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 1gqt_1_B DATA FIRST_RESID 2 DATA SEQUENCE QNAGSLVVLG SINADHILNL QSFPTPGETV TGNHYQVAFG GKGANQAVAA DATA SEQUENCE GRSGANIAFI ACTGDDSIGE SVRQQLATDN IDITPVSVIK GESTGVALIF DATA SEQUENCE VNGEGENVIG IHAGANAALS PALVEAQRER IANASALLMQ LESPLESVMA DATA SEQUENCE AAKIAHQNKT IVALNPAPAR ELPDELLALV DIITPNETEA EKLTGIRVEN DATA SEQUENCE DEDAAKAAQV LHEKGIRTVL ITLGSRGVWA SVNGEGQRVP GFRVQAVDTI DATA SEQUENCE AAGDTFNGAL ITALLEEKPL PEAIRFAHAA AAIAVTRKGA QPSVPWREEI DATA SEQUENCE DAFLDRQ 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.993 176.000 -0.012 0.000 1.003 2 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 2 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 3 N N 2.005 120.700 118.700 -0.009 0.000 2.219 3 N HA 0.157 4.897 4.740 -0.000 0.000 0.263 3 N C 0.369 175.868 175.510 -0.017 0.000 1.269 3 N CA 0.572 53.616 53.050 -0.011 0.000 0.831 3 N CB 0.612 39.095 38.487 -0.006 0.000 1.059 3 N HN 0.428 nan 8.380 nan 0.000 0.475 4 A N 2.411 125.216 122.820 -0.024 0.000 2.455 4 A HA 0.288 4.608 4.320 -0.000 0.000 0.244 4 A C 1.038 178.607 177.584 -0.025 0.000 1.099 4 A CA 0.052 52.070 52.037 -0.032 0.000 0.786 4 A CB -0.135 18.837 19.000 -0.046 0.000 1.051 4 A HN 0.668 nan 8.150 nan 0.000 0.508 5 G N 0.085 108.869 108.800 -0.027 0.000 2.559 5 G HA2 0.404 4.364 3.960 -0.000 0.000 0.235 5 G HA3 0.404 4.364 3.960 -0.000 0.000 0.235 5 G C 0.542 175.430 174.900 -0.020 0.000 1.266 5 G CA 0.438 45.525 45.100 -0.022 0.000 0.847 5 G HN 1.621 nan 8.290 nan 0.000 0.583 6 S N 0.511 116.203 115.700 -0.013 0.000 2.565 6 S HA 0.415 4.885 4.470 -0.000 0.000 0.276 6 S C -0.256 174.339 174.600 -0.009 0.000 1.326 6 S CA -0.714 57.480 58.200 -0.009 0.000 1.045 6 S CB 1.466 64.664 63.200 -0.003 0.000 0.918 6 S HN 0.823 nan 8.310 nan 0.000 0.505 7 L N 3.901 125.119 121.223 -0.008 0.000 2.329 7 L HA 0.746 5.086 4.340 -0.000 0.000 0.279 7 L C -1.077 175.797 176.870 0.008 0.000 1.014 7 L CA -0.566 54.269 54.840 -0.008 0.000 0.814 7 L CB 1.734 43.780 42.059 -0.021 0.000 1.257 7 L HN 0.643 nan 8.230 nan 0.000 0.424 8 V N 5.621 125.545 119.914 0.017 0.000 2.448 8 V HA 0.549 4.668 4.120 -0.000 0.000 0.295 8 V C -0.535 175.593 176.094 0.057 0.000 1.025 8 V CA -0.658 61.667 62.300 0.041 0.000 0.859 8 V CB 1.946 33.791 31.823 0.037 0.000 0.988 8 V HN 0.560 nan 8.190 nan 0.000 0.431 9 V N 6.355 126.333 119.914 0.107 0.000 2.417 9 V HA 0.526 4.646 4.120 -0.000 0.000 0.291 9 V C -0.341 175.924 176.094 0.285 0.000 1.024 9 V CA -0.524 61.867 62.300 0.151 0.000 0.861 9 V CB 1.700 33.566 31.823 0.072 0.000 0.985 9 V HN 0.710 nan 8.190 nan 0.000 0.436 10 L N 4.864 126.201 121.223 0.190 0.000 2.356 10 L HA 0.992 5.332 4.340 -0.000 0.000 0.277 10 L C 0.194 177.157 176.870 0.154 0.000 0.996 10 L CA 0.392 55.312 54.840 0.133 0.000 0.822 10 L CB 1.495 43.584 42.059 0.050 0.000 1.256 10 L HN 0.856 nan 8.230 nan 0.000 0.413 11 G N 1.902 110.788 108.800 0.143 0.000 2.360 11 G HA2 0.230 4.190 3.960 -0.000 0.000 0.276 11 G HA3 0.230 4.190 3.960 -0.000 0.000 0.276 11 G C -1.425 173.533 174.900 0.098 0.000 1.256 11 G CA -0.019 45.157 45.100 0.127 0.000 0.890 11 G HN 0.776 nan 8.290 nan 0.000 0.486 12 S N -1.080 114.697 115.700 0.128 0.000 2.693 12 S HA 0.843 5.313 4.470 -0.000 0.000 0.276 12 S C -0.332 174.357 174.600 0.149 0.000 1.192 12 S CA -0.583 57.664 58.200 0.077 0.000 0.994 12 S CB 1.571 64.803 63.200 0.054 0.000 1.012 12 S HN 0.777 nan 8.310 nan 0.000 0.550 13 I N 1.641 122.261 120.570 0.083 0.000 2.569 13 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 13 I C -1.110 175.056 176.117 0.082 0.000 1.088 13 I CA -0.677 60.685 61.300 0.103 0.000 1.047 13 I CB 2.120 40.158 38.000 0.063 0.000 1.237 13 I HN 0.609 nan 8.210 nan 0.000 0.421 14 N N 3.418 122.185 118.700 0.111 0.000 2.357 14 N HA 0.682 5.422 4.740 -0.000 0.000 0.284 14 N C -1.001 174.619 175.510 0.183 0.000 1.236 14 N CA -0.663 52.463 53.050 0.126 0.000 0.774 14 N CB 2.416 40.968 38.487 0.108 0.000 1.534 14 N HN 0.599 nan 8.380 nan 0.000 0.478 15 A N 0.519 123.449 122.820 0.185 0.000 2.274 15 A HA 0.419 4.739 4.320 -0.000 0.000 0.309 15 A C -0.760 176.882 177.584 0.096 0.000 1.226 15 A CA -0.399 51.724 52.037 0.144 0.000 0.853 15 A CB 0.070 19.152 19.000 0.136 0.000 1.146 15 A HN 0.460 nan 8.150 nan 0.000 0.518 16 D N 1.626 122.021 120.400 -0.009 0.000 2.198 16 D HA 0.314 4.953 4.640 -0.000 0.000 0.245 16 D C -0.419 175.797 176.300 -0.140 0.000 1.079 16 D CA 0.438 54.440 54.000 0.004 0.000 0.854 16 D CB 0.588 41.386 40.800 -0.004 0.000 1.148 16 D HN 0.529 nan 8.370 nan 0.000 0.456 17 H N 2.797 121.885 119.070 0.031 0.000 2.595 17 H HA 0.408 4.964 4.556 -0.000 0.000 0.313 17 H C -0.223 175.180 175.328 0.126 0.000 1.023 17 H CA -0.406 55.684 56.048 0.070 0.000 1.218 17 H CB 1.157 31.036 29.762 0.195 0.000 1.403 17 H HN 0.229 nan 8.280 nan 0.000 0.477 18 I N 4.532 125.183 120.570 0.135 0.000 2.418 18 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 18 I C -0.758 175.560 176.117 0.335 0.000 1.008 18 I CA -0.765 60.653 61.300 0.196 0.000 1.104 18 I CB 2.083 40.139 38.000 0.094 0.000 1.264 18 I HN 0.216 nan 8.210 nan 0.000 0.438 19 L N 7.027 128.501 121.223 0.420 0.000 2.342 19 L HA 0.494 4.834 4.340 -0.000 0.000 0.276 19 L C -0.756 176.304 176.870 0.317 0.000 0.997 19 L CA -0.188 54.905 54.840 0.422 0.000 0.838 19 L CB 0.980 43.304 42.059 0.442 0.000 1.224 19 L HN 0.457 nan 8.230 nan 0.000 0.416 20 N N 4.901 123.753 118.700 0.254 0.000 2.514 20 N HA 0.661 5.401 4.740 -0.000 0.000 0.277 20 N C -0.893 174.678 175.510 0.100 0.000 1.126 20 N CA -0.186 52.965 53.050 0.168 0.000 0.978 20 N CB 0.927 39.499 38.487 0.142 0.000 1.106 20 N HN 0.533 nan 8.380 nan 0.000 0.461 21 L N -0.784 120.460 121.223 0.036 0.000 2.503 21 L HA 0.571 4.911 4.340 -0.000 0.000 0.248 21 L C 0.636 177.457 176.870 -0.082 0.000 1.126 21 L CA -0.918 53.902 54.840 -0.033 0.000 0.929 21 L CB 0.819 42.824 42.059 -0.091 0.000 1.544 21 L HN 0.175 nan 8.230 nan 0.000 0.404 22 Q N 0.218 119.959 119.800 -0.099 0.000 2.036 22 Q HA 0.340 4.680 4.340 -0.000 0.000 0.195 22 Q C -0.077 175.810 176.000 -0.188 0.000 0.971 22 Q CA 1.512 57.246 55.803 -0.115 0.000 0.826 22 Q CB 0.270 28.959 28.738 -0.082 0.000 0.896 22 Q HN 0.779 nan 8.270 nan 0.000 0.449 23 S N -0.120 115.469 115.700 -0.185 0.000 2.521 23 S HA 0.461 4.931 4.470 -0.000 0.000 0.295 23 S C -1.109 173.391 174.600 -0.167 0.000 1.098 23 S CA -0.771 57.293 58.200 -0.225 0.000 0.999 23 S CB 0.701 63.833 63.200 -0.113 0.000 1.034 23 S HN 0.185 nan 8.310 nan 0.000 0.483 24 F N 3.054 122.987 119.950 -0.029 0.000 2.629 24 F HA 0.172 4.699 4.527 -0.000 0.000 0.377 24 F C -1.785 173.978 175.800 -0.061 0.000 1.101 24 F CA -1.597 56.386 58.000 -0.029 0.000 1.301 24 F CB -0.775 38.267 39.000 0.069 0.000 1.062 24 F HN 0.276 nan 8.300 nan 0.000 0.583 25 P HA 0.010 nan 4.420 nan 0.000 0.265 25 P C 0.018 177.375 177.300 0.095 0.000 1.193 25 P CA 0.092 63.207 63.100 0.026 0.000 0.765 25 P CB 0.456 32.143 31.700 -0.023 0.000 0.823 26 T N 3.826 118.415 114.554 0.059 0.000 2.918 26 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 26 T C -2.296 172.431 174.700 0.046 0.000 1.001 26 T CA -1.920 60.215 62.100 0.058 0.000 1.041 26 T CB 0.115 69.008 68.868 0.041 0.000 1.028 26 T HN 0.196 nan 8.240 nan 0.000 0.511 27 P HA 0.135 nan 4.420 nan 0.000 0.265 27 P C 0.892 178.207 177.300 0.026 0.000 1.187 27 P CA 0.775 63.896 63.100 0.034 0.000 0.766 27 P CB 0.144 31.860 31.700 0.027 0.000 0.820 28 G N 1.011 109.826 108.800 0.024 0.000 2.216 28 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.269 28 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.269 28 G C 0.290 175.198 174.900 0.014 0.000 0.981 28 G CA 0.596 45.706 45.100 0.017 0.000 0.658 28 G HN 0.659 nan 8.290 nan 0.000 0.539 29 E N -0.023 120.187 120.200 0.016 0.000 2.318 29 E HA 0.594 4.944 4.350 -0.000 0.000 0.265 29 E C -0.461 176.138 176.600 -0.002 0.000 1.069 29 E CA -0.222 56.182 56.400 0.006 0.000 0.893 29 E CB 0.736 30.439 29.700 0.005 0.000 1.076 29 E HN 0.056 nan 8.360 nan 0.000 0.414 30 T N 2.715 117.260 114.554 -0.016 0.000 2.847 30 T HA 0.379 4.729 4.350 -0.000 0.000 0.291 30 T C -1.050 173.620 174.700 -0.050 0.000 0.998 30 T CA -0.680 61.403 62.100 -0.029 0.000 0.967 30 T CB 0.924 69.780 68.868 -0.020 0.000 0.954 30 T HN 0.388 nan 8.240 nan 0.000 0.441 31 V N 1.412 121.275 119.914 -0.086 0.000 2.715 31 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 31 V C -0.044 175.988 176.094 -0.104 0.000 1.054 31 V CA -0.717 61.525 62.300 -0.098 0.000 0.928 31 V CB 1.859 33.607 31.823 -0.125 0.000 1.007 31 V HN 0.712 nan 8.190 nan 0.000 0.437 32 T N 3.695 118.204 114.554 -0.075 0.000 2.799 32 T HA 0.657 5.007 4.350 -0.000 0.000 0.286 32 T C 0.546 175.213 174.700 -0.055 0.000 0.973 32 T CA 0.454 62.517 62.100 -0.061 0.000 1.035 32 T CB 1.159 70.002 68.868 -0.041 0.000 0.932 32 T HN 1.280 nan 8.240 nan 0.000 0.469 33 G N 1.552 110.328 108.800 -0.040 0.000 2.535 33 G HA2 0.349 4.309 3.960 -0.000 0.000 0.303 33 G HA3 0.349 4.309 3.960 -0.000 0.000 0.303 33 G C 0.627 175.544 174.900 0.029 0.000 1.237 33 G CA -0.841 44.257 45.100 -0.003 0.000 0.986 33 G HN 0.791 nan 8.290 nan 0.000 0.494 34 N N -2.812 115.928 118.700 0.067 0.000 2.227 34 N HA 0.087 4.826 4.740 -0.000 0.000 0.196 34 N C 0.248 175.858 175.510 0.167 0.000 1.142 34 N CA -0.012 53.090 53.050 0.086 0.000 0.887 34 N CB 0.441 38.969 38.487 0.069 0.000 1.022 34 N HN 0.473 nan 8.380 nan 0.000 0.500 35 H N -1.198 117.918 119.070 0.077 0.000 3.038 35 H HA 0.249 4.805 4.556 -0.000 0.000 0.362 35 H C -2.075 173.369 175.328 0.194 0.000 1.167 35 H CA -0.693 55.419 56.048 0.106 0.000 1.197 35 H CB 1.918 31.721 29.762 0.069 0.000 1.840 35 H HN 0.056 nan 8.280 nan 0.000 0.540 36 Y N 3.052 123.170 120.300 -0.304 0.000 2.477 36 Y HA 0.395 4.945 4.550 -0.000 0.000 0.347 36 Y C -1.322 174.488 175.900 -0.150 0.000 0.981 36 Y CA -0.532 57.505 58.100 -0.105 0.000 1.033 36 Y CB 1.885 40.305 38.460 -0.066 0.000 1.245 36 Y HN 0.718 nan 8.280 nan 0.000 0.455 37 Q N 4.299 123.707 119.800 -0.653 0.000 2.295 37 Q HA 0.645 4.985 4.340 -0.000 0.000 0.268 37 Q C -2.323 173.280 176.000 -0.662 0.000 1.010 37 Q CA -0.794 54.696 55.803 -0.521 0.000 0.856 37 Q CB 2.156 30.828 28.738 -0.110 0.000 1.349 37 Q HN 0.597 nan 8.270 nan 0.000 0.412 38 V N 2.346 121.910 119.914 -0.583 0.000 2.394 38 V HA 0.946 5.066 4.120 -0.000 0.000 0.282 38 V C -0.257 175.600 176.094 -0.395 0.000 1.031 38 V CA -0.025 61.959 62.300 -0.527 0.000 0.881 38 V CB 0.784 32.297 31.823 -0.517 0.000 0.982 38 V HN 0.847 nan 8.190 nan 0.000 0.451 39 A N 3.972 126.583 122.820 -0.349 0.000 2.593 39 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 39 A C -1.285 176.165 177.584 -0.223 0.000 1.126 39 A CA -0.560 51.288 52.037 -0.315 0.000 0.695 39 A CB 1.199 20.100 19.000 -0.165 0.000 1.290 39 A HN 0.463 nan 8.150 nan 0.000 0.414 40 F N 0.552 120.475 119.950 -0.045 0.000 2.412 40 F HA 0.589 5.116 4.527 -0.000 0.000 0.348 40 F C 1.153 176.943 175.800 -0.017 0.000 1.102 40 F CA 0.670 58.657 58.000 -0.021 0.000 1.196 40 F CB 1.418 40.413 39.000 -0.008 0.000 1.144 40 F HN 0.870 nan 8.300 nan 0.000 0.541 41 G N -0.138 108.796 108.800 0.224 0.000 2.871 41 G HA2 0.597 4.556 3.960 -0.000 0.000 0.282 41 G HA3 0.597 4.556 3.960 -0.000 0.000 0.282 41 G C -0.525 174.437 174.900 0.104 0.000 1.212 41 G CA -0.283 44.888 45.100 0.119 0.000 0.812 41 G HN 1.155 nan 8.290 nan 0.000 0.547 42 G N -0.804 108.043 108.800 0.079 0.000 3.039 42 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 42 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 42 G C 0.423 175.360 174.900 0.061 0.000 1.066 42 G CA 0.447 45.593 45.100 0.077 0.000 0.774 42 G HN 0.712 nan 8.290 nan 0.000 0.591 43 K N 1.094 121.527 120.400 0.054 0.000 2.063 43 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 43 K C 2.803 179.424 176.600 0.035 0.000 1.048 43 K CA 1.978 58.288 56.287 0.038 0.000 0.928 43 K CB -0.199 32.324 32.500 0.038 0.000 0.713 43 K HN 0.721 nan 8.250 nan 0.000 0.442 44 G N 0.738 109.598 108.800 0.099 0.000 2.404 44 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 44 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 44 G C 1.588 176.433 174.900 -0.091 0.000 1.174 44 G CA 0.875 46.071 45.100 0.160 0.000 0.780 44 G HN 0.359 nan 8.290 nan 0.000 0.537 45 A N 1.388 124.226 122.820 0.031 0.000 1.877 45 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 45 A C 2.295 179.725 177.584 -0.258 0.000 1.186 45 A CA 1.931 53.834 52.037 -0.223 0.000 0.620 45 A CB -0.497 18.538 19.000 0.057 0.000 0.822 45 A HN 0.336 nan 8.150 nan 0.000 0.443 46 N N 0.134 118.764 118.700 -0.117 0.000 2.069 46 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 46 N C 1.894 177.311 175.510 -0.156 0.000 1.031 46 N CA 1.781 54.767 53.050 -0.107 0.000 0.852 46 N CB -0.536 37.925 38.487 -0.044 0.000 1.018 46 N HN 0.687 nan 8.380 nan 0.000 0.423 47 Q N 0.198 119.904 119.800 -0.156 0.000 2.119 47 Q HA 0.076 4.416 4.340 -0.000 0.000 0.201 47 Q C 2.084 177.939 176.000 -0.241 0.000 0.972 47 Q CA 1.269 56.980 55.803 -0.154 0.000 0.847 47 Q CB -0.128 28.555 28.738 -0.092 0.000 0.903 47 Q HN 0.392 nan 8.270 nan 0.000 0.433 48 A N 0.495 123.066 122.820 -0.416 0.000 1.933 48 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 48 A C 2.310 179.672 177.584 -0.369 0.000 1.175 48 A CA 1.269 52.993 52.037 -0.521 0.000 0.628 48 A CB -0.559 17.743 19.000 -1.163 0.000 0.814 48 A HN 0.205 nan 8.150 nan 0.000 0.444 49 V N -0.408 119.300 119.914 -0.343 0.000 2.453 49 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 49 V C 3.007 178.925 176.094 -0.293 0.000 1.048 49 V CA 1.660 63.782 62.300 -0.297 0.000 1.049 49 V CB -0.994 30.679 31.823 -0.250 0.000 0.672 49 V HN 0.601 nan 8.190 nan 0.000 0.457 50 A N 0.063 122.743 122.820 -0.234 0.000 1.933 50 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 50 A C 2.405 179.886 177.584 -0.171 0.000 1.175 50 A CA 1.992 53.908 52.037 -0.202 0.000 0.628 50 A CB -0.667 18.248 19.000 -0.142 0.000 0.814 50 A HN 0.541 nan 8.150 nan 0.000 0.444 51 A N -0.459 122.267 122.820 -0.156 0.000 1.873 51 A HA 0.166 4.486 4.320 -0.000 0.000 0.215 51 A C 2.418 179.935 177.584 -0.111 0.000 1.186 51 A CA 1.866 53.838 52.037 -0.109 0.000 0.616 51 A CB -1.385 17.551 19.000 -0.108 0.000 0.823 51 A HN 0.685 nan 8.150 nan 0.000 0.442 52 G N -0.617 108.086 108.800 -0.161 0.000 2.421 52 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 52 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 52 G C 1.769 176.562 174.900 -0.178 0.000 1.171 52 G CA 0.868 45.882 45.100 -0.145 0.000 0.775 52 G HN 0.533 nan 8.290 nan 0.000 0.543 53 R N 0.070 120.347 120.500 -0.372 0.000 2.115 53 R HA 0.005 4.344 4.340 -0.000 0.000 0.230 53 R C 2.719 178.934 176.300 -0.142 0.000 1.111 53 R CA 1.148 56.904 56.100 -0.574 0.000 0.976 53 R CB -0.249 29.378 30.300 -1.123 0.000 0.870 53 R HN 0.390 nan 8.270 nan 0.000 0.445 54 S N -1.073 114.574 115.700 -0.088 0.000 2.522 54 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 54 S C 1.186 175.868 174.600 0.137 0.000 0.986 54 S CA 0.986 59.230 58.200 0.073 0.000 0.929 54 S CB 0.281 63.547 63.200 0.110 0.000 0.769 54 S HN 0.605 nan 8.310 nan 0.000 0.529 55 G N -0.079 108.760 108.800 0.065 0.000 2.192 55 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.193 55 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.193 55 G C 0.220 175.130 174.900 0.016 0.000 0.999 55 G CA -0.019 45.117 45.100 0.061 0.000 0.659 55 G HN 0.922 nan 8.290 nan 0.000 0.503 56 A N 0.094 122.910 122.820 -0.007 0.000 2.429 56 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 56 A C 0.496 178.072 177.584 -0.014 0.000 1.088 56 A CA 0.220 52.243 52.037 -0.024 0.000 0.784 56 A CB 0.175 19.151 19.000 -0.039 0.000 1.038 56 A HN 0.389 nan 8.150 nan 0.000 0.501 57 N N 1.334 120.025 118.700 -0.015 0.000 2.558 57 N HA 0.293 5.033 4.740 -0.000 0.000 0.233 57 N C -1.050 174.455 175.510 -0.008 0.000 1.038 57 N CA 0.020 53.066 53.050 -0.006 0.000 0.934 57 N CB 1.249 39.733 38.487 -0.005 0.000 1.175 57 N HN 0.587 nan 8.380 nan 0.000 0.512 58 I N 1.032 121.598 120.570 -0.008 0.000 2.608 58 I HA 0.617 4.787 4.170 -0.000 0.000 0.295 58 I C -1.157 174.969 176.117 0.015 0.000 1.049 58 I CA -0.761 60.535 61.300 -0.008 0.000 1.063 58 I CB 1.985 39.962 38.000 -0.039 0.000 1.248 58 I HN 0.289 nan 8.210 nan 0.000 0.424 59 A N 6.687 129.531 122.820 0.040 0.000 2.374 59 A HA 0.737 5.057 4.320 -0.000 0.000 0.317 59 A C -1.739 175.941 177.584 0.159 0.000 1.094 59 A CA -0.462 51.622 52.037 0.079 0.000 0.765 59 A CB 1.346 20.378 19.000 0.053 0.000 1.268 59 A HN 0.550 nan 8.150 nan 0.000 0.438 60 F N 2.713 122.647 119.950 -0.026 0.000 2.427 60 F HA 0.594 5.121 4.527 -0.000 0.000 0.348 60 F C -0.738 175.046 175.800 -0.027 0.000 1.125 60 F CA -1.751 56.231 58.000 -0.030 0.000 0.989 60 F CB 0.938 39.914 39.000 -0.040 0.000 1.165 60 F HN 0.417 nan 8.300 nan 0.000 0.442 61 I N 6.248 126.798 120.570 -0.033 0.000 2.304 61 I HA 0.642 4.812 4.170 -0.000 0.000 0.291 61 I C -0.105 175.732 176.117 -0.467 0.000 1.018 61 I CA -0.167 61.007 61.300 -0.209 0.000 1.260 61 I CB 0.626 38.581 38.000 -0.075 0.000 1.390 61 I HN 0.752 nan 8.210 nan 0.000 0.475 62 A N 5.294 127.801 122.820 -0.521 0.000 2.566 62 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 62 A C -1.764 175.619 177.584 -0.335 0.000 1.071 62 A CA -0.502 51.197 52.037 -0.563 0.000 0.658 62 A CB 1.418 19.721 19.000 -1.162 0.000 1.285 62 A HN 0.611 nan 8.150 nan 0.000 0.427 63 C N 1.306 120.461 119.300 -0.241 0.000 2.431 63 C HA 0.854 5.314 4.460 -0.000 0.000 0.321 63 C C 0.662 175.584 174.990 -0.113 0.000 1.202 63 C CA 0.074 59.003 59.018 -0.148 0.000 1.398 63 C CB 0.859 28.535 27.740 -0.106 0.000 2.047 63 C HN 1.126 nan 8.230 nan 0.000 0.465 64 T N 0.454 114.957 114.554 -0.085 0.000 2.938 64 T HA 0.829 5.179 4.350 -0.000 0.000 0.285 64 T C 0.441 175.124 174.700 -0.028 0.000 1.028 64 T CA -0.238 61.834 62.100 -0.047 0.000 1.005 64 T CB 1.544 70.388 68.868 -0.039 0.000 1.157 64 T HN 0.848 nan 8.240 nan 0.000 0.550 65 G N -0.284 108.515 108.800 -0.003 0.000 2.525 65 G HA2 0.443 4.403 3.960 -0.000 0.000 0.287 65 G HA3 0.443 4.403 3.960 -0.000 0.000 0.287 65 G C -0.359 174.547 174.900 0.010 0.000 1.350 65 G CA -0.429 44.676 45.100 0.008 0.000 1.039 65 G HN 0.876 nan 8.290 nan 0.000 0.513 66 D N -1.026 119.383 120.400 0.016 0.000 2.615 66 D HA 0.167 4.807 4.640 -0.000 0.000 0.236 66 D C -0.215 176.100 176.300 0.025 0.000 1.233 66 D CA -0.542 53.467 54.000 0.015 0.000 0.829 66 D CB 0.158 40.965 40.800 0.011 0.000 1.024 66 D HN 0.277 nan 8.370 nan 0.000 0.490 67 D N -1.117 119.304 120.400 0.036 0.000 2.529 67 D HA 0.217 4.857 4.640 -0.000 0.000 0.273 67 D C 1.002 177.332 176.300 0.050 0.000 1.197 67 D CA -0.842 53.185 54.000 0.045 0.000 1.070 67 D CB 0.373 41.208 40.800 0.058 0.000 1.134 67 D HN -0.101 nan 8.370 nan 0.000 0.590 68 S N -0.661 115.073 115.700 0.057 0.000 2.406 68 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 68 S C 1.827 176.479 174.600 0.088 0.000 1.020 68 S CA 0.354 58.591 58.200 0.062 0.000 0.965 68 S CB -0.443 62.792 63.200 0.058 0.000 0.798 68 S HN 0.561 nan 8.310 nan 0.000 0.488 69 I N 3.453 124.086 120.570 0.105 0.000 2.286 69 I HA -0.031 4.138 4.170 -0.000 0.000 0.248 69 I C 2.127 178.329 176.117 0.141 0.000 1.115 69 I CA 1.244 62.640 61.300 0.161 0.000 1.392 69 I CB -1.446 36.654 38.000 0.167 0.000 1.065 69 I HN 0.219 nan 8.210 nan 0.000 0.418 70 G N 0.059 108.909 108.800 0.083 0.000 2.421 70 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.216 70 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.216 70 G C 1.535 176.442 174.900 0.013 0.000 1.171 70 G CA 1.048 46.170 45.100 0.036 0.000 0.775 70 G HN 0.527 nan 8.290 nan 0.000 0.543 71 E N 1.144 121.363 120.200 0.031 0.000 2.072 71 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 71 E C 2.622 179.241 176.600 0.032 0.000 0.985 71 E CA 1.646 58.060 56.400 0.024 0.000 0.801 71 E CB -0.532 29.187 29.700 0.032 0.000 0.750 71 E HN 0.301 nan 8.360 nan 0.000 0.452 72 S N -0.285 115.464 115.700 0.081 0.000 2.368 72 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 72 S C 2.009 176.622 174.600 0.022 0.000 1.030 72 S CA 1.112 59.398 58.200 0.143 0.000 0.999 72 S CB -0.534 62.846 63.200 0.300 0.000 0.844 72 S HN 0.303 nan 8.310 nan 0.000 0.459 73 V N 2.382 122.183 119.914 -0.188 0.000 2.427 73 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 73 V C 2.167 178.051 176.094 -0.350 0.000 1.051 73 V CA 1.607 63.465 62.300 -0.737 0.000 1.048 73 V CB -0.444 30.925 31.823 -0.756 0.000 0.666 73 V HN 0.383 nan 8.190 nan 0.000 0.456 74 R N -0.438 119.969 120.500 -0.154 0.000 2.081 74 R HA -0.205 4.134 4.340 -0.000 0.000 0.235 74 R C 2.470 178.742 176.300 -0.047 0.000 1.131 74 R CA 2.042 58.097 56.100 -0.075 0.000 0.960 74 R CB -0.520 29.757 30.300 -0.039 0.000 0.856 74 R HN 0.612 nan 8.270 nan 0.000 0.436 75 Q N 0.630 120.413 119.800 -0.028 0.000 2.084 75 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 75 Q C 2.200 178.208 176.000 0.012 0.000 0.978 75 Q CA 1.753 57.560 55.803 0.007 0.000 0.844 75 Q CB 0.123 28.881 28.738 0.034 0.000 0.898 75 Q HN 0.180 nan 8.270 nan 0.000 0.426 76 Q N 0.356 120.147 119.800 -0.016 0.000 2.079 76 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 76 Q C 1.891 177.884 176.000 -0.010 0.000 0.974 76 Q CA 1.408 57.223 55.803 0.021 0.000 0.840 76 Q CB -0.264 28.505 28.738 0.051 0.000 0.898 76 Q HN 0.476 nan 8.270 nan 0.000 0.430 77 L N 0.066 121.244 121.223 -0.075 0.000 2.046 77 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 77 L C 2.471 179.343 176.870 0.003 0.000 1.077 77 L CA 1.047 55.860 54.840 -0.045 0.000 0.747 77 L CB -0.901 41.147 42.059 -0.019 0.000 0.896 77 L HN 0.340 nan 8.230 nan 0.000 0.432 78 A N 0.209 123.040 122.820 0.018 0.000 1.986 78 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 78 A C 2.363 179.984 177.584 0.062 0.000 1.171 78 A CA 2.395 54.454 52.037 0.037 0.000 0.640 78 A CB -0.982 18.037 19.000 0.032 0.000 0.811 78 A HN 0.555 nan 8.150 nan 0.000 0.451 79 T N -3.677 110.926 114.554 0.082 0.000 3.113 79 T HA 0.027 4.377 4.350 -0.000 0.000 0.256 79 T C 0.550 175.392 174.700 0.236 0.000 1.131 79 T CA 0.898 63.082 62.100 0.140 0.000 1.074 79 T CB -0.124 68.826 68.868 0.138 0.000 0.944 79 T HN 0.322 nan 8.240 nan 0.000 0.516 80 D N 1.962 122.440 120.400 0.130 0.000 2.370 80 D HA 0.135 4.774 4.640 -0.000 0.000 0.230 80 D C 0.621 176.918 176.300 -0.005 0.000 1.143 80 D CA -0.058 53.960 54.000 0.030 0.000 0.834 80 D CB -0.454 40.277 40.800 -0.115 0.000 0.944 80 D HN 0.432 nan 8.370 nan 0.000 0.504 81 N N 0.368 119.126 118.700 0.098 0.000 2.747 81 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 81 N C -1.042 174.475 175.510 0.012 0.000 1.107 81 N CA 0.411 53.504 53.050 0.072 0.000 0.707 81 N CB -1.337 37.211 38.487 0.101 0.000 1.054 81 N HN 0.282 nan 8.380 nan 0.000 0.555 82 I N -0.008 120.565 120.570 0.004 0.000 2.404 82 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 82 I C 0.156 176.293 176.117 0.033 0.000 0.992 82 I CA -0.933 60.366 61.300 -0.001 0.000 1.149 82 I CB 1.324 39.309 38.000 -0.025 0.000 1.315 82 I HN 0.100 nan 8.210 nan 0.000 0.446 83 D N 6.918 127.342 120.400 0.040 0.000 2.344 83 D HA 0.116 4.756 4.640 -0.000 0.000 0.253 83 D C 0.717 177.058 176.300 0.069 0.000 1.255 83 D CA -0.115 53.913 54.000 0.046 0.000 0.894 83 D CB 0.742 41.563 40.800 0.035 0.000 1.067 83 D HN 0.494 nan 8.370 nan 0.000 0.492 84 I N 0.607 121.212 120.570 0.059 0.000 3.812 84 I HA 0.087 4.257 4.170 -0.000 0.000 0.320 84 I C 1.345 177.473 176.117 0.018 0.000 1.276 84 I CA -0.437 60.898 61.300 0.059 0.000 1.164 84 I CB -0.058 37.971 38.000 0.050 0.000 1.009 84 I HN 0.066 nan 8.210 nan 0.000 0.431 85 T N 2.817 117.381 114.554 0.016 0.000 2.699 85 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 85 T C -0.608 174.082 174.700 -0.016 0.000 1.036 85 T CA 1.907 64.008 62.100 0.000 0.000 1.147 85 T CB -1.145 67.726 68.868 0.004 0.000 0.862 85 T HN 0.437 nan 8.240 nan 0.000 0.446 86 P HA 0.293 nan 4.420 nan 0.000 0.253 86 P C -0.702 176.536 177.300 -0.104 0.000 1.459 86 P CA 0.121 63.193 63.100 -0.047 0.000 0.908 86 P CB -0.240 31.441 31.700 -0.031 0.000 1.470 87 V N 0.413 120.263 119.914 -0.106 0.000 2.353 87 V HA 0.161 4.281 4.120 -0.000 0.000 0.264 87 V C 0.708 176.735 176.094 -0.113 0.000 1.049 87 V CA 0.037 62.238 62.300 -0.165 0.000 0.896 87 V CB 0.700 32.433 31.823 -0.150 0.000 1.025 87 V HN 0.068 nan 8.190 nan 0.000 0.475 88 S N 3.907 119.535 115.700 -0.119 0.000 2.586 88 S HA 0.461 4.931 4.470 -0.000 0.000 0.274 88 S C -0.055 174.503 174.600 -0.071 0.000 1.281 88 S CA -0.457 57.694 58.200 -0.081 0.000 1.035 88 S CB 1.627 64.780 63.200 -0.078 0.000 0.962 88 S HN 0.461 nan 8.310 nan 0.000 0.512 89 V N 4.890 124.775 119.914 -0.048 0.000 2.318 89 V HA 0.281 4.401 4.120 -0.000 0.000 0.271 89 V C -0.302 175.775 176.094 -0.028 0.000 1.030 89 V CA -0.547 61.732 62.300 -0.034 0.000 0.844 89 V CB 0.562 32.371 31.823 -0.023 0.000 1.015 89 V HN 0.665 nan 8.190 nan 0.000 0.460 90 I N 5.459 126.012 120.570 -0.028 0.000 2.291 90 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 90 I C 0.654 176.764 176.117 -0.012 0.000 1.064 90 I CA -0.459 60.827 61.300 -0.023 0.000 1.269 90 I CB 0.743 38.726 38.000 -0.029 0.000 1.418 90 I HN 0.582 nan 8.210 nan 0.000 0.485 91 K N 4.119 124.514 120.400 -0.009 0.000 2.382 91 K HA 0.384 4.704 4.320 -0.000 0.000 0.275 91 K C 1.171 177.772 176.600 0.001 0.000 1.009 91 K CA 0.419 56.704 56.287 -0.002 0.000 0.970 91 K CB 0.369 32.868 32.500 -0.002 0.000 0.934 91 K HN 0.856 nan 8.250 nan 0.000 0.479 92 G N 0.776 109.581 108.800 0.007 0.000 2.176 92 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 92 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 92 G C -0.155 174.755 174.900 0.017 0.000 0.979 92 G CA -0.030 45.076 45.100 0.011 0.000 0.641 92 G HN 0.521 nan 8.290 nan 0.000 0.530 93 E N 0.379 120.589 120.200 0.016 0.000 2.263 93 E HA 0.666 5.016 4.350 -0.000 0.000 0.264 93 E C 0.318 176.942 176.600 0.040 0.000 0.923 93 E CA 0.086 56.501 56.400 0.024 0.000 0.802 93 E CB 1.711 31.413 29.700 0.003 0.000 1.228 93 E HN 0.485 nan 8.360 nan 0.000 0.417 94 S N -0.241 115.502 115.700 0.071 0.000 2.654 94 S HA 0.469 4.939 4.470 -0.000 0.000 0.283 94 S C 0.245 174.892 174.600 0.079 0.000 1.180 94 S CA -0.730 57.525 58.200 0.092 0.000 1.021 94 S CB 0.992 64.279 63.200 0.146 0.000 1.018 94 S HN 0.295 nan 8.310 nan 0.000 0.532 95 T N 2.002 116.606 114.554 0.083 0.000 2.926 95 T HA 0.412 4.762 4.350 -0.000 0.000 0.307 95 T C 1.058 175.817 174.700 0.099 0.000 1.059 95 T CA 0.284 62.427 62.100 0.072 0.000 1.122 95 T CB 0.065 68.984 68.868 0.085 0.000 0.972 95 T HN 0.899 nan 8.240 nan 0.000 0.545 96 G N 0.964 109.797 108.800 0.054 0.000 2.559 96 G HA2 0.405 4.365 3.960 -0.000 0.000 0.235 96 G HA3 0.405 4.365 3.960 -0.000 0.000 0.235 96 G C -0.728 174.260 174.900 0.148 0.000 1.266 96 G CA -0.365 44.767 45.100 0.052 0.000 0.847 96 G HN 0.637 nan 8.290 nan 0.000 0.583 97 V N 0.671 120.701 119.914 0.192 0.000 2.789 97 V HA 0.753 4.873 4.120 -0.000 0.000 0.311 97 V C 0.129 176.323 176.094 0.167 0.000 1.073 97 V CA -0.551 61.879 62.300 0.218 0.000 0.921 97 V CB 1.836 33.794 31.823 0.225 0.000 1.009 97 V HN 1.229 nan 8.190 nan 0.000 0.426 98 A N 5.021 127.943 122.820 0.169 0.000 2.356 98 A HA 0.892 5.212 4.320 -0.000 0.000 0.310 98 A C -1.113 176.538 177.584 0.111 0.000 1.075 98 A CA -0.534 51.565 52.037 0.104 0.000 0.746 98 A CB 1.059 20.104 19.000 0.076 0.000 1.221 98 A HN 0.775 nan 8.150 nan 0.000 0.443 99 L N 3.227 124.459 121.223 0.014 0.000 2.282 99 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 99 L C -0.797 175.993 176.870 -0.135 0.000 1.033 99 L CA -0.214 54.605 54.840 -0.035 0.000 0.807 99 L CB 1.039 43.020 42.059 -0.131 0.000 1.209 99 L HN 0.566 nan 8.230 nan 0.000 0.423 100 I N 2.797 123.333 120.570 -0.056 0.000 2.499 100 I HA 0.400 4.570 4.170 -0.000 0.000 0.288 100 I C -0.982 175.204 176.117 0.114 0.000 1.048 100 I CA -0.446 60.829 61.300 -0.041 0.000 1.062 100 I CB 2.036 40.073 38.000 0.061 0.000 1.238 100 I HN 0.269 nan 8.210 nan 0.000 0.426 101 F N 5.318 125.354 119.950 0.144 0.000 2.436 101 F HA 0.539 5.066 4.527 -0.000 0.000 0.340 101 F C 0.115 176.114 175.800 0.332 0.000 1.113 101 F CA -1.282 56.859 58.000 0.236 0.000 1.022 101 F CB 1.742 40.920 39.000 0.297 0.000 1.128 101 F HN -0.022 nan 8.300 nan 0.000 0.466 102 V N 4.646 124.842 119.914 0.470 0.000 2.378 102 V HA 0.296 4.416 4.120 -0.000 0.000 0.288 102 V C -0.041 176.144 176.094 0.151 0.000 1.016 102 V CA -1.026 61.469 62.300 0.324 0.000 0.840 102 V CB 1.242 33.180 31.823 0.191 0.000 0.994 102 V HN 0.789 nan 8.190 nan 0.000 0.431 103 N N 4.117 122.774 118.700 -0.072 0.000 2.322 103 N HA 0.238 4.978 4.740 -0.000 0.000 0.270 103 N C 1.463 176.862 175.510 -0.185 0.000 1.286 103 N CA 0.169 52.992 53.050 -0.377 0.000 0.948 103 N CB 0.419 38.299 38.487 -1.011 0.000 1.164 103 N HN 0.476 nan 8.380 nan 0.000 0.551 104 G N -0.922 107.763 108.800 -0.192 0.000 2.450 104 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.220 104 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.220 104 G C 1.111 175.964 174.900 -0.077 0.000 1.130 104 G CA 1.090 46.126 45.100 -0.107 0.000 0.760 104 G HN 0.871 nan 8.290 nan 0.000 0.557 105 E N -0.160 119.987 120.200 -0.090 0.000 2.158 105 E HA 0.230 4.580 4.350 -0.000 0.000 0.191 105 E C 1.649 178.237 176.600 -0.021 0.000 0.982 105 E CA 1.036 57.408 56.400 -0.047 0.000 0.823 105 E CB -0.253 29.423 29.700 -0.040 0.000 0.766 105 E HN 0.528 nan 8.360 nan 0.000 0.468 106 G N 1.479 110.269 108.800 -0.017 0.000 2.148 106 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.157 106 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.157 106 G C -0.194 174.751 174.900 0.074 0.000 1.012 106 G CA 0.102 45.219 45.100 0.028 0.000 0.677 106 G HN 0.405 nan 8.290 nan 0.000 0.506 107 E N 1.011 121.268 120.200 0.095 0.000 2.366 107 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 107 E C 0.631 177.475 176.600 0.407 0.000 1.051 107 E CA -0.349 56.178 56.400 0.211 0.000 0.884 107 E CB 0.399 30.241 29.700 0.237 0.000 1.006 107 E HN 0.546 nan 8.360 nan 0.000 0.417 108 N N 1.415 120.319 118.700 0.341 0.000 2.321 108 N HA 0.485 5.225 4.740 -0.000 0.000 0.290 108 N C -1.496 174.064 175.510 0.083 0.000 1.212 108 N CA -0.759 52.476 53.050 0.308 0.000 0.767 108 N CB 1.867 40.464 38.487 0.183 0.000 1.494 108 N HN 0.241 nan 8.380 nan 0.000 0.479 109 V N 1.113 121.006 119.914 -0.035 0.000 2.789 109 V HA 0.566 4.686 4.120 -0.000 0.000 0.311 109 V C -0.648 175.353 176.094 -0.155 0.000 1.073 109 V CA -0.651 61.522 62.300 -0.211 0.000 0.921 109 V CB 1.866 33.389 31.823 -0.500 0.000 1.009 109 V HN 0.648 nan 8.190 nan 0.000 0.426 110 I N 2.836 123.320 120.570 -0.142 0.000 2.534 110 I HA 0.679 4.848 4.170 -0.000 0.000 0.288 110 I C 0.262 176.309 176.117 -0.117 0.000 1.077 110 I CA -0.418 60.813 61.300 -0.116 0.000 1.051 110 I CB 2.283 40.254 38.000 -0.049 0.000 1.234 110 I HN 0.728 nan 8.210 nan 0.000 0.425 111 G N 6.607 115.329 108.800 -0.131 0.000 2.461 111 G HA2 0.827 4.787 3.960 -0.000 0.000 0.323 111 G HA3 0.827 4.787 3.960 -0.000 0.000 0.323 111 G C -1.040 173.838 174.900 -0.036 0.000 1.229 111 G CA -0.425 44.622 45.100 -0.088 0.000 0.941 111 G HN 0.452 nan 8.290 nan 0.000 0.477 112 I N 0.717 121.285 120.570 -0.003 0.000 2.608 112 I HA 0.287 4.457 4.170 -0.000 0.000 0.295 112 I C -1.022 175.140 176.117 0.076 0.000 1.049 112 I CA -1.033 60.287 61.300 0.034 0.000 1.063 112 I CB 2.752 40.761 38.000 0.015 0.000 1.248 112 I HN 0.692 nan 8.210 nan 0.000 0.424 113 H N 5.142 124.210 119.070 -0.003 0.000 2.551 113 H HA 0.541 5.097 4.556 -0.000 0.000 0.321 113 H C 0.259 175.591 175.328 0.008 0.000 1.028 113 H CA -0.378 55.669 56.048 -0.002 0.000 1.215 113 H CB 1.887 31.647 29.762 -0.004 0.000 1.414 113 H HN 0.674 nan 8.280 nan 0.000 0.480 114 A N 4.393 127.004 122.820 -0.349 0.000 1.930 114 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 114 A C 2.034 179.398 177.584 -0.368 0.000 1.175 114 A CA 1.164 53.040 52.037 -0.268 0.000 0.627 114 A CB -1.280 17.620 19.000 -0.167 0.000 0.815 114 A HN 1.265 nan 8.150 nan 0.000 0.443 115 G N -0.896 107.484 108.800 -0.700 0.000 2.661 115 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.327 115 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.327 115 G C 1.470 176.269 174.900 -0.168 0.000 1.320 115 G CA 1.904 46.768 45.100 -0.394 0.000 0.997 115 G HN 1.566 nan 8.290 nan 0.000 0.543 116 A N -0.346 122.420 122.820 -0.091 0.000 2.070 116 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 116 A C 2.182 179.722 177.584 -0.073 0.000 1.159 116 A CA 2.190 54.189 52.037 -0.063 0.000 0.656 116 A CB -0.496 18.478 19.000 -0.042 0.000 0.800 116 A HN 0.652 nan 8.150 nan 0.000 0.453 117 N N 0.616 119.267 118.700 -0.081 0.000 2.272 117 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 117 N C 1.658 177.127 175.510 -0.068 0.000 1.014 117 N CA 1.350 54.358 53.050 -0.071 0.000 0.870 117 N CB -0.379 38.074 38.487 -0.057 0.000 0.975 117 N HN 0.520 nan 8.380 nan 0.000 0.433 118 A N 0.360 123.134 122.820 -0.077 0.000 2.206 118 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 118 A C 2.055 179.608 177.584 -0.052 0.000 1.158 118 A CA 1.039 53.038 52.037 -0.064 0.000 0.761 118 A CB -0.144 18.812 19.000 -0.072 0.000 0.801 118 A HN 0.275 nan 8.150 nan 0.000 0.473 119 A N -0.896 121.892 122.820 -0.054 0.000 2.218 119 A HA 0.363 4.683 4.320 -0.000 0.000 0.209 119 A C 0.925 178.481 177.584 -0.048 0.000 1.168 119 A CA -0.201 51.809 52.037 -0.046 0.000 0.804 119 A CB -0.341 18.633 19.000 -0.043 0.000 0.834 119 A HN 0.446 nan 8.150 nan 0.000 0.482 120 L N 2.755 123.945 121.223 -0.055 0.000 2.617 120 L HA 0.115 4.455 4.340 -0.000 0.000 0.282 120 L C 0.490 177.335 176.870 -0.042 0.000 1.174 120 L CA -0.361 54.444 54.840 -0.058 0.000 1.016 120 L CB -0.026 41.992 42.059 -0.068 0.000 1.337 120 L HN 0.487 nan 8.230 nan 0.000 0.460 121 S N 3.111 118.788 115.700 -0.037 0.000 2.745 121 S HA 0.568 5.038 4.470 -0.000 0.000 0.292 121 S C -1.964 172.621 174.600 -0.024 0.000 1.133 121 S CA -1.380 56.803 58.200 -0.028 0.000 0.998 121 S CB 1.334 64.519 63.200 -0.025 0.000 1.087 121 S HN 0.281 nan 8.310 nan 0.000 0.551 122 P HA 0.013 nan 4.420 nan 0.000 0.218 122 P C 1.519 178.810 177.300 -0.015 0.000 1.149 122 P CA 1.721 64.813 63.100 -0.014 0.000 0.817 122 P CB -0.267 31.426 31.700 -0.011 0.000 0.785 123 A N -0.412 122.399 122.820 -0.016 0.000 1.908 123 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 123 A C 2.209 179.782 177.584 -0.019 0.000 1.181 123 A CA 1.492 53.520 52.037 -0.016 0.000 0.627 123 A CB -1.663 17.328 19.000 -0.016 0.000 0.818 123 A HN 0.132 nan 8.150 nan 0.000 0.445 124 L N -0.669 120.539 121.223 -0.025 0.000 2.093 124 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 124 L C 2.501 179.353 176.870 -0.029 0.000 1.085 124 L CA 0.861 55.683 54.840 -0.031 0.000 0.755 124 L CB -0.411 41.622 42.059 -0.043 0.000 0.904 124 L HN 0.262 nan 8.230 nan 0.000 0.435 125 V N -0.438 119.461 119.914 -0.025 0.000 2.358 125 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 125 V C 2.421 178.507 176.094 -0.013 0.000 1.047 125 V CA 1.676 63.965 62.300 -0.019 0.000 1.035 125 V CB -0.339 31.476 31.823 -0.013 0.000 0.658 125 V HN 0.367 nan 8.190 nan 0.000 0.452 126 E N 0.641 120.834 120.200 -0.011 0.000 2.153 126 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 126 E C 2.108 178.703 176.600 -0.009 0.000 0.988 126 E CA 1.337 57.732 56.400 -0.008 0.000 0.811 126 E CB -0.429 29.267 29.700 -0.007 0.000 0.746 126 E HN 0.548 nan 8.360 nan 0.000 0.466 127 A N 0.031 122.843 122.820 -0.013 0.000 2.067 127 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 127 A C 1.553 179.130 177.584 -0.012 0.000 1.158 127 A CA 0.972 53.001 52.037 -0.013 0.000 0.661 127 A CB -0.131 18.858 19.000 -0.017 0.000 0.801 127 A HN 0.123 nan 8.150 nan 0.000 0.452 128 Q N -0.735 119.057 119.800 -0.013 0.000 2.222 128 Q HA 0.117 4.457 4.340 -0.000 0.000 0.206 128 Q C 1.510 177.508 176.000 -0.004 0.000 0.877 128 Q CA 0.020 55.818 55.803 -0.010 0.000 0.958 128 Q CB -0.036 28.695 28.738 -0.012 0.000 1.075 128 Q HN 0.794 nan 8.270 nan 0.000 0.483 129 R N 1.223 121.721 120.500 -0.004 0.000 2.094 129 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 129 R C 1.583 177.882 176.300 -0.000 0.000 1.137 129 R CA 1.854 57.953 56.100 -0.001 0.000 0.943 129 R CB 0.234 30.533 30.300 -0.001 0.000 0.850 129 R HN 0.082 nan 8.270 nan 0.000 0.433 130 E N 0.116 120.315 120.200 -0.002 0.000 2.058 130 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 130 E C 2.086 178.686 176.600 -0.001 0.000 0.997 130 E CA 1.633 58.032 56.400 -0.002 0.000 0.801 130 E CB -0.104 29.594 29.700 -0.003 0.000 0.746 130 E HN 0.246 nan 8.360 nan 0.000 0.450 131 R N -0.038 120.462 120.500 0.000 0.000 2.091 131 R HA -0.129 4.210 4.340 -0.000 0.000 0.238 131 R C 2.293 178.596 176.300 0.005 0.000 1.136 131 R CA 1.646 57.748 56.100 0.003 0.000 0.959 131 R CB -0.312 29.990 30.300 0.003 0.000 0.856 131 R HN 0.256 nan 8.270 nan 0.000 0.437 132 I N 0.381 120.955 120.570 0.005 0.000 2.252 132 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 132 I C 2.492 178.612 176.117 0.005 0.000 1.102 132 I CA 1.117 62.422 61.300 0.008 0.000 1.385 132 I CB -0.281 37.726 38.000 0.011 0.000 1.064 132 I HN 0.254 nan 8.210 nan 0.000 0.414 133 A N 0.725 123.546 122.820 0.002 0.000 1.969 133 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 133 A C 1.915 179.496 177.584 -0.005 0.000 1.169 133 A CA 1.680 53.715 52.037 -0.002 0.000 0.635 133 A CB -0.472 18.526 19.000 -0.004 0.000 0.810 133 A HN 0.394 nan 8.150 nan 0.000 0.445 134 N N -0.084 118.614 118.700 -0.003 0.000 2.422 134 N HA 0.200 4.940 4.740 -0.000 0.000 0.181 134 N C 0.655 176.163 175.510 -0.004 0.000 1.080 134 N CA 0.754 53.802 53.050 -0.005 0.000 0.893 134 N CB -0.283 38.202 38.487 -0.003 0.000 0.973 134 N HN 0.462 nan 8.380 nan 0.000 0.456 135 A N -0.078 122.741 122.820 -0.002 0.000 2.366 135 A HA 0.341 4.661 4.320 -0.000 0.000 0.249 135 A C 1.226 178.807 177.584 -0.005 0.000 1.084 135 A CA -0.209 51.827 52.037 -0.001 0.000 0.794 135 A CB 0.382 19.384 19.000 0.004 0.000 1.034 135 A HN 0.179 nan 8.150 nan 0.000 0.491 136 S N -0.096 115.599 115.700 -0.008 0.000 2.446 136 S HA 0.367 4.837 4.470 -0.000 0.000 0.225 136 S C 0.742 175.336 174.600 -0.009 0.000 1.016 136 S CA 0.872 59.065 58.200 -0.012 0.000 0.943 136 S CB -0.131 63.059 63.200 -0.018 0.000 0.786 136 S HN 1.304 nan 8.310 nan 0.000 0.508 137 A N 0.552 123.369 122.820 -0.007 0.000 2.606 137 A HA 0.755 5.075 4.320 -0.000 0.000 0.293 137 A C -1.969 175.618 177.584 0.005 0.000 1.082 137 A CA -0.662 51.373 52.037 -0.003 0.000 0.685 137 A CB 1.264 20.257 19.000 -0.012 0.000 1.284 137 A HN 0.210 nan 8.150 nan 0.000 0.408 138 L N 1.328 122.558 121.223 0.011 0.000 2.404 138 L HA 0.794 5.134 4.340 -0.000 0.000 0.272 138 L C -1.714 175.168 176.870 0.020 0.000 0.980 138 L CA -0.546 54.306 54.840 0.020 0.000 0.836 138 L CB 1.509 43.583 42.059 0.025 0.000 1.238 138 L HN 0.765 nan 8.230 nan 0.000 0.408 139 L N 6.091 127.328 121.223 0.022 0.000 2.313 139 L HA 0.818 5.158 4.340 -0.000 0.000 0.283 139 L C -1.060 175.832 176.870 0.037 0.000 1.013 139 L CA -0.014 54.838 54.840 0.020 0.000 0.816 139 L CB 1.377 43.437 42.059 0.001 0.000 1.236 139 L HN 0.788 nan 8.230 nan 0.000 0.419 140 M N 3.507 123.129 119.600 0.036 0.000 2.664 140 M HA 0.569 5.049 4.480 -0.000 0.000 0.279 140 M C -1.082 175.241 176.300 0.037 0.000 1.275 140 M CA -0.699 54.627 55.300 0.044 0.000 0.829 140 M CB 2.505 35.127 32.600 0.036 0.000 1.727 140 M HN 0.561 nan 8.290 nan 0.000 0.459 141 Q N 0.055 119.879 119.800 0.039 0.000 3.177 141 Q HA 0.649 4.989 4.340 -0.000 0.000 0.339 141 Q C -0.728 175.286 176.000 0.024 0.000 0.912 141 Q CA -0.817 55.005 55.803 0.032 0.000 0.818 141 Q CB 1.298 30.058 28.738 0.038 0.000 1.448 141 Q HN 0.660 nan 8.270 nan 0.000 0.489 142 L N 0.597 121.831 121.223 0.020 0.000 3.218 142 L HA 0.390 4.730 4.340 -0.000 0.000 0.279 142 L C 0.342 177.217 176.870 0.008 0.000 1.287 142 L CA 0.202 55.049 54.840 0.011 0.000 1.024 142 L CB 0.475 42.538 42.059 0.007 0.000 1.409 142 L HN 0.664 nan 8.230 nan 0.000 0.580 143 E N -0.319 119.890 120.200 0.014 0.000 2.463 143 E HA 0.155 4.505 4.350 -0.000 0.000 0.193 143 E C 0.101 176.701 176.600 0.000 0.000 1.041 143 E CA -0.061 56.345 56.400 0.009 0.000 0.879 143 E CB 0.685 30.397 29.700 0.021 0.000 0.997 143 E HN 0.224 nan 8.360 nan 0.000 0.478 144 S N 0.853 116.552 115.700 -0.000 0.000 2.600 144 S HA 0.458 4.928 4.470 -0.000 0.000 0.300 144 S C -2.612 171.980 174.600 -0.013 0.000 1.087 144 S CA -1.423 56.771 58.200 -0.011 0.000 0.965 144 S CB 1.509 64.704 63.200 -0.008 0.000 1.089 144 S HN -0.042 nan 8.310 nan 0.000 0.496 145 P HA 0.109 nan 4.420 nan 0.000 0.264 145 P C 0.785 178.078 177.300 -0.013 0.000 1.193 145 P CA -0.296 62.794 63.100 -0.017 0.000 0.763 145 P CB 0.359 32.046 31.700 -0.021 0.000 0.810 146 L N 4.103 125.320 121.223 -0.011 0.000 2.021 146 L HA -0.281 4.059 4.340 -0.000 0.000 0.215 146 L C 1.820 178.685 176.870 -0.009 0.000 1.074 146 L CA 2.104 56.939 54.840 -0.008 0.000 0.760 146 L CB -0.943 41.111 42.059 -0.008 0.000 0.889 146 L HN 0.331 nan 8.230 nan 0.000 0.433 147 E N -0.841 119.353 120.200 -0.010 0.000 2.130 147 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 147 E C 2.140 178.735 176.600 -0.009 0.000 0.998 147 E CA 1.695 58.089 56.400 -0.010 0.000 0.806 147 E CB -0.498 29.196 29.700 -0.011 0.000 0.738 147 E HN 0.504 nan 8.360 nan 0.000 0.459 148 S N -0.166 115.528 115.700 -0.011 0.000 2.395 148 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 148 S C 2.113 176.710 174.600 -0.006 0.000 1.027 148 S CA 0.627 58.821 58.200 -0.011 0.000 0.965 148 S CB -0.088 63.101 63.200 -0.018 0.000 0.812 148 S HN 0.055 nan 8.310 nan 0.000 0.482 149 V N 2.013 121.925 119.914 -0.004 0.000 2.407 149 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 149 V C 2.330 178.425 176.094 0.002 0.000 1.055 149 V CA 1.988 64.289 62.300 0.002 0.000 1.049 149 V CB -0.554 31.270 31.823 0.003 0.000 0.662 149 V HN 0.452 nan 8.190 nan 0.000 0.455 150 M N 0.595 120.193 119.600 -0.003 0.000 2.175 150 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 150 M C 2.018 178.318 176.300 0.000 0.000 1.063 150 M CA 2.141 57.438 55.300 -0.004 0.000 1.119 150 M CB -0.504 32.091 32.600 -0.008 0.000 1.377 150 M HN 0.229 nan 8.290 nan 0.000 0.415 151 A N -0.145 122.676 122.820 0.001 0.000 1.898 151 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 151 A C 2.346 179.935 177.584 0.010 0.000 1.181 151 A CA 1.775 53.814 52.037 0.004 0.000 0.620 151 A CB -1.353 17.647 19.000 -0.001 0.000 0.819 151 A HN 0.634 nan 8.150 nan 0.000 0.442 152 A N -0.097 122.729 122.820 0.009 0.000 1.898 152 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 152 A C 2.490 180.089 177.584 0.025 0.000 1.181 152 A CA 1.967 54.013 52.037 0.015 0.000 0.620 152 A CB -0.971 18.036 19.000 0.013 0.000 0.819 152 A HN 1.021 nan 8.150 nan 0.000 0.442 153 A N -0.137 122.696 122.820 0.023 0.000 1.902 153 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 153 A C 2.108 179.727 177.584 0.058 0.000 1.181 153 A CA 1.861 53.917 52.037 0.032 0.000 0.623 153 A CB -0.409 18.596 19.000 0.010 0.000 0.818 153 A HN 0.546 nan 8.150 nan 0.000 0.443 154 K N -0.559 119.867 120.400 0.044 0.000 2.097 154 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 154 K C 1.760 178.411 176.600 0.085 0.000 1.050 154 K CA 1.333 57.662 56.287 0.069 0.000 0.938 154 K CB -0.301 32.221 32.500 0.038 0.000 0.718 154 K HN 0.527 nan 8.250 nan 0.000 0.442 155 I N 0.920 121.521 120.570 0.052 0.000 2.202 155 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 155 I C 2.486 178.629 176.117 0.043 0.000 1.091 155 I CA 1.140 62.464 61.300 0.038 0.000 1.368 155 I CB -0.341 37.672 38.000 0.022 0.000 1.058 155 I HN 0.144 nan 8.210 nan 0.000 0.410 156 A N 0.075 122.926 122.820 0.053 0.000 1.902 156 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 156 A C 2.192 179.812 177.584 0.061 0.000 1.181 156 A CA 2.239 54.305 52.037 0.048 0.000 0.623 156 A CB -1.020 18.010 19.000 0.050 0.000 0.818 156 A HN 0.561 nan 8.150 nan 0.000 0.443 157 H N -0.395 118.677 119.070 0.003 0.000 2.321 157 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 157 H C 2.014 177.343 175.328 0.002 0.000 1.087 157 H CA 2.026 58.076 56.048 0.003 0.000 1.319 157 H CB -0.074 29.690 29.762 0.004 0.000 1.379 157 H HN 0.361 nan 8.280 nan 0.000 0.501 158 Q N 0.032 119.801 119.800 -0.052 0.000 2.364 158 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 158 Q C 0.677 176.620 176.000 -0.095 0.000 0.977 158 Q CA 0.904 56.648 55.803 -0.099 0.000 0.885 158 Q CB 0.063 28.800 28.738 -0.002 0.000 0.941 158 Q HN 0.656 nan 8.270 nan 0.000 0.464 159 N N 0.171 118.831 118.700 -0.065 0.000 2.204 159 N HA 0.070 4.810 4.740 -0.000 0.000 0.219 159 N C -0.538 174.938 175.510 -0.057 0.000 1.151 159 N CA -0.079 52.941 53.050 -0.050 0.000 0.867 159 N CB 0.744 39.217 38.487 -0.024 0.000 1.043 159 N HN 0.101 nan 8.380 nan 0.000 0.516 160 K N 0.323 120.669 120.400 -0.089 0.000 3.069 160 K HA -0.116 4.204 4.320 -0.000 0.000 0.267 160 K C -0.718 175.863 176.600 -0.032 0.000 1.082 160 K CA 0.548 56.792 56.287 -0.073 0.000 0.782 160 K CB -1.697 30.763 32.500 -0.066 0.000 1.230 160 K HN 0.101 nan 8.250 nan 0.000 0.488 161 T N 1.141 115.686 114.554 -0.016 0.000 2.780 161 T HA 0.341 4.691 4.350 -0.000 0.000 0.294 161 T C 0.759 175.468 174.700 0.014 0.000 0.949 161 T CA -0.514 61.586 62.100 -0.000 0.000 1.074 161 T CB 0.641 69.513 68.868 0.006 0.000 0.910 161 T HN 0.124 nan 8.240 nan 0.000 0.501 162 I N 3.526 124.102 120.570 0.010 0.000 2.668 162 I HA 0.024 4.194 4.170 -0.000 0.000 0.285 162 I C 0.160 176.292 176.117 0.026 0.000 1.168 162 I CA -0.065 61.247 61.300 0.019 0.000 1.424 162 I CB 0.437 38.441 38.000 0.006 0.000 1.377 162 I HN 0.264 nan 8.210 nan 0.000 0.560 163 V N 7.126 127.064 119.914 0.040 0.000 2.348 163 V HA 0.490 4.610 4.120 -0.000 0.000 0.270 163 V C 0.469 176.580 176.094 0.029 0.000 1.037 163 V CA -0.506 61.817 62.300 0.038 0.000 0.872 163 V CB 0.896 32.748 31.823 0.049 0.000 1.002 163 V HN 0.815 nan 8.190 nan 0.000 0.464 164 A N 6.055 128.888 122.820 0.022 0.000 2.273 164 A HA 0.823 5.143 4.320 -0.000 0.000 0.315 164 A C -0.998 176.600 177.584 0.022 0.000 1.256 164 A CA -0.474 51.575 52.037 0.019 0.000 0.851 164 A CB 0.997 20.001 19.000 0.008 0.000 1.172 164 A HN 0.784 nan 8.150 nan 0.000 0.508 165 L N 3.013 124.251 121.223 0.024 0.000 2.325 165 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 165 L C -0.249 176.639 176.870 0.030 0.000 1.004 165 L CA -0.305 54.549 54.840 0.024 0.000 0.823 165 L CB 1.422 43.492 42.059 0.018 0.000 1.236 165 L HN 0.739 nan 8.230 nan 0.000 0.415 166 N N 6.844 125.564 118.700 0.034 0.000 2.527 166 N HA 0.338 5.078 4.740 -0.000 0.000 0.236 166 N C -2.351 173.177 175.510 0.030 0.000 0.999 166 N CA -1.534 51.540 53.050 0.040 0.000 0.935 166 N CB 1.404 39.920 38.487 0.049 0.000 1.132 166 N HN 0.443 nan 8.380 nan 0.000 0.511 167 P HA 0.173 nan 4.420 nan 0.000 0.226 167 P C -1.283 176.024 177.300 0.013 0.000 1.783 167 P CA -0.042 63.067 63.100 0.015 0.000 0.980 167 P CB -0.101 31.604 31.700 0.009 0.000 1.967 168 A N 2.361 125.190 122.820 0.016 0.000 2.414 168 A HA 0.762 5.082 4.320 -0.000 0.000 0.306 168 A C -2.902 174.689 177.584 0.013 0.000 1.054 168 A CA -2.251 49.794 52.037 0.013 0.000 0.724 168 A CB 1.171 20.181 19.000 0.018 0.000 1.267 168 A HN 0.026 nan 8.150 nan 0.000 0.418 169 P HA 0.299 nan 4.420 nan 0.000 0.271 169 P C -0.026 177.274 177.300 0.000 0.000 1.244 169 P CA 0.066 63.167 63.100 0.002 0.000 0.793 169 P CB 0.497 32.195 31.700 -0.003 0.000 0.984 170 A N 2.242 125.061 122.820 -0.002 0.000 2.520 170 A HA 0.380 4.700 4.320 -0.000 0.000 0.245 170 A C 0.542 178.123 177.584 -0.005 0.000 1.072 170 A CA 0.599 52.633 52.037 -0.003 0.000 0.761 170 A CB -0.680 18.317 19.000 -0.005 0.000 1.004 170 A HN 0.686 nan 8.150 nan 0.000 0.499 171 R N 1.286 121.783 120.500 -0.005 0.000 2.752 171 R HA 0.465 4.805 4.340 -0.000 0.000 0.277 171 R C -1.372 174.924 176.300 -0.006 0.000 1.024 171 R CA -0.929 55.167 56.100 -0.006 0.000 0.866 171 R CB 0.776 31.073 30.300 -0.006 0.000 1.278 171 R HN 0.534 nan 8.270 nan 0.000 0.473 172 E N 1.111 121.307 120.200 -0.006 0.000 2.313 172 E HA 0.302 4.652 4.350 -0.000 0.000 0.276 172 E C -0.606 175.990 176.600 -0.007 0.000 1.031 172 E CA -0.390 56.006 56.400 -0.007 0.000 0.857 172 E CB 1.107 30.803 29.700 -0.007 0.000 1.040 172 E HN 0.239 nan 8.360 nan 0.000 0.408 173 L N 4.193 125.411 121.223 -0.007 0.000 2.342 173 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 173 L C -2.041 174.824 176.870 -0.009 0.000 1.008 173 L CA -2.264 52.571 54.840 -0.008 0.000 0.818 173 L CB 1.472 43.526 42.059 -0.008 0.000 1.296 173 L HN 0.410 nan 8.230 nan 0.000 0.427 174 P HA 0.107 nan 4.420 nan 0.000 0.275 174 P C -0.399 176.892 177.300 -0.015 0.000 1.227 174 P CA -0.358 62.735 63.100 -0.012 0.000 0.781 174 P CB 1.124 32.817 31.700 -0.012 0.000 0.906 175 D N 1.207 121.598 120.400 -0.014 0.000 2.203 175 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 175 D C 1.535 177.820 176.300 -0.025 0.000 0.997 175 D CA 1.387 55.377 54.000 -0.016 0.000 0.863 175 D CB -0.016 40.776 40.800 -0.012 0.000 0.928 175 D HN 0.630 nan 8.370 nan 0.000 0.458 176 E N -0.236 119.948 120.200 -0.026 0.000 2.077 176 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 176 E C 2.081 178.653 176.600 -0.046 0.000 0.989 176 E CA 0.474 56.853 56.400 -0.035 0.000 0.800 176 E CB -0.014 29.670 29.700 -0.027 0.000 0.746 176 E HN 0.115 nan 8.360 nan 0.000 0.452 177 L N 0.877 122.079 121.223 -0.035 0.000 2.044 177 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 177 L C 2.148 178.995 176.870 -0.038 0.000 1.075 177 L CA 1.428 56.247 54.840 -0.035 0.000 0.747 177 L CB -0.519 41.528 42.059 -0.021 0.000 0.903 177 L HN 0.188 nan 8.230 nan 0.000 0.435 178 L N -0.198 121.008 121.223 -0.029 0.000 2.127 178 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 178 L C 2.560 179.412 176.870 -0.030 0.000 1.089 178 L CA 1.073 55.899 54.840 -0.023 0.000 0.757 178 L CB -0.958 41.092 42.059 -0.016 0.000 0.899 178 L HN 0.405 nan 8.230 nan 0.000 0.434 179 A N -0.185 122.606 122.820 -0.048 0.000 2.121 179 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 179 A C 2.083 179.594 177.584 -0.123 0.000 1.154 179 A CA 1.104 53.100 52.037 -0.068 0.000 0.679 179 A CB -0.407 18.547 19.000 -0.078 0.000 0.795 179 A HN 0.446 nan 8.150 nan 0.000 0.458 180 L N -0.519 120.623 121.223 -0.134 0.000 2.585 180 L HA 0.120 4.460 4.340 -0.000 0.000 0.226 180 L C -0.028 176.823 176.870 -0.031 0.000 1.113 180 L CA -0.279 54.455 54.840 -0.177 0.000 0.876 180 L CB 0.210 42.166 42.059 -0.171 0.000 1.072 180 L HN 0.043 nan 8.230 nan 0.000 0.468 181 V N 0.463 120.370 119.914 -0.012 0.000 2.649 181 V HA 0.057 4.177 4.120 -0.000 0.000 0.292 181 V C 0.531 176.647 176.094 0.037 0.000 1.055 181 V CA -0.075 62.235 62.300 0.017 0.000 1.023 181 V CB 1.562 33.391 31.823 0.009 0.000 0.992 181 V HN 0.154 nan 8.190 nan 0.000 0.480 182 D N 2.537 122.964 120.400 0.046 0.000 2.379 182 D HA 0.276 4.916 4.640 -0.000 0.000 0.218 182 D C 0.214 176.542 176.300 0.047 0.000 1.006 182 D CA 0.930 54.962 54.000 0.052 0.000 0.893 182 D CB 0.887 41.717 40.800 0.050 0.000 1.019 182 D HN 0.421 nan 8.370 nan 0.000 0.503 183 I N 1.183 121.775 120.570 0.036 0.000 2.534 183 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 183 I C -0.982 175.153 176.117 0.031 0.000 1.077 183 I CA -0.630 60.691 61.300 0.035 0.000 1.051 183 I CB 3.124 41.139 38.000 0.026 0.000 1.234 183 I HN -0.237 nan 8.210 nan 0.000 0.425 184 I N 4.699 125.286 120.570 0.029 0.000 2.646 184 I HA 0.514 4.683 4.170 -0.000 0.000 0.299 184 I C -0.196 175.949 176.117 0.047 0.000 1.036 184 I CA -0.218 61.098 61.300 0.027 0.000 1.074 184 I CB 2.326 40.329 38.000 0.005 0.000 1.258 184 I HN 0.703 nan 8.210 nan 0.000 0.430 185 T N 2.851 117.439 114.554 0.058 0.000 3.585 185 T HA 0.467 4.817 4.350 -0.000 0.000 0.252 185 T C -2.727 172.004 174.700 0.051 0.000 1.382 185 T CA -1.532 60.618 62.100 0.084 0.000 1.584 185 T CB 0.126 69.084 68.868 0.149 0.000 0.892 185 T HN 0.215 nan 8.240 nan 0.000 0.671 186 P HA 0.260 nan 4.420 nan 0.000 0.274 186 P C -0.080 177.222 177.300 0.004 0.000 1.231 186 P CA -0.321 62.787 63.100 0.014 0.000 0.790 186 P CB 0.836 32.539 31.700 0.006 0.000 0.951 187 N N 0.627 119.325 118.700 -0.004 0.000 2.431 187 N HA 0.058 4.798 4.740 -0.000 0.000 0.289 187 N C 0.827 176.332 175.510 -0.009 0.000 1.277 187 N CA -0.160 52.882 53.050 -0.014 0.000 0.972 187 N CB -0.319 38.159 38.487 -0.016 0.000 1.143 187 N HN 0.339 nan 8.380 nan 0.000 0.578 188 E N -1.155 119.038 120.200 -0.011 0.000 2.107 188 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 188 E C 1.390 177.984 176.600 -0.011 0.000 0.982 188 E CA 1.597 57.990 56.400 -0.012 0.000 0.809 188 E CB -0.295 29.397 29.700 -0.014 0.000 0.756 188 E HN 0.642 nan 8.360 nan 0.000 0.459 189 T N 1.229 115.779 114.554 -0.007 0.000 2.708 189 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 189 T C 1.645 176.341 174.700 -0.006 0.000 1.037 189 T CA 1.535 63.632 62.100 -0.006 0.000 1.146 189 T CB -0.224 68.643 68.868 -0.002 0.000 0.865 189 T HN 0.182 nan 8.240 nan 0.000 0.435 190 E N 1.185 121.382 120.200 -0.005 0.000 2.072 190 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 190 E C 2.532 179.128 176.600 -0.007 0.000 0.985 190 E CA 0.901 57.298 56.400 -0.004 0.000 0.801 190 E CB -0.325 29.374 29.700 -0.000 0.000 0.750 190 E HN 0.457 nan 8.360 nan 0.000 0.452 191 A N 1.427 124.242 122.820 -0.008 0.000 1.892 191 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 191 A C 2.151 179.726 177.584 -0.016 0.000 1.188 191 A CA 2.044 54.073 52.037 -0.013 0.000 0.631 191 A CB -0.644 18.348 19.000 -0.014 0.000 0.822 191 A HN 0.336 nan 8.150 nan 0.000 0.447 192 E N -0.331 119.859 120.200 -0.016 0.000 2.077 192 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 192 E C 2.013 178.605 176.600 -0.013 0.000 0.989 192 E CA 1.699 58.089 56.400 -0.016 0.000 0.800 192 E CB -0.123 29.569 29.700 -0.015 0.000 0.746 192 E HN 0.554 nan 8.360 nan 0.000 0.452 193 K N 0.277 120.671 120.400 -0.010 0.000 2.211 193 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 193 K C 1.858 178.453 176.600 -0.009 0.000 1.050 193 K CA 1.087 57.369 56.287 -0.009 0.000 0.945 193 K CB -0.026 32.469 32.500 -0.008 0.000 0.732 193 K HN 0.211 nan 8.250 nan 0.000 0.451 194 L N -0.196 121.021 121.223 -0.010 0.000 2.307 194 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 194 L C 2.000 178.863 176.870 -0.012 0.000 1.099 194 L CA 1.175 56.008 54.840 -0.011 0.000 0.816 194 L CB -0.109 41.943 42.059 -0.012 0.000 0.952 194 L HN 0.364 nan 8.230 nan 0.000 0.455 195 T N -5.290 109.256 114.554 -0.014 0.000 3.000 195 T HA 0.290 4.640 4.350 -0.000 0.000 0.248 195 T C 1.542 176.235 174.700 -0.012 0.000 1.034 195 T CA 0.580 62.672 62.100 -0.014 0.000 1.060 195 T CB 0.870 69.728 68.868 -0.018 0.000 0.983 195 T HN 0.307 nan 8.240 nan 0.000 0.482 196 G N 1.823 110.615 108.800 -0.013 0.000 2.199 196 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.254 196 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.254 196 G C 0.048 174.938 174.900 -0.015 0.000 0.982 196 G CA 0.067 45.159 45.100 -0.012 0.000 0.632 196 G HN 0.655 nan 8.290 nan 0.000 0.529 197 I N 1.407 121.966 120.570 -0.019 0.000 2.304 197 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 197 I C 1.039 177.138 176.117 -0.030 0.000 1.018 197 I CA -0.876 60.408 61.300 -0.026 0.000 1.260 197 I CB 1.221 39.202 38.000 -0.031 0.000 1.390 197 I HN 0.109 nan 8.210 nan 0.000 0.475 198 R N 4.987 125.470 120.500 -0.029 0.000 2.538 198 R HA 0.213 4.553 4.340 -0.000 0.000 0.282 198 R C -1.030 175.244 176.300 -0.043 0.000 1.009 198 R CA 0.013 56.095 56.100 -0.030 0.000 1.063 198 R CB 0.571 30.855 30.300 -0.026 0.000 0.945 198 R HN 0.471 nan 8.270 nan 0.000 0.414 199 V N 5.820 125.709 119.914 -0.043 0.000 2.313 199 V HA 0.171 4.291 4.120 -0.000 0.000 0.278 199 V C 0.226 176.289 176.094 -0.051 0.000 1.017 199 V CA -0.320 61.944 62.300 -0.059 0.000 0.823 199 V CB 1.351 33.139 31.823 -0.057 0.000 1.010 199 V HN 0.910 nan 8.190 nan 0.000 0.443 200 E N 3.318 123.482 120.200 -0.060 0.000 2.485 200 E HA 0.164 4.514 4.350 -0.000 0.000 0.213 200 E C 0.015 176.581 176.600 -0.056 0.000 0.923 200 E CA 0.199 56.571 56.400 -0.048 0.000 1.054 200 E CB 0.975 30.652 29.700 -0.038 0.000 1.077 200 E HN 0.918 nan 8.360 nan 0.000 0.509 201 N N -0.293 118.354 118.700 -0.089 0.000 3.020 201 N HA -0.007 4.733 4.740 -0.000 0.000 0.248 201 N C 0.005 175.395 175.510 -0.201 0.000 1.480 201 N CA -0.331 52.657 53.050 -0.105 0.000 0.874 201 N CB 0.516 38.950 38.487 -0.089 0.000 1.433 201 N HN -0.248 nan 8.380 nan 0.000 0.530 202 D N -0.789 119.468 120.400 -0.239 0.000 2.221 202 D HA -0.266 4.374 4.640 -0.000 0.000 0.204 202 D C 1.133 176.993 176.300 -0.732 0.000 0.982 202 D CA 1.588 55.256 54.000 -0.553 0.000 0.857 202 D CB 0.017 40.556 40.800 -0.435 0.000 0.934 202 D HN 0.777 nan 8.370 nan 0.000 0.475 203 E N 0.532 120.495 120.200 -0.396 0.000 2.028 203 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 203 E C 1.271 177.707 176.600 -0.275 0.000 0.988 203 E CA 1.454 57.671 56.400 -0.305 0.000 0.799 203 E CB -0.100 29.501 29.700 -0.164 0.000 0.755 203 E HN 0.130 nan 8.360 nan 0.000 0.447 204 D N 0.754 121.024 120.400 -0.217 0.000 2.149 204 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 204 D C 1.818 177.984 176.300 -0.223 0.000 1.001 204 D CA 1.661 55.557 54.000 -0.173 0.000 0.849 204 D CB -0.436 40.286 40.800 -0.129 0.000 0.939 204 D HN 0.370 nan 8.370 nan 0.000 0.449 205 A N 0.794 123.397 122.820 -0.360 0.000 1.898 205 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 205 A C 2.320 179.670 177.584 -0.389 0.000 1.181 205 A CA 2.092 53.897 52.037 -0.387 0.000 0.620 205 A CB -0.885 17.789 19.000 -0.544 0.000 0.819 205 A HN 0.235 nan 8.150 nan 0.000 0.442 206 A N -0.035 122.450 122.820 -0.558 0.000 1.948 206 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 206 A C 2.114 179.671 177.584 -0.046 0.000 1.177 206 A CA 2.036 53.945 52.037 -0.214 0.000 0.636 206 A CB -0.445 18.453 19.000 -0.170 0.000 0.815 206 A HN 0.580 nan 8.150 nan 0.000 0.449 207 K N -0.568 119.779 120.400 -0.089 0.000 2.062 207 K HA 0.048 4.367 4.320 -0.000 0.000 0.205 207 K C 2.362 178.950 176.600 -0.020 0.000 1.051 207 K CA 0.998 57.264 56.287 -0.036 0.000 0.941 207 K CB -0.299 32.171 32.500 -0.050 0.000 0.719 207 K HN 0.427 nan 8.250 nan 0.000 0.440 208 A N 1.650 124.442 122.820 -0.047 0.000 1.902 208 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 208 A C 2.395 179.964 177.584 -0.024 0.000 1.181 208 A CA 1.807 53.823 52.037 -0.035 0.000 0.623 208 A CB -0.739 18.233 19.000 -0.047 0.000 0.818 208 A HN 0.319 nan 8.150 nan 0.000 0.443 209 A N -0.811 122.006 122.820 -0.004 0.000 1.883 209 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 209 A C 2.210 179.779 177.584 -0.025 0.000 1.186 209 A CA 1.896 53.911 52.037 -0.036 0.000 0.624 209 A CB -0.711 18.370 19.000 0.135 0.000 0.822 209 A HN 0.654 nan 8.150 nan 0.000 0.444 210 Q N -0.258 119.625 119.800 0.139 0.000 2.077 210 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 210 Q C 2.027 178.092 176.000 0.108 0.000 0.989 210 Q CA 2.366 58.284 55.803 0.193 0.000 0.853 210 Q CB -0.299 28.518 28.738 0.132 0.000 0.907 210 Q HN 0.438 nan 8.270 nan 0.000 0.418 211 V N 1.059 120.999 119.914 0.043 0.000 2.332 211 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 211 V C 2.344 178.445 176.094 0.011 0.000 1.055 211 V CA 1.613 63.927 62.300 0.024 0.000 1.038 211 V CB -0.504 31.320 31.823 0.003 0.000 0.651 211 V HN 0.400 nan 8.190 nan 0.000 0.450 212 L N -1.075 120.127 121.223 -0.035 0.000 2.056 212 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 212 L C 2.496 179.343 176.870 -0.037 0.000 1.078 212 L CA 1.734 56.533 54.840 -0.069 0.000 0.749 212 L CB -0.714 41.260 42.059 -0.142 0.000 0.901 212 L HN 0.418 nan 8.230 nan 0.000 0.433 213 H N -0.546 118.546 119.070 0.037 0.000 2.353 213 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 213 H C 2.165 177.508 175.328 0.025 0.000 1.090 213 H CA 1.142 57.211 56.048 0.035 0.000 1.327 213 H CB 0.279 30.067 29.762 0.043 0.000 1.383 213 H HN 0.213 nan 8.280 nan 0.000 0.508 214 E N 0.689 120.979 120.200 0.150 0.000 2.204 214 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 214 E C 1.605 178.238 176.600 0.055 0.000 0.989 214 E CA 0.564 57.015 56.400 0.085 0.000 0.824 214 E CB 0.101 29.838 29.700 0.062 0.000 0.756 214 E HN 0.404 nan 8.360 nan 0.000 0.477 215 K N -0.395 120.031 120.400 0.044 0.000 2.504 215 K HA -0.005 4.315 4.320 -0.000 0.000 0.195 215 K C 1.201 177.815 176.600 0.023 0.000 1.036 215 K CA 0.773 57.073 56.287 0.022 0.000 0.984 215 K CB 0.491 32.996 32.500 0.007 0.000 0.788 215 K HN 0.286 nan 8.250 nan 0.000 0.488 216 G N 1.040 109.867 108.800 0.046 0.000 2.205 216 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.180 216 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.180 216 G C 0.064 175.002 174.900 0.063 0.000 1.004 216 G CA -0.540 44.587 45.100 0.045 0.000 0.670 216 G HN 0.202 nan 8.290 nan 0.000 0.496 217 I N 1.704 122.321 120.570 0.078 0.000 2.291 217 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 217 I C 1.687 177.925 176.117 0.202 0.000 1.050 217 I CA -0.654 60.696 61.300 0.083 0.000 1.245 217 I CB 1.216 39.226 38.000 0.016 0.000 1.405 217 I HN 0.155 nan 8.210 nan 0.000 0.478 218 R N 3.412 124.015 120.500 0.171 0.000 2.081 218 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 218 R C 0.185 176.638 176.300 0.256 0.000 1.131 218 R CA 1.166 57.381 56.100 0.191 0.000 0.960 218 R CB 0.235 30.589 30.300 0.090 0.000 0.856 218 R HN 0.526 nan 8.270 nan 0.000 0.436 219 T N 1.001 115.656 114.554 0.169 0.000 2.791 219 T HA 0.407 4.757 4.350 -0.000 0.000 0.288 219 T C -1.246 173.507 174.700 0.089 0.000 0.999 219 T CA -0.509 61.677 62.100 0.143 0.000 0.952 219 T CB 2.029 70.941 68.868 0.074 0.000 0.938 219 T HN -0.158 nan 8.240 nan 0.000 0.444 220 V N 5.703 125.670 119.914 0.088 0.000 2.444 220 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 220 V C -0.521 175.610 176.094 0.063 0.000 1.022 220 V CA -0.777 61.517 62.300 -0.010 0.000 0.850 220 V CB 1.562 33.247 31.823 -0.230 0.000 0.992 220 V HN 0.745 nan 8.190 nan 0.000 0.426 221 L N 6.434 127.702 121.223 0.074 0.000 2.353 221 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 221 L C -0.610 176.319 176.870 0.098 0.000 1.003 221 L CA -0.269 54.635 54.840 0.106 0.000 0.862 221 L CB 1.561 43.707 42.059 0.146 0.000 1.221 221 L HN 0.504 nan 8.230 nan 0.000 0.430 222 I N 2.771 123.417 120.570 0.127 0.000 2.301 222 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 222 I C 0.917 177.067 176.117 0.056 0.000 1.046 222 I CA -0.292 61.059 61.300 0.085 0.000 1.282 222 I CB 1.543 39.606 38.000 0.106 0.000 1.409 222 I HN 0.554 nan 8.210 nan 0.000 0.484 223 T N 4.774 119.310 114.554 -0.031 0.000 2.901 223 T HA 0.402 4.751 4.350 -0.000 0.000 0.301 223 T C 0.119 174.793 174.700 -0.043 0.000 1.012 223 T CA -0.479 61.556 62.100 -0.108 0.000 1.135 223 T CB 0.868 69.585 68.868 -0.251 0.000 0.936 223 T HN 0.461 nan 8.240 nan 0.000 0.539 224 L N 3.126 124.335 121.223 -0.023 0.000 3.100 224 L HA 0.437 4.777 4.340 -0.000 0.000 0.259 224 L C 1.739 178.600 176.870 -0.015 0.000 1.316 224 L CA -0.603 54.236 54.840 -0.001 0.000 0.992 224 L CB -0.622 41.458 42.059 0.036 0.000 1.390 224 L HN 1.161 nan 8.230 nan 0.000 0.550 225 G N 0.653 109.433 108.800 -0.033 0.000 2.699 225 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.347 225 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.347 225 G C 1.222 176.106 174.900 -0.026 0.000 1.225 225 G CA 1.012 46.096 45.100 -0.027 0.000 0.973 225 G HN 0.351 nan 8.290 nan 0.000 0.551 226 S N 0.409 116.097 115.700 -0.019 0.000 2.406 226 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 226 S C 2.293 176.869 174.600 -0.041 0.000 1.020 226 S CA 1.476 59.660 58.200 -0.026 0.000 0.965 226 S CB -0.181 63.012 63.200 -0.012 0.000 0.798 226 S HN 0.510 nan 8.310 nan 0.000 0.488 227 R N 0.565 121.052 120.500 -0.023 0.000 2.316 227 R HA 0.144 4.484 4.340 -0.000 0.000 0.202 227 R C 1.512 177.804 176.300 -0.013 0.000 1.029 227 R CA 0.534 56.626 56.100 -0.013 0.000 1.018 227 R CB -0.152 30.156 30.300 0.012 0.000 0.888 227 R HN 0.456 nan 8.270 nan 0.000 0.471 228 G N 0.306 109.089 108.800 -0.029 0.000 2.709 228 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.228 228 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.228 228 G C -0.847 174.137 174.900 0.140 0.000 1.215 228 G CA -0.284 44.826 45.100 0.017 0.000 1.003 228 G HN 0.238 nan 8.290 nan 0.000 0.584 229 V N 0.771 120.797 119.914 0.187 0.000 3.012 229 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 229 V C -1.485 174.730 176.094 0.201 0.000 1.166 229 V CA -0.473 61.907 62.300 0.133 0.000 0.974 229 V CB 1.990 33.845 31.823 0.053 0.000 1.040 229 V HN 1.302 nan 8.190 nan 0.000 0.428 230 W N 6.894 128.207 121.300 0.021 0.000 2.308 230 W HA 0.736 5.395 4.660 -0.000 0.000 0.311 230 W C -0.277 176.270 176.519 0.046 0.000 1.088 230 W CA -0.311 57.053 57.345 0.032 0.000 1.309 230 W CB 1.347 30.819 29.460 0.020 0.000 1.229 230 W HN 0.909 nan 8.180 nan 0.000 0.427 231 A N 4.546 127.099 122.820 -0.446 0.000 2.260 231 A HA 0.500 4.820 4.320 -0.000 0.000 0.308 231 A C -0.709 176.647 177.584 -0.379 0.000 1.254 231 A CA -0.281 51.588 52.037 -0.280 0.000 0.874 231 A CB 1.272 20.165 19.000 -0.177 0.000 1.153 231 A HN 0.427 nan 8.150 nan 0.000 0.527 232 S N 1.692 117.355 115.700 -0.061 0.000 2.561 232 S HA 0.603 5.073 4.470 -0.000 0.000 0.303 232 S C -1.053 173.686 174.600 0.232 0.000 1.110 232 S CA -0.383 57.885 58.200 0.114 0.000 1.034 232 S CB 1.053 64.509 63.200 0.426 0.000 1.010 232 S HN 0.713 nan 8.310 nan 0.000 0.482 233 V N 5.593 125.552 119.914 0.076 0.000 2.378 233 V HA 0.414 4.534 4.120 -0.000 0.000 0.288 233 V C 0.141 176.122 176.094 -0.187 0.000 1.016 233 V CA -0.849 61.462 62.300 0.019 0.000 0.840 233 V CB 0.880 32.699 31.823 -0.008 0.000 0.994 233 V HN 1.111 nan 8.190 nan 0.000 0.431 234 N N 4.117 122.572 118.700 -0.409 0.000 2.708 234 N HA -0.252 4.488 4.740 -0.000 0.000 0.251 234 N C 1.141 176.363 175.510 -0.479 0.000 1.017 234 N CA 0.963 53.721 53.050 -0.486 0.000 0.742 234 N CB -0.711 37.667 38.487 -0.181 0.000 0.943 234 N HN 1.367 nan 8.380 nan 0.000 0.539 235 G N -1.103 107.279 108.800 -0.698 0.000 2.234 235 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.235 235 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.235 235 G C -0.084 174.812 174.900 -0.006 0.000 0.997 235 G CA 0.157 45.136 45.100 -0.201 0.000 0.623 235 G HN 0.418 nan 8.290 nan 0.000 0.514 236 E N 1.777 121.950 120.200 -0.044 0.000 1.932 236 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 236 E C 0.965 177.563 176.600 -0.004 0.000 1.159 236 E CA 0.834 57.233 56.400 -0.002 0.000 0.905 236 E CB 0.143 29.821 29.700 -0.038 0.000 1.059 236 E HN 0.590 nan 8.360 nan 0.000 0.400 237 G N 2.738 111.584 108.800 0.076 0.000 2.528 237 G HA2 0.458 4.418 3.960 -0.000 0.000 0.289 237 G HA3 0.458 4.418 3.960 -0.000 0.000 0.289 237 G C -0.799 173.752 174.900 -0.582 0.000 1.192 237 G CA -0.311 44.688 45.100 -0.169 0.000 0.921 237 G HN 0.447 nan 8.290 nan 0.000 0.512 238 Q N -1.027 117.923 119.800 -1.417 0.000 2.503 238 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 238 Q C -1.228 174.153 176.000 -1.032 0.000 0.982 238 Q CA -0.839 54.409 55.803 -0.926 0.000 0.907 238 Q CB 2.156 30.636 28.738 -0.430 0.000 1.467 238 Q HN 0.668 nan 8.270 nan 0.000 0.394 239 R N 1.575 121.804 120.500 -0.452 0.000 2.368 239 R HA 0.642 4.982 4.340 -0.000 0.000 0.302 239 R C -1.637 174.638 176.300 -0.043 0.000 1.002 239 R CA -0.134 55.922 56.100 -0.074 0.000 0.929 239 R CB 1.469 31.896 30.300 0.212 0.000 1.073 239 R HN 0.278 nan 8.270 nan 0.000 0.464 240 V N 7.249 127.178 119.914 0.026 0.000 2.419 240 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 240 V C -2.281 173.893 176.094 0.135 0.000 1.017 240 V CA -2.033 60.309 62.300 0.070 0.000 0.844 240 V CB 1.555 33.430 31.823 0.086 0.000 1.011 240 V HN 0.865 nan 8.190 nan 0.000 0.429 241 P HA 0.213 nan 4.420 nan 0.000 0.269 241 P C 0.548 177.552 177.300 -0.494 0.000 1.209 241 P CA 0.476 63.483 63.100 -0.155 0.000 0.776 241 P CB 0.788 32.403 31.700 -0.142 0.000 0.876 242 G N 1.159 109.481 108.800 -0.796 0.000 2.508 242 G HA2 0.430 4.390 3.960 -0.000 0.000 0.278 242 G HA3 0.430 4.390 3.960 -0.000 0.000 0.278 242 G C -0.859 173.673 174.900 -0.613 0.000 1.389 242 G CA -0.490 43.935 45.100 -1.124 0.000 1.050 242 G HN 0.309 nan 8.290 nan 0.000 0.522 243 F N -0.545 119.342 119.950 -0.104 0.000 2.403 243 F HA 0.519 5.046 4.527 -0.000 0.000 0.326 243 F C 0.992 176.809 175.800 0.027 0.000 1.081 243 F CA -0.674 57.357 58.000 0.051 0.000 1.041 243 F CB 1.251 40.414 39.000 0.272 0.000 1.234 243 F HN -0.060 nan 8.300 nan 0.000 0.503 244 R N 1.561 122.198 120.500 0.228 0.000 2.312 244 R HA 0.717 5.057 4.340 -0.000 0.000 0.311 244 R C -1.025 175.366 176.300 0.151 0.000 1.004 244 R CA -0.545 55.633 56.100 0.130 0.000 0.902 244 R CB 1.494 31.841 30.300 0.079 0.000 1.073 244 R HN 0.609 nan 8.270 nan 0.000 0.457 245 V N -0.886 119.094 119.914 0.110 0.000 3.242 245 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 245 V C -0.737 175.392 176.094 0.059 0.000 1.352 245 V CA -1.270 61.089 62.300 0.098 0.000 1.052 245 V CB 2.089 33.983 31.823 0.119 0.000 1.101 245 V HN 0.675 nan 8.190 nan 0.000 0.446 246 Q N 1.347 121.175 119.800 0.046 0.000 2.307 246 Q HA 0.659 4.999 4.340 -0.000 0.000 0.259 246 Q C 0.151 176.164 176.000 0.022 0.000 0.998 246 Q CA -0.058 55.761 55.803 0.028 0.000 0.923 246 Q CB 1.228 29.978 28.738 0.020 0.000 1.196 246 Q HN 1.285 nan 8.270 nan 0.000 0.416 247 A N 3.724 126.555 122.820 0.017 0.000 2.409 247 A HA 0.267 4.587 4.320 -0.000 0.000 0.267 247 A C 0.654 178.240 177.584 0.003 0.000 1.127 247 A CA -0.234 51.810 52.037 0.012 0.000 0.795 247 A CB 0.644 19.651 19.000 0.013 0.000 1.061 247 A HN 0.826 nan 8.150 nan 0.000 0.502 248 V N -0.077 119.835 119.914 -0.002 0.000 2.908 248 V HA 0.292 4.412 4.120 -0.000 0.000 0.240 248 V C 0.168 176.258 176.094 -0.008 0.000 1.117 248 V CA 1.328 63.620 62.300 -0.012 0.000 1.133 248 V CB 0.264 32.072 31.823 -0.025 0.000 0.857 248 V HN 0.756 nan 8.190 nan 0.000 0.478 249 D N 0.345 120.744 120.400 -0.002 0.000 2.890 249 D HA 0.301 4.941 4.640 -0.000 0.000 0.233 249 D C 0.236 176.544 176.300 0.014 0.000 1.306 249 D CA 0.568 54.573 54.000 0.008 0.000 0.929 249 D CB 1.985 42.785 40.800 0.000 0.000 1.512 249 D HN 0.398 nan 8.370 nan 0.000 0.568 250 T N 1.247 115.816 114.554 0.025 0.000 3.186 250 T HA 0.235 4.585 4.350 -0.000 0.000 0.257 250 T C 1.108 175.826 174.700 0.030 0.000 1.029 250 T CA -0.399 61.716 62.100 0.025 0.000 0.916 250 T CB -0.253 68.632 68.868 0.028 0.000 1.041 250 T HN 0.291 nan 8.240 nan 0.000 0.562 251 I N 2.038 122.628 120.570 0.033 0.000 2.752 251 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 251 I C 1.566 177.696 176.117 0.023 0.000 1.197 251 I CA 0.977 62.297 61.300 0.034 0.000 1.432 251 I CB -0.657 37.365 38.000 0.037 0.000 1.359 251 I HN 0.600 nan 8.210 nan 0.000 0.571 252 A N 4.549 127.383 122.820 0.023 0.000 3.021 252 A HA -0.236 4.084 4.320 -0.000 0.000 0.257 252 A C 1.844 179.440 177.584 0.020 0.000 1.277 252 A CA 1.194 53.241 52.037 0.016 0.000 1.012 252 A CB -1.884 17.119 19.000 0.005 0.000 1.147 252 A HN 1.070 nan 8.150 nan 0.000 0.861 253 A N -0.432 122.404 122.820 0.026 0.000 1.858 253 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 253 A C 2.742 180.369 177.584 0.071 0.000 1.190 253 A CA 2.195 54.255 52.037 0.038 0.000 0.617 253 A CB -1.385 17.632 19.000 0.029 0.000 0.827 253 A HN 2.000 nan 8.150 nan 0.000 0.443 254 G N -0.290 108.544 108.800 0.056 0.000 2.442 254 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 254 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 254 G C 1.146 176.127 174.900 0.135 0.000 1.141 254 G CA 1.289 46.444 45.100 0.090 0.000 0.763 254 G HN 0.484 nan 8.290 nan 0.000 0.554 255 D N 0.213 120.656 120.400 0.070 0.000 2.117 255 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 255 D C 2.707 179.024 176.300 0.029 0.000 0.987 255 D CA 1.465 55.487 54.000 0.038 0.000 0.829 255 D CB -0.595 40.208 40.800 0.006 0.000 0.961 255 D HN 0.209 nan 8.370 nan 0.000 0.460 256 T N 0.833 115.406 114.554 0.031 0.000 2.708 256 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 256 T C 1.715 176.437 174.700 0.036 0.000 1.037 256 T CA 0.729 62.828 62.100 -0.001 0.000 1.146 256 T CB -0.538 68.323 68.868 -0.012 0.000 0.865 256 T HN 0.093 nan 8.240 nan 0.000 0.435 257 F N 2.832 122.759 119.950 -0.039 0.000 2.065 257 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 257 F C 2.245 178.030 175.800 -0.024 0.000 1.112 257 F CA 1.477 59.459 58.000 -0.029 0.000 1.212 257 F CB -0.529 38.461 39.000 -0.018 0.000 0.975 257 F HN 0.124 nan 8.300 nan 0.000 0.476 258 N N 0.250 119.002 118.700 0.087 0.000 2.069 258 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 258 N C 2.084 177.531 175.510 -0.104 0.000 1.031 258 N CA 1.478 54.513 53.050 -0.024 0.000 0.852 258 N CB -0.933 37.589 38.487 0.059 0.000 1.018 258 N HN 0.489 nan 8.380 nan 0.000 0.423 259 G N 0.630 109.383 108.800 -0.078 0.000 2.418 259 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 259 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 259 G C 1.568 176.423 174.900 -0.074 0.000 1.158 259 G CA 1.000 46.048 45.100 -0.088 0.000 0.771 259 G HN 0.422 nan 8.290 nan 0.000 0.545 260 A N -0.027 122.750 122.820 -0.072 0.000 2.021 260 A HA 0.312 4.632 4.320 -0.000 0.000 0.216 260 A C 2.232 179.843 177.584 0.045 0.000 1.163 260 A CA 1.202 53.279 52.037 0.067 0.000 0.676 260 A CB -0.241 18.773 19.000 0.024 0.000 0.818 260 A HN 0.392 nan 8.150 nan 0.000 0.453 261 L N 0.146 121.246 121.223 -0.205 0.000 1.970 261 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 261 L C 1.959 178.732 176.870 -0.162 0.000 1.071 261 L CA 1.958 56.627 54.840 -0.285 0.000 0.751 261 L CB -0.495 41.226 42.059 -0.564 0.000 0.889 261 L HN 0.290 nan 8.230 nan 0.000 0.432 262 I N -0.340 120.152 120.570 -0.130 0.000 2.361 262 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 262 I C 2.411 178.473 176.117 -0.092 0.000 1.133 262 I CA 1.447 62.691 61.300 -0.093 0.000 1.413 262 I CB -2.099 35.860 38.000 -0.068 0.000 1.073 262 I HN 0.321 nan 8.210 nan 0.000 0.424 263 T N 1.297 115.801 114.554 -0.083 0.000 2.674 263 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 263 T C 2.046 176.630 174.700 -0.193 0.000 1.039 263 T CA 1.746 63.788 62.100 -0.098 0.000 1.150 263 T CB -0.326 68.523 68.868 -0.031 0.000 0.864 263 T HN 0.450 nan 8.240 nan 0.000 0.427 264 A N 0.935 123.583 122.820 -0.286 0.000 1.972 264 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 264 A C 2.276 179.725 177.584 -0.227 0.000 1.169 264 A CA 1.099 52.891 52.037 -0.409 0.000 0.635 264 A CB -0.767 17.922 19.000 -0.517 0.000 0.810 264 A HN 0.485 nan 8.150 nan 0.000 0.446 265 L N -0.700 120.429 121.223 -0.157 0.000 2.093 265 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 265 L C 2.283 179.096 176.870 -0.095 0.000 1.085 265 L CA 0.733 55.507 54.840 -0.109 0.000 0.755 265 L CB -0.460 41.548 42.059 -0.085 0.000 0.904 265 L HN 0.337 nan 8.230 nan 0.000 0.435 266 L N -0.423 120.743 121.223 -0.096 0.000 2.362 266 L HA -0.149 4.191 4.340 -0.000 0.000 0.219 266 L C 1.905 178.723 176.870 -0.086 0.000 1.134 266 L CA 0.920 55.714 54.840 -0.078 0.000 0.807 266 L CB -0.365 41.654 42.059 -0.067 0.000 0.927 266 L HN 0.327 nan 8.230 nan 0.000 0.447 267 E N -0.021 120.107 120.200 -0.121 0.000 2.489 267 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 267 E C 0.395 176.936 176.600 -0.098 0.000 1.057 267 E CA -0.051 56.278 56.400 -0.119 0.000 0.866 267 E CB 0.252 29.848 29.700 -0.173 0.000 0.916 267 E HN 0.301 nan 8.360 nan 0.000 0.500 268 E N 0.551 120.698 120.200 -0.088 0.000 3.763 268 E HA -0.200 4.150 4.350 -0.000 0.000 0.319 268 E C -0.773 175.785 176.600 -0.071 0.000 0.804 268 E CA 0.302 56.661 56.400 -0.068 0.000 1.196 268 E CB -0.700 28.969 29.700 -0.052 0.000 1.607 268 E HN 0.119 nan 8.360 nan 0.000 0.431 269 K N 1.541 121.883 120.400 -0.096 0.000 2.401 269 K HA 0.151 4.470 4.320 -0.000 0.000 0.278 269 K C -2.194 174.367 176.600 -0.065 0.000 1.018 269 K CA -0.927 55.308 56.287 -0.086 0.000 0.981 269 K CB 0.405 32.830 32.500 -0.124 0.000 0.933 269 K HN 0.035 nan 8.250 nan 0.000 0.477 270 P HA -0.082 nan 4.420 nan 0.000 0.270 270 P C 0.591 177.871 177.300 -0.034 0.000 1.223 270 P CA -0.368 62.711 63.100 -0.034 0.000 0.785 270 P CB 0.530 32.216 31.700 -0.023 0.000 0.923 271 L N 3.554 124.757 121.223 -0.033 0.000 1.990 271 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 271 L C -0.891 175.964 176.870 -0.024 0.000 1.072 271 L CA 2.765 57.585 54.840 -0.034 0.000 0.755 271 L CB -2.509 39.531 42.059 -0.032 0.000 0.889 271 L HN 0.339 nan 8.230 nan 0.000 0.432 272 P HA -0.234 nan 4.420 nan 0.000 0.214 272 P C 1.521 178.839 177.300 0.030 0.000 1.163 272 P CA 1.914 65.013 63.100 -0.001 0.000 0.889 272 P CB -0.033 31.664 31.700 -0.005 0.000 0.790 273 E N -0.521 119.697 120.200 0.030 0.000 2.072 273 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 273 E C 1.964 178.610 176.600 0.076 0.000 0.985 273 E CA 1.082 57.521 56.400 0.064 0.000 0.801 273 E CB -0.599 29.126 29.700 0.042 0.000 0.750 273 E HN 0.016 nan 8.360 nan 0.000 0.452 274 A N 1.191 124.015 122.820 0.007 0.000 1.917 274 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 274 A C 2.166 179.752 177.584 0.003 0.000 1.182 274 A CA 1.637 53.658 52.037 -0.027 0.000 0.633 274 A CB -0.698 18.254 19.000 -0.081 0.000 0.819 274 A HN 0.387 nan 8.150 nan 0.000 0.448 275 I N -1.761 118.801 120.570 -0.014 0.000 2.439 275 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 275 I C 2.635 178.770 176.117 0.031 0.000 1.139 275 I CA 1.097 62.361 61.300 -0.061 0.000 1.438 275 I CB -0.120 37.875 38.000 -0.009 0.000 1.085 275 I HN 0.204 nan 8.210 nan 0.000 0.427 276 R N 0.636 121.232 120.500 0.159 0.000 2.075 276 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 276 R C 2.122 178.672 176.300 0.417 0.000 1.126 276 R CA 1.514 57.798 56.100 0.307 0.000 0.963 276 R CB -0.734 29.730 30.300 0.272 0.000 0.858 276 R HN 0.280 nan 8.270 nan 0.000 0.435 277 F N 0.373 120.410 119.950 0.145 0.000 2.134 277 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 277 F C 1.960 177.786 175.800 0.043 0.000 1.097 277 F CA 1.662 59.720 58.000 0.096 0.000 1.264 277 F CB -0.463 38.546 39.000 0.016 0.000 1.001 277 F HN 0.101 nan 8.300 nan 0.000 0.479 278 A N -0.461 122.426 122.820 0.112 0.000 1.902 278 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 278 A C 2.097 179.759 177.584 0.130 0.000 1.181 278 A CA 1.844 53.809 52.037 -0.120 0.000 0.623 278 A CB -1.261 17.312 19.000 -0.712 0.000 0.818 278 A HN 0.559 nan 8.150 nan 0.000 0.443 279 H N -0.158 119.096 119.070 0.307 0.000 2.352 279 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 279 H C 2.529 178.018 175.328 0.268 0.000 1.097 279 H CA 1.425 57.692 56.048 0.365 0.000 1.311 279 H CB -0.594 29.356 29.762 0.313 0.000 1.377 279 H HN 0.498 nan 8.280 nan 0.000 0.504 280 A N 0.744 123.756 122.820 0.320 0.000 1.898 280 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 280 A C 2.712 179.985 177.584 -0.517 0.000 1.181 280 A CA 1.752 53.620 52.037 -0.282 0.000 0.620 280 A CB -0.864 17.931 19.000 -0.342 0.000 0.819 280 A HN 0.448 nan 8.150 nan 0.000 0.442 281 A N 0.007 122.604 122.820 -0.372 0.000 1.883 281 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 281 A C 2.512 179.978 177.584 -0.198 0.000 1.186 281 A CA 2.266 54.100 52.037 -0.338 0.000 0.624 281 A CB -1.092 17.715 19.000 -0.321 0.000 0.822 281 A HN 1.106 nan 8.150 nan 0.000 0.444 282 A N -0.477 122.313 122.820 -0.050 0.000 1.969 282 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 282 A C 2.432 180.003 177.584 -0.022 0.000 1.169 282 A CA 1.918 53.967 52.037 0.021 0.000 0.635 282 A CB -0.820 18.279 19.000 0.166 0.000 0.810 282 A HN 1.002 nan 8.150 nan 0.000 0.445 283 A N 0.224 123.006 122.820 -0.064 0.000 1.872 283 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 283 A C 2.069 179.568 177.584 -0.141 0.000 1.187 283 A CA 1.334 53.332 52.037 -0.065 0.000 0.614 283 A CB -0.592 18.389 19.000 -0.032 0.000 0.826 283 A HN 0.479 nan 8.150 nan 0.000 0.442 284 I N 0.072 120.461 120.570 -0.301 0.000 2.194 284 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 284 I C 2.922 178.977 176.117 -0.104 0.000 1.093 284 I CA 1.270 62.446 61.300 -0.206 0.000 1.355 284 I CB -0.441 37.397 38.000 -0.270 0.000 1.046 284 I HN 0.360 nan 8.210 nan 0.000 0.413 285 A N 0.707 123.468 122.820 -0.098 0.000 1.972 285 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 285 A C 2.305 179.871 177.584 -0.030 0.000 1.169 285 A CA 1.829 53.831 52.037 -0.058 0.000 0.635 285 A CB -0.933 18.036 19.000 -0.050 0.000 0.810 285 A HN 0.425 nan 8.150 nan 0.000 0.446 286 V N -2.143 117.757 119.914 -0.022 0.000 3.380 286 V HA -0.039 4.081 4.120 -0.000 0.000 0.268 286 V C 1.830 177.922 176.094 -0.004 0.000 1.168 286 V CA 1.901 64.199 62.300 -0.004 0.000 1.156 286 V CB -1.512 30.316 31.823 0.008 0.000 0.785 286 V HN 0.641 nan 8.190 nan 0.000 0.487 287 T N -1.749 112.799 114.554 -0.009 0.000 3.107 287 T HA 0.327 4.677 4.350 -0.000 0.000 0.249 287 T C 0.662 175.357 174.700 -0.009 0.000 1.096 287 T CA -0.237 61.861 62.100 -0.003 0.000 1.012 287 T CB -0.156 68.716 68.868 0.007 0.000 0.977 287 T HN 0.624 nan 8.240 nan 0.000 0.527 288 R N 0.652 121.144 120.500 -0.013 0.000 2.807 288 R HA 0.610 4.950 4.340 -0.000 0.000 0.276 288 R C -0.641 175.649 176.300 -0.018 0.000 0.979 288 R CA -1.032 55.060 56.100 -0.014 0.000 0.928 288 R CB 1.817 32.113 30.300 -0.008 0.000 1.191 288 R HN 0.158 nan 8.270 nan 0.000 0.471 289 K N 0.883 121.269 120.400 -0.024 0.000 2.098 289 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 289 K C 0.417 177.010 176.600 -0.012 0.000 0.999 289 K CA -0.166 56.105 56.287 -0.027 0.000 0.924 289 K CB 1.048 33.516 32.500 -0.055 0.000 1.028 289 K HN 0.796 nan 8.250 nan 0.000 0.466 290 G N -0.070 108.728 108.800 -0.004 0.000 2.782 290 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.228 290 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.228 290 G C 0.237 175.137 174.900 0.001 0.000 1.372 290 G CA -0.158 44.939 45.100 -0.005 0.000 0.862 290 G HN 0.681 nan 8.290 nan 0.000 0.547 291 A N -1.509 121.314 122.820 0.005 0.000 2.179 291 A HA 0.399 4.719 4.320 -0.000 0.000 0.224 291 A C 2.175 179.760 177.584 0.002 0.000 1.759 291 A CA 1.688 53.730 52.037 0.008 0.000 0.688 291 A CB -0.610 18.402 19.000 0.020 0.000 1.342 291 A HN 0.842 nan 8.150 nan 0.000 0.543 292 Q N -0.150 119.664 119.800 0.023 0.000 2.181 292 Q HA -0.101 4.239 4.340 -0.000 0.000 0.205 292 Q C -0.819 175.182 176.000 0.002 0.000 0.980 292 Q CA 1.983 57.791 55.803 0.010 0.000 0.862 292 Q CB -0.905 27.870 28.738 0.062 0.000 0.905 292 Q HN 0.508 nan 8.270 nan 0.000 0.429 293 P HA -0.116 nan 4.420 nan 0.000 0.223 293 P C 0.968 178.275 177.300 0.012 0.000 1.151 293 P CA 1.405 64.521 63.100 0.027 0.000 0.787 293 P CB 0.008 31.717 31.700 0.015 0.000 0.788 294 S N -1.774 113.921 115.700 -0.007 0.000 2.603 294 S HA 0.055 4.525 4.470 -0.000 0.000 0.220 294 S C 0.661 175.235 174.600 -0.044 0.000 0.967 294 S CA -0.195 57.995 58.200 -0.017 0.000 0.920 294 S CB -0.993 62.197 63.200 -0.017 0.000 0.773 294 S HN -0.156 nan 8.310 nan 0.000 0.529 295 V N 4.408 124.277 119.914 -0.075 0.000 2.461 295 V HA 0.404 4.524 4.120 -0.000 0.000 0.275 295 V C -2.093 173.895 176.094 -0.176 0.000 1.047 295 V CA -1.847 60.369 62.300 -0.139 0.000 0.955 295 V CB 0.868 32.576 31.823 -0.192 0.000 0.988 295 V HN 0.336 nan 8.190 nan 0.000 0.471 296 P HA 0.285 nan 4.420 nan 0.000 0.279 296 P C -1.087 176.120 177.300 -0.154 0.000 1.252 296 P CA -0.702 62.340 63.100 -0.096 0.000 0.811 296 P CB 0.720 32.350 31.700 -0.117 0.000 1.035 297 W N 0.704 121.974 121.300 -0.050 0.000 2.359 297 W HA 0.384 5.044 4.660 -0.000 0.000 0.344 297 W C 1.950 178.455 176.519 -0.025 0.000 1.170 297 W CA -0.281 57.048 57.345 -0.027 0.000 1.296 297 W CB 0.421 29.873 29.460 -0.012 0.000 1.197 297 W HN 0.351 nan 8.180 nan 0.000 0.618 298 R N 1.116 121.767 120.500 0.251 0.000 2.117 298 R HA -0.224 4.116 4.340 -0.000 0.000 0.243 298 R C 1.593 177.988 176.300 0.157 0.000 1.143 298 R CA 2.174 58.386 56.100 0.187 0.000 0.968 298 R CB -0.436 29.994 30.300 0.217 0.000 0.863 298 R HN 0.611 nan 8.270 nan 0.000 0.444 299 E N 0.166 120.466 120.200 0.167 0.000 2.070 299 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 299 E C 1.746 178.400 176.600 0.090 0.000 1.004 299 E CA 2.183 58.649 56.400 0.109 0.000 0.805 299 E CB -0.037 29.708 29.700 0.076 0.000 0.744 299 E HN 0.585 nan 8.360 nan 0.000 0.451 300 E N -0.323 119.935 120.200 0.098 0.000 2.208 300 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 300 E C 2.055 178.674 176.600 0.031 0.000 0.988 300 E CA 0.764 57.204 56.400 0.067 0.000 0.828 300 E CB -0.028 29.714 29.700 0.070 0.000 0.763 300 E HN 0.323 nan 8.360 nan 0.000 0.478 301 I N 1.722 122.279 120.570 -0.022 0.000 2.193 301 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 301 I C 1.825 177.946 176.117 0.008 0.000 1.084 301 I CA 1.033 62.251 61.300 -0.136 0.000 1.365 301 I CB -0.187 37.587 38.000 -0.376 0.000 1.064 301 I HN -0.056 nan 8.210 nan 0.000 0.410 302 D N 1.375 121.824 120.400 0.083 0.000 2.106 302 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 302 D C 2.283 178.643 176.300 0.101 0.000 0.997 302 D CA 1.861 55.937 54.000 0.127 0.000 0.834 302 D CB -0.454 40.423 40.800 0.129 0.000 0.956 302 D HN 0.360 nan 8.370 nan 0.000 0.448 303 A N 0.394 123.265 122.820 0.084 0.000 1.917 303 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 303 A C 2.123 179.747 177.584 0.068 0.000 1.182 303 A CA 1.510 53.585 52.037 0.063 0.000 0.633 303 A CB -0.998 18.035 19.000 0.054 0.000 0.819 303 A HN 0.318 nan 8.150 nan 0.000 0.448 304 F N 0.017 119.916 119.950 -0.086 0.000 2.259 304 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 304 F C 1.742 177.430 175.800 -0.187 0.000 1.088 304 F CA 1.093 59.004 58.000 -0.147 0.000 1.358 304 F CB -0.264 38.617 39.000 -0.198 0.000 1.040 304 F HN 0.132 nan 8.300 nan 0.000 0.505 305 L N 0.122 121.464 121.223 0.198 0.000 2.023 305 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 305 L C 2.024 178.886 176.870 -0.014 0.000 1.073 305 L CA 1.497 56.400 54.840 0.105 0.000 0.745 305 L CB -0.724 41.452 42.059 0.194 0.000 0.900 305 L HN 0.014 nan 8.230 nan 0.000 0.435 306 D N -0.526 119.883 120.400 0.015 0.000 2.351 306 D HA -0.141 4.498 4.640 -0.000 0.000 0.216 306 D C 2.149 178.412 176.300 -0.061 0.000 0.968 306 D CA 0.699 54.697 54.000 -0.003 0.000 0.899 306 D CB -0.030 40.779 40.800 0.015 0.000 0.907 306 D HN 0.283 nan 8.370 nan 0.000 0.514 307 R N -0.350 120.065 120.500 -0.141 0.000 2.060 307 R HA 0.018 4.358 4.340 -0.000 0.000 0.225 307 R C 1.091 177.292 176.300 -0.164 0.000 1.155 307 R CA 0.880 56.885 56.100 -0.158 0.000 0.930 307 R CB 0.233 30.397 30.300 -0.227 0.000 0.829 307 R HN 0.093 nan 8.270 nan 0.000 0.433 308 Q N 0.000 119.638 119.800 -0.269 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.693 55.803 -0.184 0.000 1.022 308 Q CB 0.000 28.610 28.738 -0.213 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481