 176.300 0.302 0.000 1.063 230 M CA 0.600 56.089 55.300 0.315 0.000 1.114 230 M CB -0.948 31.819 32.600 0.278 0.000 1.387 230 M HN -0.025 nan 8.290 nan 0.000 0.420 231 A N -0.207 122.766 122.820 0.255 0.000 1.930 231 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 231 A C 2.374 180.028 177.584 0.117 0.000 1.175 231 A CA 1.655 53.797 52.037 0.175 0.000 0.627 231 A CB -0.639 18.487 19.000 0.210 0.000 0.815 231 A HN 0.446 nan 8.150 nan 0.000 0.443 232 R N -1.355 119.243 120.500 0.163 0.000 2.092 232 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 232 R C 2.121 178.518 176.300 0.162 0.000 1.119 232 R CA 1.381 57.555 56.100 0.124 0.000 0.970 232 R CB -0.360 30.018 30.300 0.130 0.000 0.864 232 R HN 0.833 nan 8.270 nan 0.000 0.440 233 W N 0.404 121.722 121.300 0.030 0.000 2.338 233 W HA -0.210 4.450 4.660 -0.000 0.000 0.304 233 W C 1.339 177.789 176.519 -0.115 0.000 1.212 233 W CA 1.182 58.535 57.345 0.013 0.000 1.264 233 W CB 0.007 29.525 29.460 0.096 0.000 1.142 233 W HN -0.030 nan 8.180 nan 0.000 0.512 234 V N 1.190 121.013 119.914 -0.152 0.000 2.358 234 V HA -0.318 3.801 4.120 -0.000 0.000 0.246 234 V C 2.368 178.111 176.094 -0.585 0.000 1.047 234 V CA 2.127 64.116 62.300 -0.519 0.000 1.035 234 V CB -0.932 30.727 31.823 -0.273 0.000 0.658 234 V HN 0.231 nan 8.190 nan 0.000 0.452 235 Q N -0.159 119.456 119.800 -0.307 0.000 2.096 235 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 235 Q C 2.480 178.293 176.000 -0.311 0.000 0.982 235 Q CA 1.984 57.625 55.803 -0.270 0.000 0.850 235 Q CB -0.268 28.384 28.738 -0.143 0.000 0.901 235 Q HN 0.611 nan 8.270 nan 0.000 0.422 236 S N 1.110 116.638 115.700 -0.287 0.000 2.382 236 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 236 S C 1.446 175.790 174.600 -0.425 0.000 1.027 236 S CA 1.454 59.493 58.200 -0.270 0.000 0.991 236 S CB -0.217 62.894 63.200 -0.150 0.000 0.823 236 S HN 0.390 nan 8.310 nan 0.000 0.469 237 N N 0.882 119.151 118.700 -0.718 0.000 2.416 237 N HA 0.211 4.951 4.740 -0.000 0.000 0.177 237 N C 1.471 176.512 175.510 -0.782 0.000 1.036 237 N CA 0.257 52.804 53.050 -0.839 0.000 0.901 237 N CB -0.129 37.601 38.487 -1.262 0.000 0.976 237 N HN 0.251 nan 8.380 nan 0.000 0.444 238 L N 0.025 120.771 121.223 -0.796 0.000 2.072 238 L HA 0.015 4.354 4.340 -0.000 0.000 0.205 238 L C 0.394 177.096 176.870 -0.280 0.000 1.079 238 L CA 1.058 55.598 54.840 -0.499 0.000 0.752 238 L CB 0.124 41.926 42.059 -0.428 0.000 0.906 238 L HN 0.031 nan 8.230 nan 0.000 0.436 239 K N -0.768 119.476 120.400 -0.260 0.000 2.842 239 K HA 0.211 4.531 4.320 -0.000 0.000 0.176 239 K C -1.987 174.522 176.600 -0.151 0.000 1.080 239 K CA -1.276 54.908 56.287 -0.172 0.000 0.954 239 K CB 1.427 33.842 32.500 -0.143 0.000 1.203 239 K HN -0.124 nan 8.250 nan 0.000 0.611 240 P HA -0.157 nan 4.420 nan 0.000 0.218 240 P C 1.045 178.301 177.300 -0.074 0.000 1.148 240 P CA 0.960 63.993 63.100 -0.112 0.000 0.822 240 P CB 0.231 31.872 31.700 -0.097 0.000 0.784 241 L N -0.879 120.302 121.223 -0.070 0.000 2.362 241 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 241 L C 1.280 178.121 176.870 -0.048 0.000 1.134 241 L CA 1.183 55.992 54.840 -0.052 0.000 0.807 241 L CB -0.870 41.160 42.059 -0.049 0.000 0.927 241 L HN -0.046 nan 8.230 nan 0.000 0.447 242 D N 0.185 120.551 120.400 -0.058 0.000 2.363 242 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 242 D C 0.733 177.009 176.300 -0.040 0.000 1.020 242 D CA 0.514 54.484 54.000 -0.051 0.000 0.892 242 D CB 0.138 40.901 40.800 -0.061 0.000 0.900 242 D HN 0.236 nan 8.370 nan 0.000 0.531 243 I N 1.375 121.922 120.570 -0.038 0.000 2.371 243 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 243 I C 1.375 177.483 176.117 -0.016 0.000 1.028 243 I CA -0.464 60.822 61.300 -0.023 0.000 1.345 243 I CB 1.100 39.089 38.000 -0.018 0.000 1.407 243 I HN -0.188 nan 8.210 nan 0.000 0.501 244 N N 4.060 122.754 118.700 -0.011 0.000 2.106 244 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 244 N C 0.186 175.692 175.510 -0.007 0.000 1.029 244 N CA 1.022 54.066 53.050 -0.010 0.000 0.848 244 N CB -0.043 38.438 38.487 -0.009 0.000 1.007 244 N HN 0.563 nan 8.380 nan 0.000 0.423 245 E N 1.724 121.922 120.200 -0.003 0.000 2.383 245 E HA 0.014 4.364 4.350 -0.000 0.000 0.257 245 E C 0.892 177.492 176.600 -0.001 0.000 1.079 245 E CA 0.163 56.561 56.400 -0.002 0.000 0.934 245 E CB 0.527 30.228 29.700 0.001 0.000 0.978 245 E HN 0.196 nan 8.360 nan 0.000 0.462 246 K N 1.464 121.862 120.400 -0.004 0.000 2.032 246 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 246 K C 1.968 178.570 176.600 0.002 0.000 1.048 246 K CA 1.889 58.175 56.287 -0.003 0.000 0.927 246 K CB -0.282 32.215 32.500 -0.004 0.000 0.712 246 K HN 0.603 nan 8.250 nan 0.000 0.441 247 T N 0.317 114.873 114.554 0.003 0.000 2.867 247 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 247 T C 1.873 176.584 174.700 0.018 0.000 1.057 247 T CA 0.771 62.876 62.100 0.008 0.000 1.136 247 T CB -0.194 68.674 68.868 0.001 0.000 0.874 247 T HN 0.029 nan 8.240 nan 0.000 0.466 248 L N 1.321 122.555 121.223 0.019 0.000 2.072 248 L HA 0.090 4.429 4.340 -0.000 0.000 0.205 248 L C 2.825 179.716 176.870 0.035 0.000 1.079 248 L CA 1.824 56.687 54.840 0.038 0.000 0.752 248 L CB -1.090 40.994 42.059 0.043 0.000 0.906 248 L HN 0.429 nan 8.230 nan 0.000 0.436 249 Q N -0.825 118.984 119.800 0.015 0.000 2.061 249 Q HA -0.296 4.043 4.340 -0.000 0.000 0.204 249 Q C 2.092 178.096 176.000 0.007 0.000 0.984 249 Q CA 2.379 58.182 55.803 -0.001 0.000 0.846 249 Q CB -0.168 28.564 28.738 -0.010 0.000 0.902 249 Q HN 0.678 nan 8.270 nan 0.000 0.421 250 Q N -0.490 119.319 119.800 0.016 0.000 2.079 250 Q HA -0.078 4.261 4.340 -0.000 0.000 0.200 250 Q C 2.133 178.162 176.000 0.049 0.000 0.974 250 Q CA 1.164 56.981 55.803 0.024 0.000 0.840 250 Q CB -0.278 28.474 28.738 0.023 0.000 0.898 250 Q HN 0.581 nan 8.270 nan 0.000 0.430 251 G N 1.123 109.959 108.800 0.060 0.000 2.440 251 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 251 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 251 G C 1.415 176.386 174.900 0.119 0.000 1.154 251 G CA 0.723 45.879 45.100 0.094 0.000 0.767 251 G HN 0.229 nan 8.290 nan 0.000 0.552 252 I N 0.157 120.780 120.570 0.089 0.000 2.252 252 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 252 I C 3.017 179.175 176.117 0.068 0.000 1.102 252 I CA 1.114 62.460 61.300 0.077 0.000 1.385 252 I CB -0.203 37.786 38.000 -0.019 0.000 1.064 252 I HN 0.219 nan 8.210 nan 0.000 0.414 253 Q N 0.375 120.197 119.800 0.037 0.000 2.119 253 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 253 Q C 2.335 178.373 176.000 0.064 0.000 0.972 253 Q CA 1.284 57.101 55.803 0.023 0.000 0.847 253 Q CB -0.089 28.648 28.738 -0.001 0.000 0.903 253 Q HN 0.521 nan 8.270 nan 0.000 0.433 254 L N -0.103 121.183 121.223 0.105 0.000 2.141 254 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 254 L C 2.329 179.362 176.870 0.272 0.000 1.094 254 L CA 0.750 55.691 54.840 0.168 0.000 0.763 254 L CB -0.443 41.723 42.059 0.178 0.000 0.908 254 L HN 0.192 nan 8.230 nan 0.000 0.437 255 A N -0.797 122.180 122.820 0.262 0.000 2.119 255 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 255 A C 2.010 179.831 177.584 0.396 0.000 1.153 255 A CA 0.917 53.163 52.037 0.350 0.000 0.692 255 A CB -0.176 19.052 19.000 0.380 0.000 0.799 255 A HN 0.480 nan 8.150 nan 0.000 0.458 256 Q N 0.015 119.962 119.800 0.246 0.000 2.247 256 Q HA 0.197 4.537 4.340 -0.000 0.000 0.204 256 Q C -0.172 175.854 176.000 0.045 0.000 0.872 256 Q CA -0.308 55.579 55.803 0.140 0.000 0.951 256 Q CB 0.471 29.212 28.738 0.005 0.000 1.099 256 Q HN 0.474 nan 8.270 nan 0.000 0.501 257 S N 1.013 116.723 115.700 0.017 0.000 2.585 257 S HA 0.233 4.703 4.470 -0.000 0.000 0.273 257 S C 0.089 174.484 174.600 -0.342 0.000 1.339 257 S CA -0.205 57.846 58.200 -0.247 0.000 1.028 257 S CB 0.603 63.536 63.200 -0.445 0.000 0.906 257 S HN 0.229 nan 8.310 nan 0.000 0.528 258 R N 1.603 121.866 120.500 -0.394 0.000 2.204 258 R HA 0.234 4.574 4.340 -0.000 0.000 0.341 258 R C -0.346 175.756 176.300 -0.329 0.000 1.035 258 R CA -0.138 55.832 56.100 -0.217 0.000 0.887 258 R CB 0.345 30.503 30.300 -0.237 0.000 1.114 258 R HN 0.693 nan 8.270 nan 0.000 0.473 259 Y N 0.593 120.877 120.300 -0.027 0.000 2.436 259 Y HA 0.106 4.656 4.550 -0.000 0.000 0.288 259 Y C 0.211 175.759 175.900 -0.587 0.000 1.112 259 Y CA 0.373 58.286 58.100 -0.312 0.000 1.220 259 Y CB 0.465 38.737 38.460 -0.314 0.000 1.073 259 Y HN 0.450 nan 8.280 nan 0.000 0.552 260 W N -0.329 121.141 121.300 0.282 0.000 3.107 260 W HA 0.556 5.216 4.660 0.000 0.000 0.331 260 W C -0.914 175.726 176.519 0.200 0.000 1.204 260 W CA -1.003 56.467 57.345 0.208 0.000 1.184 260 W CB 1.217 30.784 29.460 0.177 0.000 1.421 260 W HN -0.458 nan 8.180 nan 0.000 0.544 261 Q N 1.506 121.520 119.800 0.358 0.000 2.356 261 Q HA 0.673 5.013 4.340 -0.000 0.000 0.270 261 Q C -0.997 175.031 176.000 0.047 0.000 1.058 261 Q CA -0.574 55.277 55.803 0.079 0.000 0.802 261 Q CB 2.225 30.953 28.738 -0.016 0.000 1.303 261 Q HN 0.483 nan 8.270 nan 0.000 0.444 262 T N 0.869 115.393 114.554 -0.050 0.000 2.949 262 T HA 0.672 5.021 4.350 -0.000 0.000 0.300 262 T C 0.553 175.196 174.700 -0.095 0.000 0.988 262 T CA 0.249 62.325 62.100 -0.039 0.000 0.993 262 T CB 1.168 70.033 68.868 -0.004 0.000 0.984 262 T HN 1.084 nan 8.240 nan 0.000 0.442 263 G N 4.740 113.484 108.800 -0.093 0.000 2.556 263 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.283 263 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.283 263 G C 0.298 175.104 174.900 -0.156 0.000 1.177 263 G CA 0.655 45.696 45.100 -0.099 0.000 0.978 263 G HN 1.208 nan 8.290 nan 0.000 0.554 264 D N 0.134 120.449 120.400 -0.143 0.000 2.368 264 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 264 D C 1.078 177.251 176.300 -0.211 0.000 1.112 264 D CA 0.263 54.162 54.000 -0.168 0.000 0.834 264 D CB 0.083 40.827 40.800 -0.092 0.000 0.953 264 D HN 0.572 nan 8.370 nan 0.000 0.505 265 M N 0.667 120.132 119.600 -0.225 0.000 2.537 265 M HA 0.431 4.911 4.480 -0.000 0.000 0.324 265 M C -1.682 174.462 176.300 -0.259 0.000 1.187 265 M CA -0.593 54.644 55.300 -0.105 0.000 0.993 265 M CB 1.842 34.478 32.600 0.060 0.000 1.666 265 M HN -0.183 nan 8.290 nan 0.000 0.461 266 Y N 1.288 121.697 120.300 0.182 0.000 2.446 266 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 266 Y C -0.461 175.601 175.900 0.271 0.000 0.984 266 Y CA -0.717 57.504 58.100 0.201 0.000 1.058 266 Y CB 1.685 40.229 38.460 0.141 0.000 1.220 266 Y HN 0.563 nan 8.280 nan 0.000 0.455 267 Q N 1.587 121.676 119.800 0.483 0.000 2.314 267 Q HA 0.605 4.944 4.340 -0.000 0.000 0.259 267 Q C -0.143 176.160 176.000 0.504 0.000 0.951 267 Q CA -0.305 55.783 55.803 0.476 0.000 0.909 267 Q CB 1.344 30.382 28.738 0.499 0.000 1.236 267 Q HN 0.894 nan 8.270 nan 0.000 0.444 268 G N 2.730 111.800 108.800 0.450 0.000 2.782 268 G HA2 0.505 4.465 3.960 -0.000 0.000 0.201 268 G HA3 0.505 4.465 3.960 -0.000 0.000 0.201 268 G C -0.942 174.146 174.900 0.314 0.000 1.374 268 G CA -0.816 44.575 45.100 0.484 0.000 1.039 268 G HN 0.584 nan 8.290 nan 0.000 0.576 269 L N 1.095 122.470 121.223 0.252 0.000 2.272 269 L HA 0.458 4.798 4.340 -0.000 0.000 0.284 269 L C 1.367 178.289 176.870 0.087 0.000 1.045 269 L CA 0.390 55.247 54.840 0.028 0.000 0.842 269 L CB 0.569 42.637 42.059 0.015 0.000 1.224 269 L HN 1.041 nan 8.230 nan 0.000 0.430 270 G N 2.259 111.080 108.800 0.035 0.000 4.039 270 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G C 0.036 174.991 174.900 0.092 0.000 1.391 270 G CA -0.135 44.982 45.100 0.029 0.000 0.920 270 G HN 0.524 nan 8.290 nan 0.000 0.599 271 W N 2.223 123.659 121.300 0.226 0.000 2.137 271 W HA 0.576 5.236 4.660 -0.000 0.000 0.344 271 W C 0.849 177.518 176.519 0.250 0.000 1.286 271 W CA -0.223 57.250 57.345 0.213 0.000 1.240 271 W CB 0.412 29.969 29.460 0.161 0.000 1.141 271 W HN 0.317 nan 8.180 nan 0.000 0.579 272 E N 1.397 121.952 120.200 0.593 0.000 2.256 272 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 272 E C -0.872 176.025 176.600 0.495 0.000 0.892 272 E CA -1.116 55.594 56.400 0.518 0.000 0.775 272 E CB 1.808 31.807 29.700 0.499 0.000 1.207 272 E HN 0.176 nan 8.360 nan 0.000 0.420 273 M N 1.920 121.765 119.600 0.409 0.000 2.550 273 M HA 0.488 4.968 4.480 -0.000 0.000 0.292 273 M C -1.552 174.974 176.300 0.377 0.000 1.221 273 M CA -0.378 55.105 55.300 0.305 0.000 0.873 273 M CB 1.799 34.511 32.600 0.187 0.000 1.727 273 M HN 0.301 nan 8.290 nan 0.000 0.459 274 L N 0.516 121.927 121.223 0.314 0.000 2.393 274 L HA 0.551 4.891 4.340 -0.000 0.000 0.260 274 L C -0.845 176.199 176.870 0.290 0.000 1.002 274 L CA -0.692 54.334 54.840 0.309 0.000 0.818 274 L CB 2.013 44.161 42.059 0.149 0.000 1.369 274 L HN 0.565 nan 8.230 nan 0.000 0.412 275 D N 0.791 121.354 120.400 0.272 0.000 2.414 275 D HA 0.002 4.642 4.640 -0.000 0.000 0.242 275 D C -0.937 175.504 176.300 0.234 0.000 1.129 275 D CA 0.153 54.276 54.000 0.205 0.000 0.885 275 D CB 1.262 42.151 40.800 0.148 0.000 1.198 275 D HN 0.362 nan 8.370 nan 0.000 0.437 276 W N 4.172 125.526 121.300 0.089 0.000 2.469 276 W HA 0.267 4.927 4.660 -0.000 0.000 0.320 276 W C -2.276 174.291 176.519 0.080 0.000 1.086 276 W CA -1.861 55.554 57.345 0.116 0.000 1.211 276 W CB 1.228 30.775 29.460 0.145 0.000 1.298 276 W HN 0.222 nan 8.180 nan 0.000 0.525 277 P HA 0.090 nan 4.420 nan 0.000 0.271 277 P C -0.934 176.018 177.300 -0.579 0.000 1.218 277 P CA -0.053 62.272 63.100 -1.291 0.000 0.780 277 P CB 2.198 33.348 31.700 -0.917 0.000 0.901 278 V N 2.393 121.976 119.914 -0.552 0.000 2.732 278 V HA 0.290 4.410 4.120 -0.000 0.000 0.310 278 V C 0.111 175.909 176.094 -0.494 0.000 1.053 278 V CA -0.892 61.205 62.300 -0.339 0.000 0.957 278 V CB 1.614 33.285 31.823 -0.252 0.000 1.018 278 V HN 0.673 nan 8.190 nan 0.000 0.452 279 N N 5.729 124.174 118.700 -0.425 0.000 2.406 279 N HA 0.344 5.084 4.740 -0.000 0.000 0.251 279 N C -1.850 173.284 175.510 -0.626 0.000 1.069 279 N CA -1.871 50.907 53.050 -0.452 0.000 0.947 279 N CB 1.582 39.894 38.487 -0.292 0.000 1.111 279 N HN 0.291 nan 8.380 nan 0.000 0.497 280 P HA -0.134 nan 4.420 nan 0.000 0.215 280 P C 0.355 177.306 177.300 -0.582 0.000 1.157 280 P CA 1.412 63.857 63.100 -1.093 0.000 0.874 280 P CB 0.257 31.123 31.700 -1.389 0.000 0.790 281 D N -0.897 119.254 120.400 -0.416 0.000 2.149 281 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 281 D C 2.128 178.293 176.300 -0.225 0.000 1.001 281 D CA 1.661 55.505 54.000 -0.260 0.000 0.849 281 D CB -0.966 39.715 40.800 -0.199 0.000 0.939 281 D HN 0.099 nan 8.370 nan 0.000 0.449 282 S N -0.202 115.349 115.700 -0.249 0.000 2.351 282 S HA -0.147 4.323 4.470 -0.000 0.000 0.220 282 S C 2.037 176.539 174.600 -0.163 0.000 1.035 282 S CA 1.462 59.548 58.200 -0.190 0.000 1.031 282 S CB -0.381 62.701 63.200 -0.195 0.000 0.928 282 S HN 0.433 nan 8.310 nan 0.000 0.433 283 I N -0.882 119.548 120.570 -0.233 0.000 2.439 283 I HA -0.012 4.158 4.170 -0.000 0.000 0.251 283 I C 2.097 178.169 176.117 -0.074 0.000 1.139 283 I CA 1.196 62.417 61.300 -0.132 0.000 1.438 283 I CB -0.560 37.277 38.000 -0.272 0.000 1.085 283 I HN 0.251 nan 8.210 nan 0.000 0.427 284 I N 2.149 122.628 120.570 -0.152 0.000 2.163 284 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 284 I C 2.248 178.318 176.117 -0.079 0.000 1.081 284 I CA 1.458 62.696 61.300 -0.104 0.000 1.353 284 I CB -0.624 37.301 38.000 -0.125 0.000 1.054 284 I HN 0.294 nan 8.210 nan 0.000 0.407 285 N N 1.083 119.729 118.700 -0.089 0.000 2.331 285 N HA -0.077 4.662 4.740 -0.000 0.000 0.180 285 N C 1.868 177.345 175.510 -0.054 0.000 1.019 285 N CA 1.361 54.370 53.050 -0.068 0.000 0.881 285 N CB -0.609 37.834 38.487 -0.072 0.000 0.972 285 N HN 0.405 nan 8.380 nan 0.000 0.435 286 G N 0.548 109.319 108.800 -0.048 0.000 2.509 286 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 286 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 286 G C 1.555 176.443 174.900 -0.019 0.000 1.124 286 G CA 1.094 46.179 45.100 -0.025 0.000 0.776 286 G HN 0.496 nan 8.290 nan 0.000 0.547 287 S N -0.530 115.157 115.700 -0.022 0.000 2.528 287 S HA 0.046 4.516 4.470 -0.000 0.000 0.219 287 S C 0.710 175.267 174.600 -0.072 0.000 0.985 287 S CA -0.100 58.074 58.200 -0.045 0.000 0.914 287 S CB 0.048 63.220 63.200 -0.048 0.000 0.776 287 S HN 0.300 nan 8.310 nan 0.000 0.526 288 D N 1.651 122.015 120.400 -0.059 0.000 2.414 288 D HA 0.103 4.743 4.640 -0.000 0.000 0.242 288 D C 0.461 176.727 176.300 -0.057 0.000 1.129 288 D CA -0.035 53.932 54.000 -0.055 0.000 0.885 288 D CB 0.694 41.468 40.800 -0.042 0.000 1.198 288 D HN 0.028 nan 8.370 nan 0.000 0.437 289 N N 2.919 121.588 118.700 -0.052 0.000 2.137 289 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 289 N C 1.533 177.023 175.510 -0.034 0.000 1.017 289 N CA 0.926 53.947 53.050 -0.048 0.000 0.859 289 N CB -0.203 38.266 38.487 -0.030 0.000 1.002 289 N HN 0.551 nan 8.380 nan 0.000 0.428 290 K N 0.376 120.762 120.400 -0.025 0.000 2.113 290 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 290 K C 1.691 178.279 176.600 -0.020 0.000 1.047 290 K CA 1.142 57.420 56.287 -0.015 0.000 0.928 290 K CB -0.030 32.461 32.500 -0.015 0.000 0.716 290 K HN 0.187 nan 8.250 nan 0.000 0.446 291 I N -0.288 120.262 120.570 -0.032 0.000 2.512 291 I HA -0.045 4.125 4.170 -0.000 0.000 0.247 291 I C 2.355 178.445 176.117 -0.045 0.000 1.094 291 I CA 0.613 61.892 61.300 -0.035 0.000 1.427 291 I CB -0.239 37.739 38.000 -0.037 0.000 1.149 291 I HN 0.121 nan 8.210 nan 0.000 0.438 292 A N 1.029 123.807 122.820 -0.070 0.000 2.024 292 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 292 A C 2.083 179.588 177.584 -0.132 0.000 1.164 292 A CA 1.494 53.458 52.037 -0.123 0.000 0.643 292 A CB -0.695 18.196 19.000 -0.181 0.000 0.806 292 A HN 0.457 nan 8.150 nan 0.000 0.451 293 L N -1.183 119.998 121.223 -0.070 0.000 2.640 293 L HA 0.305 4.645 4.340 -0.000 0.000 0.230 293 L C 1.028 177.917 176.870 0.032 0.000 1.123 293 L CA -0.132 54.705 54.840 -0.005 0.000 0.900 293 L CB -0.166 41.903 42.059 0.015 0.000 1.146 293 L HN 0.339 nan 8.230 nan 0.000 0.484 294 A N 0.803 123.629 122.820 0.010 0.000 2.340 294 A HA 0.690 5.010 4.320 -0.000 0.000 0.268 294 A C 0.468 178.054 177.584 0.004 0.000 1.100 294 A CA -0.209 51.840 52.037 0.020 0.000 0.803 294 A CB 0.520 19.521 19.000 0.001 0.000 1.043 294 A HN 0.201 nan 8.150 nan 0.000 0.488 295 A N 2.216 125.040 122.820 0.006 0.000 2.462 295 A HA 0.574 4.894 4.320 -0.000 0.000 0.243 295 A C 0.479 177.956 177.584 -0.179 0.000 1.076 295 A CA -0.028 51.937 52.037 -0.120 0.000 0.773 295 A CB 0.156 19.020 19.000 -0.228 0.000 1.010 295 A HN 0.805 nan 8.150 nan 0.000 0.493 296 R N 2.053 122.420 120.500 -0.222 0.000 2.651 296 R HA 0.449 4.789 4.340 -0.000 0.000 0.278 296 R C -3.094 173.071 176.300 -0.225 0.000 1.010 296 R CA -1.865 54.127 56.100 -0.180 0.000 0.896 296 R CB 2.314 32.556 30.300 -0.096 0.000 1.211 296 R HN 0.543 nan 8.270 nan 0.000 0.456 297 P HA 0.094 nan 4.420 nan 0.000 0.275 297 P C -0.324 176.920 177.300 -0.093 0.000 1.228 297 P CA -0.295 62.699 63.100 -0.176 0.000 0.786 297 P CB 1.026 32.648 31.700 -0.130 0.000 0.927 298 V N -0.287 119.587 119.914 -0.068 0.000 2.715 298 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 298 V C -0.162 176.051 176.094 0.198 0.000 1.054 298 V CA -1.116 61.223 62.300 0.066 0.000 0.928 298 V CB 1.936 33.756 31.823 -0.004 0.000 1.007 298 V HN 0.478 nan 8.190 nan 0.000 0.437 299 K N 2.917 123.477 120.400 0.267 0.000 2.235 299 K HA 0.776 5.095 4.320 -0.000 0.000 0.266 299 K C 0.004 176.821 176.600 0.363 0.000 0.980 299 K CA -0.367 56.070 56.287 0.250 0.000 0.849 299 K CB 1.586 34.170 32.500 0.141 0.000 1.098 299 K HN 1.182 nan 8.250 nan 0.000 0.445 300 A N 5.198 128.210 122.820 0.320 0.000 2.440 300 A HA 0.265 4.585 4.320 -0.000 0.000 0.251 300 A C -0.096 177.443 177.584 -0.074 0.000 1.089 300 A CA -0.268 51.761 52.037 -0.013 0.000 0.779 300 A CB -0.112 18.864 19.000 -0.040 0.000 1.022 300 A HN 0.812 nan 8.150 nan 0.000 0.492 301 I N 2.914 123.364 120.570 -0.200 0.000 2.307 301 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 301 I C -0.210 175.809 176.117 -0.164 0.000 1.054 301 I CA 0.124 61.356 61.300 -0.113 0.000 1.218 301 I CB 1.103 39.055 38.000 -0.081 0.000 1.398 301 I HN 0.548 nan 8.210 nan 0.000 0.475 302 T N 6.411 120.905 114.554 -0.100 0.000 2.874 302 T HA 0.420 4.770 4.350 -0.000 0.000 0.321 302 T C -1.625 173.039 174.700 -0.060 0.000 1.075 302 T CA -0.966 61.083 62.100 -0.086 0.000 0.966 302 T CB 0.821 69.657 68.868 -0.053 0.000 1.001 302 T HN 0.446 nan 8.240 nan 0.000 0.476 303 P HA 0.539 nan 4.420 nan 0.000 0.284 303 P C -3.062 174.152 177.300 -0.144 0.000 1.292 303 P CA -2.052 60.992 63.100 -0.094 0.000 0.800 303 P CB -0.053 31.605 31.700 -0.070 0.000 1.188 304 P HA 0.115 nan 4.420 nan 0.000 0.268 304 P C -0.397 176.736 177.300 -0.279 0.000 1.205 304 P CA 0.295 63.194 63.100 -0.334 0.000 0.771 304 P CB -0.016 31.328 31.700 -0.594 0.000 0.858 305 T N 5.456 119.845 114.554 -0.275 0.000 2.814 305 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 305 T C -2.110 172.447 174.700 -0.238 0.000 0.956 305 T CA -0.996 60.970 62.100 -0.223 0.000 1.123 305 T CB -0.161 68.570 68.868 -0.229 0.000 0.902 305 T HN 0.278 nan 8.240 nan 0.000 0.528 306 P HA 0.222 nan 4.420 nan 0.000 0.270 306 P C -0.547 176.671 177.300 -0.137 0.000 1.223 306 P CA -0.543 62.470 63.100 -0.144 0.000 0.785 306 P CB 0.311 31.951 31.700 -0.099 0.000 0.923 307 A N 1.981 124.736 122.820 -0.108 0.000 2.572 307 A HA 0.045 4.365 4.320 -0.000 0.000 0.256 307 A C 0.160 177.686 177.584 -0.096 0.000 1.041 307 A CA 0.288 52.268 52.037 -0.094 0.000 0.790 307 A CB -0.919 18.041 19.000 -0.066 0.000 0.947 307 A HN 0.365 nan 8.150 nan 0.000 0.518 308 V N 6.401 126.249 119.914 -0.109 0.000 2.408 308 V HA 0.108 4.228 4.120 -0.000 0.000 0.267 308 V C 1.561 177.616 176.094 -0.066 0.000 1.047 308 V CA -0.386 61.858 62.300 -0.093 0.000 0.937 308 V CB 0.830 32.581 31.823 -0.120 0.000 0.999 308 V HN 1.049 nan 8.190 nan 0.000 0.472 309 R N 3.844 124.315 120.500 -0.049 0.000 2.091 309 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 309 R C 1.298 177.587 176.300 -0.018 0.000 1.136 309 R CA 1.458 57.532 56.100 -0.042 0.000 0.959 309 R CB -0.168 30.110 30.300 -0.037 0.000 0.856 309 R HN 0.713 nan 8.270 nan 0.000 0.437 310 A N 1.929 124.766 122.820 0.029 0.000 3.063 310 A HA 0.263 4.583 4.320 -0.000 0.000 0.263 310 A C -0.448 177.238 177.584 0.170 0.000 1.736 310 A CA 0.025 52.137 52.037 0.126 0.000 1.408 310 A CB 0.019 19.113 19.000 0.157 0.000 1.108 310 A HN 0.061 nan 8.150 nan 0.000 0.621 311 S N 0.445 116.206 115.700 0.102 0.000 2.599 311 S HA 0.571 5.041 4.470 -0.000 0.000 0.287 311 S C -1.036 173.628 174.600 0.107 0.000 1.105 311 S CA -0.585 57.685 58.200 0.116 0.000 0.899 311 S CB 1.292 64.476 63.200 -0.027 0.000 1.100 311 S HN 0.695 nan 8.310 nan 0.000 0.482 312 W N 3.618 124.917 121.300 -0.002 0.000 2.291 312 W HA 0.587 5.247 4.660 -0.000 0.000 0.312 312 W C -1.924 174.432 176.519 -0.271 0.000 1.061 312 W CA -0.522 56.767 57.345 -0.093 0.000 1.296 312 W CB 0.622 30.135 29.460 0.088 0.000 1.223 312 W HN 0.339 nan 8.180 nan 0.000 0.421 313 V N 7.377 126.819 119.914 -0.786 0.000 2.435 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 313 V C -0.101 175.554 176.094 -0.733 0.000 1.030 313 V CA -0.331 61.477 62.300 -0.819 0.000 0.881 313 V CB 1.444 32.299 31.823 -1.613 0.000 0.983 313 V HN 0.684 nan 8.190 nan 0.000 0.445 314 H N 2.308 121.279 119.070 -0.165 0.000 2.967 314 H HA 0.878 5.434 4.556 -0.000 0.000 0.318 314 H C -1.348 174.245 175.328 0.441 0.000 1.375 314 H CA -1.257 54.831 56.048 0.068 0.000 1.132 314 H CB 2.113 31.937 29.762 0.103 0.000 1.848 314 H HN 0.451 nan 8.280 nan 0.000 0.524 315 K N 1.173 121.708 120.400 0.225 0.000 2.570 315 K HA 0.288 4.608 4.320 -0.000 0.000 0.256 315 K C -1.395 175.327 176.600 0.204 0.000 0.939 315 K CA -0.044 56.326 56.287 0.139 0.000 0.833 315 K CB 2.168 34.744 32.500 0.127 0.000 1.318 315 K HN 0.921 nan 8.250 nan 0.000 0.433 316 T N -0.151 114.523 114.554 0.200 0.000 2.934 316 T HA 0.901 5.251 4.350 -0.000 0.000 0.283 316 T C 0.264 175.069 174.700 0.174 0.000 1.005 316 T CA -0.535 61.727 62.100 0.270 0.000 1.041 316 T CB 1.695 70.628 68.868 0.108 0.000 1.042 316 T HN 0.648 nan 8.240 nan 0.000 0.505 317 G N -0.754 108.149 108.800 0.171 0.000 2.720 317 G HA2 0.761 4.721 3.960 -0.000 0.000 0.295 317 G HA3 0.761 4.721 3.960 -0.000 0.000 0.295 317 G C -1.589 173.400 174.900 0.148 0.000 1.437 317 G CA -0.538 44.662 45.100 0.165 0.000 0.886 317 G HN 1.152 nan 8.290 nan 0.000 0.509 318 A N 0.014 122.922 122.820 0.147 0.000 2.606 318 A HA 0.997 5.317 4.320 -0.000 0.000 0.293 318 A C -0.089 177.589 177.584 0.157 0.000 1.082 318 A CA 0.121 52.252 52.037 0.156 0.000 0.685 318 A CB 1.648 20.704 19.000 0.094 0.000 1.284 318 A HN 1.965 nan 8.150 nan 0.000 0.408 319 T N -2.396 112.286 114.554 0.214 0.000 2.831 319 T HA 0.622 4.972 4.350 -0.000 0.000 0.287 319 T C 1.256 176.067 174.700 0.185 0.000 1.070 319 T CA 0.125 62.331 62.100 0.176 0.000 1.010 319 T CB 1.042 70.066 68.868 0.261 0.000 1.264 319 T HN 1.648 nan 8.240 nan 0.000 0.532 320 G N -0.312 108.577 108.800 0.147 0.000 2.450 320 G HA2 0.143 4.103 3.960 -0.000 0.000 0.220 320 G HA3 0.143 4.103 3.960 -0.000 0.000 0.220 320 G C 1.131 176.119 174.900 0.146 0.000 1.130 320 G CA 0.633 45.807 45.100 0.123 0.000 0.760 320 G HN 1.193 nan 8.290 nan 0.000 0.557 321 G N -1.357 107.570 108.800 0.213 0.000 3.324 321 G HA2 0.489 4.449 3.960 -0.000 0.000 0.251 321 G HA3 0.489 4.449 3.960 -0.000 0.000 0.251 321 G C -0.411 174.428 174.900 -0.103 0.000 1.072 321 G CA -0.472 44.661 45.100 0.056 0.000 0.787 321 G HN 0.197 nan 8.290 nan 0.000 0.537 322 F N -0.663 119.419 119.950 0.220 0.000 2.613 322 F HA 0.723 5.250 4.527 -0.000 0.000 0.314 322 F C 0.313 176.252 175.800 0.231 0.000 1.075 322 F CA -1.027 57.141 58.000 0.279 0.000 0.945 322 F CB 2.424 41.610 39.000 0.309 0.000 1.310 322 F HN 0.023 nan 8.300 nan 0.000 0.467 323 G N 0.545 109.620 108.800 0.458 0.000 2.732 323 G HA2 0.572 4.532 3.960 -0.000 0.000 0.295 323 G HA3 0.572 4.532 3.960 -0.000 0.000 0.295 323 G C -1.658 173.409 174.900 0.277 0.000 1.456 323 G CA -0.733 44.519 45.100 0.253 0.000 1.050 323 G HN 0.765 nan 8.290 nan 0.000 0.525 324 S N 0.665 116.496 115.700 0.219 0.000 2.627 324 S HA 0.860 5.330 4.470 -0.000 0.000 0.283 324 S C -1.559 173.224 174.600 0.306 0.000 1.127 324 S CA -0.991 57.359 58.200 0.249 0.000 0.863 324 S CB 2.510 65.854 63.200 0.239 0.000 1.121 324 S HN 1.175 nan 8.310 nan 0.000 0.479 325 Y N 0.023 120.421 120.300 0.164 0.000 2.519 325 Y HA 0.649 5.199 4.550 -0.000 0.000 0.336 325 Y C -1.983 174.061 175.900 0.241 0.000 1.089 325 Y CA -0.956 57.256 58.100 0.187 0.000 1.025 325 Y CB 1.662 40.230 38.460 0.180 0.000 1.318 325 Y HN 0.790 nan 8.280 nan 0.000 0.452 326 V N 4.171 123.887 119.914 -0.330 0.000 2.686 326 V HA 0.970 5.090 4.120 -0.000 0.000 0.306 326 V C -0.942 174.892 176.094 -0.433 0.000 1.065 326 V CA -0.296 61.915 62.300 -0.148 0.000 0.894 326 V CB 1.526 33.527 31.823 0.297 0.000 1.004 326 V HN 1.022 nan 8.190 nan 0.000 0.424 327 A N 4.683 127.281 122.820 -0.371 0.000 2.520 327 A HA 1.029 5.349 4.320 -0.000 0.000 0.298 327 A C -1.314 175.963 177.584 -0.512 0.000 1.051 327 A CA -0.507 51.154 52.037 -0.627 0.000 0.690 327 A CB 1.757 20.275 19.000 -0.804 0.000 1.281 327 A HN 1.464 nan 8.150 nan 0.000 0.402 328 F N -0.680 118.796 119.950 -0.790 0.000 2.668 328 F HA 0.833 5.360 4.527 -0.000 0.000 0.309 328 F C -1.407 174.020 175.800 -0.622 0.000 1.117 328 F CA -1.233 56.387 58.000 -0.633 0.000 0.951 328 F CB 1.291 39.990 39.000 -0.502 0.000 1.323 328 F HN 0.306 nan 8.300 nan 0.000 0.451 329 I N 2.396 122.764 120.570 -0.337 0.000 2.466 329 I HA 0.334 4.503 4.170 -0.000 0.000 0.279 329 I C -2.143 173.859 176.117 -0.191 0.000 1.033 329 I CA -1.869 59.207 61.300 -0.374 0.000 1.123 329 I CB 1.908 39.544 38.000 -0.606 0.000 1.237 329 I HN 0.382 nan 8.210 nan 0.000 0.460 330 P HA -0.230 nan 4.420 nan 0.000 0.215 330 P C 1.431 178.668 177.300 -0.105 0.000 1.157 330 P CA 1.223 64.283 63.100 -0.067 0.000 0.874 330 P CB 0.273 31.945 31.700 -0.045 0.000 0.790 331 E N -0.107 120.031 120.200 -0.104 0.000 2.209 331 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 331 E C 1.038 177.574 176.600 -0.106 0.000 0.993 331 E CA 1.073 57.425 56.400 -0.080 0.000 0.819 331 E CB -0.098 29.584 29.700 -0.029 0.000 0.745 331 E HN 0.090 nan 8.360 nan 0.000 0.477 332 K N 0.299 120.598 120.400 -0.169 0.000 2.358 332 K HA 0.058 4.378 4.320 -0.000 0.000 0.197 332 K C -0.154 176.336 176.600 -0.182 0.000 1.025 332 K CA 0.151 56.331 56.287 -0.177 0.000 1.104 332 K CB 0.600 32.953 32.500 -0.245 0.000 0.855 332 K HN 0.153 nan 8.250 nan 0.000 0.531 333 E N 0.753 120.853 120.200 -0.167 0.000 2.360 333 E HA -0.235 4.115 4.350 -0.000 0.000 0.238 333 E C -0.624 175.877 176.600 -0.166 0.000 1.186 333 E CA 0.396 56.696 56.400 -0.166 0.000 0.719 333 E CB -1.629 27.971 29.700 -0.168 0.000 1.236 333 E HN 0.081 nan 8.360 nan 0.000 0.386 334 L N -0.448 120.681 121.223 -0.156 0.000 2.381 334 L HA 0.798 5.138 4.340 -0.000 0.000 0.268 334 L C 0.101 176.906 176.870 -0.107 0.000 0.997 334 L CA 0.246 55.017 54.840 -0.115 0.000 0.818 334 L CB 2.141 44.117 42.059 -0.138 0.000 1.310 334 L HN 0.084 nan 8.230 nan 0.000 0.416 335 G N 3.898 112.664 108.800 -0.056 0.000 2.623 335 G HA2 0.603 4.563 3.960 -0.000 0.000 0.290 335 G HA3 0.603 4.563 3.960 -0.000 0.000 0.290 335 G C -2.249 172.650 174.900 -0.003 0.000 1.437 335 G CA -0.442 44.626 45.100 -0.055 0.000 0.798 335 G HN 0.801 nan 8.290 nan 0.000 0.488 336 I N -0.228 120.344 120.570 0.004 0.000 2.827 336 I HA 0.680 4.850 4.170 -0.000 0.000 0.298 336 I C -1.383 174.793 176.117 0.099 0.000 1.235 336 I CA -0.997 60.351 61.300 0.081 0.000 1.021 336 I CB 2.296 40.367 38.000 0.119 0.000 1.259 336 I HN 0.392 nan 8.210 nan 0.000 0.427 337 V N 7.335 127.345 119.914 0.160 0.000 2.588 337 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 337 V C -0.508 175.716 176.094 0.217 0.000 1.042 337 V CA -0.433 61.977 62.300 0.184 0.000 0.877 337 V CB 1.874 33.820 31.823 0.204 0.000 0.996 337 V HN 0.653 nan 8.190 nan 0.000 0.425 338 M N 6.200 125.938 119.600 0.229 0.000 2.142 338 M HA 0.618 5.098 4.480 -0.000 0.000 0.299 338 M C -1.366 175.030 176.300 0.160 0.000 0.960 338 M CA -0.152 55.284 55.300 0.227 0.000 0.920 338 M CB 1.944 34.725 32.600 0.302 0.000 1.541 338 M HN 0.373 nan 8.290 nan 0.000 0.429 339 L N 2.836 124.056 121.223 -0.004 0.000 2.356 339 L HA 0.993 5.333 4.340 -0.000 0.000 0.277 339 L C -0.504 176.232 176.870 -0.224 0.000 0.996 339 L CA -0.732 53.959 54.840 -0.247 0.000 0.822 339 L CB 1.861 43.409 42.059 -0.852 0.000 1.256 339 L HN 0.802 nan 8.230 nan 0.000 0.413 340 A N 1.926 124.873 122.820 0.210 0.000 2.475 340 A HA 0.613 4.933 4.320 -0.000 0.000 0.301 340 A C -0.548 177.421 177.584 0.640 0.000 1.059 340 A CA -0.751 51.547 52.037 0.435 0.000 0.710 340 A CB 1.342 20.577 19.000 0.391 0.000 1.288 340 A HN 0.754 nan 8.150 nan 0.000 0.408 341 N N 1.238 120.243 118.700 0.509 0.000 2.758 341 N HA 0.218 4.958 4.740 -0.000 0.000 0.293 341 N C -0.561 174.931 175.510 -0.030 0.000 1.273 341 N CA -0.153 52.880 53.050 -0.029 0.000 1.022 341 N CB 0.233 38.683 38.487 -0.061 0.000 1.334 341 N HN 0.609 nan 8.380 nan 0.000 0.519 342 K N 0.244 120.723 120.400 0.132 0.000 2.570 342 K HA 0.193 4.513 4.320 -0.000 0.000 0.256 342 K C -1.785 175.000 176.600 0.308 0.000 0.939 342 K CA -0.649 55.744 56.287 0.177 0.000 0.833 342 K CB 1.194 33.795 32.500 0.168 0.000 1.318 342 K HN 0.021 nan 8.250 nan 0.000 0.433 343 N N 3.743 122.584 118.700 0.235 0.000 2.411 343 N HA 0.167 4.907 4.740 -0.000 0.000 0.259 343 N C -1.465 174.190 175.510 0.243 0.000 1.103 343 N CA 0.171 53.347 53.050 0.211 0.000 0.954 343 N CB 0.181 38.753 38.487 0.142 0.000 1.085 343 N HN 0.476 nan 8.380 nan 0.000 0.485 344 Y N 1.298 121.641 120.300 0.072 0.000 2.602 344 Y HA 0.736 5.286 4.550 -0.000 0.000 0.342 344 Y C -2.709 173.211 175.900 0.034 0.000 1.029 344 Y CA -3.207 54.920 58.100 0.044 0.000 1.080 344 Y CB -0.457 38.024 38.460 0.034 0.000 1.284 344 Y HN 0.339 nan 8.280 nan 0.000 0.485 345 P HA 0.040 nan 4.420 nan 0.000 0.262 345 P C 0.152 177.349 177.300 -0.172 0.000 1.182 345 P CA 0.352 63.425 63.100 -0.046 0.000 0.761 345 P CB 0.727 32.445 31.700 0.030 0.000 0.795 346 N N 4.544 123.139 118.700 -0.175 0.000 2.104 346 N HA -0.133 4.606 4.740 -0.000 0.000 0.190 346 N C -0.860 174.547 175.510 -0.171 0.000 1.024 346 N CA 1.770 54.695 53.050 -0.209 0.000 0.853 346 N CB -1.804 36.589 38.487 -0.156 0.000 1.008 346 N HN 0.445 nan 8.380 nan 0.000 0.424 347 P HA -0.076 nan 4.420 nan 0.000 0.217 347 P C 1.018 178.300 177.300 -0.030 0.000 1.148 347 P CA 1.474 64.535 63.100 -0.065 0.000 0.828 347 P CB -0.044 31.632 31.700 -0.041 0.000 0.783 348 A N -0.097 122.732 122.820 0.015 0.000 1.930 348 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 348 A C 2.197 179.855 177.584 0.122 0.000 1.175 348 A CA 1.337 53.435 52.037 0.101 0.000 0.627 348 A CB -0.891 18.242 19.000 0.222 0.000 0.815 348 A HN 0.106 nan 8.150 nan 0.000 0.443 349 R N -0.572 119.951 120.500 0.038 0.000 2.070 349 R HA -0.075 4.264 4.340 -0.000 0.000 0.233 349 R C 2.005 178.237 176.300 -0.113 0.000 1.137 349 R CA 1.546 57.643 56.100 -0.004 0.000 0.945 349 R CB -0.754 29.406 30.300 -0.234 0.000 0.845 349 R HN 0.369 nan 8.270 nan 0.000 0.430 350 V N 1.779 121.517 119.914 -0.292 0.000 2.358 350 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 350 V C 2.001 178.179 176.094 0.139 0.000 1.047 350 V CA 2.175 64.363 62.300 -0.187 0.000 1.035 350 V CB -0.626 31.105 31.823 -0.154 0.000 0.658 350 V HN 0.362 nan 8.190 nan 0.000 0.452 351 D N 0.597 121.055 120.400 0.096 0.000 2.117 351 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 351 D C 2.079 178.525 176.300 0.242 0.000 0.987 351 D CA 1.591 55.694 54.000 0.172 0.000 0.829 351 D CB -0.146 40.712 40.800 0.097 0.000 0.961 351 D HN 0.364 nan 8.370 nan 0.000 0.460 352 A N 0.422 123.352 122.820 0.184 0.000 1.898 352 A HA 0.085 4.405 4.320 -0.000 0.000 0.216 352 A C 2.407 180.132 177.584 0.235 0.000 1.181 352 A CA 2.012 54.152 52.037 0.170 0.000 0.620 352 A CB -1.113 17.964 19.000 0.128 0.000 0.819 352 A HN 0.362 nan 8.150 nan 0.000 0.442 353 A N -1.059 121.968 122.820 0.344 0.000 1.902 353 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 353 A C 2.108 180.010 177.584 0.531 0.000 1.181 353 A CA 1.370 53.693 52.037 0.475 0.000 0.623 353 A CB -0.912 18.555 19.000 0.779 0.000 0.818 353 A HN 0.895 nan 8.150 nan 0.000 0.443 354 W N 0.886 122.420 121.300 0.390 0.000 2.358 354 W HA -0.195 4.465 4.660 -0.000 0.000 0.303 354 W C 1.875 178.529 176.519 0.224 0.000 1.208 354 W CA 1.947 59.472 57.345 0.300 0.000 1.274 354 W CB -0.339 29.161 29.460 0.066 0.000 1.138 354 W HN 0.458 nan 8.180 nan 0.000 0.515 355 Q N 0.600 120.417 119.800 0.029 0.000 2.096 355 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 355 Q C 2.295 178.213 176.000 -0.136 0.000 0.982 355 Q CA 2.184 57.923 55.803 -0.106 0.000 0.850 355 Q CB -0.669 28.097 28.738 0.046 0.000 0.901 355 Q HN 0.469 nan 8.270 nan 0.000 0.422 356 I N 0.542 121.097 120.570 -0.026 0.000 2.163 356 I HA -0.264 3.905 4.170 -0.000 0.000 0.240 356 I C 2.338 178.432 176.117 -0.039 0.000 1.081 356 I CA 0.984 62.272 61.300 -0.020 0.000 1.353 356 I CB -0.289 37.732 38.000 0.034 0.000 1.054 356 I HN 0.124 nan 8.210 nan 0.000 0.407 357 L N 0.293 121.518 121.223 0.004 0.000 2.141 357 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 357 L C 2.339 179.147 176.870 -0.104 0.000 1.094 357 L CA 1.248 56.086 54.840 -0.004 0.000 0.763 357 L CB -0.831 41.281 42.059 0.088 0.000 0.908 357 L HN 0.426 nan 8.230 nan 0.000 0.437 358 N N 0.527 119.014 118.700 -0.355 0.000 2.188 358 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 358 N C 1.887 177.280 175.510 -0.195 0.000 1.018 358 N CA 1.093 53.865 53.050 -0.463 0.000 0.858 358 N CB 0.197 37.933 38.487 -1.250 0.000 0.989 358 N HN 0.302 nan 8.380 nan 0.000 0.426 359 A N 1.155 123.872 122.820 -0.172 0.000 1.930 359 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 359 A C 2.070 179.637 177.584 -0.027 0.000 1.175 359 A CA 0.712 52.700 52.037 -0.081 0.000 0.627 359 A CB -0.393 18.561 19.000 -0.077 0.000 0.815 359 A HN 0.310 nan 8.150 nan 0.000 0.443 360 L N -0.946 120.271 121.223 -0.009 0.000 2.554 360 L HA -0.010 4.330 4.340 -0.000 0.000 0.226 360 L C 0.774 177.724 176.870 0.133 0.000 1.137 360 L CA -0.388 54.495 54.840 0.073 0.000 0.863 360 L CB -0.432 41.694 42.059 0.112 0.000 0.985 360 L HN 0.339 nan 8.230 nan 0.000 0.451 361 Q N 0.000 119.845 119.800 0.074 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.864 55.803 0.102 0.000 1.022 361 Q CB 0.000 28.812 28.738 0.123 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481