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 3fpc_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKGFAMLSIG KVGWIEKEKP APGPFDAIVR PLAVAPCTSD IHTVFEGAIG DATA SEQUENCE ERHNMILGHE AVGEVVEVGS EVKDFKPGDR VVVPAITPDW RTSEVQRGYH DATA SEQUENCE QHSGGMLAGW KFSNVKDGVF GEFFHVNDAD MNLAHLPKEI PLEAAVMIPD DATA SEQUENCE MMTTGFHGAE LANIKLGDTV CVIGIGPVGL MSVAGANHLG AGRIFAVGSR DATA SEQUENCE KHCCDIALEY GATDIINYKN GDIVEQILKA TDGKGVDKVV IAGGDVHTFA DATA SEQUENCE QAVKMIKPGS DIGNVNYLGE GDNIDIPRSE WGVGMGHKHI HGGLCPGGRL DATA SEQUENCE RMERLIDLVF YKRVDPSKLV THVFRGFDNI EKAFMLMKDK PKDLIKPVVI DATA SEQUENCE LA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.359 176.300 0.099 0.000 1.140 1 M CA 0.000 55.371 55.300 0.119 0.000 0.988 1 M CB 0.000 32.738 32.600 0.230 0.000 1.302 2 K N 0.536 120.972 120.400 0.060 0.000 2.174 2 K HA 0.823 5.143 4.320 0.001 0.000 0.275 2 K C -0.452 176.309 176.600 0.270 0.000 1.015 2 K CA 0.024 56.393 56.287 0.137 0.000 0.933 2 K CB 1.685 34.181 32.500 -0.005 0.000 1.025 2 K HN 0.848 nan 8.250 nan 0.000 0.463 3 G N 2.093 111.128 108.800 0.391 0.000 2.696 3 G HA2 0.397 4.358 3.960 0.001 0.000 0.295 3 G HA3 0.397 4.358 3.960 0.001 0.000 0.295 3 G C -2.054 172.915 174.900 0.114 0.000 1.398 3 G CA -0.675 44.621 45.100 0.326 0.000 0.920 3 G HN 0.475 nan 8.290 nan 0.000 0.492 4 F N 2.049 121.733 119.950 -0.444 0.000 2.391 4 F HA 0.731 5.258 4.527 0.001 0.000 0.359 4 F C 0.288 175.851 175.800 -0.396 0.000 1.122 4 F CA -0.641 56.829 58.000 -0.884 0.000 1.120 4 F CB 1.111 39.334 39.000 -1.295 0.000 1.142 4 F HN 0.665 nan 8.300 nan 0.000 0.483 5 A N 6.855 129.141 122.820 -0.891 0.000 2.469 5 A HA 0.603 4.923 4.320 0.001 0.000 0.299 5 A C -0.938 176.273 177.584 -0.623 0.000 1.098 5 A CA -1.018 50.693 52.037 -0.544 0.000 0.737 5 A CB 1.388 20.219 19.000 -0.281 0.000 1.312 5 A HN 0.848 nan 8.150 nan 0.000 0.414 6 M N 3.029 122.394 119.600 -0.392 0.000 2.220 6 M HA 0.233 4.713 4.480 0.001 0.000 0.343 6 M C -0.379 175.783 176.300 -0.229 0.000 1.470 6 M CA -0.090 55.020 55.300 -0.316 0.000 1.161 6 M CB -0.128 32.336 32.600 -0.226 0.000 1.737 6 M HN 0.733 nan 8.290 nan 0.000 0.464 7 L N 3.304 124.399 121.223 -0.213 0.000 2.095 7 L HA 0.051 4.392 4.340 0.001 0.000 0.204 7 L C 0.893 177.745 176.870 -0.030 0.000 1.080 7 L CA 0.485 55.261 54.840 -0.106 0.000 0.759 7 L CB -0.591 41.411 42.059 -0.095 0.000 0.914 7 L HN 0.879 nan 8.230 nan 0.000 0.439 8 S N -2.096 113.552 115.700 -0.086 0.000 2.655 8 S HA 0.364 4.835 4.470 0.001 0.000 0.266 8 S C -0.636 173.880 174.600 -0.139 0.000 1.149 8 S CA -0.971 57.176 58.200 -0.089 0.000 0.818 8 S CB 0.999 64.227 63.200 0.047 0.000 1.130 8 S HN -0.001 nan 8.310 nan 0.000 0.476 9 I N 2.106 122.599 120.570 -0.128 0.000 2.821 9 I HA 0.321 4.492 4.170 0.001 0.000 0.294 9 I C 1.603 177.658 176.117 -0.103 0.000 1.210 9 I CA 1.798 63.026 61.300 -0.119 0.000 1.430 9 I CB -0.269 37.692 38.000 -0.064 0.000 1.356 9 I HN 1.303 nan 8.210 nan 0.000 0.563 10 G N 4.818 113.499 108.800 -0.199 0.000 2.176 10 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 10 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 10 G C 0.104 174.956 174.900 -0.080 0.000 0.979 10 G CA -0.232 44.811 45.100 -0.095 0.000 0.641 10 G HN 0.591 nan 8.290 nan 0.000 0.530 11 K N 0.003 120.293 120.400 -0.182 0.000 2.507 11 K HA 0.650 4.971 4.320 0.001 0.000 0.251 11 K C -0.237 176.239 176.600 -0.206 0.000 0.943 11 K CA -0.509 55.717 56.287 -0.102 0.000 0.794 11 K CB 3.213 35.680 32.500 -0.055 0.000 1.188 11 K HN 0.690 nan 8.250 nan 0.000 0.428 12 V N -1.499 118.305 119.914 -0.183 0.000 3.001 12 V HA 1.019 5.140 4.120 0.001 0.000 0.314 12 V C -0.172 175.704 176.094 -0.364 0.000 1.099 12 V CA -0.560 61.495 62.300 -0.409 0.000 0.989 12 V CB 1.777 33.285 31.823 -0.524 0.000 1.040 12 V HN 0.894 nan 8.190 nan 0.000 0.434 13 G N 0.682 109.095 108.800 -0.644 0.000 2.489 13 G HA2 0.440 4.401 3.960 0.001 0.000 0.291 13 G HA3 0.440 4.401 3.960 0.001 0.000 0.291 13 G C -2.092 172.571 174.900 -0.394 0.000 1.487 13 G CA -0.913 43.987 45.100 -0.334 0.000 0.795 13 G HN 0.891 nan 8.290 nan 0.000 0.513 14 W N 0.551 121.870 121.300 0.031 0.000 2.238 14 W HA 0.591 5.251 4.660 0.001 0.000 0.321 14 W C 0.975 177.496 176.519 0.003 0.000 1.293 14 W CA -0.040 57.350 57.345 0.074 0.000 1.204 14 W CB 0.907 30.439 29.460 0.120 0.000 1.167 14 W HN 0.548 nan 8.180 nan 0.000 0.553 15 I N -0.696 120.020 120.570 0.243 0.000 3.174 15 I HA 0.627 4.797 4.170 0.001 0.000 0.313 15 I C -1.034 175.175 176.117 0.153 0.000 1.155 15 I CA -1.544 59.838 61.300 0.137 0.000 0.977 15 I CB 2.282 40.309 38.000 0.045 0.000 1.248 15 I HN 0.177 nan 8.210 nan 0.000 0.453 16 E N 2.635 122.893 120.200 0.098 0.000 2.156 16 E HA 0.521 4.871 4.350 0.001 0.000 0.279 16 E C -1.382 175.261 176.600 0.071 0.000 0.965 16 E CA -0.394 56.056 56.400 0.084 0.000 0.789 16 E CB 1.317 31.051 29.700 0.058 0.000 1.098 16 E HN 0.556 nan 8.360 nan 0.000 0.397 17 K N 2.607 123.056 120.400 0.083 0.000 2.444 17 K HA 0.264 4.584 4.320 0.001 0.000 0.252 17 K C -0.778 175.868 176.600 0.076 0.000 0.993 17 K CA -1.059 55.272 56.287 0.074 0.000 0.847 17 K CB 1.758 34.309 32.500 0.085 0.000 1.340 17 K HN 0.525 nan 8.250 nan 0.000 0.446 18 E N 2.270 122.506 120.200 0.061 0.000 2.415 18 E HA -0.067 4.284 4.350 0.001 0.000 0.263 18 E C -0.634 176.013 176.600 0.077 0.000 0.995 18 E CA 0.134 56.566 56.400 0.054 0.000 0.915 18 E CB 0.670 30.392 29.700 0.036 0.000 0.951 18 E HN 0.263 nan 8.360 nan 0.000 0.449 19 K N 6.408 126.849 120.400 0.067 0.000 2.436 19 K HA 0.111 4.432 4.320 0.001 0.000 0.282 19 K C -2.044 174.580 176.600 0.040 0.000 1.044 19 K CA -1.312 55.014 56.287 0.064 0.000 1.028 19 K CB 0.473 32.953 32.500 -0.034 0.000 0.919 19 K HN 0.325 nan 8.250 nan 0.000 0.474 20 P HA 0.098 nan 4.420 nan 0.000 0.272 20 P C -1.375 175.971 177.300 0.076 0.000 1.223 20 P CA -0.444 62.720 63.100 0.106 0.000 0.784 20 P CB 1.283 33.106 31.700 0.205 0.000 0.923 21 A N 3.003 125.881 122.820 0.096 0.000 2.355 21 A HA 0.742 5.063 4.320 0.001 0.000 0.324 21 A C -2.489 175.188 177.584 0.155 0.000 1.117 21 A CA -1.646 50.434 52.037 0.071 0.000 0.785 21 A CB 0.841 19.860 19.000 0.031 0.000 1.254 21 A HN 0.435 nan 8.150 nan 0.000 0.453 22 P HA 0.388 nan 4.420 nan 0.000 0.288 22 P C 0.356 177.717 177.300 0.101 0.000 1.267 22 P CA 0.082 63.240 63.100 0.096 0.000 0.815 22 P CB 1.471 33.161 31.700 -0.016 0.000 0.989 23 G N 3.054 111.953 108.800 0.165 0.000 2.683 23 G HA2 0.182 4.142 3.960 0.001 0.000 0.260 23 G HA3 0.182 4.142 3.960 0.001 0.000 0.260 23 G C -1.576 173.355 174.900 0.051 0.000 1.238 23 G CA -1.090 44.084 45.100 0.123 0.000 0.934 23 G HN 0.294 nan 8.290 nan 0.000 0.534 24 P HA -0.058 nan 4.420 nan 0.000 0.219 24 P C 0.808 177.866 177.300 -0.403 0.000 1.146 24 P CA 1.191 64.142 63.100 -0.248 0.000 0.808 24 P CB 0.036 31.505 31.700 -0.386 0.000 0.779 25 F N -1.817 118.155 119.950 0.037 0.000 2.653 25 F HA 0.191 4.719 4.527 0.001 0.000 0.304 25 F C 0.732 176.540 175.800 0.015 0.000 1.092 25 F CA -0.226 57.795 58.000 0.035 0.000 1.279 25 F CB 0.025 39.054 39.000 0.049 0.000 1.044 25 F HN -0.199 nan 8.300 nan 0.000 0.564 26 D N 0.247 120.707 120.400 0.101 0.000 2.384 26 D HA 0.665 5.305 4.640 0.001 0.000 0.250 26 D C -0.326 175.915 176.300 -0.098 0.000 1.029 26 D CA -0.370 53.608 54.000 -0.037 0.000 0.990 26 D CB 1.947 42.665 40.800 -0.138 0.000 1.175 26 D HN -0.006 nan 8.370 nan 0.000 0.532 27 A N 0.549 123.257 122.820 -0.187 0.000 2.401 27 A HA 0.609 4.930 4.320 0.001 0.000 0.310 27 A C -0.950 176.521 177.584 -0.189 0.000 1.075 27 A CA -0.663 51.289 52.037 -0.142 0.000 0.746 27 A CB 1.078 20.012 19.000 -0.111 0.000 1.277 27 A HN 0.383 nan 8.150 nan 0.000 0.425 28 I N 1.880 122.378 120.570 -0.120 0.000 2.359 28 I HA 0.500 4.671 4.170 0.001 0.000 0.294 28 I C -0.366 175.679 176.117 -0.121 0.000 0.987 28 I CA -0.496 60.745 61.300 -0.097 0.000 1.225 28 I CB 0.938 38.897 38.000 -0.068 0.000 1.366 28 I HN 0.280 nan 8.210 nan 0.000 0.466 29 V N 6.664 126.413 119.914 -0.276 0.000 2.735 29 V HA 0.532 4.652 4.120 0.001 0.000 0.310 29 V C -0.027 175.798 176.094 -0.447 0.000 1.061 29 V CA -0.977 61.069 62.300 -0.423 0.000 0.913 29 V CB 2.523 33.929 31.823 -0.694 0.000 1.005 29 V HN 0.828 nan 8.190 nan 0.000 0.428 30 R N 4.275 124.678 120.500 -0.161 0.000 2.460 30 R HA 0.641 4.982 4.340 0.001 0.000 0.303 30 R C -2.879 173.423 176.300 0.003 0.000 0.968 30 R CA -1.870 54.166 56.100 -0.107 0.000 0.889 30 R CB 1.871 32.118 30.300 -0.088 0.000 1.123 30 R HN 0.410 nan 8.270 nan 0.000 0.455 31 P HA 0.052 nan 4.420 nan 0.000 0.276 31 P C -0.075 177.276 177.300 0.085 0.000 1.230 31 P CA -0.269 62.977 63.100 0.243 0.000 0.776 31 P CB 1.135 33.024 31.700 0.314 0.000 0.888 32 L N 1.414 122.681 121.223 0.074 0.000 2.425 32 L HA 0.381 4.722 4.340 0.001 0.000 0.215 32 L C 1.074 177.946 176.870 0.003 0.000 1.065 32 L CA 0.461 55.316 54.840 0.025 0.000 0.842 32 L CB 0.075 42.160 42.059 0.043 0.000 1.033 32 L HN 0.411 nan 8.230 nan 0.000 0.474 33 A N 0.267 123.106 122.820 0.032 0.000 2.547 33 A HA 0.657 4.977 4.320 0.001 0.000 0.297 33 A C -1.000 176.617 177.584 0.056 0.000 1.056 33 A CA -0.444 51.608 52.037 0.024 0.000 0.688 33 A CB 1.775 20.794 19.000 0.032 0.000 1.282 33 A HN -0.092 nan 8.150 nan 0.000 0.400 34 V N -1.928 118.025 119.914 0.065 0.000 3.160 34 V HA 1.055 5.176 4.120 0.001 0.000 0.310 34 V C -0.212 175.970 176.094 0.145 0.000 1.181 34 V CA -0.409 61.971 62.300 0.132 0.000 1.047 34 V CB 1.345 33.327 31.823 0.265 0.000 1.068 34 V HN 2.480 nan 8.190 nan 0.000 0.441 35 A N 2.064 125.004 122.820 0.200 0.000 2.549 35 A HA 1.023 5.343 4.320 0.001 0.000 0.297 35 A C -3.203 174.550 177.584 0.281 0.000 1.061 35 A CA -1.593 50.553 52.037 0.181 0.000 0.690 35 A CB 2.126 21.189 19.000 0.104 0.000 1.287 35 A HN 0.815 nan 8.150 nan 0.000 0.402 36 P HA 0.562 nan 4.420 nan 0.000 0.281 36 P C -0.753 176.613 177.300 0.109 0.000 1.264 36 P CA -0.443 62.856 63.100 0.333 0.000 0.824 36 P CB 1.548 33.410 31.700 0.270 0.000 1.092 37 C N 1.293 120.633 119.300 0.067 0.000 2.626 37 C HA 0.379 4.839 4.460 0.001 0.000 0.310 37 C C 2.169 177.177 174.990 0.030 0.000 1.191 37 C CA 0.264 59.307 59.018 0.043 0.000 1.517 37 C CB 0.612 28.387 27.740 0.059 0.000 2.102 37 C HN 0.827 nan 8.230 nan 0.000 0.479 38 T N 1.330 115.875 114.554 -0.016 0.000 2.849 38 T HA -0.131 4.220 4.350 0.001 0.000 0.270 38 T C 1.574 176.186 174.700 -0.148 0.000 1.066 38 T CA 2.127 64.146 62.100 -0.135 0.000 1.130 38 T CB -0.318 68.459 68.868 -0.153 0.000 0.864 38 T HN 0.688 nan 8.240 nan 0.000 0.481 39 S N 1.855 117.637 115.700 0.136 0.000 2.370 39 S HA -0.120 4.350 4.470 0.001 0.000 0.226 39 S C 1.753 176.606 174.600 0.422 0.000 1.033 39 S CA 1.380 59.818 58.200 0.397 0.000 1.011 39 S CB -0.544 63.036 63.200 0.633 0.000 0.852 39 S HN 0.548 nan 8.310 nan 0.000 0.457 40 D N 1.043 121.679 120.400 0.393 0.000 2.264 40 D HA 0.004 4.644 4.640 0.001 0.000 0.208 40 D C 1.710 178.197 176.300 0.313 0.000 0.966 40 D CA 0.440 54.690 54.000 0.416 0.000 0.864 40 D CB -0.165 40.945 40.800 0.517 0.000 0.933 40 D HN 0.271 nan 8.370 nan 0.000 0.499 41 I N 0.732 121.375 120.570 0.122 0.000 2.252 41 I HA -0.196 3.975 4.170 0.001 0.000 0.245 41 I C 2.152 178.359 176.117 0.151 0.000 1.102 41 I CA 1.176 62.564 61.300 0.146 0.000 1.385 41 I CB -1.179 36.758 38.000 -0.105 0.000 1.064 41 I HN 0.164 nan 8.210 nan 0.000 0.414 42 H N 0.755 119.843 119.070 0.031 0.000 2.321 42 H HA -0.085 4.472 4.556 0.001 0.000 0.300 42 H C 2.291 177.638 175.328 0.032 0.000 1.087 42 H CA 1.981 57.965 56.048 -0.106 0.000 1.319 42 H CB -0.734 28.649 29.762 -0.631 0.000 1.379 42 H HN 0.269 nan 8.280 nan 0.000 0.501 43 T N 0.778 115.501 114.554 0.282 0.000 2.708 43 T HA -0.075 4.276 4.350 0.001 0.000 0.266 43 T C 2.454 177.205 174.700 0.085 0.000 1.037 43 T CA 1.370 63.619 62.100 0.248 0.000 1.146 43 T CB -0.388 68.662 68.868 0.303 0.000 0.865 43 T HN 0.071 nan 8.240 nan 0.000 0.435 44 V N 0.220 120.150 119.914 0.026 0.000 2.323 44 V HA -0.013 4.107 4.120 0.001 0.000 0.244 44 V C 1.980 177.872 176.094 -0.338 0.000 1.041 44 V CA 1.584 63.735 62.300 -0.250 0.000 1.025 44 V CB -0.558 30.981 31.823 -0.474 0.000 0.656 44 V HN 0.397 nan 8.190 nan 0.000 0.451 45 F N -0.085 119.919 119.950 0.089 0.000 2.582 45 F HA 0.161 4.688 4.527 0.001 0.000 0.290 45 F C 2.257 178.088 175.800 0.052 0.000 1.115 45 F CA 0.548 58.586 58.000 0.062 0.000 1.445 45 F CB -0.071 38.960 39.000 0.052 0.000 1.126 45 F HN 0.131 nan 8.300 nan 0.000 0.574 46 E N -0.364 119.960 120.200 0.206 0.000 2.452 46 E HA 0.176 4.526 4.350 0.001 0.000 0.197 46 E C 1.491 178.142 176.600 0.084 0.000 1.022 46 E CA 0.416 56.896 56.400 0.133 0.000 0.890 46 E CB 0.114 29.892 29.700 0.130 0.000 0.918 46 E HN 0.309 nan 8.360 nan 0.000 0.496 47 G N 1.572 110.414 108.800 0.069 0.000 2.249 47 G HA2 -0.366 3.594 3.960 0.001 0.000 0.273 47 G HA3 -0.366 3.594 3.960 0.001 0.000 0.273 47 G C 0.945 175.884 174.900 0.065 0.000 1.036 47 G CA 0.381 45.504 45.100 0.039 0.000 0.824 47 G HN 0.405 nan 8.290 nan 0.000 0.504 48 A N -0.320 122.572 122.820 0.119 0.000 2.019 48 A HA 0.264 4.584 4.320 0.001 0.000 0.219 48 A C 2.031 179.722 177.584 0.178 0.000 1.164 48 A CA 1.714 53.845 52.037 0.157 0.000 0.644 48 A CB -0.260 18.863 19.000 0.205 0.000 0.805 48 A HN 1.611 nan 8.150 nan 0.000 0.449 49 I N -5.547 115.113 120.570 0.150 0.000 3.658 49 I HA 0.585 4.756 4.170 0.001 0.000 0.328 49 I C 0.528 176.640 176.117 -0.008 0.000 1.567 49 I CA -0.064 61.273 61.300 0.063 0.000 1.078 49 I CB -0.044 37.976 38.000 0.033 0.000 1.267 49 I HN 0.375 nan 8.210 nan 0.000 0.495 50 G N 1.989 110.785 108.800 -0.006 0.000 2.712 50 G HA2 -0.186 3.775 3.960 0.001 0.000 0.683 50 G HA3 -0.186 3.775 3.960 0.001 0.000 0.683 50 G C -0.729 174.123 174.900 -0.080 0.000 1.320 50 G CA -0.496 44.579 45.100 -0.042 0.000 0.847 50 G HN 0.553 nan 8.290 nan 0.000 0.553 51 E N 0.147 120.281 120.200 -0.109 0.000 2.398 51 E HA 0.583 4.933 4.350 0.001 0.000 0.263 51 E C 0.631 177.058 176.600 -0.288 0.000 1.046 51 E CA 0.158 56.436 56.400 -0.204 0.000 0.908 51 E CB 0.420 30.001 29.700 -0.199 0.000 0.963 51 E HN 0.567 nan 8.360 nan 0.000 0.431 52 R N 2.405 122.652 120.500 -0.422 0.000 2.774 52 R HA 0.418 4.759 4.340 0.001 0.000 0.272 52 R C -0.944 174.998 176.300 -0.596 0.000 1.000 52 R CA -0.805 55.059 56.100 -0.392 0.000 0.906 52 R CB 1.527 31.694 30.300 -0.221 0.000 1.227 52 R HN 0.637 nan 8.270 nan 0.000 0.468 53 H N 1.650 120.678 119.070 -0.070 0.000 2.823 53 H HA 0.269 4.825 4.556 0.001 0.000 0.332 53 H C -0.307 174.979 175.328 -0.071 0.000 0.980 53 H CA -0.705 55.302 56.048 -0.068 0.000 1.286 53 H CB 1.430 31.160 29.762 -0.053 0.000 1.541 53 H HN 0.477 nan 8.280 nan 0.000 0.521 54 N N 1.339 120.050 118.700 0.019 0.000 2.725 54 N HA -0.208 4.533 4.740 0.001 0.000 0.251 54 N C -0.185 175.299 175.510 -0.043 0.000 1.031 54 N CA 0.568 53.603 53.050 -0.026 0.000 0.720 54 N CB -0.887 37.601 38.487 0.002 0.000 0.930 54 N HN 0.679 nan 8.380 nan 0.000 0.543 55 M N 0.935 120.488 119.600 -0.079 0.000 2.080 55 M HA 0.309 4.790 4.480 0.001 0.000 0.350 55 M C 0.071 176.316 176.300 -0.091 0.000 1.173 55 M CA -0.551 54.705 55.300 -0.073 0.000 1.052 55 M CB 0.524 33.070 32.600 -0.091 0.000 1.577 55 M HN 0.082 nan 8.290 nan 0.000 0.455 56 I N 5.591 126.133 120.570 -0.047 0.000 2.710 56 I HA -0.033 4.137 4.170 0.001 0.000 0.286 56 I C 0.014 176.092 176.117 -0.065 0.000 1.181 56 I CA 0.062 61.337 61.300 -0.042 0.000 1.430 56 I CB 0.335 38.358 38.000 0.040 0.000 1.367 56 I HN 0.692 nan 8.210 nan 0.000 0.577 57 L N 4.865 126.040 121.223 -0.080 0.000 2.488 57 L HA 0.707 5.048 4.340 0.001 0.000 0.249 57 L C 0.617 177.137 176.870 -0.583 0.000 1.151 57 L CA -0.407 54.357 54.840 -0.126 0.000 0.806 57 L CB 0.800 42.872 42.059 0.021 0.000 1.261 57 L HN 0.856 nan 8.230 nan 0.000 0.484 58 G N 0.185 108.521 108.800 -0.774 0.000 2.777 58 G HA2 -0.129 3.832 3.960 0.001 0.000 0.686 58 G HA3 -0.129 3.832 3.960 0.001 0.000 0.686 58 G C -0.442 174.061 174.900 -0.662 0.000 1.177 58 G CA -0.065 44.205 45.100 -1.382 0.000 0.775 58 G HN 1.094 nan 8.290 nan 0.000 0.613 59 H N -0.169 118.695 119.070 -0.343 0.000 3.109 59 H HA 0.391 4.947 4.556 0.001 0.000 0.248 59 H C -0.213 175.037 175.328 -0.129 0.000 1.177 59 H CA 0.136 56.089 56.048 -0.159 0.000 0.977 59 H CB 0.751 30.652 29.762 0.232 0.000 2.165 59 H HN 0.537 nan 8.280 nan 0.000 0.693 60 E N 1.674 121.738 120.200 -0.227 0.000 2.325 60 E HA 0.678 5.028 4.350 0.001 0.000 0.248 60 E C -1.177 175.375 176.600 -0.079 0.000 0.912 60 E CA -0.650 55.703 56.400 -0.078 0.000 0.782 60 E CB 2.181 31.860 29.700 -0.036 0.000 1.264 60 E HN 0.489 nan 8.360 nan 0.000 0.417 61 A N 2.194 124.973 122.820 -0.069 0.000 2.486 61 A HA 0.648 4.968 4.320 0.001 0.000 0.300 61 A C -0.972 176.654 177.584 0.071 0.000 1.048 61 A CA -0.608 51.423 52.037 -0.009 0.000 0.696 61 A CB 1.472 20.416 19.000 -0.093 0.000 1.278 61 A HN 0.317 nan 8.150 nan 0.000 0.405 62 V N 1.183 121.153 119.914 0.094 0.000 2.532 62 V HA 0.817 4.937 4.120 0.001 0.000 0.295 62 V C 0.802 176.980 176.094 0.141 0.000 1.041 62 V CA 0.411 62.775 62.300 0.107 0.000 0.926 62 V CB 1.560 33.431 31.823 0.078 0.000 0.992 62 V HN 1.364 nan 8.190 nan 0.000 0.457 63 G N 2.456 111.339 108.800 0.139 0.000 2.725 63 G HA2 0.637 4.597 3.960 0.001 0.000 0.288 63 G HA3 0.637 4.597 3.960 0.001 0.000 0.288 63 G C -1.545 173.395 174.900 0.068 0.000 1.399 63 G CA -0.455 44.716 45.100 0.119 0.000 0.859 63 G HN 0.622 nan 8.290 nan 0.000 0.479 64 E N 0.262 120.487 120.200 0.041 0.000 2.145 64 E HA 0.455 4.805 4.350 0.001 0.000 0.270 64 E C -0.489 176.124 176.600 0.023 0.000 0.906 64 E CA -0.569 55.860 56.400 0.048 0.000 0.761 64 E CB 1.820 31.555 29.700 0.059 0.000 1.116 64 E HN 0.192 nan 8.360 nan 0.000 0.408 65 V N 5.279 125.214 119.914 0.035 0.000 2.540 65 V HA -0.042 4.079 4.120 0.001 0.000 0.297 65 V C 1.265 177.385 176.094 0.042 0.000 1.024 65 V CA 0.442 62.754 62.300 0.020 0.000 1.105 65 V CB 0.883 32.742 31.823 0.060 0.000 0.938 65 V HN 0.719 nan 8.190 nan 0.000 0.482 66 V N 1.165 121.099 119.914 0.032 0.000 3.572 66 V HA 0.478 4.598 4.120 0.001 0.000 0.260 66 V C 0.427 176.525 176.094 0.007 0.000 1.324 66 V CA 0.439 62.769 62.300 0.049 0.000 1.068 66 V CB 0.267 32.161 31.823 0.119 0.000 0.837 66 V HN 0.834 nan 8.190 nan 0.000 0.450 67 E N 0.420 120.612 120.200 -0.015 0.000 2.352 67 E HA 0.584 4.935 4.350 0.001 0.000 0.280 67 E C -1.720 174.866 176.600 -0.024 0.000 0.930 67 E CA -0.466 55.918 56.400 -0.027 0.000 0.765 67 E CB 2.971 32.637 29.700 -0.058 0.000 1.219 67 E HN 0.383 nan 8.360 nan 0.000 0.434 68 V N 0.353 120.259 119.914 -0.013 0.000 2.876 68 V HA 0.898 5.018 4.120 0.001 0.000 0.312 68 V C 0.362 176.440 176.094 -0.027 0.000 1.085 68 V CA -0.271 62.022 62.300 -0.011 0.000 0.945 68 V CB 1.457 33.297 31.823 0.028 0.000 1.017 68 V HN 0.702 nan 8.190 nan 0.000 0.428 69 G N 1.602 110.379 108.800 -0.040 0.000 2.667 69 G HA2 0.361 4.322 3.960 0.001 0.000 0.250 69 G HA3 0.361 4.322 3.960 0.001 0.000 0.250 69 G C 1.056 175.895 174.900 -0.101 0.000 1.212 69 G CA 0.162 45.220 45.100 -0.070 0.000 0.874 69 G HN 1.729 nan 8.290 nan 0.000 0.561 70 S N -0.772 114.851 115.700 -0.129 0.000 2.469 70 S HA -0.053 4.418 4.470 0.001 0.000 0.238 70 S C 1.252 175.749 174.600 -0.172 0.000 0.998 70 S CA 1.306 59.430 58.200 -0.126 0.000 0.957 70 S CB 0.079 63.211 63.200 -0.113 0.000 0.764 70 S HN 0.553 nan 8.310 nan 0.000 0.514 71 E N 0.956 120.973 120.200 -0.305 0.000 2.481 71 E HA 0.270 4.620 4.350 0.001 0.000 0.198 71 E C -0.322 176.176 176.600 -0.171 0.000 1.027 71 E CA -0.064 56.121 56.400 -0.358 0.000 0.900 71 E CB 0.698 29.866 29.700 -0.888 0.000 0.993 71 E HN 0.367 nan 8.360 nan 0.000 0.482 72 V N 2.119 121.980 119.914 -0.088 0.000 2.508 72 V HA 0.050 4.171 4.120 0.001 0.000 0.281 72 V C 1.248 177.365 176.094 0.039 0.000 1.041 72 V CA 0.377 62.699 62.300 0.036 0.000 1.016 72 V CB 1.213 33.076 31.823 0.067 0.000 0.984 72 V HN 0.058 nan 8.190 nan 0.000 0.478 73 K N 1.786 122.221 120.400 0.059 0.000 2.313 73 K HA 0.128 4.449 4.320 0.001 0.000 0.197 73 K C 0.486 177.073 176.600 -0.022 0.000 1.061 73 K CA 0.278 56.575 56.287 0.017 0.000 0.980 73 K CB 0.387 32.896 32.500 0.015 0.000 0.888 73 K HN 0.554 nan 8.250 nan 0.000 0.502 74 D N -0.576 119.797 120.400 -0.045 0.000 2.407 74 D HA 0.141 4.782 4.640 0.001 0.000 0.208 74 D C -0.559 175.376 176.300 -0.607 0.000 1.083 74 D CA 0.332 54.163 54.000 -0.280 0.000 0.844 74 D CB 0.489 41.076 40.800 -0.355 0.000 0.967 74 D HN -0.053 nan 8.370 nan 0.000 0.506 75 F N 0.571 120.557 119.950 0.059 0.000 2.551 75 F HA 0.468 4.996 4.527 0.001 0.000 0.316 75 F C 0.316 176.141 175.800 0.041 0.000 1.089 75 F CA -0.814 57.218 58.000 0.052 0.000 0.915 75 F CB 2.101 41.081 39.000 -0.034 0.000 1.186 75 F HN -0.562 nan 8.300 nan 0.000 0.456 76 K N 2.024 122.545 120.400 0.202 0.000 2.482 76 K HA 0.508 4.828 4.320 0.001 0.000 0.257 76 K C -2.916 173.752 176.600 0.113 0.000 0.969 76 K CA -2.227 54.130 56.287 0.115 0.000 0.842 76 K CB 2.250 34.790 32.500 0.067 0.000 1.359 76 K HN 0.161 nan 8.250 nan 0.000 0.441 77 P HA -0.055 nan 4.420 nan 0.000 0.264 77 P C 0.460 177.801 177.300 0.069 0.000 1.183 77 P CA 1.231 64.369 63.100 0.063 0.000 0.763 77 P CB 0.457 32.181 31.700 0.041 0.000 0.807 78 G N 2.008 110.853 108.800 0.075 0.000 2.234 78 G HA2 -0.186 3.774 3.960 0.001 0.000 0.235 78 G HA3 -0.186 3.774 3.960 0.001 0.000 0.235 78 G C -0.082 174.877 174.900 0.098 0.000 0.997 78 G CA -0.350 44.796 45.100 0.076 0.000 0.623 78 G HN 0.502 nan 8.290 nan 0.000 0.514 79 D N 1.324 121.806 120.400 0.136 0.000 2.390 79 D HA 0.419 5.059 4.640 0.001 0.000 0.249 79 D C 0.948 177.352 176.300 0.173 0.000 1.144 79 D CA 0.101 54.220 54.000 0.199 0.000 0.880 79 D CB 0.528 41.528 40.800 0.333 0.000 1.182 79 D HN 0.364 nan 8.370 nan 0.000 0.451 80 R N 1.079 121.681 120.500 0.170 0.000 2.308 80 R HA 0.454 4.794 4.340 0.001 0.000 0.305 80 R C -0.288 176.106 176.300 0.157 0.000 1.053 80 R CA -0.686 55.495 56.100 0.135 0.000 0.957 80 R CB 1.054 31.421 30.300 0.111 0.000 1.022 80 R HN 0.271 nan 8.270 nan 0.000 0.461 81 V N -0.407 119.569 119.914 0.103 0.000 2.925 81 V HA 0.504 4.625 4.120 0.001 0.000 0.311 81 V C -0.301 175.830 176.094 0.062 0.000 1.104 81 V CA -1.077 61.261 62.300 0.063 0.000 0.954 81 V CB 2.129 33.919 31.823 -0.055 0.000 1.022 81 V HN 0.354 nan 8.190 nan 0.000 0.427 82 V N 3.737 123.682 119.914 0.052 0.000 2.432 82 V HA 0.422 4.543 4.120 0.001 0.000 0.275 82 V C 0.122 176.247 176.094 0.052 0.000 1.043 82 V CA -0.323 62.012 62.300 0.059 0.000 0.925 82 V CB 1.393 33.249 31.823 0.055 0.000 0.985 82 V HN 0.758 nan 8.190 nan 0.000 0.466 83 V N 8.389 128.360 119.914 0.095 0.000 2.350 83 V HA 0.340 4.460 4.120 0.001 0.000 0.276 83 V C -1.970 174.216 176.094 0.154 0.000 1.028 83 V CA -1.797 60.591 62.300 0.147 0.000 0.860 83 V CB 1.506 33.479 31.823 0.249 0.000 0.990 83 V HN 0.738 nan 8.190 nan 0.000 0.453 84 P HA 0.156 nan 4.420 nan 0.000 0.271 84 P C 0.576 178.012 177.300 0.226 0.000 1.218 84 P CA -0.146 63.040 63.100 0.144 0.000 0.780 84 P CB 1.344 33.110 31.700 0.111 0.000 0.901 85 A N 2.903 125.836 122.820 0.188 0.000 1.972 85 A HA -0.076 4.245 4.320 0.001 0.000 0.219 85 A C 1.077 178.797 177.584 0.226 0.000 1.169 85 A CA 1.307 53.497 52.037 0.256 0.000 0.635 85 A CB -0.768 18.296 19.000 0.107 0.000 0.810 85 A HN 0.484 nan 8.150 nan 0.000 0.446 86 I N 1.068 121.705 120.570 0.112 0.000 2.312 86 I HA 0.253 4.423 4.170 0.001 0.000 0.290 86 I C 0.212 176.361 176.117 0.053 0.000 1.008 86 I CA 0.190 61.537 61.300 0.077 0.000 1.226 86 I CB 1.529 39.554 38.000 0.043 0.000 1.371 86 I HN 0.166 nan 8.210 nan 0.000 0.468 87 T N 4.600 119.138 114.554 -0.027 0.000 3.241 87 T HA 0.526 4.877 4.350 0.001 0.000 0.387 87 T C -2.696 171.933 174.700 -0.119 0.000 1.451 87 T CA -2.047 60.029 62.100 -0.039 0.000 1.363 87 T CB 0.601 69.400 68.868 -0.116 0.000 1.074 87 T HN 0.098 nan 8.240 nan 0.000 0.598 88 P HA 0.210 nan 4.420 nan 0.000 0.272 88 P C -0.173 176.875 177.300 -0.421 0.000 1.230 88 P CA -0.264 62.565 63.100 -0.452 0.000 0.788 88 P CB 0.510 31.639 31.700 -0.952 0.000 0.949 89 D N 0.698 120.910 120.400 -0.314 0.000 2.338 89 D HA 0.006 4.647 4.640 0.001 0.000 0.255 89 D C 0.150 176.289 176.300 -0.268 0.000 1.237 89 D CA -0.014 53.875 54.000 -0.185 0.000 0.883 89 D CB 0.025 40.755 40.800 -0.117 0.000 1.087 89 D HN 0.286 nan 8.370 nan 0.000 0.485 90 W N 3.101 124.372 121.300 -0.049 0.000 2.905 90 W HA 0.111 4.771 4.660 0.001 0.000 0.251 90 W C 1.118 177.614 176.519 -0.038 0.000 1.305 90 W CA -0.256 57.063 57.345 -0.043 0.000 1.465 90 W CB 0.320 29.742 29.460 -0.062 0.000 1.122 90 W HN 0.160 nan 8.180 nan 0.000 0.659 91 R N 1.089 121.646 120.500 0.095 0.000 3.559 91 R HA 0.199 4.540 4.340 0.001 0.000 0.273 91 R C -0.099 176.209 176.300 0.014 0.000 1.423 91 R CA 0.082 56.212 56.100 0.049 0.000 1.581 91 R CB -0.112 30.191 30.300 0.006 0.000 1.338 91 R HN -0.132 nan 8.270 nan 0.000 0.667 92 T N -3.870 110.693 114.554 0.015 0.000 2.865 92 T HA 0.149 4.500 4.350 0.001 0.000 0.294 92 T C 1.306 176.018 174.700 0.021 0.000 1.119 92 T CA -0.613 61.488 62.100 0.001 0.000 1.007 92 T CB 1.694 70.545 68.868 -0.027 0.000 1.225 92 T HN 0.124 nan 8.240 nan 0.000 0.515 93 S N 0.326 116.037 115.700 0.018 0.000 2.399 93 S HA -0.151 4.320 4.470 0.001 0.000 0.231 93 S C 1.472 176.101 174.600 0.048 0.000 1.022 93 S CA 1.339 59.557 58.200 0.031 0.000 0.983 93 S CB -0.772 62.441 63.200 0.022 0.000 0.803 93 S HN 0.779 nan 8.310 nan 0.000 0.480 94 E N 1.152 121.378 120.200 0.044 0.000 2.106 94 E HA 0.012 4.362 4.350 0.001 0.000 0.192 94 E C 2.103 178.760 176.600 0.095 0.000 0.984 94 E CA 0.935 57.383 56.400 0.081 0.000 0.806 94 E CB -0.501 29.243 29.700 0.073 0.000 0.750 94 E HN 0.409 nan 8.360 nan 0.000 0.458 95 V N 1.052 120.999 119.914 0.055 0.000 2.358 95 V HA -0.265 3.856 4.120 0.001 0.000 0.246 95 V C 2.085 178.248 176.094 0.115 0.000 1.047 95 V CA 1.747 64.100 62.300 0.088 0.000 1.035 95 V CB -0.443 31.438 31.823 0.097 0.000 0.658 95 V HN 0.305 nan 8.190 nan 0.000 0.452 96 Q N 0.248 120.103 119.800 0.091 0.000 2.291 96 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 96 Q C 1.983 178.029 176.000 0.077 0.000 0.976 96 Q CA 1.277 57.128 55.803 0.080 0.000 0.875 96 Q CB -0.142 28.633 28.738 0.061 0.000 0.927 96 Q HN 0.738 nan 8.270 nan 0.000 0.450 97 R N -1.167 119.389 120.500 0.093 0.000 2.507 97 R HA 0.276 4.617 4.340 0.001 0.000 0.298 97 R C 0.628 176.991 176.300 0.105 0.000 0.999 97 R CA 0.562 56.726 56.100 0.107 0.000 1.082 97 R CB 0.399 30.777 30.300 0.131 0.000 1.246 97 R HN 0.098 nan 8.270 nan 0.000 0.553 98 G N 0.590 109.422 108.800 0.054 0.000 2.131 98 G HA2 -0.280 3.681 3.960 0.001 0.000 0.223 98 G HA3 -0.280 3.681 3.960 0.001 0.000 0.223 98 G C -0.694 174.029 174.900 -0.294 0.000 0.990 98 G CA -0.050 44.994 45.100 -0.093 0.000 0.671 98 G HN 0.405 nan 8.290 nan 0.000 0.521 99 Y N 1.403 121.717 120.300 0.023 0.000 2.584 99 Y HA 0.318 4.869 4.550 0.001 0.000 0.358 99 Y C 1.686 177.498 175.900 -0.146 0.000 1.028 99 Y CA -0.484 57.589 58.100 -0.045 0.000 1.148 99 Y CB -0.152 38.357 38.460 0.082 0.000 1.126 99 Y HN 0.480 nan 8.280 nan 0.000 0.658 100 H N -1.105 117.913 119.070 -0.087 0.000 2.456 100 H HA -0.137 4.420 4.556 0.001 0.000 0.296 100 H C 0.663 175.783 175.328 -0.346 0.000 1.079 100 H CA 1.515 57.364 56.048 -0.331 0.000 1.322 100 H CB 0.261 29.644 29.762 -0.632 0.000 1.388 100 H HN 0.463 nan 8.280 nan 0.000 0.538 101 Q N 0.678 120.126 119.800 -0.586 0.000 2.234 101 Q HA -0.095 4.245 4.340 0.001 0.000 0.206 101 Q C 0.799 176.410 176.000 -0.647 0.000 0.980 101 Q CA 1.210 56.652 55.803 -0.602 0.000 0.869 101 Q CB 0.041 28.301 28.738 -0.796 0.000 0.912 101 Q HN 0.723 nan 8.270 nan 0.000 0.436 102 H N -0.989 118.041 119.070 -0.067 0.000 2.469 102 H HA 0.237 4.794 4.556 0.001 0.000 0.286 102 H C -0.225 175.062 175.328 -0.069 0.000 1.106 102 H CA -0.037 55.974 56.048 -0.062 0.000 1.055 102 H CB 0.002 29.721 29.762 -0.072 0.000 1.618 102 H HN 0.109 nan 8.280 nan 0.000 0.559 103 S N 0.198 115.855 115.700 -0.071 0.000 2.506 103 S HA 0.263 4.734 4.470 0.001 0.000 0.291 103 S C 1.512 176.067 174.600 -0.075 0.000 1.230 103 S CA 0.418 58.560 58.200 -0.097 0.000 1.107 103 S CB 0.329 63.397 63.200 -0.220 0.000 0.942 103 S HN 0.639 nan 8.310 nan 0.000 0.502 104 G N 1.951 110.724 108.800 -0.045 0.000 2.176 104 G HA2 0.276 4.237 3.960 0.001 0.000 0.253 104 G HA3 0.276 4.237 3.960 0.001 0.000 0.253 104 G C 0.737 175.617 174.900 -0.034 0.000 0.979 104 G CA -0.129 44.944 45.100 -0.044 0.000 0.641 104 G HN 2.405 nan 8.290 nan 0.000 0.530 105 G N -1.503 107.290 108.800 -0.012 0.000 2.339 105 G HA2 0.450 4.411 3.960 0.001 0.000 0.381 105 G HA3 0.450 4.411 3.960 0.001 0.000 0.381 105 G C -0.240 174.681 174.900 0.035 0.000 1.400 105 G CA 0.070 45.164 45.100 -0.010 0.000 1.002 105 G HN 1.341 nan 8.290 nan 0.000 0.633 106 M N 1.465 121.067 119.600 0.003 0.000 2.284 106 M HA 0.377 4.858 4.480 0.001 0.000 0.351 106 M C 1.406 177.788 176.300 0.137 0.000 1.443 106 M CA 0.788 56.113 55.300 0.042 0.000 1.031 106 M CB -0.395 32.145 32.600 -0.099 0.000 1.893 106 M HN 1.115 nan 8.290 nan 0.000 0.456 107 L N 2.744 124.189 121.223 0.370 0.000 5.051 107 L HA -0.329 4.011 4.340 0.001 0.000 0.432 107 L C 1.272 178.178 176.870 0.061 0.000 1.055 107 L CA 0.601 55.556 54.840 0.191 0.000 1.095 107 L CB -2.407 39.748 42.059 0.159 0.000 1.957 107 L HN 0.895 nan 8.230 nan 0.000 0.727 108 A N 0.345 123.172 122.820 0.012 0.000 2.168 108 A HA 0.238 4.559 4.320 0.001 0.000 0.215 108 A C 2.115 179.645 177.584 -0.091 0.000 1.152 108 A CA 1.554 53.552 52.037 -0.065 0.000 0.716 108 A CB -0.466 18.495 19.000 -0.065 0.000 0.794 108 A HN 0.577 nan 8.150 nan 0.000 0.465 109 G N -1.612 107.132 108.800 -0.093 0.000 2.484 109 G HA2 -0.111 3.849 3.960 0.001 0.000 0.218 109 G HA3 -0.111 3.849 3.960 0.001 0.000 0.218 109 G C 0.445 175.339 174.900 -0.010 0.000 1.130 109 G CA 0.399 45.435 45.100 -0.107 0.000 0.784 109 G HN 0.588 nan 8.290 nan 0.000 0.543 110 W N 2.432 123.622 121.300 -0.183 0.000 2.422 110 W HA 0.540 5.201 4.660 0.001 0.000 0.349 110 W C 0.802 177.220 176.519 -0.170 0.000 1.062 110 W CA -1.771 55.468 57.345 -0.175 0.000 1.497 110 W CB 0.403 29.751 29.460 -0.188 0.000 1.407 110 W HN -0.060 nan 8.180 nan 0.000 0.393 111 K N 3.826 124.139 120.400 -0.144 0.000 2.108 111 K HA 0.061 4.381 4.320 0.001 0.000 0.204 111 K C 0.308 176.751 176.600 -0.261 0.000 1.036 111 K CA 0.282 56.387 56.287 -0.304 0.000 0.965 111 K CB -0.336 31.955 32.500 -0.348 0.000 0.804 111 K HN -0.001 nan 8.250 nan 0.000 0.454 112 F N 2.979 122.913 119.950 -0.026 0.000 2.593 112 F HA -0.153 4.375 4.527 0.001 0.000 0.393 112 F C 1.295 177.090 175.800 -0.008 0.000 1.037 112 F CA 0.876 58.877 58.000 0.001 0.000 1.195 112 F CB -0.319 38.728 39.000 0.079 0.000 1.034 112 F HN 0.363 nan 8.300 nan 0.000 0.552 113 S N 0.497 116.270 115.700 0.121 0.000 3.261 113 S HA -0.360 4.111 4.470 0.001 0.000 0.287 113 S C 0.946 175.409 174.600 -0.228 0.000 1.281 113 S CA 1.303 59.531 58.200 0.047 0.000 1.053 113 S CB -1.919 61.432 63.200 0.252 0.000 1.251 113 S HN 0.790 nan 8.310 nan 0.000 0.659 114 N N 1.377 119.723 118.700 -0.590 0.000 2.765 114 N HA 0.253 4.994 4.740 0.001 0.000 0.230 114 N C 1.233 176.471 175.510 -0.454 0.000 1.022 114 N CA 1.807 54.352 53.050 -0.842 0.000 1.106 114 N CB 0.253 37.769 38.487 -1.618 0.000 1.527 114 N HN 1.089 nan 8.380 nan 0.000 0.507 115 V N -2.431 117.253 119.914 -0.384 0.000 3.159 115 V HA 0.537 4.658 4.120 0.001 0.000 0.333 115 V C 0.031 176.026 176.094 -0.164 0.000 1.424 115 V CA -0.376 61.781 62.300 -0.238 0.000 1.125 115 V CB -0.462 31.227 31.823 -0.222 0.000 1.075 115 V HN 0.259 nan 8.190 nan 0.000 0.482 116 K N 0.232 120.552 120.400 -0.135 0.000 2.546 116 K HA 0.376 4.696 4.320 0.001 0.000 0.264 116 K C -1.515 175.109 176.600 0.041 0.000 0.937 116 K CA -0.647 55.610 56.287 -0.049 0.000 0.833 116 K CB 2.240 34.697 32.500 -0.071 0.000 1.378 116 K HN 0.124 nan 8.250 nan 0.000 0.432 117 D N 1.722 122.170 120.400 0.080 0.000 2.493 117 D HA 0.079 4.719 4.640 0.001 0.000 0.240 117 D C 0.440 176.873 176.300 0.221 0.000 1.142 117 D CA 0.694 54.762 54.000 0.113 0.000 0.872 117 D CB 1.148 42.021 40.800 0.120 0.000 1.173 117 D HN 0.667 nan 8.370 nan 0.000 0.467 118 G N 0.295 109.146 108.800 0.085 0.000 2.494 118 G HA2 0.285 4.246 3.960 0.001 0.000 0.270 118 G HA3 0.285 4.246 3.960 0.001 0.000 0.270 118 G C 1.112 175.803 174.900 -0.349 0.000 1.423 118 G CA -0.094 44.939 45.100 -0.112 0.000 1.055 118 G HN 0.378 nan 8.290 nan 0.000 0.536 119 V N -3.256 116.232 119.914 -0.709 0.000 3.608 119 V HA 0.321 4.442 4.120 0.001 0.000 0.269 119 V C 0.672 176.735 176.094 -0.052 0.000 1.245 119 V CA 0.243 62.071 62.300 -0.787 0.000 1.138 119 V CB -0.687 30.412 31.823 -1.207 0.000 0.841 119 V HN 0.281 nan 8.190 nan 0.000 0.451 120 F N 3.056 122.989 119.950 -0.029 0.000 2.783 120 F HA 0.771 5.299 4.527 0.001 0.000 0.338 120 F C 1.074 177.004 175.800 0.216 0.000 1.178 120 F CA -0.737 57.326 58.000 0.105 0.000 1.343 120 F CB -0.444 38.581 39.000 0.043 0.000 1.496 120 F HN 0.308 nan 8.300 nan 0.000 0.583 121 G N -0.504 108.572 108.800 0.461 0.000 2.680 121 G HA2 0.315 4.276 3.960 0.001 0.000 0.290 121 G HA3 0.315 4.276 3.960 0.001 0.000 0.290 121 G C 0.437 175.513 174.900 0.295 0.000 1.355 121 G CA -0.543 44.776 45.100 0.365 0.000 0.903 121 G HN 0.181 nan 8.290 nan 0.000 0.474 122 E N -0.988 119.212 120.200 -0.000 0.000 2.153 122 E HA -0.018 4.332 4.350 0.001 0.000 0.194 122 E C -0.334 175.885 176.600 -0.636 0.000 0.988 122 E CA 1.212 57.395 56.400 -0.361 0.000 0.811 122 E CB 0.007 29.442 29.700 -0.440 0.000 0.746 122 E HN 0.356 nan 8.360 nan 0.000 0.466 123 F N -1.084 118.972 119.950 0.176 0.000 2.626 123 F HA 0.420 4.948 4.527 0.001 0.000 0.311 123 F C -0.470 175.472 175.800 0.237 0.000 1.088 123 F CA -1.459 56.605 58.000 0.107 0.000 0.949 123 F CB 1.500 40.526 39.000 0.042 0.000 1.322 123 F HN -0.200 nan 8.300 nan 0.000 0.461 124 F N -1.266 118.874 119.950 0.317 0.000 2.664 124 F HA 0.558 5.085 4.527 0.001 0.000 0.317 124 F C -1.373 174.617 175.800 0.316 0.000 1.108 124 F CA -0.994 57.169 58.000 0.272 0.000 0.957 124 F CB 1.399 40.483 39.000 0.139 0.000 1.365 124 F HN 0.546 nan 8.300 nan 0.000 0.475 125 H N 1.297 120.662 119.070 0.492 0.000 2.467 125 H HA 0.661 5.217 4.556 0.001 0.000 0.326 125 H C -1.650 173.954 175.328 0.459 0.000 1.094 125 H CA -0.534 55.713 56.048 0.331 0.000 1.253 125 H CB 1.907 31.808 29.762 0.231 0.000 1.439 125 H HN 0.622 nan 8.280 nan 0.000 0.479 126 V N 7.295 127.252 119.914 0.072 0.000 2.357 126 V HA 0.077 4.198 4.120 0.001 0.000 0.284 126 V C 0.315 176.343 176.094 -0.110 0.000 1.018 126 V CA -1.131 61.247 62.300 0.131 0.000 0.841 126 V CB 1.073 32.990 31.823 0.157 0.000 0.991 126 V HN 0.796 nan 8.190 nan 0.000 0.437 127 N N 3.501 122.249 118.700 0.080 0.000 2.513 127 N HA 0.034 4.775 4.740 0.001 0.000 0.268 127 N C 0.022 175.592 175.510 0.099 0.000 1.180 127 N CA -0.134 52.997 53.050 0.136 0.000 0.948 127 N CB 0.962 39.556 38.487 0.177 0.000 1.083 127 N HN 0.708 nan 8.380 nan 0.000 0.455 128 D N 0.491 120.969 120.400 0.130 0.000 2.927 128 D HA -0.194 4.446 4.640 0.001 0.000 0.236 128 D C 1.044 177.400 176.300 0.093 0.000 1.163 128 D CA 0.727 54.818 54.000 0.153 0.000 0.801 128 D CB -0.829 40.078 40.800 0.178 0.000 0.975 128 D HN 0.730 nan 8.370 nan 0.000 0.413 129 A N 2.208 125.061 122.820 0.055 0.000 1.884 129 A HA -0.266 4.055 4.320 0.001 0.000 0.219 129 A C 1.892 179.473 177.584 -0.005 0.000 1.197 129 A CA 2.090 54.096 52.037 -0.053 0.000 0.637 129 A CB -0.173 18.811 19.000 -0.028 0.000 0.827 129 A HN 0.492 nan 8.150 nan 0.000 0.450 130 D N -0.992 119.508 120.400 0.167 0.000 2.219 130 D HA -0.081 4.560 4.640 0.001 0.000 0.205 130 D C 1.791 178.145 176.300 0.091 0.000 0.970 130 D CA 0.979 55.128 54.000 0.248 0.000 0.851 130 D CB -0.160 40.748 40.800 0.180 0.000 0.943 130 D HN 0.334 nan 8.370 nan 0.000 0.488 131 M N -0.367 119.218 119.600 -0.026 0.000 2.510 131 M HA 0.062 4.543 4.480 0.001 0.000 0.256 131 M C 0.576 176.806 176.300 -0.116 0.000 1.132 131 M CA 0.592 55.752 55.300 -0.234 0.000 1.105 131 M CB 0.112 32.413 32.600 -0.498 0.000 1.375 131 M HN -0.101 nan 8.290 nan 0.000 0.477 132 N N 0.054 118.752 118.700 -0.003 0.000 2.194 132 N HA 0.347 5.088 4.740 0.001 0.000 0.231 132 N C -0.459 175.018 175.510 -0.056 0.000 1.247 132 N CA 0.129 53.208 53.050 0.049 0.000 0.884 132 N CB 1.825 40.389 38.487 0.129 0.000 1.146 132 N HN 0.238 nan 8.380 nan 0.000 0.516 133 L N 0.337 121.423 121.223 -0.227 0.000 2.341 133 L HA 0.835 5.175 4.340 0.001 0.000 0.267 133 L C -0.492 176.239 176.870 -0.232 0.000 1.009 133 L CA -1.006 53.583 54.840 -0.418 0.000 0.819 133 L CB 2.158 43.537 42.059 -1.133 0.000 1.323 133 L HN -0.136 nan 8.230 nan 0.000 0.425 134 A N 0.413 123.169 122.820 -0.107 0.000 2.386 134 A HA 0.572 4.893 4.320 0.001 0.000 0.311 134 A C -0.912 176.734 177.584 0.104 0.000 1.068 134 A CA -0.628 51.456 52.037 0.077 0.000 0.743 134 A CB 0.824 19.863 19.000 0.066 0.000 1.258 134 A HN 0.701 nan 8.150 nan 0.000 0.429 135 H N 1.146 120.394 119.070 0.296 0.000 2.848 135 H HA 0.147 4.703 4.556 0.001 0.000 0.341 135 H C -0.544 174.844 175.328 0.099 0.000 1.060 135 H CA 0.425 56.597 56.048 0.207 0.000 1.444 135 H CB 1.209 31.034 29.762 0.105 0.000 1.446 135 H HN 0.484 nan 8.280 nan 0.000 0.583 136 L N 6.712 128.061 121.223 0.209 0.000 2.260 136 L HA 0.314 4.655 4.340 0.001 0.000 0.289 136 L C -2.212 174.722 176.870 0.107 0.000 1.057 136 L CA -1.640 53.278 54.840 0.129 0.000 0.811 136 L CB 0.702 42.827 42.059 0.111 0.000 1.184 136 L HN 0.392 nan 8.230 nan 0.000 0.429 137 P HA 0.111 nan 4.420 nan 0.000 0.268 137 P C -0.016 177.346 177.300 0.104 0.000 1.205 137 P CA -0.209 62.936 63.100 0.076 0.000 0.771 137 P CB 0.396 32.148 31.700 0.087 0.000 0.858 138 K N 1.783 122.237 120.400 0.090 0.000 2.280 138 K HA -0.168 4.153 4.320 0.001 0.000 0.202 138 K C 0.629 177.272 176.600 0.072 0.000 1.047 138 K CA 1.495 57.826 56.287 0.073 0.000 0.942 138 K CB -0.194 32.339 32.500 0.055 0.000 0.739 138 K HN 0.255 nan 8.250 nan 0.000 0.457 139 E N 0.930 121.192 120.200 0.104 0.000 2.427 139 E HA 0.115 4.466 4.350 0.001 0.000 0.196 139 E C 0.022 176.640 176.600 0.030 0.000 1.028 139 E CA 0.385 56.817 56.400 0.053 0.000 0.864 139 E CB 0.080 29.797 29.700 0.029 0.000 0.813 139 E HN 0.358 nan 8.360 nan 0.000 0.514 140 I N 2.422 123.035 120.570 0.072 0.000 2.304 140 I HA 0.214 4.385 4.170 0.001 0.000 0.291 140 I C -2.150 173.993 176.117 0.043 0.000 1.018 140 I CA -2.505 58.828 61.300 0.055 0.000 1.260 140 I CB 1.058 39.109 38.000 0.085 0.000 1.390 140 I HN -0.183 nan 8.210 nan 0.000 0.475 141 P HA 0.118 nan 4.420 nan 0.000 0.269 141 P C 0.878 178.197 177.300 0.032 0.000 1.215 141 P CA -0.292 62.823 63.100 0.024 0.000 0.780 141 P CB 0.837 32.545 31.700 0.014 0.000 0.898 142 L N 0.950 122.191 121.223 0.030 0.000 2.079 142 L HA -0.233 4.108 4.340 0.001 0.000 0.210 142 L C 2.007 178.898 176.870 0.034 0.000 1.081 142 L CA 1.796 56.657 54.840 0.034 0.000 0.752 142 L CB -0.633 41.443 42.059 0.028 0.000 0.896 142 L HN 0.409 nan 8.230 nan 0.000 0.433 143 E N 0.164 120.380 120.200 0.026 0.000 2.110 143 E HA -0.187 4.164 4.350 0.001 0.000 0.193 143 E C 2.247 178.871 176.600 0.040 0.000 0.988 143 E CA 1.346 57.763 56.400 0.028 0.000 0.804 143 E CB -0.262 29.448 29.700 0.016 0.000 0.745 143 E HN 0.478 nan 8.360 nan 0.000 0.458 144 A N 1.001 123.845 122.820 0.040 0.000 1.872 144 A HA 0.014 4.335 4.320 0.001 0.000 0.214 144 A C 2.372 179.984 177.584 0.047 0.000 1.187 144 A CA 1.526 53.592 52.037 0.048 0.000 0.614 144 A CB -0.806 18.220 19.000 0.044 0.000 0.826 144 A HN 0.282 nan 8.150 nan 0.000 0.442 145 A N -0.799 122.048 122.820 0.045 0.000 1.972 145 A HA -0.035 4.286 4.320 0.001 0.000 0.219 145 A C 2.170 179.782 177.584 0.047 0.000 1.169 145 A CA 1.701 53.766 52.037 0.047 0.000 0.635 145 A CB -0.878 18.154 19.000 0.054 0.000 0.810 145 A HN 0.731 nan 8.150 nan 0.000 0.446 146 V N -0.088 119.856 119.914 0.049 0.000 3.380 146 V HA -0.076 4.045 4.120 0.001 0.000 0.268 146 V C 1.746 177.871 176.094 0.051 0.000 1.168 146 V CA 1.195 63.526 62.300 0.051 0.000 1.156 146 V CB -0.545 31.310 31.823 0.053 0.000 0.785 146 V HN 0.513 nan 8.190 nan 0.000 0.487 147 M N -0.876 118.755 119.600 0.051 0.000 2.595 147 M HA 0.137 4.617 4.480 0.001 0.000 0.248 147 M C 1.752 178.074 176.300 0.037 0.000 1.119 147 M CA 1.226 56.556 55.300 0.051 0.000 1.079 147 M CB -0.551 32.085 32.600 0.060 0.000 1.472 147 M HN 0.339 nan 8.290 nan 0.000 0.501 148 I N 0.378 120.965 120.570 0.028 0.000 2.400 148 I HA -0.107 4.064 4.170 0.001 0.000 0.248 148 I C -0.539 175.591 176.117 0.021 0.000 1.109 148 I CA 0.827 62.131 61.300 0.008 0.000 1.425 148 I CB -1.730 36.272 38.000 0.004 0.000 1.094 148 I HN 0.115 nan 8.210 nan 0.000 0.425 149 P HA -0.166 nan 4.420 nan 0.000 0.219 149 P C 0.764 178.101 177.300 0.061 0.000 1.146 149 P CA 1.681 64.818 63.100 0.061 0.000 0.808 149 P CB 0.165 31.911 31.700 0.077 0.000 0.779 150 D N -3.852 116.583 120.400 0.059 0.000 2.464 150 D HA 0.048 4.689 4.640 0.001 0.000 0.272 150 D C 1.679 178.010 176.300 0.051 0.000 1.224 150 D CA 0.348 54.380 54.000 0.054 0.000 1.118 150 D CB -0.592 40.279 40.800 0.118 0.000 1.710 150 D HN -0.291 nan 8.370 nan 0.000 0.479 151 M N 0.472 120.109 119.600 0.062 0.000 2.086 151 M HA -0.015 4.466 4.480 0.001 0.000 0.261 151 M C 2.365 178.717 176.300 0.087 0.000 1.067 151 M CA 1.318 56.660 55.300 0.069 0.000 1.116 151 M CB -0.969 31.671 32.600 0.067 0.000 1.348 151 M HN 0.179 nan 8.290 nan 0.000 0.407 152 M N -1.097 118.543 119.600 0.066 0.000 2.099 152 M HA -0.159 4.322 4.480 0.001 0.000 0.262 152 M C 2.350 178.709 176.300 0.099 0.000 1.067 152 M CA 1.834 57.177 55.300 0.072 0.000 1.124 152 M CB -0.698 31.842 32.600 -0.099 0.000 1.353 152 M HN 0.333 nan 8.290 nan 0.000 0.410 153 T N -0.153 114.422 114.554 0.035 0.000 2.746 153 T HA -0.139 4.211 4.350 0.001 0.000 0.267 153 T C 1.621 176.391 174.700 0.116 0.000 1.039 153 T CA 2.139 64.268 62.100 0.048 0.000 1.142 153 T CB -0.166 68.706 68.868 0.007 0.000 0.866 153 T HN 0.386 nan 8.240 nan 0.000 0.444 154 T N 0.382 114.992 114.554 0.094 0.000 2.732 154 T HA 0.073 4.424 4.350 0.001 0.000 0.261 154 T C 2.062 176.853 174.700 0.153 0.000 1.040 154 T CA 1.248 63.411 62.100 0.106 0.000 1.145 154 T CB -1.024 67.872 68.868 0.047 0.000 0.866 154 T HN 0.510 nan 8.240 nan 0.000 0.427 155 G N 0.388 109.277 108.800 0.148 0.000 2.418 155 G HA2 -0.146 3.815 3.960 0.001 0.000 0.217 155 G HA3 -0.146 3.815 3.960 0.001 0.000 0.217 155 G C 1.310 176.272 174.900 0.104 0.000 1.158 155 G CA 0.350 45.512 45.100 0.104 0.000 0.771 155 G HN 0.472 nan 8.290 nan 0.000 0.545 156 F N -0.305 119.660 119.950 0.025 0.000 2.234 156 F HA 0.032 4.559 4.527 0.001 0.000 0.299 156 F C 2.503 178.355 175.800 0.088 0.000 1.087 156 F CA 1.180 59.202 58.000 0.037 0.000 1.340 156 F CB -0.111 38.900 39.000 0.019 0.000 1.031 156 F HN 0.179 nan 8.300 nan 0.000 0.500 157 H N -0.052 119.109 119.070 0.152 0.000 2.421 157 H HA -0.046 4.510 4.556 0.001 0.000 0.298 157 H C 2.367 177.723 175.328 0.047 0.000 1.087 157 H CA 1.303 57.401 56.048 0.083 0.000 1.330 157 H CB -0.675 29.123 29.762 0.060 0.000 1.388 157 H HN 0.197 nan 8.280 nan 0.000 0.526 158 G N -0.175 108.649 108.800 0.041 0.000 2.421 158 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 158 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 158 G C 1.934 176.791 174.900 -0.072 0.000 1.171 158 G CA 0.986 46.062 45.100 -0.040 0.000 0.775 158 G HN 0.576 nan 8.290 nan 0.000 0.543 159 A N 0.804 123.585 122.820 -0.066 0.000 1.933 159 A HA -0.018 4.302 4.320 0.001 0.000 0.218 159 A C 2.165 179.715 177.584 -0.058 0.000 1.175 159 A CA 1.973 53.965 52.037 -0.075 0.000 0.628 159 A CB -0.374 18.547 19.000 -0.132 0.000 0.814 159 A HN 0.477 nan 8.150 nan 0.000 0.444 160 E N -0.136 120.035 120.200 -0.047 0.000 2.051 160 E HA -0.139 4.212 4.350 0.001 0.000 0.192 160 E C 1.902 178.406 176.600 -0.160 0.000 0.991 160 E CA 1.210 57.577 56.400 -0.055 0.000 0.799 160 E CB -0.311 29.404 29.700 0.025 0.000 0.748 160 E HN 0.613 nan 8.360 nan 0.000 0.449 161 L N 0.495 121.551 121.223 -0.279 0.000 2.191 161 L HA -0.135 4.205 4.340 0.001 0.000 0.212 161 L C 2.311 179.045 176.870 -0.227 0.000 1.103 161 L CA 0.733 55.377 54.840 -0.327 0.000 0.769 161 L CB -0.315 41.563 42.059 -0.301 0.000 0.908 161 L HN 0.136 nan 8.230 nan 0.000 0.438 162 A N -0.539 122.224 122.820 -0.095 0.000 2.235 162 A HA -0.118 4.203 4.320 0.001 0.000 0.208 162 A C 1.035 178.618 177.584 -0.002 0.000 1.172 162 A CA 0.571 52.606 52.037 -0.002 0.000 0.786 162 A CB -0.568 18.436 19.000 0.007 0.000 0.804 162 A HN 0.600 nan 8.150 nan 0.000 0.479 163 N N -0.898 117.770 118.700 -0.052 0.000 2.725 163 N HA -0.160 4.580 4.740 0.001 0.000 0.251 163 N C -0.541 174.971 175.510 0.005 0.000 1.031 163 N CA 0.596 53.628 53.050 -0.030 0.000 0.720 163 N CB -2.011 36.466 38.487 -0.017 0.000 0.930 163 N HN 0.548 nan 8.380 nan 0.000 0.543 164 I N 0.285 120.856 120.570 0.002 0.000 2.588 164 I HA 0.021 4.192 4.170 0.001 0.000 0.283 164 I C 0.932 177.057 176.117 0.014 0.000 1.119 164 I CA 0.199 61.506 61.300 0.011 0.000 1.419 164 I CB 0.513 38.515 38.000 0.003 0.000 1.394 164 I HN 0.044 nan 8.210 nan 0.000 0.562 165 K N 5.180 125.591 120.400 0.018 0.000 2.295 165 K HA 0.459 4.780 4.320 0.001 0.000 0.239 165 K C -0.816 175.793 176.600 0.014 0.000 0.991 165 K CA -1.306 54.991 56.287 0.016 0.000 0.845 165 K CB 1.614 34.125 32.500 0.018 0.000 1.197 165 K HN 0.293 nan 8.250 nan 0.000 0.441 166 L N 1.405 122.636 121.223 0.012 0.000 2.584 166 L HA 0.112 4.452 4.340 0.001 0.000 0.272 166 L C 1.116 177.990 176.870 0.007 0.000 1.195 166 L CA 1.989 56.835 54.840 0.009 0.000 0.920 166 L CB -0.544 41.520 42.059 0.009 0.000 1.173 166 L HN 0.965 nan 8.230 nan 0.000 0.489 167 G N 2.439 111.241 108.800 0.003 0.000 2.179 167 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 167 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 167 G C 0.273 175.178 174.900 0.009 0.000 0.977 167 G CA 0.164 45.266 45.100 0.002 0.000 0.641 167 G HN 0.665 nan 8.290 nan 0.000 0.533 168 D N 1.235 121.643 120.400 0.015 0.000 2.472 168 D HA 0.389 5.030 4.640 0.001 0.000 0.237 168 D C 0.813 177.132 176.300 0.032 0.000 1.141 168 D CA 0.845 54.862 54.000 0.027 0.000 0.875 168 D CB 0.683 41.502 40.800 0.030 0.000 1.192 168 D HN 0.120 nan 8.370 nan 0.000 0.450 169 T N 1.676 116.264 114.554 0.056 0.000 2.749 169 T HA 0.383 4.733 4.350 0.001 0.000 0.295 169 T C 0.059 174.830 174.700 0.118 0.000 0.936 169 T CA -0.530 61.626 62.100 0.093 0.000 1.060 169 T CB 0.759 69.714 68.868 0.145 0.000 0.904 169 T HN -0.023 nan 8.240 nan 0.000 0.500 170 V N 2.683 122.672 119.914 0.125 0.000 2.680 170 V HA 0.491 4.612 4.120 0.001 0.000 0.309 170 V C -0.119 176.088 176.094 0.189 0.000 1.052 170 V CA -0.984 61.384 62.300 0.113 0.000 0.908 170 V CB 2.010 33.863 31.823 0.050 0.000 1.001 170 V HN 1.037 nan 8.190 nan 0.000 0.431 171 C N 5.074 124.460 119.300 0.143 0.000 2.322 171 C HA 0.776 5.237 4.460 0.001 0.000 0.324 171 C C -0.234 174.796 174.990 0.067 0.000 1.284 171 C CA -0.253 58.850 59.018 0.142 0.000 1.606 171 C CB 0.525 28.300 27.740 0.059 0.000 2.251 171 C HN 0.708 nan 8.230 nan 0.000 0.502 172 V N 8.203 128.156 119.914 0.065 0.000 2.347 172 V HA 0.380 4.500 4.120 0.001 0.000 0.280 172 V C 0.131 176.240 176.094 0.024 0.000 1.021 172 V CA -0.151 62.164 62.300 0.024 0.000 0.847 172 V CB 1.176 33.007 31.823 0.013 0.000 0.990 172 V HN 0.732 nan 8.190 nan 0.000 0.444 173 I N 4.948 125.515 120.570 -0.005 0.000 2.291 173 I HA 0.660 4.831 4.170 0.001 0.000 0.290 173 I C 0.791 176.903 176.117 -0.007 0.000 1.050 173 I CA 0.032 61.326 61.300 -0.010 0.000 1.245 173 I CB 0.917 38.890 38.000 -0.045 0.000 1.405 173 I HN 0.862 nan 8.210 nan 0.000 0.478 174 G N 6.803 115.613 108.800 0.016 0.000 3.367 174 G HA2 -0.084 3.877 3.960 0.001 0.000 0.686 174 G HA3 -0.084 3.877 3.960 0.001 0.000 0.686 174 G C -0.557 174.361 174.900 0.031 0.000 1.146 174 G CA -0.701 44.413 45.100 0.023 0.000 0.913 174 G HN 0.875 nan 8.290 nan 0.000 0.554 175 I N 0.810 121.405 120.570 0.042 0.000 2.979 175 I HA 0.576 4.747 4.170 0.001 0.000 0.337 175 I C 0.924 177.072 176.117 0.051 0.000 1.453 175 I CA -0.296 61.031 61.300 0.046 0.000 0.891 175 I CB 0.376 38.406 38.000 0.050 0.000 1.887 175 I HN 0.725 nan 8.210 nan 0.000 0.546 176 G N 2.571 111.400 108.800 0.048 0.000 2.583 176 G HA2 0.246 4.207 3.960 0.001 0.000 0.275 176 G HA3 0.246 4.207 3.960 0.001 0.000 0.275 176 G C -1.214 173.721 174.900 0.058 0.000 1.342 176 G CA -0.562 44.570 45.100 0.053 0.000 1.030 176 G HN 0.239 nan 8.290 nan 0.000 0.520 177 P HA -0.107 nan 4.420 nan 0.000 0.215 177 P C 2.054 179.385 177.300 0.052 0.000 1.153 177 P CA 0.971 64.113 63.100 0.069 0.000 0.853 177 P CB -0.052 31.693 31.700 0.075 0.000 0.788 178 V N 0.726 120.671 119.914 0.051 0.000 2.295 178 V HA -0.166 3.954 4.120 0.001 0.000 0.246 178 V C 2.901 179.008 176.094 0.022 0.000 1.049 178 V CA 2.548 64.876 62.300 0.046 0.000 1.024 178 V CB -1.954 29.903 31.823 0.056 0.000 0.648 178 V HN 0.175 nan 8.190 nan 0.000 0.447 179 G N -0.456 108.357 108.800 0.022 0.000 2.422 179 G HA2 -0.199 3.761 3.960 0.001 0.000 0.218 179 G HA3 -0.199 3.761 3.960 0.001 0.000 0.218 179 G C 1.597 176.492 174.900 -0.009 0.000 1.146 179 G CA 0.853 45.957 45.100 0.006 0.000 0.769 179 G HN 0.463 nan 8.290 nan 0.000 0.547 180 L N -0.012 121.217 121.223 0.009 0.000 2.046 180 L HA -0.063 4.278 4.340 0.001 0.000 0.208 180 L C 3.034 179.798 176.870 -0.176 0.000 1.077 180 L CA 0.736 55.580 54.840 0.006 0.000 0.747 180 L CB -0.300 41.828 42.059 0.115 0.000 0.896 180 L HN 0.149 nan 8.230 nan 0.000 0.432 181 M N -0.909 118.599 119.600 -0.152 0.000 2.229 181 M HA -0.135 4.346 4.480 0.001 0.000 0.264 181 M C 2.442 178.581 176.300 -0.267 0.000 1.063 181 M CA 1.339 56.540 55.300 -0.165 0.000 1.114 181 M CB -1.010 31.623 32.600 0.054 0.000 1.387 181 M HN 0.163 nan 8.290 nan 0.000 0.420 182 S N 0.325 115.923 115.700 -0.170 0.000 2.383 182 S HA -0.063 4.407 4.470 0.001 0.000 0.227 182 S C 2.141 176.615 174.600 -0.210 0.000 1.026 182 S CA 0.888 58.970 58.200 -0.196 0.000 0.981 182 S CB -0.259 62.888 63.200 -0.089 0.000 0.818 182 S HN 0.264 nan 8.310 nan 0.000 0.472 183 V N 2.133 121.962 119.914 -0.141 0.000 2.295 183 V HA -0.214 3.907 4.120 0.001 0.000 0.246 183 V C 2.691 178.707 176.094 -0.131 0.000 1.049 183 V CA 1.766 64.013 62.300 -0.088 0.000 1.024 183 V CB -1.236 30.589 31.823 0.005 0.000 0.648 183 V HN 0.541 nan 8.190 nan 0.000 0.447 184 A N 0.485 123.175 122.820 -0.217 0.000 1.908 184 A HA -0.125 4.195 4.320 0.001 0.000 0.218 184 A C 2.422 179.826 177.584 -0.301 0.000 1.181 184 A CA 2.079 54.020 52.037 -0.160 0.000 0.627 184 A CB -1.290 17.555 19.000 -0.258 0.000 0.818 184 A HN 0.540 nan 8.150 nan 0.000 0.445 185 G N -0.514 107.729 108.800 -0.928 0.000 2.421 185 G HA2 -0.023 3.938 3.960 0.001 0.000 0.216 185 G HA3 -0.023 3.938 3.960 0.001 0.000 0.216 185 G C 1.785 176.473 174.900 -0.354 0.000 1.171 185 G CA 1.582 45.988 45.100 -1.156 0.000 0.775 185 G HN 0.838 nan 8.290 nan 0.000 0.543 186 A N 1.132 123.806 122.820 -0.243 0.000 1.908 186 A HA -0.179 4.142 4.320 0.001 0.000 0.218 186 A C 2.241 179.785 177.584 -0.067 0.000 1.181 186 A CA 2.234 54.206 52.037 -0.109 0.000 0.627 186 A CB -0.640 18.313 19.000 -0.079 0.000 0.818 186 A HN 0.422 nan 8.150 nan 0.000 0.445 187 N N -0.496 118.157 118.700 -0.078 0.000 2.069 187 N HA -0.178 4.563 4.740 0.001 0.000 0.191 187 N C 1.617 177.059 175.510 -0.114 0.000 1.031 187 N CA 1.742 54.736 53.050 -0.093 0.000 0.852 187 N CB -0.567 37.859 38.487 -0.100 0.000 1.018 187 N HN 0.648 nan 8.380 nan 0.000 0.423 188 H N -0.380 118.685 119.070 -0.009 0.000 2.491 188 H HA 0.051 4.607 4.556 0.001 0.000 0.290 188 H C 1.061 176.421 175.328 0.054 0.000 1.050 188 H CA 0.699 56.786 56.048 0.065 0.000 1.309 188 H CB 0.343 30.223 29.762 0.195 0.000 1.392 188 H HN 0.259 nan 8.280 nan 0.000 0.554 189 L N -0.602 120.680 121.223 0.098 0.000 2.700 189 L HA 0.209 4.549 4.340 0.001 0.000 0.234 189 L C 1.242 178.131 176.870 0.032 0.000 1.156 189 L CA 0.394 55.274 54.840 0.067 0.000 0.946 189 L CB 0.665 42.751 42.059 0.046 0.000 1.216 189 L HN 0.299 nan 8.230 nan 0.000 0.493 190 G N -0.013 108.796 108.800 0.014 0.000 2.144 190 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 190 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 190 G C 0.422 175.317 174.900 -0.008 0.000 0.988 190 G CA -0.148 44.953 45.100 0.002 0.000 0.659 190 G HN 0.446 nan 8.290 nan 0.000 0.522 191 A N 0.049 122.860 122.820 -0.015 0.000 2.520 191 A HA 0.654 4.975 4.320 0.001 0.000 0.235 191 A C 1.566 179.135 177.584 -0.025 0.000 1.065 191 A CA 1.521 53.549 52.037 -0.016 0.000 0.764 191 A CB 0.291 19.279 19.000 -0.020 0.000 1.002 191 A HN 1.568 nan 8.150 nan 0.000 0.502 192 G N 0.723 109.511 108.800 -0.021 0.000 2.672 192 G HA2 0.214 4.175 3.960 0.001 0.000 0.200 192 G HA3 0.214 4.175 3.960 0.001 0.000 0.200 192 G C 0.690 175.555 174.900 -0.057 0.000 1.819 192 G CA -0.038 45.042 45.100 -0.033 0.000 0.902 192 G HN 0.888 nan 8.290 nan 0.000 0.512 193 R N 0.147 120.605 120.500 -0.070 0.000 2.491 193 R HA 0.380 4.721 4.340 0.001 0.000 0.283 193 R C -0.873 175.336 176.300 -0.152 0.000 1.072 193 R CA 0.060 56.068 56.100 -0.153 0.000 1.048 193 R CB 0.067 30.253 30.300 -0.191 0.000 0.983 193 R HN 0.246 nan 8.270 nan 0.000 0.450 194 I N 5.636 126.079 120.570 -0.213 0.000 2.439 194 I HA 0.227 4.397 4.170 0.001 0.000 0.283 194 I C -0.853 175.154 176.117 -0.184 0.000 1.023 194 I CA -0.634 60.596 61.300 -0.116 0.000 1.100 194 I CB 1.298 39.265 38.000 -0.055 0.000 1.238 194 I HN 0.488 nan 8.210 nan 0.000 0.445 195 F N 4.687 124.637 119.950 -0.001 0.000 2.396 195 F HA 0.617 5.144 4.527 0.001 0.000 0.343 195 F C 0.714 176.515 175.800 0.003 0.000 1.104 195 F CA -0.360 57.642 58.000 0.003 0.000 1.161 195 F CB 1.344 40.347 39.000 0.005 0.000 1.146 195 F HN 0.426 nan 8.300 nan 0.000 0.522 196 A N 3.153 126.082 122.820 0.181 0.000 2.319 196 A HA 0.692 5.013 4.320 0.001 0.000 0.310 196 A C -1.195 176.456 177.584 0.112 0.000 1.152 196 A CA -0.674 51.430 52.037 0.112 0.000 0.783 196 A CB 0.887 19.928 19.000 0.069 0.000 1.184 196 A HN 0.518 nan 8.150 nan 0.000 0.474 197 V N 2.629 122.597 119.914 0.090 0.000 2.348 197 V HA 0.727 4.847 4.120 0.001 0.000 0.270 197 V C 0.762 176.905 176.094 0.081 0.000 1.037 197 V CA 0.772 63.122 62.300 0.083 0.000 0.872 197 V CB 0.577 32.436 31.823 0.060 0.000 1.002 197 V HN 1.341 nan 8.190 nan 0.000 0.464 198 G N 2.953 111.811 108.800 0.096 0.000 2.523 198 G HA2 0.516 4.476 3.960 0.001 0.000 0.291 198 G HA3 0.516 4.476 3.960 0.001 0.000 0.291 198 G C -0.139 174.826 174.900 0.109 0.000 1.450 198 G CA 0.224 45.384 45.100 0.100 0.000 0.790 198 G HN 0.763 nan 8.290 nan 0.000 0.496 199 S N -1.364 114.406 115.700 0.116 0.000 2.661 199 S HA 0.272 4.743 4.470 0.001 0.000 0.275 199 S C 0.498 175.142 174.600 0.072 0.000 1.075 199 S CA -0.309 57.947 58.200 0.094 0.000 1.251 199 S CB 0.363 63.660 63.200 0.162 0.000 1.167 199 S HN 0.532 nan 8.310 nan 0.000 0.648 200 R N 2.200 122.749 120.500 0.081 0.000 2.267 200 R HA 0.346 4.686 4.340 0.001 0.000 0.319 200 R C 1.067 177.410 176.300 0.071 0.000 1.067 200 R CA -0.275 55.870 56.100 0.076 0.000 0.936 200 R CB 0.958 31.308 30.300 0.084 0.000 1.006 200 R HN 0.295 nan 8.270 nan 0.000 0.452 201 K N 1.693 122.135 120.400 0.070 0.000 2.044 201 K HA -0.288 4.033 4.320 0.001 0.000 0.210 201 K C 1.666 178.324 176.600 0.096 0.000 1.049 201 K CA 1.842 58.170 56.287 0.068 0.000 0.927 201 K CB -0.058 32.480 32.500 0.062 0.000 0.713 201 K HN 0.526 nan 8.250 nan 0.000 0.443 202 H N -0.027 119.056 119.070 0.021 0.000 2.389 202 H HA -0.064 4.492 4.556 0.001 0.000 0.299 202 H C 1.954 177.299 175.328 0.028 0.000 1.081 202 H CA 1.887 57.946 56.048 0.018 0.000 1.345 202 H CB -0.437 29.337 29.762 0.020 0.000 1.393 202 H HN 0.309 nan 8.280 nan 0.000 0.520 203 C N -0.780 118.511 119.300 -0.015 0.000 2.429 203 C HA -0.133 4.328 4.460 0.001 0.000 0.277 203 C C 3.158 178.122 174.990 -0.044 0.000 1.262 203 C CA 0.864 59.852 59.018 -0.050 0.000 1.733 203 C CB -1.117 26.642 27.740 0.032 0.000 2.010 203 C HN 0.731 nan 8.230 nan 0.000 0.483 204 C N 0.576 119.871 119.300 -0.009 0.000 2.429 204 C HA -0.112 4.349 4.460 0.001 0.000 0.277 204 C C 2.350 177.322 174.990 -0.030 0.000 1.262 204 C CA 1.162 60.179 59.018 -0.001 0.000 1.733 204 C CB -1.288 26.462 27.740 0.018 0.000 2.010 204 C HN 0.587 nan 8.230 nan 0.000 0.483 205 D N 1.001 121.368 120.400 -0.056 0.000 2.117 205 D HA -0.079 4.562 4.640 0.001 0.000 0.197 205 D C 2.007 178.227 176.300 -0.133 0.000 0.987 205 D CA 1.082 55.038 54.000 -0.075 0.000 0.829 205 D CB -0.306 40.467 40.800 -0.045 0.000 0.961 205 D HN 0.289 nan 8.370 nan 0.000 0.460 206 I N 1.091 121.531 120.570 -0.216 0.000 2.394 206 I HA -0.132 4.038 4.170 0.001 0.000 0.251 206 I C 2.430 178.494 176.117 -0.089 0.000 1.136 206 I CA 0.454 61.619 61.300 -0.225 0.000 1.425 206 I CB -1.327 36.521 38.000 -0.254 0.000 1.079 206 I HN -0.132 nan 8.210 nan 0.000 0.425 207 A N 1.150 123.967 122.820 -0.004 0.000 1.908 207 A HA -0.169 4.152 4.320 0.001 0.000 0.218 207 A C 2.404 180.010 177.584 0.038 0.000 1.181 207 A CA 1.339 53.419 52.037 0.071 0.000 0.627 207 A CB -0.833 18.197 19.000 0.050 0.000 0.818 207 A HN 0.400 nan 8.150 nan 0.000 0.445 208 L N -0.659 120.554 121.223 -0.016 0.000 2.083 208 L HA -0.208 4.132 4.340 0.001 0.000 0.209 208 L C 2.537 179.379 176.870 -0.047 0.000 1.083 208 L CA 1.605 56.428 54.840 -0.029 0.000 0.752 208 L CB -0.638 41.399 42.059 -0.038 0.000 0.899 208 L HN 0.480 nan 8.230 nan 0.000 0.433 209 E N -0.745 119.390 120.200 -0.109 0.000 2.204 209 E HA -0.205 4.146 4.350 0.001 0.000 0.195 209 E C 1.616 178.121 176.600 -0.159 0.000 0.990 209 E CA 1.083 57.375 56.400 -0.180 0.000 0.821 209 E CB -0.010 29.506 29.700 -0.306 0.000 0.750 209 E HN 0.486 nan 8.360 nan 0.000 0.477 210 Y N -0.621 119.676 120.300 -0.006 0.000 2.490 210 Y HA 0.184 4.735 4.550 0.001 0.000 0.281 210 Y C 1.613 177.505 175.900 -0.013 0.000 1.174 210 Y CA 0.598 58.705 58.100 0.011 0.000 1.295 210 Y CB 1.099 39.572 38.460 0.022 0.000 1.062 210 Y HN 0.125 nan 8.280 nan 0.000 0.522 211 G N -1.124 107.733 108.800 0.095 0.000 2.227 211 G HA2 -0.065 3.895 3.960 0.001 0.000 0.168 211 G HA3 -0.065 3.895 3.960 0.001 0.000 0.168 211 G C 0.326 175.223 174.900 -0.005 0.000 1.006 211 G CA -0.406 44.710 45.100 0.026 0.000 0.684 211 G HN 0.481 nan 8.290 nan 0.000 0.489 212 A N 0.799 123.624 122.820 0.008 0.000 2.540 212 A HA 0.566 4.886 4.320 0.001 0.000 0.239 212 A C 1.607 179.155 177.584 -0.060 0.000 1.061 212 A CA 1.775 53.798 52.037 -0.024 0.000 0.758 212 A CB 0.267 19.268 19.000 0.002 0.000 0.991 212 A HN 1.407 nan 8.150 nan 0.000 0.502 213 T N -1.047 113.436 114.554 -0.118 0.000 3.015 213 T HA 0.255 4.606 4.350 0.001 0.000 0.250 213 T C -0.137 174.470 174.700 -0.156 0.000 1.057 213 T CA 0.881 62.895 62.100 -0.144 0.000 1.066 213 T CB -0.146 68.608 68.868 -0.190 0.000 0.959 213 T HN 0.601 nan 8.240 nan 0.000 0.488 214 D N 0.783 121.077 120.400 -0.176 0.000 2.936 214 D HA 0.470 5.110 4.640 0.001 0.000 0.238 214 D C -1.141 175.177 176.300 0.030 0.000 1.248 214 D CA -0.570 53.368 54.000 -0.104 0.000 0.903 214 D CB 1.620 42.266 40.800 -0.256 0.000 1.544 214 D HN 0.068 nan 8.370 nan 0.000 0.543 215 I N 2.714 123.316 120.570 0.054 0.000 2.331 215 I HA 0.324 4.495 4.170 0.001 0.000 0.292 215 I C -0.297 175.885 176.117 0.107 0.000 0.998 215 I CA -0.596 60.749 61.300 0.076 0.000 1.267 215 I CB 1.044 39.069 38.000 0.042 0.000 1.386 215 I HN 0.396 nan 8.210 nan 0.000 0.476 216 I N 6.172 126.816 120.570 0.124 0.000 2.371 216 I HA 0.231 4.402 4.170 0.001 0.000 0.282 216 I C 0.119 176.286 176.117 0.084 0.000 1.031 216 I CA -0.412 60.953 61.300 0.108 0.000 1.180 216 I CB 0.729 38.794 38.000 0.109 0.000 1.336 216 I HN 0.487 nan 8.210 nan 0.000 0.467 217 N N 5.819 124.549 118.700 0.050 0.000 2.425 217 N HA 0.055 4.796 4.740 0.001 0.000 0.268 217 N C 0.866 176.363 175.510 -0.022 0.000 0.991 217 N CA -0.370 52.688 53.050 0.014 0.000 0.931 217 N CB 1.065 39.522 38.487 -0.050 0.000 1.130 217 N HN 0.468 nan 8.380 nan 0.000 0.493 218 Y N 3.549 123.859 120.300 0.016 0.000 2.365 218 Y HA -0.085 4.466 4.550 0.001 0.000 0.287 218 Y C 1.249 177.155 175.900 0.009 0.000 1.162 218 Y CA 1.286 59.392 58.100 0.010 0.000 1.260 218 Y CB -0.148 38.318 38.460 0.010 0.000 0.976 218 Y HN 0.419 nan 8.280 nan 0.000 0.548 219 K N 0.381 120.316 120.400 -0.777 0.000 2.362 219 K HA -0.077 4.244 4.320 0.001 0.000 0.200 219 K C 0.778 177.261 176.600 -0.195 0.000 1.046 219 K CA 0.956 56.933 56.287 -0.518 0.000 0.952 219 K CB -0.151 32.039 32.500 -0.518 0.000 0.753 219 K HN 0.414 nan 8.250 nan 0.000 0.466 220 N N 0.306 118.929 118.700 -0.129 0.000 2.270 220 N HA 0.069 4.810 4.740 0.001 0.000 0.198 220 N C 0.201 175.700 175.510 -0.019 0.000 1.117 220 N CA 0.464 53.480 53.050 -0.057 0.000 0.845 220 N CB 1.393 39.857 38.487 -0.038 0.000 0.980 220 N HN 0.248 nan 8.380 nan 0.000 0.486 221 G N 0.117 108.916 108.800 -0.002 0.000 2.326 221 G HA2 -0.135 3.826 3.960 0.001 0.000 0.413 221 G HA3 -0.135 3.826 3.960 0.001 0.000 0.413 221 G C -1.574 173.355 174.900 0.048 0.000 1.444 221 G CA -0.963 44.150 45.100 0.022 0.000 1.002 221 G HN 0.066 nan 8.290 nan 0.000 0.649 222 D N 0.205 120.630 120.400 0.042 0.000 2.531 222 D HA 0.022 4.663 4.640 0.001 0.000 0.239 222 D C 2.095 178.412 176.300 0.029 0.000 1.144 222 D CA 0.538 54.563 54.000 0.042 0.000 0.869 222 D CB 0.561 41.374 40.800 0.021 0.000 1.160 222 D HN 0.651 nan 8.370 nan 0.000 0.484 223 I N 1.700 122.292 120.570 0.038 0.000 2.394 223 I HA -0.207 3.964 4.170 0.001 0.000 0.251 223 I C 1.836 177.933 176.117 -0.033 0.000 1.136 223 I CA 0.414 61.724 61.300 0.016 0.000 1.425 223 I CB -0.199 37.822 38.000 0.034 0.000 1.079 223 I HN 0.180 nan 8.210 nan 0.000 0.425 224 V N 1.734 121.631 119.914 -0.028 0.000 2.307 224 V HA -0.205 3.915 4.120 0.001 0.000 0.245 224 V C 2.587 178.648 176.094 -0.055 0.000 1.045 224 V CA 2.154 64.424 62.300 -0.049 0.000 1.024 224 V CB -0.814 30.993 31.823 -0.026 0.000 0.651 224 V HN 0.458 nan 8.190 nan 0.000 0.449 225 E N -0.259 119.923 120.200 -0.031 0.000 2.110 225 E HA -0.257 4.094 4.350 0.001 0.000 0.193 225 E C 2.335 178.913 176.600 -0.036 0.000 0.988 225 E CA 1.214 57.599 56.400 -0.027 0.000 0.804 225 E CB -0.150 29.544 29.700 -0.010 0.000 0.745 225 E HN 0.664 nan 8.360 nan 0.000 0.458 226 Q N 0.292 120.069 119.800 -0.038 0.000 2.084 226 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 226 Q C 2.282 178.226 176.000 -0.094 0.000 0.978 226 Q CA 1.102 56.883 55.803 -0.038 0.000 0.844 226 Q CB -0.080 28.648 28.738 -0.016 0.000 0.898 226 Q HN 0.352 nan 8.270 nan 0.000 0.426 227 I N 0.493 120.949 120.570 -0.191 0.000 2.315 227 I HA -0.265 3.905 4.170 0.001 0.000 0.248 227 I C 2.111 178.083 176.117 -0.243 0.000 1.117 227 I CA 0.863 61.924 61.300 -0.399 0.000 1.404 227 I CB -0.145 37.544 38.000 -0.518 0.000 1.071 227 I HN 0.183 nan 8.210 nan 0.000 0.419 228 L N 0.579 121.722 121.223 -0.134 0.000 2.046 228 L HA -0.235 4.106 4.340 0.001 0.000 0.208 228 L C 2.626 179.474 176.870 -0.036 0.000 1.077 228 L CA 1.452 56.249 54.840 -0.071 0.000 0.747 228 L CB -0.617 41.415 42.059 -0.045 0.000 0.896 228 L HN 0.219 nan 8.230 nan 0.000 0.432 229 K N 0.555 120.938 120.400 -0.028 0.000 2.063 229 K HA -0.193 4.127 4.320 0.001 0.000 0.208 229 K C 2.076 178.691 176.600 0.025 0.000 1.048 229 K CA 1.464 57.751 56.287 0.000 0.000 0.928 229 K CB -0.103 32.400 32.500 0.005 0.000 0.713 229 K HN 0.269 nan 8.250 nan 0.000 0.442 230 A N 0.345 123.187 122.820 0.036 0.000 2.067 230 A HA -0.081 4.240 4.320 0.001 0.000 0.219 230 A C 1.742 179.416 177.584 0.150 0.000 1.158 230 A CA 1.749 53.861 52.037 0.126 0.000 0.661 230 A CB -0.460 18.698 19.000 0.264 0.000 0.801 230 A HN 0.569 nan 8.150 nan 0.000 0.452 231 T N -4.239 110.365 114.554 0.083 0.000 3.176 231 T HA 0.274 4.625 4.350 0.001 0.000 0.263 231 T C -0.182 174.545 174.700 0.045 0.000 1.021 231 T CA 0.337 62.487 62.100 0.084 0.000 0.905 231 T CB -0.086 68.818 68.868 0.060 0.000 1.057 231 T HN 0.324 nan 8.240 nan 0.000 0.558 232 D N 1.454 121.876 120.400 0.036 0.000 2.751 232 D HA -0.178 4.463 4.640 0.001 0.000 0.233 232 D C 1.355 177.664 176.300 0.014 0.000 1.149 232 D CA 1.665 55.679 54.000 0.023 0.000 0.682 232 D CB -1.666 39.149 40.800 0.026 0.000 1.068 232 D HN 0.955 nan 8.370 nan 0.000 0.429 233 G N -0.607 108.197 108.800 0.006 0.000 2.179 233 G HA2 -0.439 3.522 3.960 0.001 0.000 0.260 233 G HA3 -0.439 3.522 3.960 0.001 0.000 0.260 233 G C 1.128 176.028 174.900 0.000 0.000 0.977 233 G CA 0.868 45.968 45.100 -0.000 0.000 0.641 233 G HN 0.505 nan 8.290 nan 0.000 0.533 234 K N 0.384 120.788 120.400 0.007 0.000 2.228 234 K HA 0.405 4.725 4.320 0.001 0.000 0.202 234 K C 1.644 178.248 176.600 0.006 0.000 1.051 234 K CA 0.744 57.037 56.287 0.010 0.000 0.960 234 K CB -0.021 32.492 32.500 0.022 0.000 0.743 234 K HN 1.540 nan 8.250 nan 0.000 0.458 235 G N 1.003 109.799 108.800 -0.007 0.000 2.760 235 G HA2 -0.228 3.733 3.960 0.001 0.000 0.246 235 G HA3 -0.228 3.733 3.960 0.001 0.000 0.246 235 G C -0.310 174.591 174.900 0.002 0.000 1.359 235 G CA -0.443 44.644 45.100 -0.023 0.000 0.861 235 G HN 0.246 nan 8.290 nan 0.000 0.541 236 V N -2.457 117.455 119.914 -0.004 0.000 2.837 236 V HA 0.719 4.839 4.120 0.001 0.000 0.310 236 V C 1.059 177.183 176.094 0.050 0.000 1.059 236 V CA 0.515 62.843 62.300 0.046 0.000 1.004 236 V CB 1.825 33.676 31.823 0.047 0.000 1.045 236 V HN 0.734 nan 8.190 nan 0.000 0.465 237 D N 0.792 121.232 120.400 0.066 0.000 2.137 237 D HA 0.067 4.707 4.640 0.001 0.000 0.202 237 D C 0.305 176.644 176.300 0.065 0.000 0.970 237 D CA 1.344 55.380 54.000 0.059 0.000 0.837 237 D CB 0.281 41.114 40.800 0.056 0.000 0.981 237 D HN 0.531 nan 8.370 nan 0.000 0.475 238 K N 0.232 120.672 120.400 0.066 0.000 2.532 238 K HA 0.517 4.838 4.320 0.001 0.000 0.265 238 K C -0.967 175.667 176.600 0.056 0.000 0.948 238 K CA -0.740 55.588 56.287 0.067 0.000 0.842 238 K CB 3.180 35.716 32.500 0.059 0.000 1.392 238 K HN -0.249 nan 8.250 nan 0.000 0.436 239 V N 1.326 121.270 119.914 0.050 0.000 2.638 239 V HA 0.426 4.547 4.120 0.001 0.000 0.306 239 V C -0.614 175.484 176.094 0.007 0.000 1.052 239 V CA -0.994 61.320 62.300 0.022 0.000 0.885 239 V CB 2.246 34.071 31.823 0.003 0.000 0.999 239 V HN 0.464 nan 8.190 nan 0.000 0.424 240 V N 5.686 125.592 119.914 -0.013 0.000 2.398 240 V HA 0.515 4.636 4.120 0.001 0.000 0.286 240 V C -0.175 175.882 176.094 -0.063 0.000 1.026 240 V CA -0.447 61.834 62.300 -0.032 0.000 0.868 240 V CB 1.764 33.568 31.823 -0.032 0.000 0.982 240 V HN 0.672 nan 8.190 nan 0.000 0.443 241 I N 3.947 124.454 120.570 -0.104 0.000 2.312 241 I HA 0.548 4.718 4.170 0.001 0.000 0.290 241 I C 0.708 176.779 176.117 -0.077 0.000 1.008 241 I CA -0.141 61.067 61.300 -0.152 0.000 1.226 241 I CB 1.627 39.409 38.000 -0.364 0.000 1.371 241 I HN 0.724 nan 8.210 nan 0.000 0.468 242 A N 4.851 127.646 122.820 -0.042 0.000 2.609 242 A HA 0.751 5.071 4.320 0.001 0.000 0.286 242 A C 0.417 178.014 177.584 0.021 0.000 1.138 242 A CA 0.056 52.094 52.037 0.002 0.000 0.960 242 A CB 0.332 19.335 19.000 0.005 0.000 1.208 242 A HN 0.828 nan 8.150 nan 0.000 0.541 243 G N -2.695 106.108 108.800 0.006 0.000 2.428 243 G HA2 0.634 4.595 3.960 0.001 0.000 0.304 243 G HA3 0.634 4.595 3.960 0.001 0.000 0.304 243 G C 0.231 175.136 174.900 0.008 0.000 1.303 243 G CA 0.450 45.566 45.100 0.026 0.000 0.825 243 G HN 1.884 nan 8.290 nan 0.000 0.484 244 G N -0.211 108.601 108.800 0.020 0.000 2.484 244 G HA2 0.445 4.406 3.960 0.001 0.000 0.225 244 G HA3 0.445 4.406 3.960 0.001 0.000 0.225 244 G C -0.369 174.547 174.900 0.027 0.000 1.250 244 G CA 1.103 46.210 45.100 0.013 0.000 0.926 244 G HN 2.241 nan 8.290 nan 0.000 0.581 245 D N -2.626 117.793 120.400 0.032 0.000 2.895 245 D HA 0.545 5.186 4.640 0.001 0.000 0.320 245 D C 1.600 177.915 176.300 0.025 0.000 1.249 245 D CA 1.084 55.092 54.000 0.012 0.000 0.997 245 D CB 0.482 41.282 40.800 -0.000 0.000 1.430 245 D HN 1.578 nan 8.370 nan 0.000 0.558 246 V N -2.005 117.842 119.914 -0.112 0.000 2.867 246 V HA -0.111 4.009 4.120 0.001 0.000 0.260 246 V C 1.112 177.124 176.094 -0.136 0.000 1.099 246 V CA 1.380 63.586 62.300 -0.158 0.000 1.122 246 V CB -1.131 30.494 31.823 -0.329 0.000 0.708 246 V HN 0.522 nan 8.190 nan 0.000 0.490 247 H N 0.244 119.371 119.070 0.096 0.000 2.539 247 H HA 0.187 4.744 4.556 0.001 0.000 0.269 247 H C 2.156 177.537 175.328 0.089 0.000 0.980 247 H CA 1.055 57.147 56.048 0.073 0.000 1.152 247 H CB -0.033 29.743 29.762 0.023 0.000 1.407 247 H HN 0.498 nan 8.280 nan 0.000 0.564 248 T N 0.695 115.357 114.554 0.180 0.000 2.995 248 T HA -0.073 4.278 4.350 0.001 0.000 0.269 248 T C 1.631 176.336 174.700 0.009 0.000 1.091 248 T CA 0.593 62.725 62.100 0.053 0.000 1.128 248 T CB -0.279 68.562 68.868 -0.045 0.000 0.891 248 T HN 0.154 nan 8.240 nan 0.000 0.492 249 F N 1.885 121.831 119.950 -0.007 0.000 2.186 249 F HA 0.091 4.619 4.527 0.001 0.000 0.299 249 F C 2.607 178.398 175.800 -0.015 0.000 1.090 249 F CA 0.496 58.483 58.000 -0.022 0.000 1.307 249 F CB -0.860 38.103 39.000 -0.060 0.000 1.019 249 F HN 0.139 nan 8.300 nan 0.000 0.489 250 A N -0.298 122.628 122.820 0.175 0.000 1.933 250 A HA -0.228 4.093 4.320 0.001 0.000 0.218 250 A C 2.149 179.772 177.584 0.064 0.000 1.175 250 A CA 1.605 53.700 52.037 0.097 0.000 0.628 250 A CB -0.729 18.322 19.000 0.085 0.000 0.814 250 A HN 0.454 nan 8.150 nan 0.000 0.444 251 Q N -0.611 119.218 119.800 0.048 0.000 2.079 251 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 251 Q C 2.459 178.461 176.000 0.003 0.000 0.974 251 Q CA 1.319 57.132 55.803 0.016 0.000 0.840 251 Q CB -0.408 28.332 28.738 0.002 0.000 0.898 251 Q HN 0.676 nan 8.270 nan 0.000 0.430 252 A N 0.525 123.338 122.820 -0.011 0.000 1.908 252 A HA -0.160 4.160 4.320 0.001 0.000 0.218 252 A C 2.353 179.958 177.584 0.035 0.000 1.181 252 A CA 1.495 53.523 52.037 -0.015 0.000 0.627 252 A CB -0.798 18.162 19.000 -0.066 0.000 0.818 252 A HN 0.220 nan 8.150 nan 0.000 0.445 253 V N 0.041 120.000 119.914 0.075 0.000 2.407 253 V HA -0.256 3.864 4.120 0.001 0.000 0.248 253 V C 2.372 178.519 176.094 0.089 0.000 1.055 253 V CA 2.351 64.726 62.300 0.125 0.000 1.049 253 V CB -0.628 31.295 31.823 0.167 0.000 0.662 253 V HN 0.561 nan 8.190 nan 0.000 0.455 254 K N 0.264 120.698 120.400 0.056 0.000 2.217 254 K HA -0.044 4.277 4.320 0.001 0.000 0.202 254 K C 1.982 178.589 176.600 0.010 0.000 1.051 254 K CA 1.516 57.823 56.287 0.034 0.000 0.952 254 K CB -0.138 32.376 32.500 0.023 0.000 0.736 254 K HN 0.634 nan 8.250 nan 0.000 0.453 255 M N -0.742 118.856 119.600 -0.003 0.000 2.509 255 M HA 0.235 4.716 4.480 0.001 0.000 0.250 255 M C 0.611 176.897 176.300 -0.023 0.000 1.132 255 M CA 0.531 55.810 55.300 -0.035 0.000 1.080 255 M CB 0.340 32.896 32.600 -0.074 0.000 1.408 255 M HN -0.096 nan 8.290 nan 0.000 0.484 256 I N 1.998 122.574 120.570 0.010 0.000 2.498 256 I HA 0.321 4.492 4.170 0.001 0.000 0.301 256 I C -0.194 175.938 176.117 0.025 0.000 0.984 256 I CA -0.792 60.522 61.300 0.024 0.000 1.204 256 I CB 1.409 39.438 38.000 0.048 0.000 1.362 256 I HN 0.177 nan 8.210 nan 0.000 0.471 257 K N 7.036 127.450 120.400 0.024 0.000 2.319 257 K HA 0.207 4.528 4.320 0.001 0.000 0.265 257 K C -2.293 174.314 176.600 0.012 0.000 1.000 257 K CA -1.125 55.172 56.287 0.017 0.000 0.943 257 K CB -0.018 32.494 32.500 0.021 0.000 0.950 257 K HN 0.381 nan 8.250 nan 0.000 0.485 258 P HA -0.024 nan 4.420 nan 0.000 0.271 258 P C -0.165 177.130 177.300 -0.008 0.000 1.218 258 P CA 0.175 63.262 63.100 -0.022 0.000 0.780 258 P CB 0.486 32.170 31.700 -0.027 0.000 0.901 259 G N 1.061 109.857 108.800 -0.008 0.000 2.587 259 G HA2 0.068 4.029 3.960 0.001 0.000 0.274 259 G HA3 0.068 4.029 3.960 0.001 0.000 0.274 259 G C -0.121 174.821 174.900 0.070 0.000 1.046 259 G CA 0.129 45.241 45.100 0.019 0.000 1.308 259 G HN 0.934 nan 8.290 nan 0.000 0.529 260 S N -0.290 115.480 115.700 0.118 0.000 2.661 260 S HA 0.795 5.266 4.470 0.001 0.000 0.268 260 S C -1.330 173.424 174.600 0.257 0.000 1.162 260 S CA -0.483 57.809 58.200 0.154 0.000 0.817 260 S CB 2.162 65.418 63.200 0.093 0.000 1.141 260 S HN 0.417 nan 8.310 nan 0.000 0.477 261 D N -0.131 120.409 120.400 0.233 0.000 2.879 261 D HA 0.609 5.249 4.640 0.001 0.000 0.236 261 D C -1.277 175.160 176.300 0.229 0.000 1.171 261 D CA -0.293 53.893 54.000 0.310 0.000 0.868 261 D CB 1.733 42.731 40.800 0.329 0.000 1.598 261 D HN 0.592 nan 8.370 nan 0.000 0.497 262 I N 1.676 122.395 120.570 0.249 0.000 2.355 262 I HA 0.485 4.655 4.170 0.001 0.000 0.288 262 I C 0.406 176.658 176.117 0.225 0.000 0.999 262 I CA -0.550 60.849 61.300 0.165 0.000 1.163 262 I CB 1.795 39.864 38.000 0.116 0.000 1.316 262 I HN 0.427 nan 8.210 nan 0.000 0.454 263 G N 4.303 113.182 108.800 0.131 0.000 2.468 263 G HA2 0.273 4.234 3.960 0.001 0.000 0.320 263 G HA3 0.273 4.234 3.960 0.001 0.000 0.320 263 G C -0.711 174.209 174.900 0.033 0.000 1.137 263 G CA -0.432 44.728 45.100 0.100 0.000 0.984 263 G HN 0.592 nan 8.290 nan 0.000 0.462 264 N N 1.227 119.973 118.700 0.077 0.000 2.455 264 N HA 0.373 5.114 4.740 0.001 0.000 0.280 264 N C 0.821 176.383 175.510 0.088 0.000 1.055 264 N CA -0.513 52.566 53.050 0.048 0.000 0.961 264 N CB 1.840 40.430 38.487 0.172 0.000 1.121 264 N HN 0.320 nan 8.380 nan 0.000 0.476 265 V N -0.015 119.939 119.914 0.065 0.000 3.432 265 V HA 0.404 4.525 4.120 0.001 0.000 0.298 265 V C 0.340 176.494 176.094 0.101 0.000 1.464 265 V CA -0.632 61.723 62.300 0.093 0.000 1.046 265 V CB -0.797 31.079 31.823 0.088 0.000 0.887 265 V HN 0.563 nan 8.190 nan 0.000 0.441 266 N N 1.929 120.690 118.700 0.103 0.000 2.497 266 N HA 0.109 4.850 4.740 0.001 0.000 0.268 266 N C -0.643 174.986 175.510 0.200 0.000 1.171 266 N CA -0.274 52.856 53.050 0.133 0.000 0.948 266 N CB 0.340 38.882 38.487 0.091 0.000 1.069 266 N HN 0.472 nan 8.380 nan 0.000 0.460 267 Y N 5.257 125.590 120.300 0.055 0.000 2.480 267 Y HA 0.256 4.807 4.550 0.001 0.000 0.341 267 Y C -0.770 175.055 175.900 -0.125 0.000 1.031 267 Y CA -0.996 57.115 58.100 0.019 0.000 1.295 267 Y CB -0.164 38.352 38.460 0.094 0.000 1.162 267 Y HN 0.398 nan 8.280 nan 0.000 0.523 268 L N 6.872 128.210 121.223 0.193 0.000 2.278 268 L HA 0.311 4.652 4.340 0.001 0.000 0.287 268 L C 1.330 178.109 176.870 -0.151 0.000 1.072 268 L CA 0.040 54.856 54.840 -0.040 0.000 0.819 268 L CB 1.026 43.100 42.059 0.026 0.000 1.176 268 L HN 0.900 nan 8.230 nan 0.000 0.435 269 G N 2.815 111.338 108.800 -0.463 0.000 2.744 269 G HA2 0.128 4.089 3.960 0.001 0.000 0.211 269 G HA3 0.128 4.089 3.960 0.001 0.000 0.211 269 G C 0.356 175.180 174.900 -0.127 0.000 1.146 269 G CA 0.080 44.928 45.100 -0.421 0.000 0.787 269 G HN 0.625 nan 8.290 nan 0.000 0.534 270 E N -1.629 118.510 120.200 -0.102 0.000 2.390 270 E HA 0.525 4.875 4.350 0.001 0.000 0.277 270 E C -0.480 176.079 176.600 -0.069 0.000 0.939 270 E CA -0.551 55.818 56.400 -0.052 0.000 0.769 270 E CB 2.446 32.130 29.700 -0.028 0.000 1.251 270 E HN 0.435 nan 8.360 nan 0.000 0.450 271 G N 1.819 110.586 108.800 -0.054 0.000 2.906 271 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 271 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 271 G C -0.323 174.534 174.900 -0.071 0.000 1.170 271 G CA -0.578 44.479 45.100 -0.072 0.000 0.775 271 G HN 0.542 nan 8.290 nan 0.000 0.630 272 D N 0.646 121.011 120.400 -0.058 0.000 2.097 272 D HA -0.029 4.611 4.640 0.001 0.000 0.195 272 D C 1.118 177.368 176.300 -0.084 0.000 0.989 272 D CA 1.534 55.499 54.000 -0.058 0.000 0.827 272 D CB 0.121 40.896 40.800 -0.043 0.000 0.966 272 D HN 0.443 nan 8.370 nan 0.000 0.456 273 N N -0.293 118.346 118.700 -0.101 0.000 2.229 273 N HA 0.350 5.091 4.740 0.001 0.000 0.298 273 N C -0.740 174.662 175.510 -0.181 0.000 1.114 273 N CA -0.524 52.447 53.050 -0.131 0.000 0.776 273 N CB 2.446 40.873 38.487 -0.101 0.000 1.501 273 N HN -0.104 nan 8.380 nan 0.000 0.474 274 I N 1.160 121.585 120.570 -0.242 0.000 2.312 274 I HA 0.139 4.310 4.170 0.001 0.000 0.291 274 I C -0.182 175.791 176.117 -0.240 0.000 1.031 274 I CA -0.361 60.749 61.300 -0.316 0.000 1.293 274 I CB 0.595 38.241 38.000 -0.589 0.000 1.403 274 I HN 0.121 nan 8.210 nan 0.000 0.484 275 D N 7.460 127.784 120.400 -0.126 0.000 2.249 275 D HA 0.366 5.006 4.640 0.001 0.000 0.246 275 D C -0.229 176.015 176.300 -0.093 0.000 1.114 275 D CA -0.147 53.803 54.000 -0.084 0.000 0.854 275 D CB 2.084 42.889 40.800 0.008 0.000 1.132 275 D HN 0.160 nan 8.370 nan 0.000 0.461 276 I N 4.409 124.875 120.570 -0.172 0.000 2.339 276 I HA 0.204 4.375 4.170 0.001 0.000 0.290 276 I C -2.052 173.985 176.117 -0.133 0.000 0.994 276 I CA -2.477 58.688 61.300 -0.226 0.000 1.191 276 I CB 1.082 38.762 38.000 -0.534 0.000 1.343 276 I HN -0.001 nan 8.210 nan 0.000 0.458 277 P HA 0.229 nan 4.420 nan 0.000 0.271 277 P C 0.673 178.017 177.300 0.075 0.000 1.233 277 P CA -0.298 62.814 63.100 0.020 0.000 0.764 277 P CB 1.247 32.972 31.700 0.042 0.000 0.825 278 R N 2.775 123.314 120.500 0.065 0.000 2.073 278 R HA -0.143 4.198 4.340 0.001 0.000 0.234 278 R C 2.147 178.528 176.300 0.135 0.000 1.134 278 R CA 2.111 58.280 56.100 0.116 0.000 0.952 278 R CB -0.594 29.747 30.300 0.069 0.000 0.850 278 R HN 0.480 nan 8.270 nan 0.000 0.433 279 S N 0.312 116.063 115.700 0.085 0.000 2.353 279 S HA -0.168 4.303 4.470 0.001 0.000 0.222 279 S C 1.550 176.198 174.600 0.079 0.000 1.035 279 S CA 1.810 60.049 58.200 0.065 0.000 1.025 279 S CB -0.142 63.083 63.200 0.042 0.000 0.902 279 S HN 0.469 nan 8.310 nan 0.000 0.440 280 E N -0.715 119.543 120.200 0.097 0.000 2.418 280 E HA 0.004 4.355 4.350 0.001 0.000 0.197 280 E C 0.815 177.515 176.600 0.167 0.000 1.026 280 E CA 0.370 56.831 56.400 0.101 0.000 0.862 280 E CB -0.144 29.607 29.700 0.086 0.000 0.799 280 E HN 0.719 nan 8.360 nan 0.000 0.518 281 W N 0.767 122.055 121.300 -0.019 0.000 3.438 281 W HA 0.262 4.922 4.660 0.001 0.000 0.322 281 W C 0.808 177.300 176.519 -0.044 0.000 1.261 281 W CA 0.671 57.997 57.345 -0.032 0.000 1.788 281 W CB -0.032 29.408 29.460 -0.033 0.000 1.065 281 W HN 0.098 nan 8.180 nan 0.000 0.715 282 G N 1.094 109.886 108.800 -0.013 0.000 2.225 282 G HA2 -0.213 3.748 3.960 0.001 0.000 0.264 282 G HA3 -0.213 3.748 3.960 0.001 0.000 0.264 282 G C 0.569 175.420 174.900 -0.082 0.000 1.060 282 G CA 0.464 45.503 45.100 -0.101 0.000 0.833 282 G HN 1.375 nan 8.290 nan 0.000 0.498 283 V N -4.972 114.954 119.914 0.020 0.000 4.766 283 V HA 0.016 4.137 4.120 0.001 0.000 0.260 283 V C 2.058 178.169 176.094 0.028 0.000 0.542 283 V CA 2.240 64.566 62.300 0.043 0.000 0.766 283 V CB -1.674 30.159 31.823 0.016 0.000 0.697 283 V HN 2.622 nan 8.190 nan 0.000 1.171 284 G N -0.909 107.909 108.800 0.030 0.000 2.195 284 G HA2 -0.228 3.733 3.960 0.001 0.000 0.224 284 G HA3 -0.228 3.733 3.960 0.001 0.000 0.224 284 G C 0.167 174.795 174.900 -0.452 0.000 0.990 284 G CA 0.317 45.392 45.100 -0.042 0.000 0.639 284 G HN 1.161 nan 8.290 nan 0.000 0.514 285 M N 0.599 119.915 119.600 -0.473 0.000 2.410 285 M HA 0.313 4.793 4.480 0.001 0.000 0.376 285 M C 1.775 177.780 176.300 -0.492 0.000 1.051 285 M CA 0.660 55.683 55.300 -0.461 0.000 0.949 285 M CB 1.347 33.803 32.600 -0.240 0.000 1.577 285 M HN 0.209 nan 8.290 nan 0.000 0.560 286 G N -1.268 107.170 108.800 -0.604 0.000 2.920 286 G HA2 -0.035 3.926 3.960 0.001 0.000 0.208 286 G HA3 -0.035 3.926 3.960 0.001 0.000 0.208 286 G C 0.079 174.777 174.900 -0.337 0.000 1.159 286 G CA -0.015 44.846 45.100 -0.398 0.000 0.784 286 G HN 0.691 nan 8.290 nan 0.000 0.535 287 H N -0.774 117.969 119.070 -0.546 0.000 2.741 287 H HA -0.145 4.412 4.556 0.001 0.000 0.305 287 H C 0.294 175.235 175.328 -0.646 0.000 1.169 287 H CA 0.946 56.627 56.048 -0.612 0.000 1.144 287 H CB -1.368 28.195 29.762 -0.333 0.000 1.397 287 H HN 0.363 nan 8.280 nan 0.000 0.409 288 K N 2.109 122.209 120.400 -0.500 0.000 2.231 288 K HA 0.122 4.443 4.320 0.001 0.000 0.255 288 K C -0.189 176.422 176.600 0.018 0.000 1.108 288 K CA -0.450 55.740 56.287 -0.160 0.000 0.997 288 K CB 0.437 32.946 32.500 0.015 0.000 1.549 288 K HN 0.372 nan 8.250 nan 0.000 0.419 289 H N 2.438 121.581 119.070 0.123 0.000 2.764 289 H HA 0.171 4.728 4.556 0.001 0.000 0.341 289 H C 0.204 175.470 175.328 -0.104 0.000 1.072 289 H CA 0.208 56.275 56.048 0.031 0.000 1.444 289 H CB 0.896 30.671 29.762 0.023 0.000 1.458 289 H HN 0.346 nan 8.280 nan 0.000 0.572 290 I N 4.484 124.996 120.570 -0.098 0.000 2.389 290 I HA 0.171 4.342 4.170 0.001 0.000 0.288 290 I C -0.050 175.896 176.117 -0.284 0.000 0.999 290 I CA -0.428 60.819 61.300 -0.087 0.000 1.129 290 I CB 1.166 39.198 38.000 0.054 0.000 1.288 290 I HN 0.469 nan 8.210 nan 0.000 0.444 291 H N 4.105 123.278 119.070 0.172 0.000 2.690 291 H HA 0.723 5.280 4.556 0.001 0.000 0.368 291 H C -0.331 175.081 175.328 0.140 0.000 1.150 291 H CA -1.050 55.073 56.048 0.124 0.000 1.174 291 H CB 2.561 32.372 29.762 0.081 0.000 1.684 291 H HN 0.757 nan 8.280 nan 0.000 0.538 292 G N 0.184 109.124 108.800 0.233 0.000 2.668 292 G HA2 0.505 4.466 3.960 0.001 0.000 0.284 292 G HA3 0.505 4.466 3.960 0.001 0.000 0.284 292 G C -0.929 174.076 174.900 0.174 0.000 1.456 292 G CA -0.476 44.744 45.100 0.200 0.000 1.214 292 G HN 0.790 nan 8.290 nan 0.000 0.568 293 G N 0.826 109.740 108.800 0.189 0.000 2.719 293 G HA2 0.616 4.576 3.960 0.001 0.000 0.298 293 G HA3 0.616 4.576 3.960 0.001 0.000 0.298 293 G C -1.044 174.002 174.900 0.244 0.000 1.411 293 G CA -0.820 44.433 45.100 0.256 0.000 0.991 293 G HN 0.862 nan 8.290 nan 0.000 0.509 294 L N 2.464 123.780 121.223 0.155 0.000 2.485 294 L HA 0.395 4.736 4.340 0.001 0.000 0.275 294 L C 1.389 178.203 176.870 -0.093 0.000 1.207 294 L CA -0.856 53.980 54.840 -0.007 0.000 0.855 294 L CB 0.126 42.142 42.059 -0.073 0.000 1.114 294 L HN 0.797 nan 8.230 nan 0.000 0.485 295 C N 4.406 123.619 119.300 -0.145 0.000 2.679 295 C HA 0.368 4.828 4.460 0.001 0.000 0.417 295 C C -1.974 172.844 174.990 -0.286 0.000 1.302 295 C CA -1.483 57.397 59.018 -0.230 0.000 1.973 295 C CB -0.590 27.080 27.740 -0.117 0.000 2.715 295 C HN 0.750 nan 8.230 nan 0.000 0.628 296 P HA 0.460 nan 4.420 nan 0.000 0.269 296 P C 0.507 177.877 177.300 0.116 0.000 1.215 296 P CA 0.813 63.884 63.100 -0.049 0.000 0.780 296 P CB 0.501 32.185 31.700 -0.026 0.000 0.898 297 G N -0.481 108.528 108.800 0.348 0.000 3.183 297 G HA2 0.680 4.641 3.960 0.001 0.000 0.247 297 G HA3 0.680 4.641 3.960 0.001 0.000 0.247 297 G C -0.287 174.653 174.900 0.067 0.000 1.211 297 G CA -0.423 44.763 45.100 0.143 0.000 0.835 297 G HN 0.797 nan 8.290 nan 0.000 0.604 298 G N -1.136 107.728 108.800 0.106 0.000 2.829 298 G HA2 -0.114 3.847 3.960 0.001 0.000 0.628 298 G HA3 -0.114 3.847 3.960 0.001 0.000 0.628 298 G C 0.816 175.747 174.900 0.051 0.000 1.412 298 G CA 0.719 45.922 45.100 0.172 0.000 0.864 298 G HN 0.927 nan 8.290 nan 0.000 0.544 299 R N -0.335 120.158 120.500 -0.011 0.000 2.083 299 R HA -0.054 4.286 4.340 0.001 0.000 0.237 299 R C 2.735 179.019 176.300 -0.026 0.000 1.137 299 R CA 2.300 58.384 56.100 -0.025 0.000 0.951 299 R CB -0.344 29.930 30.300 -0.044 0.000 0.851 299 R HN 0.646 nan 8.270 nan 0.000 0.434 300 L N 0.987 122.169 121.223 -0.068 0.000 2.056 300 L HA -0.101 4.239 4.340 0.001 0.000 0.207 300 L C 2.490 179.353 176.870 -0.012 0.000 1.078 300 L CA 1.810 56.622 54.840 -0.048 0.000 0.749 300 L CB -0.562 41.450 42.059 -0.077 0.000 0.901 300 L HN 0.102 nan 8.230 nan 0.000 0.433 301 R N -0.863 119.640 120.500 0.005 0.000 2.091 301 R HA -0.172 4.169 4.340 0.001 0.000 0.238 301 R C 2.076 178.377 176.300 0.002 0.000 1.136 301 R CA 1.940 58.051 56.100 0.018 0.000 0.959 301 R CB -0.373 29.956 30.300 0.048 0.000 0.856 301 R HN 0.284 nan 8.270 nan 0.000 0.437 302 M N 0.443 120.049 119.600 0.010 0.000 2.086 302 M HA -0.125 4.356 4.480 0.001 0.000 0.261 302 M C 1.966 178.269 176.300 0.006 0.000 1.067 302 M CA 1.774 57.080 55.300 0.009 0.000 1.116 302 M CB -0.970 31.645 32.600 0.024 0.000 1.348 302 M HN 0.260 nan 8.290 nan 0.000 0.407 303 E N -0.242 119.964 120.200 0.011 0.000 2.077 303 E HA -0.188 4.162 4.350 0.001 0.000 0.193 303 E C 2.196 178.799 176.600 0.005 0.000 0.989 303 E CA 1.049 57.456 56.400 0.012 0.000 0.800 303 E CB -0.123 29.585 29.700 0.014 0.000 0.746 303 E HN 0.478 nan 8.360 nan 0.000 0.452 304 R N 0.398 120.896 120.500 -0.004 0.000 2.073 304 R HA -0.115 4.226 4.340 0.001 0.000 0.234 304 R C 2.440 178.718 176.300 -0.037 0.000 1.134 304 R CA 1.124 57.218 56.100 -0.010 0.000 0.952 304 R CB -0.272 30.020 30.300 -0.014 0.000 0.850 304 R HN 0.181 nan 8.270 nan 0.000 0.433 305 L N 0.142 121.323 121.223 -0.069 0.000 2.109 305 L HA -0.096 4.245 4.340 0.001 0.000 0.207 305 L C 2.315 179.144 176.870 -0.070 0.000 1.086 305 L CA 0.860 55.620 54.840 -0.134 0.000 0.760 305 L CB -0.358 41.604 42.059 -0.161 0.000 0.910 305 L HN 0.172 nan 8.230 nan 0.000 0.437 306 I N 0.262 120.821 120.570 -0.019 0.000 2.194 306 I HA -0.335 3.835 4.170 0.001 0.000 0.246 306 I C 2.066 178.216 176.117 0.055 0.000 1.093 306 I CA 1.373 62.684 61.300 0.018 0.000 1.355 306 I CB -0.353 37.658 38.000 0.017 0.000 1.046 306 I HN 0.270 nan 8.210 nan 0.000 0.413 307 D N 0.678 121.119 120.400 0.068 0.000 2.117 307 D HA -0.126 4.514 4.640 0.001 0.000 0.197 307 D C 2.328 178.774 176.300 0.244 0.000 0.987 307 D CA 1.132 55.252 54.000 0.199 0.000 0.829 307 D CB -0.268 40.668 40.800 0.228 0.000 0.961 307 D HN 0.274 nan 8.370 nan 0.000 0.460 308 L N 0.057 121.333 121.223 0.089 0.000 2.079 308 L HA -0.161 4.179 4.340 0.001 0.000 0.210 308 L C 2.413 179.315 176.870 0.054 0.000 1.081 308 L CA 0.687 55.544 54.840 0.028 0.000 0.752 308 L CB -0.379 41.575 42.059 -0.175 0.000 0.896 308 L HN -0.012 nan 8.230 nan 0.000 0.433 309 V N -0.887 119.050 119.914 0.039 0.000 2.323 309 V HA -0.266 3.855 4.120 0.001 0.000 0.244 309 V C 2.187 178.314 176.094 0.055 0.000 1.041 309 V CA 1.607 63.934 62.300 0.045 0.000 1.025 309 V CB -0.562 31.282 31.823 0.034 0.000 0.656 309 V HN 0.291 nan 8.190 nan 0.000 0.451 310 F N 0.294 120.178 119.950 -0.110 0.000 2.134 310 F HA -0.210 4.318 4.527 0.001 0.000 0.299 310 F C 1.959 177.563 175.800 -0.326 0.000 1.097 310 F CA 1.706 59.551 58.000 -0.259 0.000 1.264 310 F CB -0.183 38.571 39.000 -0.410 0.000 1.001 310 F HN 0.201 nan 8.300 nan 0.000 0.479 311 Y N 0.861 121.276 120.300 0.192 0.000 2.462 311 Y HA 0.172 4.723 4.550 0.001 0.000 0.293 311 Y C 0.770 176.696 175.900 0.043 0.000 1.195 311 Y CA -0.144 58.017 58.100 0.101 0.000 1.276 311 Y CB -0.771 37.785 38.460 0.159 0.000 1.082 311 Y HN 0.039 nan 8.280 nan 0.000 0.514 312 K N -0.825 119.633 120.400 0.097 0.000 3.230 312 K HA -0.243 4.078 4.320 0.001 0.000 0.285 312 K C 0.907 177.597 176.600 0.150 0.000 1.196 312 K CA 0.248 56.584 56.287 0.082 0.000 0.838 312 K CB -0.788 31.735 32.500 0.038 0.000 1.262 312 K HN 0.236 nan 8.250 nan 0.000 0.492 313 R N 0.082 120.691 120.500 0.183 0.000 2.073 313 R HA 0.041 4.381 4.340 0.001 0.000 0.229 313 R C 1.033 177.526 176.300 0.320 0.000 1.120 313 R CA 1.031 57.298 56.100 0.278 0.000 0.967 313 R CB 0.141 30.556 30.300 0.192 0.000 0.862 313 R HN 0.135 nan 8.270 nan 0.000 0.436 314 V N 1.486 121.500 119.914 0.165 0.000 2.686 314 V HA 0.182 4.303 4.120 0.001 0.000 0.306 314 V C -1.126 175.073 176.094 0.175 0.000 1.065 314 V CA -1.287 61.140 62.300 0.212 0.000 0.894 314 V CB 2.549 34.420 31.823 0.081 0.000 1.004 314 V HN -0.023 nan 8.190 nan 0.000 0.424 315 D N 5.979 126.535 120.400 0.259 0.000 2.477 315 D HA 0.401 5.042 4.640 0.001 0.000 0.239 315 D C -1.523 174.941 176.300 0.274 0.000 1.102 315 D CA -2.055 52.065 54.000 0.200 0.000 0.901 315 D CB 2.043 42.931 40.800 0.146 0.000 1.026 315 D HN 0.287 nan 8.370 nan 0.000 0.515 316 P HA -0.056 nan 4.420 nan 0.000 0.245 316 P C 1.052 178.458 177.300 0.177 0.000 1.212 316 P CA 0.263 63.480 63.100 0.194 0.000 0.774 316 P CB 0.145 31.903 31.700 0.097 0.000 0.999 317 S N 0.557 116.339 115.700 0.137 0.000 2.442 317 S HA -0.119 4.352 4.470 0.001 0.000 0.236 317 S C 1.780 176.438 174.600 0.097 0.000 1.007 317 S CA 0.739 58.995 58.200 0.093 0.000 0.965 317 S CB -0.848 62.386 63.200 0.056 0.000 0.773 317 S HN 0.182 nan 8.310 nan 0.000 0.504 318 K N 0.960 121.435 120.400 0.126 0.000 2.280 318 K HA 0.121 4.442 4.320 0.001 0.000 0.202 318 K C 1.750 178.429 176.600 0.131 0.000 1.047 318 K CA 1.014 57.347 56.287 0.077 0.000 0.942 318 K CB -0.442 32.020 32.500 -0.064 0.000 0.739 318 K HN 0.443 nan 8.250 nan 0.000 0.457 319 L N 0.840 122.175 121.223 0.187 0.000 2.291 319 L HA -0.032 4.309 4.340 0.001 0.000 0.214 319 L C 0.630 177.580 176.870 0.133 0.000 1.120 319 L CA 0.254 55.193 54.840 0.166 0.000 0.799 319 L CB -0.040 42.112 42.059 0.155 0.000 0.925 319 L HN -0.118 nan 8.230 nan 0.000 0.446 320 V N 0.812 120.791 119.914 0.108 0.000 2.372 320 V HA 0.030 4.151 4.120 0.001 0.000 0.261 320 V C 1.293 177.425 176.094 0.063 0.000 1.055 320 V CA 0.485 62.834 62.300 0.082 0.000 0.930 320 V CB 0.793 32.647 31.823 0.052 0.000 1.031 320 V HN 0.378 nan 8.190 nan 0.000 0.479 321 T N 0.502 115.113 114.554 0.095 0.000 3.014 321 T HA 0.215 4.566 4.350 0.001 0.000 0.250 321 T C 0.372 174.935 174.700 -0.229 0.000 1.060 321 T CA 0.240 62.346 62.100 0.009 0.000 1.040 321 T CB 0.035 68.980 68.868 0.129 0.000 0.971 321 T HN 0.623 nan 8.240 nan 0.000 0.497 322 H N -0.212 118.774 119.070 -0.140 0.000 2.856 322 H HA 0.703 5.259 4.556 0.001 0.000 0.355 322 H C -1.481 173.578 175.328 -0.449 0.000 1.079 322 H CA -0.706 55.135 56.048 -0.346 0.000 1.240 322 H CB 2.214 31.772 29.762 -0.340 0.000 1.701 322 H HN 0.024 nan 8.280 nan 0.000 0.527 323 V N 4.400 124.021 119.914 -0.489 0.000 2.483 323 V HA 0.410 4.530 4.120 0.001 0.000 0.297 323 V C -0.928 174.866 176.094 -0.501 0.000 1.027 323 V CA -0.676 61.408 62.300 -0.360 0.000 0.855 323 V CB 0.532 32.254 31.823 -0.169 0.000 0.995 323 V HN 0.514 nan 8.190 nan 0.000 0.424 324 F N 2.955 122.911 119.950 0.010 0.000 2.575 324 F HA 0.746 5.274 4.527 0.001 0.000 0.330 324 F C 0.513 176.292 175.800 -0.035 0.000 1.056 324 F CA -0.988 57.005 58.000 -0.010 0.000 0.964 324 F CB 1.665 40.653 39.000 -0.020 0.000 1.258 324 F HN 0.224 nan 8.300 nan 0.000 0.484 325 R N 0.153 120.752 120.500 0.165 0.000 2.670 325 R HA 0.698 5.038 4.340 0.001 0.000 0.289 325 R C -0.519 175.789 176.300 0.013 0.000 0.965 325 R CA -0.816 55.314 56.100 0.051 0.000 0.899 325 R CB 1.921 32.238 30.300 0.029 0.000 1.173 325 R HN 0.964 nan 8.270 nan 0.000 0.456 326 G N 1.099 109.860 108.800 -0.065 0.000 2.692 326 G HA2 -0.247 3.714 3.960 0.001 0.000 0.686 326 G HA3 -0.247 3.714 3.960 0.001 0.000 0.686 326 G C 0.052 174.882 174.900 -0.117 0.000 1.243 326 G CA -0.752 44.298 45.100 -0.084 0.000 0.782 326 G HN 0.560 nan 8.290 nan 0.000 0.625 327 F N 0.308 120.247 119.950 -0.018 0.000 2.161 327 F HA -0.070 4.457 4.527 0.001 0.000 0.300 327 F C 2.517 178.315 175.800 -0.003 0.000 1.089 327 F CA 1.836 59.841 58.000 0.008 0.000 1.282 327 F CB -0.013 38.956 39.000 -0.051 0.000 1.010 327 F HN 0.504 nan 8.300 nan 0.000 0.485 328 D N -0.340 120.105 120.400 0.074 0.000 2.311 328 D HA -0.151 4.489 4.640 0.001 0.000 0.212 328 D C 1.519 177.810 176.300 -0.015 0.000 0.972 328 D CA 0.923 54.916 54.000 -0.011 0.000 0.887 328 D CB -0.364 40.404 40.800 -0.053 0.000 0.915 328 D HN 0.269 nan 8.370 nan 0.000 0.497 329 N N -0.229 118.435 118.700 -0.061 0.000 2.236 329 N HA 0.130 4.871 4.740 0.001 0.000 0.196 329 N C 1.701 177.049 175.510 -0.270 0.000 1.114 329 N CA -0.135 52.790 53.050 -0.210 0.000 0.859 329 N CB 0.667 39.026 38.487 -0.213 0.000 0.982 329 N HN 0.250 nan 8.380 nan 0.000 0.493 330 I N 1.231 121.682 120.570 -0.198 0.000 2.208 330 I HA -0.269 3.902 4.170 0.001 0.000 0.245 330 I C 2.459 178.186 176.117 -0.650 0.000 1.097 330 I CA 1.290 62.321 61.300 -0.448 0.000 1.363 330 I CB -0.008 37.704 38.000 -0.480 0.000 1.051 330 I HN 0.196 nan 8.210 nan 0.000 0.413 331 E N 1.391 121.202 120.200 -0.648 0.000 2.051 331 E HA -0.296 4.054 4.350 0.001 0.000 0.192 331 E C 2.261 178.668 176.600 -0.322 0.000 0.991 331 E CA 1.374 57.310 56.400 -0.773 0.000 0.799 331 E CB -0.015 29.428 29.700 -0.428 0.000 0.748 331 E HN 0.290 nan 8.360 nan 0.000 0.449 332 K N 0.087 120.313 120.400 -0.290 0.000 2.032 332 K HA -0.190 4.131 4.320 0.001 0.000 0.209 332 K C 2.068 178.483 176.600 -0.309 0.000 1.048 332 K CA 1.361 57.464 56.287 -0.306 0.000 0.927 332 K CB -0.239 31.971 32.500 -0.482 0.000 0.712 332 K HN 0.185 nan 8.250 nan 0.000 0.441 333 A N 0.639 123.245 122.820 -0.357 0.000 1.902 333 A HA -0.161 4.160 4.320 0.001 0.000 0.217 333 A C 2.004 179.551 177.584 -0.062 0.000 1.181 333 A CA 1.332 53.271 52.037 -0.163 0.000 0.623 333 A CB -0.805 18.159 19.000 -0.060 0.000 0.818 333 A HN 0.523 nan 8.150 nan 0.000 0.443 334 F N 0.221 120.040 119.950 -0.219 0.000 2.095 334 F HA -0.206 4.321 4.527 0.001 0.000 0.298 334 F C 2.215 178.007 175.800 -0.013 0.000 1.104 334 F CA 2.022 59.976 58.000 -0.077 0.000 1.232 334 F CB -0.111 38.839 39.000 -0.082 0.000 0.987 334 F HN 0.097 nan 8.300 nan 0.000 0.475 335 M N -0.429 119.234 119.600 0.105 0.000 2.296 335 M HA -0.127 4.354 4.480 0.001 0.000 0.265 335 M C 2.011 178.249 176.300 -0.102 0.000 1.064 335 M CA 0.976 56.291 55.300 0.024 0.000 1.109 335 M CB -1.301 31.345 32.600 0.077 0.000 1.396 335 M HN 0.217 nan 8.290 nan 0.000 0.430 336 L N -0.056 121.096 121.223 -0.118 0.000 2.191 336 L HA -0.133 4.208 4.340 0.001 0.000 0.212 336 L C 2.296 179.074 176.870 -0.153 0.000 1.103 336 L CA 1.345 56.105 54.840 -0.134 0.000 0.769 336 L CB -0.872 41.096 42.059 -0.151 0.000 0.908 336 L HN 0.261 nan 8.230 nan 0.000 0.438 337 M N -1.163 118.316 119.600 -0.201 0.000 2.419 337 M HA -0.109 4.372 4.480 0.001 0.000 0.264 337 M C 2.151 178.303 176.300 -0.246 0.000 1.082 337 M CA 1.019 56.189 55.300 -0.217 0.000 1.119 337 M CB -0.817 31.620 32.600 -0.272 0.000 1.398 337 M HN 0.191 nan 8.290 nan 0.000 0.453 338 K N 0.923 121.155 120.400 -0.280 0.000 2.076 338 K HA -0.046 4.275 4.320 0.001 0.000 0.204 338 K C -0.189 176.285 176.600 -0.211 0.000 1.051 338 K CA 1.065 57.179 56.287 -0.288 0.000 0.949 338 K CB 0.382 32.681 32.500 -0.335 0.000 0.726 338 K HN 0.104 nan 8.250 nan 0.000 0.443 339 D N 1.903 122.207 120.400 -0.159 0.000 2.434 339 D HA 0.081 4.721 4.640 0.001 0.000 0.275 339 D C -1.022 175.229 176.300 -0.082 0.000 1.172 339 D CA -0.296 53.638 54.000 -0.111 0.000 0.916 339 D CB 1.187 41.931 40.800 -0.093 0.000 1.041 339 D HN 0.028 nan 8.370 nan 0.000 0.501 340 K N 2.884 123.241 120.400 -0.071 0.000 2.237 340 K HA 0.184 4.505 4.320 0.001 0.000 0.283 340 K C -1.956 174.635 176.600 -0.016 0.000 1.080 340 K CA -1.286 54.972 56.287 -0.048 0.000 0.965 340 K CB 0.246 32.725 32.500 -0.035 0.000 1.098 340 K HN 0.266 nan 8.250 nan 0.000 0.434 341 P HA 0.076 nan 4.420 nan 0.000 0.272 341 P C 0.550 177.879 177.300 0.048 0.000 1.230 341 P CA -0.350 62.763 63.100 0.022 0.000 0.788 341 P CB 1.024 32.745 31.700 0.036 0.000 0.949 342 K N 0.665 121.095 120.400 0.050 0.000 2.283 342 K HA -0.140 4.181 4.320 0.001 0.000 0.202 342 K C 1.011 177.660 176.600 0.082 0.000 1.048 342 K CA 1.467 57.791 56.287 0.061 0.000 0.948 342 K CB -0.105 32.423 32.500 0.048 0.000 0.742 342 K HN 0.470 nan 8.250 nan 0.000 0.458 343 D N 0.162 120.610 120.400 0.079 0.000 2.349 343 D HA -0.087 4.553 4.640 0.001 0.000 0.215 343 D C 0.453 176.848 176.300 0.158 0.000 1.016 343 D CA -0.088 53.946 54.000 0.056 0.000 0.870 343 D CB -0.182 40.610 40.800 -0.013 0.000 0.917 343 D HN 0.068 nan 8.370 nan 0.000 0.524 344 L N 0.393 121.739 121.223 0.204 0.000 2.326 344 L HA 0.327 4.668 4.340 0.001 0.000 0.278 344 L C 0.467 177.448 176.870 0.185 0.000 1.092 344 L CA -0.186 54.794 54.840 0.233 0.000 0.810 344 L CB 0.864 42.971 42.059 0.079 0.000 1.153 344 L HN -0.098 nan 8.230 nan 0.000 0.439 345 I N 1.796 122.486 120.570 0.201 0.000 3.632 345 I HA 0.297 4.468 4.170 0.001 0.000 0.246 345 I C -0.188 175.998 176.117 0.115 0.000 1.125 345 I CA -0.293 61.096 61.300 0.149 0.000 1.519 345 I CB 0.219 38.314 38.000 0.159 0.000 1.555 345 I HN 0.459 nan 8.210 nan 0.000 0.452 346 K N 2.095 122.575 120.400 0.133 0.000 2.535 346 K HA 0.431 4.752 4.320 0.001 0.000 0.250 346 K C -2.849 173.824 176.600 0.122 0.000 0.948 346 K CA -2.171 54.179 56.287 0.104 0.000 0.796 346 K CB 2.107 34.664 32.500 0.096 0.000 1.216 346 K HN -0.196 nan 8.250 nan 0.000 0.432 347 P HA 0.328 nan 4.420 nan 0.000 0.284 347 P C -1.017 176.355 177.300 0.119 0.000 1.258 347 P CA -0.634 62.546 63.100 0.134 0.000 0.824 347 P CB 1.440 33.255 31.700 0.191 0.000 1.038 348 V N 2.213 122.184 119.914 0.096 0.000 2.735 348 V HA 0.363 4.483 4.120 0.001 0.000 0.310 348 V C -0.177 175.982 176.094 0.109 0.000 1.061 348 V CA -0.793 61.558 62.300 0.084 0.000 0.913 348 V CB 2.492 34.342 31.823 0.045 0.000 1.005 348 V HN 0.237 nan 8.190 nan 0.000 0.428 349 V N 5.268 125.235 119.914 0.090 0.000 2.409 349 V HA 0.491 4.612 4.120 0.001 0.000 0.291 349 V C -0.343 175.747 176.094 -0.007 0.000 1.020 349 V CA -0.539 61.799 62.300 0.064 0.000 0.848 349 V CB 1.622 33.443 31.823 -0.004 0.000 0.990 349 V HN 0.569 nan 8.190 nan 0.000 0.430 350 I N 6.114 126.676 120.570 -0.014 0.000 2.331 350 I HA 0.446 4.617 4.170 0.001 0.000 0.292 350 I C -0.075 175.987 176.117 -0.093 0.000 0.998 350 I CA -0.215 61.062 61.300 -0.038 0.000 1.267 350 I CB 1.366 39.356 38.000 -0.017 0.000 1.386 350 I HN 0.425 nan 8.210 nan 0.000 0.476 351 L N 4.617 125.759 121.223 -0.135 0.000 2.344 351 L HA 0.682 5.023 4.340 0.001 0.000 0.272 351 L C 0.883 177.694 176.870 -0.098 0.000 1.035 351 L CA -0.629 54.078 54.840 -0.222 0.000 0.807 351 L CB 1.385 43.190 42.059 -0.423 0.000 1.237 351 L HN 0.692 nan 8.230 nan 0.000 0.442 352 A N 0.000 122.781 122.820 -0.065 0.000 2.254 352 A HA 0.000 4.321 4.320 0.001 0.000 0.244 352 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 352 A CB 0.000 19.016 19.000 0.026 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486