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 1l6f_1_A DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLXMD TGMGRLGVKD EEETKRIVAL DATA SEQUENCE IERHPHFVLE GLYTHFATAD EVNTDYFSYQ YTRFLHMLEW LPSRPPLVHC DATA SEQUENCE ANSAASLRFP DRTFNMVRFG IAMYGLAPSP GIKPLLPYPL KEAFSLHSRL DATA SEQUENCE VHVKKLQPGE KVSYGATYTA QTEEWIGTIP IGYADGWLRR LQHFHVLVDG DATA SEQUENCE QKAPIVGRIC MDQCMIRLPG PLPVGTKVTL IGRQGDEVIS IDDVARHLET DATA SEQUENCE INYEVPCTIS YRVPRIFFRH KRIMEVRNAI GR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.544 175.510 0.056 0.000 1.280 2 N CA 0.000 53.088 53.050 0.064 0.000 0.885 2 N CB 0.000 38.543 38.487 0.093 0.000 1.341 3 D N 0.792 121.214 120.400 0.037 0.000 2.581 3 D HA 0.633 5.273 4.640 0.000 0.000 0.232 3 D C -1.505 174.755 176.300 -0.067 0.000 1.143 3 D CA -0.181 53.775 54.000 -0.072 0.000 0.881 3 D CB 1.492 42.183 40.800 -0.182 0.000 1.500 3 D HN 0.270 nan 8.370 nan 0.000 0.458 4 F N -0.718 119.003 119.950 -0.381 0.000 2.588 4 F HA 0.542 5.069 4.527 0.001 0.000 0.314 4 F C -0.102 175.336 175.800 -0.604 0.000 1.069 4 F CA -0.707 57.067 58.000 -0.377 0.000 0.931 4 F CB 1.502 40.410 39.000 -0.153 0.000 1.260 4 F HN 0.249 nan 8.300 nan 0.000 0.465 5 H N 1.228 120.370 119.070 0.120 0.000 2.467 5 H HA 0.361 4.918 4.556 0.001 0.000 0.275 5 H C -0.595 174.787 175.328 0.090 0.000 1.131 5 H CA -0.167 55.894 56.048 0.022 0.000 0.989 5 H CB 0.465 30.231 29.762 0.007 0.000 1.696 5 H HN 0.649 nan 8.280 nan 0.000 0.574 6 R N 0.879 121.536 120.500 0.262 0.000 2.673 6 R HA 0.148 4.488 4.340 0.000 0.000 0.281 6 R C -1.203 175.302 176.300 0.341 0.000 0.991 6 R CA -0.596 55.644 56.100 0.233 0.000 0.896 6 R CB 1.409 31.817 30.300 0.181 0.000 1.201 6 R HN -0.064 nan 8.270 nan 0.000 0.457 7 D N 3.044 123.605 120.400 0.268 0.000 2.934 7 D HA 0.125 4.766 4.640 0.000 0.000 0.237 7 D C -0.862 175.720 176.300 0.470 0.000 1.158 7 D CA 0.572 54.804 54.000 0.387 0.000 0.971 7 D CB 0.684 41.642 40.800 0.263 0.000 1.123 7 D HN 0.355 nan 8.370 nan 0.000 0.467 8 T N 0.957 115.790 114.554 0.466 0.000 3.109 8 T HA 0.475 4.825 4.350 0.000 0.000 0.311 8 T C -0.963 173.840 174.700 0.172 0.000 1.011 8 T CA -0.902 61.309 62.100 0.185 0.000 1.026 8 T CB 1.108 69.972 68.868 -0.006 0.000 1.047 8 T HN 0.340 nan 8.240 nan 0.000 0.448 9 W N 1.998 123.167 121.300 -0.218 0.000 3.146 9 W HA 0.834 5.494 4.660 0.001 0.000 0.319 9 W C -1.603 174.754 176.519 -0.271 0.000 1.258 9 W CA -1.385 55.747 57.345 -0.355 0.000 1.189 9 W CB 0.609 29.763 29.460 -0.510 0.000 1.412 9 W HN 0.755 nan 8.180 nan 0.000 0.567 10 A N 1.580 124.212 122.820 -0.314 0.000 2.320 10 A HA 0.792 5.112 4.320 0.000 0.000 0.334 10 A C -0.839 176.548 177.584 -0.328 0.000 1.147 10 A CA -0.809 50.903 52.037 -0.542 0.000 0.820 10 A CB 1.212 19.818 19.000 -0.656 0.000 1.218 10 A HN 0.675 nan 8.150 nan 0.000 0.482 11 E N 0.415 120.386 120.200 -0.380 0.000 2.222 11 E HA 0.526 4.876 4.350 0.000 0.000 0.267 11 E C -1.546 174.937 176.600 -0.196 0.000 0.884 11 E CA -0.746 55.611 56.400 -0.071 0.000 0.764 11 E CB 2.372 32.189 29.700 0.195 0.000 1.169 11 E HN 0.310 nan 8.360 nan 0.000 0.413 12 V N 2.605 122.491 119.914 -0.048 0.000 2.407 12 V HA 0.107 4.228 4.120 0.000 0.000 0.291 12 V C -0.595 175.669 176.094 0.284 0.000 1.018 12 V CA -0.797 61.564 62.300 0.102 0.000 0.842 12 V CB 1.619 33.513 31.823 0.118 0.000 0.996 12 V HN 0.626 nan 8.190 nan 0.000 0.426 13 D N 4.378 124.921 120.400 0.240 0.000 2.365 13 D HA 0.249 4.890 4.640 0.000 0.000 0.237 13 D C 0.901 177.344 176.300 0.238 0.000 1.190 13 D CA -0.028 54.105 54.000 0.223 0.000 0.867 13 D CB 1.302 42.164 40.800 0.104 0.000 1.050 13 D HN 0.449 nan 8.370 nan 0.000 0.491 14 L N 2.651 124.027 121.223 0.256 0.000 2.395 14 L HA -0.051 4.289 4.340 0.000 0.000 0.218 14 L C 1.381 178.331 176.870 0.133 0.000 1.130 14 L CA 0.414 55.374 54.840 0.200 0.000 0.826 14 L CB 0.052 42.220 42.059 0.182 0.000 0.941 14 L HN 0.312 nan 8.230 nan 0.000 0.451 15 D N 0.475 120.929 120.400 0.090 0.000 2.178 15 D HA -0.108 4.533 4.640 0.000 0.000 0.202 15 D C 2.234 178.611 176.300 0.129 0.000 0.974 15 D CA 1.306 55.337 54.000 0.052 0.000 0.841 15 D CB 0.159 40.960 40.800 0.002 0.000 0.953 15 D HN 0.282 nan 8.370 nan 0.000 0.478 16 A N 0.643 123.536 122.820 0.121 0.000 1.898 16 A HA -0.093 4.227 4.320 0.000 0.000 0.216 16 A C 2.337 179.990 177.584 0.115 0.000 1.181 16 A CA 0.701 52.809 52.037 0.118 0.000 0.620 16 A CB -0.629 18.440 19.000 0.115 0.000 0.819 16 A HN 0.158 nan 8.150 nan 0.000 0.442 17 I N -1.996 118.641 120.570 0.111 0.000 2.226 17 I HA -0.262 3.909 4.170 0.000 0.000 0.245 17 I C 2.432 178.584 176.117 0.057 0.000 1.100 17 I CA 1.681 63.006 61.300 0.042 0.000 1.374 17 I CB -0.329 37.690 38.000 0.030 0.000 1.057 17 I HN 0.556 nan 8.210 nan 0.000 0.413 18 Y N 1.867 122.164 120.300 -0.004 0.000 2.128 18 Y HA -0.340 4.210 4.550 0.000 0.000 0.284 18 Y C 2.179 178.071 175.900 -0.013 0.000 1.154 18 Y CA 1.973 60.064 58.100 -0.015 0.000 1.149 18 Y CB -0.188 38.254 38.460 -0.028 0.000 0.976 18 Y HN 0.193 nan 8.280 nan 0.000 0.505 19 D N -0.179 120.333 120.400 0.187 0.000 2.117 19 D HA -0.179 4.461 4.640 0.000 0.000 0.197 19 D C 1.744 178.034 176.300 -0.017 0.000 0.987 19 D CA 1.306 55.358 54.000 0.086 0.000 0.829 19 D CB -0.422 40.448 40.800 0.116 0.000 0.961 19 D HN 0.410 nan 8.370 nan 0.000 0.460 20 N N 0.134 118.870 118.700 0.060 0.000 2.166 20 N HA -0.097 4.643 4.740 0.000 0.000 0.186 20 N C 1.943 177.553 175.510 0.167 0.000 1.019 20 N CA 0.468 53.623 53.050 0.175 0.000 0.856 20 N CB -0.287 38.306 38.487 0.177 0.000 0.993 20 N HN 0.116 nan 8.380 nan 0.000 0.426 21 V N 1.297 121.229 119.914 0.030 0.000 2.407 21 V HA -0.099 4.022 4.120 0.000 0.000 0.245 21 V C 2.356 178.298 176.094 -0.254 0.000 1.041 21 V CA 1.164 63.428 62.300 -0.060 0.000 1.040 21 V CB -0.387 31.375 31.823 -0.102 0.000 0.671 21 V HN 0.306 nan 8.190 nan 0.000 0.455 22 E N 0.505 120.492 120.200 -0.355 0.000 2.085 22 E HA -0.263 4.087 4.350 0.000 0.000 0.194 22 E C 2.032 178.439 176.600 -0.322 0.000 0.994 22 E CA 1.389 57.569 56.400 -0.367 0.000 0.801 22 E CB -0.078 29.377 29.700 -0.407 0.000 0.743 22 E HN 0.543 nan 8.360 nan 0.000 0.453 23 N N 0.756 119.207 118.700 -0.415 0.000 2.223 23 N HA -0.170 4.570 4.740 0.000 0.000 0.185 23 N C 1.858 177.023 175.510 -0.576 0.000 1.016 23 N CA 0.636 53.284 53.050 -0.670 0.000 0.863 23 N CB -0.235 37.417 38.487 -1.392 0.000 0.983 23 N HN 0.206 nan 8.380 nan 0.000 0.429 24 L N 1.183 122.170 121.223 -0.395 0.000 2.072 24 L HA -0.003 4.337 4.340 0.000 0.000 0.205 24 L C 2.353 179.080 176.870 -0.238 0.000 1.079 24 L CA 1.349 56.032 54.840 -0.261 0.000 0.752 24 L CB -0.398 41.341 42.059 -0.533 0.000 0.906 24 L HN -0.088 nan 8.230 nan 0.000 0.436 25 R N -0.001 120.351 120.500 -0.247 0.000 2.091 25 R HA -0.145 4.195 4.340 0.000 0.000 0.238 25 R C 2.348 178.561 176.300 -0.146 0.000 1.136 25 R CA 1.767 57.756 56.100 -0.184 0.000 0.959 25 R CB -0.386 29.806 30.300 -0.180 0.000 0.856 25 R HN 0.336 nan 8.270 nan 0.000 0.437 26 R N -0.452 119.951 120.500 -0.160 0.000 2.092 26 R HA -0.075 4.265 4.340 0.000 0.000 0.231 26 R C 2.207 178.452 176.300 -0.093 0.000 1.119 26 R CA 1.383 57.410 56.100 -0.121 0.000 0.970 26 R CB -0.483 29.735 30.300 -0.138 0.000 0.864 26 R HN 0.207 nan 8.270 nan 0.000 0.440 27 L N 0.961 122.127 121.223 -0.096 0.000 2.093 27 L HA -0.012 4.328 4.340 0.000 0.000 0.208 27 L C 0.520 177.367 176.870 -0.038 0.000 1.085 27 L CA 1.393 56.209 54.840 -0.040 0.000 0.755 27 L CB -0.026 42.043 42.059 0.016 0.000 0.904 27 L HN -0.009 nan 8.230 nan 0.000 0.435 28 L N 0.270 121.456 121.223 -0.061 0.000 2.399 28 L HA 0.319 4.659 4.340 0.000 0.000 0.266 28 L C -1.913 174.929 176.870 -0.047 0.000 1.114 28 L CA -2.160 52.651 54.840 -0.047 0.000 0.804 28 L CB -0.151 41.871 42.059 -0.061 0.000 1.146 28 L HN -0.067 nan 8.230 nan 0.000 0.451 29 P HA 0.011 nan 4.420 nan 0.000 0.269 29 P C -0.014 177.250 177.300 -0.059 0.000 1.209 29 P CA -0.214 62.864 63.100 -0.038 0.000 0.776 29 P CB 0.491 32.175 31.700 -0.025 0.000 0.876 30 D N 1.333 121.698 120.400 -0.058 0.000 2.203 30 D HA -0.192 4.448 4.640 0.000 0.000 0.199 30 D C 0.952 177.187 176.300 -0.109 0.000 0.997 30 D CA 1.458 55.414 54.000 -0.073 0.000 0.863 30 D CB -0.107 40.660 40.800 -0.054 0.000 0.928 30 D HN 0.619 nan 8.370 nan 0.000 0.458 31 D N 0.130 120.469 120.400 -0.103 0.000 2.340 31 D HA -0.051 4.589 4.640 0.000 0.000 0.220 31 D C 0.148 176.321 176.300 -0.213 0.000 1.039 31 D CA 0.183 54.095 54.000 -0.147 0.000 0.866 31 D CB -0.018 40.737 40.800 -0.074 0.000 0.913 31 D HN -0.100 nan 8.370 nan 0.000 0.523 32 T N 1.609 116.072 114.554 -0.152 0.000 2.743 32 T HA 0.130 4.480 4.350 0.000 0.000 0.293 32 T C 0.048 174.657 174.700 -0.151 0.000 0.945 32 T CA -0.420 61.620 62.100 -0.101 0.000 1.030 32 T CB 1.109 69.972 68.868 -0.007 0.000 0.912 32 T HN 0.122 nan 8.240 nan 0.000 0.483 33 H N 2.259 121.335 119.070 0.010 0.000 2.547 33 H HA 0.377 4.933 4.556 0.001 0.000 0.362 33 H C 0.042 175.352 175.328 -0.030 0.000 1.181 33 H CA -0.289 55.748 56.048 -0.019 0.000 1.376 33 H CB 1.012 30.757 29.762 -0.027 0.000 1.488 33 H HN 0.454 nan 8.280 nan 0.000 0.583 34 I N 2.972 123.595 120.570 0.089 0.000 2.382 34 I HA 0.151 4.321 4.170 0.000 0.000 0.286 34 I C 0.110 176.236 176.117 0.015 0.000 1.002 34 I CA -0.286 61.025 61.300 0.018 0.000 1.135 34 I CB 1.302 39.269 38.000 -0.055 0.000 1.288 34 I HN 0.283 nan 8.210 nan 0.000 0.448 35 M N 6.985 126.592 119.600 0.011 0.000 2.061 35 M HA 0.605 5.086 4.480 0.000 0.000 0.346 35 M C -0.424 175.887 176.300 0.018 0.000 1.112 35 M CA -0.376 54.907 55.300 -0.029 0.000 1.021 35 M CB 1.028 33.567 32.600 -0.102 0.000 1.530 35 M HN 0.654 nan 8.290 nan 0.000 0.437 36 A N 4.990 127.812 122.820 0.003 0.000 2.409 36 A HA 0.511 4.831 4.320 0.000 0.000 0.267 36 A C -0.435 177.133 177.584 -0.026 0.000 1.127 36 A CA -0.579 51.459 52.037 0.001 0.000 0.795 36 A CB 0.227 19.206 19.000 -0.035 0.000 1.061 36 A HN 0.713 nan 8.150 nan 0.000 0.502 37 V N 4.234 124.128 119.914 -0.033 0.000 2.368 37 V HA 0.258 4.379 4.120 0.000 0.000 0.266 37 V C 0.707 176.795 176.094 -0.010 0.000 1.045 37 V CA 0.144 62.444 62.300 -0.000 0.000 0.899 37 V CB 0.741 32.604 31.823 0.066 0.000 1.006 37 V HN 0.943 nan 8.190 nan 0.000 0.470 38 V N 2.403 122.340 119.914 0.038 0.000 2.854 38 V HA 0.339 4.460 4.120 0.000 0.000 0.366 38 V C 0.591 176.756 176.094 0.118 0.000 1.322 38 V CA -0.728 61.624 62.300 0.087 0.000 1.243 38 V CB -0.611 31.241 31.823 0.049 0.000 1.337 38 V HN 0.836 nan 8.190 nan 0.000 0.585 39 K N 0.690 121.190 120.400 0.167 0.000 2.118 39 K HA 0.704 5.024 4.320 0.000 0.000 0.240 39 K C 0.717 177.414 176.600 0.161 0.000 1.035 39 K CA 0.098 56.448 56.287 0.105 0.000 0.899 39 K CB 0.658 33.212 32.500 0.091 0.000 1.085 39 K HN 1.210 nan 8.250 nan 0.000 0.498 40 A N 1.379 124.240 122.820 0.069 0.000 2.610 40 A HA -0.241 4.079 4.320 0.000 0.000 0.299 40 A C 0.369 178.020 177.584 0.111 0.000 1.487 40 A CA 1.079 53.165 52.037 0.081 0.000 0.743 40 A CB -2.472 16.550 19.000 0.037 0.000 1.070 40 A HN 1.059 nan 8.150 nan 0.000 0.439 41 N N -2.163 116.594 118.700 0.095 0.000 2.725 41 N HA 0.051 4.792 4.740 0.000 0.000 0.251 41 N C 0.428 176.049 175.510 0.185 0.000 1.031 41 N CA 2.376 55.501 53.050 0.125 0.000 0.720 41 N CB -1.615 36.950 38.487 0.131 0.000 0.930 41 N HN 2.404 nan 8.380 nan 0.000 0.543 42 A N 0.241 123.182 122.820 0.201 0.000 2.667 42 A HA -0.196 4.124 4.320 0.000 0.000 0.298 42 A C 0.584 178.269 177.584 0.169 0.000 1.483 42 A CA 1.064 53.251 52.037 0.249 0.000 0.738 42 A CB -2.358 16.822 19.000 0.301 0.000 1.067 42 A HN 1.284 nan 8.150 nan 0.000 0.451 43 Y N -2.709 117.508 120.300 -0.138 0.000 3.225 43 Y HA -0.143 4.407 4.550 0.000 0.000 0.211 43 Y C 1.974 177.823 175.900 -0.087 0.000 1.223 43 Y CA 1.945 59.884 58.100 -0.269 0.000 1.284 43 Y CB -1.882 36.087 38.460 -0.818 0.000 1.367 43 Y HN 2.412 nan 8.280 nan 0.000 0.566 44 G N -1.584 107.292 108.800 0.126 0.000 2.184 44 G HA2 -0.409 3.551 3.960 0.000 0.000 0.264 44 G HA3 -0.409 3.551 3.960 0.000 0.000 0.264 44 G C 0.572 175.521 174.900 0.082 0.000 0.975 44 G CA 0.702 45.821 45.100 0.032 0.000 0.642 44 G HN 0.639 nan 8.290 nan 0.000 0.536 45 H N 0.026 119.172 119.070 0.126 0.000 2.575 45 H HA 0.468 5.024 4.556 0.000 0.000 0.267 45 H C 1.549 177.135 175.328 0.431 0.000 0.966 45 H CA 1.047 57.287 56.048 0.321 0.000 1.165 45 H CB 0.714 30.702 29.762 0.377 0.000 1.433 45 H HN 1.471 nan 8.280 nan 0.000 0.544 46 G N 1.788 110.854 108.800 0.444 0.000 3.017 46 G HA2 -0.192 3.768 3.960 0.000 0.000 0.680 46 G HA3 -0.192 3.768 3.960 0.000 0.000 0.680 46 G C 0.421 175.470 174.900 0.248 0.000 1.179 46 G CA -0.010 45.338 45.100 0.412 0.000 1.142 46 G HN 0.342 nan 8.290 nan 0.000 0.489 47 D N 1.258 121.758 120.400 0.166 0.000 2.127 47 D HA -0.198 4.443 4.640 0.000 0.000 0.190 47 D C 2.249 178.574 176.300 0.042 0.000 1.000 47 D CA 1.999 56.059 54.000 0.099 0.000 0.839 47 D CB -0.446 40.391 40.800 0.061 0.000 0.955 47 D HN 0.985 nan 8.370 nan 0.000 0.446 48 V N -0.098 119.818 119.914 0.003 0.000 2.667 48 V HA -0.187 3.934 4.120 0.000 0.000 0.252 48 V C 2.193 178.235 176.094 -0.086 0.000 1.065 48 V CA 1.729 64.005 62.300 -0.039 0.000 1.083 48 V CB -0.322 31.473 31.823 -0.047 0.000 0.692 48 V HN 0.057 nan 8.190 nan 0.000 0.468 49 Q N -0.498 119.205 119.800 -0.161 0.000 2.083 49 Q HA -0.072 4.269 4.340 0.000 0.000 0.198 49 Q C 2.136 178.086 176.000 -0.083 0.000 0.969 49 Q CA 2.002 57.643 55.803 -0.271 0.000 0.838 49 Q CB -0.443 27.816 28.738 -0.800 0.000 0.900 49 Q HN 0.540 nan 8.270 nan 0.000 0.436 50 V N 0.638 120.566 119.914 0.024 0.000 2.379 50 V HA -0.225 3.896 4.120 0.000 0.000 0.245 50 V C 2.140 178.235 176.094 0.001 0.000 1.044 50 V CA 1.604 63.939 62.300 0.058 0.000 1.036 50 V CB -1.074 30.827 31.823 0.130 0.000 0.664 50 V HN 0.416 nan 8.190 nan 0.000 0.453 51 A N 0.201 123.019 122.820 -0.003 0.000 1.873 51 A HA -0.263 4.057 4.320 0.000 0.000 0.218 51 A C 2.376 179.948 177.584 -0.019 0.000 1.193 51 A CA 2.011 54.036 52.037 -0.019 0.000 0.629 51 A CB -0.558 18.431 19.000 -0.019 0.000 0.826 51 A HN 0.477 nan 8.150 nan 0.000 0.447 52 R N -1.044 119.443 120.500 -0.021 0.000 2.091 52 R HA -0.111 4.229 4.340 0.000 0.000 0.238 52 R C 2.293 178.602 176.300 0.014 0.000 1.136 52 R CA 1.906 57.999 56.100 -0.012 0.000 0.959 52 R CB -1.058 29.226 30.300 -0.028 0.000 0.856 52 R HN 0.590 nan 8.270 nan 0.000 0.437 53 T N 1.119 115.686 114.554 0.023 0.000 2.708 53 T HA -0.106 4.245 4.350 0.000 0.000 0.266 53 T C 2.000 176.734 174.700 0.058 0.000 1.037 53 T CA 1.400 63.546 62.100 0.076 0.000 1.146 53 T CB -0.254 68.665 68.868 0.085 0.000 0.865 53 T HN 0.378 nan 8.240 nan 0.000 0.435 54 A N 1.373 124.191 122.820 -0.004 0.000 1.883 54 A HA -0.017 4.303 4.320 0.000 0.000 0.217 54 A C 2.302 179.860 177.584 -0.044 0.000 1.186 54 A CA 1.310 53.319 52.037 -0.047 0.000 0.624 54 A CB -0.944 18.021 19.000 -0.059 0.000 0.822 54 A HN 0.475 nan 8.150 nan 0.000 0.444 55 L N -0.972 120.239 121.223 -0.020 0.000 2.131 55 L HA -0.183 4.157 4.340 0.000 0.000 0.210 55 L C 2.597 179.469 176.870 0.003 0.000 1.092 55 L CA 1.630 56.462 54.840 -0.014 0.000 0.759 55 L CB -0.401 41.653 42.059 -0.009 0.000 0.903 55 L HN 0.549 nan 8.230 nan 0.000 0.435 56 E N 0.168 120.392 120.200 0.040 0.000 2.106 56 E HA -0.188 4.163 4.350 0.000 0.000 0.192 56 E C 2.142 178.805 176.600 0.104 0.000 0.984 56 E CA 0.970 57.436 56.400 0.110 0.000 0.806 56 E CB 0.060 29.875 29.700 0.192 0.000 0.750 56 E HN 0.475 nan 8.360 nan 0.000 0.458 57 A N -0.539 122.230 122.820 -0.085 0.000 2.123 57 A HA 0.173 4.493 4.320 0.000 0.000 0.214 57 A C 1.675 179.091 177.584 -0.281 0.000 1.152 57 A CA 1.214 52.963 52.037 -0.479 0.000 0.728 57 A CB 0.163 18.678 19.000 -0.808 0.000 0.814 57 A HN 0.439 nan 8.150 nan 0.000 0.464 58 G N -2.739 105.975 108.800 -0.143 0.000 2.935 58 G HA2 0.301 4.261 3.960 0.000 0.000 0.213 58 G HA3 0.301 4.261 3.960 0.000 0.000 0.213 58 G C 0.411 175.268 174.900 -0.072 0.000 0.984 58 G CA 0.074 45.110 45.100 -0.107 0.000 0.790 58 G HN 1.175 nan 8.290 nan 0.000 0.538 59 A N 0.678 123.458 122.820 -0.067 0.000 2.346 59 A HA 0.717 5.038 4.320 0.000 0.000 0.252 59 A C 1.458 179.032 177.584 -0.016 0.000 1.089 59 A CA 1.236 53.251 52.037 -0.036 0.000 0.797 59 A CB 0.616 19.596 19.000 -0.033 0.000 1.047 59 A HN 1.481 nan 8.150 nan 0.000 0.494 60 S N -0.297 115.401 115.700 -0.003 0.000 2.649 60 S HA 0.350 4.821 4.470 0.000 0.000 0.246 60 S C 0.517 175.086 174.600 -0.052 0.000 1.057 60 S CA -0.328 57.869 58.200 -0.006 0.000 1.051 60 S CB 0.251 63.483 63.200 0.053 0.000 1.018 60 S HN 0.735 nan 8.310 nan 0.000 0.569 61 R N -0.166 120.294 120.500 -0.067 0.000 2.817 61 R HA 0.797 5.137 4.340 0.000 0.000 0.268 61 R C -1.751 174.499 176.300 -0.084 0.000 1.027 61 R CA -0.734 55.306 56.100 -0.099 0.000 0.928 61 R CB 1.453 31.661 30.300 -0.154 0.000 1.228 61 R HN 0.118 nan 8.270 nan 0.000 0.469 62 L N 0.231 121.397 121.223 -0.094 0.000 2.333 62 L HA 0.918 5.258 4.340 0.000 0.000 0.263 62 L C -0.852 175.959 176.870 -0.098 0.000 1.014 62 L CA -1.097 53.697 54.840 -0.078 0.000 0.820 62 L CB 2.263 44.285 42.059 -0.062 0.000 1.352 62 L HN 0.711 nan 8.230 nan 0.000 0.421 63 A N 1.120 123.896 122.820 -0.074 0.000 2.414 63 A HA 0.898 5.219 4.320 0.000 0.000 0.306 63 A C -0.829 176.729 177.584 -0.043 0.000 1.054 63 A CA -0.568 51.422 52.037 -0.079 0.000 0.724 63 A CB 1.917 20.871 19.000 -0.077 0.000 1.267 63 A HN 0.607 nan 8.150 nan 0.000 0.418 64 V N -1.581 118.299 119.914 -0.056 0.000 3.156 64 V HA 0.921 5.041 4.120 0.000 0.000 0.311 64 V C 0.829 176.893 176.094 -0.049 0.000 1.208 64 V CA -0.016 62.245 62.300 -0.065 0.000 1.063 64 V CB 1.148 32.892 31.823 -0.132 0.000 1.098 64 V HN 1.552 nan 8.190 nan 0.000 0.452 65 A N 0.477 123.250 122.820 -0.078 0.000 1.911 65 A HA 0.602 4.922 4.320 0.000 0.000 0.212 65 A C 0.678 178.363 177.584 0.168 0.000 1.189 65 A CA 1.496 53.565 52.037 0.053 0.000 0.639 65 A CB -0.387 18.710 19.000 0.162 0.000 0.839 65 A HN 1.483 nan 8.150 nan 0.000 0.449 66 F N -5.371 114.597 119.950 0.029 0.000 2.664 66 F HA 0.626 5.153 4.527 0.000 0.000 0.317 66 F C 0.344 176.162 175.800 0.030 0.000 1.108 66 F CA -1.265 56.755 58.000 0.034 0.000 0.957 66 F CB 0.467 39.489 39.000 0.037 0.000 1.365 66 F HN -0.088 nan 8.300 nan 0.000 0.475 67 L N 1.654 123.020 121.223 0.238 0.000 2.021 67 L HA -0.172 4.168 4.340 0.000 0.000 0.215 67 L C 1.498 178.404 176.870 0.060 0.000 1.074 67 L CA 2.319 57.230 54.840 0.117 0.000 0.760 67 L CB -1.161 40.981 42.059 0.140 0.000 0.889 67 L HN 0.829 nan 8.230 nan 0.000 0.433 68 D N -0.755 119.752 120.400 0.178 0.000 2.149 68 D HA -0.242 4.398 4.640 0.000 0.000 0.194 68 D C 2.029 178.279 176.300 -0.084 0.000 1.001 68 D CA 1.820 55.881 54.000 0.102 0.000 0.849 68 D CB -0.126 40.864 40.800 0.316 0.000 0.939 68 D HN 0.540 nan 8.370 nan 0.000 0.449 69 E N 0.055 120.049 120.200 -0.343 0.000 2.150 69 E HA -0.112 4.239 4.350 0.000 0.000 0.193 69 E C 2.105 178.605 176.600 -0.166 0.000 0.985 69 E CA 0.830 57.042 56.400 -0.314 0.000 0.814 69 E CB -0.062 29.329 29.700 -0.516 0.000 0.752 69 E HN 0.309 nan 8.360 nan 0.000 0.466 70 A N 1.091 123.829 122.820 -0.138 0.000 1.897 70 A HA -0.106 4.214 4.320 0.000 0.000 0.215 70 A C 2.167 179.716 177.584 -0.059 0.000 1.181 70 A CA 0.801 52.787 52.037 -0.086 0.000 0.620 70 A CB -0.527 18.431 19.000 -0.070 0.000 0.821 70 A HN 0.109 nan 8.150 nan 0.000 0.443 71 L N -0.548 120.649 121.223 -0.043 0.000 2.083 71 L HA -0.194 4.147 4.340 0.000 0.000 0.209 71 L C 3.041 179.897 176.870 -0.024 0.000 1.083 71 L CA 1.029 55.852 54.840 -0.028 0.000 0.752 71 L CB -0.564 41.489 42.059 -0.009 0.000 0.899 71 L HN 0.423 nan 8.230 nan 0.000 0.433 72 A N 0.091 122.895 122.820 -0.027 0.000 1.933 72 A HA -0.157 4.163 4.320 0.000 0.000 0.218 72 A C 2.283 179.855 177.584 -0.020 0.000 1.175 72 A CA 1.422 53.449 52.037 -0.017 0.000 0.628 72 A CB -0.638 18.353 19.000 -0.016 0.000 0.814 72 A HN 0.361 nan 8.150 nan 0.000 0.444 73 L N -1.222 119.982 121.223 -0.032 0.000 2.093 73 L HA -0.151 4.190 4.340 0.000 0.000 0.208 73 L C 2.901 179.754 176.870 -0.029 0.000 1.085 73 L CA 0.853 55.675 54.840 -0.030 0.000 0.755 73 L CB -0.397 41.638 42.059 -0.039 0.000 0.904 73 L HN 0.284 nan 8.230 nan 0.000 0.435 74 R N 0.377 120.858 120.500 -0.032 0.000 2.070 74 R HA -0.149 4.192 4.340 0.000 0.000 0.233 74 R C 2.051 178.337 176.300 -0.023 0.000 1.137 74 R CA 1.371 57.453 56.100 -0.031 0.000 0.945 74 R CB -0.626 29.652 30.300 -0.037 0.000 0.845 74 R HN 0.490 nan 8.270 nan 0.000 0.430 75 E N 0.689 120.878 120.200 -0.018 0.000 2.118 75 E HA -0.186 4.164 4.350 0.000 0.000 0.195 75 E C 1.551 178.146 176.600 -0.009 0.000 0.992 75 E CA 1.103 57.497 56.400 -0.010 0.000 0.804 75 E CB -0.106 29.592 29.700 -0.004 0.000 0.741 75 E HN 0.307 nan 8.360 nan 0.000 0.458 76 K N -0.471 119.922 120.400 -0.011 0.000 2.551 76 K HA 0.024 4.345 4.320 0.000 0.000 0.192 76 K C 0.877 177.467 176.600 -0.016 0.000 1.027 76 K CA 0.435 56.715 56.287 -0.011 0.000 1.059 76 K CB 0.431 32.924 32.500 -0.012 0.000 0.831 76 K HN 0.284 nan 8.250 nan 0.000 0.508 77 G N 1.177 109.967 108.800 -0.016 0.000 2.157 77 G HA2 -0.197 3.763 3.960 0.000 0.000 0.239 77 G HA3 -0.197 3.763 3.960 0.000 0.000 0.239 77 G C 0.069 174.957 174.900 -0.020 0.000 0.982 77 G CA -0.525 44.565 45.100 -0.017 0.000 0.650 77 G HN 0.149 nan 8.290 nan 0.000 0.527 78 I N 1.079 121.635 120.570 -0.024 0.000 2.471 78 I HA 0.262 4.432 4.170 0.000 0.000 0.286 78 I C 1.207 177.307 176.117 -0.028 0.000 1.079 78 I CA 0.333 61.617 61.300 -0.027 0.000 1.398 78 I CB 1.179 39.161 38.000 -0.031 0.000 1.403 78 I HN 0.264 nan 8.210 nan 0.000 0.530 79 E N 3.658 123.843 120.200 -0.025 0.000 2.473 79 E HA 0.216 4.567 4.350 0.000 0.000 0.204 79 E C 0.766 177.347 176.600 -0.032 0.000 0.994 79 E CA -0.148 56.237 56.400 -0.026 0.000 0.945 79 E CB 0.693 30.382 29.700 -0.017 0.000 0.990 79 E HN 0.797 nan 8.360 nan 0.000 0.493 80 A N 2.190 124.989 122.820 -0.035 0.000 2.429 80 A HA 0.232 4.552 4.320 0.000 0.000 0.242 80 A C -2.256 175.292 177.584 -0.060 0.000 1.088 80 A CA -0.939 51.071 52.037 -0.045 0.000 0.784 80 A CB -0.299 18.674 19.000 -0.045 0.000 1.038 80 A HN -0.078 nan 8.150 nan 0.000 0.501 81 P HA 0.414 nan 4.420 nan 0.000 0.271 81 P C -0.918 176.320 177.300 -0.103 0.000 1.216 81 P CA 0.366 63.408 63.100 -0.095 0.000 0.776 81 P CB 0.425 32.050 31.700 -0.125 0.000 0.881 82 I N 2.380 122.888 120.570 -0.104 0.000 2.533 82 I HA 0.353 4.523 4.170 0.000 0.000 0.290 82 I C -0.680 175.355 176.117 -0.136 0.000 1.056 82 I CA -1.044 60.189 61.300 -0.111 0.000 1.057 82 I CB 2.035 39.984 38.000 -0.086 0.000 1.240 82 I HN 0.151 nan 8.210 nan 0.000 0.423 83 L N 7.555 128.674 121.223 -0.173 0.000 2.322 83 L HA 0.594 4.934 4.340 0.000 0.000 0.281 83 L C -0.916 175.874 176.870 -0.133 0.000 1.014 83 L CA -0.401 54.311 54.840 -0.214 0.000 0.815 83 L CB 1.824 43.647 42.059 -0.393 0.000 1.247 83 L HN 0.320 nan 8.230 nan 0.000 0.421 84 V N 7.034 126.901 119.914 -0.079 0.000 2.385 84 V HA 0.164 4.285 4.120 0.000 0.000 0.269 84 V C 1.193 177.298 176.094 0.019 0.000 1.043 84 V CA -0.182 62.107 62.300 -0.019 0.000 0.906 84 V CB 1.114 32.951 31.823 0.023 0.000 0.995 84 V HN 0.840 nan 8.190 nan 0.000 0.467 85 L N 4.161 125.401 121.223 0.029 0.000 2.313 85 L HA 0.174 4.514 4.340 0.000 0.000 0.214 85 L C 1.583 178.518 176.870 0.108 0.000 1.119 85 L CA 1.023 55.911 54.840 0.082 0.000 0.809 85 L CB -0.321 41.766 42.059 0.047 0.000 0.933 85 L HN 0.768 nan 8.230 nan 0.000 0.449 86 G N -0.760 108.106 108.800 0.110 0.000 2.671 86 G HA2 0.623 4.583 3.960 0.000 0.000 0.275 86 G HA3 0.623 4.583 3.960 0.000 0.000 0.275 86 G C -0.493 174.507 174.900 0.166 0.000 1.368 86 G CA -0.002 45.169 45.100 0.119 0.000 1.044 86 G HN 0.163 nan 8.290 nan 0.000 0.543 87 A N -0.933 122.001 122.820 0.190 0.000 2.296 87 A HA 0.698 5.019 4.320 0.000 0.000 0.264 87 A C 0.583 178.273 177.584 0.178 0.000 1.097 87 A CA 0.572 52.739 52.037 0.218 0.000 0.811 87 A CB 0.322 19.482 19.000 0.266 0.000 1.072 87 A HN 1.901 nan 8.150 nan 0.000 0.495 88 S N -0.429 115.392 115.700 0.201 0.000 2.656 88 S HA 0.668 5.138 4.470 0.000 0.000 0.273 88 S C -0.914 173.958 174.600 0.454 0.000 1.168 88 S CA -1.098 57.270 58.200 0.279 0.000 0.817 88 S CB 1.013 64.372 63.200 0.266 0.000 1.146 88 S HN 0.767 nan 8.310 nan 0.000 0.475 89 R N 0.515 121.208 120.500 0.321 0.000 2.349 89 R HA 0.410 4.750 4.340 0.000 0.000 0.299 89 R C -2.173 174.174 176.300 0.078 0.000 1.027 89 R CA -2.086 54.139 56.100 0.210 0.000 0.958 89 R CB 0.187 30.538 30.300 0.085 0.000 1.047 89 R HN 0.379 nan 8.270 nan 0.000 0.468 90 P HA -0.213 nan 4.420 nan 0.000 0.216 90 P C 0.941 178.040 177.300 -0.336 0.000 1.150 90 P CA 1.417 64.003 63.100 -0.857 0.000 0.843 90 P CB 0.131 31.230 31.700 -1.002 0.000 0.787 91 A N -0.668 122.047 122.820 -0.176 0.000 2.178 91 A HA -0.158 4.163 4.320 0.000 0.000 0.218 91 A C 1.500 179.066 177.584 -0.030 0.000 1.157 91 A CA 1.577 53.569 52.037 -0.075 0.000 0.689 91 A CB -0.998 17.977 19.000 -0.043 0.000 0.787 91 A HN 0.086 nan 8.150 nan 0.000 0.465 92 D N -1.025 119.368 120.400 -0.012 0.000 2.363 92 D HA 0.352 4.992 4.640 0.000 0.000 0.214 92 D C 1.804 178.103 176.300 -0.002 0.000 1.093 92 D CA 0.723 54.735 54.000 0.019 0.000 0.837 92 D CB 0.250 41.091 40.800 0.069 0.000 0.948 92 D HN 0.366 nan 8.370 nan 0.000 0.507 93 A N 1.027 123.825 122.820 -0.037 0.000 1.902 93 A HA -0.094 4.226 4.320 0.000 0.000 0.217 93 A C 2.291 179.661 177.584 -0.357 0.000 1.181 93 A CA 1.889 53.860 52.037 -0.110 0.000 0.623 93 A CB -0.455 18.495 19.000 -0.084 0.000 0.818 93 A HN 0.235 nan 8.150 nan 0.000 0.443 94 A N -0.447 122.156 122.820 -0.363 0.000 1.908 94 A HA -0.068 4.252 4.320 0.000 0.000 0.218 94 A C 2.149 179.633 177.584 -0.168 0.000 1.181 94 A CA 1.811 53.636 52.037 -0.354 0.000 0.627 94 A CB -0.650 18.382 19.000 0.054 0.000 0.818 94 A HN 0.763 nan 8.150 nan 0.000 0.445 95 L N -0.293 120.871 121.223 -0.097 0.000 2.046 95 L HA -0.047 4.294 4.340 0.000 0.000 0.208 95 L C 2.633 179.441 176.870 -0.104 0.000 1.077 95 L CA 2.273 57.069 54.840 -0.073 0.000 0.747 95 L CB -0.808 41.233 42.059 -0.029 0.000 0.896 95 L HN 0.333 nan 8.230 nan 0.000 0.432 96 A N -0.428 122.329 122.820 -0.104 0.000 1.898 96 A HA -0.065 4.255 4.320 0.000 0.000 0.216 96 A C 2.469 179.966 177.584 -0.145 0.000 1.181 96 A CA 1.777 53.754 52.037 -0.101 0.000 0.620 96 A CB -1.225 17.732 19.000 -0.072 0.000 0.819 96 A HN 0.585 nan 8.150 nan 0.000 0.442 97 A N -0.808 121.888 122.820 -0.206 0.000 1.883 97 A HA -0.270 4.050 4.320 0.000 0.000 0.217 97 A C 2.221 179.675 177.584 -0.218 0.000 1.186 97 A CA 1.938 53.871 52.037 -0.174 0.000 0.624 97 A CB -0.657 18.208 19.000 -0.224 0.000 0.822 97 A HN 0.656 nan 8.150 nan 0.000 0.444 98 Q N -1.181 118.420 119.800 -0.331 0.000 2.124 98 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 98 Q C 1.647 177.408 176.000 -0.399 0.000 0.977 98 Q CA 1.385 56.814 55.803 -0.624 0.000 0.850 98 Q CB -0.058 28.411 28.738 -0.449 0.000 0.901 98 Q HN 0.648 nan 8.270 nan 0.000 0.429 99 Q N 0.095 119.761 119.800 -0.223 0.000 2.403 99 Q HA 0.051 4.391 4.340 0.000 0.000 0.203 99 Q C -0.396 175.538 176.000 -0.109 0.000 0.932 99 Q CA 0.213 55.929 55.803 -0.145 0.000 0.945 99 Q CB 0.423 29.102 28.738 -0.099 0.000 1.045 99 Q HN 0.341 nan 8.270 nan 0.000 0.511 100 R N 0.310 120.746 120.500 -0.107 0.000 3.201 100 R HA -0.148 4.192 4.340 0.000 0.000 0.254 100 R C -0.808 175.468 176.300 -0.040 0.000 0.978 100 R CA 0.295 56.370 56.100 -0.043 0.000 0.661 100 R CB -2.392 27.890 30.300 -0.029 0.000 1.170 100 R HN 0.191 nan 8.270 nan 0.000 0.430 101 I N 0.672 121.211 120.570 -0.052 0.000 2.389 101 I HA 0.444 4.614 4.170 0.000 0.000 0.288 101 I C 0.831 176.915 176.117 -0.054 0.000 0.999 101 I CA -0.723 60.544 61.300 -0.056 0.000 1.129 101 I CB 1.820 39.785 38.000 -0.057 0.000 1.288 101 I HN 0.285 nan 8.210 nan 0.000 0.444 102 A N 7.697 130.486 122.820 -0.052 0.000 2.407 102 A HA 0.723 5.043 4.320 0.000 0.000 0.248 102 A C -0.431 177.129 177.584 -0.040 0.000 1.082 102 A CA -0.071 51.948 52.037 -0.030 0.000 0.785 102 A CB 0.406 19.386 19.000 -0.033 0.000 1.020 102 A HN 0.708 nan 8.150 nan 0.000 0.489 103 L N 0.924 122.150 121.223 0.005 0.000 2.333 103 L HA 0.482 4.823 4.340 0.000 0.000 0.269 103 L C 0.257 177.230 176.870 0.172 0.000 1.010 103 L CA -0.676 54.202 54.840 0.065 0.000 0.818 103 L CB 2.257 44.362 42.059 0.076 0.000 1.306 103 L HN 0.655 nan 8.230 nan 0.000 0.430 104 T N 1.330 115.958 114.554 0.125 0.000 2.882 104 T HA 0.479 4.829 4.350 0.000 0.000 0.287 104 T C -0.723 173.968 174.700 -0.014 0.000 0.992 104 T CA -0.247 61.972 62.100 0.199 0.000 1.076 104 T CB 1.901 70.927 68.868 0.262 0.000 0.961 104 T HN 0.309 nan 8.240 nan 0.000 0.490 105 V N 4.688 124.580 119.914 -0.037 0.000 2.841 105 V HA 0.740 4.860 4.120 0.000 0.000 0.310 105 V C -1.282 174.718 176.094 -0.157 0.000 1.090 105 V CA -0.802 61.245 62.300 -0.422 0.000 0.930 105 V CB 1.638 33.100 31.823 -0.603 0.000 1.014 105 V HN 0.949 nan 8.190 nan 0.000 0.425 106 F N 3.167 122.959 119.950 -0.263 0.000 3.083 106 F HA 0.611 5.138 4.527 0.001 0.000 0.355 106 F C 0.104 175.844 175.800 -0.101 0.000 1.194 106 F CA -0.699 57.207 58.000 -0.157 0.000 1.027 106 F CB 0.139 39.051 39.000 -0.146 0.000 1.386 106 F HN 0.293 nan 8.300 nan 0.000 0.513 107 R N 0.707 120.984 120.500 -0.372 0.000 2.621 107 R HA 0.410 4.750 4.340 0.000 0.000 0.284 107 R C 0.717 176.960 176.300 -0.094 0.000 0.998 107 R CA 0.037 56.039 56.100 -0.163 0.000 0.895 107 R CB 2.049 32.241 30.300 -0.179 0.000 1.195 107 R HN 0.180 nan 8.270 nan 0.000 0.450 108 S N 0.249 115.935 115.700 -0.024 0.000 2.461 108 S HA -0.143 4.327 4.470 0.000 0.000 0.228 108 S C 1.222 175.845 174.600 0.039 0.000 1.005 108 S CA 1.285 59.486 58.200 0.003 0.000 0.942 108 S CB -0.099 63.106 63.200 0.008 0.000 0.776 108 S HN 0.750 nan 8.310 nan 0.000 0.514 109 D N 0.208 120.633 120.400 0.043 0.000 2.269 109 D HA -0.128 4.513 4.640 0.000 0.000 0.208 109 D C 1.499 177.845 176.300 0.076 0.000 0.963 109 D CA 0.342 54.371 54.000 0.049 0.000 0.864 109 D CB -0.943 39.880 40.800 0.038 0.000 0.936 109 D HN 0.665 nan 8.370 nan 0.000 0.505 110 W N 0.941 122.163 121.300 -0.131 0.000 2.418 110 W HA 0.110 4.770 4.660 0.001 0.000 0.292 110 W C 1.857 178.303 176.519 -0.122 0.000 1.213 110 W CA 0.700 57.956 57.345 -0.149 0.000 1.283 110 W CB -0.059 29.240 29.460 -0.268 0.000 1.119 110 W HN -0.097 nan 8.180 nan 0.000 0.542 111 L N 0.389 121.790 121.223 0.297 0.000 2.156 111 L HA -0.140 4.201 4.340 0.000 0.000 0.208 111 L C 2.326 179.287 176.870 0.152 0.000 1.095 111 L CA 1.428 56.391 54.840 0.205 0.000 0.770 111 L CB -0.631 41.473 42.059 0.075 0.000 0.914 111 L HN -0.018 nan 8.230 nan 0.000 0.439 112 E N -0.187 120.067 120.200 0.092 0.000 2.077 112 E HA -0.279 4.071 4.350 0.000 0.000 0.193 112 E C 2.053 178.673 176.600 0.033 0.000 0.989 112 E CA 1.309 57.752 56.400 0.072 0.000 0.800 112 E CB 0.050 29.774 29.700 0.041 0.000 0.746 112 E HN 0.409 nan 8.360 nan 0.000 0.452 113 E N 0.041 120.211 120.200 -0.050 0.000 2.047 113 E HA -0.177 4.173 4.350 0.000 0.000 0.191 113 E C 2.006 178.526 176.600 -0.132 0.000 0.987 113 E CA 0.886 57.213 56.400 -0.122 0.000 0.799 113 E CB -0.037 29.522 29.700 -0.234 0.000 0.752 113 E HN 0.233 nan 8.360 nan 0.000 0.449 114 A N 0.279 122.970 122.820 -0.215 0.000 1.930 114 A HA -0.138 4.183 4.320 0.000 0.000 0.217 114 A C 2.315 180.051 177.584 0.253 0.000 1.175 114 A CA 1.576 53.557 52.037 -0.094 0.000 0.627 114 A CB -0.436 18.416 19.000 -0.248 0.000 0.815 114 A HN 0.203 nan 8.150 nan 0.000 0.443 115 S N -0.199 115.688 115.700 0.313 0.000 2.370 115 S HA -0.081 4.390 4.470 0.000 0.000 0.226 115 S C 2.220 176.930 174.600 0.183 0.000 1.033 115 S CA 1.225 59.587 58.200 0.270 0.000 1.011 115 S CB -0.388 62.963 63.200 0.252 0.000 0.852 115 S HN 0.799 nan 8.310 nan 0.000 0.457 116 A N 0.446 123.333 122.820 0.112 0.000 2.067 116 A HA 0.137 4.458 4.320 0.000 0.000 0.219 116 A C 1.931 179.558 177.584 0.071 0.000 1.158 116 A CA 0.857 52.935 52.037 0.067 0.000 0.661 116 A CB -0.345 18.674 19.000 0.031 0.000 0.801 116 A HN 0.475 nan 8.150 nan 0.000 0.452 117 L N -3.171 118.111 121.223 0.097 0.000 2.357 117 L HA 0.212 4.552 4.340 0.000 0.000 0.211 117 L C 0.814 177.806 176.870 0.203 0.000 1.075 117 L CA 0.186 55.090 54.840 0.106 0.000 0.830 117 L CB 0.011 42.104 42.059 0.056 0.000 0.996 117 L HN 0.487 nan 8.230 nan 0.000 0.467 118 Y N 0.032 120.392 120.300 0.099 0.000 2.387 118 Y HA 0.302 4.852 4.550 0.000 0.000 0.336 118 Y C 0.232 176.245 175.900 0.190 0.000 1.067 118 Y CA -0.635 57.538 58.100 0.122 0.000 1.114 118 Y CB 1.590 40.149 38.460 0.165 0.000 1.208 118 Y HN -0.050 nan 8.280 nan 0.000 0.458 119 S N 3.009 118.390 115.700 -0.532 0.000 2.686 119 S HA 0.572 5.043 4.470 0.000 0.000 0.223 119 S C -0.042 174.140 174.600 -0.697 0.000 0.885 119 S CA -0.182 57.823 58.200 -0.325 0.000 1.115 119 S CB -0.004 63.107 63.200 -0.148 0.000 1.459 119 S HN 1.583 nan 8.310 nan 0.000 0.444 120 G N 3.070 110.977 108.800 -1.488 0.000 2.728 120 G HA2 -0.079 3.882 3.960 0.000 0.000 0.294 120 G HA3 -0.079 3.882 3.960 0.000 0.000 0.294 120 G C -2.104 172.328 174.900 -0.780 0.000 1.342 120 G CA -0.202 43.950 45.100 -1.579 0.000 0.866 120 G HN 0.357 nan 8.290 nan 0.000 0.534 121 P HA 0.235 nan 4.420 nan 0.000 0.245 121 P C 0.355 177.387 177.300 -0.447 0.000 1.203 121 P CA 0.411 63.140 63.100 -0.618 0.000 0.792 121 P CB 0.108 31.472 31.700 -0.560 0.000 0.997 122 F N 3.314 123.271 119.950 0.012 0.000 2.399 122 F HA 0.369 4.896 4.527 0.000 0.000 0.342 122 F C -1.711 174.231 175.800 0.236 0.000 1.106 122 F CA -2.894 55.192 58.000 0.143 0.000 1.196 122 F CB -0.149 38.945 39.000 0.156 0.000 1.163 122 F HN -0.136 nan 8.300 nan 0.000 0.547 123 P HA 0.318 nan 4.420 nan 0.000 0.284 123 P C -0.684 176.622 177.300 0.011 0.000 1.253 123 P CA -0.174 63.059 63.100 0.221 0.000 0.800 123 P CB 1.452 33.188 31.700 0.060 0.000 0.961 124 I N 3.284 123.823 120.570 -0.053 0.000 2.339 124 I HA 0.256 4.426 4.170 0.000 0.000 0.290 124 I C 0.297 176.040 176.117 -0.622 0.000 0.994 124 I CA -0.746 60.334 61.300 -0.366 0.000 1.191 124 I CB 0.499 38.190 38.000 -0.515 0.000 1.343 124 I HN 0.347 nan 8.210 nan 0.000 0.458 125 H N 5.971 124.847 119.070 -0.323 0.000 2.652 125 H HA 0.402 4.958 4.556 0.001 0.000 0.298 125 H C -0.826 174.365 175.328 -0.228 0.000 1.076 125 H CA -0.060 55.879 56.048 -0.182 0.000 1.360 125 H CB 0.631 30.383 29.762 -0.016 0.000 1.421 125 H HN 0.312 nan 8.280 nan 0.000 0.464 126 F N 1.476 121.528 119.950 0.170 0.000 2.440 126 F HA 0.313 4.840 4.527 0.000 0.000 0.328 126 F C 0.630 176.549 175.800 0.198 0.000 1.070 126 F CA -0.494 57.581 58.000 0.126 0.000 1.011 126 F CB 1.134 40.123 39.000 -0.018 0.000 1.226 126 F HN 0.509 nan 8.300 nan 0.000 0.491 127 H N 2.740 121.995 119.070 0.309 0.000 2.800 127 H HA 0.277 4.834 4.556 0.000 0.000 0.322 127 H C -0.667 174.828 175.328 0.278 0.000 0.979 127 H CA -0.837 55.392 56.048 0.300 0.000 1.277 127 H CB 2.136 32.091 29.762 0.321 0.000 1.484 127 H HN 0.443 nan 8.280 nan 0.000 0.512 131 D N 2.217 122.540 120.400 -0.128 0.000 2.339 131 D HA 0.302 4.942 4.640 0.000 0.000 0.241 131 D C 0.752 177.006 176.300 -0.077 0.000 1.183 131 D CA 0.366 54.299 54.000 -0.113 0.000 0.859 131 D CB 1.180 41.945 40.800 -0.059 0.000 1.067 131 D HN 0.708 nan 8.370 nan 0.000 0.484 132 T N 0.274 114.754 114.554 -0.124 0.000 3.092 132 T HA 0.426 4.776 4.350 0.000 0.000 0.258 132 T C 1.118 175.796 174.700 -0.037 0.000 1.031 132 T CA 0.126 62.149 62.100 -0.129 0.000 0.925 132 T CB 0.485 69.215 68.868 -0.231 0.000 1.036 132 T HN 0.444 nan 8.240 nan 0.000 0.544 133 G N 1.069 109.911 108.800 0.070 0.000 2.834 133 G HA2 -0.096 3.864 3.960 0.000 0.000 0.217 133 G HA3 -0.096 3.864 3.960 0.000 0.000 0.217 133 G C 0.433 175.503 174.900 0.283 0.000 0.974 133 G CA 0.162 45.411 45.100 0.248 0.000 0.826 133 G HN 0.341 nan 8.290 nan 0.000 0.584 134 M N 1.070 120.755 119.600 0.142 0.000 2.435 134 M HA 0.444 4.925 4.480 0.000 0.000 0.265 134 M C 1.987 178.335 176.300 0.079 0.000 1.104 134 M CA 2.175 57.553 55.300 0.131 0.000 1.140 134 M CB 0.026 32.676 32.600 0.085 0.000 1.372 134 M HN 1.331 nan 8.290 nan 0.000 0.456 135 G N 0.654 109.482 108.800 0.048 0.000 2.168 135 G HA2 -0.358 3.603 3.960 0.000 0.000 0.263 135 G HA3 -0.358 3.603 3.960 0.000 0.000 0.263 135 G C 0.983 175.867 174.900 -0.028 0.000 0.977 135 G CA 0.904 46.015 45.100 0.018 0.000 0.659 135 G HN 0.530 nan 8.290 nan 0.000 0.533 136 R N -0.863 119.603 120.500 -0.056 0.000 2.009 136 R HA 0.641 4.981 4.340 0.000 0.000 0.213 136 R C 0.987 177.163 176.300 -0.206 0.000 1.297 136 R CA 0.633 56.670 56.100 -0.105 0.000 1.008 136 R CB 0.004 30.249 30.300 -0.092 0.000 0.852 136 R HN 0.344 nan 8.270 nan 0.000 0.475 137 L N -0.882 120.158 121.223 -0.304 0.000 2.301 137 L HA 0.603 4.943 4.340 0.000 0.000 0.264 137 L C -0.490 176.102 176.870 -0.463 0.000 1.016 137 L CA -0.564 53.931 54.840 -0.574 0.000 0.821 137 L CB 2.247 43.819 42.059 -0.811 0.000 1.346 137 L HN 0.736 nan 8.230 nan 0.000 0.429 138 G N 0.172 108.671 108.800 -0.502 0.000 2.484 138 G HA2 0.007 3.968 3.960 0.000 0.000 0.685 138 G HA3 0.007 3.968 3.960 0.000 0.000 0.685 138 G C -1.510 173.383 174.900 -0.012 0.000 1.294 138 G CA -0.579 44.406 45.100 -0.192 0.000 0.879 138 G HN 0.479 nan 8.290 nan 0.000 0.646 139 V N 1.518 121.464 119.914 0.055 0.000 2.811 139 V HA 0.577 4.697 4.120 0.000 0.000 0.302 139 V C 1.082 177.246 176.094 0.117 0.000 1.063 139 V CA 0.709 63.072 62.300 0.104 0.000 1.088 139 V CB 1.377 33.273 31.823 0.121 0.000 0.982 139 V HN 0.836 nan 8.190 nan 0.000 0.485 140 K N 2.570 123.055 120.400 0.142 0.000 2.424 140 K HA 0.210 4.531 4.320 0.000 0.000 0.198 140 K C 0.074 176.832 176.600 0.263 0.000 1.190 140 K CA 0.105 56.499 56.287 0.178 0.000 0.935 140 K CB 0.452 33.021 32.500 0.115 0.000 1.087 140 K HN 0.928 nan 8.250 nan 0.000 0.524 141 D N 0.304 120.782 120.400 0.131 0.000 2.350 141 D HA 0.043 4.683 4.640 0.000 0.000 0.238 141 D C 0.418 176.497 176.300 -0.369 0.000 0.989 141 D CA -0.353 53.598 54.000 -0.081 0.000 0.921 141 D CB 2.274 43.018 40.800 -0.093 0.000 1.297 141 D HN -0.042 nan 8.370 nan 0.000 0.490 142 E N 0.563 120.139 120.200 -1.041 0.000 2.150 142 E HA -0.241 4.109 4.350 0.000 0.000 0.193 142 E C 1.422 177.735 176.600 -0.480 0.000 0.985 142 E CA 0.851 56.535 56.400 -1.193 0.000 0.814 142 E CB 0.124 28.753 29.700 -1.784 0.000 0.752 142 E HN 0.599 nan 8.360 nan 0.000 0.466 143 E N 0.478 120.474 120.200 -0.339 0.000 2.077 143 E HA -0.258 4.093 4.350 0.000 0.000 0.193 143 E C 1.959 178.492 176.600 -0.112 0.000 0.989 143 E CA 1.501 57.790 56.400 -0.185 0.000 0.800 143 E CB 0.017 29.635 29.700 -0.137 0.000 0.746 143 E HN 0.236 nan 8.360 nan 0.000 0.452 144 E N -0.138 120.009 120.200 -0.089 0.000 2.106 144 E HA -0.109 4.241 4.350 0.000 0.000 0.192 144 E C 1.919 178.512 176.600 -0.011 0.000 0.984 144 E CA 1.847 58.228 56.400 -0.031 0.000 0.806 144 E CB -0.241 29.458 29.700 -0.002 0.000 0.750 144 E HN 0.119 nan 8.360 nan 0.000 0.458 145 T N 1.231 115.785 114.554 0.000 0.000 2.652 145 T HA -0.136 4.215 4.350 0.000 0.000 0.267 145 T C 1.590 176.308 174.700 0.030 0.000 1.039 145 T CA 1.640 63.776 62.100 0.060 0.000 1.153 145 T CB -0.150 68.829 68.868 0.185 0.000 0.863 145 T HN 0.131 nan 8.240 nan 0.000 0.428 146 K N 1.001 121.395 120.400 -0.009 0.000 2.097 146 K HA -0.039 4.281 4.320 0.000 0.000 0.206 146 K C 2.386 178.985 176.600 -0.001 0.000 1.049 146 K CA 1.038 57.320 56.287 -0.008 0.000 0.933 146 K CB -0.310 32.164 32.500 -0.044 0.000 0.717 146 K HN 0.238 nan 8.250 nan 0.000 0.442 147 R N 1.121 121.615 120.500 -0.011 0.000 2.081 147 R HA -0.003 4.337 4.340 0.000 0.000 0.235 147 R C 2.352 178.660 176.300 0.013 0.000 1.131 147 R CA 0.874 56.974 56.100 0.000 0.000 0.960 147 R CB -0.256 30.040 30.300 -0.006 0.000 0.856 147 R HN 0.099 nan 8.270 nan 0.000 0.436 148 I N -0.295 120.278 120.570 0.005 0.000 2.179 148 I HA -0.272 3.898 4.170 0.000 0.000 0.242 148 I C 2.003 178.128 176.117 0.013 0.000 1.088 148 I CA 1.101 62.397 61.300 -0.008 0.000 1.357 148 I CB -0.117 37.865 38.000 -0.031 0.000 1.051 148 I HN 0.043 nan 8.210 nan 0.000 0.409 149 V N 0.926 120.857 119.914 0.028 0.000 2.407 149 V HA -0.306 3.814 4.120 0.000 0.000 0.248 149 V C 2.643 178.776 176.094 0.065 0.000 1.055 149 V CA 1.942 64.271 62.300 0.049 0.000 1.049 149 V CB -1.064 30.787 31.823 0.047 0.000 0.662 149 V HN 0.503 nan 8.190 nan 0.000 0.455 150 A N -0.299 122.552 122.820 0.051 0.000 1.877 150 A HA -0.150 4.170 4.320 0.000 0.000 0.216 150 A C 2.219 179.853 177.584 0.083 0.000 1.186 150 A CA 1.755 53.824 52.037 0.054 0.000 0.620 150 A CB -0.549 18.472 19.000 0.034 0.000 0.822 150 A HN 0.484 nan 8.150 nan 0.000 0.443 151 L N -0.485 120.795 121.223 0.095 0.000 2.131 151 L HA -0.159 4.181 4.340 0.000 0.000 0.210 151 L C 2.446 179.470 176.870 0.258 0.000 1.092 151 L CA 0.974 55.904 54.840 0.151 0.000 0.759 151 L CB -0.342 41.804 42.059 0.145 0.000 0.903 151 L HN 0.413 nan 8.230 nan 0.000 0.435 152 I N -0.608 120.102 120.570 0.234 0.000 2.233 152 I HA -0.266 3.904 4.170 0.000 0.000 0.243 152 I C 2.423 178.715 176.117 0.293 0.000 1.093 152 I CA 1.179 62.685 61.300 0.343 0.000 1.380 152 I CB -0.167 37.962 38.000 0.213 0.000 1.067 152 I HN 0.237 nan 8.210 nan 0.000 0.413 153 E N 0.759 121.066 120.200 0.178 0.000 2.085 153 E HA -0.267 4.083 4.350 0.000 0.000 0.194 153 E C 2.294 178.955 176.600 0.102 0.000 0.994 153 E CA 1.325 57.800 56.400 0.126 0.000 0.801 153 E CB -0.013 29.736 29.700 0.082 0.000 0.743 153 E HN 0.189 nan 8.360 nan 0.000 0.453 154 R N -0.292 120.267 120.500 0.098 0.000 2.091 154 R HA -0.108 4.232 4.340 0.000 0.000 0.238 154 R C 0.902 177.206 176.300 0.008 0.000 1.136 154 R CA 0.909 57.036 56.100 0.046 0.000 0.959 154 R CB -0.152 30.175 30.300 0.046 0.000 0.856 154 R HN 0.204 nan 8.270 nan 0.000 0.437 155 H N 1.140 120.177 119.070 -0.054 0.000 2.767 155 H HA 0.051 4.607 4.556 0.000 0.000 0.316 155 H C -1.713 173.514 175.328 -0.168 0.000 1.059 155 H CA -1.915 53.999 56.048 -0.223 0.000 1.461 155 H CB 1.709 31.070 29.762 -0.668 0.000 1.475 155 H HN 0.095 nan 8.280 nan 0.000 0.531 156 P HA -0.113 nan 4.420 nan 0.000 0.225 156 P C 0.571 177.695 177.300 -0.295 0.000 1.148 156 P CA 1.269 64.179 63.100 -0.316 0.000 0.779 156 P CB 0.442 31.808 31.700 -0.557 0.000 0.780 157 H N -2.545 116.756 119.070 0.385 0.000 2.652 157 H HA 0.215 4.771 4.556 0.000 0.000 0.274 157 H C 0.273 175.864 175.328 0.438 0.000 1.021 157 H CA -0.310 55.938 56.048 0.334 0.000 1.187 157 H CB 0.094 30.052 29.762 0.326 0.000 1.505 157 H HN 0.076 nan 8.280 nan 0.000 0.530 158 F N 1.964 122.102 119.950 0.313 0.000 2.411 158 F HA 0.314 4.841 4.527 0.001 0.000 0.350 158 F C 0.461 176.395 175.800 0.224 0.000 1.114 158 F CA -1.156 57.023 58.000 0.297 0.000 1.135 158 F CB 1.201 40.435 39.000 0.389 0.000 1.120 158 F HN -0.308 nan 8.300 nan 0.000 0.495 159 V N 5.371 125.480 119.914 0.324 0.000 2.531 159 V HA 0.277 4.398 4.120 0.000 0.000 0.301 159 V C -0.684 175.576 176.094 0.277 0.000 1.034 159 V CA -0.898 61.534 62.300 0.221 0.000 0.865 159 V CB 2.288 34.153 31.823 0.069 0.000 0.995 159 V HN 0.459 nan 8.190 nan 0.000 0.424 160 L N 4.066 125.435 121.223 0.242 0.000 2.334 160 L HA 0.383 4.723 4.340 0.000 0.000 0.286 160 L C 1.224 178.166 176.870 0.119 0.000 1.108 160 L CA 0.710 55.667 54.840 0.196 0.000 0.875 160 L CB 0.396 42.538 42.059 0.139 0.000 1.246 160 L HN 0.851 nan 8.230 nan 0.000 0.439 161 E N 2.786 123.039 120.200 0.088 0.000 2.299 161 E HA 0.196 4.546 4.350 0.000 0.000 0.193 161 E C 0.521 176.968 176.600 -0.254 0.000 0.998 161 E CA 0.595 56.981 56.400 -0.024 0.000 0.851 161 E CB 0.374 30.098 29.700 0.039 0.000 0.795 161 E HN 0.789 nan 8.360 nan 0.000 0.492 162 G N 0.291 108.830 108.800 -0.435 0.000 2.550 162 G HA2 0.482 4.443 3.960 0.000 0.000 0.293 162 G HA3 0.482 4.443 3.960 0.000 0.000 0.293 162 G C -1.793 173.054 174.900 -0.090 0.000 1.402 162 G CA -0.515 44.372 45.100 -0.355 0.000 0.784 162 G HN 0.218 nan 8.290 nan 0.000 0.482 163 L N -1.015 120.264 121.223 0.093 0.000 2.545 163 L HA 0.913 5.253 4.340 0.000 0.000 0.258 163 L C -1.396 175.556 176.870 0.136 0.000 0.942 163 L CA -1.079 53.851 54.840 0.149 0.000 0.855 163 L CB 2.149 44.244 42.059 0.059 0.000 1.374 163 L HN 1.277 nan 8.230 nan 0.000 0.411 164 Y N 0.005 120.169 120.300 -0.227 0.000 2.744 164 Y HA 0.920 5.470 4.550 0.000 0.000 0.330 164 Y C -0.944 174.654 175.900 -0.502 0.000 1.263 164 Y CA -0.567 57.235 58.100 -0.496 0.000 1.065 164 Y CB 1.308 39.131 38.460 -1.062 0.000 1.306 164 Y HN 0.813 nan 8.280 nan 0.000 0.459 165 T N -0.750 113.323 114.554 -0.802 0.000 2.778 165 T HA 0.532 4.883 4.350 0.000 0.000 0.293 165 T C -2.400 171.953 174.700 -0.578 0.000 1.144 165 T CA -0.436 61.160 62.100 -0.840 0.000 1.010 165 T CB 1.347 69.531 68.868 -1.141 0.000 1.325 165 T HN 1.002 nan 8.240 nan 0.000 0.515 166 H N -0.132 118.567 119.070 -0.619 0.000 2.806 166 H HA 0.611 5.168 4.556 0.001 0.000 0.367 166 H C -1.482 173.612 175.328 -0.391 0.000 1.136 166 H CA -0.742 55.045 56.048 -0.435 0.000 1.178 166 H CB 0.805 30.468 29.762 -0.165 0.000 1.718 166 H HN 0.473 nan 8.280 nan 0.000 0.540 167 F N 2.534 122.214 119.950 -0.450 0.000 2.385 167 F HA 0.430 4.958 4.527 0.001 0.000 0.336 167 F C 1.273 176.961 175.800 -0.186 0.000 1.100 167 F CA -0.048 57.835 58.000 -0.195 0.000 1.116 167 F CB 1.631 40.669 39.000 0.063 0.000 1.166 167 F HN 0.733 nan 8.300 nan 0.000 0.511 168 A N 0.963 123.941 122.820 0.264 0.000 2.095 168 A HA 0.043 4.363 4.320 0.000 0.000 0.212 168 A C 1.306 179.024 177.584 0.224 0.000 1.162 168 A CA 1.149 53.322 52.037 0.226 0.000 0.753 168 A CB -0.436 18.745 19.000 0.302 0.000 0.840 168 A HN 0.764 nan 8.150 nan 0.000 0.468 169 T N -4.752 109.985 114.554 0.305 0.000 3.516 169 T HA 0.525 4.876 4.350 0.000 0.000 0.300 169 T C 0.978 175.783 174.700 0.176 0.000 0.995 169 T CA 0.560 62.797 62.100 0.227 0.000 0.982 169 T CB 0.215 69.238 68.868 0.259 0.000 1.199 169 T HN 0.395 nan 8.240 nan 0.000 0.481 170 A N 2.238 125.165 122.820 0.178 0.000 2.178 170 A HA 0.019 4.339 4.320 0.000 0.000 0.218 170 A C 1.800 179.340 177.584 -0.073 0.000 1.157 170 A CA 1.252 53.277 52.037 -0.019 0.000 0.689 170 A CB -0.438 18.625 19.000 0.105 0.000 0.787 170 A HN 0.716 nan 8.150 nan 0.000 0.465 171 D N -0.406 120.004 120.400 0.017 0.000 2.368 171 D HA 0.061 4.701 4.640 0.000 0.000 0.218 171 D C -0.067 176.233 176.300 -0.001 0.000 1.112 171 D CA -0.102 53.902 54.000 0.006 0.000 0.834 171 D CB -0.226 40.612 40.800 0.063 0.000 0.953 171 D HN 0.501 nan 8.370 nan 0.000 0.505 172 E N 0.222 120.423 120.200 0.002 0.000 2.214 172 E HA 0.225 4.575 4.350 0.000 0.000 0.274 172 E C 0.917 177.513 176.600 -0.008 0.000 0.977 172 E CA -0.760 55.646 56.400 0.010 0.000 0.827 172 E CB 2.910 32.632 29.700 0.037 0.000 1.130 172 E HN -0.192 nan 8.360 nan 0.000 0.394 173 V N 1.529 121.439 119.914 -0.006 0.000 2.407 173 V HA -0.202 3.919 4.120 0.000 0.000 0.248 173 V C 1.216 177.318 176.094 0.014 0.000 1.055 173 V CA 1.245 63.541 62.300 -0.008 0.000 1.049 173 V CB -0.582 31.238 31.823 -0.006 0.000 0.662 173 V HN 0.695 nan 8.190 nan 0.000 0.455 174 N N 1.375 120.091 118.700 0.027 0.000 2.470 174 N HA -0.023 4.718 4.740 0.000 0.000 0.268 174 N C 0.889 176.442 175.510 0.072 0.000 1.136 174 N CA 0.806 53.884 53.050 0.046 0.000 0.961 174 N CB 1.453 39.967 38.487 0.045 0.000 1.067 174 N HN 0.448 nan 8.380 nan 0.000 0.468 175 T N -0.022 114.583 114.554 0.085 0.000 3.186 175 T HA 0.098 4.448 4.350 0.000 0.000 0.257 175 T C 0.655 175.459 174.700 0.173 0.000 1.029 175 T CA -0.259 61.919 62.100 0.131 0.000 0.916 175 T CB 0.156 69.081 68.868 0.096 0.000 1.041 175 T HN 0.324 nan 8.240 nan 0.000 0.562 176 D N 1.317 121.806 120.400 0.148 0.000 2.103 176 D HA -0.135 4.505 4.640 0.000 0.000 0.190 176 D C 1.372 177.813 176.300 0.235 0.000 0.997 176 D CA 1.407 55.500 54.000 0.155 0.000 0.833 176 D CB -0.420 40.456 40.800 0.126 0.000 0.961 176 D HN 0.458 nan 8.370 nan 0.000 0.447 177 Y N 0.020 120.398 120.300 0.130 0.000 2.242 177 Y HA -0.143 4.407 4.550 0.000 0.000 0.291 177 Y C 2.148 178.190 175.900 0.236 0.000 1.137 177 Y CA 0.740 58.947 58.100 0.178 0.000 1.181 177 Y CB -0.576 37.965 38.460 0.135 0.000 0.989 177 Y HN -0.061 nan 8.280 nan 0.000 0.527 178 F N -0.109 119.880 119.950 0.066 0.000 2.126 178 F HA -0.233 4.294 4.527 0.000 0.000 0.299 178 F C 2.422 178.120 175.800 -0.171 0.000 1.096 178 F CA 2.076 59.994 58.000 -0.136 0.000 1.255 178 F CB -0.709 38.179 39.000 -0.188 0.000 0.997 178 F HN -0.097 nan 8.300 nan 0.000 0.479 179 S N -0.755 114.913 115.700 -0.053 0.000 2.383 179 S HA -0.226 4.245 4.470 0.000 0.000 0.227 179 S C 1.758 176.302 174.600 -0.094 0.000 1.026 179 S CA 1.220 59.341 58.200 -0.132 0.000 0.981 179 S CB -0.821 62.373 63.200 -0.010 0.000 0.818 179 S HN 0.684 nan 8.310 nan 0.000 0.472 180 Y N 2.178 122.391 120.300 -0.145 0.000 2.181 180 Y HA -0.156 4.395 4.550 0.000 0.000 0.288 180 Y C 2.302 178.081 175.900 -0.202 0.000 1.146 180 Y CA 1.646 59.652 58.100 -0.155 0.000 1.164 180 Y CB -0.515 37.846 38.460 -0.165 0.000 0.982 180 Y HN 0.230 nan 8.280 nan 0.000 0.515 181 Q N -1.170 118.339 119.800 -0.484 0.000 2.046 181 Q HA -0.245 4.096 4.340 0.000 0.000 0.200 181 Q C 2.113 177.995 176.000 -0.197 0.000 0.975 181 Q CA 1.912 57.461 55.803 -0.423 0.000 0.836 181 Q CB -0.580 28.092 28.738 -0.110 0.000 0.896 181 Q HN 0.672 nan 8.270 nan 0.000 0.428 182 Y N 1.357 121.474 120.300 -0.304 0.000 2.165 182 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 182 Y C 2.348 178.195 175.900 -0.088 0.000 1.155 182 Y CA 1.874 59.881 58.100 -0.154 0.000 1.164 182 Y CB -0.239 37.953 38.460 -0.447 0.000 0.978 182 Y HN 0.020 nan 8.280 nan 0.000 0.513 183 T N 0.605 115.110 114.554 -0.082 0.000 2.777 183 T HA -0.149 4.201 4.350 0.000 0.000 0.266 183 T C 2.027 176.599 174.700 -0.214 0.000 1.040 183 T CA 1.181 63.208 62.100 -0.122 0.000 1.141 183 T CB -0.190 68.617 68.868 -0.101 0.000 0.868 183 T HN 0.185 nan 8.240 nan 0.000 0.444 184 R N 0.173 120.463 120.500 -0.350 0.000 2.091 184 R HA -0.042 4.299 4.340 0.000 0.000 0.238 184 R C 2.189 178.360 176.300 -0.214 0.000 1.136 184 R CA 1.090 56.980 56.100 -0.349 0.000 0.959 184 R CB -0.872 29.092 30.300 -0.560 0.000 0.856 184 R HN 0.378 nan 8.270 nan 0.000 0.437 185 F N 1.552 121.269 119.950 -0.388 0.000 2.069 185 F HA -0.168 4.359 4.527 0.000 0.000 0.298 185 F C 2.150 177.708 175.800 -0.403 0.000 1.113 185 F CA 1.300 59.057 58.000 -0.406 0.000 1.214 185 F CB -0.719 38.031 39.000 -0.417 0.000 0.978 185 F HN -0.065 nan 8.300 nan 0.000 0.474 186 L N -0.626 120.357 121.223 -0.399 0.000 2.079 186 L HA -0.278 4.062 4.340 0.000 0.000 0.210 186 L C 2.524 179.177 176.870 -0.361 0.000 1.081 186 L CA 1.906 56.495 54.840 -0.418 0.000 0.752 186 L CB -0.964 40.940 42.059 -0.260 0.000 0.896 186 L HN 0.295 nan 8.230 nan 0.000 0.433 187 H N -0.454 118.376 119.070 -0.400 0.000 2.428 187 H HA -0.078 4.478 4.556 0.000 0.000 0.296 187 H C 2.263 177.153 175.328 -0.731 0.000 1.062 187 H CA 1.336 57.139 56.048 -0.408 0.000 1.350 187 H CB 0.143 29.727 29.762 -0.298 0.000 1.403 187 H HN 0.153 nan 8.280 nan 0.000 0.533 188 M N -0.319 118.757 119.600 -0.873 0.000 2.349 188 M HA -0.031 4.450 4.480 0.000 0.000 0.266 188 M C 1.886 177.603 176.300 -0.971 0.000 1.076 188 M CA 0.742 55.176 55.300 -1.443 0.000 1.126 188 M CB 0.161 32.188 32.600 -0.956 0.000 1.392 188 M HN 0.300 nan 8.290 nan 0.000 0.440 189 L N -0.022 120.765 121.223 -0.727 0.000 2.191 189 L HA -0.194 4.146 4.340 0.000 0.000 0.212 189 L C 2.229 178.880 176.870 -0.363 0.000 1.103 189 L CA 0.734 55.246 54.840 -0.546 0.000 0.769 189 L CB -0.570 41.105 42.059 -0.640 0.000 0.908 189 L HN 0.258 nan 8.230 nan 0.000 0.438 190 E N -0.631 119.321 120.200 -0.414 0.000 2.204 190 E HA -0.200 4.150 4.350 0.000 0.000 0.194 190 E C 1.845 178.425 176.600 -0.033 0.000 0.989 190 E CA 0.822 57.089 56.400 -0.223 0.000 0.824 190 E CB -0.233 29.320 29.700 -0.244 0.000 0.756 190 E HN 0.525 nan 8.360 nan 0.000 0.477 191 W N 0.816 122.003 121.300 -0.189 0.000 2.611 191 W HA 0.037 4.697 4.660 0.001 0.000 0.251 191 W C 0.579 177.042 176.519 -0.093 0.000 1.265 191 W CA 0.077 57.343 57.345 -0.132 0.000 1.295 191 W CB -0.757 28.632 29.460 -0.119 0.000 1.129 191 W HN -0.042 nan 8.180 nan 0.000 0.630 192 L N 3.240 124.517 121.223 0.090 0.000 2.305 192 L HA 0.119 4.459 4.340 0.000 0.000 0.281 192 L C -0.363 176.522 176.870 0.024 0.000 1.085 192 L CA -1.535 53.331 54.840 0.043 0.000 0.813 192 L CB 1.051 43.106 42.059 -0.007 0.000 1.157 192 L HN -0.335 nan 8.230 nan 0.000 0.436 193 P HA -0.077 nan 4.420 nan 0.000 0.220 193 P C -0.019 177.289 177.300 0.014 0.000 1.148 193 P CA 0.735 63.847 63.100 0.021 0.000 0.803 193 P CB 0.302 32.016 31.700 0.024 0.000 0.782 194 S N -1.736 113.972 115.700 0.013 0.000 2.543 194 S HA 0.447 4.918 4.470 0.000 0.000 0.271 194 S C -0.725 173.877 174.600 0.004 0.000 1.148 194 S CA -1.100 57.106 58.200 0.011 0.000 0.914 194 S CB 2.067 65.280 63.200 0.022 0.000 1.096 194 S HN -0.078 nan 8.310 nan 0.000 0.471 195 R N 1.798 122.297 120.500 -0.002 0.000 2.316 195 R HA 0.422 4.763 4.340 0.000 0.000 0.314 195 R C -2.414 173.893 176.300 0.012 0.000 1.069 195 R CA -1.311 54.783 56.100 -0.010 0.000 0.959 195 R CB -0.067 30.229 30.300 -0.007 0.000 0.987 195 R HN 0.452 nan 8.270 nan 0.000 0.446 196 P HA 0.063 nan 4.420 nan 0.000 0.270 196 P C -2.076 175.244 177.300 0.034 0.000 1.223 196 P CA -1.144 61.968 63.100 0.020 0.000 0.785 196 P CB 0.387 32.089 31.700 0.003 0.000 0.923 197 P HA -0.061 nan 4.420 nan 0.000 0.222 197 P C -0.116 177.229 177.300 0.075 0.000 1.147 197 P CA 1.379 64.511 63.100 0.054 0.000 0.790 197 P CB 0.352 32.078 31.700 0.042 0.000 0.780 198 L N 0.008 121.267 121.223 0.060 0.000 2.372 198 L HA 0.358 4.698 4.340 0.000 0.000 0.273 198 L C -0.668 176.330 176.870 0.214 0.000 0.989 198 L CA -0.837 54.076 54.840 0.122 0.000 0.841 198 L CB 2.660 44.759 42.059 0.067 0.000 1.225 198 L HN -0.384 nan 8.230 nan 0.000 0.414 199 V N 2.679 122.738 119.914 0.243 0.000 2.384 199 V HA 0.477 4.597 4.120 0.000 0.000 0.287 199 V C -0.577 175.700 176.094 0.306 0.000 1.020 199 V CA -0.558 61.849 62.300 0.179 0.000 0.850 199 V CB 1.351 33.145 31.823 -0.048 0.000 0.987 199 V HN 0.840 nan 8.190 nan 0.000 0.436 200 H N 1.543 120.688 119.070 0.124 0.000 2.928 200 H HA 0.736 5.292 4.556 0.000 0.000 0.371 200 H C 0.283 175.652 175.328 0.069 0.000 1.186 200 H CA -0.458 55.681 56.048 0.151 0.000 1.134 200 H CB 1.779 31.613 29.762 0.121 0.000 1.824 200 H HN 0.617 nan 8.280 nan 0.000 0.554 201 C N -0.581 118.805 119.300 0.143 0.000 4.921 201 C HA 0.736 5.197 4.460 0.000 0.000 0.477 201 C C 0.929 175.969 174.990 0.083 0.000 1.492 201 C CA 0.201 59.125 59.018 -0.157 0.000 2.292 201 C CB -0.495 27.004 27.740 -0.401 0.000 3.214 201 C HN 1.017 nan 8.230 nan 0.000 0.562 202 A N 3.391 126.447 122.820 0.394 0.000 2.401 202 A HA 0.631 4.951 4.320 0.000 0.000 0.259 202 A C 0.266 178.096 177.584 0.409 0.000 1.103 202 A CA 0.258 52.598 52.037 0.504 0.000 0.789 202 A CB 0.279 19.574 19.000 0.492 0.000 1.035 202 A HN 0.811 nan 8.150 nan 0.000 0.491 203 N N 1.073 120.031 118.700 0.431 0.000 2.823 203 N HA 0.300 5.041 4.740 0.000 0.000 0.324 203 N C 0.850 176.577 175.510 0.361 0.000 1.336 203 N CA -0.077 53.209 53.050 0.393 0.000 0.861 203 N CB -0.334 38.404 38.487 0.420 0.000 1.157 203 N HN 0.275 nan 8.380 nan 0.000 0.585 204 S N -0.566 115.329 115.700 0.324 0.000 2.359 204 S HA -0.114 4.356 4.470 0.000 0.000 0.224 204 S C 1.898 176.625 174.600 0.212 0.000 1.035 204 S CA 1.548 59.931 58.200 0.306 0.000 1.018 204 S CB -0.908 62.357 63.200 0.108 0.000 0.876 204 S HN 0.721 nan 8.310 nan 0.000 0.448 205 A N 1.677 124.590 122.820 0.154 0.000 1.877 205 A HA 0.081 4.402 4.320 0.000 0.000 0.216 205 A C 2.388 179.963 177.584 -0.015 0.000 1.186 205 A CA 1.838 53.900 52.037 0.042 0.000 0.620 205 A CB -1.239 17.783 19.000 0.037 0.000 0.822 205 A HN 0.522 nan 8.150 nan 0.000 0.443 206 A N 0.320 123.210 122.820 0.117 0.000 1.877 206 A HA -0.117 4.203 4.320 0.000 0.000 0.216 206 A C 2.505 180.200 177.584 0.184 0.000 1.186 206 A CA 2.541 54.691 52.037 0.189 0.000 0.620 206 A CB -1.061 18.253 19.000 0.523 0.000 0.822 206 A HN 0.944 nan 8.150 nan 0.000 0.443 207 S N -0.122 115.707 115.700 0.214 0.000 2.402 207 S HA -0.009 4.461 4.470 0.000 0.000 0.229 207 S C 1.761 176.390 174.600 0.048 0.000 1.021 207 S CA 1.336 59.634 58.200 0.164 0.000 0.974 207 S CB -0.536 62.771 63.200 0.179 0.000 0.800 207 S HN 0.426 nan 8.310 nan 0.000 0.484 208 L N 0.278 121.504 121.223 0.006 0.000 2.240 208 L HA 0.145 4.485 4.340 0.000 0.000 0.211 208 L C 2.988 179.734 176.870 -0.207 0.000 1.106 208 L CA 0.763 55.557 54.840 -0.076 0.000 0.793 208 L CB -0.198 41.812 42.059 -0.082 0.000 0.927 208 L HN 0.247 nan 8.230 nan 0.000 0.446 209 R N -0.561 119.716 120.500 -0.371 0.000 2.075 209 R HA 0.059 4.400 4.340 0.000 0.000 0.220 209 R C -0.040 175.712 176.300 -0.912 0.000 1.118 209 R CA 0.799 56.418 56.100 -0.802 0.000 0.986 209 R CB 0.226 29.731 30.300 -1.324 0.000 0.884 209 R HN 0.113 nan 8.270 nan 0.000 0.439 210 F N 0.886 120.808 119.950 -0.047 0.000 2.523 210 F HA 0.342 4.870 4.527 0.000 0.000 0.322 210 F C -1.838 173.980 175.800 0.030 0.000 1.361 210 F CA -2.559 55.429 58.000 -0.020 0.000 1.151 210 F CB 1.313 40.297 39.000 -0.027 0.000 1.391 210 F HN -0.137 nan 8.300 nan 0.000 0.566 211 P HA -0.186 nan 4.420 nan 0.000 0.223 211 P C 0.597 177.955 177.300 0.097 0.000 1.144 211 P CA 1.505 64.661 63.100 0.093 0.000 0.783 211 P CB 0.032 31.755 31.700 0.038 0.000 0.771 212 D N -1.694 118.765 120.400 0.098 0.000 2.349 212 D HA -0.038 4.603 4.640 0.000 0.000 0.215 212 D C 1.239 177.561 176.300 0.038 0.000 1.016 212 D CA 0.150 54.181 54.000 0.052 0.000 0.870 212 D CB -0.178 40.644 40.800 0.036 0.000 0.917 212 D HN -0.061 nan 8.370 nan 0.000 0.524 213 R N 0.560 121.125 120.500 0.109 0.000 2.791 213 R HA 0.187 4.528 4.340 0.000 0.000 0.357 213 R C 0.596 177.096 176.300 0.333 0.000 1.173 213 R CA 0.305 56.481 56.100 0.125 0.000 1.060 213 R CB 0.268 30.568 30.300 -0.000 0.000 1.406 213 R HN 0.365 nan 8.270 nan 0.000 0.580 214 T N -3.434 111.281 114.554 0.268 0.000 3.022 214 T HA 0.210 4.560 4.350 0.000 0.000 0.250 214 T C 0.718 175.754 174.700 0.560 0.000 1.060 214 T CA -0.158 62.200 62.100 0.429 0.000 1.013 214 T CB -0.087 68.956 68.868 0.292 0.000 0.982 214 T HN 0.119 nan 8.240 nan 0.000 0.508 215 F N 2.412 122.501 119.950 0.232 0.000 2.183 215 F HA -0.318 4.209 4.527 0.001 0.000 0.318 215 F C 1.149 177.041 175.800 0.154 0.000 0.276 215 F CA 1.504 59.619 58.000 0.192 0.000 0.912 215 F CB -1.326 37.815 39.000 0.236 0.000 4.135 215 F HN 0.380 nan 8.300 nan 0.000 0.137 216 N N 0.666 119.612 118.700 0.409 0.000 2.236 216 N HA 0.339 5.080 4.740 0.000 0.000 0.196 216 N C -0.271 175.395 175.510 0.261 0.000 1.114 216 N CA 0.677 53.883 53.050 0.261 0.000 0.859 216 N CB 0.978 39.613 38.487 0.247 0.000 0.982 216 N HN 0.598 nan 8.380 nan 0.000 0.493 217 M N 0.762 120.531 119.600 0.281 0.000 2.333 217 M HA 0.335 4.815 4.480 0.000 0.000 0.286 217 M C -1.988 174.444 176.300 0.220 0.000 1.113 217 M CA -0.918 54.505 55.300 0.205 0.000 0.959 217 M CB 2.026 34.673 32.600 0.078 0.000 1.776 217 M HN -0.074 nan 8.290 nan 0.000 0.492 218 V N 1.940 121.953 119.914 0.166 0.000 2.769 218 V HA 0.734 4.854 4.120 0.000 0.000 0.312 218 V C -0.881 175.310 176.094 0.161 0.000 1.058 218 V CA -0.725 61.695 62.300 0.200 0.000 0.952 218 V CB 2.027 33.956 31.823 0.176 0.000 1.019 218 V HN 0.975 nan 8.190 nan 0.000 0.445 219 R N 3.238 123.868 120.500 0.217 0.000 2.278 219 R HA 0.430 4.771 4.340 0.000 0.000 0.322 219 R C -1.387 175.081 176.300 0.281 0.000 1.058 219 R CA -0.355 55.859 56.100 0.190 0.000 0.991 219 R CB 1.109 31.511 30.300 0.171 0.000 1.140 219 R HN 0.727 nan 8.270 nan 0.000 0.518 220 F N 2.448 122.421 119.950 0.038 0.000 2.413 220 F HA 0.347 4.875 4.527 0.000 0.000 0.359 220 F C 0.726 176.501 175.800 -0.042 0.000 1.122 220 F CA -0.254 57.752 58.000 0.009 0.000 1.160 220 F CB 0.863 39.842 39.000 -0.036 0.000 1.146 220 F HN 0.556 nan 8.300 nan 0.000 0.514 221 G N 4.900 113.572 108.800 -0.215 0.000 2.694 221 G HA2 0.002 3.962 3.960 0.000 0.000 0.212 221 G HA3 0.002 3.962 3.960 0.000 0.000 0.212 221 G C 1.102 175.759 174.900 -0.405 0.000 2.030 221 G CA 0.182 45.126 45.100 -0.261 0.000 0.731 221 G HN 0.534 nan 8.290 nan 0.000 0.795 222 I N 2.028 122.558 120.570 -0.065 0.000 2.143 222 I HA -0.235 3.935 4.170 0.000 0.000 0.245 222 I C 2.942 178.916 176.117 -0.238 0.000 1.068 222 I CA 2.130 63.389 61.300 -0.068 0.000 1.326 222 I CB -0.306 37.509 38.000 -0.310 0.000 1.028 222 I HN 0.267 nan 8.210 nan 0.000 0.412 223 A N -0.341 122.214 122.820 -0.442 0.000 2.019 223 A HA -0.260 4.060 4.320 0.000 0.000 0.219 223 A C 2.432 179.669 177.584 -0.579 0.000 1.164 223 A CA 1.883 53.655 52.037 -0.442 0.000 0.644 223 A CB -0.865 17.954 19.000 -0.302 0.000 0.805 223 A HN 0.649 nan 8.150 nan 0.000 0.449 224 M N -1.494 117.455 119.600 -1.084 0.000 2.213 224 M HA -0.146 4.334 4.480 0.000 0.000 0.263 224 M C 0.971 176.881 176.300 -0.650 0.000 1.062 224 M CA 1.639 56.442 55.300 -0.828 0.000 1.105 224 M CB -0.184 31.797 32.600 -1.031 0.000 1.385 224 M HN 0.463 nan 8.290 nan 0.000 0.417 225 Y N 0.074 120.156 120.300 -0.364 0.000 2.471 225 Y HA 0.359 4.909 4.550 0.000 0.000 0.286 225 Y C 1.526 177.364 175.900 -0.104 0.000 1.188 225 Y CA 0.365 58.290 58.100 -0.292 0.000 1.286 225 Y CB -0.354 37.807 38.460 -0.498 0.000 1.072 225 Y HN 0.489 nan 8.280 nan 0.000 0.517 226 G N 0.555 109.350 108.800 -0.009 0.000 2.136 226 G HA2 -0.273 3.688 3.960 0.000 0.000 0.242 226 G HA3 -0.273 3.688 3.960 0.000 0.000 0.242 226 G C -0.310 174.605 174.900 0.024 0.000 0.989 226 G CA -0.061 45.062 45.100 0.037 0.000 0.682 226 G HN 0.288 nan 8.290 nan 0.000 0.522 227 L N 0.304 121.516 121.223 -0.018 0.000 2.329 227 L HA 0.787 5.127 4.340 0.000 0.000 0.279 227 L C 0.847 177.661 176.870 -0.093 0.000 1.014 227 L CA -0.723 54.087 54.840 -0.049 0.000 0.814 227 L CB 1.953 43.964 42.059 -0.079 0.000 1.257 227 L HN 0.265 nan 8.230 nan 0.000 0.424 228 A N 3.829 126.609 122.820 -0.067 0.000 2.450 228 A HA 0.392 4.713 4.320 0.000 0.000 0.255 228 A C -1.665 175.888 177.584 -0.052 0.000 1.096 228 A CA -1.100 50.901 52.037 -0.059 0.000 0.778 228 A CB 0.082 19.060 19.000 -0.037 0.000 1.031 228 A HN 0.627 nan 8.150 nan 0.000 0.494 229 P HA -0.100 nan 4.420 nan 0.000 0.218 229 P C 0.314 177.691 177.300 0.129 0.000 1.146 229 P CA 2.015 65.162 63.100 0.080 0.000 0.813 229 P CB 0.089 31.847 31.700 0.097 0.000 0.778 230 S N -5.807 109.927 115.700 0.056 0.000 2.578 230 S HA 0.392 4.863 4.470 0.000 0.000 0.272 230 S C -2.756 171.854 174.600 0.017 0.000 1.145 230 S CA -1.200 57.031 58.200 0.053 0.000 0.835 230 S CB 1.330 64.560 63.200 0.051 0.000 1.104 230 S HN -0.296 nan 8.310 nan 0.000 0.458 231 P HA 0.128 nan 4.420 nan 0.000 0.219 231 P C 1.735 179.033 177.300 -0.003 0.000 1.150 231 P CA 1.640 64.744 63.100 0.007 0.000 0.814 231 P CB -0.408 31.300 31.700 0.012 0.000 0.787 232 G N 1.276 110.075 108.800 -0.002 0.000 2.476 232 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 232 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 232 G C 1.354 176.239 174.900 -0.025 0.000 1.164 232 G CA 1.008 46.102 45.100 -0.010 0.000 0.768 232 G HN 0.441 nan 8.290 nan 0.000 0.560 233 I N -2.617 117.933 120.570 -0.034 0.000 3.793 233 I HA 0.275 4.446 4.170 0.000 0.000 0.315 233 I C 2.042 178.120 176.117 -0.065 0.000 1.275 233 I CA 0.086 61.349 61.300 -0.062 0.000 1.214 233 I CB 0.015 37.963 38.000 -0.086 0.000 1.018 233 I HN -0.064 nan 8.210 nan 0.000 0.439 234 K N 2.233 122.607 120.400 -0.044 0.000 2.059 234 K HA -0.132 4.189 4.320 0.000 0.000 0.212 234 K C -0.362 176.206 176.600 -0.052 0.000 1.050 234 K CA 2.136 58.396 56.287 -0.045 0.000 0.927 234 K CB -1.378 31.107 32.500 -0.024 0.000 0.714 234 K HN 0.427 nan 8.250 nan 0.000 0.447 235 P HA -0.060 nan 4.420 nan 0.000 0.237 235 P C 0.915 178.180 177.300 -0.058 0.000 1.178 235 P CA 0.997 64.072 63.100 -0.042 0.000 0.766 235 P CB -0.008 31.675 31.700 -0.029 0.000 0.876 236 L N -1.735 119.440 121.223 -0.080 0.000 2.640 236 L HA 0.142 4.482 4.340 0.000 0.000 0.230 236 L C 0.550 177.339 176.870 -0.134 0.000 1.123 236 L CA -0.472 54.304 54.840 -0.106 0.000 0.900 236 L CB -0.319 41.661 42.059 -0.130 0.000 1.146 236 L HN -0.110 nan 8.230 nan 0.000 0.484 237 L N 1.504 122.645 121.223 -0.136 0.000 2.453 237 L HA 0.096 4.437 4.340 0.000 0.000 0.272 237 L C -0.856 175.913 176.870 -0.167 0.000 1.182 237 L CA -0.988 53.740 54.840 -0.185 0.000 0.858 237 L CB -0.266 41.669 42.059 -0.206 0.000 1.120 237 L HN -0.119 nan 8.230 nan 0.000 0.474 238 P HA -0.076 nan 4.420 nan 0.000 0.217 238 P C -0.931 176.395 177.300 0.043 0.000 1.150 238 P CA 1.215 64.277 63.100 -0.062 0.000 0.832 238 P CB 0.110 31.812 31.700 0.003 0.000 0.787 239 Y N -3.306 116.987 120.300 -0.013 0.000 2.581 239 Y HA 0.723 5.273 4.550 0.000 0.000 0.345 239 Y C -2.986 172.918 175.900 0.008 0.000 1.036 239 Y CA -3.709 54.390 58.100 -0.003 0.000 1.042 239 Y CB -0.477 37.981 38.460 -0.003 0.000 1.289 239 Y HN -0.326 nan 8.280 nan 0.000 0.471 240 P HA 0.251 nan 4.420 nan 0.000 0.276 240 P C -0.914 176.490 177.300 0.173 0.000 1.235 240 P CA -0.005 63.159 63.100 0.107 0.000 0.772 240 P CB 1.292 33.049 31.700 0.095 0.000 0.871 241 L N 3.464 124.735 121.223 0.079 0.000 2.326 241 L HA 0.335 4.675 4.340 0.000 0.000 0.278 241 L C 0.971 177.901 176.870 0.098 0.000 1.092 241 L CA -0.484 54.420 54.840 0.107 0.000 0.810 241 L CB 0.458 42.533 42.059 0.027 0.000 1.153 241 L HN 0.215 nan 8.230 nan 0.000 0.439 242 K N 2.671 123.140 120.400 0.114 0.000 2.263 242 K HA 0.264 4.584 4.320 0.000 0.000 0.272 242 K C -0.517 176.142 176.600 0.098 0.000 1.033 242 K CA -0.559 55.786 56.287 0.096 0.000 0.884 242 K CB 1.544 34.103 32.500 0.098 0.000 1.107 242 K HN 0.448 nan 8.250 nan 0.000 0.460 243 E N 1.714 121.971 120.200 0.095 0.000 2.384 243 E HA 0.032 4.382 4.350 0.000 0.000 0.266 243 E C 0.174 176.866 176.600 0.154 0.000 1.012 243 E CA -0.014 56.461 56.400 0.125 0.000 0.901 243 E CB 0.833 30.599 29.700 0.110 0.000 0.967 243 E HN 0.738 nan 8.360 nan 0.000 0.435 244 A N 5.112 128.074 122.820 0.235 0.000 2.229 244 A HA 0.142 4.462 4.320 0.000 0.000 0.211 244 A C 0.076 177.843 177.584 0.306 0.000 1.193 244 A CA -0.250 51.948 52.037 0.268 0.000 0.879 244 A CB 0.268 19.464 19.000 0.326 0.000 0.911 244 A HN 0.607 nan 8.150 nan 0.000 0.492 245 F N 1.639 121.680 119.950 0.152 0.000 2.404 245 F HA 0.527 5.054 4.527 0.000 0.000 0.339 245 F C 0.426 176.197 175.800 -0.048 0.000 1.105 245 F CA 0.176 58.181 58.000 0.008 0.000 1.087 245 F CB 1.421 40.367 39.000 -0.090 0.000 1.143 245 F HN 0.110 nan 8.300 nan 0.000 0.491 246 S N 6.128 121.540 115.700 -0.480 0.000 2.556 246 S HA 0.763 5.233 4.470 0.000 0.000 0.271 246 S C -1.964 172.137 174.600 -0.831 0.000 1.135 246 S CA -0.874 57.061 58.200 -0.443 0.000 0.858 246 S CB 1.927 64.983 63.200 -0.240 0.000 1.114 246 S HN 0.750 nan 8.310 nan 0.000 0.468 247 L N 2.537 123.223 121.223 -0.896 0.000 2.410 247 L HA 0.708 5.048 4.340 0.000 0.000 0.270 247 L C -1.179 174.946 176.870 -1.241 0.000 0.983 247 L CA -0.045 54.241 54.840 -0.922 0.000 0.822 247 L CB 1.654 43.399 42.059 -0.524 0.000 1.285 247 L HN 0.999 nan 8.230 nan 0.000 0.409 248 H N 2.217 120.734 119.070 -0.921 0.000 2.946 248 H HA 0.776 5.332 4.556 0.000 0.000 0.365 248 H C -1.134 173.558 175.328 -1.060 0.000 1.197 248 H CA -0.808 54.625 56.048 -1.026 0.000 1.131 248 H CB 2.214 31.204 29.762 -1.286 0.000 1.849 248 H HN 0.599 nan 8.280 nan 0.000 0.555 249 S N -0.326 115.048 115.700 -0.543 0.000 2.790 249 S HA 0.624 5.095 4.470 0.000 0.000 0.292 249 S C -1.385 173.207 174.600 -0.015 0.000 1.197 249 S CA -0.771 57.288 58.200 -0.234 0.000 0.851 249 S CB 1.959 65.032 63.200 -0.213 0.000 1.217 249 S HN 0.632 nan 8.310 nan 0.000 0.526 250 R N 0.493 121.038 120.500 0.076 0.000 2.740 250 R HA 0.508 4.848 4.340 0.000 0.000 0.273 250 R C -1.258 175.075 176.300 0.056 0.000 0.998 250 R CA -0.831 55.327 56.100 0.096 0.000 0.900 250 R CB 1.222 31.621 30.300 0.165 0.000 1.223 250 R HN 0.511 nan 8.270 nan 0.000 0.466 251 L N 2.432 123.682 121.223 0.045 0.000 2.410 251 L HA 0.075 4.415 4.340 0.000 0.000 0.273 251 L C 1.351 178.261 176.870 0.067 0.000 1.144 251 L CA -0.151 54.716 54.840 0.044 0.000 0.863 251 L CB 0.866 42.945 42.059 0.034 0.000 1.140 251 L HN 0.610 nan 8.230 nan 0.000 0.463 252 V N -1.222 118.742 119.914 0.084 0.000 3.643 252 V HA 0.287 4.407 4.120 0.000 0.000 0.280 252 V C 0.001 176.192 176.094 0.162 0.000 1.351 252 V CA 0.077 62.434 62.300 0.095 0.000 1.073 252 V CB -0.312 31.554 31.823 0.072 0.000 0.863 252 V HN 0.836 nan 8.190 nan 0.000 0.436 253 H N -0.639 118.450 119.070 0.032 0.000 3.112 253 H HA 0.755 5.312 4.556 0.001 0.000 0.347 253 H C -1.812 173.553 175.328 0.062 0.000 1.188 253 H CA -0.632 55.442 56.048 0.042 0.000 1.240 253 H CB 2.179 31.962 29.762 0.034 0.000 1.920 253 H HN -0.021 nan 8.280 nan 0.000 0.535 254 V N 4.905 124.723 119.914 -0.160 0.000 2.686 254 V HA 0.539 4.660 4.120 0.000 0.000 0.306 254 V C -0.849 175.142 176.094 -0.172 0.000 1.065 254 V CA -0.816 61.424 62.300 -0.100 0.000 0.894 254 V CB 1.879 33.737 31.823 0.059 0.000 1.004 254 V HN 0.879 nan 8.190 nan 0.000 0.424 255 K N 2.403 122.778 120.400 -0.041 0.000 2.579 255 K HA 0.728 5.048 4.320 0.000 0.000 0.284 255 K C -1.427 175.050 176.600 -0.205 0.000 0.990 255 K CA -1.182 55.061 56.287 -0.073 0.000 0.880 255 K CB 2.714 35.074 32.500 -0.233 0.000 1.488 255 K HN 0.447 nan 8.250 nan 0.000 0.425 256 K N 2.150 122.224 120.400 -0.543 0.000 2.206 256 K HA 0.416 4.737 4.320 0.000 0.000 0.264 256 K C -1.042 175.299 176.600 -0.432 0.000 0.967 256 K CA -0.746 55.010 56.287 -0.885 0.000 0.844 256 K CB 0.991 32.669 32.500 -1.370 0.000 1.099 256 K HN 0.598 nan 8.250 nan 0.000 0.441 257 L N 3.070 124.097 121.223 -0.327 0.000 2.352 257 L HA 0.385 4.725 4.340 0.000 0.000 0.269 257 L C -0.035 176.736 176.870 -0.166 0.000 1.034 257 L CA -1.179 53.555 54.840 -0.177 0.000 0.806 257 L CB 1.766 43.775 42.059 -0.083 0.000 1.244 257 L HN 0.619 nan 8.230 nan 0.000 0.447 258 Q N 1.304 121.036 119.800 -0.113 0.000 2.235 258 Q HA 0.396 4.737 4.340 0.000 0.000 0.256 258 Q C -2.312 173.645 176.000 -0.071 0.000 0.951 258 Q CA -2.176 53.571 55.803 -0.093 0.000 0.890 258 Q CB 1.448 30.141 28.738 -0.074 0.000 1.279 258 Q HN 0.223 nan 8.270 nan 0.000 0.444 259 P HA -0.015 nan 4.420 nan 0.000 0.261 259 P C 0.582 177.847 177.300 -0.058 0.000 1.173 259 P CA 1.324 64.388 63.100 -0.061 0.000 0.760 259 P CB 0.325 31.995 31.700 -0.051 0.000 0.783 260 G N 1.849 110.608 108.800 -0.068 0.000 2.232 260 G HA2 -0.197 3.763 3.960 0.000 0.000 0.226 260 G HA3 -0.197 3.763 3.960 0.000 0.000 0.226 260 G C 0.014 174.884 174.900 -0.050 0.000 0.996 260 G CA -0.420 44.645 45.100 -0.059 0.000 0.626 260 G HN 0.549 nan 8.290 nan 0.000 0.509 261 E N 1.510 121.682 120.200 -0.046 0.000 2.338 261 E HA 0.388 4.739 4.350 0.000 0.000 0.272 261 E C 0.169 176.764 176.600 -0.009 0.000 1.029 261 E CA 0.097 56.482 56.400 -0.025 0.000 0.872 261 E CB 0.734 30.419 29.700 -0.024 0.000 1.015 261 E HN 0.411 nan 8.360 nan 0.000 0.417 262 K N 1.127 121.533 120.400 0.012 0.000 2.123 262 K HA 0.560 4.881 4.320 0.000 0.000 0.248 262 K C -0.628 176.027 176.600 0.090 0.000 0.969 262 K CA -0.817 55.498 56.287 0.048 0.000 0.882 262 K CB 1.635 34.154 32.500 0.032 0.000 1.080 262 K HN 0.160 nan 8.250 nan 0.000 0.441 263 V N 0.881 120.891 119.914 0.161 0.000 2.709 263 V HA 0.300 4.420 4.120 0.000 0.000 0.308 263 V C 0.067 176.202 176.094 0.067 0.000 1.062 263 V CA -0.615 61.755 62.300 0.117 0.000 0.901 263 V CB 1.391 33.304 31.823 0.150 0.000 1.003 263 V HN 1.048 nan 8.190 nan 0.000 0.425 264 S N 2.323 118.010 115.700 -0.022 0.000 3.654 264 S HA -0.202 4.268 4.470 0.000 0.000 0.640 264 S C -0.375 174.182 174.600 -0.071 0.000 2.223 264 S CA 0.062 58.206 58.200 -0.092 0.000 2.391 264 S CB -0.640 62.554 63.200 -0.010 0.000 0.328 264 S HN 0.693 nan 8.310 nan 0.000 1.790 265 Y N 1.173 121.511 120.300 0.063 0.000 2.788 265 Y HA 0.247 4.797 4.550 0.000 0.000 0.341 265 Y C 1.942 177.877 175.900 0.057 0.000 1.258 265 Y CA 1.302 59.438 58.100 0.059 0.000 1.503 265 Y CB -0.025 38.474 38.460 0.065 0.000 1.325 265 Y HN 1.280 nan 8.280 nan 0.000 0.614 266 G N 1.679 110.624 108.800 0.241 0.000 2.196 266 G HA2 -0.270 3.690 3.960 0.000 0.000 0.268 266 G HA3 -0.270 3.690 3.960 0.000 0.000 0.268 266 G C 0.689 175.653 174.900 0.108 0.000 0.975 266 G CA 0.340 45.528 45.100 0.146 0.000 0.648 266 G HN 1.914 nan 8.290 nan 0.000 0.538 267 A N -1.274 121.607 122.820 0.102 0.000 2.640 267 A HA -0.005 4.315 4.320 0.000 0.000 0.300 267 A C 2.113 179.751 177.584 0.089 0.000 1.499 267 A CA 2.556 54.642 52.037 0.081 0.000 0.759 267 A CB -2.292 16.741 19.000 0.055 0.000 1.048 267 A HN 2.451 nan 8.150 nan 0.000 0.450 268 T N -3.561 111.064 114.554 0.119 0.000 3.088 268 T HA 0.243 4.593 4.350 0.000 0.000 0.259 268 T C 0.387 175.186 174.700 0.165 0.000 1.122 268 T CA 1.263 63.438 62.100 0.125 0.000 1.095 268 T CB -0.100 68.847 68.868 0.131 0.000 0.930 268 T HN 1.219 nan 8.240 nan 0.000 0.508 269 Y N 1.629 121.954 120.300 0.042 0.000 2.364 269 Y HA 0.553 5.103 4.550 0.000 0.000 0.340 269 Y C -0.903 175.011 175.900 0.023 0.000 0.975 269 Y CA -0.839 57.284 58.100 0.039 0.000 1.089 269 Y CB 1.970 40.453 38.460 0.040 0.000 1.192 269 Y HN -0.013 nan 8.280 nan 0.000 0.454 270 T N 5.352 119.495 114.554 -0.685 0.000 2.824 270 T HA 0.652 5.003 4.350 0.000 0.000 0.282 270 T C -0.674 173.627 174.700 -0.665 0.000 0.993 270 T CA -0.614 61.203 62.100 -0.470 0.000 0.967 270 T CB 1.270 69.986 68.868 -0.253 0.000 0.960 270 T HN 0.838 nan 8.240 nan 0.000 0.441 271 A N 2.802 125.435 122.820 -0.312 0.000 2.444 271 A HA 0.263 4.583 4.320 0.000 0.000 0.273 271 A C 1.352 178.845 177.584 -0.152 0.000 1.136 271 A CA -0.278 51.657 52.037 -0.171 0.000 0.799 271 A CB 0.230 19.206 19.000 -0.040 0.000 1.081 271 A HN 0.758 nan 8.150 nan 0.000 0.509 272 Q N 0.982 120.703 119.800 -0.132 0.000 2.245 272 Q HA 0.014 4.355 4.340 0.000 0.000 0.201 272 Q C 0.993 176.961 176.000 -0.053 0.000 0.955 272 Q CA 1.642 57.392 55.803 -0.089 0.000 0.870 272 Q CB -0.027 28.671 28.738 -0.067 0.000 0.945 272 Q HN 1.000 nan 8.270 nan 0.000 0.461 273 T N -3.921 110.609 114.554 -0.040 0.000 2.681 273 T HA 0.326 4.677 4.350 0.000 0.000 0.296 273 T C -0.687 173.985 174.700 -0.047 0.000 1.157 273 T CA -0.912 61.168 62.100 -0.033 0.000 1.025 273 T CB 1.495 70.355 68.868 -0.014 0.000 1.441 273 T HN -0.119 nan 8.240 nan 0.000 0.504 274 E N 1.909 122.074 120.200 -0.058 0.000 2.159 274 E HA 0.216 4.567 4.350 0.000 0.000 0.272 274 E C -0.067 176.461 176.600 -0.120 0.000 1.138 274 E CA 0.007 56.340 56.400 -0.112 0.000 0.915 274 E CB 0.197 29.834 29.700 -0.105 0.000 1.028 274 E HN 0.564 nan 8.360 nan 0.000 0.423 275 E N 2.647 122.752 120.200 -0.159 0.000 2.369 275 E HA 0.341 4.691 4.350 0.000 0.000 0.270 275 E C -1.081 175.374 176.600 -0.242 0.000 0.909 275 E CA -1.059 55.282 56.400 -0.099 0.000 0.775 275 E CB 0.887 30.610 29.700 0.037 0.000 1.270 275 E HN 0.215 nan 8.360 nan 0.000 0.445 276 W N 1.614 122.918 121.300 0.006 0.000 2.338 276 W HA 0.362 5.022 4.660 0.000 0.000 0.307 276 W C -0.515 175.990 176.519 -0.023 0.000 1.167 276 W CA -0.545 56.790 57.345 -0.015 0.000 1.208 276 W CB 0.896 30.345 29.460 -0.019 0.000 1.228 276 W HN 0.296 nan 8.180 nan 0.000 0.499 277 I N 3.644 124.294 120.570 0.132 0.000 2.404 277 I HA 0.505 4.676 4.170 0.000 0.000 0.293 277 I C 0.599 176.739 176.117 0.038 0.000 0.992 277 I CA -0.688 60.644 61.300 0.054 0.000 1.149 277 I CB 0.909 38.906 38.000 -0.005 0.000 1.315 277 I HN 0.515 nan 8.210 nan 0.000 0.446 278 G N 3.926 112.741 108.800 0.025 0.000 2.420 278 G HA2 0.665 4.625 3.960 0.000 0.000 0.331 278 G HA3 0.665 4.625 3.960 0.000 0.000 0.331 278 G C -0.886 174.019 174.900 0.008 0.000 1.168 278 G CA -0.266 44.842 45.100 0.014 0.000 0.936 278 G HN 0.485 nan 8.290 nan 0.000 0.479 279 T N 1.400 115.973 114.554 0.032 0.000 2.807 279 T HA 0.568 4.918 4.350 0.000 0.000 0.279 279 T C 0.098 174.820 174.700 0.037 0.000 0.993 279 T CA -0.180 61.946 62.100 0.044 0.000 0.970 279 T CB 1.103 70.028 68.868 0.094 0.000 0.950 279 T HN 0.610 nan 8.240 nan 0.000 0.441 280 I N 0.614 121.189 120.570 0.009 0.000 2.646 280 I HA 0.596 4.767 4.170 0.000 0.000 0.299 280 I C -2.614 173.492 176.117 -0.017 0.000 1.036 280 I CA -3.423 57.870 61.300 -0.013 0.000 1.074 280 I CB 2.496 40.459 38.000 -0.063 0.000 1.258 280 I HN 0.242 nan 8.210 nan 0.000 0.430 281 P HA 0.365 nan 4.420 nan 0.000 0.226 281 P C -0.636 176.636 177.300 -0.047 0.000 1.783 281 P CA 0.341 63.435 63.100 -0.010 0.000 0.980 281 P CB -0.105 31.611 31.700 0.027 0.000 1.967 282 I N -0.301 120.225 120.570 -0.073 0.000 2.722 282 I HA 0.723 4.893 4.170 0.000 0.000 0.292 282 I C -0.707 175.391 176.117 -0.032 0.000 1.267 282 I CA -0.566 60.673 61.300 -0.101 0.000 1.036 282 I CB 2.225 40.081 38.000 -0.241 0.000 1.281 282 I HN 0.203 nan 8.210 nan 0.000 0.423 283 G N 3.820 112.625 108.800 0.007 0.000 2.911 283 G HA2 0.210 4.171 3.960 0.000 0.000 0.299 283 G HA3 0.210 4.171 3.960 0.000 0.000 0.299 283 G C -0.495 174.484 174.900 0.130 0.000 1.283 283 G CA -0.034 45.099 45.100 0.056 0.000 0.805 283 G HN 0.694 nan 8.290 nan 0.000 0.548 284 Y N -1.061 119.319 120.300 0.133 0.000 2.497 284 Y HA 0.345 4.896 4.550 0.000 0.000 0.292 284 Y C 2.330 178.273 175.900 0.071 0.000 1.137 284 Y CA 1.104 59.261 58.100 0.095 0.000 1.285 284 Y CB -0.619 37.870 38.460 0.049 0.000 0.991 284 Y HN 0.350 nan 8.280 nan 0.000 0.556 285 A N 0.260 123.079 122.820 -0.002 0.000 2.206 285 A HA -0.031 4.290 4.320 0.000 0.000 0.211 285 A C 1.373 178.967 177.584 0.016 0.000 1.158 285 A CA 1.090 53.155 52.037 0.047 0.000 0.761 285 A CB -0.409 18.559 19.000 -0.053 0.000 0.801 285 A HN 0.497 nan 8.150 nan 0.000 0.473 286 D N -1.398 119.016 120.400 0.022 0.000 2.369 286 D HA 0.250 4.891 4.640 0.000 0.000 0.211 286 D C 1.299 177.647 176.300 0.080 0.000 1.077 286 D CA 1.016 55.013 54.000 -0.005 0.000 0.842 286 D CB 0.583 41.368 40.800 -0.026 0.000 0.947 286 D HN 0.535 nan 8.370 nan 0.000 0.509 287 G N 0.747 109.633 108.800 0.144 0.000 2.179 287 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 287 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 287 G C 0.013 175.049 174.900 0.227 0.000 0.990 287 G CA -0.348 44.844 45.100 0.154 0.000 0.646 287 G HN 0.362 nan 8.290 nan 0.000 0.517 288 W N 3.750 125.061 121.300 0.019 0.000 1.864 288 W HA 0.539 5.199 4.660 0.000 0.000 0.425 288 W C 0.587 177.147 176.519 0.069 0.000 0.791 288 W CA -0.711 56.642 57.345 0.014 0.000 1.650 288 W CB -0.370 29.089 29.460 -0.001 0.000 1.791 288 W HN 0.084 nan 8.180 nan 0.000 0.266 289 L N 3.855 125.018 121.223 -0.099 0.000 2.529 289 L HA -0.075 4.265 4.340 0.000 0.000 0.287 289 L C 1.851 178.651 176.870 -0.116 0.000 1.241 289 L CA 0.305 55.099 54.840 -0.076 0.000 0.857 289 L CB 0.256 42.235 42.059 -0.133 0.000 1.113 289 L HN 0.371 nan 8.230 nan 0.000 0.504 290 R N 1.292 121.760 120.500 -0.053 0.000 2.117 290 R HA -0.216 4.124 4.340 0.000 0.000 0.243 290 R C 2.144 178.396 176.300 -0.080 0.000 1.143 290 R CA 1.719 57.795 56.100 -0.040 0.000 0.968 290 R CB -0.347 29.893 30.300 -0.100 0.000 0.863 290 R HN 0.515 nan 8.270 nan 0.000 0.444 291 R N 1.182 121.620 120.500 -0.104 0.000 2.303 291 R HA -0.108 4.232 4.340 0.000 0.000 0.225 291 R C 1.259 177.548 176.300 -0.019 0.000 1.114 291 R CA 0.965 57.026 56.100 -0.066 0.000 1.007 291 R CB -0.130 30.119 30.300 -0.086 0.000 0.861 291 R HN 0.242 nan 8.270 nan 0.000 0.471 292 L N 0.645 121.769 121.223 -0.164 0.000 2.627 292 L HA 0.017 4.358 4.340 0.000 0.000 0.232 292 L C 2.192 178.988 176.870 -0.122 0.000 1.150 292 L CA 0.113 54.788 54.840 -0.275 0.000 0.917 292 L CB -0.200 41.416 42.059 -0.738 0.000 1.104 292 L HN 0.357 nan 8.230 nan 0.000 0.445 293 Q N 0.445 120.205 119.800 -0.067 0.000 2.173 293 Q HA -0.264 4.076 4.340 0.000 0.000 0.208 293 Q C 0.977 176.871 176.000 -0.177 0.000 0.989 293 Q CA 1.928 57.645 55.803 -0.144 0.000 0.872 293 Q CB -0.016 28.558 28.738 -0.274 0.000 0.909 293 Q HN 0.613 nan 8.270 nan 0.000 0.420 294 H N -1.498 117.691 119.070 0.199 0.000 2.520 294 H HA 0.221 4.778 4.556 0.001 0.000 0.284 294 H C -0.346 175.107 175.328 0.210 0.000 1.037 294 H CA -0.632 55.547 56.048 0.219 0.000 1.168 294 H CB 0.237 30.162 29.762 0.272 0.000 1.497 294 H HN 0.198 nan 8.280 nan 0.000 0.547 295 F N 1.832 121.684 119.950 -0.164 0.000 2.234 295 F HA 0.173 4.700 4.527 0.000 0.000 0.292 295 F C 0.911 176.717 175.800 0.009 0.000 1.187 295 F CA -0.578 57.240 58.000 -0.304 0.000 1.128 295 F CB 0.698 39.321 39.000 -0.629 0.000 1.507 295 F HN 0.194 nan 8.300 nan 0.000 0.512 296 H N -0.626 118.038 119.070 -0.676 0.000 2.960 296 H HA 0.634 5.191 4.556 0.000 0.000 0.338 296 H C -1.614 173.496 175.328 -0.363 0.000 1.261 296 H CA -0.730 55.080 56.048 -0.396 0.000 1.136 296 H CB 0.930 30.474 29.762 -0.362 0.000 1.875 296 H HN 0.602 nan 8.280 nan 0.000 0.550 297 V N -1.162 118.664 119.914 -0.146 0.000 3.167 297 V HA 0.617 4.738 4.120 0.000 0.000 0.310 297 V C -0.970 175.120 176.094 -0.007 0.000 1.207 297 V CA -1.244 60.976 62.300 -0.133 0.000 1.059 297 V CB 2.034 33.804 31.823 -0.088 0.000 1.079 297 V HN 0.665 nan 8.190 nan 0.000 0.446 298 L N 1.708 122.910 121.223 -0.035 0.000 2.307 298 L HA 0.857 5.198 4.340 0.000 0.000 0.284 298 L C -0.728 176.131 176.870 -0.018 0.000 1.023 298 L CA -0.828 54.010 54.840 -0.003 0.000 0.810 298 L CB 1.666 43.724 42.059 -0.002 0.000 1.231 298 L HN 0.615 nan 8.230 nan 0.000 0.423 299 V N 2.645 122.553 119.914 -0.010 0.000 2.711 299 V HA 0.279 4.400 4.120 0.000 0.000 0.304 299 V C -0.477 175.609 176.094 -0.013 0.000 1.097 299 V CA -0.159 62.133 62.300 -0.014 0.000 0.906 299 V CB 1.794 33.607 31.823 -0.017 0.000 1.015 299 V HN 0.913 nan 8.190 nan 0.000 0.427 300 D N 4.748 125.140 120.400 -0.013 0.000 2.837 300 D HA -0.138 4.503 4.640 0.000 0.000 0.230 300 D C 1.091 177.383 176.300 -0.014 0.000 1.152 300 D CA 2.224 56.215 54.000 -0.017 0.000 0.736 300 D CB -1.114 39.670 40.800 -0.026 0.000 1.084 300 D HN 2.086 nan 8.370 nan 0.000 0.429 301 G N -0.844 107.952 108.800 -0.008 0.000 2.155 301 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 301 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 301 G C 0.031 174.926 174.900 -0.007 0.000 0.983 301 G CA 0.771 45.867 45.100 -0.006 0.000 0.676 301 G HN 0.693 nan 8.290 nan 0.000 0.528 302 Q N -0.463 119.332 119.800 -0.009 0.000 2.423 302 Q HA 0.569 4.910 4.340 0.000 0.000 0.278 302 Q C -0.549 175.446 176.000 -0.008 0.000 1.097 302 Q CA -1.140 54.655 55.803 -0.014 0.000 0.809 302 Q CB 1.831 30.558 28.738 -0.018 0.000 1.391 302 Q HN 0.271 nan 8.270 nan 0.000 0.428 303 K N 0.753 121.135 120.400 -0.030 0.000 2.298 303 K HA 0.534 4.854 4.320 0.000 0.000 0.280 303 K C -0.719 175.869 176.600 -0.019 0.000 1.032 303 K CA -0.176 56.095 56.287 -0.026 0.000 0.958 303 K CB 0.864 33.221 32.500 -0.238 0.000 0.978 303 K HN 0.648 nan 8.250 nan 0.000 0.472 304 A N 4.821 127.658 122.820 0.029 0.000 2.357 304 A HA 0.413 4.734 4.320 0.000 0.000 0.295 304 A C -2.528 175.079 177.584 0.038 0.000 1.121 304 A CA -1.748 50.300 52.037 0.018 0.000 0.742 304 A CB 0.916 19.923 19.000 0.011 0.000 1.181 304 A HN 0.408 nan 8.150 nan 0.000 0.454 305 P HA 0.253 nan 4.420 nan 0.000 0.271 305 P C -0.296 177.008 177.300 0.007 0.000 1.216 305 P CA 0.163 63.287 63.100 0.041 0.000 0.776 305 P CB 0.732 32.459 31.700 0.045 0.000 0.881 306 I N 2.689 123.273 120.570 0.024 0.000 2.529 306 I HA 0.131 4.301 4.170 0.000 0.000 0.284 306 I C 0.790 176.855 176.117 -0.087 0.000 1.082 306 I CA -0.435 60.864 61.300 -0.003 0.000 1.406 306 I CB 1.010 39.049 38.000 0.066 0.000 1.405 306 I HN 0.173 nan 8.210 nan 0.000 0.548 307 V N 2.842 122.633 119.914 -0.205 0.000 2.604 307 V HA 0.995 5.116 4.120 0.000 0.000 0.305 307 V C 0.197 176.105 176.094 -0.310 0.000 1.043 307 V CA -0.159 61.864 62.300 -0.461 0.000 0.888 307 V CB 0.837 32.011 31.823 -1.081 0.000 0.995 307 V HN 1.120 nan 8.190 nan 0.000 0.429 308 G N 3.581 112.273 108.800 -0.181 0.000 2.855 308 G HA2 -0.153 3.807 3.960 0.000 0.000 0.352 308 G HA3 -0.153 3.807 3.960 0.000 0.000 0.352 308 G C -0.257 174.644 174.900 0.002 0.000 1.415 308 G CA -0.250 44.850 45.100 -0.001 0.000 0.871 308 G HN 1.125 nan 8.290 nan 0.000 0.543 309 R N -0.872 119.667 120.500 0.066 0.000 2.694 309 R HA 0.352 4.692 4.340 0.000 0.000 0.268 309 R C 0.715 177.093 176.300 0.131 0.000 1.061 309 R CA -0.198 55.961 56.100 0.098 0.000 1.133 309 R CB 0.439 30.847 30.300 0.180 0.000 1.020 309 R HN 0.458 nan 8.270 nan 0.000 0.475 310 I N 1.664 122.325 120.570 0.153 0.000 2.474 310 I HA 0.068 4.239 4.170 0.000 0.000 0.287 310 I C 0.427 176.736 176.117 0.319 0.000 1.048 310 I CA -0.314 61.111 61.300 0.208 0.000 1.383 310 I CB 0.925 39.056 38.000 0.219 0.000 1.412 310 I HN 0.504 nan 8.210 nan 0.000 0.531 311 C N 4.993 124.436 119.300 0.239 0.000 2.328 311 C HA 0.229 4.690 4.460 0.000 0.000 0.378 311 C C 1.882 176.750 174.990 -0.202 0.000 1.249 311 C CA -0.568 58.578 59.018 0.214 0.000 2.204 311 C CB 1.429 29.277 27.740 0.182 0.000 2.218 311 C HN 0.908 nan 8.230 nan 0.000 0.564 312 M N 1.043 120.310 119.600 -0.554 0.000 2.149 312 M HA -0.136 4.344 4.480 0.000 0.000 0.261 312 M C 0.645 176.654 176.300 -0.485 0.000 1.064 312 M CA 2.030 56.657 55.300 -1.123 0.000 1.102 312 M CB -0.127 32.079 32.600 -0.656 0.000 1.369 312 M HN 0.721 nan 8.290 nan 0.000 0.408 313 D N -0.990 119.281 120.400 -0.216 0.000 2.520 313 D HA 0.151 4.791 4.640 0.000 0.000 0.223 313 D C -0.247 176.021 176.300 -0.052 0.000 1.186 313 D CA 0.106 54.041 54.000 -0.109 0.000 0.821 313 D CB 0.641 41.401 40.800 -0.067 0.000 1.072 313 D HN 0.493 nan 8.370 nan 0.000 0.518 314 Q N 0.296 120.079 119.800 -0.029 0.000 2.534 314 Q HA 0.626 4.966 4.340 0.000 0.000 0.290 314 Q C -0.829 175.191 176.000 0.034 0.000 0.991 314 Q CA -1.006 54.797 55.803 0.001 0.000 0.783 314 Q CB 2.781 31.522 28.738 0.005 0.000 1.470 314 Q HN 0.229 nan 8.270 nan 0.000 0.406 315 C N -1.122 118.198 119.300 0.032 0.000 3.239 315 C HA 0.889 5.349 4.460 0.000 0.000 0.317 315 C C -1.302 173.698 174.990 0.018 0.000 1.310 315 C CA -0.793 58.256 59.018 0.051 0.000 1.371 315 C CB 0.899 28.709 27.740 0.116 0.000 1.714 315 C HN 0.867 nan 8.230 nan 0.000 0.473 316 M N 2.613 122.212 119.600 -0.001 0.000 2.508 316 M HA 0.796 5.277 4.480 0.000 0.000 0.327 316 M C -0.187 176.083 176.300 -0.050 0.000 1.160 316 M CA -0.737 54.546 55.300 -0.029 0.000 0.980 316 M CB 1.624 34.194 32.600 -0.051 0.000 1.693 316 M HN 0.844 nan 8.290 nan 0.000 0.452 317 I N -1.566 118.978 120.570 -0.042 0.000 2.828 317 I HA 0.700 4.870 4.170 0.000 0.000 0.302 317 I C -0.822 175.276 176.117 -0.031 0.000 1.101 317 I CA -1.097 60.178 61.300 -0.041 0.000 1.031 317 I CB 2.223 40.214 38.000 -0.014 0.000 1.231 317 I HN 0.636 nan 8.210 nan 0.000 0.427 318 R N 4.362 124.846 120.500 -0.027 0.000 2.265 318 R HA 0.625 4.965 4.340 0.000 0.000 0.314 318 R C -1.201 175.129 176.300 0.050 0.000 1.053 318 R CA -0.489 55.625 56.100 0.022 0.000 0.931 318 R CB 0.879 31.199 30.300 0.034 0.000 1.024 318 R HN 0.685 nan 8.270 nan 0.000 0.457 319 L N 6.498 127.777 121.223 0.093 0.000 2.379 319 L HA 0.388 4.728 4.340 0.000 0.000 0.269 319 L C -1.349 175.574 176.870 0.087 0.000 1.084 319 L CA -2.134 52.753 54.840 0.078 0.000 0.802 319 L CB 1.289 43.396 42.059 0.080 0.000 1.175 319 L HN 0.557 nan 8.230 nan 0.000 0.448 320 P HA -0.038 nan 4.420 nan 0.000 0.218 320 P C 0.423 177.737 177.300 0.023 0.000 1.148 320 P CA 0.719 63.833 63.100 0.023 0.000 0.822 320 P CB 0.290 31.983 31.700 -0.012 0.000 0.784 321 G N -2.182 106.583 108.800 -0.058 0.000 2.435 321 G HA2 0.328 4.288 3.960 0.000 0.000 0.296 321 G HA3 0.328 4.288 3.960 0.000 0.000 0.296 321 G C -3.210 171.271 174.900 -0.699 0.000 1.240 321 G CA -0.654 44.290 45.100 -0.259 0.000 0.872 321 G HN -0.295 nan 8.290 nan 0.000 0.480 322 P HA 0.424 nan 4.420 nan 0.000 0.280 322 P C -0.643 176.320 177.300 -0.562 0.000 1.300 322 P CA 0.092 62.407 63.100 -1.309 0.000 0.785 322 P CB 0.950 31.730 31.700 -1.533 0.000 0.874 323 L N 6.409 127.422 121.223 -0.351 0.000 2.334 323 L HA 0.537 4.877 4.340 0.000 0.000 0.272 323 L C -1.840 174.951 176.870 -0.131 0.000 1.020 323 L CA -2.524 52.203 54.840 -0.188 0.000 0.812 323 L CB 1.985 43.976 42.059 -0.114 0.000 1.264 323 L HN 0.221 nan 8.230 nan 0.000 0.439 324 P HA 0.085 nan 4.420 nan 0.000 0.275 324 P C -0.365 176.926 177.300 -0.014 0.000 1.228 324 P CA -0.260 62.812 63.100 -0.048 0.000 0.786 324 P CB 1.023 32.700 31.700 -0.038 0.000 0.927 325 V N 1.977 121.899 119.914 0.013 0.000 2.999 325 V HA 0.248 4.368 4.120 0.000 0.000 0.307 325 V C 1.782 177.894 176.094 0.029 0.000 1.084 325 V CA 2.084 64.408 62.300 0.039 0.000 1.155 325 V CB -0.041 31.821 31.823 0.066 0.000 0.975 325 V HN 1.083 nan 8.190 nan 0.000 0.490 326 G N 3.179 112.002 108.800 0.039 0.000 2.195 326 G HA2 -0.235 3.726 3.960 0.000 0.000 0.246 326 G HA3 -0.235 3.726 3.960 0.000 0.000 0.246 326 G C 0.379 175.304 174.900 0.042 0.000 0.984 326 G CA 0.147 45.272 45.100 0.041 0.000 0.633 326 G HN 0.791 nan 8.290 nan 0.000 0.525 327 T N 1.599 116.169 114.554 0.027 0.000 2.888 327 T HA 0.359 4.709 4.350 0.000 0.000 0.301 327 T C 0.595 175.317 174.700 0.036 0.000 1.001 327 T CA 0.583 62.694 62.100 0.019 0.000 1.147 327 T CB 1.177 70.043 68.868 -0.004 0.000 0.931 327 T HN 0.488 nan 8.240 nan 0.000 0.541 328 K N 2.859 123.286 120.400 0.046 0.000 2.350 328 K HA 0.347 4.667 4.320 0.000 0.000 0.279 328 K C -0.919 175.690 176.600 0.014 0.000 1.027 328 K CA -0.388 55.935 56.287 0.061 0.000 0.969 328 K CB 0.401 32.950 32.500 0.081 0.000 0.954 328 K HN 0.304 nan 8.250 nan 0.000 0.474 329 V N 3.243 123.147 119.914 -0.017 0.000 2.604 329 V HA 0.284 4.405 4.120 0.000 0.000 0.305 329 V C -0.506 175.529 176.094 -0.098 0.000 1.043 329 V CA -0.786 61.477 62.300 -0.062 0.000 0.888 329 V CB 2.127 33.895 31.823 -0.092 0.000 0.995 329 V HN 0.849 nan 8.190 nan 0.000 0.429 330 T N 5.319 119.818 114.554 -0.092 0.000 2.770 330 T HA 0.497 4.847 4.350 0.000 0.000 0.283 330 T C 0.652 175.206 174.700 -0.242 0.000 0.988 330 T CA -0.205 61.806 62.100 -0.148 0.000 0.957 330 T CB 1.449 70.303 68.868 -0.024 0.000 0.930 330 T HN 0.394 nan 8.240 nan 0.000 0.443 331 L N 3.264 124.249 121.223 -0.398 0.000 2.253 331 L HA 0.460 4.800 4.340 0.000 0.000 0.205 331 L C 0.334 177.113 176.870 -0.152 0.000 1.078 331 L CA 0.906 55.521 54.840 -0.374 0.000 0.805 331 L CB 0.192 41.748 42.059 -0.838 0.000 0.963 331 L HN 0.546 nan 8.230 nan 0.000 0.459 332 I N -0.507 119.918 120.570 -0.241 0.000 2.534 332 I HA 0.615 4.786 4.170 0.000 0.000 0.286 332 I C 0.054 176.055 176.117 -0.195 0.000 1.094 332 I CA -0.441 60.803 61.300 -0.092 0.000 1.055 332 I CB 1.596 39.603 38.000 0.011 0.000 1.225 332 I HN 0.125 nan 8.210 nan 0.000 0.435 333 G N 5.419 114.170 108.800 -0.081 0.000 2.332 333 G HA2 0.179 4.140 3.960 0.000 0.000 0.265 333 G HA3 0.179 4.140 3.960 0.000 0.000 0.265 333 G C -1.831 173.066 174.900 -0.005 0.000 1.329 333 G CA -0.933 44.133 45.100 -0.057 0.000 0.949 333 G HN 0.732 nan 8.290 nan 0.000 0.476 334 R N -0.157 120.355 120.500 0.019 0.000 2.795 334 R HA 0.783 5.123 4.340 0.000 0.000 0.275 334 R C -1.423 174.892 176.300 0.025 0.000 0.981 334 R CA -0.718 55.395 56.100 0.022 0.000 0.917 334 R CB 1.849 32.161 30.300 0.020 0.000 1.202 334 R HN 0.557 nan 8.270 nan 0.000 0.469 335 Q N 1.812 121.623 119.800 0.018 0.000 2.269 335 Q HA 0.304 4.645 4.340 0.000 0.000 0.263 335 Q C -0.167 175.837 176.000 0.007 0.000 0.983 335 Q CA 0.032 55.842 55.803 0.012 0.000 0.777 335 Q CB 2.191 30.936 28.738 0.011 0.000 1.273 335 Q HN 1.060 nan 8.270 nan 0.000 0.440 336 G N 3.343 112.144 108.800 0.003 0.000 2.634 336 G HA2 -0.353 3.608 3.960 0.000 0.000 0.318 336 G HA3 -0.353 3.608 3.960 0.000 0.000 0.318 336 G C 0.268 175.171 174.900 0.004 0.000 1.207 336 G CA 0.665 45.766 45.100 0.001 0.000 0.987 336 G HN 0.718 nan 8.290 nan 0.000 0.547 337 D N 2.080 122.482 120.400 0.003 0.000 2.349 337 D HA 0.166 4.806 4.640 0.000 0.000 0.214 337 D C 0.685 176.991 176.300 0.010 0.000 1.063 337 D CA 0.451 54.455 54.000 0.006 0.000 0.847 337 D CB 0.328 41.130 40.800 0.002 0.000 0.933 337 D HN 0.483 nan 8.370 nan 0.000 0.513 338 E N 0.806 121.013 120.200 0.012 0.000 2.248 338 E HA 0.427 4.777 4.350 0.000 0.000 0.272 338 E C -0.421 176.197 176.600 0.030 0.000 1.008 338 E CA -0.705 55.708 56.400 0.021 0.000 0.856 338 E CB 3.201 32.913 29.700 0.019 0.000 1.120 338 E HN -0.171 nan 8.360 nan 0.000 0.397 339 V N 2.349 122.290 119.914 0.044 0.000 2.969 339 V HA 0.509 4.630 4.120 0.000 0.000 0.304 339 V C -1.623 174.515 176.094 0.073 0.000 1.192 339 V CA -0.624 61.705 62.300 0.048 0.000 0.962 339 V CB 1.847 33.695 31.823 0.043 0.000 1.045 339 V HN 0.601 nan 8.190 nan 0.000 0.428 340 I N 5.988 126.598 120.570 0.067 0.000 2.439 340 I HA 0.514 4.685 4.170 0.000 0.000 0.283 340 I C 0.255 176.434 176.117 0.104 0.000 1.023 340 I CA -0.288 61.072 61.300 0.101 0.000 1.100 340 I CB 2.118 40.160 38.000 0.071 0.000 1.238 340 I HN 0.842 nan 8.210 nan 0.000 0.445 341 S N 5.410 121.181 115.700 0.119 0.000 2.713 341 S HA 0.518 4.989 4.470 0.000 0.000 0.283 341 S C 1.078 175.741 174.600 0.106 0.000 1.161 341 S CA -0.780 57.480 58.200 0.100 0.000 0.999 341 S CB 1.812 65.062 63.200 0.082 0.000 1.039 341 S HN 0.570 nan 8.310 nan 0.000 0.548 342 I N 0.636 121.258 120.570 0.088 0.000 2.361 342 I HA -0.162 4.008 4.170 0.000 0.000 0.251 342 I C 1.567 177.702 176.117 0.030 0.000 1.133 342 I CA 1.205 62.542 61.300 0.061 0.000 1.413 342 I CB -0.349 37.677 38.000 0.043 0.000 1.073 342 I HN 0.661 nan 8.210 nan 0.000 0.424 343 D N 0.792 121.216 120.400 0.040 0.000 2.144 343 D HA -0.169 4.471 4.640 0.000 0.000 0.200 343 D C 1.747 178.071 176.300 0.041 0.000 0.978 343 D CA 1.112 55.130 54.000 0.032 0.000 0.833 343 D CB -0.233 40.590 40.800 0.037 0.000 0.961 343 D HN 0.299 nan 8.370 nan 0.000 0.470 344 D N 0.115 120.565 120.400 0.084 0.000 2.084 344 D HA -0.104 4.536 4.640 0.000 0.000 0.194 344 D C 2.330 178.641 176.300 0.019 0.000 0.990 344 D CA 0.588 54.675 54.000 0.144 0.000 0.826 344 D CB -0.260 40.708 40.800 0.280 0.000 0.971 344 D HN 0.067 nan 8.370 nan 0.000 0.453 345 V N 1.658 121.524 119.914 -0.081 0.000 2.343 345 V HA -0.233 3.888 4.120 0.000 0.000 0.247 345 V C 2.572 178.501 176.094 -0.276 0.000 1.051 345 V CA 1.777 63.842 62.300 -0.393 0.000 1.036 345 V CB -0.860 30.820 31.823 -0.239 0.000 0.654 345 V HN 0.172 nan 8.190 nan 0.000 0.451 346 A N -0.034 122.708 122.820 -0.129 0.000 1.933 346 A HA -0.262 4.058 4.320 0.000 0.000 0.218 346 A C 2.428 179.964 177.584 -0.079 0.000 1.175 346 A CA 2.072 54.054 52.037 -0.093 0.000 0.628 346 A CB -0.571 18.406 19.000 -0.039 0.000 0.814 346 A HN 0.498 nan 8.150 nan 0.000 0.444 347 R N -1.491 118.979 120.500 -0.049 0.000 2.073 347 R HA -0.211 4.129 4.340 0.000 0.000 0.234 347 R C 2.160 178.428 176.300 -0.054 0.000 1.134 347 R CA 1.980 58.065 56.100 -0.025 0.000 0.952 347 R CB -0.477 29.840 30.300 0.028 0.000 0.850 347 R HN 0.734 nan 8.270 nan 0.000 0.433 348 H N -0.033 118.927 119.070 -0.183 0.000 2.387 348 H HA -0.020 4.536 4.556 0.000 0.000 0.299 348 H C 1.754 176.953 175.328 -0.215 0.000 1.090 348 H CA 1.762 57.681 56.048 -0.214 0.000 1.332 348 H CB 0.040 29.525 29.762 -0.462 0.000 1.386 348 H HN 0.165 nan 8.280 nan 0.000 0.516 349 L N 0.273 121.413 121.223 -0.138 0.000 2.552 349 L HA -0.001 4.339 4.340 0.000 0.000 0.227 349 L C 0.123 176.918 176.870 -0.126 0.000 1.146 349 L CA 0.522 55.273 54.840 -0.148 0.000 0.858 349 L CB -0.044 41.905 42.059 -0.185 0.000 0.969 349 L HN 0.377 nan 8.230 nan 0.000 0.451 350 E N 0.485 120.616 120.200 -0.116 0.000 2.271 350 E HA -0.213 4.137 4.350 0.000 0.000 0.223 350 E C 0.157 176.715 176.600 -0.071 0.000 1.223 350 E CA 0.611 56.958 56.400 -0.089 0.000 0.704 350 E CB -1.291 28.353 29.700 -0.093 0.000 1.194 350 E HN 0.419 nan 8.360 nan 0.000 0.375 351 T N -1.156 113.361 114.554 -0.063 0.000 2.647 351 T HA 0.716 5.066 4.350 0.000 0.000 0.295 351 T C -0.763 173.924 174.700 -0.021 0.000 1.126 351 T CA -0.445 61.626 62.100 -0.048 0.000 1.040 351 T CB 1.226 70.058 68.868 -0.060 0.000 1.472 351 T HN 0.333 nan 8.240 nan 0.000 0.500 352 I N 1.191 121.765 120.570 0.006 0.000 2.676 352 I HA 0.547 4.718 4.170 0.000 0.000 0.309 352 I C 1.354 177.519 176.117 0.080 0.000 0.990 352 I CA -1.043 60.298 61.300 0.068 0.000 1.168 352 I CB 1.432 39.513 38.000 0.134 0.000 1.343 352 I HN 0.754 nan 8.210 nan 0.000 0.482 353 N N 2.554 121.304 118.700 0.084 0.000 2.205 353 N HA -0.277 4.464 4.740 0.000 0.000 0.186 353 N C 1.305 176.820 175.510 0.009 0.000 1.015 353 N CA 1.649 54.707 53.050 0.012 0.000 0.862 353 N CB -0.990 37.477 38.487 -0.034 0.000 0.986 353 N HN 0.809 nan 8.380 nan 0.000 0.429 354 Y N 0.896 121.157 120.300 -0.064 0.000 2.114 354 Y HA -0.173 4.377 4.550 0.000 0.000 0.282 354 Y C 2.649 178.444 175.900 -0.175 0.000 1.165 354 Y CA 1.797 59.821 58.100 -0.126 0.000 1.148 354 Y CB -0.538 37.832 38.460 -0.150 0.000 0.972 354 Y HN 0.254 nan 8.280 nan 0.000 0.504 355 E N -0.107 120.120 120.200 0.044 0.000 2.268 355 E HA -0.138 4.212 4.350 0.000 0.000 0.195 355 E C 2.010 178.564 176.600 -0.076 0.000 0.995 355 E CA 0.926 57.301 56.400 -0.042 0.000 0.836 355 E CB -0.022 29.651 29.700 -0.045 0.000 0.763 355 E HN 0.276 nan 8.360 nan 0.000 0.491 356 V N 1.394 121.257 119.914 -0.085 0.000 2.270 356 V HA -0.148 3.972 4.120 0.000 0.000 0.245 356 V C -0.851 175.136 176.094 -0.178 0.000 1.043 356 V CA 1.873 64.107 62.300 -0.110 0.000 1.014 356 V CB -1.385 30.383 31.823 -0.092 0.000 0.645 356 V HN 0.301 nan 8.190 nan 0.000 0.447 357 P HA -0.073 nan 4.420 nan 0.000 0.220 357 P C 1.661 178.760 177.300 -0.335 0.000 1.148 357 P CA 1.287 64.038 63.100 -0.580 0.000 0.803 357 P CB -0.256 30.997 31.700 -0.745 0.000 0.782 358 C N -1.474 117.712 119.300 -0.191 0.000 2.446 358 C HA -0.031 4.429 4.460 0.000 0.000 0.279 358 C C 2.514 177.473 174.990 -0.052 0.000 1.366 358 C CA 1.442 60.398 59.018 -0.104 0.000 1.763 358 C CB -1.835 25.844 27.740 -0.103 0.000 1.929 358 C HN 0.287 nan 8.230 nan 0.000 0.509 359 T N 0.969 115.490 114.554 -0.055 0.000 3.067 359 T HA 0.126 4.477 4.350 0.000 0.000 0.261 359 T C 0.672 175.387 174.700 0.025 0.000 1.110 359 T CA 0.501 62.596 62.100 -0.008 0.000 1.113 359 T CB -0.138 68.719 68.868 -0.019 0.000 0.917 359 T HN 0.229 nan 8.240 nan 0.000 0.499 360 I N 4.322 124.898 120.570 0.011 0.000 2.576 360 I HA 0.076 4.247 4.170 0.000 0.000 0.288 360 I C 1.294 177.437 176.117 0.044 0.000 1.126 360 I CA -0.215 61.120 61.300 0.058 0.000 1.362 360 I CB -1.081 36.984 38.000 0.108 0.000 1.419 360 I HN 0.244 nan 8.210 nan 0.000 0.533 361 S N 7.122 122.838 115.700 0.027 0.000 2.598 361 S HA -0.011 4.459 4.470 0.000 0.000 0.256 361 S C 1.368 175.941 174.600 -0.045 0.000 1.350 361 S CA -0.106 58.105 58.200 0.018 0.000 0.984 361 S CB 0.269 63.450 63.200 -0.032 0.000 0.930 361 S HN 0.579 nan 8.310 nan 0.000 0.577 362 Y N -0.217 120.115 120.300 0.053 0.000 2.403 362 Y HA 0.087 4.637 4.550 0.000 0.000 0.291 362 Y C 2.201 178.127 175.900 0.045 0.000 1.143 362 Y CA 0.854 58.986 58.100 0.054 0.000 1.257 362 Y CB -0.537 37.957 38.460 0.056 0.000 0.984 362 Y HN 0.490 nan 8.280 nan 0.000 0.550 363 R N 0.714 120.618 120.500 -0.993 0.000 2.148 363 R HA 0.025 4.365 4.340 0.000 0.000 0.227 363 R C -0.087 176.057 176.300 -0.260 0.000 1.103 363 R CA 0.833 56.546 56.100 -0.644 0.000 0.983 363 R CB -0.240 29.703 30.300 -0.594 0.000 0.874 363 R HN 0.214 nan 8.270 nan 0.000 0.451 364 V N 4.458 124.251 119.914 -0.202 0.000 2.385 364 V HA 0.167 4.288 4.120 0.000 0.000 0.269 364 V C -1.968 174.045 176.094 -0.135 0.000 1.043 364 V CA -1.897 60.314 62.300 -0.148 0.000 0.906 364 V CB 1.178 32.928 31.823 -0.121 0.000 0.995 364 V HN 0.067 nan 8.190 nan 0.000 0.467 365 P HA 0.296 nan 4.420 nan 0.000 0.272 365 P C -0.701 176.463 177.300 -0.227 0.000 1.223 365 P CA -0.545 62.417 63.100 -0.231 0.000 0.784 365 P CB 0.890 32.303 31.700 -0.479 0.000 0.923 366 R N 1.897 122.283 120.500 -0.191 0.000 2.343 366 R HA 0.523 4.863 4.340 0.000 0.000 0.320 366 R C -0.218 175.795 176.300 -0.479 0.000 0.956 366 R CA -0.440 55.448 56.100 -0.354 0.000 0.836 366 R CB 0.481 30.554 30.300 -0.378 0.000 1.151 366 R HN 0.465 nan 8.270 nan 0.000 0.450 367 I N 4.639 124.967 120.570 -0.404 0.000 2.336 367 I HA 0.321 4.491 4.170 0.000 0.000 0.292 367 I C -0.560 175.315 176.117 -0.403 0.000 0.991 367 I CA -0.544 60.593 61.300 -0.273 0.000 1.227 367 I CB 0.846 38.819 38.000 -0.045 0.000 1.366 367 I HN 0.370 nan 8.210 nan 0.000 0.466 368 F N 5.782 125.695 119.950 -0.060 0.000 2.421 368 F HA 0.502 5.030 4.527 0.000 0.000 0.337 368 F C -0.222 175.477 175.800 -0.168 0.000 1.105 368 F CA -0.453 57.548 58.000 0.002 0.000 1.049 368 F CB 1.086 40.100 39.000 0.023 0.000 1.139 368 F HN 0.168 nan 8.300 nan 0.000 0.479 369 F N 1.815 121.888 119.950 0.206 0.000 2.508 369 F HA 0.763 5.290 4.527 0.001 0.000 0.325 369 F C -0.216 175.639 175.800 0.091 0.000 1.090 369 F CA -0.914 57.159 58.000 0.121 0.000 0.945 369 F CB 2.166 41.213 39.000 0.079 0.000 1.156 369 F HN 0.276 nan 8.300 nan 0.000 0.463 370 R N 0.673 121.294 120.500 0.203 0.000 2.522 370 R HA 0.374 4.714 4.340 0.000 0.000 0.273 370 R C -1.177 175.145 176.300 0.037 0.000 1.133 370 R CA -0.949 55.157 56.100 0.011 0.000 0.969 370 R CB 0.161 30.434 30.300 -0.045 0.000 1.235 370 R HN 0.741 nan 8.270 nan 0.000 0.433 371 H N 2.637 121.743 119.070 0.060 0.000 2.862 371 H HA -0.181 4.375 4.556 0.000 0.000 0.290 371 H C -0.057 175.312 175.328 0.067 0.000 1.211 371 H CA 0.954 57.021 56.048 0.031 0.000 1.140 371 H CB -0.668 29.096 29.762 0.003 0.000 1.341 371 H HN 0.717 nan 8.280 nan 0.000 0.392 372 K N -1.809 118.699 120.400 0.180 0.000 3.407 372 K HA -0.202 4.119 4.320 0.000 0.000 0.312 372 K C -0.302 176.452 176.600 0.257 0.000 1.302 372 K CA 1.684 58.081 56.287 0.184 0.000 0.931 372 K CB -0.491 32.079 32.500 0.118 0.000 1.257 372 K HN 0.676 nan 8.250 nan 0.000 0.454 373 R N 0.008 120.665 120.500 0.260 0.000 2.807 373 R HA 0.478 4.818 4.340 0.000 0.000 0.276 373 R C 0.008 176.338 176.300 0.049 0.000 0.979 373 R CA -1.027 55.181 56.100 0.180 0.000 0.928 373 R CB 1.070 31.431 30.300 0.103 0.000 1.191 373 R HN 0.003 nan 8.270 nan 0.000 0.471 374 I N 2.552 123.020 120.570 -0.171 0.000 2.598 374 I HA -0.064 4.106 4.170 0.000 0.000 0.284 374 I C 1.636 177.637 176.117 -0.194 0.000 1.140 374 I CA 0.329 61.336 61.300 -0.487 0.000 1.420 374 I CB 0.722 38.443 38.000 -0.465 0.000 1.387 374 I HN 0.571 nan 8.210 nan 0.000 0.553 375 M N 5.501 125.017 119.600 -0.139 0.000 2.369 375 M HA 0.094 4.575 4.480 0.000 0.000 0.254 375 M C 0.532 176.831 176.300 -0.002 0.000 1.136 375 M CA 1.251 56.539 55.300 -0.020 0.000 1.190 375 M CB 0.521 33.143 32.600 0.038 0.000 1.289 375 M HN 0.729 nan 8.290 nan 0.000 0.468 376 E N -0.693 119.546 120.200 0.066 0.000 2.445 376 E HA 0.472 4.822 4.350 0.000 0.000 0.279 376 E C -1.637 175.084 176.600 0.202 0.000 1.018 376 E CA -0.969 55.491 56.400 0.101 0.000 0.816 376 E CB 2.231 31.976 29.700 0.075 0.000 1.356 376 E HN 0.053 nan 8.360 nan 0.000 0.462 377 V N 1.027 121.035 119.914 0.156 0.000 2.495 377 V HA 0.510 4.630 4.120 0.000 0.000 0.298 377 V C -0.408 175.801 176.094 0.191 0.000 1.031 377 V CA -0.743 61.647 62.300 0.150 0.000 0.871 377 V CB 1.599 33.492 31.823 0.117 0.000 0.988 377 V HN 0.653 nan 8.190 nan 0.000 0.432 378 R N 3.789 124.414 120.500 0.207 0.000 2.358 378 R HA 0.380 4.720 4.340 0.000 0.000 0.309 378 R C -0.755 175.615 176.300 0.115 0.000 1.026 378 R CA -0.420 55.809 56.100 0.216 0.000 0.909 378 R CB 0.546 31.091 30.300 0.408 0.000 1.153 378 R HN 0.716 nan 8.270 nan 0.000 0.515 379 N N 3.284 122.047 118.700 0.106 0.000 2.501 379 N HA 0.182 4.923 4.740 0.000 0.000 0.245 379 N C 0.602 176.180 175.510 0.114 0.000 0.974 379 N CA -0.045 53.057 53.050 0.086 0.000 0.941 379 N CB 1.748 40.300 38.487 0.109 0.000 1.122 379 N HN 0.655 nan 8.380 nan 0.000 0.507 380 A N 4.121 127.019 122.820 0.129 0.000 1.884 380 A HA -0.174 4.147 4.320 0.000 0.000 0.219 380 A C 1.639 179.327 177.584 0.174 0.000 1.197 380 A CA 1.700 53.840 52.037 0.171 0.000 0.637 380 A CB -0.763 18.388 19.000 0.252 0.000 0.827 380 A HN 0.824 nan 8.150 nan 0.000 0.450 381 I N -2.147 118.539 120.570 0.193 0.000 3.812 381 I HA 0.403 4.573 4.170 0.000 0.000 0.319 381 I C 0.869 177.069 176.117 0.140 0.000 1.353 381 I CA -0.257 61.151 61.300 0.180 0.000 1.170 381 I CB -0.855 37.281 38.000 0.226 0.000 1.057 381 I HN 0.128 nan 8.210 nan 0.000 0.411 382 G N 1.417 110.293 108.800 0.127 0.000 2.636 382 G HA2 0.450 4.410 3.960 0.000 0.000 0.246 382 G HA3 0.450 4.410 3.960 0.000 0.000 0.246 382 G C 0.470 175.432 174.900 0.104 0.000 1.216 382 G CA 0.112 45.283 45.100 0.119 0.000 0.854 382 G HN 0.696 nan 8.290 nan 0.000 0.572 383 R N 0.000 120.562 120.500 0.104 0.000 2.786 383 R HA 0.000 4.340 4.340 0.000 0.000 0.208 383 R CA 0.000 56.151 56.100 0.084 0.000 0.921 383 R CB 0.000 30.352 30.300 0.088 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535