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 1ga9_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYXXXAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE RXXXAVHVSP 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 0.000 177.437 177.584 -0.245 0.000 1.274 4 A CA 0.000 51.922 52.037 -0.191 0.000 0.836 4 A CB 0.000 18.910 19.000 -0.150 0.000 0.831 5 P HA 0.059 nan 4.420 nan 0.000 0.269 5 P C 1.276 178.462 177.300 -0.190 0.000 1.205 5 P CA 0.094 63.038 63.100 -0.260 0.000 0.780 5 P CB 0.558 32.040 31.700 -0.363 0.000 0.858 6 Q N 1.150 120.876 119.800 -0.123 0.000 2.135 6 Q HA -0.306 4.034 4.340 -0.000 0.000 0.204 6 Q C 2.098 178.047 176.000 -0.084 0.000 0.981 6 Q CA 2.303 58.059 55.803 -0.078 0.000 0.856 6 Q CB -0.874 27.831 28.738 -0.054 0.000 0.902 6 Q HN 0.477 nan 8.270 nan 0.000 0.425 7 Q N 1.579 121.300 119.800 -0.132 0.000 1.985 7 Q HA -0.177 4.163 4.340 -0.000 0.000 0.207 7 Q C 2.072 177.987 176.000 -0.142 0.000 0.996 7 Q CA 2.168 57.886 55.803 -0.141 0.000 0.851 7 Q CB -1.234 27.380 28.738 -0.207 0.000 0.921 7 Q HN 0.657 nan 8.270 nan 0.000 0.418 8 I N 0.701 121.126 120.570 -0.241 0.000 2.163 8 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 8 I C 2.514 178.656 176.117 0.042 0.000 1.085 8 I CA 1.501 62.705 61.300 -0.159 0.000 1.347 8 I CB -0.429 37.383 38.000 -0.312 0.000 1.044 8 I HN 0.475 nan 8.210 nan 0.000 0.408 9 N N 0.739 119.491 118.700 0.086 0.000 2.069 9 N HA -0.236 4.504 4.740 -0.000 0.000 0.191 9 N C 1.627 177.244 175.510 0.179 0.000 1.031 9 N CA 1.640 54.831 53.050 0.235 0.000 0.852 9 N CB -0.424 38.130 38.487 0.111 0.000 1.018 9 N HN 0.394 nan 8.380 nan 0.000 0.423 10 D N 0.978 121.430 120.400 0.087 0.000 2.087 10 D HA -0.148 4.492 4.640 -0.000 0.000 0.192 10 D C 2.046 178.404 176.300 0.097 0.000 0.993 10 D CA 0.595 54.654 54.000 0.098 0.000 0.828 10 D CB -0.137 40.689 40.800 0.042 0.000 0.968 10 D HN 0.059 nan 8.370 nan 0.000 0.448 11 I N 0.988 121.580 120.570 0.036 0.000 2.163 11 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 11 I C 2.618 178.736 176.117 0.002 0.000 1.085 11 I CA 0.697 62.003 61.300 0.011 0.000 1.347 11 I CB -0.908 37.081 38.000 -0.018 0.000 1.044 11 I HN -0.040 nan 8.210 nan 0.000 0.408 12 V N 0.208 120.106 119.914 -0.026 0.000 2.261 12 V HA -0.327 3.792 4.120 -0.000 0.000 0.246 12 V C 2.528 178.641 176.094 0.032 0.000 1.047 12 V CA 2.243 64.477 62.300 -0.111 0.000 1.015 12 V CB -1.069 30.446 31.823 -0.513 0.000 0.642 12 V HN 0.470 nan 8.190 nan 0.000 0.446 13 H N 0.861 119.975 119.070 0.075 0.000 2.289 13 H HA -0.179 4.377 4.556 -0.000 0.000 0.294 13 H C 2.413 177.778 175.328 0.061 0.000 1.095 13 H CA 2.104 58.246 56.048 0.157 0.000 1.256 13 H CB -0.089 29.779 29.762 0.177 0.000 1.359 13 H HN 0.112 nan 8.280 nan 0.000 0.487 14 R N -0.479 120.011 120.500 -0.016 0.000 2.120 14 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 14 R C 2.266 178.504 176.300 -0.104 0.000 1.123 14 R CA 1.552 57.597 56.100 -0.091 0.000 0.975 14 R CB -0.950 29.346 30.300 -0.007 0.000 0.866 14 R HN 0.469 nan 8.270 nan 0.000 0.446 15 T N 0.937 115.444 114.554 -0.078 0.000 2.837 15 T HA 0.123 4.473 4.350 -0.000 0.000 0.248 15 T C 2.114 176.731 174.700 -0.138 0.000 1.033 15 T CA 0.700 62.753 62.100 -0.077 0.000 1.150 15 T CB -0.093 68.753 68.868 -0.035 0.000 0.865 15 T HN 0.063 nan 8.240 nan 0.000 0.425 16 I N 1.895 122.344 120.570 -0.203 0.000 2.353 16 I HA -0.042 4.128 4.170 -0.000 0.000 0.248 16 I C 3.209 179.025 176.117 -0.503 0.000 1.119 16 I CA 1.463 62.544 61.300 -0.364 0.000 1.417 16 I CB -0.991 36.692 38.000 -0.527 0.000 1.078 16 I HN 0.398 nan 8.210 nan 0.000 0.421 17 T N 1.709 115.991 114.554 -0.454 0.000 2.624 17 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 17 T C 0.072 174.594 174.700 -0.298 0.000 1.041 17 T CA 2.047 63.904 62.100 -0.404 0.000 1.159 17 T CB -1.825 66.844 68.868 -0.330 0.000 0.863 17 T HN 0.161 nan 8.240 nan 0.000 0.434 18 P HA 0.103 nan 4.420 nan 0.000 0.217 18 P C 2.025 179.226 177.300 -0.166 0.000 1.150 18 P CA 1.635 64.638 63.100 -0.161 0.000 0.832 18 P CB -0.389 31.237 31.700 -0.123 0.000 0.787 19 L N -0.198 120.905 121.223 -0.199 0.000 1.989 19 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 19 L C 2.502 179.213 176.870 -0.265 0.000 1.071 19 L CA 2.279 56.998 54.840 -0.202 0.000 0.749 19 L CB -2.335 39.603 42.059 -0.202 0.000 0.890 19 L HN -0.074 nan 8.230 nan 0.000 0.431 20 I N -0.779 119.589 120.570 -0.336 0.000 2.335 20 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 20 I C 2.738 178.734 176.117 -0.202 0.000 1.129 20 I CA 1.425 62.538 61.300 -0.312 0.000 1.402 20 I CB -0.472 37.313 38.000 -0.358 0.000 1.069 20 I HN 0.537 nan 8.210 nan 0.000 0.424 21 E N 0.834 120.931 120.200 -0.172 0.000 2.076 21 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 21 E C 2.148 178.694 176.600 -0.090 0.000 0.979 21 E CA 1.015 57.351 56.400 -0.108 0.000 0.807 21 E CB -0.206 29.439 29.700 -0.092 0.000 0.761 21 E HN 0.644 nan 8.360 nan 0.000 0.454 22 Q N 0.077 119.818 119.800 -0.099 0.000 2.311 22 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 22 Q C 1.857 177.821 176.000 -0.061 0.000 0.954 22 Q CA 0.691 56.454 55.803 -0.068 0.000 0.885 22 Q CB 0.200 28.904 28.738 -0.057 0.000 0.963 22 Q HN 0.128 nan 8.270 nan 0.000 0.471 23 Q N -0.267 119.472 119.800 -0.102 0.000 2.392 23 Q HA 0.069 4.409 4.340 -0.000 0.000 0.219 23 Q C 0.321 176.277 176.000 -0.073 0.000 0.895 23 Q CA 1.131 56.883 55.803 -0.084 0.000 0.929 23 Q CB 0.869 29.499 28.738 -0.180 0.000 1.077 23 Q HN 0.330 nan 8.270 nan 0.000 0.532 24 K N -0.545 119.797 120.400 -0.096 0.000 3.315 24 K HA -0.100 4.220 4.320 -0.000 0.000 0.270 24 K C -0.178 176.387 176.600 -0.059 0.000 1.139 24 K CA 0.715 56.964 56.287 -0.064 0.000 0.806 24 K CB -3.083 29.398 32.500 -0.032 0.000 1.300 24 K HN 0.415 nan 8.250 nan 0.000 0.475 25 I N 0.019 120.531 120.570 -0.097 0.000 2.352 25 I HA 0.667 4.837 4.170 -0.000 0.000 0.290 25 I C -0.077 176.053 176.117 0.022 0.000 1.036 25 I CA -1.769 59.504 61.300 -0.046 0.000 1.336 25 I CB 0.579 38.503 38.000 -0.127 0.000 1.407 25 I HN 0.327 nan 8.210 nan 0.000 0.497 26 P HA 0.019 nan 4.420 nan 0.000 0.215 26 P C 0.892 178.307 177.300 0.191 0.000 1.157 26 P CA 1.862 65.004 63.100 0.070 0.000 0.874 26 P CB 0.225 31.887 31.700 -0.062 0.000 0.790 27 G N -1.950 107.004 108.800 0.256 0.000 2.619 27 G HA2 0.715 4.675 3.960 -0.000 0.000 0.296 27 G HA3 0.715 4.675 3.960 -0.000 0.000 0.296 27 G C -1.766 173.379 174.900 0.409 0.000 1.334 27 G CA -0.409 44.899 45.100 0.345 0.000 0.934 27 G HN 0.064 nan 8.290 nan 0.000 0.476 28 M N 0.438 120.330 119.600 0.487 0.000 2.534 28 M HA 0.694 5.174 4.480 -0.000 0.000 0.280 28 M C -1.783 174.874 176.300 0.596 0.000 1.217 28 M CA -0.621 54.964 55.300 0.476 0.000 0.893 28 M CB 2.269 35.056 32.600 0.312 0.000 1.730 28 M HN 1.166 nan 8.290 nan 0.000 0.483 29 A N 2.713 125.777 122.820 0.408 0.000 2.455 29 A HA 0.852 5.172 4.320 -0.000 0.000 0.300 29 A C -1.928 175.890 177.584 0.391 0.000 1.040 29 A CA -0.597 51.678 52.037 0.396 0.000 0.697 29 A CB 1.922 21.089 19.000 0.279 0.000 1.265 29 A HN 0.646 nan 8.150 nan 0.000 0.407 30 V N 0.643 120.873 119.914 0.527 0.000 2.841 30 V HA 0.842 4.962 4.120 -0.000 0.000 0.310 30 V C 0.093 176.504 176.094 0.527 0.000 1.090 30 V CA -0.197 62.390 62.300 0.478 0.000 0.930 30 V CB 1.926 34.044 31.823 0.491 0.000 1.014 30 V HN 1.569 nan 8.190 nan 0.000 0.425 31 A N 3.284 126.348 122.820 0.405 0.000 2.365 31 A HA 0.914 5.234 4.320 -0.000 0.000 0.318 31 A C -1.248 176.499 177.584 0.271 0.000 1.091 31 A CA -0.613 51.653 52.037 0.381 0.000 0.763 31 A CB 1.965 21.191 19.000 0.378 0.000 1.248 31 A HN 0.732 nan 8.150 nan 0.000 0.442 32 V N 3.506 123.584 119.914 0.273 0.000 2.409 32 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 32 V C -1.023 175.212 176.094 0.234 0.000 1.017 32 V CA -0.218 62.229 62.300 0.245 0.000 0.841 32 V CB 1.180 33.177 31.823 0.290 0.000 1.003 32 V HN 0.727 nan 8.190 nan 0.000 0.426 33 I N 5.872 126.523 120.570 0.134 0.000 2.322 33 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 33 I C -0.460 175.755 176.117 0.163 0.000 1.060 33 I CA -0.095 61.257 61.300 0.086 0.000 1.309 33 I CB 0.210 38.197 38.000 -0.022 0.000 1.415 33 I HN 0.554 nan 8.210 nan 0.000 0.492 34 Y N 5.733 126.127 120.300 0.157 0.000 2.334 34 Y HA 0.337 4.887 4.550 0.000 0.000 0.336 34 Y C 0.488 176.447 175.900 0.097 0.000 0.960 34 Y CA -0.743 57.438 58.100 0.135 0.000 1.164 34 Y CB 0.753 39.323 38.460 0.182 0.000 1.155 34 Y HN 0.660 nan 8.280 nan 0.000 0.478 35 Q N 4.615 124.143 119.800 -0.454 0.000 2.453 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.294 35 Q C 1.109 177.028 176.000 -0.135 0.000 1.295 35 Q CA 1.083 56.690 55.803 -0.328 0.000 0.853 35 Q CB -1.552 26.982 28.738 -0.341 0.000 1.193 35 Q HN 1.331 nan 8.270 nan 0.000 0.461 36 G N -2.720 106.008 108.800 -0.119 0.000 2.234 36 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 36 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 36 G C 0.176 175.030 174.900 -0.076 0.000 0.987 36 G CA 0.850 45.892 45.100 -0.098 0.000 0.625 36 G HN 0.820 nan 8.290 nan 0.000 0.532 37 K N 1.453 121.826 120.400 -0.044 0.000 2.164 37 K HA 0.876 5.196 4.320 -0.000 0.000 0.258 37 K C -2.562 173.865 176.600 -0.289 0.000 0.951 37 K CA -1.350 54.854 56.287 -0.139 0.000 0.844 37 K CB 1.880 34.313 32.500 -0.112 0.000 1.099 37 K HN 0.298 nan 8.250 nan 0.000 0.435 38 P HA 0.495 nan 4.420 nan 0.000 0.287 38 P C -1.427 175.143 177.300 -1.216 0.000 1.270 38 P CA -0.458 62.250 63.100 -0.653 0.000 0.844 38 P CB 0.650 32.034 31.700 -0.526 0.000 1.068 39 Y N 0.613 120.617 120.300 -0.493 0.000 2.331 39 Y HA 0.393 4.943 4.550 -0.000 0.000 0.326 39 Y C -0.145 175.500 175.900 -0.426 0.000 1.020 39 Y CA -0.508 57.341 58.100 -0.417 0.000 1.136 39 Y CB 1.497 39.904 38.460 -0.087 0.000 1.157 39 Y HN 0.267 nan 8.280 nan 0.000 0.444 40 Y N 2.790 123.020 120.300 -0.117 0.000 2.387 40 Y HA 0.727 5.277 4.550 -0.000 0.000 0.330 40 Y C -0.839 174.819 175.900 -0.404 0.000 1.133 40 Y CA -1.166 56.907 58.100 -0.046 0.000 1.152 40 Y CB 1.293 39.738 38.460 -0.025 0.000 1.215 40 Y HN 0.343 nan 8.280 nan 0.000 0.466 41 F N 0.041 120.047 119.950 0.093 0.000 2.581 41 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 41 F C -0.334 175.190 175.800 -0.459 0.000 1.113 41 F CA -1.160 56.660 58.000 -0.300 0.000 0.935 41 F CB 2.188 40.993 39.000 -0.326 0.000 1.232 41 F HN 0.391 nan 8.300 nan 0.000 0.445 42 T N -0.851 113.372 114.554 -0.551 0.000 2.912 42 T HA 0.697 5.047 4.350 -0.000 0.000 0.299 42 T C -1.390 173.050 174.700 -0.434 0.000 1.052 42 T CA -0.589 61.365 62.100 -0.243 0.000 0.996 42 T CB 1.744 70.613 68.868 0.001 0.000 1.070 42 T HN 0.616 nan 8.240 nan 0.000 0.465 43 W N 0.321 121.713 121.300 0.153 0.000 3.060 43 W HA 0.576 5.236 4.660 -0.000 0.000 0.346 43 W C 1.009 177.557 176.519 0.048 0.000 1.194 43 W CA -0.223 57.172 57.345 0.083 0.000 1.105 43 W CB 1.050 30.561 29.460 0.084 0.000 1.487 43 W HN 1.339 nan 8.180 nan 0.000 0.592 44 G N 0.474 109.402 108.800 0.213 0.000 2.625 44 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.311 44 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.311 44 G C -1.115 173.752 174.900 -0.056 0.000 1.324 44 G CA 0.256 45.377 45.100 0.036 0.000 0.918 44 G HN 0.426 nan 8.290 nan 0.000 0.556 50 K N 1.191 121.537 120.400 -0.091 0.000 2.525 50 K HA 0.277 4.597 4.320 -0.000 0.000 0.192 50 K C 0.754 177.329 176.600 -0.042 0.000 1.029 50 K CA 1.141 57.402 56.287 -0.043 0.000 1.029 50 K CB -1.086 31.420 32.500 0.011 0.000 0.814 50 K HN 0.623 nan 8.250 nan 0.000 0.503 51 K N -0.351 119.962 120.400 -0.146 0.000 3.156 51 K HA -0.187 4.133 4.320 -0.000 0.000 0.266 51 K C 0.217 176.917 176.600 0.167 0.000 0.966 51 K CA 0.737 56.923 56.287 -0.168 0.000 0.719 51 K CB -2.429 30.006 32.500 -0.108 0.000 1.333 51 K HN 0.828 nan 8.250 nan 0.000 0.468 52 Q N 0.407 120.321 119.800 0.189 0.000 2.294 52 Q HA 0.362 4.702 4.340 -0.000 0.000 0.257 52 Q C -2.557 173.623 176.000 0.299 0.000 0.955 52 Q CA -1.902 54.027 55.803 0.211 0.000 0.936 52 Q CB 0.049 28.879 28.738 0.154 0.000 1.188 52 Q HN 0.015 nan 8.270 nan 0.000 0.420 53 P HA 0.337 nan 4.420 nan 0.000 0.271 53 P C -0.101 177.275 177.300 0.127 0.000 1.226 53 P CA -0.071 63.110 63.100 0.135 0.000 0.765 53 P CB 0.766 32.500 31.700 0.057 0.000 0.835 54 V N 4.504 124.511 119.914 0.155 0.000 2.486 54 V HA 0.012 4.132 4.120 -0.000 0.000 0.290 54 V C 0.868 177.049 176.094 0.144 0.000 0.991 54 V CA 0.946 63.361 62.300 0.191 0.000 1.142 54 V CB -0.963 31.052 31.823 0.319 0.000 0.926 54 V HN 0.477 nan 8.190 nan 0.000 0.472 55 T N 3.934 118.554 114.554 0.110 0.000 2.910 55 T HA 0.597 4.947 4.350 -0.000 0.000 0.279 55 T C 1.196 175.940 174.700 0.073 0.000 0.989 55 T CA 0.525 62.660 62.100 0.060 0.000 0.968 55 T CB 1.297 70.177 68.868 0.019 0.000 1.135 55 T HN 1.084 nan 8.240 nan 0.000 0.562 56 Q N -0.864 118.932 119.800 -0.005 0.000 2.253 56 Q HA 0.447 4.787 4.340 -0.000 0.000 0.210 56 Q C 1.280 177.231 176.000 -0.081 0.000 0.907 56 Q CA 0.615 56.381 55.803 -0.063 0.000 0.948 56 Q CB -1.041 27.582 28.738 -0.192 0.000 1.033 56 Q HN 0.830 nan 8.270 nan 0.000 0.471 57 Q N -1.339 118.437 119.800 -0.040 0.000 2.113 57 Q HA 0.247 4.587 4.340 -0.000 0.000 0.225 57 Q C 0.946 176.923 176.000 -0.037 0.000 0.786 57 Q CA 0.536 56.279 55.803 -0.101 0.000 0.989 57 Q CB -0.271 28.375 28.738 -0.153 0.000 1.174 57 Q HN 0.522 nan 8.270 nan 0.000 0.470 58 T N 1.945 116.516 114.554 0.028 0.000 2.916 58 T HA 0.518 4.868 4.350 -0.000 0.000 0.303 58 T C 0.229 174.895 174.700 -0.056 0.000 1.025 58 T CA -0.016 62.061 62.100 -0.037 0.000 1.142 58 T CB 0.324 69.144 68.868 -0.080 0.000 0.947 58 T HN 0.453 nan 8.240 nan 0.000 0.544 59 L N 3.878 125.033 121.223 -0.114 0.000 2.275 59 L HA 0.528 4.868 4.340 -0.000 0.000 0.288 59 L C -0.670 176.141 176.870 -0.098 0.000 1.046 59 L CA -0.666 54.156 54.840 -0.029 0.000 0.805 59 L CB 0.496 42.516 42.059 -0.065 0.000 1.193 59 L HN 0.549 nan 8.230 nan 0.000 0.426 60 F N 0.463 120.468 119.950 0.090 0.000 2.556 60 F HA 0.397 4.924 4.527 -0.000 0.000 0.327 60 F C 0.418 176.002 175.800 -0.360 0.000 1.059 60 F CA -1.038 56.973 58.000 0.018 0.000 0.953 60 F CB 1.156 40.316 39.000 0.265 0.000 1.227 60 F HN 0.364 nan 8.300 nan 0.000 0.478 61 E N 2.181 121.870 120.200 -0.851 0.000 2.223 61 E HA 0.205 4.555 4.350 -0.000 0.000 0.282 61 E C 0.439 176.913 176.600 -0.209 0.000 1.046 61 E CA -0.113 55.947 56.400 -0.566 0.000 0.857 61 E CB 1.059 30.310 29.700 -0.749 0.000 1.055 61 E HN 0.617 nan 8.360 nan 0.000 0.409 62 L N 2.726 123.929 121.223 -0.034 0.000 2.313 62 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 62 L C 1.410 178.366 176.870 0.143 0.000 1.119 62 L CA 0.678 55.574 54.840 0.094 0.000 0.809 62 L CB -0.858 41.271 42.059 0.117 0.000 0.933 62 L HN 0.912 nan 8.230 nan 0.000 0.449 63 G N 0.218 109.100 108.800 0.137 0.000 2.574 63 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.286 63 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.286 63 G C 0.765 175.809 174.900 0.241 0.000 1.212 63 G CA 0.247 45.467 45.100 0.200 0.000 0.979 63 G HN 0.166 nan 8.290 nan 0.000 0.557 64 S N -0.244 115.604 115.700 0.246 0.000 2.500 64 S HA 0.014 4.484 4.470 -0.000 0.000 0.239 64 S C 2.400 177.138 174.600 0.230 0.000 0.989 64 S CA 1.318 59.680 58.200 0.270 0.000 0.951 64 S CB -0.143 63.262 63.200 0.341 0.000 0.759 64 S HN 0.813 nan 8.310 nan 0.000 0.523 65 V N 1.726 121.765 119.914 0.208 0.000 2.828 65 V HA -0.163 3.957 4.120 -0.000 0.000 0.260 65 V C 2.121 178.338 176.094 0.205 0.000 1.101 65 V CA 1.514 63.921 62.300 0.178 0.000 1.123 65 V CB -0.801 31.151 31.823 0.216 0.000 0.704 65 V HN 0.463 nan 8.190 nan 0.000 0.493 66 S N -0.507 115.340 115.700 0.245 0.000 2.419 66 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 66 S C 1.909 176.674 174.600 0.274 0.000 1.016 66 S CA 1.091 59.474 58.200 0.304 0.000 0.974 66 S CB -0.234 63.068 63.200 0.169 0.000 0.786 66 S HN 0.636 nan 8.310 nan 0.000 0.492 67 K N 0.966 121.479 120.400 0.188 0.000 2.211 67 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 67 K C 2.450 179.084 176.600 0.056 0.000 1.047 67 K CA 1.633 58.014 56.287 0.157 0.000 0.935 67 K CB -0.464 32.161 32.500 0.209 0.000 0.728 67 K HN 0.613 nan 8.250 nan 0.000 0.452 68 T N -1.325 113.152 114.554 -0.128 0.000 2.904 68 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 68 T C 1.738 176.403 174.700 -0.058 0.000 1.059 68 T CA 0.790 62.608 62.100 -0.469 0.000 1.137 68 T CB -0.338 67.748 68.868 -1.303 0.000 0.879 68 T HN 0.021 nan 8.240 nan 0.000 0.467 69 F N 2.105 122.121 119.950 0.111 0.000 2.163 69 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 69 F C 3.018 178.890 175.800 0.120 0.000 1.094 69 F CA 1.299 59.350 58.000 0.085 0.000 1.290 69 F CB -1.103 37.835 39.000 -0.104 0.000 1.017 69 F HN 0.127 nan 8.300 nan 0.000 0.483 70 T N -0.513 114.240 114.554 0.330 0.000 2.746 70 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 70 T C 2.361 177.233 174.700 0.286 0.000 1.039 70 T CA 1.445 63.742 62.100 0.328 0.000 1.142 70 T CB -1.016 68.034 68.868 0.303 0.000 0.866 70 T HN 0.443 nan 8.240 nan 0.000 0.444 71 G N 0.857 109.801 108.800 0.240 0.000 2.418 71 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G C 1.698 176.753 174.900 0.259 0.000 1.158 71 G CA 0.787 46.036 45.100 0.249 0.000 0.771 71 G HN 0.434 nan 8.290 nan 0.000 0.545 72 V N 0.550 120.615 119.914 0.251 0.000 2.427 72 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 72 V C 2.668 178.873 176.094 0.185 0.000 1.051 72 V CA 1.498 63.956 62.300 0.263 0.000 1.048 72 V CB -0.275 31.793 31.823 0.409 0.000 0.666 72 V HN 0.344 nan 8.190 nan 0.000 0.456 73 L N 1.246 122.551 121.223 0.136 0.000 2.083 73 L HA -0.016 4.324 4.340 -0.000 0.000 0.209 73 L C 2.293 179.153 176.870 -0.016 0.000 1.083 73 L CA 2.362 57.197 54.840 -0.008 0.000 0.752 73 L CB -1.146 40.821 42.059 -0.154 0.000 0.899 73 L HN 0.268 nan 8.230 nan 0.000 0.433 74 G N -1.283 107.556 108.800 0.064 0.000 2.408 74 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 74 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 74 G C 1.505 176.499 174.900 0.156 0.000 1.150 74 G CA 0.478 45.616 45.100 0.063 0.000 0.776 74 G HN 0.570 nan 8.290 nan 0.000 0.542 75 G N 0.536 109.446 108.800 0.183 0.000 2.408 75 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 75 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 75 G C 1.415 176.369 174.900 0.091 0.000 1.150 75 G CA 1.265 46.457 45.100 0.153 0.000 0.776 75 G HN 0.490 nan 8.290 nan 0.000 0.542 76 D N 0.482 120.920 120.400 0.063 0.000 2.144 76 D HA 0.065 4.705 4.640 -0.000 0.000 0.200 76 D C 2.622 178.919 176.300 -0.006 0.000 0.978 76 D CA 1.279 55.293 54.000 0.023 0.000 0.833 76 D CB -0.193 40.608 40.800 0.001 0.000 0.961 76 D HN 0.232 nan 8.370 nan 0.000 0.470 77 A N -0.149 122.655 122.820 -0.028 0.000 1.968 77 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 77 A C 2.254 179.826 177.584 -0.021 0.000 1.169 77 A CA 0.727 52.730 52.037 -0.057 0.000 0.638 77 A CB -0.591 18.334 19.000 -0.125 0.000 0.812 77 A HN 0.354 nan 8.150 nan 0.000 0.446 78 I N -0.252 120.330 120.570 0.020 0.000 2.202 78 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 78 I C 2.918 179.057 176.117 0.037 0.000 1.091 78 I CA 1.056 62.383 61.300 0.045 0.000 1.368 78 I CB -0.322 37.729 38.000 0.084 0.000 1.058 78 I HN 0.319 nan 8.210 nan 0.000 0.410 79 A N 0.621 123.463 122.820 0.036 0.000 2.019 79 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 79 A C 2.309 179.901 177.584 0.013 0.000 1.164 79 A CA 1.407 53.459 52.037 0.027 0.000 0.644 79 A CB -0.550 18.466 19.000 0.027 0.000 0.805 79 A HN 0.341 nan 8.150 nan 0.000 0.449 80 R N -1.701 118.800 120.500 0.003 0.000 2.275 80 R HA 0.168 4.508 4.340 -0.000 0.000 0.199 80 R C 1.281 177.581 176.300 0.001 0.000 0.989 80 R CA 0.581 56.677 56.100 -0.006 0.000 1.016 80 R CB -0.070 30.216 30.300 -0.022 0.000 0.918 80 R HN 0.688 nan 8.270 nan 0.000 0.473 81 G N 0.865 109.671 108.800 0.010 0.000 2.136 81 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.242 81 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.242 81 G C 0.475 175.388 174.900 0.023 0.000 0.989 81 G CA 0.440 45.552 45.100 0.020 0.000 0.682 81 G HN 0.431 nan 8.290 nan 0.000 0.522 82 E N -0.612 119.590 120.200 0.004 0.000 2.122 82 E HA 0.254 4.604 4.350 -0.000 0.000 0.190 82 E C 1.515 178.123 176.600 0.014 0.000 0.977 82 E CA 1.156 57.555 56.400 -0.003 0.000 0.820 82 E CB 0.203 29.873 29.700 -0.049 0.000 0.770 82 E HN 0.895 nan 8.360 nan 0.000 0.462 83 I N -2.520 118.047 120.570 -0.006 0.000 3.074 83 I HA 0.494 4.664 4.170 -0.000 0.000 0.310 83 I C -1.284 174.887 176.117 0.090 0.000 1.153 83 I CA -1.286 60.020 61.300 0.011 0.000 0.993 83 I CB 2.248 40.113 38.000 -0.225 0.000 1.237 83 I HN -0.357 nan 8.210 nan 0.000 0.443 84 K N 2.465 122.965 120.400 0.167 0.000 2.378 84 K HA 0.503 4.823 4.320 -0.000 0.000 0.252 84 K C 0.032 176.724 176.600 0.154 0.000 0.931 84 K CA -0.749 55.623 56.287 0.141 0.000 0.794 84 K CB 2.893 35.474 32.500 0.135 0.000 1.181 84 K HN 0.606 nan 8.250 nan 0.000 0.425 85 L N 1.145 122.430 121.223 0.105 0.000 2.362 85 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 85 L C 1.886 178.786 176.870 0.049 0.000 1.134 85 L CA 1.207 56.083 54.840 0.060 0.000 0.807 85 L CB -0.202 41.836 42.059 -0.035 0.000 0.927 85 L HN 0.715 nan 8.230 nan 0.000 0.447 86 S N -2.827 112.915 115.700 0.069 0.000 2.562 86 S HA 0.013 4.483 4.470 -0.000 0.000 0.221 86 S C 0.586 175.245 174.600 0.098 0.000 0.975 86 S CA -0.322 57.914 58.200 0.060 0.000 0.918 86 S CB -0.272 62.961 63.200 0.054 0.000 0.772 86 S HN 0.202 nan 8.310 nan 0.000 0.531 87 D N 3.888 124.380 120.400 0.154 0.000 2.382 87 D HA 0.345 4.985 4.640 -0.000 0.000 0.245 87 D C -2.591 173.823 176.300 0.190 0.000 1.120 87 D CA -1.612 52.492 54.000 0.174 0.000 0.890 87 D CB 0.861 41.836 40.800 0.292 0.000 1.201 87 D HN 0.159 nan 8.370 nan 0.000 0.433 88 P HA 0.052 nan 4.420 nan 0.000 0.269 88 P C 0.760 178.176 177.300 0.194 0.000 1.209 88 P CA -0.117 63.079 63.100 0.160 0.000 0.776 88 P CB 0.597 32.359 31.700 0.104 0.000 0.876 89 T N 0.419 115.135 114.554 0.269 0.000 2.720 89 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 89 T C 1.705 176.523 174.700 0.196 0.000 1.037 89 T CA 2.372 64.643 62.100 0.285 0.000 1.144 89 T CB -1.082 67.983 68.868 0.328 0.000 0.864 89 T HN 0.636 nan 8.240 nan 0.000 0.444 90 T N 0.596 115.224 114.554 0.123 0.000 2.881 90 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 90 T C 1.797 176.491 174.700 -0.010 0.000 1.068 90 T CA 1.253 63.382 62.100 0.047 0.000 1.131 90 T CB -0.302 68.588 68.868 0.036 0.000 0.871 90 T HN 0.387 nan 8.240 nan 0.000 0.479 91 K N 0.090 120.415 120.400 -0.125 0.000 2.209 91 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 91 K C 1.106 177.407 176.600 -0.498 0.000 1.048 91 K CA 1.280 57.342 56.287 -0.375 0.000 0.940 91 K CB -0.162 31.961 32.500 -0.629 0.000 0.729 91 K HN 0.573 nan 8.250 nan 0.000 0.451 92 Y N -2.687 117.655 120.300 0.071 0.000 2.444 92 Y HA 0.135 4.685 4.550 -0.000 0.000 0.249 92 Y C 0.119 176.077 175.900 0.097 0.000 1.134 92 Y CA -0.557 57.569 58.100 0.043 0.000 1.261 92 Y CB 0.568 39.025 38.460 -0.006 0.000 1.143 92 Y HN 0.115 nan 8.280 nan 0.000 0.523 93 W N 2.379 123.675 121.300 -0.008 0.000 2.036 93 W HA 0.421 5.080 4.660 -0.000 0.000 0.294 93 W C -2.469 173.995 176.519 -0.091 0.000 0.948 93 W CA -3.705 53.599 57.345 -0.069 0.000 1.774 93 W CB 0.875 30.246 29.460 -0.149 0.000 1.950 93 W HN -0.085 nan 8.180 nan 0.000 0.384 94 P HA -0.239 nan 4.420 nan 0.000 0.217 94 P C 1.053 178.311 177.300 -0.070 0.000 1.148 94 P CA 2.223 65.341 63.100 0.030 0.000 0.834 94 P CB 0.378 32.109 31.700 0.051 0.000 0.783 95 E N -1.303 118.828 120.200 -0.114 0.000 2.418 95 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 95 E C 0.380 176.679 176.600 -0.502 0.000 1.026 95 E CA 0.024 56.271 56.400 -0.255 0.000 0.862 95 E CB -0.350 29.253 29.700 -0.163 0.000 0.799 95 E HN 0.133 nan 8.360 nan 0.000 0.518 96 L N 2.017 122.810 121.223 -0.717 0.000 2.384 96 L HA 0.036 4.376 4.340 -0.000 0.000 0.258 96 L C 1.125 177.786 176.870 -0.349 0.000 1.266 96 L CA 0.465 54.846 54.840 -0.766 0.000 1.162 96 L CB -0.071 41.363 42.059 -1.041 0.000 1.375 96 L HN -0.023 nan 8.230 nan 0.000 0.420 97 T N -0.706 113.719 114.554 -0.214 0.000 3.067 97 T HA 0.277 4.627 4.350 -0.000 0.000 0.257 97 T C 1.000 175.711 174.700 0.018 0.000 1.105 97 T CA 0.261 62.318 62.100 -0.072 0.000 1.104 97 T CB -0.070 68.762 68.868 -0.060 0.000 0.925 97 T HN 0.517 nan 8.240 nan 0.000 0.498 98 A N 3.142 125.997 122.820 0.057 0.000 2.561 98 A HA 0.299 4.619 4.320 -0.000 0.000 0.234 98 A C 1.776 179.475 177.584 0.192 0.000 1.055 98 A CA -0.137 51.984 52.037 0.140 0.000 0.756 98 A CB 0.280 19.407 19.000 0.212 0.000 0.986 98 A HN 0.418 nan 8.150 nan 0.000 0.505 99 K N 2.423 122.884 120.400 0.103 0.000 2.442 99 K HA -0.164 4.156 4.320 -0.000 0.000 0.198 99 K C 1.191 177.824 176.600 0.055 0.000 1.042 99 K CA 1.742 58.075 56.287 0.077 0.000 0.958 99 K CB -0.079 32.438 32.500 0.029 0.000 0.766 99 K HN 0.863 nan 8.250 nan 0.000 0.474 100 Q N -0.559 119.254 119.800 0.022 0.000 2.472 100 Q HA -0.084 4.256 4.340 -0.000 0.000 0.208 100 Q C 0.704 176.612 176.000 -0.154 0.000 0.958 100 Q CA 0.569 56.290 55.803 -0.136 0.000 0.932 100 Q CB -0.503 28.040 28.738 -0.326 0.000 1.007 100 Q HN 0.427 nan 8.270 nan 0.000 0.508 101 W N 1.784 123.142 121.300 0.097 0.000 3.139 101 W HA 0.222 4.882 4.660 -0.000 0.000 0.260 101 W C 0.463 177.044 176.519 0.104 0.000 1.312 101 W CA -0.585 56.841 57.345 0.134 0.000 1.606 101 W CB 0.199 29.718 29.460 0.098 0.000 1.118 101 W HN 0.010 nan 8.180 nan 0.000 0.675 102 N N 0.875 119.697 118.700 0.203 0.000 2.440 102 N HA 0.114 4.854 4.740 -0.000 0.000 0.265 102 N C 1.106 176.698 175.510 0.137 0.000 1.239 102 N CA 1.675 54.816 53.050 0.151 0.000 0.909 102 N CB 0.750 39.294 38.487 0.094 0.000 1.066 102 N HN 0.310 nan 8.380 nan 0.000 0.474 103 G N 2.759 111.660 108.800 0.168 0.000 2.195 103 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 103 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 103 G C 0.218 175.278 174.900 0.266 0.000 0.984 103 G CA -0.345 44.866 45.100 0.184 0.000 0.633 103 G HN 0.590 nan 8.290 nan 0.000 0.525 104 I N 3.021 123.764 120.570 0.289 0.000 2.301 104 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 104 I C 1.187 177.583 176.117 0.465 0.000 1.046 104 I CA 0.189 61.724 61.300 0.392 0.000 1.282 104 I CB 0.965 39.140 38.000 0.292 0.000 1.409 104 I HN 0.305 nan 8.210 nan 0.000 0.484 105 T N 3.041 117.910 114.554 0.526 0.000 2.923 105 T HA 0.456 4.806 4.350 -0.000 0.000 0.281 105 T C 1.268 176.098 174.700 0.215 0.000 0.995 105 T CA -0.893 61.365 62.100 0.263 0.000 0.985 105 T CB 1.533 70.446 68.868 0.076 0.000 1.114 105 T HN 0.407 nan 8.240 nan 0.000 0.548 106 L N 0.282 121.624 121.223 0.200 0.000 2.079 106 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 106 L C 2.575 179.421 176.870 -0.039 0.000 1.081 106 L CA 1.015 55.979 54.840 0.206 0.000 0.752 106 L CB -0.871 41.379 42.059 0.318 0.000 0.896 106 L HN 0.605 nan 8.230 nan 0.000 0.433 107 L N -0.231 120.921 121.223 -0.119 0.000 2.012 107 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 107 L C 2.406 179.187 176.870 -0.148 0.000 1.073 107 L CA 1.981 56.670 54.840 -0.253 0.000 0.748 107 L CB -0.674 41.249 42.059 -0.227 0.000 0.891 107 L HN 0.225 nan 8.230 nan 0.000 0.431 108 H N -1.014 118.096 119.070 0.067 0.000 2.352 108 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 108 H C 2.218 177.535 175.328 -0.018 0.000 1.097 108 H CA 1.803 57.890 56.048 0.065 0.000 1.311 108 H CB -0.181 29.647 29.762 0.111 0.000 1.377 108 H HN 0.333 nan 8.280 nan 0.000 0.504 109 L N 0.011 121.308 121.223 0.124 0.000 2.056 109 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 109 L C 2.775 179.575 176.870 -0.117 0.000 1.078 109 L CA 0.813 55.698 54.840 0.075 0.000 0.749 109 L CB -0.464 41.703 42.059 0.181 0.000 0.901 109 L HN 0.335 nan 8.230 nan 0.000 0.433 110 A N -0.269 122.306 122.820 -0.407 0.000 2.067 110 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 110 A C 2.031 179.226 177.584 -0.648 0.000 1.158 110 A CA 1.877 53.461 52.037 -0.755 0.000 0.661 110 A CB -0.634 17.406 19.000 -1.600 0.000 0.801 110 A HN 0.519 nan 8.150 nan 0.000 0.452 111 T N -6.415 107.861 114.554 -0.464 0.000 3.132 111 T HA 0.324 4.674 4.350 -0.000 0.000 0.274 111 T C 0.283 174.796 174.700 -0.313 0.000 1.011 111 T CA 0.215 62.069 62.100 -0.408 0.000 0.899 111 T CB -0.808 68.083 68.868 0.039 0.000 1.089 111 T HN 0.669 nan 8.240 nan 0.000 0.543 112 Y N 0.973 121.267 120.300 -0.010 0.000 4.177 112 Y HA -0.281 4.269 4.550 0.000 0.000 0.227 112 Y C 1.214 177.077 175.900 -0.061 0.000 1.154 112 Y CA 0.552 58.648 58.100 -0.008 0.000 1.887 112 Y CB -2.929 35.553 38.460 0.035 0.000 1.594 112 Y HN 0.588 nan 8.280 nan 0.000 0.668 113 T N -4.125 110.421 114.554 -0.013 0.000 3.174 113 T HA 0.650 5.000 4.350 -0.000 0.000 0.269 113 T C 1.395 176.053 174.700 -0.069 0.000 1.017 113 T CA 0.151 62.157 62.100 -0.157 0.000 0.899 113 T CB 0.775 69.312 68.868 -0.551 0.000 1.077 113 T HN 0.482 nan 8.240 nan 0.000 0.552 114 A N 1.404 124.242 122.820 0.030 0.000 2.121 114 A HA 0.534 4.854 4.320 -0.000 0.000 0.218 114 A C 1.884 179.515 177.584 0.079 0.000 1.154 114 A CA 0.682 52.716 52.037 -0.006 0.000 0.679 114 A CB -0.875 18.113 19.000 -0.020 0.000 0.795 114 A HN 1.517 nan 8.150 nan 0.000 0.458 115 G N -3.234 105.686 108.800 0.200 0.000 2.247 115 G HA2 0.404 4.364 3.960 -0.000 0.000 0.111 115 G HA3 0.404 4.364 3.960 -0.000 0.000 0.111 115 G C 0.992 176.216 174.900 0.540 0.000 1.045 115 G CA 0.389 45.710 45.100 0.369 0.000 0.715 115 G HN 1.979 nan 8.290 nan 0.000 0.485 116 G N -1.079 108.056 108.800 0.558 0.000 2.143 116 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.175 116 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.175 116 G C 0.492 175.660 174.900 0.447 0.000 1.004 116 G CA -0.017 45.373 45.100 0.483 0.000 0.671 116 G HN 1.274 nan 8.290 nan 0.000 0.512 117 L N 2.536 123.900 121.223 0.234 0.000 2.525 117 L HA 0.225 4.565 4.340 -0.000 0.000 0.278 117 L C -0.773 176.176 176.870 0.133 0.000 1.218 117 L CA -1.087 53.707 54.840 -0.076 0.000 0.878 117 L CB 0.301 42.229 42.059 -0.218 0.000 1.127 117 L HN 0.092 nan 8.230 nan 0.000 0.492 118 P HA -0.104 nan 4.420 nan 0.000 0.267 118 P C 0.540 177.920 177.300 0.133 0.000 1.200 118 P CA -0.343 62.873 63.100 0.195 0.000 0.772 118 P CB 0.897 32.760 31.700 0.272 0.000 0.855 119 L N 1.973 123.254 121.223 0.097 0.000 2.127 119 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 119 L C 0.891 177.776 176.870 0.025 0.000 1.089 119 L CA 1.953 56.817 54.840 0.039 0.000 0.757 119 L CB -0.594 41.501 42.059 0.060 0.000 0.899 119 L HN 0.456 nan 8.230 nan 0.000 0.434 120 Q N -1.447 118.380 119.800 0.045 0.000 2.423 120 Q HA 0.493 4.833 4.340 -0.000 0.000 0.278 120 Q C -1.292 174.689 176.000 -0.032 0.000 1.097 120 Q CA -0.988 54.824 55.803 0.014 0.000 0.809 120 Q CB 2.772 31.504 28.738 -0.009 0.000 1.391 120 Q HN -0.116 nan 8.270 nan 0.000 0.428 121 V N 2.922 122.769 119.914 -0.112 0.000 2.432 121 V HA 0.232 4.352 4.120 -0.000 0.000 0.271 121 V C -2.139 173.758 176.094 -0.329 0.000 1.046 121 V CA -1.507 60.552 62.300 -0.401 0.000 0.945 121 V CB 0.548 32.170 31.823 -0.334 0.000 0.992 121 V HN 0.653 nan 8.190 nan 0.000 0.471 122 P HA 0.044 nan 4.420 nan 0.000 0.265 122 P C 0.484 177.683 177.300 -0.169 0.000 1.187 122 P CA 0.003 62.977 63.100 -0.209 0.000 0.766 122 P CB 0.504 32.100 31.700 -0.173 0.000 0.820 123 D N 1.871 122.219 120.400 -0.087 0.000 2.263 123 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 123 D C 0.972 177.242 176.300 -0.049 0.000 0.971 123 D CA 1.239 55.206 54.000 -0.055 0.000 0.867 123 D CB 0.007 40.792 40.800 -0.025 0.000 0.929 123 D HN 0.525 nan 8.370 nan 0.000 0.492 124 E N -0.118 120.051 120.200 -0.051 0.000 2.516 124 E HA -0.001 4.349 4.350 -0.000 0.000 0.199 124 E C 0.081 176.658 176.600 -0.038 0.000 1.069 124 E CA 0.067 56.448 56.400 -0.031 0.000 0.876 124 E CB 0.387 30.078 29.700 -0.015 0.000 0.843 124 E HN 0.007 nan 8.360 nan 0.000 0.530 125 V N 1.320 121.186 119.914 -0.081 0.000 2.333 125 V HA 0.170 4.290 4.120 -0.000 0.000 0.274 125 V C 0.628 176.689 176.094 -0.055 0.000 1.028 125 V CA -0.081 62.169 62.300 -0.083 0.000 0.851 125 V CB 1.380 33.077 31.823 -0.210 0.000 1.000 125 V HN 0.102 nan 8.190 nan 0.000 0.456 126 K N 2.059 122.448 120.400 -0.018 0.000 2.524 126 K HA 0.196 4.516 4.320 -0.000 0.000 0.210 126 K C 1.015 177.618 176.600 0.005 0.000 1.340 126 K CA 0.299 56.581 56.287 -0.008 0.000 0.880 126 K CB 0.322 32.821 32.500 -0.001 0.000 1.616 126 K HN 0.672 nan 8.250 nan 0.000 0.457 127 S N 0.446 116.158 115.700 0.019 0.000 2.608 127 S HA 0.106 4.576 4.470 -0.000 0.000 0.261 127 S C 1.017 175.649 174.600 0.053 0.000 1.314 127 S CA -0.432 57.786 58.200 0.030 0.000 0.992 127 S CB 1.503 64.723 63.200 0.034 0.000 0.935 127 S HN 0.110 nan 8.310 nan 0.000 0.564 128 S N 1.013 116.749 115.700 0.060 0.000 2.399 128 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 128 S C 2.060 176.754 174.600 0.157 0.000 1.022 128 S CA 1.229 59.488 58.200 0.098 0.000 0.983 128 S CB -0.684 62.559 63.200 0.071 0.000 0.803 128 S HN 0.786 nan 8.310 nan 0.000 0.480 129 S N 1.336 117.106 115.700 0.117 0.000 2.368 129 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 129 S C 1.525 176.202 174.600 0.127 0.000 1.029 129 S CA 1.217 59.487 58.200 0.117 0.000 0.988 129 S CB -0.451 62.795 63.200 0.078 0.000 0.838 129 S HN 0.421 nan 8.310 nan 0.000 0.462 130 D N 1.084 121.548 120.400 0.107 0.000 2.097 130 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 130 D C 1.960 178.359 176.300 0.166 0.000 0.989 130 D CA 0.822 54.886 54.000 0.106 0.000 0.827 130 D CB -0.583 40.252 40.800 0.059 0.000 0.966 130 D HN 0.298 nan 8.370 nan 0.000 0.456 131 L N 1.032 122.368 121.223 0.188 0.000 2.013 131 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 131 L C 2.276 179.431 176.870 0.474 0.000 1.073 131 L CA 1.308 56.331 54.840 0.304 0.000 0.753 131 L CB -0.908 41.336 42.059 0.309 0.000 0.890 131 L HN 0.041 nan 8.230 nan 0.000 0.432 132 L N -0.468 121.014 121.223 0.430 0.000 2.046 132 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 132 L C 2.703 179.652 176.870 0.131 0.000 1.077 132 L CA 1.900 56.907 54.840 0.279 0.000 0.747 132 L CB -0.732 41.438 42.059 0.185 0.000 0.896 132 L HN 0.321 nan 8.230 nan 0.000 0.432 133 R N -1.479 119.110 120.500 0.148 0.000 2.081 133 R HA -0.231 4.109 4.340 -0.000 0.000 0.235 133 R C 2.341 178.731 176.300 0.150 0.000 1.131 133 R CA 1.791 57.959 56.100 0.115 0.000 0.960 133 R CB -0.585 29.780 30.300 0.109 0.000 0.856 133 R HN 0.445 nan 8.270 nan 0.000 0.436 134 F N 0.525 120.487 119.950 0.019 0.000 2.065 134 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 134 F C 1.498 177.300 175.800 0.003 0.000 1.112 134 F CA 1.616 59.586 58.000 -0.050 0.000 1.212 134 F CB -0.672 38.209 39.000 -0.199 0.000 0.975 134 F HN 0.017 nan 8.300 nan 0.000 0.476 135 Y N 0.334 120.626 120.300 -0.014 0.000 2.263 135 Y HA -0.143 4.407 4.550 0.000 0.000 0.292 135 Y C 2.614 178.642 175.900 0.213 0.000 1.130 135 Y CA 1.429 59.541 58.100 0.020 0.000 1.179 135 Y CB -0.966 37.456 38.460 -0.063 0.000 0.998 135 Y HN 0.133 nan 8.280 nan 0.000 0.532 136 Q N -0.055 119.844 119.800 0.165 0.000 2.224 136 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 136 Q C 0.904 177.015 176.000 0.186 0.000 0.970 136 Q CA 0.979 56.868 55.803 0.144 0.000 0.865 136 Q CB -0.174 28.563 28.738 -0.001 0.000 0.922 136 Q HN 0.569 nan 8.270 nan 0.000 0.445 137 N N -1.017 117.763 118.700 0.134 0.000 2.236 137 N HA -0.025 4.715 4.740 -0.000 0.000 0.196 137 N C -0.105 175.442 175.510 0.062 0.000 1.114 137 N CA -0.126 52.969 53.050 0.076 0.000 0.859 137 N CB 0.176 38.694 38.487 0.051 0.000 0.982 137 N HN 0.199 nan 8.380 nan 0.000 0.493 138 W N 2.777 124.005 121.300 -0.118 0.000 2.210 138 W HA 0.157 4.817 4.660 -0.000 0.000 0.330 138 W C -0.075 176.348 176.519 -0.160 0.000 1.334 138 W CA 0.039 57.267 57.345 -0.196 0.000 1.227 138 W CB 0.512 29.835 29.460 -0.228 0.000 1.178 138 W HN -0.156 nan 8.180 nan 0.000 0.560 139 Q N 7.730 126.966 119.800 -0.939 0.000 2.357 139 Q HA 0.431 4.771 4.340 -0.000 0.000 0.266 139 Q C -2.362 172.804 176.000 -1.390 0.000 1.021 139 Q CA -2.543 52.668 55.803 -0.987 0.000 0.784 139 Q CB 1.299 29.737 28.738 -0.501 0.000 1.243 139 Q HN 0.213 nan 8.270 nan 0.000 0.465 140 P HA 0.042 nan 4.420 nan 0.000 0.266 140 P C -0.498 176.394 177.300 -0.681 0.000 1.195 140 P CA 0.206 62.629 63.100 -1.129 0.000 0.768 140 P CB 1.016 32.211 31.700 -0.843 0.000 0.838 141 A N 2.591 125.014 122.820 -0.662 0.000 2.081 141 A HA 0.097 4.416 4.320 -0.000 0.000 0.214 141 A C 0.161 177.027 177.584 -1.195 0.000 1.158 141 A CA 0.799 52.180 52.037 -1.093 0.000 0.724 141 A CB -0.148 17.760 19.000 -1.820 0.000 0.826 141 A HN 0.539 nan 8.150 nan 0.000 0.463 142 W N -2.910 118.335 121.300 -0.091 0.000 3.018 142 W HA 0.632 5.292 4.660 -0.000 0.000 0.352 142 W C -0.039 176.420 176.519 -0.099 0.000 1.230 142 W CA -1.186 56.111 57.345 -0.080 0.000 1.162 142 W CB 0.896 30.325 29.460 -0.051 0.000 1.483 142 W HN 0.110 nan 8.180 nan 0.000 0.584 143 A N 3.158 126.072 122.820 0.157 0.000 2.366 143 A HA 0.511 4.830 4.320 -0.000 0.000 0.249 143 A C -2.029 175.566 177.584 0.018 0.000 1.084 143 A CA -0.823 51.240 52.037 0.043 0.000 0.794 143 A CB -0.692 18.332 19.000 0.040 0.000 1.034 143 A HN 0.155 nan 8.150 nan 0.000 0.491 144 P HA 0.266 nan 4.420 nan 0.000 0.271 144 P C 0.667 177.827 177.300 -0.234 0.000 1.218 144 P CA 1.292 64.236 63.100 -0.260 0.000 0.780 144 P CB 0.835 32.276 31.700 -0.433 0.000 0.901 145 G N 1.754 110.384 108.800 -0.284 0.000 2.147 145 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 145 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 145 G C 0.585 175.454 174.900 -0.053 0.000 1.005 145 G CA 0.721 45.819 45.100 -0.002 0.000 0.713 145 G HN 0.783 nan 8.290 nan 0.000 0.515 146 T N -4.925 109.551 114.554 -0.130 0.000 2.989 146 T HA 0.449 4.799 4.350 -0.000 0.000 0.250 146 T C 0.579 175.141 174.700 -0.231 0.000 0.981 146 T CA 0.795 62.834 62.100 -0.102 0.000 0.980 146 T CB 0.658 69.505 68.868 -0.036 0.000 1.133 146 T HN 0.278 nan 8.240 nan 0.000 0.489 147 Q N 0.894 120.515 119.800 -0.299 0.000 2.394 147 Q HA 0.507 4.847 4.340 -0.000 0.000 0.273 147 Q C -1.311 174.498 176.000 -0.318 0.000 1.089 147 Q CA -0.596 54.957 55.803 -0.416 0.000 0.812 147 Q CB 3.109 31.341 28.738 -0.845 0.000 1.353 147 Q HN 0.382 nan 8.270 nan 0.000 0.438 148 R N 1.887 122.228 120.500 -0.265 0.000 2.338 148 R HA 0.589 4.929 4.340 -0.000 0.000 0.317 148 R C -1.365 174.909 176.300 -0.042 0.000 0.968 148 R CA -0.611 55.415 56.100 -0.124 0.000 0.849 148 R CB 0.601 30.861 30.300 -0.067 0.000 1.128 148 R HN 0.481 nan 8.270 nan 0.000 0.448 149 L N 5.705 126.972 121.223 0.072 0.000 2.457 149 L HA 0.276 4.616 4.340 -0.000 0.000 0.266 149 L C -1.434 175.469 176.870 0.054 0.000 0.979 149 L CA -0.662 54.238 54.840 0.100 0.000 0.857 149 L CB 1.128 43.320 42.059 0.222 0.000 1.213 149 L HN 0.653 nan 8.230 nan 0.000 0.418 150 Y N 4.899 125.046 120.300 -0.255 0.000 2.881 150 Y HA 0.338 4.888 4.550 -0.000 0.000 0.335 150 Y C 0.095 175.794 175.900 -0.336 0.000 1.263 150 Y CA 1.022 58.724 58.100 -0.662 0.000 1.572 150 Y CB 0.394 38.570 38.460 -0.472 0.000 1.237 150 Y HN 0.857 nan 8.280 nan 0.000 0.568 151 A N 5.571 127.957 122.820 -0.725 0.000 2.512 151 A HA 0.269 4.589 4.320 -0.000 0.000 0.294 151 A C -0.166 177.324 177.584 -0.157 0.000 1.054 151 A CA -0.924 50.948 52.037 -0.276 0.000 0.756 151 A CB 0.785 19.787 19.000 0.003 0.000 1.293 151 A HN 0.786 nan 8.150 nan 0.000 0.395 152 N N 1.165 119.795 118.700 -0.117 0.000 2.244 152 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 152 N C 1.946 177.518 175.510 0.104 0.000 1.016 152 N CA 1.878 54.938 53.050 0.017 0.000 0.866 152 N CB -0.114 38.431 38.487 0.098 0.000 0.980 152 N HN 0.842 nan 8.380 nan 0.000 0.430 153 S N -1.058 114.727 115.700 0.142 0.000 2.515 153 S HA 0.054 4.524 4.470 -0.000 0.000 0.231 153 S C 1.992 176.767 174.600 0.291 0.000 0.987 153 S CA 0.786 59.151 58.200 0.274 0.000 0.936 153 S CB -0.000 63.418 63.200 0.364 0.000 0.766 153 S HN 0.188 nan 8.310 nan 0.000 0.528 154 S N 1.242 117.065 115.700 0.205 0.000 2.324 154 S HA 0.247 4.717 4.470 -0.000 0.000 0.210 154 S C 1.633 176.334 174.600 0.168 0.000 1.027 154 S CA 0.490 58.804 58.200 0.189 0.000 0.945 154 S CB -0.567 62.772 63.200 0.232 0.000 0.908 154 S HN 0.560 nan 8.310 nan 0.000 0.496 155 I N 1.267 121.944 120.570 0.178 0.000 2.394 155 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 155 I C 2.156 178.352 176.117 0.132 0.000 1.136 155 I CA 1.208 62.593 61.300 0.142 0.000 1.425 155 I CB -0.645 37.436 38.000 0.135 0.000 1.079 155 I HN 0.493 nan 8.210 nan 0.000 0.425 156 G N 0.999 109.847 108.800 0.079 0.000 2.440 156 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 156 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 156 G C 1.543 176.404 174.900 -0.066 0.000 1.154 156 G CA 0.890 45.969 45.100 -0.035 0.000 0.767 156 G HN 0.391 nan 8.290 nan 0.000 0.552 157 L N -0.296 120.944 121.223 0.027 0.000 2.093 157 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 157 L C 2.407 179.241 176.870 -0.059 0.000 1.085 157 L CA 1.416 56.216 54.840 -0.068 0.000 0.755 157 L CB -0.683 41.297 42.059 -0.132 0.000 0.904 157 L HN 0.228 nan 8.230 nan 0.000 0.435 158 F N 0.516 120.413 119.950 -0.088 0.000 2.069 158 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 158 F C 2.201 177.950 175.800 -0.085 0.000 1.113 158 F CA 1.789 59.743 58.000 -0.077 0.000 1.214 158 F CB -1.123 37.841 39.000 -0.060 0.000 0.978 158 F HN 0.105 nan 8.300 nan 0.000 0.474 159 G N -0.236 108.435 108.800 -0.215 0.000 2.442 159 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 159 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 159 G C 1.803 176.579 174.900 -0.207 0.000 1.141 159 G CA 1.000 45.951 45.100 -0.249 0.000 0.763 159 G HN 0.682 nan 8.290 nan 0.000 0.554 160 A N 0.337 122.983 122.820 -0.289 0.000 1.930 160 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 160 A C 2.400 179.816 177.584 -0.279 0.000 1.175 160 A CA 1.156 53.036 52.037 -0.261 0.000 0.627 160 A CB -0.275 18.529 19.000 -0.327 0.000 0.815 160 A HN 0.361 nan 8.150 nan 0.000 0.443 161 L N -1.039 119.990 121.223 -0.325 0.000 2.179 161 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 161 L C 2.954 179.566 176.870 -0.430 0.000 1.096 161 L CA 0.698 55.347 54.840 -0.319 0.000 0.779 161 L CB -0.512 41.421 42.059 -0.210 0.000 0.922 161 L HN 0.383 nan 8.230 nan 0.000 0.443 162 A N 0.486 122.982 122.820 -0.540 0.000 1.978 162 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 162 A C 2.204 179.552 177.584 -0.395 0.000 1.170 162 A CA 1.964 53.641 52.037 -0.599 0.000 0.636 162 A CB -0.742 17.738 19.000 -0.865 0.000 0.810 162 A HN 0.341 nan 8.150 nan 0.000 0.448 163 V N -3.410 116.332 119.914 -0.288 0.000 3.541 163 V HA 0.065 4.184 4.120 -0.000 0.000 0.267 163 V C 1.702 177.691 176.094 -0.175 0.000 1.213 163 V CA 1.222 63.393 62.300 -0.214 0.000 1.149 163 V CB -0.500 31.218 31.823 -0.174 0.000 0.822 163 V HN 0.410 nan 8.190 nan 0.000 0.462 164 K N 1.287 121.575 120.400 -0.186 0.000 2.020 164 K HA -0.103 4.217 4.320 -0.000 0.000 0.212 164 K C 0.065 176.624 176.600 -0.069 0.000 1.050 164 K CA 2.310 58.526 56.287 -0.119 0.000 0.929 164 K CB -1.483 30.962 32.500 -0.091 0.000 0.714 164 K HN 0.479 nan 8.250 nan 0.000 0.443 165 P HA -0.154 nan 4.420 nan 0.000 0.219 165 P C 1.298 178.575 177.300 -0.038 0.000 1.146 165 P CA 1.491 64.585 63.100 -0.011 0.000 0.808 165 P CB -0.017 31.689 31.700 0.010 0.000 0.779 166 S N -1.722 113.933 115.700 -0.074 0.000 2.481 166 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 166 S C 1.909 176.469 174.600 -0.067 0.000 0.996 166 S CA 0.883 59.039 58.200 -0.074 0.000 0.942 166 S CB -1.428 61.710 63.200 -0.103 0.000 0.768 166 S HN 0.297 nan 8.310 nan 0.000 0.520 167 G N 0.817 109.578 108.800 -0.065 0.000 2.212 167 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.266 167 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.266 167 G C 0.068 174.927 174.900 -0.068 0.000 0.978 167 G CA 0.584 45.650 45.100 -0.057 0.000 0.632 167 G HN 0.584 nan 8.290 nan 0.000 0.537 168 L N 1.529 122.699 121.223 -0.087 0.000 2.466 168 L HA 0.555 4.895 4.340 -0.000 0.000 0.257 168 L C 1.522 178.333 176.870 -0.098 0.000 1.189 168 L CA -0.146 54.635 54.840 -0.097 0.000 0.813 168 L CB 0.938 42.922 42.059 -0.126 0.000 1.118 168 L HN 0.408 nan 8.230 nan 0.000 0.471 169 S N -0.035 115.612 115.700 -0.088 0.000 2.603 169 S HA 0.091 4.561 4.470 -0.000 0.000 0.268 169 S C 0.782 175.336 174.600 -0.077 0.000 1.317 169 S CA -0.461 57.702 58.200 -0.062 0.000 1.012 169 S CB 0.582 63.753 63.200 -0.047 0.000 0.926 169 S HN 0.540 nan 8.310 nan 0.000 0.539 170 F N 1.737 121.590 119.950 -0.162 0.000 2.126 170 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 170 F C 2.101 177.782 175.800 -0.198 0.000 1.096 170 F CA 2.177 60.064 58.000 -0.189 0.000 1.255 170 F CB -0.562 38.326 39.000 -0.187 0.000 0.997 170 F HN 0.742 nan 8.300 nan 0.000 0.479 171 E N -0.195 119.967 120.200 -0.064 0.000 2.051 171 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 171 E C 2.090 178.544 176.600 -0.243 0.000 0.991 171 E CA 1.534 57.849 56.400 -0.140 0.000 0.799 171 E CB -0.432 29.255 29.700 -0.021 0.000 0.748 171 E HN 0.405 nan 8.360 nan 0.000 0.449 172 Q N 0.286 119.975 119.800 -0.186 0.000 2.167 172 Q HA -0.020 4.319 4.340 -0.000 0.000 0.202 172 Q C 1.906 177.749 176.000 -0.262 0.000 0.970 172 Q CA 1.575 57.268 55.803 -0.182 0.000 0.855 172 Q CB -0.313 28.352 28.738 -0.122 0.000 0.911 172 Q HN 0.272 nan 8.270 nan 0.000 0.438 173 A N 0.023 122.648 122.820 -0.326 0.000 1.877 173 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 173 A C 2.067 179.360 177.584 -0.484 0.000 1.186 173 A CA 1.799 53.614 52.037 -0.369 0.000 0.620 173 A CB -0.685 18.072 19.000 -0.405 0.000 0.822 173 A HN 0.513 nan 8.150 nan 0.000 0.443 174 M N -0.139 119.038 119.600 -0.704 0.000 2.080 174 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 174 M C 2.139 177.882 176.300 -0.928 0.000 1.068 174 M CA 2.022 56.779 55.300 -0.905 0.000 1.109 174 M CB -0.664 31.264 32.600 -1.121 0.000 1.342 174 M HN 0.539 nan 8.290 nan 0.000 0.405 175 Q N -1.219 118.179 119.800 -0.670 0.000 2.020 175 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 175 Q C 1.936 177.775 176.000 -0.268 0.000 0.982 175 Q CA 2.405 57.956 55.803 -0.420 0.000 0.838 175 Q CB -0.387 28.218 28.738 -0.221 0.000 0.899 175 Q HN 0.778 nan 8.270 nan 0.000 0.423 176 T N -2.303 112.111 114.554 -0.234 0.000 3.043 176 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 176 T C 1.630 176.243 174.700 -0.145 0.000 1.094 176 T CA 0.372 62.378 62.100 -0.157 0.000 1.127 176 T CB 0.105 68.895 68.868 -0.131 0.000 0.905 176 T HN 0.109 nan 8.240 nan 0.000 0.490 177 R N -0.140 120.243 120.500 -0.196 0.000 2.237 177 R HA 0.358 4.698 4.340 -0.000 0.000 0.195 177 R C 1.620 177.859 176.300 -0.102 0.000 0.956 177 R CA 0.328 56.342 56.100 -0.144 0.000 1.029 177 R CB 0.367 30.568 30.300 -0.165 0.000 0.972 177 R HN 0.292 nan 8.270 nan 0.000 0.493 178 V N -0.925 118.893 119.914 -0.160 0.000 3.264 178 V HA 0.024 4.144 4.120 -0.000 0.000 0.217 178 V C 1.478 177.631 176.094 0.098 0.000 1.236 178 V CA 0.420 62.702 62.300 -0.031 0.000 1.287 178 V CB -0.479 31.285 31.823 -0.099 0.000 1.241 178 V HN -0.037 nan 8.190 nan 0.000 0.518 179 F N 1.560 121.426 119.950 -0.139 0.000 2.065 179 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 179 F C 2.637 178.339 175.800 -0.165 0.000 1.112 179 F CA 1.782 59.658 58.000 -0.207 0.000 1.212 179 F CB -1.341 37.437 39.000 -0.371 0.000 0.975 179 F HN 0.219 nan 8.300 nan 0.000 0.476 180 Q N -0.254 119.566 119.800 0.033 0.000 2.016 180 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 180 Q C -0.294 175.704 176.000 -0.004 0.000 0.978 180 Q CA 1.836 57.624 55.803 -0.025 0.000 0.833 180 Q CB -1.527 27.177 28.738 -0.056 0.000 0.895 180 Q HN 0.267 nan 8.270 nan 0.000 0.427 181 P HA -0.160 nan 4.420 nan 0.000 0.218 181 P C 0.551 177.877 177.300 0.044 0.000 1.148 181 P CA 1.209 64.319 63.100 0.017 0.000 0.822 181 P CB 0.081 31.791 31.700 0.016 0.000 0.784 182 L N -1.408 119.866 121.223 0.085 0.000 2.611 182 L HA 0.161 4.501 4.340 -0.000 0.000 0.229 182 L C 0.341 177.256 176.870 0.074 0.000 1.137 182 L CA 0.043 54.951 54.840 0.114 0.000 0.901 182 L CB -0.591 41.606 42.059 0.229 0.000 1.098 182 L HN -0.050 nan 8.230 nan 0.000 0.456 183 K N 0.924 121.340 120.400 0.028 0.000 3.096 183 K HA -0.174 4.146 4.320 -0.000 0.000 0.266 183 K C -0.293 176.280 176.600 -0.044 0.000 1.043 183 K CA 0.408 56.686 56.287 -0.015 0.000 0.758 183 K CB -1.781 30.718 32.500 -0.001 0.000 1.260 183 K HN 0.341 nan 8.250 nan 0.000 0.481 184 L N 1.475 122.648 121.223 -0.083 0.000 2.389 184 L HA 0.118 4.458 4.340 -0.000 0.000 0.265 184 L C 1.089 177.743 176.870 -0.360 0.000 1.167 184 L CA -0.557 54.165 54.840 -0.197 0.000 1.045 184 L CB 0.173 42.050 42.059 -0.304 0.000 1.351 184 L HN 0.154 nan 8.230 nan 0.000 0.419 185 N N 0.317 118.837 118.700 -0.300 0.000 2.512 185 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 185 N C 0.795 175.826 175.510 -0.799 0.000 1.073 185 N CA 0.921 53.681 53.050 -0.482 0.000 0.911 185 N CB 0.125 38.393 38.487 -0.364 0.000 0.964 185 N HN 0.503 nan 8.380 nan 0.000 0.447 186 H N -1.023 117.887 119.070 -0.268 0.000 2.549 186 H HA 0.276 4.831 4.556 -0.000 0.000 0.253 186 H C -0.313 174.806 175.328 -0.347 0.000 1.170 186 H CA -0.089 55.895 56.048 -0.107 0.000 0.943 186 H CB 0.377 30.159 29.762 0.033 0.000 1.849 186 H HN -0.124 nan 8.280 nan 0.000 0.603 187 T N 1.057 115.079 114.554 -0.887 0.000 2.797 187 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 187 T C -0.692 173.158 174.700 -1.417 0.000 0.991 187 T CA -0.419 61.058 62.100 -1.038 0.000 0.979 187 T CB 1.245 69.309 68.868 -1.340 0.000 0.943 187 T HN 0.228 nan 8.240 nan 0.000 0.444 188 W N 1.864 122.848 121.300 -0.527 0.000 3.033 188 W HA 0.571 5.231 4.660 0.000 0.000 0.336 188 W C 0.535 176.919 176.519 -0.225 0.000 1.173 188 W CA -0.793 56.366 57.345 -0.310 0.000 1.185 188 W CB 0.979 30.274 29.460 -0.274 0.000 1.425 188 W HN 0.480 nan 8.180 nan 0.000 0.536 189 I N 1.212 121.881 120.570 0.165 0.000 2.731 189 I HA 0.035 4.205 4.170 -0.000 0.000 0.260 189 I C -0.082 176.053 176.117 0.029 0.000 1.138 189 I CA 0.680 62.022 61.300 0.071 0.000 1.461 189 I CB 0.049 38.103 38.000 0.090 0.000 1.128 189 I HN 0.360 nan 8.210 nan 0.000 0.438 190 N N 0.739 119.490 118.700 0.084 0.000 2.573 190 N HA 0.243 4.983 4.740 -0.000 0.000 0.262 190 N C -0.707 174.741 175.510 -0.103 0.000 1.029 190 N CA -0.378 52.662 53.050 -0.016 0.000 0.882 190 N CB 2.028 40.513 38.487 -0.004 0.000 1.204 190 N HN -0.084 nan 8.380 nan 0.000 0.519 191 V N 1.486 121.234 119.914 -0.276 0.000 2.458 191 V HA 0.293 4.413 4.120 -0.000 0.000 0.287 191 V C -1.678 174.098 176.094 -0.531 0.000 1.009 191 V CA -1.213 60.746 62.300 -0.568 0.000 1.091 191 V CB -0.391 31.054 31.823 -0.631 0.000 0.960 191 V HN 0.492 nan 8.190 nan 0.000 0.476 192 P HA 0.348 nan 4.420 nan 0.000 0.274 192 P C -2.263 174.826 177.300 -0.352 0.000 1.246 192 P CA -1.739 61.051 63.100 -0.516 0.000 0.795 192 P CB 0.759 32.063 31.700 -0.659 0.000 1.006 193 P HA -0.223 nan 4.420 nan 0.000 0.215 193 P C 1.493 178.716 177.300 -0.129 0.000 1.163 193 P CA 2.421 65.442 63.100 -0.132 0.000 0.894 193 P CB -0.574 31.071 31.700 -0.091 0.000 0.791 194 A N -0.635 122.099 122.820 -0.143 0.000 2.234 194 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 194 A C 1.866 179.386 177.584 -0.108 0.000 1.167 194 A CA 1.523 53.498 52.037 -0.103 0.000 0.698 194 A CB -0.749 18.198 19.000 -0.087 0.000 0.779 194 A HN 0.169 nan 8.150 nan 0.000 0.475 195 E N -1.797 118.289 120.200 -0.189 0.000 2.526 195 E HA 0.095 4.445 4.350 -0.000 0.000 0.208 195 E C 1.929 178.465 176.600 -0.107 0.000 0.997 195 E CA 0.758 57.057 56.400 -0.169 0.000 0.961 195 E CB 0.022 29.511 29.700 -0.351 0.000 1.030 195 E HN 0.795 nan 8.360 nan 0.000 0.483 196 E N 2.106 122.260 120.200 -0.077 0.000 2.209 196 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 196 E C 1.812 178.439 176.600 0.044 0.000 0.993 196 E CA 1.509 57.919 56.400 0.016 0.000 0.819 196 E CB -0.793 28.916 29.700 0.016 0.000 0.745 196 E HN 0.146 nan 8.360 nan 0.000 0.477 197 K N -0.181 120.229 120.400 0.016 0.000 2.520 197 K HA -0.171 4.149 4.320 -0.000 0.000 0.197 197 K C 0.308 176.930 176.600 0.037 0.000 1.044 197 K CA 1.671 57.975 56.287 0.029 0.000 0.938 197 K CB -0.163 32.344 32.500 0.011 0.000 0.767 197 K HN 0.446 nan 8.250 nan 0.000 0.481 198 N N -1.391 117.332 118.700 0.039 0.000 2.036 198 N HA 0.002 4.742 4.740 -0.000 0.000 0.228 198 N C -1.114 174.438 175.510 0.071 0.000 1.368 198 N CA -0.433 52.638 53.050 0.035 0.000 0.846 198 N CB 0.378 38.864 38.487 -0.001 0.000 1.145 198 N HN 0.140 nan 8.380 nan 0.000 0.502 199 Y N 2.910 123.155 120.300 -0.092 0.000 2.517 199 Y HA 0.335 4.885 4.550 -0.000 0.000 0.341 199 Y C 0.515 176.361 175.900 -0.090 0.000 1.247 199 Y CA -1.174 56.842 58.100 -0.140 0.000 1.774 199 Y CB -0.233 38.105 38.460 -0.204 0.000 1.641 199 Y HN 0.070 nan 8.280 nan 0.000 0.457 200 A N 5.232 128.128 122.820 0.126 0.000 2.555 200 A HA -0.086 4.234 4.320 -0.000 0.000 0.233 200 A C -0.751 176.914 177.584 0.135 0.000 1.060 200 A CA -0.001 52.095 52.037 0.098 0.000 0.759 200 A CB 0.214 19.196 19.000 -0.029 0.000 0.995 200 A HN 0.887 nan 8.150 nan 0.000 0.506 201 W N 0.587 121.892 121.300 0.007 0.000 2.237 201 W HA 0.490 5.150 4.660 0.000 0.000 0.335 201 W C 0.822 177.060 176.519 -0.469 0.000 1.230 201 W CA 0.684 57.854 57.345 -0.291 0.000 1.253 201 W CB 1.105 30.183 29.460 -0.636 0.000 1.129 201 W HN 0.899 nan 8.180 nan 0.000 0.590 202 G N 1.487 110.148 108.800 -0.232 0.000 2.343 202 G HA2 0.533 4.493 3.960 -0.000 0.000 0.319 202 G HA3 0.533 4.493 3.960 -0.000 0.000 0.319 202 G C -2.049 172.559 174.900 -0.487 0.000 1.126 202 G CA -0.546 44.188 45.100 -0.611 0.000 0.889 202 G HN 0.366 nan 8.290 nan 0.000 0.457 203 Y N 1.313 121.555 120.300 -0.096 0.000 2.330 203 Y HA 0.649 5.199 4.550 -0.000 0.000 0.336 203 Y C 0.789 176.698 175.900 0.014 0.000 1.036 203 Y CA -0.674 57.419 58.100 -0.012 0.000 1.125 203 Y CB 1.837 40.287 38.460 -0.016 0.000 1.194 203 Y HN 0.630 nan 8.280 nan 0.000 0.469 209 V N -0.447 119.506 119.914 0.065 0.000 3.159 209 V HA 0.837 4.957 4.120 -0.000 0.000 0.308 209 V C -0.648 175.599 176.094 0.256 0.000 1.190 209 V CA -0.804 61.612 62.300 0.193 0.000 1.037 209 V CB 1.717 33.620 31.823 0.134 0.000 1.060 209 V HN 1.012 nan 8.190 nan 0.000 0.437 210 H N -0.468 118.670 119.070 0.113 0.000 2.851 210 H HA 0.633 5.189 4.556 -0.000 0.000 0.372 210 H C -0.797 174.575 175.328 0.074 0.000 1.158 210 H CA -0.889 55.149 56.048 -0.015 0.000 1.159 210 H CB 2.390 31.957 29.762 -0.325 0.000 1.757 210 H HN 0.817 nan 8.280 nan 0.000 0.546 211 V N 2.909 122.938 119.914 0.193 0.000 2.720 211 V HA -0.038 4.082 4.120 -0.000 0.000 0.307 211 V C -0.178 176.002 176.094 0.143 0.000 1.071 211 V CA 0.606 62.999 62.300 0.156 0.000 1.199 211 V CB 0.766 32.683 31.823 0.157 0.000 0.900 211 V HN 0.722 nan 8.190 nan 0.000 0.494 212 S N 7.098 122.878 115.700 0.133 0.000 2.616 212 S HA 0.552 5.022 4.470 -0.000 0.000 0.277 212 S C -2.343 172.344 174.600 0.144 0.000 1.234 212 S CA -0.738 57.533 58.200 0.118 0.000 1.028 212 S CB 1.364 64.617 63.200 0.088 0.000 0.988 212 S HN 0.813 nan 8.310 nan 0.000 0.522 213 P HA 0.501 nan 4.420 nan 0.000 0.271 213 P C -0.234 177.122 177.300 0.093 0.000 1.218 213 P CA -0.107 63.041 63.100 0.080 0.000 0.780 213 P CB 0.566 32.290 31.700 0.041 0.000 0.901 214 G N -0.043 108.804 108.800 0.079 0.000 2.646 214 G HA2 0.552 4.512 3.960 -0.000 0.000 0.291 214 G HA3 0.552 4.512 3.960 -0.000 0.000 0.291 214 G C -1.492 173.407 174.900 -0.001 0.000 1.445 214 G CA -0.552 44.595 45.100 0.078 0.000 0.814 214 G HN 0.520 nan 8.290 nan 0.000 0.495 215 A N 0.181 122.990 122.820 -0.019 0.000 2.520 215 A HA 0.555 4.875 4.320 -0.000 0.000 0.245 215 A C 1.405 178.939 177.584 -0.083 0.000 1.072 215 A CA 0.512 52.517 52.037 -0.053 0.000 0.761 215 A CB -0.426 18.540 19.000 -0.056 0.000 1.004 215 A HN 1.743 nan 8.150 nan 0.000 0.499 216 L N 0.432 121.572 121.223 -0.138 0.000 4.429 216 L HA -0.324 4.016 4.340 -0.000 0.000 0.422 216 L C 1.298 177.951 176.870 -0.362 0.000 1.149 216 L CA 0.723 55.430 54.840 -0.222 0.000 0.972 216 L CB -1.776 40.212 42.059 -0.119 0.000 2.059 216 L HN 0.987 nan 8.230 nan 0.000 0.870 217 D N 0.518 120.668 120.400 -0.417 0.000 2.117 217 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 217 D C 1.959 177.813 176.300 -0.743 0.000 0.987 217 D CA 1.519 54.987 54.000 -0.887 0.000 0.829 217 D CB -0.145 40.290 40.800 -0.609 0.000 0.961 217 D HN 0.467 nan 8.370 nan 0.000 0.460 218 A N 0.813 123.369 122.820 -0.439 0.000 1.908 218 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 218 A C 2.091 179.439 177.584 -0.394 0.000 1.181 218 A CA 1.992 53.851 52.037 -0.297 0.000 0.627 218 A CB -0.634 18.279 19.000 -0.143 0.000 0.818 218 A HN 0.240 nan 8.150 nan 0.000 0.445 219 E N -0.460 119.303 120.200 -0.728 0.000 2.158 219 E HA 0.175 4.525 4.350 -0.000 0.000 0.191 219 E C 1.966 178.379 176.600 -0.311 0.000 0.982 219 E CA 1.111 57.003 56.400 -0.847 0.000 0.823 219 E CB -0.222 28.878 29.700 -0.999 0.000 0.766 219 E HN 0.589 nan 8.360 nan 0.000 0.468 220 A N -0.335 122.302 122.820 -0.304 0.000 2.035 220 A HA 0.089 4.409 4.320 -0.000 0.000 0.208 220 A C 0.930 178.550 177.584 0.060 0.000 1.206 220 A CA 0.737 52.720 52.037 -0.090 0.000 0.773 220 A CB -0.022 18.978 19.000 0.001 0.000 0.878 220 A HN 0.420 nan 8.150 nan 0.000 0.469 221 Y N -4.746 115.559 120.300 0.008 0.000 3.088 221 Y HA 0.401 4.951 4.550 -0.000 0.000 0.293 221 Y C 0.974 176.879 175.900 0.009 0.000 1.016 221 Y CA -0.444 57.675 58.100 0.033 0.000 1.285 221 Y CB -0.497 37.988 38.460 0.041 0.000 1.373 221 Y HN -0.005 nan 8.280 nan 0.000 0.589 222 G N 1.049 109.755 108.800 -0.157 0.000 3.141 222 G HA2 0.332 4.292 3.960 -0.000 0.000 0.218 222 G HA3 0.332 4.292 3.960 -0.000 0.000 0.218 222 G C -0.082 174.780 174.900 -0.063 0.000 1.170 222 G CA 0.164 45.216 45.100 -0.080 0.000 0.769 222 G HN 0.114 nan 8.290 nan 0.000 0.546 223 V N 0.385 120.264 119.914 -0.058 0.000 2.686 223 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 223 V C -0.184 175.807 176.094 -0.172 0.000 1.055 223 V CA -0.183 62.031 62.300 -0.144 0.000 1.050 223 V CB 1.433 33.104 31.823 -0.253 0.000 0.984 223 V HN 0.160 nan 8.190 nan 0.000 0.482 224 K N 2.335 122.596 120.400 -0.231 0.000 2.378 224 K HA 0.769 5.089 4.320 -0.000 0.000 0.252 224 K C -0.562 175.921 176.600 -0.196 0.000 0.931 224 K CA -0.153 56.002 56.287 -0.220 0.000 0.794 224 K CB 2.081 34.361 32.500 -0.367 0.000 1.181 224 K HN 0.696 nan 8.250 nan 0.000 0.425 225 S N 0.002 115.658 115.700 -0.074 0.000 2.705 225 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 225 S C -1.217 173.478 174.600 0.158 0.000 1.174 225 S CA -0.612 57.561 58.200 -0.045 0.000 0.823 225 S CB 1.067 64.195 63.200 -0.120 0.000 1.162 225 S HN 0.691 nan 8.310 nan 0.000 0.487 226 T N -0.570 114.067 114.554 0.139 0.000 2.949 226 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 226 T C 1.424 176.236 174.700 0.186 0.000 1.034 226 T CA -0.258 61.972 62.100 0.217 0.000 1.018 226 T CB 0.645 69.574 68.868 0.103 0.000 1.135 226 T HN 0.623 nan 8.240 nan 0.000 0.532 227 I N -0.949 119.735 120.570 0.189 0.000 2.676 227 I HA 0.135 4.305 4.170 -0.000 0.000 0.259 227 I C 2.000 178.193 176.117 0.126 0.000 1.194 227 I CA 0.892 62.292 61.300 0.166 0.000 1.473 227 I CB -0.987 37.132 38.000 0.200 0.000 1.096 227 I HN 0.738 nan 8.210 nan 0.000 0.443 228 E N 0.944 121.114 120.200 -0.050 0.000 2.158 228 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 228 E C 1.441 178.087 176.600 0.076 0.000 0.982 228 E CA 1.086 57.417 56.400 -0.115 0.000 0.823 228 E CB -0.098 29.439 29.700 -0.271 0.000 0.766 228 E HN 0.518 nan 8.360 nan 0.000 0.468 229 D N 0.168 120.613 120.400 0.076 0.000 2.123 229 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 229 D C 1.827 178.237 176.300 0.183 0.000 0.976 229 D CA 0.864 54.913 54.000 0.082 0.000 0.831 229 D CB 0.030 40.820 40.800 -0.017 0.000 0.974 229 D HN 0.046 nan 8.370 nan 0.000 0.469 230 M N 0.526 120.252 119.600 0.211 0.000 2.213 230 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 230 M C 2.189 178.687 176.300 0.329 0.000 1.062 230 M CA 0.691 56.181 55.300 0.316 0.000 1.105 230 M CB -1.120 31.646 32.600 0.276 0.000 1.385 230 M HN -0.025 nan 8.290 nan 0.000 0.417 231 A N -0.133 122.858 122.820 0.284 0.000 1.877 231 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 231 A C 2.399 180.091 177.584 0.181 0.000 1.186 231 A CA 1.892 54.083 52.037 0.256 0.000 0.620 231 A CB -0.700 18.541 19.000 0.402 0.000 0.822 231 A HN 0.451 nan 8.150 nan 0.000 0.443 232 R N -1.402 119.220 120.500 0.203 0.000 2.081 232 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 232 R C 2.176 178.598 176.300 0.203 0.000 1.131 232 R CA 1.605 57.802 56.100 0.162 0.000 0.960 232 R CB -0.387 30.007 30.300 0.157 0.000 0.856 232 R HN 0.840 nan 8.270 nan 0.000 0.436 233 W N 0.435 121.766 121.300 0.052 0.000 2.338 233 W HA -0.204 4.456 4.660 0.000 0.000 0.304 233 W C 1.397 177.869 176.519 -0.079 0.000 1.212 233 W CA 1.159 58.527 57.345 0.039 0.000 1.264 233 W CB 0.024 29.557 29.460 0.123 0.000 1.142 233 W HN -0.022 nan 8.180 nan 0.000 0.512 234 V N 1.069 120.956 119.914 -0.046 0.000 2.358 234 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 234 V C 2.266 178.050 176.094 -0.516 0.000 1.047 234 V CA 2.206 64.262 62.300 -0.408 0.000 1.035 234 V CB -1.007 30.713 31.823 -0.172 0.000 0.658 234 V HN 0.199 nan 8.190 nan 0.000 0.452 235 Q N -0.137 119.510 119.800 -0.254 0.000 2.124 235 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 235 Q C 2.471 178.307 176.000 -0.273 0.000 0.977 235 Q CA 1.952 57.616 55.803 -0.231 0.000 0.850 235 Q CB -0.229 28.445 28.738 -0.107 0.000 0.901 235 Q HN 0.603 nan 8.270 nan 0.000 0.429 236 S N 0.619 116.174 115.700 -0.241 0.000 2.383 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 236 S C 1.450 175.807 174.600 -0.405 0.000 1.026 236 S CA 0.927 58.988 58.200 -0.231 0.000 0.981 236 S CB -0.134 63.014 63.200 -0.087 0.000 0.818 236 S HN 0.389 nan 8.310 nan 0.000 0.472 237 N N 0.868 119.157 118.700 -0.685 0.000 2.415 237 N HA 0.183 4.923 4.740 -0.000 0.000 0.176 237 N C 1.529 176.556 175.510 -0.804 0.000 1.042 237 N CA 0.282 52.837 53.050 -0.825 0.000 0.902 237 N CB -0.015 37.764 38.487 -1.180 0.000 0.986 237 N HN 0.321 nan 8.380 nan 0.000 0.447 238 L N 1.563 122.309 121.223 -0.795 0.000 2.023 238 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 238 L C 1.294 177.991 176.870 -0.289 0.000 1.073 238 L CA 1.112 55.642 54.840 -0.516 0.000 0.745 238 L CB -0.087 41.712 42.059 -0.434 0.000 0.900 238 L HN 0.073 nan 8.230 nan 0.000 0.435 239 K N 0.415 120.662 120.400 -0.254 0.000 2.562 239 K HA 0.292 4.612 4.320 -0.000 0.000 0.206 239 K C -2.181 174.326 176.600 -0.154 0.000 1.033 239 K CA -1.313 54.872 56.287 -0.171 0.000 1.029 239 K CB 0.081 32.498 32.500 -0.138 0.000 1.393 239 K HN 0.022 nan 8.250 nan 0.000 0.539 240 P HA -0.083 nan 4.420 nan 0.000 0.223 240 P C 1.098 178.352 177.300 -0.077 0.000 1.151 240 P CA 0.487 63.517 63.100 -0.117 0.000 0.787 240 P CB 0.189 31.823 31.700 -0.110 0.000 0.788 241 L N -0.309 120.869 121.223 -0.075 0.000 2.362 241 L HA -0.110 4.230 4.340 -0.000 0.000 0.219 241 L C 1.881 178.721 176.870 -0.050 0.000 1.134 241 L CA 1.157 55.964 54.840 -0.056 0.000 0.807 241 L CB -0.751 41.275 42.059 -0.055 0.000 0.927 241 L HN -0.085 nan 8.230 nan 0.000 0.447 242 D N -0.070 120.295 120.400 -0.058 0.000 2.277 242 D HA 0.073 4.713 4.640 -0.000 0.000 0.208 242 D C 0.901 177.180 176.300 -0.036 0.000 0.962 242 D CA 0.436 54.407 54.000 -0.048 0.000 0.865 242 D CB 0.126 40.891 40.800 -0.058 0.000 0.939 242 D HN 0.164 nan 8.370 nan 0.000 0.510 243 I N 1.092 121.641 120.570 -0.036 0.000 2.668 243 I HA -0.060 4.110 4.170 -0.000 0.000 0.285 243 I C 1.958 178.067 176.117 -0.013 0.000 1.168 243 I CA 0.136 61.425 61.300 -0.019 0.000 1.424 243 I CB 0.623 38.614 38.000 -0.014 0.000 1.377 243 I HN 0.014 nan 8.210 nan 0.000 0.560 244 N N 6.171 124.866 118.700 -0.007 0.000 2.142 244 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 244 N C 0.784 176.290 175.510 -0.006 0.000 1.023 244 N CA 0.808 53.853 53.050 -0.008 0.000 0.852 244 N CB -0.340 38.144 38.487 -0.006 0.000 0.998 244 N HN 0.646 nan 8.380 nan 0.000 0.424 245 E N 0.782 120.981 120.200 -0.001 0.000 2.161 245 E HA 0.191 4.541 4.350 -0.000 0.000 0.263 245 E C 1.502 178.101 176.600 -0.001 0.000 1.185 245 E CA 0.283 56.683 56.400 -0.001 0.000 0.938 245 E CB 0.600 30.303 29.700 0.005 0.000 1.023 245 E HN 0.692 nan 8.360 nan 0.000 0.433 246 K N 3.073 123.470 120.400 -0.004 0.000 2.020 246 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 246 K C 2.104 178.704 176.600 0.000 0.000 1.050 246 K CA 2.497 58.782 56.287 -0.004 0.000 0.929 246 K CB -1.486 31.011 32.500 -0.006 0.000 0.714 246 K HN 0.648 nan 8.250 nan 0.000 0.443 247 T N -1.028 113.526 114.554 0.001 0.000 2.904 247 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 247 T C 1.998 176.707 174.700 0.016 0.000 1.059 247 T CA 1.274 63.377 62.100 0.006 0.000 1.137 247 T CB -0.173 68.694 68.868 -0.001 0.000 0.879 247 T HN 0.257 nan 8.240 nan 0.000 0.467 248 L N 1.086 122.319 121.223 0.017 0.000 2.093 248 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 248 L C 2.762 179.652 176.870 0.034 0.000 1.085 248 L CA 1.764 56.626 54.840 0.037 0.000 0.755 248 L CB -0.944 41.141 42.059 0.045 0.000 0.904 248 L HN 0.381 nan 8.230 nan 0.000 0.435 249 Q N -0.943 118.866 119.800 0.014 0.000 2.050 249 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 249 Q C 2.172 178.173 176.000 0.002 0.000 0.980 249 Q CA 2.147 57.948 55.803 -0.002 0.000 0.840 249 Q CB -0.108 28.623 28.738 -0.011 0.000 0.898 249 Q HN 0.677 nan 8.270 nan 0.000 0.424 250 Q N -0.744 119.063 119.800 0.011 0.000 2.079 250 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 250 Q C 2.078 178.103 176.000 0.042 0.000 0.974 250 Q CA 1.049 56.864 55.803 0.019 0.000 0.840 250 Q CB -0.223 28.526 28.738 0.019 0.000 0.898 250 Q HN 0.558 nan 8.270 nan 0.000 0.430 251 G N 1.404 110.236 108.800 0.053 0.000 2.476 251 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 251 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 251 G C 1.417 176.380 174.900 0.105 0.000 1.164 251 G CA 0.803 45.954 45.100 0.085 0.000 0.768 251 G HN 0.240 nan 8.290 nan 0.000 0.560 252 I N 0.456 121.070 120.570 0.074 0.000 2.286 252 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 252 I C 3.057 179.206 176.117 0.054 0.000 1.115 252 I CA 1.230 62.565 61.300 0.058 0.000 1.392 252 I CB -0.261 37.717 38.000 -0.037 0.000 1.065 252 I HN 0.305 nan 8.210 nan 0.000 0.418 253 Q N 0.444 120.261 119.800 0.027 0.000 2.119 253 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 253 Q C 2.363 178.394 176.000 0.050 0.000 0.972 253 Q CA 1.251 57.062 55.803 0.013 0.000 0.847 253 Q CB -0.150 28.584 28.738 -0.007 0.000 0.903 253 Q HN 0.519 nan 8.270 nan 0.000 0.433 254 L N 0.360 121.638 121.223 0.092 0.000 2.093 254 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 254 L C 2.508 179.528 176.870 0.250 0.000 1.085 254 L CA 0.937 55.870 54.840 0.154 0.000 0.755 254 L CB -0.566 41.595 42.059 0.170 0.000 0.904 254 L HN 0.185 nan 8.230 nan 0.000 0.435 255 A N -0.703 122.267 122.820 0.250 0.000 2.019 255 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 255 A C 2.117 179.925 177.584 0.374 0.000 1.164 255 A CA 1.370 53.611 52.037 0.340 0.000 0.644 255 A CB -0.306 18.923 19.000 0.381 0.000 0.805 255 A HN 0.515 nan 8.150 nan 0.000 0.449 256 Q N -0.039 119.896 119.800 0.224 0.000 2.319 256 Q HA 0.173 4.513 4.340 -0.000 0.000 0.202 256 Q C -0.028 175.993 176.000 0.035 0.000 0.896 256 Q CA -0.289 55.587 55.803 0.121 0.000 0.942 256 Q CB 0.394 29.126 28.738 -0.011 0.000 1.083 256 Q HN 0.524 nan 8.270 nan 0.000 0.510 257 S N 0.976 116.675 115.700 -0.003 0.000 2.593 257 S HA 0.216 4.686 4.470 -0.000 0.000 0.269 257 S C 0.064 174.475 174.600 -0.315 0.000 1.334 257 S CA -0.195 57.862 58.200 -0.238 0.000 1.015 257 S CB 0.581 63.520 63.200 -0.436 0.000 0.912 257 S HN 0.227 nan 8.310 nan 0.000 0.541 258 R N 1.174 121.457 120.500 -0.362 0.000 2.198 258 R HA 0.262 4.602 4.340 -0.000 0.000 0.339 258 R C -0.424 175.676 176.300 -0.334 0.000 1.020 258 R CA -0.157 55.828 56.100 -0.191 0.000 0.864 258 R CB 0.381 30.556 30.300 -0.209 0.000 1.105 258 R HN 0.682 nan 8.270 nan 0.000 0.463 259 Y N 0.608 120.910 120.300 0.004 0.000 2.479 259 Y HA 0.164 4.714 4.550 -0.000 0.000 0.283 259 Y C 0.111 175.687 175.900 -0.540 0.000 1.109 259 Y CA 0.208 58.149 58.100 -0.265 0.000 1.239 259 Y CB 0.549 38.880 38.460 -0.215 0.000 1.108 259 Y HN 0.471 nan 8.280 nan 0.000 0.548 260 W N -0.359 121.107 121.300 0.277 0.000 3.083 260 W HA 0.565 5.225 4.660 0.000 0.000 0.333 260 W C -0.955 175.680 176.519 0.194 0.000 1.217 260 W CA -1.015 56.453 57.345 0.205 0.000 1.170 260 W CB 1.174 30.738 29.460 0.174 0.000 1.437 260 W HN -0.467 nan 8.180 nan 0.000 0.557 261 Q N 1.483 121.495 119.800 0.354 0.000 2.337 261 Q HA 0.651 4.991 4.340 -0.000 0.000 0.270 261 Q C -0.940 175.087 176.000 0.046 0.000 1.043 261 Q CA -0.544 55.293 55.803 0.057 0.000 0.794 261 Q CB 2.165 30.871 28.738 -0.053 0.000 1.281 261 Q HN 0.473 nan 8.270 nan 0.000 0.446 262 T N 1.009 115.536 114.554 -0.044 0.000 2.949 262 T HA 0.682 5.032 4.350 -0.000 0.000 0.300 262 T C 0.543 175.189 174.700 -0.089 0.000 0.988 262 T CA 0.328 62.408 62.100 -0.034 0.000 0.993 262 T CB 1.158 70.024 68.868 -0.003 0.000 0.984 262 T HN 1.055 nan 8.240 nan 0.000 0.442 263 G N 4.778 113.526 108.800 -0.087 0.000 2.574 263 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.286 263 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.286 263 G C 0.188 174.996 174.900 -0.154 0.000 1.212 263 G CA 0.610 45.653 45.100 -0.096 0.000 0.979 263 G HN 1.268 nan 8.290 nan 0.000 0.557 264 D N 0.115 120.431 120.400 -0.140 0.000 2.427 264 D HA 0.405 5.045 4.640 -0.000 0.000 0.224 264 D C 0.941 177.127 176.300 -0.191 0.000 1.157 264 D CA 0.597 54.498 54.000 -0.166 0.000 0.828 264 D CB -0.238 40.510 40.800 -0.087 0.000 0.974 264 D HN 0.882 nan 8.370 nan 0.000 0.498 265 M N -0.929 118.542 119.600 -0.215 0.000 2.508 265 M HA 0.637 5.117 4.480 -0.000 0.000 0.327 265 M C -1.678 174.487 176.300 -0.224 0.000 1.160 265 M CA -0.716 54.536 55.300 -0.080 0.000 0.980 265 M CB 1.863 34.507 32.600 0.072 0.000 1.693 265 M HN -0.177 nan 8.290 nan 0.000 0.452 266 Y N 0.444 120.852 120.300 0.179 0.000 2.429 266 Y HA 0.593 5.143 4.550 -0.000 0.000 0.342 266 Y C -0.521 175.535 175.900 0.260 0.000 1.004 266 Y CA -0.564 57.653 58.100 0.196 0.000 1.075 266 Y CB 1.965 40.507 38.460 0.137 0.000 1.214 266 Y HN 0.706 nan 8.280 nan 0.000 0.455 267 Q N 1.694 121.775 119.800 0.468 0.000 2.303 267 Q HA 0.580 4.920 4.340 -0.000 0.000 0.257 267 Q C -0.079 176.219 176.000 0.498 0.000 0.941 267 Q CA -0.228 55.852 55.803 0.462 0.000 0.931 267 Q CB 1.246 30.268 28.738 0.474 0.000 1.215 267 Q HN 0.890 nan 8.270 nan 0.000 0.437 268 G N 2.727 111.792 108.800 0.442 0.000 2.782 268 G HA2 0.476 4.436 3.960 -0.000 0.000 0.201 268 G HA3 0.476 4.436 3.960 -0.000 0.000 0.201 268 G C -0.943 174.159 174.900 0.337 0.000 1.374 268 G CA -0.827 44.564 45.100 0.485 0.000 1.039 268 G HN 0.587 nan 8.290 nan 0.000 0.576 269 L N 1.232 122.627 121.223 0.286 0.000 2.288 269 L HA 0.446 4.786 4.340 -0.000 0.000 0.283 269 L C 1.356 178.303 176.870 0.128 0.000 1.072 269 L CA 0.510 55.394 54.840 0.075 0.000 0.862 269 L CB 0.468 42.579 42.059 0.087 0.000 1.245 269 L HN 1.048 nan 8.230 nan 0.000 0.432 270 G N 1.946 110.795 108.800 0.081 0.000 3.909 270 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 270 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 270 G C 0.077 175.067 174.900 0.151 0.000 1.404 270 G CA -0.233 44.917 45.100 0.084 0.000 0.905 270 G HN 0.494 nan 8.290 nan 0.000 0.589 271 W N 2.050 123.479 121.300 0.214 0.000 2.112 271 W HA 0.577 5.237 4.660 -0.000 0.000 0.349 271 W C 0.810 177.464 176.519 0.225 0.000 1.289 271 W CA -0.151 57.309 57.345 0.192 0.000 1.256 271 W CB 0.411 29.959 29.460 0.146 0.000 1.148 271 W HN 0.317 nan 8.180 nan 0.000 0.590 272 E N 1.212 121.750 120.200 0.564 0.000 2.317 272 E HA 0.522 4.872 4.350 -0.000 0.000 0.270 272 E C -0.945 175.950 176.600 0.490 0.000 0.885 272 E CA -1.085 55.603 56.400 0.479 0.000 0.760 272 E CB 1.934 31.883 29.700 0.414 0.000 1.227 272 E HN 0.159 nan 8.360 nan 0.000 0.434 273 M N 1.766 121.611 119.600 0.408 0.000 2.593 273 M HA 0.527 5.006 4.480 -0.000 0.000 0.290 273 M C -1.557 174.969 176.300 0.376 0.000 1.244 273 M CA -0.416 55.071 55.300 0.311 0.000 0.857 273 M CB 1.718 34.425 32.600 0.179 0.000 1.738 273 M HN 0.305 nan 8.290 nan 0.000 0.461 274 L N 0.496 121.906 121.223 0.312 0.000 2.409 274 L HA 0.524 4.864 4.340 -0.000 0.000 0.262 274 L C -0.839 176.205 176.870 0.289 0.000 0.992 274 L CA -0.648 54.376 54.840 0.307 0.000 0.817 274 L CB 2.025 44.178 42.059 0.156 0.000 1.350 274 L HN 0.564 nan 8.230 nan 0.000 0.411 275 D N 1.152 121.717 120.400 0.274 0.000 2.443 275 D HA -0.029 4.611 4.640 -0.000 0.000 0.239 275 D C -0.944 175.496 176.300 0.232 0.000 1.136 275 D CA 0.347 54.469 54.000 0.205 0.000 0.879 275 D CB 1.084 41.977 40.800 0.156 0.000 1.195 275 D HN 0.349 nan 8.370 nan 0.000 0.443 276 W N 4.328 125.688 121.300 0.099 0.000 2.606 276 W HA 0.311 4.970 4.660 -0.000 0.000 0.332 276 W C -2.346 174.228 176.519 0.092 0.000 1.052 276 W CA -1.831 55.593 57.345 0.132 0.000 1.223 276 W CB 1.190 30.748 29.460 0.164 0.000 1.383 276 W HN 0.242 nan 8.180 nan 0.000 0.524 277 P HA 0.132 nan 4.420 nan 0.000 0.272 277 P C -0.972 175.986 177.300 -0.570 0.000 1.230 277 P CA -0.108 62.144 63.100 -1.412 0.000 0.788 277 P CB 2.144 33.213 31.700 -1.052 0.000 0.949 278 V N 1.403 121.010 119.914 -0.511 0.000 2.975 278 V HA 0.322 4.442 4.120 -0.000 0.000 0.318 278 V C -0.024 175.760 176.094 -0.517 0.000 1.077 278 V CA -0.894 61.194 62.300 -0.354 0.000 1.000 278 V CB 1.711 33.339 31.823 -0.324 0.000 1.066 278 V HN 0.707 nan 8.190 nan 0.000 0.452 279 N N 4.813 123.233 118.700 -0.467 0.000 2.437 279 N HA 0.391 5.130 4.740 -0.000 0.000 0.243 279 N C -1.261 173.837 175.510 -0.686 0.000 1.041 279 N CA -1.959 50.796 53.050 -0.491 0.000 0.940 279 N CB 1.499 39.799 38.487 -0.311 0.000 1.133 279 N HN 0.376 nan 8.380 nan 0.000 0.506 280 P HA -0.203 nan 4.420 nan 0.000 0.217 280 P C 0.394 177.303 177.300 -0.652 0.000 1.151 280 P CA 1.286 63.634 63.100 -1.253 0.000 0.849 280 P CB 0.455 31.161 31.700 -1.657 0.000 0.787 281 D N -0.655 119.466 120.400 -0.465 0.000 2.149 281 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 281 D C 2.327 178.482 176.300 -0.242 0.000 0.990 281 D CA 1.320 55.148 54.000 -0.288 0.000 0.839 281 D CB -0.680 39.987 40.800 -0.221 0.000 0.948 281 D HN 0.110 nan 8.370 nan 0.000 0.460 282 S N -0.542 114.998 115.700 -0.268 0.000 2.368 282 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 282 S C 2.088 176.582 174.600 -0.177 0.000 1.029 282 S CA 1.155 59.234 58.200 -0.201 0.000 0.988 282 S CB -0.288 62.792 63.200 -0.200 0.000 0.838 282 S HN 0.443 nan 8.310 nan 0.000 0.462 283 I N -1.326 119.092 120.570 -0.253 0.000 2.406 283 I HA 0.045 4.215 4.170 -0.000 0.000 0.249 283 I C 2.104 178.168 176.117 -0.088 0.000 1.122 283 I CA 1.004 62.212 61.300 -0.152 0.000 1.431 283 I CB -0.492 37.330 38.000 -0.298 0.000 1.087 283 I HN 0.235 nan 8.210 nan 0.000 0.424 284 I N 2.216 122.688 120.570 -0.164 0.000 2.113 284 I HA -0.251 3.919 4.170 -0.000 0.000 0.238 284 I C 2.261 178.326 176.117 -0.088 0.000 1.070 284 I CA 1.621 62.851 61.300 -0.116 0.000 1.332 284 I CB -0.647 37.270 38.000 -0.138 0.000 1.044 284 I HN 0.330 nan 8.210 nan 0.000 0.402 285 N N 1.050 119.692 118.700 -0.097 0.000 2.396 285 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 285 N C 1.827 177.301 175.510 -0.060 0.000 1.028 285 N CA 1.318 54.323 53.050 -0.074 0.000 0.893 285 N CB -0.421 38.020 38.487 -0.078 0.000 0.967 285 N HN 0.428 nan 8.380 nan 0.000 0.440 286 G N 0.927 109.693 108.800 -0.057 0.000 2.432 286 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 286 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 286 G C 1.641 176.527 174.900 -0.022 0.000 1.135 286 G CA 1.154 46.235 45.100 -0.031 0.000 0.767 286 G HN 0.483 nan 8.290 nan 0.000 0.550 287 S N -0.096 115.591 115.700 -0.021 0.000 2.481 287 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 287 S C 0.868 175.426 174.600 -0.070 0.000 0.996 287 S CA 0.193 58.367 58.200 -0.044 0.000 0.942 287 S CB -0.072 63.095 63.200 -0.056 0.000 0.768 287 S HN 0.346 nan 8.310 nan 0.000 0.520 288 D N 2.173 122.537 120.400 -0.059 0.000 2.455 288 D HA 0.043 4.683 4.640 -0.000 0.000 0.241 288 D C 0.397 176.664 176.300 -0.055 0.000 1.138 288 D CA 0.059 54.027 54.000 -0.054 0.000 0.877 288 D CB 0.481 41.255 40.800 -0.042 0.000 1.187 288 D HN 0.079 nan 8.370 nan 0.000 0.451 289 N N 3.464 122.134 118.700 -0.050 0.000 2.348 289 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 289 N C 1.514 177.008 175.510 -0.027 0.000 1.019 289 N CA 0.437 53.460 53.050 -0.045 0.000 0.880 289 N CB -0.083 38.389 38.487 -0.025 0.000 0.965 289 N HN 0.580 nan 8.380 nan 0.000 0.437 290 K N 0.559 120.946 120.400 -0.023 0.000 2.074 290 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 290 K C 1.434 178.023 176.600 -0.019 0.000 1.048 290 K CA 1.009 57.287 56.287 -0.014 0.000 0.926 290 K CB 0.155 32.645 32.500 -0.016 0.000 0.713 290 K HN 0.042 nan 8.250 nan 0.000 0.444 291 I N 0.173 120.724 120.570 -0.032 0.000 2.681 291 I HA -0.014 4.156 4.170 -0.000 0.000 0.247 291 I C 2.417 178.505 176.117 -0.048 0.000 1.091 291 I CA 0.923 62.201 61.300 -0.036 0.000 1.442 291 I CB -1.357 36.619 38.000 -0.040 0.000 1.219 291 I HN 0.112 nan 8.210 nan 0.000 0.451 292 A N 0.847 123.624 122.820 -0.073 0.000 2.139 292 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 292 A C 2.056 179.558 177.584 -0.135 0.000 1.159 292 A CA 1.427 53.386 52.037 -0.129 0.000 0.662 292 A CB -0.666 18.222 19.000 -0.186 0.000 0.796 292 A HN 0.488 nan 8.150 nan 0.000 0.463 293 L N -1.728 119.462 121.223 -0.055 0.000 2.766 293 L HA 0.329 4.669 4.340 -0.000 0.000 0.242 293 L C 1.021 177.914 176.870 0.038 0.000 1.136 293 L CA -0.096 54.752 54.840 0.013 0.000 0.933 293 L CB 0.036 42.118 42.059 0.040 0.000 1.241 293 L HN 0.340 nan 8.230 nan 0.000 0.522 294 A N 0.709 123.536 122.820 0.012 0.000 2.271 294 A HA 0.739 5.059 4.320 -0.000 0.000 0.288 294 A C 0.327 177.914 177.584 0.004 0.000 1.094 294 A CA -0.137 51.913 52.037 0.023 0.000 0.828 294 A CB 0.586 19.588 19.000 0.003 0.000 1.091 294 A HN 0.170 nan 8.150 nan 0.000 0.493 295 A N 1.027 123.846 122.820 -0.002 0.000 2.388 295 A HA 0.630 4.950 4.320 -0.000 0.000 0.257 295 A C 0.332 177.807 177.584 -0.181 0.000 1.095 295 A CA -0.237 51.726 52.037 -0.124 0.000 0.791 295 A CB 0.183 19.039 19.000 -0.240 0.000 1.029 295 A HN 0.797 nan 8.150 nan 0.000 0.489 296 R N 2.201 122.569 120.500 -0.220 0.000 2.604 296 R HA 0.436 4.776 4.340 -0.000 0.000 0.281 296 R C -3.042 173.130 176.300 -0.215 0.000 1.020 296 R CA -1.898 54.094 56.100 -0.180 0.000 0.899 296 R CB 2.243 32.483 30.300 -0.099 0.000 1.205 296 R HN 0.536 nan 8.270 nan 0.000 0.450 297 P HA 0.032 nan 4.420 nan 0.000 0.269 297 P C -0.428 176.819 177.300 -0.089 0.000 1.209 297 P CA -0.198 62.804 63.100 -0.164 0.000 0.776 297 P CB 0.928 32.557 31.700 -0.119 0.000 0.876 298 V N -0.446 119.432 119.914 -0.060 0.000 2.735 298 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 298 V C -0.281 175.947 176.094 0.224 0.000 1.061 298 V CA -1.186 61.157 62.300 0.072 0.000 0.913 298 V CB 1.955 33.763 31.823 -0.025 0.000 1.005 298 V HN 0.575 nan 8.190 nan 0.000 0.428 299 K N 3.656 124.228 120.400 0.287 0.000 2.265 299 K HA 0.820 5.140 4.320 -0.000 0.000 0.267 299 K C -0.005 176.807 176.600 0.353 0.000 0.994 299 K CA -0.237 56.211 56.287 0.267 0.000 0.860 299 K CB 1.679 34.263 32.500 0.141 0.000 1.099 299 K HN 1.250 nan 8.250 nan 0.000 0.448 300 A N 5.194 128.181 122.820 0.278 0.000 2.462 300 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 300 A C -0.036 177.475 177.584 -0.122 0.000 1.076 300 A CA -0.326 51.626 52.037 -0.143 0.000 0.773 300 A CB -0.149 18.727 19.000 -0.207 0.000 1.010 300 A HN 0.828 nan 8.150 nan 0.000 0.493 301 I N 2.689 123.122 120.570 -0.228 0.000 2.307 301 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 301 I C -0.210 175.803 176.117 -0.173 0.000 1.054 301 I CA 0.045 61.270 61.300 -0.125 0.000 1.218 301 I CB 1.123 39.070 38.000 -0.087 0.000 1.398 301 I HN 0.524 nan 8.210 nan 0.000 0.475 302 T N 6.528 121.015 114.554 -0.113 0.000 2.874 302 T HA 0.397 4.747 4.350 -0.000 0.000 0.321 302 T C -1.607 173.053 174.700 -0.066 0.000 1.075 302 T CA -0.942 61.101 62.100 -0.095 0.000 0.966 302 T CB 0.637 69.467 68.868 -0.064 0.000 1.001 302 T HN 0.468 nan 8.240 nan 0.000 0.476 303 P HA 0.530 nan 4.420 nan 0.000 0.281 303 P C -2.990 174.228 177.300 -0.136 0.000 1.281 303 P CA -2.011 61.033 63.100 -0.093 0.000 0.811 303 P CB 0.023 31.684 31.700 -0.065 0.000 1.154 304 P HA 0.033 nan 4.420 nan 0.000 0.267 304 P C -0.309 176.843 177.300 -0.247 0.000 1.195 304 P CA 0.508 63.425 63.100 -0.304 0.000 0.773 304 P CB -0.039 31.365 31.700 -0.494 0.000 0.837 305 T N 4.169 118.564 114.554 -0.266 0.000 2.771 305 T HA 0.341 4.691 4.350 -0.000 0.000 0.291 305 T C -2.257 172.307 174.700 -0.227 0.000 0.954 305 T CA -1.315 60.658 62.100 -0.212 0.000 1.045 305 T CB 0.324 69.061 68.868 -0.217 0.000 0.917 305 T HN 0.242 nan 8.240 nan 0.000 0.484 306 P HA 0.197 nan 4.420 nan 0.000 0.269 306 P C -0.458 176.763 177.300 -0.132 0.000 1.209 306 P CA -0.401 62.615 63.100 -0.139 0.000 0.776 306 P CB 0.302 31.944 31.700 -0.096 0.000 0.876 307 A N 3.056 125.810 122.820 -0.111 0.000 2.600 307 A HA -0.031 4.289 4.320 -0.000 0.000 0.253 307 A C 0.233 177.759 177.584 -0.098 0.000 0.997 307 A CA 0.394 52.372 52.037 -0.097 0.000 0.820 307 A CB -0.833 18.125 19.000 -0.071 0.000 0.888 307 A HN 0.379 nan 8.150 nan 0.000 0.508 308 V N 5.739 125.588 119.914 -0.108 0.000 2.406 308 V HA 0.172 4.292 4.120 -0.000 0.000 0.272 308 V C 1.651 177.705 176.094 -0.068 0.000 1.043 308 V CA -0.200 62.045 62.300 -0.091 0.000 0.915 308 V CB 0.982 32.738 31.823 -0.112 0.000 0.988 308 V HN 1.083 nan 8.190 nan 0.000 0.466 309 R N 3.859 124.326 120.500 -0.055 0.000 2.081 309 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 309 R C 1.388 177.667 176.300 -0.036 0.000 1.131 309 R CA 1.386 57.453 56.100 -0.054 0.000 0.960 309 R CB -0.030 30.239 30.300 -0.050 0.000 0.856 309 R HN 0.805 nan 8.270 nan 0.000 0.436 310 A N 0.913 123.742 122.820 0.014 0.000 3.077 310 A HA 0.244 4.564 4.320 -0.000 0.000 0.255 310 A C -0.693 176.994 177.584 0.172 0.000 1.728 310 A CA 0.054 52.155 52.037 0.107 0.000 1.383 310 A CB 0.054 19.146 19.000 0.152 0.000 1.097 310 A HN 0.136 nan 8.150 nan 0.000 0.634 311 S N 0.171 115.926 115.700 0.092 0.000 2.599 311 S HA 0.571 5.041 4.470 -0.000 0.000 0.294 311 S C -0.972 173.689 174.600 0.102 0.000 1.094 311 S CA -0.582 57.691 58.200 0.122 0.000 0.931 311 S CB 1.268 64.459 63.200 -0.015 0.000 1.093 311 S HN 0.673 nan 8.310 nan 0.000 0.488 312 W N 3.558 124.869 121.300 0.019 0.000 2.291 312 W HA 0.574 5.234 4.660 -0.000 0.000 0.312 312 W C -1.891 174.472 176.519 -0.259 0.000 1.061 312 W CA -0.574 56.730 57.345 -0.068 0.000 1.296 312 W CB 0.635 30.172 29.460 0.128 0.000 1.223 312 W HN 0.334 nan 8.180 nan 0.000 0.421 313 V N 7.525 126.981 119.914 -0.763 0.000 2.435 313 V HA 0.455 4.575 4.120 -0.000 0.000 0.290 313 V C -0.040 175.614 176.094 -0.733 0.000 1.030 313 V CA -0.323 61.496 62.300 -0.802 0.000 0.881 313 V CB 1.272 32.148 31.823 -1.577 0.000 0.983 313 V HN 0.688 nan 8.190 nan 0.000 0.445 314 H N 2.429 121.375 119.070 -0.206 0.000 2.918 314 H HA 0.904 5.460 4.556 -0.000 0.000 0.303 314 H C -1.284 174.287 175.328 0.404 0.000 1.380 314 H CA -1.307 54.753 56.048 0.021 0.000 1.134 314 H CB 2.143 31.976 29.762 0.119 0.000 1.842 314 H HN 0.439 nan 8.280 nan 0.000 0.533 315 K N 1.061 121.588 120.400 0.212 0.000 2.579 315 K HA 0.258 4.578 4.320 -0.000 0.000 0.257 315 K C -1.439 175.301 176.600 0.233 0.000 0.950 315 K CA 0.025 56.401 56.287 0.149 0.000 0.862 315 K CB 1.970 34.573 32.500 0.171 0.000 1.317 315 K HN 0.941 nan 8.250 nan 0.000 0.436 316 T N -0.111 114.578 114.554 0.225 0.000 2.927 316 T HA 0.896 5.246 4.350 -0.000 0.000 0.281 316 T C 0.276 175.091 174.700 0.192 0.000 0.998 316 T CA -0.524 61.752 62.100 0.294 0.000 1.019 316 T CB 1.707 70.652 68.868 0.129 0.000 1.061 316 T HN 0.664 nan 8.240 nan 0.000 0.518 317 G N -0.848 108.065 108.800 0.187 0.000 2.759 317 G HA2 0.730 4.690 3.960 -0.000 0.000 0.297 317 G HA3 0.730 4.690 3.960 -0.000 0.000 0.297 317 G C -1.571 173.426 174.900 0.162 0.000 1.434 317 G CA -0.529 44.681 45.100 0.182 0.000 0.980 317 G HN 1.145 nan 8.290 nan 0.000 0.531 318 A N 0.641 123.553 122.820 0.154 0.000 2.589 318 A HA 0.956 5.276 4.320 -0.000 0.000 0.296 318 A C -0.016 177.650 177.584 0.136 0.000 1.062 318 A CA 0.126 52.256 52.037 0.154 0.000 0.686 318 A CB 1.503 20.565 19.000 0.102 0.000 1.282 318 A HN 1.860 nan 8.150 nan 0.000 0.404 319 T N -1.657 113.009 114.554 0.186 0.000 2.762 319 T HA 0.633 4.983 4.350 -0.000 0.000 0.272 319 T C 1.365 176.157 174.700 0.154 0.000 0.982 319 T CA 0.146 62.327 62.100 0.135 0.000 1.013 319 T CB 0.949 69.930 68.868 0.189 0.000 1.309 319 T HN 1.569 nan 8.240 nan 0.000 0.572 320 G N -0.738 108.137 108.800 0.126 0.000 2.479 320 G HA2 0.234 4.194 3.960 -0.000 0.000 0.220 320 G HA3 0.234 4.194 3.960 -0.000 0.000 0.220 320 G C 1.000 175.996 174.900 0.161 0.000 1.115 320 G CA 0.511 45.682 45.100 0.119 0.000 0.757 320 G HN 1.210 nan 8.290 nan 0.000 0.560 321 G N -1.501 107.451 108.800 0.253 0.000 3.815 321 G HA2 0.480 4.440 3.960 -0.000 0.000 0.265 321 G HA3 0.480 4.440 3.960 -0.000 0.000 0.265 321 G C -0.461 174.523 174.900 0.140 0.000 1.026 321 G CA -0.444 44.768 45.100 0.186 0.000 0.868 321 G HN 0.149 nan 8.290 nan 0.000 0.476 322 F N -0.148 119.920 119.950 0.197 0.000 2.611 322 F HA 0.776 5.303 4.527 -0.000 0.000 0.324 322 F C 0.403 176.329 175.800 0.211 0.000 1.061 322 F CA -0.960 57.190 58.000 0.249 0.000 0.954 322 F CB 2.491 41.654 39.000 0.271 0.000 1.301 322 F HN 0.038 nan 8.300 nan 0.000 0.482 323 G N 0.501 109.578 108.800 0.462 0.000 2.741 323 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 323 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 323 G C -1.704 173.365 174.900 0.281 0.000 1.457 323 G CA -0.682 44.565 45.100 0.246 0.000 1.098 323 G HN 0.764 nan 8.290 nan 0.000 0.536 324 S N 0.783 116.617 115.700 0.223 0.000 2.627 324 S HA 0.878 5.348 4.470 -0.000 0.000 0.283 324 S C -1.494 173.297 174.600 0.320 0.000 1.127 324 S CA -1.016 57.341 58.200 0.261 0.000 0.863 324 S CB 2.553 65.901 63.200 0.247 0.000 1.121 324 S HN 1.327 nan 8.310 nan 0.000 0.479 325 Y N -0.228 120.178 120.300 0.178 0.000 2.558 325 Y HA 0.628 5.178 4.550 -0.000 0.000 0.333 325 Y C -2.096 173.958 175.900 0.256 0.000 1.125 325 Y CA -0.839 57.382 58.100 0.202 0.000 1.039 325 Y CB 1.539 40.111 38.460 0.187 0.000 1.331 325 Y HN 0.813 nan 8.280 nan 0.000 0.456 326 V N 3.529 123.262 119.914 -0.303 0.000 2.808 326 V HA 0.991 5.111 4.120 -0.000 0.000 0.308 326 V C -0.966 174.878 176.094 -0.418 0.000 1.099 326 V CA -0.291 61.938 62.300 -0.118 0.000 0.920 326 V CB 1.469 33.483 31.823 0.317 0.000 1.014 326 V HN 1.099 nan 8.190 nan 0.000 0.425 327 A N 4.211 126.834 122.820 -0.328 0.000 2.566 327 A HA 1.032 5.352 4.320 -0.000 0.000 0.297 327 A C -1.396 175.892 177.584 -0.492 0.000 1.059 327 A CA -0.536 51.150 52.037 -0.586 0.000 0.691 327 A CB 1.857 20.463 19.000 -0.658 0.000 1.282 327 A HN 1.701 nan 8.150 nan 0.000 0.401 328 F N -0.842 118.647 119.950 -0.768 0.000 2.693 328 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 328 F C -1.475 173.931 175.800 -0.657 0.000 1.129 328 F CA -1.211 56.405 58.000 -0.640 0.000 0.948 328 F CB 1.181 39.886 39.000 -0.492 0.000 1.315 328 F HN 0.312 nan 8.300 nan 0.000 0.447 329 I N 2.525 122.875 120.570 -0.366 0.000 2.464 329 I HA 0.328 4.498 4.170 -0.000 0.000 0.277 329 I C -2.125 173.842 176.117 -0.250 0.000 1.040 329 I CA -1.863 59.181 61.300 -0.426 0.000 1.153 329 I CB 1.745 39.306 38.000 -0.731 0.000 1.274 329 I HN 0.381 nan 8.210 nan 0.000 0.469 330 P HA -0.245 nan 4.420 nan 0.000 0.216 330 P C 1.721 178.934 177.300 -0.145 0.000 1.157 330 P CA 2.111 65.147 63.100 -0.107 0.000 0.880 330 P CB 0.312 31.968 31.700 -0.073 0.000 0.791 331 E N 0.721 120.829 120.200 -0.154 0.000 2.049 331 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 331 E C 1.827 178.333 176.600 -0.157 0.000 1.007 331 E CA 1.618 57.943 56.400 -0.126 0.000 0.809 331 E CB -1.550 28.099 29.700 -0.085 0.000 0.749 331 E HN 0.239 nan 8.360 nan 0.000 0.450 332 K N 0.023 120.280 120.400 -0.240 0.000 2.486 332 K HA -0.017 4.303 4.320 -0.000 0.000 0.194 332 K C 0.264 176.726 176.600 -0.230 0.000 1.033 332 K CA 0.709 56.852 56.287 -0.239 0.000 1.004 332 K CB 0.415 32.719 32.500 -0.327 0.000 0.798 332 K HN 0.567 nan 8.250 nan 0.000 0.495 333 E N -0.143 119.932 120.200 -0.207 0.000 2.586 333 E HA -0.241 4.109 4.350 -0.000 0.000 0.259 333 E C -0.385 176.089 176.600 -0.210 0.000 1.107 333 E CA 0.486 56.768 56.400 -0.196 0.000 0.754 333 E CB -1.971 27.615 29.700 -0.189 0.000 1.335 333 E HN 0.162 nan 8.360 nan 0.000 0.411 334 L N -0.837 120.258 121.223 -0.214 0.000 2.370 334 L HA 0.833 5.173 4.340 -0.000 0.000 0.266 334 L C 0.206 176.981 176.870 -0.157 0.000 1.002 334 L CA 0.416 55.147 54.840 -0.182 0.000 0.818 334 L CB 2.189 44.121 42.059 -0.212 0.000 1.325 334 L HN 0.075 nan 8.230 nan 0.000 0.418 335 G N 3.471 112.216 108.800 -0.093 0.000 2.495 335 G HA2 0.572 4.532 3.960 -0.000 0.000 0.294 335 G HA3 0.572 4.532 3.960 -0.000 0.000 0.294 335 G C -2.247 172.648 174.900 -0.010 0.000 1.397 335 G CA -0.288 44.771 45.100 -0.068 0.000 0.790 335 G HN 0.879 nan 8.290 nan 0.000 0.486 336 I N -0.599 119.976 120.570 0.008 0.000 2.842 336 I HA 0.633 4.803 4.170 -0.000 0.000 0.297 336 I C -1.505 174.680 176.117 0.114 0.000 1.380 336 I CA -0.948 60.401 61.300 0.081 0.000 1.018 336 I CB 2.235 40.297 38.000 0.103 0.000 1.311 336 I HN 0.441 nan 8.210 nan 0.000 0.439 337 V N 7.151 127.171 119.914 0.176 0.000 2.588 337 V HA 0.539 4.659 4.120 -0.000 0.000 0.304 337 V C -0.445 175.789 176.094 0.233 0.000 1.042 337 V CA -0.437 61.987 62.300 0.206 0.000 0.877 337 V CB 1.878 33.839 31.823 0.230 0.000 0.996 337 V HN 0.635 nan 8.190 nan 0.000 0.425 338 M N 6.096 125.847 119.600 0.252 0.000 2.253 338 M HA 0.651 5.131 4.480 -0.000 0.000 0.314 338 M C -1.450 174.968 176.300 0.196 0.000 1.019 338 M CA -0.304 55.150 55.300 0.257 0.000 0.932 338 M CB 2.007 34.812 32.600 0.342 0.000 1.606 338 M HN 0.402 nan 8.290 nan 0.000 0.430 339 L N 2.831 124.090 121.223 0.060 0.000 2.406 339 L HA 0.926 5.266 4.340 -0.000 0.000 0.272 339 L C -0.652 176.164 176.870 -0.090 0.000 0.980 339 L CA -0.669 54.092 54.840 -0.133 0.000 0.831 339 L CB 1.804 43.459 42.059 -0.672 0.000 1.253 339 L HN 0.791 nan 8.230 nan 0.000 0.406 340 A N 2.118 125.098 122.820 0.267 0.000 2.413 340 A HA 0.539 4.859 4.320 -0.000 0.000 0.307 340 A C 0.041 177.935 177.584 0.515 0.000 1.087 340 A CA -0.761 51.516 52.037 0.400 0.000 0.750 340 A CB 1.278 20.522 19.000 0.407 0.000 1.296 340 A HN 0.810 nan 8.150 nan 0.000 0.423 341 N N 0.764 119.671 118.700 0.344 0.000 2.327 341 N HA 0.093 4.833 4.740 -0.000 0.000 0.231 341 N C -0.295 175.139 175.510 -0.128 0.000 1.130 341 N CA 0.002 52.941 53.050 -0.185 0.000 0.845 341 N CB 0.525 38.991 38.487 -0.034 0.000 1.073 341 N HN 0.555 nan 8.380 nan 0.000 0.496 342 K N 0.666 121.137 120.400 0.119 0.000 2.498 342 K HA 0.163 4.483 4.320 -0.000 0.000 0.254 342 K C -1.446 175.336 176.600 0.304 0.000 0.933 342 K CA -0.699 55.695 56.287 0.177 0.000 0.806 342 K CB 1.576 34.178 32.500 0.170 0.000 1.301 342 K HN -0.173 nan 8.250 nan 0.000 0.432 343 N N 3.817 122.658 118.700 0.236 0.000 2.605 343 N HA 0.069 4.809 4.740 -0.000 0.000 0.258 343 N C -1.482 174.160 175.510 0.220 0.000 1.156 343 N CA -0.146 53.030 53.050 0.210 0.000 1.008 343 N CB -0.227 38.349 38.487 0.149 0.000 1.354 343 N HN 0.409 nan 8.380 nan 0.000 0.509 344 Y N 1.320 121.669 120.300 0.081 0.000 2.387 344 Y HA 0.694 5.243 4.550 -0.000 0.000 0.330 344 Y C -2.423 173.503 175.900 0.043 0.000 1.133 344 Y CA -3.579 54.553 58.100 0.053 0.000 1.152 344 Y CB -0.374 38.112 38.460 0.043 0.000 1.215 344 Y HN 0.262 nan 8.280 nan 0.000 0.466 345 P HA -0.126 nan 4.420 nan 0.000 0.260 345 P C 0.345 177.556 177.300 -0.148 0.000 1.147 345 P CA 0.668 63.745 63.100 -0.038 0.000 0.758 345 P CB 0.632 32.350 31.700 0.030 0.000 0.744 346 N N 5.234 123.841 118.700 -0.155 0.000 2.060 346 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 346 N C -0.812 174.596 175.510 -0.169 0.000 1.028 346 N CA 1.946 54.882 53.050 -0.191 0.000 0.861 346 N CB -1.775 36.629 38.487 -0.137 0.000 1.029 346 N HN 0.447 nan 8.380 nan 0.000 0.428 347 P HA -0.124 nan 4.420 nan 0.000 0.216 347 P C 1.189 178.462 177.300 -0.045 0.000 1.153 347 P CA 1.821 64.878 63.100 -0.072 0.000 0.858 347 P CB -0.107 31.567 31.700 -0.044 0.000 0.789 348 A N 0.153 122.972 122.820 -0.003 0.000 1.865 348 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 348 A C 2.217 179.863 177.584 0.104 0.000 1.191 348 A CA 1.932 54.021 52.037 0.087 0.000 0.623 348 A CB -1.152 17.982 19.000 0.224 0.000 0.826 348 A HN 0.121 nan 8.150 nan 0.000 0.444 349 R N -0.577 119.937 120.500 0.023 0.000 2.083 349 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 349 R C 2.010 178.255 176.300 -0.091 0.000 1.137 349 R CA 1.592 57.695 56.100 0.004 0.000 0.951 349 R CB -0.883 29.283 30.300 -0.223 0.000 0.851 349 R HN 0.398 nan 8.270 nan 0.000 0.434 350 V N 1.718 121.459 119.914 -0.287 0.000 2.295 350 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 350 V C 2.070 178.247 176.094 0.138 0.000 1.049 350 V CA 2.082 64.272 62.300 -0.182 0.000 1.024 350 V CB -0.603 31.110 31.823 -0.183 0.000 0.648 350 V HN 0.273 nan 8.190 nan 0.000 0.447 351 D N 0.563 121.013 120.400 0.084 0.000 2.106 351 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 351 D C 2.172 178.605 176.300 0.222 0.000 0.997 351 D CA 1.950 56.035 54.000 0.142 0.000 0.834 351 D CB -0.218 40.626 40.800 0.074 0.000 0.956 351 D HN 0.367 nan 8.370 nan 0.000 0.448 352 A N 0.532 123.455 122.820 0.172 0.000 1.908 352 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 352 A C 2.390 180.108 177.584 0.224 0.000 1.181 352 A CA 2.692 54.825 52.037 0.161 0.000 0.627 352 A CB -0.949 18.126 19.000 0.124 0.000 0.818 352 A HN 0.332 nan 8.150 nan 0.000 0.445 353 A N -1.265 121.756 122.820 0.335 0.000 1.930 353 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 353 A C 2.096 179.989 177.584 0.516 0.000 1.175 353 A CA 1.296 53.601 52.037 0.446 0.000 0.627 353 A CB -0.863 18.559 19.000 0.703 0.000 0.815 353 A HN 0.894 nan 8.150 nan 0.000 0.443 354 W N 0.816 122.355 121.300 0.398 0.000 2.355 354 W HA -0.198 4.462 4.660 -0.000 0.000 0.309 354 W C 1.824 178.489 176.519 0.243 0.000 1.206 354 W CA 2.021 59.570 57.345 0.340 0.000 1.284 354 W CB -0.376 29.128 29.460 0.073 0.000 1.145 354 W HN 0.376 nan 8.180 nan 0.000 0.502 355 Q N 0.868 120.754 119.800 0.143 0.000 2.062 355 Q HA -0.248 4.092 4.340 -0.000 0.000 0.209 355 Q C 2.306 178.272 176.000 -0.058 0.000 0.996 355 Q CA 2.439 58.246 55.803 0.006 0.000 0.859 355 Q CB -1.120 27.675 28.738 0.094 0.000 0.920 355 Q HN 0.495 nan 8.270 nan 0.000 0.415 356 I N 0.373 120.956 120.570 0.022 0.000 2.113 356 I HA -0.288 3.882 4.170 -0.000 0.000 0.238 356 I C 2.445 178.556 176.117 -0.009 0.000 1.070 356 I CA 1.043 62.349 61.300 0.010 0.000 1.332 356 I CB -0.455 37.570 38.000 0.041 0.000 1.044 356 I HN 0.144 nan 8.210 nan 0.000 0.402 357 L N 0.412 121.650 121.223 0.024 0.000 2.046 357 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 357 L C 2.300 179.118 176.870 -0.086 0.000 1.077 357 L CA 1.493 56.338 54.840 0.008 0.000 0.747 357 L CB -0.795 41.329 42.059 0.107 0.000 0.896 357 L HN 0.331 nan 8.230 nan 0.000 0.432 358 N N 0.218 118.724 118.700 -0.322 0.000 2.289 358 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 358 N C 1.689 177.099 175.510 -0.166 0.000 1.016 358 N CA 1.255 54.048 53.050 -0.429 0.000 0.872 358 N CB 0.038 37.899 38.487 -1.043 0.000 0.973 358 N HN 0.296 nan 8.380 nan 0.000 0.433 359 A N -0.214 122.533 122.820 -0.122 0.000 2.014 359 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 359 A C 1.981 179.567 177.584 0.002 0.000 1.163 359 A CA 0.668 52.677 52.037 -0.046 0.000 0.652 359 A CB -0.334 18.642 19.000 -0.039 0.000 0.808 359 A HN 0.331 nan 8.150 nan 0.000 0.449 360 L N -2.150 119.089 121.223 0.027 0.000 2.446 360 L HA 0.180 4.520 4.340 -0.000 0.000 0.219 360 L C 0.906 177.863 176.870 0.145 0.000 1.116 360 L CA 0.336 55.248 54.840 0.121 0.000 0.844 360 L CB -0.079 42.094 42.059 0.190 0.000 0.970 360 L HN 0.469 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.844 119.800 0.073 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.847 55.803 0.073 0.000 1.022 361 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481