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 2hds_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.431 177.584 -0.255 0.000 1.274 4 A CA 0.000 51.903 52.037 -0.223 0.000 0.836 4 A CB 0.000 18.846 19.000 -0.257 0.000 0.831 5 P HA 0.039 nan 4.420 nan 0.000 0.263 5 P C 0.587 177.754 177.300 -0.221 0.000 1.175 5 P CA 0.108 63.031 63.100 -0.295 0.000 0.761 5 P CB 0.530 31.976 31.700 -0.423 0.000 0.794 6 Q N 2.995 122.712 119.800 -0.137 0.000 2.135 6 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 6 Q C 1.673 177.611 176.000 -0.103 0.000 0.981 6 Q CA 1.795 57.544 55.803 -0.089 0.000 0.856 6 Q CB -0.054 28.649 28.738 -0.057 0.000 0.902 6 Q HN 0.558 nan 8.270 nan 0.000 0.425 7 Q N -0.077 119.634 119.800 -0.147 0.000 2.124 7 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 7 Q C 2.101 178.000 176.000 -0.169 0.000 0.977 7 Q CA 1.406 57.121 55.803 -0.148 0.000 0.850 7 Q CB -0.665 27.974 28.738 -0.165 0.000 0.901 7 Q HN 0.505 nan 8.270 nan 0.000 0.429 8 I N 1.522 121.950 120.570 -0.238 0.000 2.193 8 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 8 I C 2.262 178.321 176.117 -0.097 0.000 1.084 8 I CA 0.954 62.136 61.300 -0.196 0.000 1.365 8 I CB -0.531 37.309 38.000 -0.267 0.000 1.064 8 I HN 0.199 nan 8.210 nan 0.000 0.410 9 N N 0.919 119.608 118.700 -0.019 0.000 2.094 9 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 9 N C 1.527 177.043 175.510 0.010 0.000 1.023 9 N CA 2.053 55.138 53.050 0.057 0.000 0.857 9 N CB -0.401 38.131 38.487 0.076 0.000 1.013 9 N HN 0.391 nan 8.380 nan 0.000 0.426 10 D N 0.736 121.134 120.400 -0.003 0.000 2.084 10 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 10 D C 1.918 178.225 176.300 0.012 0.000 0.990 10 D CA 0.535 54.550 54.000 0.025 0.000 0.826 10 D CB -0.153 40.647 40.800 0.000 0.000 0.971 10 D HN 0.085 nan 8.370 nan 0.000 0.453 11 I N -0.225 120.323 120.570 -0.037 0.000 2.315 11 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 11 I C 2.093 178.182 176.117 -0.047 0.000 1.117 11 I CA 0.756 62.031 61.300 -0.042 0.000 1.404 11 I CB -0.163 37.803 38.000 -0.058 0.000 1.071 11 I HN -0.036 nan 8.210 nan 0.000 0.419 12 V N 0.098 119.947 119.914 -0.108 0.000 2.295 12 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 12 V C 2.532 178.643 176.094 0.029 0.000 1.049 12 V CA 2.307 64.511 62.300 -0.159 0.000 1.024 12 V CB -1.045 30.411 31.823 -0.612 0.000 0.648 12 V HN 0.533 nan 8.190 nan 0.000 0.447 13 H N 0.510 119.558 119.070 -0.037 0.000 2.423 13 H HA -0.034 4.522 4.556 -0.000 0.000 0.297 13 H C 2.381 177.740 175.328 0.051 0.000 1.075 13 H CA 1.651 57.747 56.048 0.080 0.000 1.342 13 H CB -0.037 29.770 29.762 0.075 0.000 1.395 13 H HN 0.269 nan 8.280 nan 0.000 0.530 14 R N -1.192 119.304 120.500 -0.006 0.000 2.193 14 R HA 0.004 4.344 4.340 -0.000 0.000 0.213 14 R C 1.368 177.628 176.300 -0.066 0.000 1.055 14 R CA 1.450 57.504 56.100 -0.076 0.000 0.995 14 R CB 0.338 30.618 30.300 -0.033 0.000 0.893 14 R HN 0.322 nan 8.270 nan 0.000 0.459 15 T N 0.331 114.860 114.554 -0.042 0.000 3.111 15 T HA 0.129 4.479 4.350 -0.000 0.000 0.236 15 T C 1.731 176.383 174.700 -0.080 0.000 0.984 15 T CA 0.146 62.223 62.100 -0.039 0.000 1.195 15 T CB 0.214 69.076 68.868 -0.010 0.000 0.929 15 T HN -0.060 nan 8.240 nan 0.000 0.431 16 I N 2.231 122.742 120.570 -0.099 0.000 2.286 16 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 16 I C 2.571 178.452 176.117 -0.393 0.000 1.104 16 I CA 1.385 62.524 61.300 -0.268 0.000 1.397 16 I CB -1.796 35.982 38.000 -0.370 0.000 1.072 16 I HN 0.259 nan 8.210 nan 0.000 0.417 17 T N 2.183 116.625 114.554 -0.186 0.000 2.684 17 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 17 T C -0.305 174.287 174.700 -0.181 0.000 1.036 17 T CA 1.609 63.626 62.100 -0.138 0.000 1.148 17 T CB -1.306 67.661 68.868 0.165 0.000 0.863 17 T HN 0.242 nan 8.240 nan 0.000 0.436 18 P HA 0.043 nan 4.420 nan 0.000 0.219 18 P C 1.624 178.838 177.300 -0.143 0.000 1.150 18 P CA 0.380 63.404 63.100 -0.128 0.000 0.814 18 P CB -0.165 31.474 31.700 -0.102 0.000 0.787 19 L N -0.457 120.661 121.223 -0.174 0.000 2.042 19 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 19 L C 2.130 178.838 176.870 -0.269 0.000 1.076 19 L CA 1.850 56.575 54.840 -0.193 0.000 0.749 19 L CB -1.148 40.793 42.059 -0.196 0.000 0.893 19 L HN -0.137 nan 8.230 nan 0.000 0.432 20 I N -0.589 119.781 120.570 -0.334 0.000 2.226 20 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 20 I C 2.420 178.416 176.117 -0.203 0.000 1.100 20 I CA 1.004 62.108 61.300 -0.326 0.000 1.374 20 I CB -0.441 37.312 38.000 -0.412 0.000 1.057 20 I HN 0.315 nan 8.210 nan 0.000 0.413 21 E N 0.655 120.763 120.200 -0.153 0.000 2.051 21 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 21 E C 2.179 178.727 176.600 -0.087 0.000 0.991 21 E CA 1.314 57.658 56.400 -0.095 0.000 0.799 21 E CB -0.357 29.302 29.700 -0.069 0.000 0.748 21 E HN 0.593 nan 8.360 nan 0.000 0.449 22 Q N 0.106 119.850 119.800 -0.094 0.000 2.119 22 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 22 Q C 1.884 177.844 176.000 -0.067 0.000 0.972 22 Q CA 0.996 56.758 55.803 -0.068 0.000 0.847 22 Q CB 0.114 28.815 28.738 -0.061 0.000 0.903 22 Q HN 0.165 nan 8.270 nan 0.000 0.433 23 Q N 0.073 119.806 119.800 -0.113 0.000 2.319 23 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 23 Q C -0.341 175.604 176.000 -0.092 0.000 0.896 23 Q CA 0.161 55.901 55.803 -0.105 0.000 0.942 23 Q CB 0.690 29.290 28.738 -0.230 0.000 1.083 23 Q HN 0.274 nan 8.270 nan 0.000 0.510 24 K N 0.864 121.207 120.400 -0.094 0.000 3.148 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.267 24 K C -0.504 176.051 176.600 -0.074 0.000 0.996 24 K CA 0.259 56.504 56.287 -0.070 0.000 0.737 24 K CB -1.942 30.535 32.500 -0.039 0.000 1.308 24 K HN 0.268 nan 8.250 nan 0.000 0.470 25 I N 0.884 121.381 120.570 -0.123 0.000 2.471 25 I HA 0.010 4.180 4.170 -0.000 0.000 0.286 25 I C -0.973 175.119 176.117 -0.041 0.000 1.079 25 I CA -1.972 59.271 61.300 -0.096 0.000 1.398 25 I CB 0.809 38.683 38.000 -0.210 0.000 1.403 25 I HN -0.002 nan 8.210 nan 0.000 0.530 26 P HA 0.031 nan 4.420 nan 0.000 0.218 26 P C 0.291 177.646 177.300 0.092 0.000 1.152 26 P CA 0.425 63.521 63.100 -0.006 0.000 0.826 26 P CB 0.353 31.963 31.700 -0.150 0.000 0.790 27 G N -1.018 107.889 108.800 0.178 0.000 2.746 27 G HA2 0.644 4.604 3.960 -0.000 0.000 0.297 27 G HA3 0.644 4.604 3.960 -0.000 0.000 0.297 27 G C -1.932 173.204 174.900 0.395 0.000 1.426 27 G CA -0.297 44.979 45.100 0.293 0.000 0.989 27 G HN -0.007 nan 8.290 nan 0.000 0.520 28 M N 1.594 121.461 119.600 0.444 0.000 2.413 28 M HA 0.823 5.303 4.480 -0.000 0.000 0.287 28 M C -1.385 175.239 176.300 0.539 0.000 1.186 28 M CA -0.440 55.095 55.300 0.393 0.000 0.927 28 M CB 2.245 34.922 32.600 0.127 0.000 1.715 28 M HN 1.310 nan 8.290 nan 0.000 0.478 29 A N 3.363 126.379 122.820 0.326 0.000 2.371 29 A HA 0.895 5.215 4.320 -0.000 0.000 0.311 29 A C -1.723 176.069 177.584 0.347 0.000 1.068 29 A CA -0.657 51.603 52.037 0.372 0.000 0.744 29 A CB 1.631 20.795 19.000 0.273 0.000 1.239 29 A HN 0.778 nan 8.150 nan 0.000 0.435 30 V N 1.032 121.259 119.914 0.521 0.000 2.709 30 V HA 0.785 4.905 4.120 -0.000 0.000 0.308 30 V C 0.124 176.516 176.094 0.496 0.000 1.062 30 V CA -0.275 62.312 62.300 0.478 0.000 0.901 30 V CB 1.813 33.962 31.823 0.542 0.000 1.003 30 V HN 1.381 nan 8.190 nan 0.000 0.425 31 A N 4.085 127.119 122.820 0.355 0.000 2.330 31 A HA 0.868 5.188 4.320 -0.000 0.000 0.313 31 A C -0.970 176.727 177.584 0.188 0.000 1.124 31 A CA -0.544 51.622 52.037 0.215 0.000 0.774 31 A CB 1.603 20.677 19.000 0.124 0.000 1.198 31 A HN 0.671 nan 8.150 nan 0.000 0.465 32 V N 4.289 124.327 119.914 0.207 0.000 2.398 32 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 32 V C -0.294 175.901 176.094 0.169 0.000 1.026 32 V CA -0.494 61.929 62.300 0.205 0.000 0.868 32 V CB 1.384 33.364 31.823 0.261 0.000 0.982 32 V HN 0.718 nan 8.190 nan 0.000 0.443 33 I N 5.391 126.027 120.570 0.111 0.000 2.304 33 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 33 I C -0.824 175.397 176.117 0.174 0.000 1.018 33 I CA -0.303 61.039 61.300 0.070 0.000 1.260 33 I CB 0.966 38.948 38.000 -0.029 0.000 1.390 33 I HN 0.683 nan 8.210 nan 0.000 0.475 34 Y N 7.213 127.574 120.300 0.102 0.000 2.346 34 Y HA 0.341 4.891 4.550 0.000 0.000 0.332 34 Y C 0.529 176.480 175.900 0.085 0.000 0.985 34 Y CA -0.273 57.888 58.100 0.101 0.000 1.112 34 Y CB 1.098 39.647 38.460 0.148 0.000 1.170 34 Y HN 0.823 nan 8.280 nan 0.000 0.447 35 Q N 2.872 122.395 119.800 -0.460 0.000 1.659 35 Q HA -0.272 4.068 4.340 -0.000 0.000 0.347 35 Q C 0.430 176.334 176.000 -0.160 0.000 0.831 35 Q CA 1.574 57.164 55.803 -0.355 0.000 0.873 35 Q CB -1.564 26.929 28.738 -0.408 0.000 3.305 35 Q HN 1.057 nan 8.270 nan 0.000 0.659 36 G N 1.138 109.880 108.800 -0.097 0.000 3.959 36 G HA2 0.419 4.379 3.960 -0.000 0.000 0.298 36 G HA3 0.419 4.379 3.960 -0.000 0.000 0.298 36 G C -0.601 174.253 174.900 -0.078 0.000 1.211 36 G CA -0.107 44.942 45.100 -0.085 0.000 1.001 36 G HN 0.102 nan 8.290 nan 0.000 0.561 37 K N 0.851 121.213 120.400 -0.062 0.000 2.542 37 K HA 0.354 4.674 4.320 -0.000 0.000 0.259 37 K C -3.257 173.146 176.600 -0.328 0.000 0.932 37 K CA -1.605 54.580 56.287 -0.170 0.000 0.820 37 K CB 3.566 35.968 32.500 -0.164 0.000 1.345 37 K HN -0.070 nan 8.250 nan 0.000 0.432 38 P HA 0.315 nan 4.420 nan 0.000 0.292 38 P C -1.458 175.209 177.300 -1.055 0.000 1.283 38 P CA -0.449 62.285 63.100 -0.608 0.000 0.835 38 P CB 0.618 31.997 31.700 -0.535 0.000 1.017 39 Y N 1.148 121.184 120.300 -0.440 0.000 2.391 39 Y HA 0.451 5.001 4.550 -0.000 0.000 0.341 39 Y C -0.102 175.492 175.900 -0.510 0.000 0.965 39 Y CA -0.551 57.321 58.100 -0.381 0.000 1.067 39 Y CB 1.784 40.188 38.460 -0.092 0.000 1.199 39 Y HN 0.281 nan 8.280 nan 0.000 0.450 40 Y N 2.603 122.746 120.300 -0.263 0.000 2.446 40 Y HA 0.694 5.244 4.550 0.000 0.000 0.338 40 Y C -1.013 174.447 175.900 -0.732 0.000 1.055 40 Y CA -1.567 56.379 58.100 -0.258 0.000 1.101 40 Y CB 1.406 39.785 38.460 -0.135 0.000 1.221 40 Y HN 0.387 nan 8.280 nan 0.000 0.460 41 F N 0.192 120.238 119.950 0.159 0.000 2.581 41 F HA 0.641 5.168 4.527 -0.000 0.000 0.311 41 F C -0.332 175.369 175.800 -0.166 0.000 1.113 41 F CA -0.961 56.947 58.000 -0.153 0.000 0.935 41 F CB 2.369 41.248 39.000 -0.202 0.000 1.232 41 F HN 0.403 nan 8.300 nan 0.000 0.445 42 T N -1.553 112.841 114.554 -0.267 0.000 2.903 42 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 42 T C -1.570 173.020 174.700 -0.182 0.000 1.093 42 T CA -0.809 61.295 62.100 0.007 0.000 1.002 42 T CB 2.002 70.930 68.868 0.100 0.000 1.127 42 T HN 0.611 nan 8.240 nan 0.000 0.488 43 W N 0.282 121.661 121.300 0.132 0.000 3.138 43 W HA 0.494 5.153 4.660 -0.000 0.000 0.331 43 W C 0.733 177.262 176.519 0.016 0.000 1.166 43 W CA -0.312 57.071 57.345 0.063 0.000 1.212 43 W CB 1.828 31.327 29.460 0.065 0.000 1.399 43 W HN 1.408 nan 8.180 nan 0.000 0.514 44 G N 1.575 110.430 108.800 0.092 0.000 2.562 44 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.250 44 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.250 44 G C -1.648 173.146 174.900 -0.176 0.000 1.269 44 G CA -0.388 44.619 45.100 -0.156 0.000 0.919 44 G HN 0.561 nan 8.290 nan 0.000 0.574 45 Y N 0.110 120.494 120.300 0.140 0.000 2.409 45 Y HA 0.569 5.119 4.550 0.000 0.000 0.343 45 Y C 1.325 177.318 175.900 0.155 0.000 0.973 45 Y CA -0.334 57.838 58.100 0.119 0.000 1.064 45 Y CB 2.026 40.524 38.460 0.062 0.000 1.207 45 Y HN 0.838 nan 8.280 nan 0.000 0.452 46 A N 1.113 124.128 122.820 0.326 0.000 1.968 46 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 46 A C 0.327 178.113 177.584 0.336 0.000 1.169 46 A CA 1.525 53.702 52.037 0.234 0.000 0.638 46 A CB 0.003 19.077 19.000 0.123 0.000 0.812 46 A HN 0.669 nan 8.150 nan 0.000 0.446 47 D N -1.168 119.425 120.400 0.322 0.000 2.476 47 D HA 0.403 5.043 4.640 -0.000 0.000 0.251 47 D C 0.621 176.985 176.300 0.107 0.000 1.291 47 D CA -0.471 53.730 54.000 0.336 0.000 0.939 47 D CB 0.684 41.674 40.800 0.317 0.000 1.221 47 D HN 0.141 nan 8.370 nan 0.000 0.567 48 I N 2.231 122.845 120.570 0.073 0.000 2.179 48 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 48 I C 2.411 178.385 176.117 -0.239 0.000 1.088 48 I CA 1.254 62.444 61.300 -0.184 0.000 1.357 48 I CB -0.063 37.774 38.000 -0.272 0.000 1.051 48 I HN 0.438 nan 8.210 nan 0.000 0.409 49 A N 0.711 123.458 122.820 -0.121 0.000 1.930 49 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 49 A C 2.200 179.702 177.584 -0.138 0.000 1.175 49 A CA 1.452 53.412 52.037 -0.128 0.000 0.627 49 A CB -0.350 18.585 19.000 -0.107 0.000 0.815 49 A HN 0.354 nan 8.150 nan 0.000 0.443 50 K N -0.717 119.615 120.400 -0.113 0.000 2.444 50 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 50 K C -0.325 176.180 176.600 -0.157 0.000 1.024 50 K CA 0.210 56.445 56.287 -0.088 0.000 1.077 50 K CB 0.110 32.605 32.500 -0.009 0.000 0.833 50 K HN 0.398 nan 8.250 nan 0.000 0.517 51 K N 1.798 121.977 120.400 -0.367 0.000 3.077 51 K HA -0.164 4.156 4.320 -0.000 0.000 0.264 51 K C -0.816 175.676 176.600 -0.180 0.000 1.008 51 K CA 0.490 56.378 56.287 -0.664 0.000 0.740 51 K CB -0.995 31.239 32.500 -0.445 0.000 1.273 51 K HN 0.213 nan 8.250 nan 0.000 0.477 52 Q N 0.623 120.405 119.800 -0.029 0.000 2.294 52 Q HA 0.204 4.544 4.340 -0.000 0.000 0.257 52 Q C -2.103 174.085 176.000 0.313 0.000 0.955 52 Q CA -1.802 54.084 55.803 0.139 0.000 0.936 52 Q CB 0.888 29.699 28.738 0.122 0.000 1.188 52 Q HN 0.166 nan 8.270 nan 0.000 0.420 53 P HA 0.054 nan 4.420 nan 0.000 0.272 53 P C -0.137 177.285 177.300 0.202 0.000 1.223 53 P CA -0.323 62.942 63.100 0.276 0.000 0.784 53 P CB 0.831 32.631 31.700 0.166 0.000 0.923 54 V N 2.527 122.561 119.914 0.200 0.000 2.521 54 V HA 0.204 4.324 4.120 -0.000 0.000 0.286 54 V C 1.296 177.490 176.094 0.167 0.000 1.034 54 V CA 0.781 63.213 62.300 0.221 0.000 1.045 54 V CB 0.036 32.067 31.823 0.348 0.000 0.974 54 V HN 0.881 nan 8.190 nan 0.000 0.480 55 T N 1.986 116.625 114.554 0.142 0.000 2.742 55 T HA 0.319 4.669 4.350 -0.000 0.000 0.282 55 T C 0.493 175.230 174.700 0.061 0.000 1.025 55 T CA -0.761 61.383 62.100 0.073 0.000 1.020 55 T CB 1.751 70.638 68.868 0.033 0.000 1.317 55 T HN 0.321 nan 8.240 nan 0.000 0.538 56 Q N -0.009 119.771 119.800 -0.033 0.000 2.364 56 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 56 Q C 1.787 177.733 176.000 -0.089 0.000 0.970 56 Q CA 1.343 57.081 55.803 -0.109 0.000 0.888 56 Q CB -0.224 28.384 28.738 -0.217 0.000 0.951 56 Q HN 0.748 nan 8.270 nan 0.000 0.469 57 Q N -0.280 119.480 119.800 -0.066 0.000 2.356 57 Q HA 0.087 4.427 4.340 -0.000 0.000 0.205 57 Q C -0.043 175.945 176.000 -0.021 0.000 0.901 57 Q CA 0.073 55.815 55.803 -0.102 0.000 0.938 57 Q CB 0.594 29.268 28.738 -0.106 0.000 1.081 57 Q HN 0.129 nan 8.270 nan 0.000 0.517 58 T N 2.068 116.652 114.554 0.049 0.000 2.834 58 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 58 T C 0.000 174.745 174.700 0.075 0.000 0.966 58 T CA 0.017 62.136 62.100 0.032 0.000 1.141 58 T CB 0.398 69.271 68.868 0.009 0.000 0.905 58 T HN 0.095 nan 8.240 nan 0.000 0.535 59 L N 3.992 125.222 121.223 0.012 0.000 2.305 59 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 59 L C -0.390 176.479 176.870 -0.001 0.000 1.085 59 L CA -0.570 54.291 54.840 0.034 0.000 0.813 59 L CB 0.314 42.313 42.059 -0.099 0.000 1.157 59 L HN 0.516 nan 8.230 nan 0.000 0.436 60 F N 0.472 120.458 119.950 0.060 0.000 2.492 60 F HA 0.354 4.881 4.527 0.000 0.000 0.327 60 F C 0.516 176.105 175.800 -0.352 0.000 1.079 60 F CA -0.830 57.182 58.000 0.020 0.000 0.967 60 F CB 1.418 40.556 39.000 0.229 0.000 1.169 60 F HN 0.418 nan 8.300 nan 0.000 0.472 61 E N 3.015 122.716 120.200 -0.832 0.000 2.299 61 E HA 0.117 4.467 4.350 -0.000 0.000 0.272 61 E C 0.538 177.045 176.600 -0.154 0.000 1.043 61 E CA -0.016 56.058 56.400 -0.543 0.000 0.895 61 E CB 0.769 30.032 29.700 -0.728 0.000 1.011 61 E HN 0.626 nan 8.360 nan 0.000 0.432 62 L N 2.936 124.146 121.223 -0.021 0.000 2.395 62 L HA 0.032 4.372 4.340 -0.000 0.000 0.218 62 L C 1.470 178.425 176.870 0.142 0.000 1.130 62 L CA 0.518 55.414 54.840 0.094 0.000 0.826 62 L CB -0.904 41.212 42.059 0.094 0.000 0.941 62 L HN 0.906 nan 8.230 nan 0.000 0.451 63 G N 0.970 109.852 108.800 0.137 0.000 2.596 63 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.295 63 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.295 63 G C 0.861 175.896 174.900 0.225 0.000 1.240 63 G CA 0.564 45.781 45.100 0.195 0.000 0.985 63 G HN 0.348 nan 8.290 nan 0.000 0.555 64 S N -0.120 115.714 115.700 0.224 0.000 2.547 64 S HA 0.084 4.554 4.470 -0.000 0.000 0.235 64 S C 2.153 176.878 174.600 0.208 0.000 0.980 64 S CA 1.348 59.697 58.200 0.248 0.000 0.941 64 S CB 0.173 63.554 63.200 0.303 0.000 0.763 64 S HN 0.950 nan 8.310 nan 0.000 0.532 65 V N 2.200 122.226 119.914 0.186 0.000 2.720 65 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 65 V C 2.363 178.576 176.094 0.198 0.000 1.082 65 V CA 1.694 64.090 62.300 0.160 0.000 1.101 65 V CB -1.096 30.845 31.823 0.195 0.000 0.693 65 V HN 0.520 nan 8.190 nan 0.000 0.479 66 S N -0.264 115.571 115.700 0.224 0.000 2.420 66 S HA -0.249 4.221 4.470 -0.000 0.000 0.237 66 S C 1.915 176.665 174.600 0.249 0.000 1.023 66 S CA 1.378 59.733 58.200 0.259 0.000 0.991 66 S CB -0.287 63.003 63.200 0.151 0.000 0.792 66 S HN 0.649 nan 8.310 nan 0.000 0.488 67 K N 0.851 121.354 120.400 0.171 0.000 2.209 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 67 K C 2.487 179.114 176.600 0.045 0.000 1.048 67 K CA 1.585 57.953 56.287 0.135 0.000 0.940 67 K CB -0.483 32.114 32.500 0.162 0.000 0.729 67 K HN 0.634 nan 8.250 nan 0.000 0.451 68 T N -1.037 113.448 114.554 -0.114 0.000 2.821 68 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 68 T C 1.770 176.480 174.700 0.017 0.000 1.046 68 T CA 0.867 62.727 62.100 -0.400 0.000 1.139 68 T CB -0.407 67.818 68.868 -1.071 0.000 0.871 68 T HN 0.027 nan 8.240 nan 0.000 0.454 69 F N 2.207 122.216 119.950 0.098 0.000 2.102 69 F HA 0.012 4.539 4.527 0.000 0.000 0.298 69 F C 3.065 178.921 175.800 0.093 0.000 1.105 69 F CA 1.500 59.514 58.000 0.024 0.000 1.239 69 F CB -1.237 37.653 39.000 -0.183 0.000 0.991 69 F HN 0.138 nan 8.300 nan 0.000 0.474 70 T N -0.489 114.251 114.554 0.311 0.000 2.720 70 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 70 T C 2.354 177.228 174.700 0.290 0.000 1.037 70 T CA 1.466 63.755 62.100 0.316 0.000 1.144 70 T CB -1.075 67.979 68.868 0.310 0.000 0.864 70 T HN 0.452 nan 8.240 nan 0.000 0.444 71 G N 0.886 109.829 108.800 0.238 0.000 2.418 71 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 71 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 71 G C 1.707 176.756 174.900 0.248 0.000 1.158 71 G CA 0.811 46.048 45.100 0.228 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.610 120.681 119.914 0.261 0.000 2.358 72 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 72 V C 2.680 178.885 176.094 0.186 0.000 1.047 72 V CA 1.545 64.005 62.300 0.267 0.000 1.035 72 V CB -0.378 31.689 31.823 0.406 0.000 0.658 72 V HN 0.344 nan 8.190 nan 0.000 0.452 73 L N 1.325 122.634 121.223 0.142 0.000 2.042 73 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 73 L C 2.336 179.216 176.870 0.017 0.000 1.076 73 L CA 2.459 57.306 54.840 0.012 0.000 0.749 73 L CB -1.252 40.735 42.059 -0.120 0.000 0.893 73 L HN 0.278 nan 8.230 nan 0.000 0.432 74 G N -1.242 107.620 108.800 0.102 0.000 2.418 74 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 74 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 74 G C 1.534 176.533 174.900 0.165 0.000 1.158 74 G CA 0.570 45.751 45.100 0.135 0.000 0.771 74 G HN 0.596 nan 8.290 nan 0.000 0.545 75 G N 0.712 109.619 108.800 0.178 0.000 2.440 75 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 75 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 75 G C 1.454 176.407 174.900 0.088 0.000 1.154 75 G CA 1.410 46.595 45.100 0.140 0.000 0.767 75 G HN 0.517 nan 8.290 nan 0.000 0.552 76 D N 0.398 120.838 120.400 0.066 0.000 2.144 76 D HA 0.056 4.696 4.640 -0.000 0.000 0.199 76 D C 2.634 178.937 176.300 0.006 0.000 0.984 76 D CA 1.380 55.398 54.000 0.029 0.000 0.834 76 D CB -0.241 40.568 40.800 0.014 0.000 0.955 76 D HN 0.259 nan 8.370 nan 0.000 0.465 77 A N 0.012 122.826 122.820 -0.010 0.000 1.930 77 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 77 A C 2.296 179.878 177.584 -0.003 0.000 1.175 77 A CA 0.960 52.978 52.037 -0.033 0.000 0.627 77 A CB -0.699 18.249 19.000 -0.088 0.000 0.815 77 A HN 0.373 nan 8.150 nan 0.000 0.443 78 I N -0.181 120.405 120.570 0.028 0.000 2.179 78 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 78 I C 2.932 179.072 176.117 0.038 0.000 1.088 78 I CA 1.111 62.438 61.300 0.045 0.000 1.357 78 I CB -0.305 37.740 38.000 0.075 0.000 1.051 78 I HN 0.340 nan 8.210 nan 0.000 0.409 79 A N 0.694 123.535 122.820 0.036 0.000 1.972 79 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 79 A C 2.295 179.889 177.584 0.016 0.000 1.169 79 A CA 1.315 53.368 52.037 0.027 0.000 0.635 79 A CB -0.532 18.484 19.000 0.026 0.000 0.810 79 A HN 0.343 nan 8.150 nan 0.000 0.446 80 R N -1.367 119.138 120.500 0.010 0.000 2.307 80 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 80 R C 1.306 177.613 176.300 0.010 0.000 1.000 80 R CA 0.531 56.633 56.100 0.003 0.000 1.023 80 R CB -0.193 30.102 30.300 -0.009 0.000 0.908 80 R HN 0.690 nan 8.270 nan 0.000 0.473 81 G N 1.022 109.834 108.800 0.020 0.000 2.143 81 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 81 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 81 G C 0.513 175.436 174.900 0.039 0.000 0.991 81 G CA 0.548 45.666 45.100 0.030 0.000 0.689 81 G HN 0.451 nan 8.290 nan 0.000 0.522 82 E N -0.618 119.600 120.200 0.031 0.000 2.170 82 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 82 E C 1.545 178.199 176.600 0.090 0.000 0.981 82 E CA 1.113 57.539 56.400 0.043 0.000 0.830 82 E CB 0.205 29.907 29.700 0.003 0.000 0.775 82 E HN 0.899 nan 8.360 nan 0.000 0.470 83 I N -2.489 118.111 120.570 0.051 0.000 3.074 83 I HA 0.493 4.663 4.170 -0.000 0.000 0.310 83 I C -1.323 174.845 176.117 0.085 0.000 1.153 83 I CA -1.234 60.094 61.300 0.047 0.000 0.993 83 I CB 2.287 40.142 38.000 -0.241 0.000 1.237 83 I HN -0.349 nan 8.210 nan 0.000 0.443 84 K N 3.052 123.539 120.400 0.146 0.000 2.378 84 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 84 K C 0.152 176.818 176.600 0.110 0.000 0.931 84 K CA -0.748 55.612 56.287 0.122 0.000 0.794 84 K CB 2.864 35.445 32.500 0.134 0.000 1.181 84 K HN 0.622 nan 8.250 nan 0.000 0.425 85 L N 1.091 122.360 121.223 0.076 0.000 2.275 85 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 85 L C 1.988 178.880 176.870 0.036 0.000 1.119 85 L CA 1.311 56.175 54.840 0.041 0.000 0.790 85 L CB -0.293 41.752 42.059 -0.023 0.000 0.919 85 L HN 0.708 nan 8.230 nan 0.000 0.443 86 S N -2.620 113.117 115.700 0.060 0.000 2.561 86 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 86 S C 0.606 175.267 174.600 0.101 0.000 0.977 86 S CA -0.190 58.044 58.200 0.056 0.000 0.926 86 S CB -0.308 62.925 63.200 0.055 0.000 0.769 86 S HN 0.227 nan 8.310 nan 0.000 0.533 87 D N 3.545 124.044 120.400 0.165 0.000 2.339 87 D HA 0.381 5.021 4.640 -0.000 0.000 0.245 87 D C -2.628 173.817 176.300 0.243 0.000 1.115 87 D CA -1.724 52.407 54.000 0.218 0.000 0.917 87 D CB 0.697 41.707 40.800 0.351 0.000 1.192 87 D HN 0.129 nan 8.370 nan 0.000 0.428 88 P HA 0.058 nan 4.420 nan 0.000 0.269 88 P C 0.718 178.195 177.300 0.295 0.000 1.209 88 P CA -0.105 63.132 63.100 0.228 0.000 0.776 88 P CB 0.492 32.290 31.700 0.163 0.000 0.876 89 T N 0.736 115.487 114.554 0.328 0.000 2.699 89 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 89 T C 1.654 176.507 174.700 0.256 0.000 1.036 89 T CA 2.506 64.803 62.100 0.329 0.000 1.147 89 T CB -1.115 67.954 68.868 0.334 0.000 0.862 89 T HN 0.637 nan 8.240 nan 0.000 0.446 90 T N 0.601 115.253 114.554 0.164 0.000 2.929 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.271 90 T C 1.777 176.494 174.700 0.028 0.000 1.085 90 T CA 1.199 63.341 62.100 0.070 0.000 1.125 90 T CB -0.277 68.623 68.868 0.053 0.000 0.874 90 T HN 0.407 nan 8.240 nan 0.000 0.494 91 K N 0.330 120.704 120.400 -0.043 0.000 2.152 91 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 91 K C 1.209 177.557 176.600 -0.421 0.000 1.048 91 K CA 1.302 57.412 56.287 -0.295 0.000 0.933 91 K CB -0.213 31.976 32.500 -0.519 0.000 0.721 91 K HN 0.578 nan 8.250 nan 0.000 0.447 92 Y N -2.518 117.824 120.300 0.070 0.000 2.449 92 Y HA 0.104 4.654 4.550 -0.000 0.000 0.254 92 Y C 0.173 176.133 175.900 0.101 0.000 1.140 92 Y CA -0.568 57.560 58.100 0.047 0.000 1.272 92 Y CB 0.563 39.025 38.460 0.005 0.000 1.114 92 Y HN 0.123 nan 8.280 nan 0.000 0.525 93 W N 2.439 123.734 121.300 -0.009 0.000 2.330 93 W HA 0.405 5.065 4.660 -0.000 0.000 0.286 93 W C -2.639 173.830 176.519 -0.084 0.000 1.019 93 W CA -3.642 53.663 57.345 -0.067 0.000 1.485 93 W CB 1.057 30.435 29.460 -0.136 0.000 1.457 93 W HN -0.134 nan 8.180 nan 0.000 0.359 94 P HA -0.169 nan 4.420 nan 0.000 0.220 94 P C 1.034 178.296 177.300 -0.063 0.000 1.148 94 P CA 1.735 64.852 63.100 0.029 0.000 0.803 94 P CB 0.516 32.237 31.700 0.036 0.000 0.782 95 E N -1.020 119.114 120.200 -0.110 0.000 2.418 95 E HA -0.039 4.311 4.350 -0.000 0.000 0.197 95 E C 0.609 176.943 176.600 -0.444 0.000 1.026 95 E CA 0.200 56.465 56.400 -0.226 0.000 0.862 95 E CB -0.715 28.893 29.700 -0.154 0.000 0.799 95 E HN 0.118 nan 8.360 nan 0.000 0.518 96 L N 1.592 122.422 121.223 -0.656 0.000 2.391 96 L HA 0.100 4.440 4.340 -0.000 0.000 0.249 96 L C 0.800 177.468 176.870 -0.337 0.000 1.308 96 L CA 0.396 54.798 54.840 -0.730 0.000 1.209 96 L CB -0.347 41.067 42.059 -1.075 0.000 1.401 96 L HN 0.032 nan 8.230 nan 0.000 0.416 97 T N -0.939 113.498 114.554 -0.196 0.000 3.060 97 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 97 T C 0.918 175.634 174.700 0.026 0.000 1.079 97 T CA 0.226 62.290 62.100 -0.060 0.000 1.013 97 T CB 0.017 68.851 68.868 -0.056 0.000 0.975 97 T HN 0.492 nan 8.240 nan 0.000 0.518 98 A N 1.883 124.744 122.820 0.068 0.000 2.483 98 A HA 0.349 4.669 4.320 -0.000 0.000 0.238 98 A C 1.524 179.226 177.584 0.197 0.000 1.070 98 A CA -0.187 51.935 52.037 0.142 0.000 0.770 98 A CB 0.249 19.364 19.000 0.193 0.000 1.008 98 A HN 0.468 nan 8.150 nan 0.000 0.497 99 K N 0.963 121.425 120.400 0.102 0.000 2.283 99 K HA -0.160 4.160 4.320 -0.000 0.000 0.202 99 K C 1.748 178.380 176.600 0.053 0.000 1.048 99 K CA 1.536 57.867 56.287 0.073 0.000 0.948 99 K CB 0.016 32.531 32.500 0.024 0.000 0.742 99 K HN 0.856 nan 8.250 nan 0.000 0.458 100 Q N -0.403 119.398 119.800 0.001 0.000 2.437 100 Q HA -0.176 4.164 4.340 -0.000 0.000 0.210 100 Q C 0.830 176.711 176.000 -0.198 0.000 0.972 100 Q CA 1.112 56.820 55.803 -0.158 0.000 0.903 100 Q CB -0.462 28.078 28.738 -0.331 0.000 0.967 100 Q HN 0.486 nan 8.270 nan 0.000 0.486 101 W N 1.644 122.999 121.300 0.092 0.000 2.905 101 W HA 0.141 4.801 4.660 -0.000 0.000 0.251 101 W C 1.555 178.142 176.519 0.114 0.000 1.305 101 W CA 0.279 57.704 57.345 0.133 0.000 1.465 101 W CB -0.211 29.312 29.460 0.105 0.000 1.122 101 W HN 0.241 nan 8.180 nan 0.000 0.659 102 N N -0.015 118.814 118.700 0.214 0.000 2.073 102 N HA -0.204 4.536 4.740 -0.000 0.000 0.199 102 N C 1.846 177.462 175.510 0.176 0.000 1.023 102 N CA 2.313 55.464 53.050 0.168 0.000 0.880 102 N CB -0.794 37.757 38.487 0.107 0.000 1.052 102 N HN 0.161 nan 8.380 nan 0.000 0.449 103 G N -1.024 107.872 108.800 0.160 0.000 3.337 103 G HA2 0.293 4.253 3.960 -0.000 0.000 0.246 103 G HA3 0.293 4.253 3.960 -0.000 0.000 0.246 103 G C -0.075 174.996 174.900 0.286 0.000 1.131 103 G CA -0.327 44.887 45.100 0.189 0.000 0.773 103 G HN 0.126 nan 8.290 nan 0.000 0.544 104 I N 2.763 123.525 120.570 0.320 0.000 2.312 104 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 104 I C 0.769 177.181 176.117 0.491 0.000 1.031 104 I CA -0.441 61.134 61.300 0.458 0.000 1.293 104 I CB 1.362 39.566 38.000 0.341 0.000 1.403 104 I HN 0.057 nan 8.210 nan 0.000 0.484 105 T N 2.994 117.845 114.554 0.495 0.000 2.923 105 T HA 0.458 4.808 4.350 -0.000 0.000 0.281 105 T C 1.209 176.022 174.700 0.189 0.000 0.995 105 T CA -0.871 61.359 62.100 0.217 0.000 0.985 105 T CB 1.499 70.356 68.868 -0.018 0.000 1.114 105 T HN 0.420 nan 8.240 nan 0.000 0.548 106 L N 0.331 121.654 121.223 0.166 0.000 2.079 106 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 106 L C 2.566 179.433 176.870 -0.004 0.000 1.081 106 L CA 0.944 55.886 54.840 0.170 0.000 0.752 106 L CB -0.792 41.378 42.059 0.185 0.000 0.896 106 L HN 0.613 nan 8.230 nan 0.000 0.433 107 L N -0.200 120.962 121.223 -0.102 0.000 2.013 107 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 107 L C 2.411 179.231 176.870 -0.084 0.000 1.073 107 L CA 2.018 56.737 54.840 -0.200 0.000 0.753 107 L CB -0.650 41.302 42.059 -0.179 0.000 0.890 107 L HN 0.249 nan 8.230 nan 0.000 0.432 108 H N -1.128 118.003 119.070 0.101 0.000 2.319 108 H HA -0.167 4.389 4.556 0.000 0.000 0.299 108 H C 2.251 177.579 175.328 0.000 0.000 1.092 108 H CA 1.694 57.798 56.048 0.093 0.000 1.302 108 H CB -0.213 29.631 29.762 0.137 0.000 1.373 108 H HN 0.325 nan 8.280 nan 0.000 0.497 109 L N 0.201 121.512 121.223 0.147 0.000 2.017 109 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 109 L C 2.853 179.642 176.870 -0.136 0.000 1.073 109 L CA 0.898 55.786 54.840 0.080 0.000 0.745 109 L CB -0.530 41.641 42.059 0.186 0.000 0.894 109 L HN 0.356 nan 8.230 nan 0.000 0.432 110 A N -0.324 122.243 122.820 -0.422 0.000 2.019 110 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 110 A C 2.100 179.261 177.584 -0.706 0.000 1.164 110 A CA 2.076 53.611 52.037 -0.836 0.000 0.644 110 A CB -0.666 17.431 19.000 -1.506 0.000 0.805 110 A HN 0.536 nan 8.150 nan 0.000 0.449 111 T N -6.746 107.502 114.554 -0.511 0.000 3.132 111 T HA 0.333 4.683 4.350 -0.000 0.000 0.274 111 T C 0.199 174.656 174.700 -0.406 0.000 1.011 111 T CA 0.236 62.055 62.100 -0.468 0.000 0.899 111 T CB -0.442 68.441 68.868 0.024 0.000 1.089 111 T HN 0.698 nan 8.240 nan 0.000 0.543 112 Y N 0.823 121.097 120.300 -0.044 0.000 4.366 112 Y HA -0.249 4.301 4.550 0.000 0.000 0.236 112 Y C 1.220 177.075 175.900 -0.074 0.000 1.142 112 Y CA 0.490 58.565 58.100 -0.042 0.000 2.024 112 Y CB -3.130 35.317 38.460 -0.021 0.000 1.621 112 Y HN 0.607 nan 8.280 nan 0.000 0.694 113 T N -4.420 110.121 114.554 -0.022 0.000 3.174 113 T HA 0.681 5.031 4.350 -0.000 0.000 0.269 113 T C 1.469 176.124 174.700 -0.074 0.000 1.017 113 T CA 0.209 62.213 62.100 -0.160 0.000 0.899 113 T CB 0.550 69.088 68.868 -0.549 0.000 1.077 113 T HN 0.495 nan 8.240 nan 0.000 0.552 114 A N 1.336 124.184 122.820 0.047 0.000 2.119 114 A HA 0.570 4.890 4.320 -0.000 0.000 0.217 114 A C 1.848 179.509 177.584 0.127 0.000 1.153 114 A CA 0.584 52.642 52.037 0.036 0.000 0.692 114 A CB -0.824 18.215 19.000 0.065 0.000 0.799 114 A HN 1.491 nan 8.150 nan 0.000 0.458 115 G N -2.930 106.017 108.800 0.246 0.000 2.247 115 G HA2 0.405 4.365 3.960 -0.000 0.000 0.111 115 G HA3 0.405 4.365 3.960 -0.000 0.000 0.111 115 G C 0.966 176.171 174.900 0.509 0.000 1.045 115 G CA 0.322 45.660 45.100 0.397 0.000 0.715 115 G HN 1.988 nan 8.290 nan 0.000 0.485 116 G N -0.955 108.173 108.800 0.547 0.000 2.141 116 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.195 116 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.195 116 G C 0.458 175.630 174.900 0.454 0.000 1.012 116 G CA -0.015 45.345 45.100 0.434 0.000 0.696 116 G HN 1.294 nan 8.290 nan 0.000 0.508 117 L N 1.798 123.173 121.223 0.253 0.000 2.525 117 L HA 0.240 4.580 4.340 -0.000 0.000 0.278 117 L C -0.873 176.076 176.870 0.131 0.000 1.218 117 L CA -1.102 53.697 54.840 -0.069 0.000 0.878 117 L CB 0.385 42.317 42.059 -0.212 0.000 1.127 117 L HN 0.113 nan 8.230 nan 0.000 0.492 118 P HA 0.011 nan 4.420 nan 0.000 0.276 118 P C 0.501 177.860 177.300 0.098 0.000 1.244 118 P CA -0.628 62.566 63.100 0.157 0.000 0.801 118 P CB 1.193 33.002 31.700 0.183 0.000 1.006 119 L N 0.626 121.903 121.223 0.091 0.000 1.997 119 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 119 L C 0.829 177.724 176.870 0.042 0.000 1.074 119 L CA 2.129 57.010 54.840 0.068 0.000 0.763 119 L CB -0.729 41.383 42.059 0.089 0.000 0.890 119 L HN 0.366 nan 8.230 nan 0.000 0.434 120 Q N -0.471 119.346 119.800 0.027 0.000 2.342 120 Q HA 0.388 4.728 4.340 -0.000 0.000 0.267 120 Q C -0.740 175.211 176.000 -0.081 0.000 1.038 120 Q CA -0.865 54.935 55.803 -0.005 0.000 0.832 120 Q CB 1.945 30.675 28.738 -0.012 0.000 1.323 120 Q HN -0.030 nan 8.270 nan 0.000 0.448 121 V N 3.542 123.371 119.914 -0.142 0.000 2.655 121 V HA 0.083 4.204 4.120 -0.000 0.000 0.300 121 V C -1.902 174.011 176.094 -0.302 0.000 1.044 121 V CA -0.923 61.144 62.300 -0.387 0.000 1.095 121 V CB 0.109 31.739 31.823 -0.322 0.000 0.952 121 V HN 0.611 nan 8.190 nan 0.000 0.485 122 P HA 0.044 nan 4.420 nan 0.000 0.267 122 P C 0.358 177.586 177.300 -0.120 0.000 1.201 122 P CA -0.050 62.943 63.100 -0.177 0.000 0.775 122 P CB 0.462 32.087 31.700 -0.125 0.000 0.854 123 D N 1.473 121.840 120.400 -0.054 0.000 2.149 123 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 123 D C 1.203 177.491 176.300 -0.019 0.000 0.990 123 D CA 1.554 55.538 54.000 -0.027 0.000 0.839 123 D CB -0.199 40.598 40.800 -0.006 0.000 0.948 123 D HN 0.504 nan 8.370 nan 0.000 0.460 124 E N -0.038 120.152 120.200 -0.016 0.000 2.481 124 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 124 E C 0.146 176.743 176.600 -0.005 0.000 1.047 124 E CA -0.070 56.330 56.400 -0.001 0.000 0.867 124 E CB 0.380 30.087 29.700 0.011 0.000 0.858 124 E HN 0.016 nan 8.360 nan 0.000 0.513 125 V N 1.667 121.561 119.914 -0.033 0.000 2.521 125 V HA 0.027 4.147 4.120 -0.000 0.000 0.286 125 V C 0.935 177.018 176.094 -0.019 0.000 1.034 125 V CA 0.658 62.939 62.300 -0.031 0.000 1.045 125 V CB 1.176 32.931 31.823 -0.114 0.000 0.974 125 V HN 0.161 nan 8.190 nan 0.000 0.480 126 K N 2.058 122.462 120.400 0.006 0.000 2.606 126 K HA 0.163 4.483 4.320 -0.000 0.000 0.199 126 K C 0.884 177.492 176.600 0.013 0.000 1.403 126 K CA 0.304 56.594 56.287 0.006 0.000 1.011 126 K CB 0.610 33.117 32.500 0.011 0.000 1.623 126 K HN 0.704 nan 8.250 nan 0.000 0.512 127 S N -0.049 115.668 115.700 0.029 0.000 2.669 127 S HA 0.209 4.679 4.470 -0.000 0.000 0.270 127 S C 1.040 175.675 174.600 0.058 0.000 1.225 127 S CA -0.525 57.695 58.200 0.034 0.000 0.991 127 S CB 1.698 64.922 63.200 0.039 0.000 0.987 127 S HN 0.039 nan 8.310 nan 0.000 0.552 128 S N 1.057 116.788 115.700 0.052 0.000 2.383 128 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 128 S C 2.227 176.925 174.600 0.163 0.000 1.030 128 S CA 1.613 59.863 58.200 0.083 0.000 1.002 128 S CB -0.803 62.422 63.200 0.042 0.000 0.829 128 S HN 0.905 nan 8.310 nan 0.000 0.467 129 S N 1.722 117.497 115.700 0.125 0.000 2.383 129 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 129 S C 1.425 176.110 174.600 0.142 0.000 1.026 129 S CA 1.369 59.648 58.200 0.131 0.000 0.981 129 S CB -0.469 62.785 63.200 0.089 0.000 0.818 129 S HN 0.365 nan 8.310 nan 0.000 0.472 130 D N 1.506 121.980 120.400 0.123 0.000 2.117 130 D HA -0.017 4.623 4.640 -0.000 0.000 0.197 130 D C 1.998 178.412 176.300 0.190 0.000 0.987 130 D CA 1.007 55.082 54.000 0.125 0.000 0.829 130 D CB -0.476 40.375 40.800 0.084 0.000 0.961 130 D HN 0.390 nan 8.370 nan 0.000 0.460 131 L N 0.186 121.546 121.223 0.229 0.000 2.046 131 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 131 L C 2.382 179.586 176.870 0.556 0.000 1.077 131 L CA 0.440 55.504 54.840 0.374 0.000 0.747 131 L CB -0.248 42.033 42.059 0.369 0.000 0.896 131 L HN 0.068 nan 8.230 nan 0.000 0.432 132 L N -0.096 121.423 121.223 0.492 0.000 2.012 132 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 132 L C 2.695 179.635 176.870 0.118 0.000 1.073 132 L CA 1.782 56.785 54.840 0.271 0.000 0.748 132 L CB -0.517 41.663 42.059 0.201 0.000 0.891 132 L HN 0.102 nan 8.230 nan 0.000 0.431 133 R N -1.514 119.071 120.500 0.142 0.000 2.083 133 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 133 R C 2.272 178.635 176.300 0.104 0.000 1.137 133 R CA 1.913 58.072 56.100 0.099 0.000 0.951 133 R CB -0.819 29.543 30.300 0.103 0.000 0.851 133 R HN 0.425 nan 8.270 nan 0.000 0.434 134 F N 0.628 120.602 119.950 0.040 0.000 2.069 134 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 134 F C 1.771 177.587 175.800 0.027 0.000 1.113 134 F CA 1.491 59.471 58.000 -0.033 0.000 1.214 134 F CB -0.535 38.352 39.000 -0.189 0.000 0.978 134 F HN -0.056 nan 8.300 nan 0.000 0.474 135 Y N 0.386 120.675 120.300 -0.018 0.000 2.263 135 Y HA -0.160 4.390 4.550 0.000 0.000 0.292 135 Y C 2.625 178.633 175.900 0.179 0.000 1.130 135 Y CA 1.403 59.526 58.100 0.038 0.000 1.179 135 Y CB -0.953 37.512 38.460 0.008 0.000 0.998 135 Y HN 0.124 nan 8.280 nan 0.000 0.532 136 Q N 0.200 120.072 119.800 0.119 0.000 2.170 136 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 136 Q C 1.309 177.396 176.000 0.145 0.000 0.976 136 Q CA 1.542 57.412 55.803 0.112 0.000 0.858 136 Q CB -0.547 28.178 28.738 -0.021 0.000 0.907 136 Q HN 0.677 nan 8.270 nan 0.000 0.433 137 N N -0.955 117.783 118.700 0.063 0.000 2.422 137 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 137 N C -0.028 175.476 175.510 -0.010 0.000 1.080 137 N CA -0.388 52.668 53.050 0.010 0.000 0.893 137 N CB 0.150 38.629 38.487 -0.012 0.000 0.973 137 N HN 0.168 nan 8.380 nan 0.000 0.456 138 W N 2.845 124.020 121.300 -0.208 0.000 2.253 138 W HA 0.112 4.772 4.660 -0.000 0.000 0.322 138 W C -0.629 175.790 176.519 -0.167 0.000 1.342 138 W CA -0.094 57.098 57.345 -0.255 0.000 1.218 138 W CB 0.587 29.852 29.460 -0.326 0.000 1.205 138 W HN -0.082 nan 8.180 nan 0.000 0.551 139 Q N 8.215 127.439 119.800 -0.959 0.000 2.331 139 Q HA 0.334 4.674 4.340 -0.000 0.000 0.267 139 Q C -2.108 173.027 176.000 -1.442 0.000 1.006 139 Q CA -2.064 53.113 55.803 -1.043 0.000 0.818 139 Q CB 1.510 29.921 28.738 -0.544 0.000 1.276 139 Q HN 0.406 nan 8.270 nan 0.000 0.450 140 P HA 0.096 nan 4.420 nan 0.000 0.271 140 P C -0.169 176.740 177.300 -0.651 0.000 1.218 140 P CA 0.037 62.488 63.100 -1.082 0.000 0.780 140 P CB 1.001 32.232 31.700 -0.782 0.000 0.901 141 A N 2.800 125.237 122.820 -0.638 0.000 2.016 141 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 141 A C 0.453 177.352 177.584 -1.141 0.000 1.162 141 A CA 0.760 52.167 52.037 -1.050 0.000 0.662 141 A CB -0.272 17.685 19.000 -1.739 0.000 0.812 141 A HN 0.608 nan 8.150 nan 0.000 0.450 142 W N -3.093 118.159 121.300 -0.080 0.000 3.074 142 W HA 0.615 5.275 4.660 0.000 0.000 0.332 142 W C -0.051 176.412 176.519 -0.094 0.000 1.253 142 W CA -1.258 56.044 57.345 -0.072 0.000 1.180 142 W CB 0.895 30.328 29.460 -0.046 0.000 1.445 142 W HN 0.140 nan 8.180 nan 0.000 0.573 143 A N 2.453 125.359 122.820 0.145 0.000 2.406 143 A HA 0.523 4.843 4.320 -0.000 0.000 0.243 143 A C -2.208 175.384 177.584 0.014 0.000 1.082 143 A CA -0.672 51.390 52.037 0.041 0.000 0.786 143 A CB -0.756 18.267 19.000 0.039 0.000 1.029 143 A HN 0.135 nan 8.150 nan 0.000 0.495 144 P HA 0.307 nan 4.420 nan 0.000 0.269 144 P C 0.818 177.978 177.300 -0.233 0.000 1.209 144 P CA 1.535 64.461 63.100 -0.290 0.000 0.776 144 P CB 0.561 32.017 31.700 -0.408 0.000 0.876 145 G N 1.259 109.868 108.800 -0.317 0.000 2.160 145 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 145 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 145 G C 0.653 175.533 174.900 -0.035 0.000 1.008 145 G CA 0.758 45.861 45.100 0.005 0.000 0.724 145 G HN 0.706 nan 8.290 nan 0.000 0.514 146 T N -5.002 109.473 114.554 -0.131 0.000 2.989 146 T HA 0.444 4.794 4.350 -0.000 0.000 0.250 146 T C 0.543 175.104 174.700 -0.232 0.000 0.981 146 T CA 0.802 62.837 62.100 -0.108 0.000 0.980 146 T CB 0.645 69.490 68.868 -0.039 0.000 1.133 146 T HN 0.280 nan 8.240 nan 0.000 0.489 147 Q N 1.002 120.619 119.800 -0.306 0.000 2.347 147 Q HA 0.466 4.806 4.340 -0.000 0.000 0.271 147 Q C -1.374 174.435 176.000 -0.318 0.000 1.064 147 Q CA -0.497 55.048 55.803 -0.430 0.000 0.800 147 Q CB 3.163 31.368 28.738 -0.888 0.000 1.304 147 Q HN 0.387 nan 8.270 nan 0.000 0.438 148 R N 2.340 122.678 120.500 -0.269 0.000 2.229 148 R HA 0.507 4.847 4.340 -0.000 0.000 0.328 148 R C -1.174 175.101 176.300 -0.041 0.000 1.009 148 R CA -0.538 55.489 56.100 -0.123 0.000 0.864 148 R CB 0.439 30.695 30.300 -0.073 0.000 1.085 148 R HN 0.448 nan 8.270 nan 0.000 0.453 149 L N 6.160 127.428 121.223 0.076 0.000 2.427 149 L HA 0.259 4.599 4.340 -0.000 0.000 0.264 149 L C -1.372 175.542 176.870 0.073 0.000 0.989 149 L CA -0.736 54.173 54.840 0.114 0.000 0.865 149 L CB 0.953 43.169 42.059 0.261 0.000 1.209 149 L HN 0.608 nan 8.230 nan 0.000 0.430 150 Y N 4.779 124.948 120.300 -0.218 0.000 2.810 150 Y HA 0.364 4.914 4.550 -0.000 0.000 0.332 150 Y C 0.033 175.738 175.900 -0.324 0.000 1.243 150 Y CA 0.942 58.670 58.100 -0.619 0.000 1.537 150 Y CB 0.472 38.640 38.460 -0.488 0.000 1.265 150 Y HN 0.819 nan 8.280 nan 0.000 0.572 151 A N 5.647 128.029 122.820 -0.731 0.000 2.512 151 A HA 0.279 4.599 4.320 -0.000 0.000 0.294 151 A C -0.117 177.366 177.584 -0.169 0.000 1.054 151 A CA -0.885 51.018 52.037 -0.224 0.000 0.756 151 A CB 0.731 19.744 19.000 0.021 0.000 1.293 151 A HN 0.790 nan 8.150 nan 0.000 0.395 152 N N 1.189 119.836 118.700 -0.090 0.000 2.223 152 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 152 N C 1.964 177.517 175.510 0.071 0.000 1.016 152 N CA 1.912 54.976 53.050 0.023 0.000 0.863 152 N CB -0.084 38.478 38.487 0.125 0.000 0.983 152 N HN 0.848 nan 8.380 nan 0.000 0.429 153 S N -1.087 114.666 115.700 0.088 0.000 2.515 153 S HA 0.056 4.526 4.470 -0.000 0.000 0.231 153 S C 1.977 176.725 174.600 0.246 0.000 0.987 153 S CA 0.796 59.102 58.200 0.177 0.000 0.936 153 S CB 0.051 63.342 63.200 0.152 0.000 0.766 153 S HN 0.190 nan 8.310 nan 0.000 0.528 154 S N 1.177 116.977 115.700 0.168 0.000 2.357 154 S HA 0.265 4.735 4.470 -0.000 0.000 0.209 154 S C 1.615 176.293 174.600 0.129 0.000 1.023 154 S CA 0.401 58.696 58.200 0.159 0.000 0.933 154 S CB -0.558 62.753 63.200 0.185 0.000 0.897 154 S HN 0.548 nan 8.310 nan 0.000 0.529 155 I N 1.282 121.925 120.570 0.122 0.000 2.493 155 I HA -0.012 4.158 4.170 -0.000 0.000 0.254 155 I C 2.122 178.303 176.117 0.106 0.000 1.160 155 I CA 1.195 62.553 61.300 0.096 0.000 1.445 155 I CB -0.581 37.455 38.000 0.061 0.000 1.086 155 I HN 0.493 nan 8.210 nan 0.000 0.433 156 G N 0.928 109.757 108.800 0.048 0.000 2.418 156 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 156 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 156 G C 1.536 176.378 174.900 -0.096 0.000 1.158 156 G CA 0.787 45.849 45.100 -0.064 0.000 0.771 156 G HN 0.376 nan 8.290 nan 0.000 0.545 157 L N -0.187 121.027 121.223 -0.014 0.000 2.056 157 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 157 L C 2.432 179.246 176.870 -0.093 0.000 1.078 157 L CA 1.523 56.296 54.840 -0.112 0.000 0.749 157 L CB -0.758 41.183 42.059 -0.197 0.000 0.901 157 L HN 0.224 nan 8.230 nan 0.000 0.433 158 F N 0.517 120.397 119.950 -0.117 0.000 2.065 158 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 158 F C 2.181 177.912 175.800 -0.115 0.000 1.112 158 F CA 1.980 59.914 58.000 -0.112 0.000 1.212 158 F CB -1.093 37.850 39.000 -0.094 0.000 0.975 158 F HN 0.129 nan 8.300 nan 0.000 0.476 159 G N -0.455 108.191 108.800 -0.257 0.000 2.418 159 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 159 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 159 G C 1.828 176.573 174.900 -0.260 0.000 1.158 159 G CA 0.985 45.919 45.100 -0.276 0.000 0.771 159 G HN 0.682 nan 8.290 nan 0.000 0.545 160 A N 0.477 123.092 122.820 -0.342 0.000 1.902 160 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 160 A C 2.424 179.838 177.584 -0.284 0.000 1.181 160 A CA 1.326 53.182 52.037 -0.301 0.000 0.623 160 A CB -0.344 18.441 19.000 -0.358 0.000 0.818 160 A HN 0.366 nan 8.150 nan 0.000 0.443 161 L N -1.176 119.850 121.223 -0.328 0.000 2.179 161 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 161 L C 3.000 179.660 176.870 -0.351 0.000 1.096 161 L CA 0.771 55.436 54.840 -0.291 0.000 0.779 161 L CB -0.562 41.370 42.059 -0.212 0.000 0.922 161 L HN 0.413 nan 8.230 nan 0.000 0.443 162 A N 0.421 122.937 122.820 -0.507 0.000 1.972 162 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 162 A C 2.178 179.578 177.584 -0.308 0.000 1.169 162 A CA 1.819 53.528 52.037 -0.546 0.000 0.635 162 A CB -0.697 17.819 19.000 -0.806 0.000 0.810 162 A HN 0.344 nan 8.150 nan 0.000 0.446 163 V N -3.184 116.602 119.914 -0.213 0.000 3.541 163 V HA 0.047 4.167 4.120 -0.000 0.000 0.267 163 V C 1.697 177.728 176.094 -0.106 0.000 1.213 163 V CA 1.419 63.633 62.300 -0.143 0.000 1.149 163 V CB -0.555 31.204 31.823 -0.107 0.000 0.822 163 V HN 0.434 nan 8.190 nan 0.000 0.462 164 K N 1.168 121.509 120.400 -0.098 0.000 2.057 164 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 164 K C -0.013 176.582 176.600 -0.009 0.000 1.049 164 K CA 1.902 58.158 56.287 -0.051 0.000 0.931 164 K CB -1.364 31.117 32.500 -0.032 0.000 0.714 164 K HN 0.472 nan 8.250 nan 0.000 0.440 165 P HA -0.183 nan 4.420 nan 0.000 0.216 165 P C 1.364 178.661 177.300 -0.004 0.000 1.150 165 P CA 1.553 64.674 63.100 0.036 0.000 0.837 165 P CB -0.023 31.723 31.700 0.078 0.000 0.786 166 S N -1.334 114.347 115.700 -0.032 0.000 2.442 166 S HA -0.003 4.467 4.470 -0.000 0.000 0.236 166 S C 1.905 176.479 174.600 -0.045 0.000 1.007 166 S CA 1.145 59.318 58.200 -0.045 0.000 0.965 166 S CB -1.632 61.524 63.200 -0.072 0.000 0.773 166 S HN 0.317 nan 8.310 nan 0.000 0.504 167 G N 0.613 109.388 108.800 -0.043 0.000 2.189 167 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.267 167 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.267 167 G C -0.003 174.866 174.900 -0.052 0.000 0.975 167 G CA 0.586 45.661 45.100 -0.042 0.000 0.644 167 G HN 0.584 nan 8.290 nan 0.000 0.537 168 L N 1.487 122.670 121.223 -0.068 0.000 2.379 168 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 168 L C 1.515 178.339 176.870 -0.077 0.000 1.084 168 L CA -0.247 54.545 54.840 -0.079 0.000 0.802 168 L CB 1.362 43.357 42.059 -0.108 0.000 1.175 168 L HN 0.399 nan 8.230 nan 0.000 0.448 169 S N 0.540 116.200 115.700 -0.067 0.000 2.584 169 S HA 0.003 4.473 4.470 -0.000 0.000 0.270 169 S C 0.876 175.443 174.600 -0.055 0.000 1.346 169 S CA -0.340 57.833 58.200 -0.044 0.000 1.018 169 S CB 0.438 63.619 63.200 -0.032 0.000 0.899 169 S HN 0.546 nan 8.310 nan 0.000 0.542 170 F N 1.304 121.163 119.950 -0.151 0.000 2.095 170 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 170 F C 2.508 178.195 175.800 -0.189 0.000 1.104 170 F CA 2.305 60.199 58.000 -0.177 0.000 1.232 170 F CB -0.436 38.456 39.000 -0.179 0.000 0.987 170 F HN 0.944 nan 8.300 nan 0.000 0.475 171 E N -0.580 119.588 120.200 -0.054 0.000 2.051 171 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 171 E C 2.204 178.650 176.600 -0.256 0.000 0.991 171 E CA 1.344 57.656 56.400 -0.148 0.000 0.799 171 E CB -0.171 29.526 29.700 -0.006 0.000 0.748 171 E HN 0.448 nan 8.360 nan 0.000 0.449 172 Q N -0.174 119.517 119.800 -0.182 0.000 2.119 172 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 172 Q C 2.134 177.978 176.000 -0.259 0.000 0.972 172 Q CA 1.202 56.897 55.803 -0.181 0.000 0.847 172 Q CB -0.170 28.499 28.738 -0.114 0.000 0.903 172 Q HN 0.377 nan 8.270 nan 0.000 0.433 173 A N 0.786 123.421 122.820 -0.308 0.000 1.877 173 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 173 A C 2.127 179.423 177.584 -0.481 0.000 1.186 173 A CA 1.817 53.644 52.037 -0.350 0.000 0.620 173 A CB -0.479 18.305 19.000 -0.359 0.000 0.822 173 A HN 0.325 nan 8.150 nan 0.000 0.443 174 M N -0.455 118.722 119.600 -0.707 0.000 2.086 174 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 174 M C 2.200 177.912 176.300 -0.979 0.000 1.067 174 M CA 2.260 57.008 55.300 -0.919 0.000 1.116 174 M CB -0.580 31.317 32.600 -1.173 0.000 1.348 174 M HN 0.576 nan 8.290 nan 0.000 0.407 175 Q N -1.094 118.257 119.800 -0.748 0.000 2.050 175 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 175 Q C 1.781 177.600 176.000 -0.302 0.000 0.980 175 Q CA 2.579 58.092 55.803 -0.484 0.000 0.840 175 Q CB -0.200 28.363 28.738 -0.293 0.000 0.898 175 Q HN 0.753 nan 8.270 nan 0.000 0.424 176 T N -2.501 111.898 114.554 -0.258 0.000 2.985 176 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 176 T C 1.600 176.210 174.700 -0.149 0.000 1.076 176 T CA 0.661 62.660 62.100 -0.169 0.000 1.135 176 T CB -0.003 68.782 68.868 -0.138 0.000 0.890 176 T HN 0.227 nan 8.240 nan 0.000 0.480 177 R N -0.178 120.205 120.500 -0.195 0.000 2.254 177 R HA 0.391 4.731 4.340 -0.000 0.000 0.193 177 R C 1.578 177.820 176.300 -0.096 0.000 0.929 177 R CA 0.237 56.255 56.100 -0.137 0.000 1.038 177 R CB 0.456 30.664 30.300 -0.153 0.000 1.009 177 R HN 0.290 nan 8.270 nan 0.000 0.512 178 V N -0.832 118.994 119.914 -0.146 0.000 3.134 178 V HA 0.029 4.149 4.120 -0.000 0.000 0.222 178 V C 1.392 177.556 176.094 0.116 0.000 1.247 178 V CA 0.507 62.807 62.300 -0.000 0.000 1.281 178 V CB -0.291 31.513 31.823 -0.030 0.000 1.169 178 V HN -0.030 nan 8.190 nan 0.000 0.512 179 F N 1.490 121.370 119.950 -0.117 0.000 2.075 179 F HA -0.135 4.392 4.527 0.000 0.000 0.297 179 F C 2.611 178.332 175.800 -0.132 0.000 1.113 179 F CA 1.479 59.380 58.000 -0.167 0.000 1.218 179 F CB -1.243 37.551 39.000 -0.344 0.000 0.984 179 F HN 0.189 nan 8.300 nan 0.000 0.472 180 Q N -0.234 119.592 119.800 0.043 0.000 2.046 180 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 180 Q C -0.348 175.654 176.000 0.003 0.000 0.975 180 Q CA 1.598 57.391 55.803 -0.017 0.000 0.836 180 Q CB -1.437 27.267 28.738 -0.058 0.000 0.896 180 Q HN 0.285 nan 8.270 nan 0.000 0.428 181 P HA -0.142 nan 4.420 nan 0.000 0.218 181 P C 0.719 178.047 177.300 0.047 0.000 1.149 181 P CA 1.197 64.310 63.100 0.022 0.000 0.817 181 P CB 0.017 31.729 31.700 0.020 0.000 0.785 182 L N -1.156 120.121 121.223 0.089 0.000 2.591 182 L HA 0.138 4.478 4.340 -0.000 0.000 0.228 182 L C 0.442 177.363 176.870 0.084 0.000 1.133 182 L CA 0.146 55.055 54.840 0.116 0.000 0.880 182 L CB -0.723 41.471 42.059 0.225 0.000 1.033 182 L HN -0.025 nan 8.230 nan 0.000 0.450 183 K N 0.581 121.006 120.400 0.043 0.000 3.117 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.269 183 K C -0.273 176.327 176.600 -0.001 0.000 1.098 183 K CA 0.393 56.686 56.287 0.010 0.000 0.785 183 K CB -1.996 30.514 32.500 0.016 0.000 1.242 183 K HN 0.330 nan 8.250 nan 0.000 0.491 184 L N 1.342 122.552 121.223 -0.021 0.000 2.389 184 L HA 0.142 4.482 4.340 -0.000 0.000 0.265 184 L C 0.913 177.628 176.870 -0.258 0.000 1.167 184 L CA -0.486 54.290 54.840 -0.108 0.000 1.045 184 L CB 0.071 42.039 42.059 -0.151 0.000 1.351 184 L HN 0.141 nan 8.230 nan 0.000 0.419 185 N N 0.207 118.771 118.700 -0.228 0.000 2.398 185 N HA -0.002 4.737 4.740 -0.000 0.000 0.188 185 N C 0.561 175.650 175.510 -0.701 0.000 1.122 185 N CA 0.541 53.347 53.050 -0.406 0.000 0.866 185 N CB 0.239 38.521 38.487 -0.341 0.000 0.970 185 N HN 0.486 nan 8.380 nan 0.000 0.462 186 H N -0.982 117.995 119.070 -0.155 0.000 2.651 186 H HA 0.285 4.841 4.556 -0.000 0.000 0.241 186 H C -0.400 174.813 175.328 -0.190 0.000 1.225 186 H CA -0.088 55.927 56.048 -0.056 0.000 0.942 186 H CB 0.374 30.132 29.762 -0.007 0.000 1.996 186 H HN -0.144 nan 8.280 nan 0.000 0.600 187 T N 0.773 115.016 114.554 -0.519 0.000 2.841 187 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 187 T C -0.833 173.182 174.700 -1.142 0.000 0.991 187 T CA -0.451 61.160 62.100 -0.816 0.000 0.966 187 T CB 1.544 69.695 68.868 -1.195 0.000 0.962 187 T HN 0.236 nan 8.240 nan 0.000 0.438 188 W N 1.809 122.782 121.300 -0.546 0.000 3.217 188 W HA 0.528 5.188 4.660 0.000 0.000 0.323 188 W C 0.578 176.965 176.519 -0.220 0.000 1.216 188 W CA -0.804 56.366 57.345 -0.292 0.000 1.194 188 W CB 1.133 30.438 29.460 -0.258 0.000 1.397 188 W HN 0.511 nan 8.180 nan 0.000 0.537 189 I N 1.542 122.224 120.570 0.187 0.000 2.339 189 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 189 I C 0.462 176.611 176.117 0.053 0.000 1.096 189 I CA 0.945 62.299 61.300 0.090 0.000 1.408 189 I CB -0.063 38.001 38.000 0.106 0.000 1.092 189 I HN 0.262 nan 8.210 nan 0.000 0.423 190 N N 1.291 120.067 118.700 0.127 0.000 2.476 190 N HA 0.246 4.986 4.740 -0.000 0.000 0.257 190 N C -0.872 174.567 175.510 -0.119 0.000 0.970 190 N CA -0.223 52.828 53.050 0.001 0.000 0.938 190 N CB 2.402 40.894 38.487 0.009 0.000 1.144 190 N HN -0.187 nan 8.380 nan 0.000 0.500 191 V N 4.890 124.641 119.914 -0.271 0.000 2.485 191 V HA 0.123 4.243 4.120 -0.000 0.000 0.287 191 V C -1.431 174.339 176.094 -0.539 0.000 1.022 191 V CA -0.744 61.258 62.300 -0.496 0.000 1.067 191 V CB 0.351 31.861 31.823 -0.522 0.000 0.967 191 V HN 0.517 nan 8.190 nan 0.000 0.479 192 P HA 0.327 nan 4.420 nan 0.000 0.278 192 P C -2.377 174.697 177.300 -0.377 0.000 1.266 192 P CA -1.991 60.740 63.100 -0.614 0.000 0.807 192 P CB 0.739 31.919 31.700 -0.866 0.000 1.094 193 P HA -0.163 nan 4.420 nan 0.000 0.216 193 P C 1.466 178.688 177.300 -0.131 0.000 1.150 193 P CA 2.103 65.114 63.100 -0.148 0.000 0.843 193 P CB -0.461 31.176 31.700 -0.105 0.000 0.787 194 A N -0.280 122.449 122.820 -0.152 0.000 2.070 194 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 194 A C 1.978 179.510 177.584 -0.088 0.000 1.159 194 A CA 1.419 53.397 52.037 -0.098 0.000 0.656 194 A CB -0.725 18.227 19.000 -0.079 0.000 0.800 194 A HN 0.111 nan 8.150 nan 0.000 0.453 195 E N -0.474 119.631 120.200 -0.158 0.000 2.472 195 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 195 E C 1.356 177.906 176.600 -0.083 0.000 1.033 195 E CA 0.119 56.449 56.400 -0.117 0.000 0.886 195 E CB -0.011 29.571 29.700 -0.197 0.000 0.944 195 E HN 0.744 nan 8.360 nan 0.000 0.492 196 E N 1.432 121.585 120.200 -0.078 0.000 2.085 196 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 196 E C 1.982 178.594 176.600 0.021 0.000 0.994 196 E CA 1.463 57.856 56.400 -0.013 0.000 0.801 196 E CB -0.133 29.558 29.700 -0.015 0.000 0.743 196 E HN 0.246 nan 8.360 nan 0.000 0.453 197 K N 0.434 120.841 120.400 0.012 0.000 2.280 197 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 197 K C 1.213 177.834 176.600 0.035 0.000 1.047 197 K CA 1.292 57.597 56.287 0.029 0.000 0.942 197 K CB -0.000 32.513 32.500 0.022 0.000 0.739 197 K HN 0.004 nan 8.250 nan 0.000 0.457 198 N N -0.103 118.614 118.700 0.029 0.000 2.280 198 N HA -0.060 4.680 4.740 -0.000 0.000 0.192 198 N C -0.625 174.919 175.510 0.057 0.000 1.109 198 N CA 0.094 53.162 53.050 0.029 0.000 0.855 198 N CB 0.116 38.609 38.487 0.010 0.000 0.974 198 N HN 0.191 nan 8.380 nan 0.000 0.482 199 Y N 2.993 123.217 120.300 -0.127 0.000 2.486 199 Y HA 0.428 4.978 4.550 0.000 0.000 0.348 199 Y C 0.188 175.987 175.900 -0.168 0.000 1.000 199 Y CA -1.862 56.123 58.100 -0.191 0.000 1.253 199 Y CB -0.456 37.827 38.460 -0.295 0.000 1.140 199 Y HN -0.037 nan 8.280 nan 0.000 0.526 200 A N 6.126 129.008 122.820 0.103 0.000 2.507 200 A HA 0.085 4.405 4.320 -0.000 0.000 0.235 200 A C -0.519 177.068 177.584 0.005 0.000 1.070 200 A CA -0.250 51.811 52.037 0.041 0.000 0.768 200 A CB 0.049 19.029 19.000 -0.032 0.000 1.011 200 A HN 0.869 nan 8.150 nan 0.000 0.502 201 W N 0.676 121.994 121.300 0.029 0.000 2.261 201 W HA 0.474 5.134 4.660 0.000 0.000 0.323 201 W C 0.937 177.185 176.519 -0.452 0.000 1.243 201 W CA 0.602 57.774 57.345 -0.288 0.000 1.210 201 W CB 0.953 30.088 29.460 -0.542 0.000 1.149 201 W HN 0.934 nan 8.180 nan 0.000 0.562 202 G N 1.376 109.994 108.800 -0.304 0.000 2.476 202 G HA2 0.491 4.451 3.960 -0.000 0.000 0.286 202 G HA3 0.491 4.451 3.960 -0.000 0.000 0.286 202 G C -2.110 172.392 174.900 -0.663 0.000 1.177 202 G CA -0.489 44.166 45.100 -0.741 0.000 0.870 202 G HN 0.422 nan 8.290 nan 0.000 0.528 203 Y N -0.286 119.937 120.300 -0.129 0.000 2.338 203 Y HA 0.540 5.090 4.550 -0.000 0.000 0.333 203 Y C 0.420 176.314 175.900 -0.011 0.000 0.968 203 Y CA -0.798 57.276 58.100 -0.044 0.000 1.123 203 Y CB 2.260 40.698 38.460 -0.036 0.000 1.165 203 Y HN 0.483 nan 8.280 nan 0.000 0.452 204 R N 2.810 123.364 120.500 0.090 0.000 2.483 204 R HA 0.300 4.640 4.340 -0.000 0.000 0.303 204 R C -0.652 175.688 176.300 0.067 0.000 0.987 204 R CA -0.386 55.759 56.100 0.075 0.000 0.881 204 R CB 0.723 31.055 30.300 0.054 0.000 1.177 204 R HN 0.923 nan 8.270 nan 0.000 0.451 205 E N 2.657 122.897 120.200 0.066 0.000 2.360 205 E HA -0.270 4.080 4.350 -0.000 0.000 0.238 205 E C 0.542 177.173 176.600 0.051 0.000 1.186 205 E CA 0.759 57.188 56.400 0.047 0.000 0.719 205 E CB -1.129 28.590 29.700 0.032 0.000 1.236 205 E HN 1.183 nan 8.360 nan 0.000 0.386 206 G N -0.590 108.262 108.800 0.087 0.000 2.184 206 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 206 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 206 G C 0.213 175.202 174.900 0.149 0.000 0.975 206 G CA 0.790 45.952 45.100 0.103 0.000 0.642 206 G HN 0.128 nan 8.290 nan 0.000 0.536 207 K N 0.712 121.170 120.400 0.095 0.000 2.130 207 K HA 0.721 5.041 4.320 -0.000 0.000 0.268 207 K C 0.494 177.040 176.600 -0.089 0.000 0.983 207 K CA 0.107 56.399 56.287 0.008 0.000 0.893 207 K CB 1.565 34.044 32.500 -0.034 0.000 1.066 207 K HN 0.612 nan 8.250 nan 0.000 0.450 208 A N 2.336 124.990 122.820 -0.278 0.000 2.409 208 A HA 0.428 4.748 4.320 -0.000 0.000 0.267 208 A C 0.042 177.402 177.584 -0.374 0.000 1.127 208 A CA -0.446 51.208 52.037 -0.638 0.000 0.795 208 A CB -0.114 18.310 19.000 -0.961 0.000 1.061 208 A HN 0.497 nan 8.150 nan 0.000 0.502 209 V N 1.080 120.909 119.914 -0.142 0.000 2.971 209 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 209 V C -0.746 175.463 176.094 0.191 0.000 1.130 209 V CA -0.814 61.526 62.300 0.066 0.000 0.964 209 V CB 1.142 32.993 31.823 0.046 0.000 1.029 209 V HN 0.959 nan 8.190 nan 0.000 0.427 210 H N 1.063 120.281 119.070 0.246 0.000 2.670 210 H HA 0.691 5.247 4.556 0.000 0.000 0.361 210 H C -0.286 175.139 175.328 0.162 0.000 1.169 210 H CA -0.951 55.173 56.048 0.127 0.000 1.198 210 H CB 2.264 31.966 29.762 -0.099 0.000 1.700 210 H HN 0.795 nan 8.280 nan 0.000 0.542 211 V N 2.309 122.415 119.914 0.321 0.000 2.694 211 V HA -0.023 4.097 4.120 -0.000 0.000 0.306 211 V C -0.227 175.989 176.094 0.204 0.000 1.054 211 V CA 0.324 62.766 62.300 0.237 0.000 1.161 211 V CB 0.632 32.596 31.823 0.234 0.000 0.916 211 V HN 0.769 nan 8.190 nan 0.000 0.490 212 S N 7.347 123.151 115.700 0.173 0.000 2.610 212 S HA 0.502 4.972 4.470 -0.000 0.000 0.273 212 S C -2.356 172.334 174.600 0.151 0.000 1.274 212 S CA -0.783 57.502 58.200 0.142 0.000 1.023 212 S CB 1.062 64.327 63.200 0.108 0.000 0.962 212 S HN 0.820 nan 8.310 nan 0.000 0.523 213 P HA 0.429 nan 4.420 nan 0.000 0.268 213 P C -0.102 177.254 177.300 0.094 0.000 1.205 213 P CA 0.002 63.152 63.100 0.083 0.000 0.771 213 P CB 0.353 32.083 31.700 0.050 0.000 0.858 214 G N 0.174 109.023 108.800 0.081 0.000 2.677 214 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 214 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 214 G C -1.406 173.492 174.900 -0.003 0.000 1.435 214 G CA -0.556 44.590 45.100 0.078 0.000 0.826 214 G HN 0.532 nan 8.290 nan 0.000 0.491 215 A N 0.208 123.019 122.820 -0.015 0.000 2.520 215 A HA 0.539 4.859 4.320 -0.000 0.000 0.245 215 A C 1.349 178.877 177.584 -0.094 0.000 1.072 215 A CA 0.500 52.505 52.037 -0.055 0.000 0.761 215 A CB -0.428 18.540 19.000 -0.053 0.000 1.004 215 A HN 1.735 nan 8.150 nan 0.000 0.499 216 L N 0.448 121.580 121.223 -0.152 0.000 4.232 216 L HA -0.320 4.020 4.340 -0.000 0.000 0.415 216 L C 1.238 177.869 176.870 -0.398 0.000 1.168 216 L CA 0.646 55.343 54.840 -0.237 0.000 0.966 216 L CB -1.826 40.148 42.059 -0.141 0.000 2.052 216 L HN 1.003 nan 8.230 nan 0.000 0.887 217 D N 0.406 120.522 120.400 -0.475 0.000 2.097 217 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 217 D C 1.970 177.840 176.300 -0.717 0.000 0.989 217 D CA 1.537 54.978 54.000 -0.931 0.000 0.827 217 D CB -0.163 40.286 40.800 -0.585 0.000 0.966 217 D HN 0.442 nan 8.370 nan 0.000 0.456 218 A N 0.759 123.328 122.820 -0.419 0.000 1.908 218 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 218 A C 2.118 179.504 177.584 -0.331 0.000 1.181 218 A CA 2.065 53.945 52.037 -0.262 0.000 0.627 218 A CB -0.698 18.227 19.000 -0.125 0.000 0.818 218 A HN 0.250 nan 8.150 nan 0.000 0.445 219 E N -0.587 119.229 120.200 -0.639 0.000 2.158 219 E HA 0.176 4.526 4.350 -0.000 0.000 0.191 219 E C 1.937 178.384 176.600 -0.256 0.000 0.982 219 E CA 1.131 57.095 56.400 -0.726 0.000 0.823 219 E CB -0.187 28.994 29.700 -0.864 0.000 0.766 219 E HN 0.593 nan 8.360 nan 0.000 0.468 220 A N -0.394 122.275 122.820 -0.251 0.000 2.055 220 A HA 0.109 4.429 4.320 -0.000 0.000 0.205 220 A C 0.782 178.438 177.584 0.121 0.000 1.235 220 A CA 0.474 52.489 52.037 -0.037 0.000 0.822 220 A CB 0.023 19.048 19.000 0.043 0.000 0.903 220 A HN 0.402 nan 8.150 nan 0.000 0.473 221 Y N -4.384 115.926 120.300 0.017 0.000 2.998 221 Y HA 0.479 5.029 4.550 -0.000 0.000 0.264 221 Y C 0.800 176.713 175.900 0.021 0.000 1.092 221 Y CA -0.370 57.754 58.100 0.041 0.000 1.247 221 Y CB -0.347 38.145 38.460 0.054 0.000 1.283 221 Y HN -0.003 nan 8.280 nan 0.000 0.605 222 G N 0.741 109.504 108.800 -0.061 0.000 3.393 222 G HA2 0.397 4.357 3.960 -0.000 0.000 0.255 222 G HA3 0.397 4.357 3.960 -0.000 0.000 0.255 222 G C -0.345 174.525 174.900 -0.050 0.000 1.097 222 G CA -0.007 45.052 45.100 -0.068 0.000 0.780 222 G HN 0.105 nan 8.290 nan 0.000 0.540 223 V N 0.571 120.449 119.914 -0.060 0.000 2.607 223 V HA 0.430 4.550 4.120 -0.000 0.000 0.289 223 V C -0.258 175.721 176.094 -0.191 0.000 1.053 223 V CA -0.424 61.777 62.300 -0.165 0.000 0.996 223 V CB 1.471 33.101 31.823 -0.322 0.000 0.995 223 V HN 0.150 nan 8.190 nan 0.000 0.476 224 K N 2.333 122.578 120.400 -0.257 0.000 2.324 224 K HA 0.791 5.111 4.320 -0.000 0.000 0.253 224 K C -0.574 175.875 176.600 -0.252 0.000 0.932 224 K CA -0.193 55.930 56.287 -0.273 0.000 0.799 224 K CB 2.020 34.250 32.500 -0.449 0.000 1.154 224 K HN 0.708 nan 8.250 nan 0.000 0.425 225 S N 0.225 115.851 115.700 -0.124 0.000 2.615 225 S HA 0.578 5.048 4.470 -0.000 0.000 0.269 225 S C -1.128 173.532 174.600 0.100 0.000 1.161 225 S CA -0.723 57.424 58.200 -0.087 0.000 0.817 225 S CB 0.983 64.089 63.200 -0.157 0.000 1.131 225 S HN 0.683 nan 8.310 nan 0.000 0.467 226 T N 0.298 114.915 114.554 0.104 0.000 2.912 226 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 226 T C 1.282 176.093 174.700 0.186 0.000 0.989 226 T CA -0.491 61.716 62.100 0.179 0.000 0.995 226 T CB 0.723 69.644 68.868 0.088 0.000 1.077 226 T HN 0.460 nan 8.240 nan 0.000 0.531 227 I N 0.625 121.318 120.570 0.205 0.000 2.394 227 I HA -0.029 4.141 4.170 -0.000 0.000 0.251 227 I C 2.356 178.614 176.117 0.235 0.000 1.136 227 I CA 1.439 62.869 61.300 0.217 0.000 1.425 227 I CB -0.594 37.553 38.000 0.244 0.000 1.079 227 I HN 0.810 nan 8.210 nan 0.000 0.425 228 E N -0.011 120.239 120.200 0.083 0.000 2.072 228 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 228 E C 1.643 178.340 176.600 0.161 0.000 0.985 228 E CA 1.347 57.800 56.400 0.087 0.000 0.801 228 E CB -0.147 29.495 29.700 -0.097 0.000 0.750 228 E HN 0.493 nan 8.360 nan 0.000 0.452 229 D N 0.250 120.727 120.400 0.128 0.000 2.144 229 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 229 D C 1.839 178.261 176.300 0.204 0.000 0.978 229 D CA 0.890 54.966 54.000 0.126 0.000 0.833 229 D CB -0.014 40.807 40.800 0.035 0.000 0.961 229 D HN 0.080 nan 8.370 nan 0.000 0.470 230 M N 0.328 120.063 119.600 0.225 0.000 2.229 230 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 230 M C 2.215 178.698 176.300 0.304 0.000 1.063 230 M CA 0.601 56.088 55.300 0.311 0.000 1.114 230 M CB -1.005 31.759 32.600 0.274 0.000 1.387 230 M HN -0.029 nan 8.290 nan 0.000 0.420 231 A N 0.003 122.979 122.820 0.261 0.000 1.902 231 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 231 A C 2.385 180.049 177.584 0.133 0.000 1.181 231 A CA 1.860 54.008 52.037 0.185 0.000 0.623 231 A CB -0.699 18.430 19.000 0.215 0.000 0.818 231 A HN 0.464 nan 8.150 nan 0.000 0.443 232 R N -1.419 119.185 120.500 0.174 0.000 2.092 232 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 232 R C 2.123 178.535 176.300 0.186 0.000 1.119 232 R CA 1.333 57.517 56.100 0.139 0.000 0.970 232 R CB -0.355 30.031 30.300 0.144 0.000 0.864 232 R HN 0.836 nan 8.270 nan 0.000 0.440 233 W N 0.483 121.812 121.300 0.048 0.000 2.355 233 W HA -0.210 4.450 4.660 0.000 0.000 0.309 233 W C 1.394 177.864 176.519 -0.082 0.000 1.206 233 W CA 1.288 58.649 57.345 0.027 0.000 1.284 233 W CB -0.074 29.452 29.460 0.110 0.000 1.145 233 W HN -0.036 nan 8.180 nan 0.000 0.502 234 V N 1.014 120.883 119.914 -0.075 0.000 2.343 234 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 234 V C 2.373 178.163 176.094 -0.506 0.000 1.051 234 V CA 2.388 64.450 62.300 -0.397 0.000 1.036 234 V CB -1.183 30.534 31.823 -0.177 0.000 0.654 234 V HN 0.155 nan 8.190 nan 0.000 0.451 235 Q N 0.507 120.145 119.800 -0.270 0.000 2.135 235 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 235 Q C 2.341 178.159 176.000 -0.303 0.000 0.981 235 Q CA 2.279 57.928 55.803 -0.256 0.000 0.856 235 Q CB -0.543 28.116 28.738 -0.131 0.000 0.902 235 Q HN 0.632 nan 8.270 nan 0.000 0.425 236 S N 0.402 115.935 115.700 -0.279 0.000 2.383 236 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 236 S C 1.544 175.885 174.600 -0.433 0.000 1.026 236 S CA 1.059 59.098 58.200 -0.267 0.000 0.981 236 S CB -0.249 62.867 63.200 -0.141 0.000 0.818 236 S HN 0.486 nan 8.310 nan 0.000 0.472 237 N N 1.127 119.393 118.700 -0.723 0.000 2.354 237 N HA 0.119 4.859 4.740 -0.000 0.000 0.179 237 N C 1.600 176.592 175.510 -0.862 0.000 1.021 237 N CA 0.514 53.042 53.050 -0.870 0.000 0.887 237 N CB -0.144 37.599 38.487 -1.239 0.000 0.974 237 N HN 0.325 nan 8.380 nan 0.000 0.437 238 L N 0.380 121.065 121.223 -0.897 0.000 2.093 238 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 238 L C 1.183 177.867 176.870 -0.310 0.000 1.085 238 L CA 1.095 55.597 54.840 -0.563 0.000 0.755 238 L CB 0.100 41.891 42.059 -0.447 0.000 0.904 238 L HN -0.046 nan 8.230 nan 0.000 0.435 239 K N -0.688 119.541 120.400 -0.285 0.000 3.029 239 K HA 0.190 4.510 4.320 -0.000 0.000 0.169 239 K C -1.958 174.545 176.600 -0.160 0.000 1.090 239 K CA -1.182 54.994 56.287 -0.185 0.000 0.883 239 K CB 1.035 33.441 32.500 -0.158 0.000 1.080 239 K HN -0.158 nan 8.250 nan 0.000 0.613 240 P HA -0.146 nan 4.420 nan 0.000 0.222 240 P C 0.986 178.238 177.300 -0.081 0.000 1.147 240 P CA 0.830 63.858 63.100 -0.120 0.000 0.790 240 P CB 0.223 31.857 31.700 -0.109 0.000 0.780 241 L N -0.304 120.874 121.223 -0.076 0.000 2.353 241 L HA -0.106 4.234 4.340 -0.000 0.000 0.220 241 L C 1.656 178.495 176.870 -0.052 0.000 1.133 241 L CA 1.162 55.968 54.840 -0.057 0.000 0.798 241 L CB -0.926 41.101 42.059 -0.053 0.000 0.922 241 L HN -0.086 nan 8.230 nan 0.000 0.445 242 D N -0.181 120.183 120.400 -0.060 0.000 2.355 242 D HA 0.046 4.686 4.640 -0.000 0.000 0.218 242 D C 0.603 176.879 176.300 -0.040 0.000 1.004 242 D CA 0.495 54.465 54.000 -0.050 0.000 0.880 242 D CB 0.236 41.001 40.800 -0.059 0.000 0.911 242 D HN 0.067 nan 8.370 nan 0.000 0.528 243 I N 1.772 122.318 120.570 -0.040 0.000 2.396 243 I HA 0.035 4.205 4.170 -0.000 0.000 0.289 243 I C 1.356 177.462 176.117 -0.018 0.000 1.056 243 I CA -0.393 60.893 61.300 -0.024 0.000 1.365 243 I CB 0.645 38.632 38.000 -0.022 0.000 1.407 243 I HN -0.166 nan 8.210 nan 0.000 0.509 244 N N 3.977 122.670 118.700 -0.012 0.000 2.409 244 N HA -0.074 4.666 4.740 -0.000 0.000 0.179 244 N C 0.107 175.612 175.510 -0.008 0.000 1.032 244 N CA 0.473 53.516 53.050 -0.011 0.000 0.898 244 N CB 0.229 38.710 38.487 -0.010 0.000 0.971 244 N HN 0.542 nan 8.380 nan 0.000 0.441 245 E N 1.023 121.220 120.200 -0.005 0.000 2.166 245 E HA 0.101 4.451 4.350 -0.000 0.000 0.279 245 E C 0.723 177.321 176.600 -0.003 0.000 1.095 245 E CA 0.010 56.408 56.400 -0.004 0.000 0.888 245 E CB 0.903 30.603 29.700 -0.000 0.000 1.041 245 E HN 0.111 nan 8.360 nan 0.000 0.414 246 K N 1.070 121.468 120.400 -0.005 0.000 2.057 246 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 246 K C 1.951 178.552 176.600 0.001 0.000 1.049 246 K CA 1.845 58.130 56.287 -0.004 0.000 0.931 246 K CB -0.160 32.337 32.500 -0.005 0.000 0.714 246 K HN 0.585 nan 8.250 nan 0.000 0.440 247 T N -0.073 114.482 114.554 0.002 0.000 2.904 247 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 247 T C 1.823 176.533 174.700 0.015 0.000 1.059 247 T CA 0.681 62.785 62.100 0.007 0.000 1.137 247 T CB -0.162 68.707 68.868 0.001 0.000 0.879 247 T HN 0.036 nan 8.240 nan 0.000 0.467 248 L N 1.171 122.403 121.223 0.015 0.000 2.072 248 L HA 0.114 4.454 4.340 -0.000 0.000 0.205 248 L C 2.812 179.698 176.870 0.027 0.000 1.079 248 L CA 1.792 56.651 54.840 0.031 0.000 0.752 248 L CB -1.056 41.025 42.059 0.036 0.000 0.906 248 L HN 0.382 nan 8.230 nan 0.000 0.436 249 Q N -0.803 119.003 119.800 0.009 0.000 2.045 249 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 249 Q C 2.201 178.201 176.000 0.000 0.000 0.991 249 Q CA 2.435 58.234 55.803 -0.007 0.000 0.851 249 Q CB -0.187 28.543 28.738 -0.014 0.000 0.911 249 Q HN 0.661 nan 8.270 nan 0.000 0.418 250 Q N -0.766 119.039 119.800 0.009 0.000 2.124 250 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 250 Q C 2.048 178.071 176.000 0.039 0.000 0.977 250 Q CA 1.211 57.025 55.803 0.018 0.000 0.850 250 Q CB -0.249 28.499 28.738 0.017 0.000 0.901 250 Q HN 0.591 nan 8.270 nan 0.000 0.429 251 G N 0.837 109.667 108.800 0.050 0.000 2.418 251 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 251 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 251 G C 1.391 176.352 174.900 0.101 0.000 1.158 251 G CA 0.581 45.730 45.100 0.082 0.000 0.771 251 G HN 0.227 nan 8.290 nan 0.000 0.545 252 I N 0.353 120.964 120.570 0.069 0.000 2.163 252 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 252 I C 3.050 179.194 176.117 0.045 0.000 1.085 252 I CA 1.355 62.682 61.300 0.046 0.000 1.347 252 I CB -0.278 37.694 38.000 -0.046 0.000 1.044 252 I HN 0.241 nan 8.210 nan 0.000 0.408 253 Q N 0.437 120.250 119.800 0.022 0.000 2.050 253 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 253 Q C 2.371 178.404 176.000 0.054 0.000 0.980 253 Q CA 1.436 57.247 55.803 0.013 0.000 0.840 253 Q CB -0.204 28.531 28.738 -0.005 0.000 0.898 253 Q HN 0.517 nan 8.270 nan 0.000 0.424 254 L N 0.084 121.362 121.223 0.091 0.000 2.131 254 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 254 L C 2.368 179.389 176.870 0.251 0.000 1.092 254 L CA 0.740 55.672 54.840 0.153 0.000 0.759 254 L CB -0.478 41.679 42.059 0.163 0.000 0.903 254 L HN 0.221 nan 8.230 nan 0.000 0.435 255 A N -0.843 122.122 122.820 0.242 0.000 2.066 255 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 255 A C 2.042 179.848 177.584 0.369 0.000 1.157 255 A CA 1.080 53.316 52.037 0.331 0.000 0.670 255 A CB -0.207 19.020 19.000 0.378 0.000 0.804 255 A HN 0.483 nan 8.150 nan 0.000 0.453 256 Q N -0.044 119.889 119.800 0.221 0.000 2.247 256 Q HA 0.197 4.537 4.340 -0.000 0.000 0.204 256 Q C -0.141 175.888 176.000 0.048 0.000 0.872 256 Q CA -0.330 55.547 55.803 0.124 0.000 0.951 256 Q CB 0.455 29.192 28.738 -0.001 0.000 1.099 256 Q HN 0.494 nan 8.270 nan 0.000 0.501 257 S N 0.909 116.624 115.700 0.026 0.000 2.579 257 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 257 S C 0.070 174.510 174.600 -0.267 0.000 1.345 257 S CA -0.137 57.935 58.200 -0.213 0.000 1.031 257 S CB 0.576 63.521 63.200 -0.424 0.000 0.892 257 S HN 0.233 nan 8.310 nan 0.000 0.529 258 R N 1.472 121.775 120.500 -0.328 0.000 2.204 258 R HA 0.248 4.588 4.340 -0.000 0.000 0.341 258 R C -0.384 175.761 176.300 -0.259 0.000 1.035 258 R CA -0.138 55.876 56.100 -0.143 0.000 0.887 258 R CB 0.401 30.605 30.300 -0.160 0.000 1.114 258 R HN 0.690 nan 8.270 nan 0.000 0.473 259 Y N 0.621 120.930 120.300 0.014 0.000 2.479 259 Y HA 0.138 4.688 4.550 0.000 0.000 0.283 259 Y C 0.172 175.792 175.900 -0.466 0.000 1.109 259 Y CA 0.356 58.307 58.100 -0.247 0.000 1.239 259 Y CB 0.549 38.869 38.460 -0.233 0.000 1.108 259 Y HN 0.455 nan 8.280 nan 0.000 0.548 260 W N -0.282 121.183 121.300 0.276 0.000 3.107 260 W HA 0.557 5.217 4.660 0.000 0.000 0.331 260 W C -0.892 175.735 176.519 0.179 0.000 1.204 260 W CA -0.977 56.486 57.345 0.197 0.000 1.184 260 W CB 1.172 30.732 29.460 0.167 0.000 1.421 260 W HN -0.460 nan 8.180 nan 0.000 0.544 261 Q N 1.504 121.502 119.800 0.329 0.000 2.353 261 Q HA 0.669 5.009 4.340 -0.000 0.000 0.268 261 Q C -0.858 175.161 176.000 0.032 0.000 1.045 261 Q CA -0.554 55.272 55.803 0.039 0.000 0.811 261 Q CB 2.157 30.854 28.738 -0.068 0.000 1.305 261 Q HN 0.492 nan 8.270 nan 0.000 0.447 262 T N 0.771 115.289 114.554 -0.059 0.000 2.949 262 T HA 0.662 5.012 4.350 -0.000 0.000 0.300 262 T C 0.587 175.230 174.700 -0.095 0.000 0.988 262 T CA 0.244 62.316 62.100 -0.048 0.000 0.993 262 T CB 1.257 70.114 68.868 -0.018 0.000 0.984 262 T HN 1.004 nan 8.240 nan 0.000 0.442 263 G N 4.841 113.588 108.800 -0.089 0.000 2.611 263 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.301 263 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.301 263 G C 0.424 175.236 174.900 -0.148 0.000 1.233 263 G CA 0.778 45.821 45.100 -0.094 0.000 0.993 263 G HN 1.230 nan 8.290 nan 0.000 0.553 264 D N -0.064 120.257 120.400 -0.131 0.000 2.325 264 D HA 0.301 4.941 4.640 -0.000 0.000 0.225 264 D C 1.086 177.277 176.300 -0.183 0.000 1.096 264 D CA 0.445 54.359 54.000 -0.143 0.000 0.844 264 D CB 0.149 40.902 40.800 -0.079 0.000 0.925 264 D HN 0.492 nan 8.370 nan 0.000 0.513 265 M N 0.716 120.185 119.600 -0.218 0.000 2.578 265 M HA 0.430 4.910 4.480 -0.000 0.000 0.321 265 M C -1.863 174.267 176.300 -0.283 0.000 1.182 265 M CA -0.767 54.469 55.300 -0.107 0.000 0.965 265 M CB 1.790 34.434 32.600 0.073 0.000 1.694 265 M HN -0.140 nan 8.290 nan 0.000 0.461 266 Y N 1.299 121.708 120.300 0.182 0.000 2.409 266 Y HA 0.456 5.006 4.550 0.000 0.000 0.343 266 Y C -0.297 175.765 175.900 0.268 0.000 0.973 266 Y CA -0.687 57.536 58.100 0.204 0.000 1.064 266 Y CB 1.605 40.154 38.460 0.149 0.000 1.207 266 Y HN 0.589 nan 8.280 nan 0.000 0.452 267 Q N 1.854 121.932 119.800 0.463 0.000 2.296 267 Q HA 0.563 4.903 4.340 -0.000 0.000 0.257 267 Q C 0.017 176.314 176.000 0.495 0.000 0.942 267 Q CA -0.214 55.863 55.803 0.458 0.000 0.939 267 Q CB 1.201 30.221 28.738 0.470 0.000 1.198 267 Q HN 0.900 nan 8.270 nan 0.000 0.429 268 G N 2.767 111.831 108.800 0.441 0.000 2.641 268 G HA2 0.470 4.430 3.960 -0.000 0.000 0.239 268 G HA3 0.470 4.430 3.960 -0.000 0.000 0.239 268 G C -0.888 174.178 174.900 0.278 0.000 1.402 268 G CA -0.812 44.570 45.100 0.470 0.000 1.046 268 G HN 0.601 nan 8.290 nan 0.000 0.565 269 L N 1.132 122.492 121.223 0.228 0.000 2.270 269 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 269 L C 1.397 178.320 176.870 0.089 0.000 1.059 269 L CA 0.403 55.255 54.840 0.020 0.000 0.839 269 L CB 0.437 42.498 42.059 0.004 0.000 1.221 269 L HN 1.035 nan 8.230 nan 0.000 0.431 270 G N 2.083 110.904 108.800 0.035 0.000 4.039 270 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G C 0.043 174.988 174.900 0.076 0.000 1.391 270 G CA -0.144 44.973 45.100 0.029 0.000 0.920 270 G HN 0.521 nan 8.290 nan 0.000 0.599 271 W N 2.460 123.889 121.300 0.215 0.000 2.170 271 W HA 0.546 5.206 4.660 0.000 0.000 0.342 271 W C 0.858 177.521 176.519 0.240 0.000 1.294 271 W CA -0.123 57.344 57.345 0.203 0.000 1.246 271 W CB 0.363 29.916 29.460 0.154 0.000 1.156 271 W HN 0.352 nan 8.180 nan 0.000 0.572 272 E N 1.584 122.120 120.200 0.561 0.000 2.227 272 E HA 0.606 4.956 4.350 -0.000 0.000 0.268 272 E C -0.835 176.061 176.600 0.493 0.000 0.907 272 E CA -1.156 55.546 56.400 0.503 0.000 0.786 272 E CB 1.701 31.686 29.700 0.475 0.000 1.191 272 E HN 0.160 nan 8.360 nan 0.000 0.411 273 M N 1.796 121.644 119.600 0.414 0.000 2.501 273 M HA 0.461 4.941 4.480 -0.000 0.000 0.293 273 M C -1.560 174.971 176.300 0.385 0.000 1.192 273 M CA -0.364 55.124 55.300 0.315 0.000 0.886 273 M CB 1.730 34.447 32.600 0.196 0.000 1.710 273 M HN 0.308 nan 8.290 nan 0.000 0.457 274 L N 0.373 121.788 121.223 0.320 0.000 2.350 274 L HA 0.587 4.927 4.340 -0.000 0.000 0.260 274 L C -0.695 176.341 176.870 0.277 0.000 1.015 274 L CA -0.709 54.322 54.840 0.319 0.000 0.821 274 L CB 1.725 43.883 42.059 0.165 0.000 1.370 274 L HN 0.551 nan 8.230 nan 0.000 0.416 275 D N 0.739 121.289 120.400 0.251 0.000 2.424 275 D HA -0.023 4.617 4.640 -0.000 0.000 0.244 275 D C -0.901 175.518 176.300 0.198 0.000 1.134 275 D CA 0.188 54.295 54.000 0.179 0.000 0.881 275 D CB 1.111 41.986 40.800 0.125 0.000 1.191 275 D HN 0.358 nan 8.370 nan 0.000 0.445 276 W N 4.612 125.967 121.300 0.091 0.000 2.417 276 W HA 0.269 4.929 4.660 -0.000 0.000 0.317 276 W C -2.297 174.274 176.519 0.087 0.000 1.121 276 W CA -1.791 55.627 57.345 0.122 0.000 1.208 276 W CB 1.118 30.673 29.460 0.158 0.000 1.253 276 W HN 0.231 nan 8.180 nan 0.000 0.533 277 P HA 0.140 nan 4.420 nan 0.000 0.275 277 P C -0.428 176.492 177.300 -0.633 0.000 1.228 277 P CA -0.040 62.236 63.100 -1.373 0.000 0.786 277 P CB 1.549 32.658 31.700 -0.985 0.000 0.927 278 V N -0.057 119.481 119.914 -0.627 0.000 2.997 278 V HA 0.362 4.482 4.120 -0.000 0.000 0.311 278 V C 0.593 176.353 176.094 -0.557 0.000 1.066 278 V CA -1.043 60.980 62.300 -0.461 0.000 1.039 278 V CB 0.582 32.097 31.823 -0.514 0.000 1.081 278 V HN 0.573 nan 8.190 nan 0.000 0.467 279 N N 3.536 121.961 118.700 -0.459 0.000 2.401 279 N HA 0.283 5.023 4.740 -0.000 0.000 0.255 279 N C -1.235 173.881 175.510 -0.657 0.000 1.110 279 N CA -2.275 50.497 53.050 -0.462 0.000 0.949 279 N CB 1.216 39.524 38.487 -0.299 0.000 1.110 279 N HN 0.428 nan 8.380 nan 0.000 0.490 280 P HA -0.123 nan 4.420 nan 0.000 0.216 280 P C 0.206 177.131 177.300 -0.624 0.000 1.150 280 P CA 1.152 63.536 63.100 -1.192 0.000 0.837 280 P CB 0.441 31.121 31.700 -1.701 0.000 0.786 281 D N -0.525 119.621 120.400 -0.424 0.000 2.219 281 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 281 D C 2.168 178.332 176.300 -0.227 0.000 0.970 281 D CA 0.968 54.811 54.000 -0.262 0.000 0.851 281 D CB -0.560 40.128 40.800 -0.187 0.000 0.943 281 D HN 0.165 nan 8.370 nan 0.000 0.488 282 S N 0.551 116.098 115.700 -0.255 0.000 2.355 282 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 282 S C 2.158 176.654 174.600 -0.173 0.000 1.031 282 S CA 0.908 58.992 58.200 -0.193 0.000 0.993 282 S CB -0.190 62.895 63.200 -0.192 0.000 0.859 282 S HN 0.404 nan 8.310 nan 0.000 0.453 283 I N -1.037 119.382 120.570 -0.251 0.000 2.439 283 I HA 0.024 4.194 4.170 -0.000 0.000 0.251 283 I C 2.084 178.149 176.117 -0.087 0.000 1.139 283 I CA 1.083 62.290 61.300 -0.154 0.000 1.438 283 I CB -0.490 37.329 38.000 -0.302 0.000 1.085 283 I HN 0.229 nan 8.210 nan 0.000 0.427 284 I N 2.222 122.698 120.570 -0.157 0.000 2.133 284 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 284 I C 2.237 178.306 176.117 -0.079 0.000 1.074 284 I CA 2.106 63.343 61.300 -0.105 0.000 1.342 284 I CB -0.657 37.269 38.000 -0.125 0.000 1.053 284 I HN 0.283 nan 8.210 nan 0.000 0.404 285 N N 0.500 119.146 118.700 -0.090 0.000 2.244 285 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 285 N C 1.876 177.352 175.510 -0.056 0.000 1.016 285 N CA 0.992 54.001 53.050 -0.069 0.000 0.866 285 N CB -0.259 38.183 38.487 -0.074 0.000 0.980 285 N HN 0.392 nan 8.380 nan 0.000 0.430 286 G N 0.336 109.105 108.800 -0.052 0.000 2.509 286 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 286 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 286 G C 1.516 176.405 174.900 -0.018 0.000 1.124 286 G CA 0.849 45.931 45.100 -0.030 0.000 0.776 286 G HN 0.415 nan 8.290 nan 0.000 0.547 287 S N -0.397 115.292 115.700 -0.019 0.000 2.527 287 S HA 0.025 4.495 4.470 -0.000 0.000 0.222 287 S C 0.765 175.324 174.600 -0.069 0.000 0.985 287 S CA -0.044 58.135 58.200 -0.034 0.000 0.921 287 S CB 0.003 63.184 63.200 -0.032 0.000 0.772 287 S HN 0.288 nan 8.310 nan 0.000 0.529 288 D N 1.938 122.302 120.400 -0.060 0.000 2.455 288 D HA 0.062 4.702 4.640 -0.000 0.000 0.241 288 D C 0.410 176.670 176.300 -0.067 0.000 1.138 288 D CA 0.024 53.988 54.000 -0.059 0.000 0.877 288 D CB 0.563 41.336 40.800 -0.046 0.000 1.187 288 D HN 0.075 nan 8.370 nan 0.000 0.451 289 N N 3.197 121.856 118.700 -0.068 0.000 2.348 289 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 289 N C 1.323 176.803 175.510 -0.051 0.000 1.019 289 N CA 0.674 53.681 53.050 -0.073 0.000 0.880 289 N CB 0.032 38.481 38.487 -0.062 0.000 0.965 289 N HN 0.515 nan 8.380 nan 0.000 0.437 290 K N 0.128 120.506 120.400 -0.037 0.000 2.209 290 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 290 K C 1.486 178.069 176.600 -0.029 0.000 1.048 290 K CA 0.675 56.947 56.287 -0.025 0.000 0.940 290 K CB 0.187 32.675 32.500 -0.021 0.000 0.729 290 K HN 0.178 nan 8.250 nan 0.000 0.451 291 I N -0.153 120.392 120.570 -0.040 0.000 2.512 291 I HA -0.038 4.132 4.170 -0.000 0.000 0.247 291 I C 2.364 178.449 176.117 -0.054 0.000 1.094 291 I CA 0.705 61.980 61.300 -0.042 0.000 1.427 291 I CB -1.151 36.824 38.000 -0.042 0.000 1.149 291 I HN -0.019 nan 8.210 nan 0.000 0.438 292 A N 1.066 123.838 122.820 -0.081 0.000 2.019 292 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 292 A C 2.144 179.634 177.584 -0.157 0.000 1.164 292 A CA 1.249 53.206 52.037 -0.133 0.000 0.644 292 A CB -0.626 18.259 19.000 -0.192 0.000 0.805 292 A HN 0.441 nan 8.150 nan 0.000 0.449 293 L N -1.023 120.140 121.223 -0.101 0.000 2.607 293 L HA 0.277 4.617 4.340 -0.000 0.000 0.228 293 L C 1.081 177.959 176.870 0.013 0.000 1.123 293 L CA -0.112 54.704 54.840 -0.040 0.000 0.890 293 L CB -0.201 41.846 42.059 -0.020 0.000 1.103 293 L HN 0.347 nan 8.230 nan 0.000 0.468 294 A N 0.752 123.570 122.820 -0.004 0.000 2.316 294 A HA 0.683 5.003 4.320 -0.000 0.000 0.284 294 A C 0.457 178.039 177.584 -0.005 0.000 1.115 294 A CA -0.241 51.803 52.037 0.011 0.000 0.812 294 A CB 0.522 19.518 19.000 -0.007 0.000 1.064 294 A HN 0.192 nan 8.150 nan 0.000 0.489 295 A N 2.281 125.098 122.820 -0.006 0.000 2.462 295 A HA 0.561 4.881 4.320 -0.000 0.000 0.243 295 A C 0.399 177.873 177.584 -0.182 0.000 1.076 295 A CA 0.023 51.978 52.037 -0.136 0.000 0.773 295 A CB 0.117 18.940 19.000 -0.295 0.000 1.010 295 A HN 0.758 nan 8.150 nan 0.000 0.493 296 R N 1.837 122.208 120.500 -0.216 0.000 2.651 296 R HA 0.452 4.792 4.340 -0.000 0.000 0.278 296 R C -3.183 172.985 176.300 -0.220 0.000 1.010 296 R CA -2.013 53.979 56.100 -0.180 0.000 0.896 296 R CB 1.879 32.119 30.300 -0.100 0.000 1.211 296 R HN 0.480 nan 8.270 nan 0.000 0.456 297 P HA 0.075 nan 4.420 nan 0.000 0.271 297 P C -0.141 177.100 177.300 -0.098 0.000 1.216 297 P CA -0.263 62.735 63.100 -0.171 0.000 0.776 297 P CB 0.689 32.314 31.700 -0.124 0.000 0.881 298 V N 0.002 119.868 119.914 -0.080 0.000 2.667 298 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 298 V C -0.046 176.159 176.094 0.184 0.000 1.048 298 V CA -1.135 61.194 62.300 0.049 0.000 0.928 298 V CB 1.846 33.636 31.823 -0.055 0.000 1.004 298 V HN 0.415 nan 8.190 nan 0.000 0.444 299 K N 2.966 123.519 120.400 0.255 0.000 2.240 299 K HA 0.740 5.060 4.320 -0.000 0.000 0.271 299 K C 0.128 176.957 176.600 0.381 0.000 1.018 299 K CA -0.306 56.137 56.287 0.260 0.000 0.874 299 K CB 1.349 33.936 32.500 0.145 0.000 1.098 299 K HN 1.174 nan 8.250 nan 0.000 0.458 300 A N 5.201 128.213 122.820 0.321 0.000 2.511 300 A HA 0.217 4.537 4.320 -0.000 0.000 0.242 300 A C -0.062 177.478 177.584 -0.074 0.000 1.069 300 A CA -0.230 51.768 52.037 -0.064 0.000 0.763 300 A CB 0.039 18.947 19.000 -0.154 0.000 1.001 300 A HN 0.667 nan 8.150 nan 0.000 0.498 301 I N 3.759 124.219 120.570 -0.184 0.000 2.307 301 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 301 I C 0.356 176.377 176.117 -0.161 0.000 1.054 301 I CA 0.222 61.459 61.300 -0.104 0.000 1.218 301 I CB 0.283 38.248 38.000 -0.058 0.000 1.398 301 I HN 0.673 nan 8.210 nan 0.000 0.475 302 T N 4.932 119.424 114.554 -0.104 0.000 2.842 302 T HA 0.648 4.998 4.350 -0.000 0.000 0.308 302 T C -1.632 173.029 174.700 -0.066 0.000 1.041 302 T CA -1.245 60.799 62.100 -0.094 0.000 0.964 302 T CB 1.384 70.214 68.868 -0.064 0.000 0.972 302 T HN 0.362 nan 8.240 nan 0.000 0.460 303 P HA 0.514 nan 4.420 nan 0.000 0.278 303 P C -2.984 174.228 177.300 -0.148 0.000 1.266 303 P CA -1.970 61.070 63.100 -0.099 0.000 0.807 303 P CB -0.240 31.415 31.700 -0.075 0.000 1.094 304 P HA 0.089 nan 4.420 nan 0.000 0.268 304 P C -0.344 176.794 177.300 -0.270 0.000 1.205 304 P CA 0.289 63.185 63.100 -0.340 0.000 0.771 304 P CB 0.007 31.319 31.700 -0.647 0.000 0.858 305 T N 5.039 119.439 114.554 -0.256 0.000 2.851 305 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 305 T C -2.129 172.444 174.700 -0.211 0.000 0.977 305 T CA -1.032 60.947 62.100 -0.201 0.000 1.126 305 T CB -0.192 68.556 68.868 -0.200 0.000 0.916 305 T HN 0.278 nan 8.240 nan 0.000 0.529 306 P HA 0.203 nan 4.420 nan 0.000 0.269 306 P C -0.501 176.725 177.300 -0.122 0.000 1.215 306 P CA -0.472 62.551 63.100 -0.128 0.000 0.780 306 P CB 0.282 31.928 31.700 -0.091 0.000 0.898 307 A N 2.483 125.244 122.820 -0.098 0.000 2.583 307 A HA 0.042 4.362 4.320 -0.000 0.000 0.249 307 A C 0.176 177.707 177.584 -0.089 0.000 1.035 307 A CA 0.281 52.266 52.037 -0.086 0.000 0.777 307 A CB -0.824 18.139 19.000 -0.062 0.000 0.942 307 A HN 0.374 nan 8.150 nan 0.000 0.516 308 V N 5.480 125.334 119.914 -0.100 0.000 2.406 308 V HA 0.157 4.277 4.120 -0.000 0.000 0.272 308 V C 1.662 177.721 176.094 -0.060 0.000 1.043 308 V CA -0.050 62.198 62.300 -0.087 0.000 0.915 308 V CB 0.879 32.633 31.823 -0.116 0.000 0.988 308 V HN 1.110 nan 8.190 nan 0.000 0.466 309 R N 4.581 125.054 120.500 -0.044 0.000 2.081 309 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 309 R C 1.290 177.582 176.300 -0.013 0.000 1.131 309 R CA 1.535 57.614 56.100 -0.036 0.000 0.960 309 R CB -0.049 30.231 30.300 -0.032 0.000 0.856 309 R HN 0.786 nan 8.270 nan 0.000 0.436 310 A N 1.076 123.914 122.820 0.029 0.000 3.063 310 A HA 0.293 4.613 4.320 -0.000 0.000 0.263 310 A C -0.830 176.856 177.584 0.169 0.000 1.736 310 A CA -0.083 52.026 52.037 0.120 0.000 1.408 310 A CB 0.081 19.175 19.000 0.157 0.000 1.108 310 A HN 0.236 nan 8.150 nan 0.000 0.621 311 S N 0.583 116.354 115.700 0.117 0.000 2.548 311 S HA 0.490 4.960 4.470 -0.000 0.000 0.286 311 S C -0.872 173.819 174.600 0.151 0.000 1.098 311 S CA -0.582 57.700 58.200 0.137 0.000 0.930 311 S CB 1.145 64.340 63.200 -0.009 0.000 1.070 311 S HN 0.693 nan 8.310 nan 0.000 0.480 312 W N 4.151 125.493 121.300 0.070 0.000 2.358 312 W HA 0.517 5.177 4.660 -0.000 0.000 0.307 312 W C -1.718 174.671 176.519 -0.218 0.000 1.203 312 W CA -0.440 56.881 57.345 -0.039 0.000 1.279 312 W CB 0.500 30.038 29.460 0.130 0.000 1.264 312 W HN 0.328 nan 8.180 nan 0.000 0.474 313 V N 7.623 127.111 119.914 -0.710 0.000 2.417 313 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 313 V C -0.077 175.602 176.094 -0.692 0.000 1.024 313 V CA -0.404 61.426 62.300 -0.783 0.000 0.861 313 V CB 1.227 32.109 31.823 -1.568 0.000 0.985 313 V HN 0.664 nan 8.190 nan 0.000 0.436 314 H N 2.516 121.511 119.070 -0.124 0.000 2.981 314 H HA 0.906 5.462 4.556 -0.000 0.000 0.327 314 H C -1.299 174.281 175.328 0.419 0.000 1.342 314 H CA -1.279 54.817 56.048 0.080 0.000 1.123 314 H CB 2.264 32.094 29.762 0.114 0.000 1.851 314 H HN 0.438 nan 8.280 nan 0.000 0.531 315 K N 1.266 121.778 120.400 0.187 0.000 2.570 315 K HA 0.247 4.567 4.320 -0.000 0.000 0.256 315 K C -1.319 175.381 176.600 0.165 0.000 0.939 315 K CA -0.088 56.252 56.287 0.089 0.000 0.833 315 K CB 2.049 34.580 32.500 0.051 0.000 1.318 315 K HN 0.914 nan 8.250 nan 0.000 0.433 316 T N 0.034 114.710 114.554 0.202 0.000 2.913 316 T HA 0.835 5.185 4.350 -0.000 0.000 0.287 316 T C 0.383 175.182 174.700 0.164 0.000 1.008 316 T CA -0.375 61.881 62.100 0.260 0.000 1.067 316 T CB 1.525 70.459 68.868 0.108 0.000 0.996 316 T HN 0.627 nan 8.240 nan 0.000 0.513 317 G N -0.483 108.418 108.800 0.167 0.000 2.718 317 G HA2 0.753 4.713 3.960 -0.000 0.000 0.295 317 G HA3 0.753 4.713 3.960 -0.000 0.000 0.295 317 G C -1.518 173.466 174.900 0.140 0.000 1.421 317 G CA -0.609 44.584 45.100 0.155 0.000 0.902 317 G HN 1.133 nan 8.290 nan 0.000 0.501 318 A N 0.221 123.120 122.820 0.132 0.000 2.587 318 A HA 0.985 5.305 4.320 -0.000 0.000 0.293 318 A C 0.013 177.675 177.584 0.131 0.000 1.087 318 A CA 0.102 52.221 52.037 0.137 0.000 0.692 318 A CB 1.707 20.756 19.000 0.081 0.000 1.291 318 A HN 1.882 nan 8.150 nan 0.000 0.407 319 T N -2.373 112.294 114.554 0.189 0.000 2.773 319 T HA 0.624 4.974 4.350 -0.000 0.000 0.278 319 T C 1.302 176.102 174.700 0.166 0.000 1.011 319 T CA 0.201 62.391 62.100 0.150 0.000 1.014 319 T CB 0.968 69.967 68.868 0.218 0.000 1.293 319 T HN 1.558 nan 8.240 nan 0.000 0.554 320 G N -0.360 108.523 108.800 0.140 0.000 2.442 320 G HA2 0.136 4.096 3.960 -0.000 0.000 0.219 320 G HA3 0.136 4.096 3.960 -0.000 0.000 0.219 320 G C 1.204 176.196 174.900 0.153 0.000 1.141 320 G CA 0.659 45.831 45.100 0.120 0.000 0.763 320 G HN 1.146 nan 8.290 nan 0.000 0.554 321 G N -1.381 107.562 108.800 0.239 0.000 3.159 321 G HA2 0.463 4.423 3.960 -0.000 0.000 0.232 321 G HA3 0.463 4.423 3.960 -0.000 0.000 0.232 321 G C -0.317 174.606 174.900 0.038 0.000 1.116 321 G CA -0.423 44.754 45.100 0.130 0.000 0.767 321 G HN 0.204 nan 8.290 nan 0.000 0.547 322 F N -0.600 119.477 119.950 0.211 0.000 2.599 322 F HA 0.697 5.224 4.527 0.000 0.000 0.311 322 F C 0.278 176.208 175.800 0.217 0.000 1.076 322 F CA -1.106 57.055 58.000 0.268 0.000 0.937 322 F CB 2.441 41.623 39.000 0.303 0.000 1.282 322 F HN 0.011 nan 8.300 nan 0.000 0.460 323 G N 0.797 109.860 108.800 0.438 0.000 2.707 323 G HA2 0.586 4.546 3.960 -0.000 0.000 0.299 323 G HA3 0.586 4.546 3.960 -0.000 0.000 0.299 323 G C -1.625 173.437 174.900 0.269 0.000 1.442 323 G CA -0.580 44.665 45.100 0.242 0.000 1.009 323 G HN 0.565 nan 8.290 nan 0.000 0.515 324 S N 0.045 115.876 115.700 0.217 0.000 2.599 324 S HA 0.823 5.293 4.470 -0.000 0.000 0.294 324 S C -1.736 173.046 174.600 0.304 0.000 1.094 324 S CA -0.593 57.755 58.200 0.247 0.000 0.931 324 S CB 2.005 65.344 63.200 0.232 0.000 1.093 324 S HN 0.689 nan 8.310 nan 0.000 0.488 325 Y N 0.906 121.305 120.300 0.165 0.000 2.480 325 Y HA 0.524 5.074 4.550 0.000 0.000 0.329 325 Y C -1.641 174.404 175.900 0.242 0.000 1.127 325 Y CA -0.966 57.247 58.100 0.188 0.000 1.037 325 Y CB 1.000 39.570 38.460 0.184 0.000 1.320 325 Y HN 0.566 nan 8.280 nan 0.000 0.446 326 V N 1.870 121.613 119.914 -0.285 0.000 2.709 326 V HA 1.072 5.192 4.120 -0.000 0.000 0.308 326 V C -0.815 175.019 176.094 -0.432 0.000 1.062 326 V CA -0.441 61.777 62.300 -0.136 0.000 0.901 326 V CB 1.057 33.051 31.823 0.284 0.000 1.003 326 V HN 1.295 nan 8.190 nan 0.000 0.425 327 A N 4.278 126.900 122.820 -0.330 0.000 2.549 327 A HA 1.056 5.376 4.320 -0.000 0.000 0.297 327 A C -1.140 176.191 177.584 -0.422 0.000 1.061 327 A CA -0.599 51.108 52.037 -0.550 0.000 0.690 327 A CB 1.946 20.492 19.000 -0.756 0.000 1.287 327 A HN 2.091 nan 8.150 nan 0.000 0.402 328 F N -0.947 118.571 119.950 -0.720 0.000 2.713 328 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 328 F C -1.469 173.990 175.800 -0.569 0.000 1.141 328 F CA -1.243 56.411 58.000 -0.577 0.000 0.939 328 F CB 1.266 39.985 39.000 -0.469 0.000 1.325 328 F HN 0.315 nan 8.300 nan 0.000 0.453 329 I N 2.188 122.600 120.570 -0.264 0.000 2.521 329 I HA 0.318 4.488 4.170 -0.000 0.000 0.277 329 I C -2.218 173.804 176.117 -0.158 0.000 1.054 329 I CA -1.794 59.321 61.300 -0.309 0.000 1.117 329 I CB 1.913 39.595 38.000 -0.530 0.000 1.217 329 I HN 0.366 nan 8.210 nan 0.000 0.469 330 P HA -0.204 nan 4.420 nan 0.000 0.215 330 P C 1.475 178.717 177.300 -0.097 0.000 1.153 330 P CA 1.168 64.235 63.100 -0.056 0.000 0.853 330 P CB 0.386 32.066 31.700 -0.034 0.000 0.788 331 E N -0.082 120.060 120.200 -0.097 0.000 2.160 331 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 331 E C 1.377 177.911 176.600 -0.109 0.000 0.991 331 E CA 1.417 57.769 56.400 -0.080 0.000 0.810 331 E CB -0.298 29.379 29.700 -0.038 0.000 0.742 331 E HN -0.027 nan 8.360 nan 0.000 0.466 332 K N 0.301 120.602 120.400 -0.166 0.000 2.374 332 K HA 0.048 4.368 4.320 -0.000 0.000 0.196 332 K C -0.179 176.315 176.600 -0.176 0.000 1.023 332 K CA 0.314 56.495 56.287 -0.177 0.000 1.103 332 K CB 0.588 32.936 32.500 -0.254 0.000 0.848 332 K HN 0.106 nan 8.250 nan 0.000 0.528 333 E N 0.500 120.604 120.200 -0.161 0.000 2.360 333 E HA -0.239 4.111 4.350 -0.000 0.000 0.238 333 E C -0.549 175.959 176.600 -0.154 0.000 1.186 333 E CA 0.459 56.763 56.400 -0.161 0.000 0.719 333 E CB -1.804 27.797 29.700 -0.166 0.000 1.236 333 E HN 0.077 nan 8.360 nan 0.000 0.386 334 L N -0.503 120.637 121.223 -0.139 0.000 2.386 334 L HA 0.804 5.144 4.340 -0.000 0.000 0.271 334 L C 0.332 177.151 176.870 -0.086 0.000 0.993 334 L CA 0.302 55.086 54.840 -0.094 0.000 0.819 334 L CB 2.048 44.033 42.059 -0.124 0.000 1.294 334 L HN 0.132 nan 8.230 nan 0.000 0.414 335 G N 3.956 112.733 108.800 -0.039 0.000 2.608 335 G HA2 0.625 4.585 3.960 -0.000 0.000 0.291 335 G HA3 0.625 4.585 3.960 -0.000 0.000 0.291 335 G C -2.174 172.736 174.900 0.016 0.000 1.425 335 G CA -0.449 44.630 45.100 -0.035 0.000 0.787 335 G HN 0.755 nan 8.290 nan 0.000 0.484 336 I N -0.402 120.184 120.570 0.027 0.000 2.827 336 I HA 0.651 4.821 4.170 -0.000 0.000 0.298 336 I C -1.317 174.870 176.117 0.117 0.000 1.235 336 I CA -0.998 60.360 61.300 0.097 0.000 1.021 336 I CB 2.365 40.448 38.000 0.138 0.000 1.259 336 I HN 0.385 nan 8.210 nan 0.000 0.427 337 V N 7.037 127.052 119.914 0.167 0.000 2.588 337 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 337 V C -0.501 175.726 176.094 0.221 0.000 1.042 337 V CA -0.459 61.958 62.300 0.195 0.000 0.877 337 V CB 1.793 33.741 31.823 0.209 0.000 0.996 337 V HN 0.636 nan 8.190 nan 0.000 0.425 338 M N 6.005 125.746 119.600 0.236 0.000 2.142 338 M HA 0.595 5.075 4.480 -0.000 0.000 0.299 338 M C -1.313 175.086 176.300 0.165 0.000 0.960 338 M CA -0.130 55.309 55.300 0.231 0.000 0.920 338 M CB 1.814 34.600 32.600 0.310 0.000 1.541 338 M HN 0.402 nan 8.290 nan 0.000 0.429 339 L N 2.996 124.219 121.223 0.001 0.000 2.325 339 L HA 0.964 5.304 4.340 -0.000 0.000 0.281 339 L C -0.380 176.353 176.870 -0.227 0.000 1.004 339 L CA -0.688 54.003 54.840 -0.249 0.000 0.823 339 L CB 1.697 43.245 42.059 -0.852 0.000 1.236 339 L HN 0.785 nan 8.230 nan 0.000 0.415 340 A N 2.097 125.030 122.820 0.189 0.000 2.435 340 A HA 0.593 4.913 4.320 -0.000 0.000 0.304 340 A C -0.372 177.564 177.584 0.587 0.000 1.064 340 A CA -0.742 51.533 52.037 0.398 0.000 0.727 340 A CB 1.314 20.540 19.000 0.377 0.000 1.284 340 A HN 0.749 nan 8.150 nan 0.000 0.415 341 N N 1.144 120.114 118.700 0.449 0.000 2.575 341 N HA 0.172 4.912 4.740 -0.000 0.000 0.275 341 N C -0.466 175.041 175.510 -0.004 0.000 1.202 341 N CA -0.112 52.905 53.050 -0.054 0.000 0.945 341 N CB 0.266 38.684 38.487 -0.115 0.000 1.247 341 N HN 0.603 nan 8.380 nan 0.000 0.510 342 K N 0.113 120.604 120.400 0.152 0.000 2.523 342 K HA 0.243 4.563 4.320 -0.000 0.000 0.257 342 K C -1.546 175.233 176.600 0.299 0.000 0.932 342 K CA -0.726 55.671 56.287 0.184 0.000 0.812 342 K CB 1.347 33.950 32.500 0.171 0.000 1.326 342 K HN -0.028 nan 8.250 nan 0.000 0.433 343 N N 3.748 122.584 118.700 0.228 0.000 2.448 343 N HA 0.105 4.845 4.740 -0.000 0.000 0.250 343 N C -1.464 174.159 175.510 0.190 0.000 1.136 343 N CA -0.035 53.128 53.050 0.188 0.000 0.953 343 N CB -0.139 38.428 38.487 0.134 0.000 1.251 343 N HN 0.465 nan 8.380 nan 0.000 0.502 344 Y N 1.550 121.891 120.300 0.069 0.000 2.528 344 Y HA 0.785 5.335 4.550 0.000 0.000 0.335 344 Y C -2.590 173.328 175.900 0.030 0.000 1.093 344 Y CA -3.055 55.069 58.100 0.041 0.000 1.134 344 Y CB 0.223 38.702 38.460 0.031 0.000 1.253 344 Y HN 0.285 nan 8.280 nan 0.000 0.478 345 P HA 0.084 nan 4.420 nan 0.000 0.268 345 P C 0.024 177.215 177.300 -0.182 0.000 1.205 345 P CA 0.043 63.101 63.100 -0.070 0.000 0.771 345 P CB 0.784 32.489 31.700 0.008 0.000 0.858 346 N N 3.983 122.578 118.700 -0.175 0.000 2.061 346 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 346 N C -0.917 174.494 175.510 -0.164 0.000 1.030 346 N CA 1.989 54.922 53.050 -0.195 0.000 0.856 346 N CB -1.954 36.447 38.487 -0.143 0.000 1.023 346 N HN 0.456 nan 8.380 nan 0.000 0.424 347 P HA -0.026 nan 4.420 nan 0.000 0.218 347 P C 1.068 178.346 177.300 -0.037 0.000 1.149 347 P CA 1.362 64.421 63.100 -0.068 0.000 0.817 347 P CB -0.059 31.615 31.700 -0.044 0.000 0.785 348 A N 0.015 122.837 122.820 0.003 0.000 1.930 348 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 348 A C 2.192 179.844 177.584 0.114 0.000 1.175 348 A CA 1.318 53.408 52.037 0.089 0.000 0.627 348 A CB -0.900 18.222 19.000 0.202 0.000 0.815 348 A HN 0.105 nan 8.150 nan 0.000 0.443 349 R N -0.631 119.877 120.500 0.014 0.000 2.062 349 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 349 R C 1.999 178.218 176.300 -0.135 0.000 1.136 349 R CA 1.544 57.625 56.100 -0.032 0.000 0.948 349 R CB -0.714 29.424 30.300 -0.271 0.000 0.845 349 R HN 0.367 nan 8.270 nan 0.000 0.430 350 V N 1.673 121.417 119.914 -0.283 0.000 2.427 350 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 350 V C 2.046 178.211 176.094 0.118 0.000 1.051 350 V CA 1.904 64.094 62.300 -0.184 0.000 1.048 350 V CB -0.520 31.221 31.823 -0.137 0.000 0.666 350 V HN 0.293 nan 8.190 nan 0.000 0.456 351 D N 0.560 121.009 120.400 0.083 0.000 2.097 351 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 351 D C 2.182 178.620 176.300 0.230 0.000 0.989 351 D CA 1.767 55.862 54.000 0.158 0.000 0.827 351 D CB -0.054 40.801 40.800 0.091 0.000 0.966 351 D HN 0.364 nan 8.370 nan 0.000 0.456 352 A N 0.764 123.690 122.820 0.176 0.000 1.877 352 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 352 A C 2.425 180.151 177.584 0.236 0.000 1.186 352 A CA 2.545 54.683 52.037 0.167 0.000 0.620 352 A CB -0.987 18.092 19.000 0.131 0.000 0.822 352 A HN 0.311 nan 8.150 nan 0.000 0.443 353 A N -0.978 122.049 122.820 0.344 0.000 1.902 353 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 353 A C 2.126 180.041 177.584 0.553 0.000 1.181 353 A CA 1.502 53.828 52.037 0.482 0.000 0.623 353 A CB -0.954 18.511 19.000 0.775 0.000 0.818 353 A HN 0.929 nan 8.150 nan 0.000 0.443 354 W N 0.803 122.350 121.300 0.411 0.000 2.358 354 W HA -0.195 4.465 4.660 -0.000 0.000 0.303 354 W C 1.865 178.525 176.519 0.236 0.000 1.208 354 W CA 1.860 59.403 57.345 0.329 0.000 1.274 354 W CB -0.506 28.982 29.460 0.046 0.000 1.138 354 W HN 0.516 nan 8.180 nan 0.000 0.515 355 Q N 0.535 120.351 119.800 0.027 0.000 2.096 355 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 355 Q C 2.315 178.239 176.000 -0.126 0.000 0.982 355 Q CA 2.308 58.038 55.803 -0.122 0.000 0.850 355 Q CB -0.385 28.376 28.738 0.039 0.000 0.901 355 Q HN 0.400 nan 8.270 nan 0.000 0.422 356 I N 0.383 120.948 120.570 -0.007 0.000 2.163 356 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 356 I C 2.196 178.299 176.117 -0.023 0.000 1.081 356 I CA 1.050 62.347 61.300 -0.004 0.000 1.353 356 I CB -0.214 37.815 38.000 0.049 0.000 1.054 356 I HN 0.176 nan 8.210 nan 0.000 0.407 357 L N 0.294 121.536 121.223 0.033 0.000 2.141 357 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 357 L C 2.232 179.051 176.870 -0.085 0.000 1.094 357 L CA 1.279 56.132 54.840 0.022 0.000 0.763 357 L CB -0.763 41.376 42.059 0.133 0.000 0.908 357 L HN 0.334 nan 8.230 nan 0.000 0.437 358 N N 0.516 119.029 118.700 -0.313 0.000 2.244 358 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 358 N C 1.768 177.168 175.510 -0.184 0.000 1.016 358 N CA 1.257 54.060 53.050 -0.412 0.000 0.866 358 N CB 0.041 37.806 38.487 -1.202 0.000 0.980 358 N HN 0.259 nan 8.380 nan 0.000 0.430 359 A N -0.136 122.586 122.820 -0.163 0.000 2.015 359 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 359 A C 1.988 179.550 177.584 -0.036 0.000 1.163 359 A CA 0.901 52.888 52.037 -0.083 0.000 0.646 359 A CB -0.372 18.580 19.000 -0.080 0.000 0.806 359 A HN 0.362 nan 8.150 nan 0.000 0.448 360 L N -0.673 120.540 121.223 -0.016 0.000 2.556 360 L HA 0.066 4.406 4.340 -0.000 0.000 0.226 360 L C 1.292 178.233 176.870 0.118 0.000 1.089 360 L CA -0.120 54.751 54.840 0.051 0.000 0.864 360 L CB -0.318 41.785 42.059 0.073 0.000 1.067 360 L HN 0.555 nan 8.230 nan 0.000 0.477 361 Q N 0.000 119.834 119.800 0.057 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.832 55.803 0.048 0.000 1.022 361 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481