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 3ale_1_B DATA FIRST_RESID 20 DATA SEQUENCE SQRADGLAAV LAIGTANPPN CVTQEEIPDF YFRVTNSDHL TALKDKFKRI DATA SEQUENCE CQEMGVQRRY LHHTEEMLSA HPEFVDRDAP SLDARLDIAA DAVPELAAEA DATA SEQUENCE AKKAIAEWGR PAADITHLVV TTNSGAHVPG VDFRLVPLLG LRPSVRRTML DATA SEQUENCE HLNGCFAGCA ALRLAKDLAE NSRGARVLVV AAELTLMYFT GPDEGCFRTL DATA SEQUENCE LVQGLFGDGA AAVIVGADAD DVERPLFEIV SAAQTIIPES DHALNMRFTE DATA SEQUENCE RRLDGVLGRQ VPGLIGDNVE RCLLDMFGPX XXXXXXGGWN DLFWAVHPGS DATA SEQUENCE STIMDQVDAA LGLEPGKLAA SRRVLSDYGN MSGATVIFAL DELRRQRKXX DATA SEQUENCE XXXXXWPELG VMMAFGPGMT VDAMLLHATS 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.610 174.600 0.017 0.000 1.055 20 S CA 0.000 58.211 58.200 0.017 0.000 1.107 20 S CB 0.000 63.213 63.200 0.022 0.000 0.593 21 Q N 0.655 120.467 119.800 0.020 0.000 2.435 21 Q HA 0.672 5.017 4.340 0.008 0.000 0.282 21 Q C -1.739 174.274 176.000 0.022 0.000 1.020 21 Q CA -0.484 55.330 55.803 0.019 0.000 0.820 21 Q CB 1.606 30.355 28.738 0.018 0.000 1.436 21 Q HN 0.715 nan 8.270 nan 0.000 0.395 22 R N 0.666 121.176 120.500 0.017 0.000 2.923 22 R HA 0.950 5.295 4.340 0.008 0.000 0.252 22 R C -0.693 175.616 176.300 0.015 0.000 1.130 22 R CA -0.844 55.265 56.100 0.016 0.000 1.043 22 R CB 1.308 31.614 30.300 0.011 0.000 1.205 22 R HN 0.668 nan 8.270 nan 0.000 0.495 23 A N 0.261 123.088 122.820 0.012 0.000 2.313 23 A HA 0.170 4.495 4.320 0.008 0.000 0.261 23 A C -0.154 177.435 177.584 0.008 0.000 1.090 23 A CA -0.337 51.707 52.037 0.011 0.000 0.807 23 A CB 0.263 19.267 19.000 0.006 0.000 1.055 23 A HN 0.797 nan 8.150 nan 0.000 0.492 24 D N 0.373 120.778 120.400 0.009 0.000 2.414 24 D HA 0.137 4.782 4.640 0.008 0.000 0.237 24 D C 1.262 177.565 176.300 0.006 0.000 0.975 24 D CA 1.411 55.415 54.000 0.007 0.000 0.917 24 D CB -0.186 40.619 40.800 0.008 0.000 1.061 24 D HN 0.625 nan 8.370 nan 0.000 0.480 25 G N 0.311 109.115 108.800 0.008 0.000 2.606 25 G HA2 0.535 4.500 3.960 0.008 0.000 0.262 25 G HA3 0.535 4.500 3.960 0.008 0.000 0.262 25 G C -0.179 174.726 174.900 0.008 0.000 1.394 25 G CA -0.569 44.536 45.100 0.009 0.000 1.044 25 G HN 0.010 nan 8.290 nan 0.000 0.553 26 L N 0.500 121.732 121.223 0.014 0.000 2.439 26 L HA 0.450 4.794 4.340 0.008 0.000 0.269 26 L C 1.125 178.001 176.870 0.010 0.000 1.179 26 L CA -0.593 54.256 54.840 0.015 0.000 0.828 26 L CB 0.987 43.064 42.059 0.030 0.000 1.106 26 L HN 0.544 nan 8.230 nan 0.000 0.467 27 A N 2.245 125.065 122.820 0.001 0.000 2.425 27 A HA 0.632 4.957 4.320 0.008 0.000 0.249 27 A C -0.006 177.579 177.584 0.003 0.000 1.084 27 A CA 0.087 52.116 52.037 -0.012 0.000 0.781 27 A CB 0.285 19.268 19.000 -0.028 0.000 1.019 27 A HN 0.798 nan 8.150 nan 0.000 0.490 28 A N 1.790 124.606 122.820 -0.006 0.000 2.454 28 A HA 0.639 4.964 4.320 0.008 0.000 0.302 28 A C -0.657 176.923 177.584 -0.006 0.000 1.079 28 A CA -0.511 51.533 52.037 0.012 0.000 0.731 28 A CB 1.249 20.253 19.000 0.008 0.000 1.299 28 A HN 1.064 nan 8.150 nan 0.000 0.413 29 V N 2.832 122.771 119.914 0.041 0.000 2.427 29 V HA 0.125 4.250 4.120 0.008 0.000 0.268 29 V C 0.859 176.957 176.094 0.007 0.000 1.046 29 V CA 0.251 62.568 62.300 0.028 0.000 0.970 29 V CB 0.555 32.453 31.823 0.125 0.000 1.001 29 V HN 0.798 nan 8.190 nan 0.000 0.476 30 L N 4.264 125.446 121.223 -0.068 0.000 2.463 30 L HA 0.534 4.879 4.340 0.008 0.000 0.219 30 L C 0.823 177.685 176.870 -0.014 0.000 1.088 30 L CA 0.626 55.435 54.840 -0.051 0.000 0.849 30 L CB 0.101 42.093 42.059 -0.112 0.000 1.012 30 L HN 0.732 nan 8.230 nan 0.000 0.468 31 A N 0.238 123.030 122.820 -0.046 0.000 2.608 31 A HA 0.751 5.076 4.320 0.008 0.000 0.292 31 A C -1.487 176.076 177.584 -0.036 0.000 1.066 31 A CA -0.394 51.640 52.037 -0.006 0.000 0.676 31 A CB 1.402 20.432 19.000 0.050 0.000 1.277 31 A HN 0.010 nan 8.150 nan 0.000 0.413 32 I N 0.595 121.146 120.570 -0.032 0.000 2.569 32 I HA 0.642 4.817 4.170 0.008 0.000 0.290 32 I C 0.267 176.322 176.117 -0.102 0.000 1.088 32 I CA -0.586 60.669 61.300 -0.075 0.000 1.047 32 I CB 2.621 40.577 38.000 -0.074 0.000 1.237 32 I HN 0.883 nan 8.210 nan 0.000 0.421 33 G N 2.826 111.541 108.800 -0.142 0.000 2.662 33 G HA2 0.717 4.682 3.960 0.008 0.000 0.302 33 G HA3 0.717 4.682 3.960 0.008 0.000 0.302 33 G C -0.830 173.911 174.900 -0.264 0.000 1.389 33 G CA -0.441 44.562 45.100 -0.161 0.000 0.998 33 G HN 0.597 nan 8.290 nan 0.000 0.502 34 T N -1.513 112.829 114.554 -0.353 0.000 2.907 34 T HA 0.929 5.284 4.350 0.008 0.000 0.290 34 T C -0.211 174.321 174.700 -0.280 0.000 1.066 34 T CA -0.306 61.476 62.100 -0.531 0.000 1.012 34 T CB 2.179 70.269 68.868 -1.296 0.000 1.184 34 T HN 2.000 nan 8.240 nan 0.000 0.522 35 A N 0.997 123.724 122.820 -0.155 0.000 2.586 35 A HA 0.848 5.173 4.320 0.008 0.000 0.290 35 A C -1.662 175.950 177.584 0.046 0.000 1.086 35 A CA -1.132 50.878 52.037 -0.046 0.000 0.665 35 A CB 1.159 20.138 19.000 -0.035 0.000 1.279 35 A HN 0.986 nan 8.150 nan 0.000 0.423 36 N N -0.505 118.190 118.700 -0.008 0.000 2.823 36 N HA 0.654 5.399 4.740 0.008 0.000 0.251 36 N C -3.223 172.297 175.510 0.017 0.000 1.392 36 N CA -1.050 51.999 53.050 -0.002 0.000 0.864 36 N CB 1.549 39.933 38.487 -0.171 0.000 1.481 36 N HN 0.385 nan 8.380 nan 0.000 0.508 37 P HA 0.100 nan 4.420 nan 0.000 0.267 37 P C -1.642 175.756 177.300 0.163 0.000 1.200 37 P CA -0.803 62.398 63.100 0.168 0.000 0.772 37 P CB 0.449 32.283 31.700 0.224 0.000 0.855 38 P HA -0.133 nan 4.420 nan 0.000 0.219 38 P C 0.225 177.629 177.300 0.173 0.000 1.150 38 P CA 1.110 64.287 63.100 0.129 0.000 0.814 38 P CB 0.051 31.799 31.700 0.080 0.000 0.787 39 N N 0.524 119.296 118.700 0.121 0.000 2.427 39 N HA 0.034 4.778 4.740 0.008 0.000 0.269 39 N C -1.056 174.476 175.510 0.036 0.000 1.235 39 N CA -0.130 52.946 53.050 0.043 0.000 0.934 39 N CB -0.521 37.943 38.487 -0.040 0.000 1.121 39 N HN 0.031 nan 8.380 nan 0.000 0.480 40 C N 5.081 124.364 119.300 -0.029 0.000 2.281 40 C HA 0.660 5.125 4.460 0.008 0.000 0.325 40 C C -0.640 174.183 174.990 -0.278 0.000 1.282 40 C CA -0.562 58.300 59.018 -0.261 0.000 1.640 40 C CB -0.687 26.916 27.740 -0.229 0.000 2.288 40 C HN 0.465 nan 8.230 nan 0.000 0.507 41 V N 7.051 126.761 119.914 -0.340 0.000 2.378 41 V HA 0.432 4.557 4.120 0.008 0.000 0.288 41 V C 0.854 176.820 176.094 -0.214 0.000 1.016 41 V CA -0.213 61.920 62.300 -0.278 0.000 0.840 41 V CB 1.615 33.230 31.823 -0.347 0.000 0.994 41 V HN 1.006 nan 8.190 nan 0.000 0.431 42 T N 1.536 116.000 114.554 -0.151 0.000 2.813 42 T HA 0.132 4.487 4.350 0.008 0.000 0.297 42 T C 0.937 175.597 174.700 -0.068 0.000 1.036 42 T CA 0.104 62.136 62.100 -0.114 0.000 1.044 42 T CB 1.198 70.019 68.868 -0.079 0.000 0.993 42 T HN 0.570 nan 8.240 nan 0.000 0.535 43 Q N 0.422 120.185 119.800 -0.063 0.000 2.167 43 Q HA -0.096 4.249 4.340 0.008 0.000 0.202 43 Q C 1.953 177.931 176.000 -0.036 0.000 0.970 43 Q CA 1.847 57.622 55.803 -0.047 0.000 0.855 43 Q CB -0.363 28.339 28.738 -0.061 0.000 0.911 43 Q HN 0.877 nan 8.270 nan 0.000 0.438 44 E N 0.559 120.740 120.200 -0.031 0.000 2.110 44 E HA -0.205 4.150 4.350 0.008 0.000 0.193 44 E C 1.302 177.915 176.600 0.021 0.000 0.988 44 E CA 1.623 58.013 56.400 -0.017 0.000 0.804 44 E CB -0.140 29.550 29.700 -0.016 0.000 0.745 44 E HN 0.745 nan 8.360 nan 0.000 0.458 45 E N -0.032 120.190 120.200 0.037 0.000 2.474 45 E HA 0.035 4.389 4.350 0.008 0.000 0.195 45 E C 1.652 178.367 176.600 0.192 0.000 1.039 45 E CA -0.063 56.394 56.400 0.094 0.000 0.881 45 E CB -0.031 29.703 29.700 0.058 0.000 0.970 45 E HN 0.165 nan 8.360 nan 0.000 0.486 46 I N 2.404 123.085 120.570 0.186 0.000 2.252 46 I HA -0.099 4.076 4.170 0.008 0.000 0.245 46 I C -0.931 175.557 176.117 0.619 0.000 1.102 46 I CA 0.651 62.165 61.300 0.356 0.000 1.385 46 I CB -0.295 37.865 38.000 0.267 0.000 1.064 46 I HN 0.011 nan 8.210 nan 0.000 0.414 47 P HA -0.127 nan 4.420 nan 0.000 0.214 47 P C 0.969 178.647 177.300 0.630 0.000 1.163 47 P CA 1.821 65.387 63.100 0.777 0.000 0.883 47 P CB -0.104 31.794 31.700 0.331 0.000 0.788 48 D N -1.327 119.305 120.400 0.387 0.000 2.097 48 D HA -0.187 4.458 4.640 0.008 0.000 0.195 48 D C 1.661 178.174 176.300 0.356 0.000 0.989 48 D CA 0.913 55.096 54.000 0.306 0.000 0.827 48 D CB -1.036 39.889 40.800 0.208 0.000 0.966 48 D HN 0.076 nan 8.370 nan 0.000 0.456 49 F N 0.466 120.573 119.950 0.263 0.000 2.043 49 F HA -0.311 4.221 4.527 0.008 0.000 0.297 49 F C 2.213 178.190 175.800 0.294 0.000 1.121 49 F CA 1.345 59.490 58.000 0.243 0.000 1.199 49 F CB -0.700 38.439 39.000 0.231 0.000 0.968 49 F HN -0.011 nan 8.300 nan 0.000 0.478 50 Y N 0.055 120.522 120.300 0.279 0.000 2.081 50 Y HA -0.289 4.266 4.550 0.008 0.000 0.280 50 Y C 2.064 177.891 175.900 -0.121 0.000 1.163 50 Y CA 2.057 60.201 58.100 0.074 0.000 1.135 50 Y CB -1.200 37.337 38.460 0.129 0.000 0.970 50 Y HN 0.109 nan 8.280 nan 0.000 0.498 51 F N -0.086 119.756 119.950 -0.178 0.000 2.604 51 F HA -0.015 4.517 4.527 0.008 0.000 0.298 51 F C 2.511 178.192 175.800 -0.199 0.000 1.131 51 F CA 1.304 59.142 58.000 -0.270 0.000 1.457 51 F CB -0.376 38.572 39.000 -0.087 0.000 1.095 51 F HN 0.018 nan 8.300 nan 0.000 0.574 52 R N 0.559 121.034 120.500 -0.041 0.000 2.055 52 R HA -0.049 4.296 4.340 0.008 0.000 0.221 52 R C 2.160 178.370 176.300 -0.149 0.000 1.154 52 R CA 1.449 57.515 56.100 -0.056 0.000 0.975 52 R CB -0.498 29.793 30.300 -0.015 0.000 0.869 52 R HN 0.170 nan 8.270 nan 0.000 0.437 53 V N -0.419 119.329 119.914 -0.277 0.000 3.078 53 V HA -0.036 4.089 4.120 0.008 0.000 0.265 53 V C 1.406 177.414 176.094 -0.143 0.000 1.122 53 V CA 1.730 63.896 62.300 -0.223 0.000 1.141 53 V CB -0.625 30.996 31.823 -0.337 0.000 0.735 53 V HN 0.551 nan 8.190 nan 0.000 0.498 54 T N -2.707 111.687 114.554 -0.266 0.000 3.134 54 T HA 0.250 4.605 4.350 0.008 0.000 0.260 54 T C 0.453 175.028 174.700 -0.209 0.000 1.027 54 T CA 0.193 62.118 62.100 -0.290 0.000 0.913 54 T CB -1.151 67.314 68.868 -0.672 0.000 1.046 54 T HN 0.594 nan 8.240 nan 0.000 0.553 55 N N 1.658 120.283 118.700 -0.125 0.000 2.667 55 N HA -0.166 4.579 4.740 0.008 0.000 0.263 55 N C -0.057 175.484 175.510 0.052 0.000 1.038 55 N CA 0.722 53.757 53.050 -0.026 0.000 0.749 55 N CB -1.432 37.047 38.487 -0.013 0.000 0.892 55 N HN 0.702 nan 8.380 nan 0.000 0.546 56 S N -2.706 113.008 115.700 0.024 0.000 2.924 56 S HA 0.174 4.649 4.470 0.008 0.000 0.244 56 S C 0.124 174.760 174.600 0.061 0.000 0.842 56 S CA -0.761 57.433 58.200 -0.009 0.000 1.086 56 S CB 0.589 63.662 63.200 -0.212 0.000 1.295 56 S HN 0.139 nan 8.310 nan 0.000 0.500 57 D N 2.625 123.134 120.400 0.181 0.000 2.350 57 D HA -0.103 4.542 4.640 0.008 0.000 0.216 57 D C 1.840 178.202 176.300 0.103 0.000 0.968 57 D CA 1.058 55.148 54.000 0.151 0.000 0.894 57 D CB -0.174 40.702 40.800 0.126 0.000 0.909 57 D HN 0.814 nan 8.370 nan 0.000 0.520 58 H N -0.164 118.940 119.070 0.056 0.000 2.502 58 H HA 0.018 4.579 4.556 0.008 0.000 0.283 58 H C 1.224 176.574 175.328 0.035 0.000 1.015 58 H CA 0.163 56.230 56.048 0.032 0.000 1.298 58 H CB -0.625 29.148 29.762 0.019 0.000 1.411 58 H HN 0.115 nan 8.280 nan 0.000 0.556 59 L N 3.885 124.870 121.223 -0.396 0.000 2.650 59 L HA 0.031 4.376 4.340 0.008 0.000 0.239 59 L C 1.755 178.562 176.870 -0.105 0.000 1.412 59 L CA 0.109 54.817 54.840 -0.219 0.000 1.219 59 L CB -0.261 41.676 42.059 -0.202 0.000 1.534 59 L HN 0.317 nan 8.230 nan 0.000 0.430 60 T N -2.581 111.924 114.554 -0.082 0.000 2.685 60 T HA -0.335 4.019 4.350 0.008 0.000 0.268 60 T C 1.932 176.573 174.700 -0.098 0.000 1.034 60 T CA 1.468 63.512 62.100 -0.093 0.000 1.149 60 T CB -0.059 68.784 68.868 -0.042 0.000 0.860 60 T HN 0.507 nan 8.240 nan 0.000 0.449 61 A N 1.569 124.355 122.820 -0.057 0.000 1.873 61 A HA 0.197 4.522 4.320 0.008 0.000 0.215 61 A C 2.366 179.932 177.584 -0.030 0.000 1.186 61 A CA 1.514 53.530 52.037 -0.035 0.000 0.616 61 A CB -0.944 18.048 19.000 -0.013 0.000 0.823 61 A HN 0.479 nan 8.150 nan 0.000 0.442 62 L N 0.172 121.386 121.223 -0.015 0.000 2.042 62 L HA -0.130 4.214 4.340 0.008 0.000 0.210 62 L C 2.233 179.118 176.870 0.025 0.000 1.076 62 L CA 2.655 57.527 54.840 0.054 0.000 0.749 62 L CB -0.540 41.591 42.059 0.119 0.000 0.893 62 L HN 0.456 nan 8.230 nan 0.000 0.432 63 K N -1.149 119.062 120.400 -0.315 0.000 2.283 63 K HA -0.196 4.129 4.320 0.008 0.000 0.202 63 K C 1.775 178.193 176.600 -0.303 0.000 1.048 63 K CA 1.324 57.046 56.287 -0.941 0.000 0.948 63 K CB -0.151 31.592 32.500 -1.261 0.000 0.742 63 K HN 0.471 nan 8.250 nan 0.000 0.458 64 D N 0.545 120.862 120.400 -0.140 0.000 2.162 64 D HA -0.105 4.539 4.640 0.008 0.000 0.205 64 D C 1.706 178.013 176.300 0.011 0.000 0.964 64 D CA 0.844 54.809 54.000 -0.059 0.000 0.847 64 D CB 0.299 41.072 40.800 -0.045 0.000 0.988 64 D HN 0.053 nan 8.370 nan 0.000 0.480 65 K N -0.134 120.303 120.400 0.062 0.000 2.211 65 K HA -0.129 4.195 4.320 0.008 0.000 0.203 65 K C 1.861 178.571 176.600 0.183 0.000 1.050 65 K CA 0.666 57.025 56.287 0.121 0.000 0.945 65 K CB -0.531 32.064 32.500 0.158 0.000 0.732 65 K HN 0.030 nan 8.250 nan 0.000 0.451 66 F N 1.121 121.098 119.950 0.044 0.000 2.407 66 F HA 0.060 4.592 4.527 0.008 0.000 0.299 66 F C 1.367 177.195 175.800 0.046 0.000 1.097 66 F CA 1.151 59.205 58.000 0.090 0.000 1.422 66 F CB 0.150 39.284 39.000 0.224 0.000 1.067 66 F HN -0.048 nan 8.300 nan 0.000 0.539 67 K N -0.100 120.241 120.400 -0.099 0.000 2.044 67 K HA -0.075 4.250 4.320 0.008 0.000 0.204 67 K C 2.202 178.707 176.600 -0.158 0.000 1.049 67 K CA 1.137 57.309 56.287 -0.191 0.000 0.945 67 K CB -0.087 32.355 32.500 -0.096 0.000 0.724 67 K HN 0.162 nan 8.250 nan 0.000 0.440 68 R N 0.964 121.417 120.500 -0.078 0.000 2.070 68 R HA -0.081 4.264 4.340 0.008 0.000 0.233 68 R C 2.336 178.593 176.300 -0.071 0.000 1.137 68 R CA 1.433 57.499 56.100 -0.056 0.000 0.945 68 R CB -0.479 29.812 30.300 -0.015 0.000 0.845 68 R HN 0.143 nan 8.270 nan 0.000 0.430 69 I N 0.258 120.795 120.570 -0.055 0.000 2.068 69 I HA -0.455 3.719 4.170 0.008 0.000 0.238 69 I C 2.411 178.455 176.117 -0.121 0.000 1.046 69 I CA 1.485 62.757 61.300 -0.048 0.000 1.306 69 I CB -0.578 37.446 38.000 0.041 0.000 1.023 69 I HN 0.324 nan 8.210 nan 0.000 0.399 70 C N 0.320 119.459 119.300 -0.269 0.000 2.375 70 C HA -0.262 4.203 4.460 0.008 0.000 0.274 70 C C 2.816 177.709 174.990 -0.161 0.000 1.190 70 C CA 1.262 60.109 59.018 -0.285 0.000 1.775 70 C CB -1.356 26.089 27.740 -0.491 0.000 2.067 70 C HN 0.542 nan 8.230 nan 0.000 0.463 71 Q N 0.007 119.722 119.800 -0.141 0.000 2.364 71 Q HA -0.109 4.236 4.340 0.008 0.000 0.209 71 Q C 1.409 177.369 176.000 -0.066 0.000 0.977 71 Q CA 1.012 56.760 55.803 -0.092 0.000 0.885 71 Q CB -0.040 28.651 28.738 -0.079 0.000 0.941 71 Q HN 0.678 nan 8.270 nan 0.000 0.464 72 E N -1.030 119.132 120.200 -0.064 0.000 2.558 72 E HA 0.108 4.463 4.350 0.008 0.000 0.205 72 E C 0.743 177.319 176.600 -0.039 0.000 1.006 72 E CA 0.008 56.380 56.400 -0.046 0.000 0.961 72 E CB 0.529 30.203 29.700 -0.042 0.000 1.044 72 E HN 0.358 nan 8.360 nan 0.000 0.465 73 M N -0.895 118.680 119.600 -0.042 0.000 2.486 73 M HA 0.149 4.634 4.480 0.008 0.000 0.264 73 M C 1.292 177.581 176.300 -0.017 0.000 1.125 73 M CA 0.994 56.279 55.300 -0.024 0.000 1.144 73 M CB -0.008 32.581 32.600 -0.020 0.000 1.353 73 M HN 0.300 nan 8.290 nan 0.000 0.466 74 G N 0.590 109.376 108.800 -0.024 0.000 2.163 74 G HA2 -0.156 3.809 3.960 0.008 0.000 0.213 74 G HA3 -0.156 3.809 3.960 0.008 0.000 0.213 74 G C -0.052 174.838 174.900 -0.017 0.000 0.991 74 G CA -0.040 45.049 45.100 -0.019 0.000 0.653 74 G HN 0.302 nan 8.290 nan 0.000 0.518 75 V N 0.978 120.880 119.914 -0.020 0.000 2.435 75 V HA 0.448 4.573 4.120 0.008 0.000 0.290 75 V C 1.106 177.174 176.094 -0.043 0.000 1.030 75 V CA -0.230 62.057 62.300 -0.023 0.000 0.881 75 V CB 1.661 33.482 31.823 -0.003 0.000 0.983 75 V HN 0.334 nan 8.190 nan 0.000 0.445 76 Q N 3.197 122.962 119.800 -0.058 0.000 2.373 76 Q HA 0.231 4.576 4.340 0.008 0.000 0.210 76 Q C 0.529 176.471 176.000 -0.097 0.000 0.913 76 Q CA 0.439 56.200 55.803 -0.070 0.000 0.911 76 Q CB 0.776 29.472 28.738 -0.070 0.000 1.040 76 Q HN 0.824 nan 8.270 nan 0.000 0.521 77 R N -1.225 119.201 120.500 -0.124 0.000 2.753 77 R HA 0.572 4.917 4.340 0.008 0.000 0.272 77 R C -1.706 174.459 176.300 -0.224 0.000 1.034 77 R CA -0.849 55.136 56.100 -0.191 0.000 0.869 77 R CB 1.095 31.241 30.300 -0.257 0.000 1.264 77 R HN -0.188 nan 8.270 nan 0.000 0.481 78 R N 0.319 120.644 120.500 -0.293 0.000 2.888 78 R HA 0.530 4.875 4.340 0.008 0.000 0.264 78 R C -1.596 174.418 176.300 -0.478 0.000 1.045 78 R CA -0.686 55.280 56.100 -0.224 0.000 0.962 78 R CB 1.269 31.554 30.300 -0.025 0.000 1.210 78 R HN 0.554 nan 8.270 nan 0.000 0.479 79 Y N 0.686 121.017 120.300 0.053 0.000 2.364 79 Y HA 0.592 5.146 4.550 0.008 0.000 0.340 79 Y C -0.535 175.376 175.900 0.017 0.000 0.975 79 Y CA -0.712 57.411 58.100 0.038 0.000 1.089 79 Y CB 1.434 39.957 38.460 0.105 0.000 1.192 79 Y HN 0.139 nan 8.280 nan 0.000 0.454 80 L N 2.688 123.938 121.223 0.044 0.000 2.385 80 L HA 0.384 4.729 4.340 0.008 0.000 0.273 80 L C 0.550 177.410 176.870 -0.016 0.000 0.990 80 L CA -0.905 53.885 54.840 -0.084 0.000 0.821 80 L CB 1.919 43.696 42.059 -0.470 0.000 1.279 80 L HN 0.727 nan 8.230 nan 0.000 0.412 81 H N 2.043 121.121 119.070 0.014 0.000 2.395 81 H HA -0.019 4.543 4.556 0.009 0.000 0.299 81 H C 0.747 176.122 175.328 0.078 0.000 1.070 81 H CA 0.824 56.915 56.048 0.071 0.000 1.356 81 H CB 0.242 30.073 29.762 0.115 0.000 1.401 81 H HN 0.580 nan 8.280 nan 0.000 0.524 82 H N 0.087 119.200 119.070 0.070 0.000 2.764 82 H HA 0.290 4.850 4.556 0.008 0.000 0.341 82 H C 0.153 175.498 175.328 0.028 0.000 1.072 82 H CA 0.435 56.484 56.048 0.002 0.000 1.444 82 H CB 0.577 30.311 29.762 -0.046 0.000 1.458 82 H HN 0.379 nan 8.280 nan 0.000 0.572 83 T N -0.966 113.654 114.554 0.110 0.000 2.807 83 T HA 0.177 4.532 4.350 0.008 0.000 0.277 83 T C 0.988 175.811 174.700 0.205 0.000 1.006 83 T CA -0.795 61.383 62.100 0.130 0.000 1.006 83 T CB 1.983 70.880 68.868 0.050 0.000 1.274 83 T HN 0.693 nan 8.240 nan 0.000 0.569 84 E N -0.109 120.228 120.200 0.228 0.000 2.150 84 E HA -0.122 4.233 4.350 0.008 0.000 0.193 84 E C 1.900 178.548 176.600 0.080 0.000 0.985 84 E CA 1.056 57.550 56.400 0.157 0.000 0.814 84 E CB 0.040 29.847 29.700 0.179 0.000 0.752 84 E HN 0.790 nan 8.360 nan 0.000 0.466 85 E N 0.091 120.335 120.200 0.072 0.000 2.072 85 E HA -0.185 4.170 4.350 0.008 0.000 0.190 85 E C 2.085 178.710 176.600 0.041 0.000 0.982 85 E CA 0.807 57.231 56.400 0.039 0.000 0.803 85 E CB -0.028 29.689 29.700 0.030 0.000 0.755 85 E HN 0.253 nan 8.360 nan 0.000 0.453 86 M N 0.330 119.979 119.600 0.081 0.000 2.117 86 M HA -0.137 4.348 4.480 0.008 0.000 0.262 86 M C 1.977 178.393 176.300 0.194 0.000 1.065 86 M CA 1.261 56.650 55.300 0.150 0.000 1.114 86 M CB 0.078 32.786 32.600 0.179 0.000 1.361 86 M HN 0.200 nan 8.290 nan 0.000 0.408 87 L N -0.992 120.316 121.223 0.141 0.000 2.093 87 L HA -0.161 4.184 4.340 0.008 0.000 0.208 87 L C 2.370 179.258 176.870 0.030 0.000 1.085 87 L CA 0.903 55.814 54.840 0.117 0.000 0.755 87 L CB -0.505 41.571 42.059 0.029 0.000 0.904 87 L HN 0.256 nan 8.230 nan 0.000 0.435 88 S N -0.130 115.568 115.700 -0.002 0.000 2.402 88 S HA -0.078 4.397 4.470 0.008 0.000 0.229 88 S C 2.020 176.555 174.600 -0.109 0.000 1.021 88 S CA 1.029 59.203 58.200 -0.043 0.000 0.974 88 S CB -0.129 63.052 63.200 -0.031 0.000 0.800 88 S HN 0.479 nan 8.310 nan 0.000 0.484 89 A N 0.476 123.205 122.820 -0.152 0.000 2.206 89 A HA 0.020 4.345 4.320 0.008 0.000 0.211 89 A C 0.475 177.645 177.584 -0.691 0.000 1.158 89 A CA 0.661 52.485 52.037 -0.355 0.000 0.761 89 A CB -0.098 18.693 19.000 -0.348 0.000 0.801 89 A HN 0.511 nan 8.150 nan 0.000 0.473 90 H N -0.954 117.967 119.070 -0.248 0.000 2.514 90 H HA 0.157 4.718 4.556 0.009 0.000 0.226 90 H C -2.188 172.888 175.328 -0.420 0.000 1.421 90 H CA -1.251 54.490 56.048 -0.512 0.000 1.394 90 H CB 0.550 29.610 29.762 -1.169 0.000 1.701 90 H HN 0.278 nan 8.280 nan 0.000 0.515 91 P HA -0.209 nan 4.420 nan 0.000 0.220 91 P C 1.422 178.693 177.300 -0.049 0.000 1.144 91 P CA 1.123 64.179 63.100 -0.073 0.000 0.800 91 P CB 0.391 32.052 31.700 -0.064 0.000 0.772 92 E N -0.408 119.726 120.200 -0.112 0.000 2.204 92 E HA -0.179 4.176 4.350 0.008 0.000 0.195 92 E C 1.565 178.239 176.600 0.124 0.000 0.990 92 E CA 1.007 57.388 56.400 -0.031 0.000 0.821 92 E CB -1.091 28.576 29.700 -0.054 0.000 0.750 92 E HN 0.187 nan 8.360 nan 0.000 0.477 93 F N 1.445 121.450 119.950 0.091 0.000 2.234 93 F HA -0.053 4.479 4.527 0.009 0.000 0.299 93 F C 2.463 178.349 175.800 0.143 0.000 1.087 93 F CA 0.329 58.398 58.000 0.114 0.000 1.340 93 F CB -0.802 38.277 39.000 0.131 0.000 1.031 93 F HN -0.104 nan 8.300 nan 0.000 0.500 94 V N -0.890 119.199 119.914 0.291 0.000 2.649 94 V HA -0.121 4.004 4.120 0.008 0.000 0.248 94 V C 0.784 176.916 176.094 0.063 0.000 1.054 94 V CA 0.950 63.347 62.300 0.161 0.000 1.073 94 V CB -0.507 31.379 31.823 0.105 0.000 0.699 94 V HN 0.103 nan 8.190 nan 0.000 0.463 95 D N 1.134 121.571 120.400 0.062 0.000 2.429 95 D HA -0.044 4.601 4.640 0.008 0.000 0.253 95 D C 1.599 177.920 176.300 0.035 0.000 1.294 95 D CA 0.156 54.174 54.000 0.030 0.000 1.063 95 D CB 0.159 40.974 40.800 0.026 0.000 1.096 95 D HN 0.206 nan 8.370 nan 0.000 0.516 96 R N 2.357 122.861 120.500 0.008 0.000 2.204 96 R HA -0.214 4.131 4.340 0.008 0.000 0.253 96 R C -0.254 176.053 176.300 0.012 0.000 1.172 96 R CA 1.659 57.759 56.100 -0.000 0.000 0.994 96 R CB 0.177 30.458 30.300 -0.033 0.000 0.874 96 R HN 0.341 nan 8.270 nan 0.000 0.462 97 D N -0.673 119.734 120.400 0.012 0.000 3.068 97 D HA 0.336 4.981 4.640 0.008 0.000 0.327 97 D C -1.178 175.134 176.300 0.020 0.000 1.361 97 D CA -0.050 53.958 54.000 0.013 0.000 0.877 97 D CB 1.566 42.369 40.800 0.004 0.000 1.088 97 D HN 0.268 nan 8.370 nan 0.000 0.489 98 A N 1.561 124.400 122.820 0.032 0.000 2.486 98 A HA 0.684 5.009 4.320 0.008 0.000 0.300 98 A C -2.756 174.857 177.584 0.049 0.000 1.048 98 A CA -1.667 50.390 52.037 0.034 0.000 0.696 98 A CB 1.613 20.631 19.000 0.031 0.000 1.278 98 A HN -0.032 nan 8.150 nan 0.000 0.405 99 P HA 0.154 nan 4.420 nan 0.000 0.267 99 P C 0.254 177.594 177.300 0.066 0.000 1.205 99 P CA 0.381 63.507 63.100 0.043 0.000 0.765 99 P CB 1.170 32.885 31.700 0.025 0.000 0.828 100 S N 1.168 116.923 115.700 0.091 0.000 2.874 100 S HA 0.004 4.479 4.470 0.008 0.000 0.257 100 S C 1.151 175.836 174.600 0.142 0.000 0.975 100 S CA -0.347 57.947 58.200 0.158 0.000 1.326 100 S CB -0.775 62.608 63.200 0.304 0.000 1.215 100 S HN 0.209 nan 8.310 nan 0.000 0.679 101 L N 2.976 124.227 121.223 0.046 0.000 2.043 101 L HA -0.041 4.304 4.340 0.008 0.000 0.212 101 L C 1.717 178.562 176.870 -0.042 0.000 1.075 101 L CA 2.327 57.148 54.840 -0.031 0.000 0.752 101 L CB -0.775 41.231 42.059 -0.089 0.000 0.891 101 L HN 0.203 nan 8.230 nan 0.000 0.432 102 D N -0.174 120.216 120.400 -0.017 0.000 2.106 102 D HA -0.222 4.423 4.640 0.008 0.000 0.191 102 D C 2.219 178.539 176.300 0.033 0.000 0.997 102 D CA 1.802 55.797 54.000 -0.010 0.000 0.834 102 D CB -0.442 40.359 40.800 0.003 0.000 0.956 102 D HN 0.492 nan 8.370 nan 0.000 0.448 103 A N 0.760 123.630 122.820 0.084 0.000 1.908 103 A HA -0.228 4.097 4.320 0.008 0.000 0.218 103 A C 2.174 179.838 177.584 0.133 0.000 1.181 103 A CA 1.659 53.757 52.037 0.101 0.000 0.627 103 A CB -0.478 18.565 19.000 0.072 0.000 0.818 103 A HN 0.161 nan 8.150 nan 0.000 0.445 104 R N -0.657 119.907 120.500 0.106 0.000 2.075 104 R HA 0.004 4.349 4.340 0.008 0.000 0.232 104 R C 1.993 178.249 176.300 -0.073 0.000 1.126 104 R CA 1.439 57.466 56.100 -0.122 0.000 0.963 104 R CB -0.475 29.686 30.300 -0.232 0.000 0.858 104 R HN 0.500 nan 8.270 nan 0.000 0.435 105 L N 0.641 121.837 121.223 -0.045 0.000 2.217 105 L HA -0.139 4.206 4.340 0.008 0.000 0.211 105 L C 1.473 178.396 176.870 0.088 0.000 1.107 105 L CA 0.850 55.697 54.840 0.012 0.000 0.783 105 L CB -0.320 41.706 42.059 -0.055 0.000 0.919 105 L HN 0.137 nan 8.230 nan 0.000 0.442 106 D N 0.329 120.767 120.400 0.063 0.000 2.149 106 D HA -0.106 4.538 4.640 0.008 0.000 0.201 106 D C 2.284 178.607 176.300 0.037 0.000 0.972 106 D CA 1.206 55.242 54.000 0.059 0.000 0.835 106 D CB 0.030 40.869 40.800 0.065 0.000 0.966 106 D HN 0.320 nan 8.370 nan 0.000 0.476 107 I N 1.107 121.704 120.570 0.045 0.000 2.315 107 I HA -0.180 3.995 4.170 0.008 0.000 0.248 107 I C 2.439 178.556 176.117 0.000 0.000 1.117 107 I CA 0.809 62.149 61.300 0.068 0.000 1.404 107 I CB -0.168 37.900 38.000 0.114 0.000 1.071 107 I HN -0.089 nan 8.210 nan 0.000 0.419 108 A N 0.853 123.657 122.820 -0.027 0.000 1.930 108 A HA -0.081 4.244 4.320 0.008 0.000 0.217 108 A C 2.545 180.081 177.584 -0.080 0.000 1.175 108 A CA 1.487 53.489 52.037 -0.058 0.000 0.627 108 A CB -0.741 18.245 19.000 -0.023 0.000 0.815 108 A HN 0.401 nan 8.150 nan 0.000 0.443 109 A N -0.333 122.417 122.820 -0.116 0.000 2.084 109 A HA -0.196 4.128 4.320 0.008 0.000 0.221 109 A C 1.610 179.097 177.584 -0.161 0.000 1.161 109 A CA 2.117 53.983 52.037 -0.286 0.000 0.653 109 A CB -0.337 18.416 19.000 -0.412 0.000 0.802 109 A HN 0.505 nan 8.150 nan 0.000 0.457 110 D N -1.400 118.946 120.400 -0.089 0.000 2.615 110 D HA 0.251 4.896 4.640 0.008 0.000 0.259 110 D C 2.251 178.513 176.300 -0.063 0.000 0.999 110 D CA 1.075 55.044 54.000 -0.052 0.000 0.938 110 D CB -0.714 40.082 40.800 -0.007 0.000 1.121 110 D HN 0.298 nan 8.370 nan 0.000 0.487 111 A N 1.163 123.916 122.820 -0.113 0.000 1.908 111 A HA -0.145 4.180 4.320 0.008 0.000 0.218 111 A C 2.402 179.883 177.584 -0.171 0.000 1.181 111 A CA 1.428 53.323 52.037 -0.237 0.000 0.627 111 A CB -0.836 17.762 19.000 -0.670 0.000 0.818 111 A HN 0.120 nan 8.150 nan 0.000 0.445 112 V N 0.383 120.222 119.914 -0.124 0.000 2.261 112 V HA -0.173 3.952 4.120 0.008 0.000 0.246 112 V C -0.015 176.052 176.094 -0.044 0.000 1.047 112 V CA 2.557 64.816 62.300 -0.068 0.000 1.015 112 V CB -1.582 30.222 31.823 -0.031 0.000 0.642 112 V HN 0.364 nan 8.190 nan 0.000 0.446 113 P HA -0.149 nan 4.420 nan 0.000 0.216 113 P C 1.643 178.926 177.300 -0.027 0.000 1.150 113 P CA 1.346 64.429 63.100 -0.028 0.000 0.843 113 P CB -0.039 31.644 31.700 -0.029 0.000 0.787 114 E N -0.576 119.607 120.200 -0.029 0.000 2.012 114 E HA -0.188 4.167 4.350 0.008 0.000 0.197 114 E C 2.007 178.600 176.600 -0.011 0.000 1.007 114 E CA 1.094 57.485 56.400 -0.015 0.000 0.816 114 E CB -1.271 28.426 29.700 -0.006 0.000 0.762 114 E HN 0.150 nan 8.360 nan 0.000 0.451 115 L N 1.142 122.354 121.223 -0.018 0.000 2.042 115 L HA -0.144 4.201 4.340 0.008 0.000 0.210 115 L C 2.278 179.144 176.870 -0.007 0.000 1.076 115 L CA 2.102 56.939 54.840 -0.005 0.000 0.749 115 L CB -0.738 41.318 42.059 -0.006 0.000 0.893 115 L HN 0.092 nan 8.230 nan 0.000 0.432 116 A N -0.918 121.894 122.820 -0.013 0.000 1.930 116 A HA -0.036 4.289 4.320 0.008 0.000 0.217 116 A C 2.434 180.006 177.584 -0.020 0.000 1.175 116 A CA 1.562 53.590 52.037 -0.015 0.000 0.627 116 A CB -1.008 17.983 19.000 -0.015 0.000 0.815 116 A HN 0.545 nan 8.150 nan 0.000 0.443 117 A N -0.069 122.739 122.820 -0.019 0.000 1.877 117 A HA -0.191 4.134 4.320 0.008 0.000 0.216 117 A C 2.030 179.604 177.584 -0.017 0.000 1.186 117 A CA 1.831 53.857 52.037 -0.019 0.000 0.620 117 A CB -0.624 18.365 19.000 -0.019 0.000 0.822 117 A HN 0.681 nan 8.150 nan 0.000 0.443 118 E N -0.010 120.181 120.200 -0.015 0.000 2.049 118 E HA -0.200 4.155 4.350 0.008 0.000 0.198 118 E C 2.104 178.686 176.600 -0.030 0.000 1.007 118 E CA 1.445 57.835 56.400 -0.017 0.000 0.809 118 E CB -0.324 29.369 29.700 -0.011 0.000 0.749 118 E HN 0.511 nan 8.360 nan 0.000 0.450 119 A N 0.969 123.765 122.820 -0.039 0.000 1.933 119 A HA -0.075 4.250 4.320 0.008 0.000 0.218 119 A C 2.373 179.922 177.584 -0.059 0.000 1.175 119 A CA 1.835 53.831 52.037 -0.069 0.000 0.628 119 A CB -0.726 18.227 19.000 -0.078 0.000 0.814 119 A HN 0.454 nan 8.150 nan 0.000 0.444 120 A N -0.190 122.608 122.820 -0.037 0.000 1.898 120 A HA -0.131 4.194 4.320 0.008 0.000 0.216 120 A C 2.107 179.691 177.584 -0.000 0.000 1.181 120 A CA 1.758 53.781 52.037 -0.023 0.000 0.620 120 A CB -0.414 18.576 19.000 -0.017 0.000 0.819 120 A HN 0.518 nan 8.150 nan 0.000 0.442 121 K N -0.100 120.300 120.400 -0.001 0.000 2.057 121 K HA -0.141 4.183 4.320 0.008 0.000 0.207 121 K C 2.073 178.680 176.600 0.012 0.000 1.049 121 K CA 1.656 57.950 56.287 0.012 0.000 0.931 121 K CB -0.162 32.339 32.500 0.001 0.000 0.714 121 K HN 0.413 nan 8.250 nan 0.000 0.440 122 K N 0.283 120.676 120.400 -0.011 0.000 2.063 122 K HA -0.146 4.179 4.320 0.008 0.000 0.208 122 K C 2.181 178.780 176.600 -0.002 0.000 1.048 122 K CA 1.355 57.631 56.287 -0.018 0.000 0.928 122 K CB -0.141 32.328 32.500 -0.052 0.000 0.713 122 K HN 0.142 nan 8.250 nan 0.000 0.442 123 A N 1.327 124.144 122.820 -0.005 0.000 1.898 123 A HA -0.115 4.210 4.320 0.008 0.000 0.216 123 A C 2.077 179.729 177.584 0.112 0.000 1.181 123 A CA 1.153 53.198 52.037 0.014 0.000 0.620 123 A CB -0.492 18.490 19.000 -0.031 0.000 0.819 123 A HN 0.171 nan 8.150 nan 0.000 0.442 124 I N -0.274 120.382 120.570 0.143 0.000 2.315 124 I HA -0.261 3.914 4.170 0.008 0.000 0.248 124 I C 2.939 179.163 176.117 0.180 0.000 1.117 124 I CA 0.898 62.363 61.300 0.275 0.000 1.404 124 I CB -0.330 37.799 38.000 0.215 0.000 1.071 124 I HN 0.372 nan 8.210 nan 0.000 0.419 125 A N 0.640 123.512 122.820 0.088 0.000 1.877 125 A HA -0.277 4.048 4.320 0.008 0.000 0.216 125 A C 2.330 179.944 177.584 0.050 0.000 1.186 125 A CA 2.050 54.111 52.037 0.040 0.000 0.620 125 A CB -0.654 18.356 19.000 0.016 0.000 0.822 125 A HN 0.526 nan 8.150 nan 0.000 0.443 126 E N -1.578 118.666 120.200 0.073 0.000 2.072 126 E HA -0.246 4.109 4.350 0.008 0.000 0.191 126 E C 1.811 178.495 176.600 0.141 0.000 0.985 126 E CA 1.397 57.842 56.400 0.074 0.000 0.801 126 E CB -0.359 29.373 29.700 0.055 0.000 0.750 126 E HN 0.715 nan 8.360 nan 0.000 0.452 127 W N 0.891 122.174 121.300 -0.030 0.000 2.315 127 W HA -0.154 4.514 4.660 0.013 0.000 0.323 127 W C 1.588 178.092 176.519 -0.025 0.000 1.233 127 W CA 3.129 60.458 57.345 -0.026 0.000 1.267 127 W CB -0.664 28.783 29.460 -0.022 0.000 1.160 127 W HN 0.336 nan 8.180 nan 0.000 0.474 128 G N -0.291 108.422 108.800 -0.144 0.000 2.192 128 G HA2 -0.199 3.766 3.960 0.008 0.000 0.193 128 G HA3 -0.199 3.766 3.960 0.008 0.000 0.193 128 G C 0.376 174.962 174.900 -0.522 0.000 0.999 128 G CA -0.078 44.845 45.100 -0.295 0.000 0.659 128 G HN 0.410 nan 8.290 nan 0.000 0.503 129 R N 0.425 120.335 120.500 -0.983 0.000 2.803 129 R HA 0.576 4.921 4.340 0.008 0.000 0.276 129 R C -2.782 173.118 176.300 -0.666 0.000 0.978 129 R CA -2.024 53.493 56.100 -0.971 0.000 0.939 129 R CB 1.694 31.108 30.300 -1.477 0.000 1.179 129 R HN 0.019 nan 8.270 nan 0.000 0.472 130 P HA 0.007 nan 4.420 nan 0.000 0.268 130 P C 0.011 177.291 177.300 -0.032 0.000 1.205 130 P CA 0.147 63.157 63.100 -0.150 0.000 0.771 130 P CB 0.820 32.454 31.700 -0.110 0.000 0.858 131 A N 3.702 126.549 122.820 0.045 0.000 1.997 131 A HA -0.257 4.068 4.320 0.008 0.000 0.221 131 A C 2.056 179.702 177.584 0.104 0.000 1.172 131 A CA 2.281 54.388 52.037 0.116 0.000 0.645 131 A CB -1.626 17.409 19.000 0.059 0.000 0.813 131 A HN 0.583 nan 8.150 nan 0.000 0.454 132 A N -0.819 122.028 122.820 0.045 0.000 2.172 132 A HA -0.043 4.282 4.320 0.008 0.000 0.216 132 A C 1.388 179.007 177.584 0.058 0.000 1.154 132 A CA 1.579 53.636 52.037 0.033 0.000 0.701 132 A CB -0.407 18.594 19.000 0.001 0.000 0.789 132 A HN 0.440 nan 8.150 nan 0.000 0.465 133 D N -0.503 119.958 120.400 0.101 0.000 2.349 133 D HA 0.153 4.798 4.640 0.008 0.000 0.215 133 D C 0.277 176.741 176.300 0.274 0.000 1.016 133 D CA 0.170 54.262 54.000 0.153 0.000 0.870 133 D CB -0.028 40.821 40.800 0.081 0.000 0.917 133 D HN 0.459 nan 8.370 nan 0.000 0.524 134 I N 1.017 121.740 120.570 0.254 0.000 2.496 134 I HA 0.007 4.182 4.170 0.008 0.000 0.285 134 I C 1.745 177.910 176.117 0.079 0.000 1.080 134 I CA 0.106 61.509 61.300 0.171 0.000 1.404 134 I CB 1.493 39.563 38.000 0.117 0.000 1.403 134 I HN -0.056 nan 8.210 nan 0.000 0.539 135 T N 1.093 115.689 114.554 0.070 0.000 3.023 135 T HA 0.148 4.503 4.350 0.008 0.000 0.249 135 T C 0.395 174.936 174.700 -0.265 0.000 1.050 135 T CA 0.299 62.365 62.100 -0.056 0.000 1.088 135 T CB 0.006 68.874 68.868 0.001 0.000 0.946 135 T HN 0.559 nan 8.240 nan 0.000 0.480 136 H N -0.154 118.909 119.070 -0.011 0.000 2.768 136 H HA 0.716 5.277 4.556 0.007 0.000 0.371 136 H C -1.326 173.983 175.328 -0.032 0.000 1.151 136 H CA -0.937 55.099 56.048 -0.018 0.000 1.165 136 H CB 1.997 31.744 29.762 -0.024 0.000 1.722 136 H HN 0.119 nan 8.280 nan 0.000 0.543 137 L N 3.122 124.397 121.223 0.087 0.000 2.376 137 L HA 0.573 4.918 4.340 0.008 0.000 0.275 137 L C -1.388 175.497 176.870 0.025 0.000 0.987 137 L CA -0.953 53.906 54.840 0.031 0.000 0.828 137 L CB 1.170 43.234 42.059 0.009 0.000 1.249 137 L HN 0.452 nan 8.230 nan 0.000 0.409 138 V N 5.920 125.836 119.914 0.002 0.000 2.376 138 V HA 0.422 4.547 4.120 0.008 0.000 0.287 138 V C -0.191 175.887 176.094 -0.027 0.000 1.015 138 V CA -0.497 61.797 62.300 -0.011 0.000 0.834 138 V CB 1.978 33.791 31.823 -0.017 0.000 1.001 138 V HN 0.473 nan 8.190 nan 0.000 0.428 139 V N 3.860 123.753 119.914 -0.034 0.000 2.555 139 V HA 0.704 4.829 4.120 0.008 0.000 0.302 139 V C 0.051 176.110 176.094 -0.057 0.000 1.038 139 V CA -0.251 62.024 62.300 -0.042 0.000 0.887 139 V CB 2.222 34.021 31.823 -0.039 0.000 0.991 139 V HN 0.858 nan 8.190 nan 0.000 0.434 140 T N 2.668 117.193 114.554 -0.049 0.000 2.916 140 T HA 0.704 5.059 4.350 0.008 0.000 0.298 140 T C -0.955 173.726 174.700 -0.032 0.000 1.031 140 T CA -0.201 61.867 62.100 -0.054 0.000 0.993 140 T CB 1.593 70.419 68.868 -0.070 0.000 1.045 140 T HN 0.981 nan 8.240 nan 0.000 0.454 141 T N 2.942 117.493 114.554 -0.005 0.000 2.977 141 T HA 0.340 4.695 4.350 0.008 0.000 0.345 141 T C -0.152 174.588 174.700 0.066 0.000 1.562 141 T CA -0.643 61.471 62.100 0.024 0.000 1.090 141 T CB 1.054 69.953 68.868 0.051 0.000 1.383 141 T HN 0.523 nan 8.240 nan 0.000 0.484 142 N N 1.201 119.921 118.700 0.034 0.000 2.392 142 N HA 0.069 4.813 4.740 0.008 0.000 0.177 142 N C 0.591 176.177 175.510 0.127 0.000 1.066 142 N CA 0.241 53.314 53.050 0.038 0.000 0.895 142 N CB 0.329 38.805 38.487 -0.018 0.000 0.988 142 N HN 0.492 nan 8.380 nan 0.000 0.457 143 S N 0.753 116.501 115.700 0.081 0.000 3.811 143 S HA 0.508 4.983 4.470 0.008 0.000 0.205 143 S C 0.705 175.376 174.600 0.118 0.000 1.445 143 S CA -0.562 57.674 58.200 0.061 0.000 1.097 143 S CB 0.036 63.236 63.200 0.001 0.000 1.350 143 S HN 0.414 nan 8.310 nan 0.000 0.471 144 G N -0.200 108.712 108.800 0.187 0.000 2.368 144 G HA2 0.624 4.589 3.960 0.008 0.000 0.293 144 G HA3 0.624 4.589 3.960 0.008 0.000 0.293 144 G C -1.549 173.300 174.900 -0.085 0.000 1.467 144 G CA -0.142 45.074 45.100 0.193 0.000 0.804 144 G HN 0.759 nan 8.290 nan 0.000 0.535 145 A N 0.760 123.394 122.820 -0.310 0.000 2.188 145 A HA 0.605 4.930 4.320 0.008 0.000 0.243 145 A C -0.933 176.199 177.584 -0.753 0.000 1.509 145 A CA -0.309 51.244 52.037 -0.807 0.000 1.574 145 A CB -0.567 17.987 19.000 -0.744 0.000 1.049 145 A HN 1.257 nan 8.150 nan 0.000 0.850 146 H N -1.290 117.696 119.070 -0.140 0.000 2.961 146 H HA 0.754 5.314 4.556 0.007 0.000 0.371 146 H C -0.768 174.639 175.328 0.131 0.000 1.190 146 H CA -0.879 55.181 56.048 0.021 0.000 1.138 146 H CB 2.248 32.033 29.762 0.038 0.000 1.816 146 H HN 0.366 nan 8.280 nan 0.000 0.551 147 V N 2.601 122.614 119.914 0.165 0.000 2.532 147 V HA 0.320 4.445 4.120 0.008 0.000 0.294 147 V C -2.038 174.054 176.094 -0.003 0.000 1.036 147 V CA -1.346 61.002 62.300 0.080 0.000 0.876 147 V CB 1.281 33.130 31.823 0.043 0.000 1.012 147 V HN 0.773 nan 8.190 nan 0.000 0.432 148 P HA 0.388 nan 4.420 nan 0.000 0.271 148 P C 0.298 177.661 177.300 0.106 0.000 1.216 148 P CA 0.239 63.275 63.100 -0.107 0.000 0.776 148 P CB 1.482 32.840 31.700 -0.569 0.000 0.881 149 G N 0.481 109.374 108.800 0.156 0.000 2.510 149 G HA2 0.263 4.228 3.960 0.008 0.000 0.280 149 G HA3 0.263 4.228 3.960 0.008 0.000 0.280 149 G C 1.035 176.034 174.900 0.164 0.000 1.386 149 G CA -0.561 44.657 45.100 0.197 0.000 1.047 149 G HN 0.260 nan 8.290 nan 0.000 0.527 150 V N 1.513 121.492 119.914 0.108 0.000 2.332 150 V HA -0.200 3.925 4.120 0.008 0.000 0.248 150 V C 2.830 178.953 176.094 0.049 0.000 1.055 150 V CA 2.527 64.864 62.300 0.061 0.000 1.038 150 V CB -0.702 31.141 31.823 0.033 0.000 0.651 150 V HN 0.891 nan 8.190 nan 0.000 0.450 151 D N 0.022 120.446 120.400 0.041 0.000 2.133 151 D HA -0.315 4.330 4.640 0.008 0.000 0.195 151 D C 2.087 178.428 176.300 0.068 0.000 0.997 151 D CA 1.872 55.893 54.000 0.035 0.000 0.840 151 D CB -0.577 40.238 40.800 0.026 0.000 0.947 151 D HN 0.458 nan 8.370 nan 0.000 0.452 152 F N 2.054 121.997 119.950 -0.013 0.000 2.113 152 F HA 0.003 4.533 4.527 0.006 0.000 0.297 152 F C 2.475 178.270 175.800 -0.007 0.000 1.103 152 F CA 1.226 59.222 58.000 -0.006 0.000 1.248 152 F CB -0.067 38.935 39.000 0.003 0.000 0.999 152 F HN -0.219 nan 8.300 nan 0.000 0.475 153 R N 0.429 120.927 120.500 -0.004 0.000 2.285 153 R HA -0.066 4.279 4.340 0.008 0.000 0.213 153 R C 2.062 178.276 176.300 -0.143 0.000 1.068 153 R CA 0.918 56.955 56.100 -0.105 0.000 1.004 153 R CB -0.705 29.612 30.300 0.029 0.000 0.873 153 R HN 0.406 nan 8.270 nan 0.000 0.467 154 L N 0.288 121.442 121.223 -0.114 0.000 2.395 154 L HA -0.062 4.283 4.340 0.008 0.000 0.218 154 L C 2.202 178.997 176.870 -0.125 0.000 1.130 154 L CA 0.299 55.084 54.840 -0.091 0.000 0.826 154 L CB -0.127 41.900 42.059 -0.053 0.000 0.941 154 L HN -0.064 nan 8.230 nan 0.000 0.451 155 V N 0.999 120.788 119.914 -0.208 0.000 2.261 155 V HA -0.161 3.964 4.120 0.008 0.000 0.246 155 V C -0.105 175.880 176.094 -0.181 0.000 1.047 155 V CA 2.128 64.303 62.300 -0.208 0.000 1.015 155 V CB -1.632 30.002 31.823 -0.315 0.000 0.642 155 V HN 0.388 nan 8.190 nan 0.000 0.446 156 P HA -0.075 nan 4.420 nan 0.000 0.218 156 P C 1.948 179.191 177.300 -0.095 0.000 1.152 156 P CA 1.268 64.279 63.100 -0.148 0.000 0.826 156 P CB 0.031 31.634 31.700 -0.161 0.000 0.790 157 L N -1.115 120.052 121.223 -0.093 0.000 2.191 157 L HA -0.085 4.260 4.340 0.008 0.000 0.212 157 L C 2.559 179.402 176.870 -0.044 0.000 1.103 157 L CA 1.224 56.030 54.840 -0.058 0.000 0.769 157 L CB -0.515 41.513 42.059 -0.052 0.000 0.908 157 L HN -0.055 nan 8.230 nan 0.000 0.438 158 L N -1.601 119.593 121.223 -0.048 0.000 2.537 158 L HA 0.259 4.604 4.340 0.008 0.000 0.224 158 L C 1.193 178.049 176.870 -0.024 0.000 1.065 158 L CA 0.580 55.404 54.840 -0.027 0.000 0.860 158 L CB 0.113 42.161 42.059 -0.018 0.000 1.086 158 L HN 0.370 nan 8.230 nan 0.000 0.482 159 G N 1.464 110.239 108.800 -0.040 0.000 2.207 159 G HA2 -0.203 3.762 3.960 0.008 0.000 0.216 159 G HA3 -0.203 3.762 3.960 0.008 0.000 0.216 159 G C -0.128 174.756 174.900 -0.026 0.000 1.053 159 G CA -0.396 44.684 45.100 -0.034 0.000 0.764 159 G HN 0.115 nan 8.290 nan 0.000 0.495 160 L N 0.254 121.455 121.223 -0.037 0.000 2.436 160 L HA 0.525 4.870 4.340 0.008 0.000 0.265 160 L C 1.341 178.191 176.870 -0.033 0.000 1.168 160 L CA -1.055 53.770 54.840 -0.025 0.000 0.815 160 L CB 0.434 42.472 42.059 -0.034 0.000 1.109 160 L HN 0.069 nan 8.230 nan 0.000 0.462 161 R N 2.088 122.577 120.500 -0.019 0.000 2.643 161 R HA 0.091 4.436 4.340 0.008 0.000 0.270 161 R C -1.563 174.721 176.300 -0.027 0.000 1.061 161 R CA -1.741 54.347 56.100 -0.021 0.000 1.107 161 R CB 0.117 30.409 30.300 -0.013 0.000 0.999 161 R HN 0.336 nan 8.270 nan 0.000 0.460 162 P HA -0.111 nan 4.420 nan 0.000 0.219 162 P C 0.632 177.933 177.300 0.001 0.000 1.146 162 P CA 1.284 64.379 63.100 -0.008 0.000 0.808 162 P CB 0.232 31.935 31.700 0.004 0.000 0.779 163 S N -1.868 113.825 115.700 -0.012 0.000 2.605 163 S HA 0.086 4.561 4.470 0.008 0.000 0.217 163 S C 0.721 175.292 174.600 -0.049 0.000 0.958 163 S CA -0.451 57.737 58.200 -0.021 0.000 0.919 163 S CB -1.146 62.040 63.200 -0.022 0.000 0.780 163 S HN -0.014 nan 8.310 nan 0.000 0.507 164 V N 3.079 122.964 119.914 -0.048 0.000 2.617 164 V HA 0.104 4.229 4.120 0.008 0.000 0.304 164 V C 0.197 176.242 176.094 -0.081 0.000 1.040 164 V CA -0.056 62.199 62.300 -0.076 0.000 1.149 164 V CB 0.022 31.820 31.823 -0.042 0.000 0.914 164 V HN 0.483 nan 8.190 nan 0.000 0.487 165 R N 6.858 127.260 120.500 -0.163 0.000 2.220 165 R HA 0.391 4.736 4.340 0.008 0.000 0.340 165 R C -0.214 176.083 176.300 -0.005 0.000 1.076 165 R CA -0.208 55.829 56.100 -0.104 0.000 0.920 165 R CB 0.553 30.732 30.300 -0.203 0.000 1.062 165 R HN 0.685 nan 8.270 nan 0.000 0.469 166 R N 1.370 121.882 120.500 0.020 0.000 2.428 166 R HA 0.342 4.687 4.340 0.008 0.000 0.294 166 R C -0.380 175.941 176.300 0.034 0.000 1.000 166 R CA -0.415 55.706 56.100 0.035 0.000 0.960 166 R CB 1.815 32.141 30.300 0.043 0.000 1.076 166 R HN 0.350 nan 8.270 nan 0.000 0.475 167 T N 2.672 117.240 114.554 0.023 0.000 2.841 167 T HA 0.337 4.692 4.350 0.008 0.000 0.285 167 T C -1.017 173.669 174.700 -0.024 0.000 0.991 167 T CA -0.629 61.475 62.100 0.007 0.000 0.966 167 T CB 1.335 70.210 68.868 0.011 0.000 0.962 167 T HN 0.300 nan 8.240 nan 0.000 0.438 168 M N 4.824 124.393 119.600 -0.052 0.000 2.125 168 M HA 0.510 4.995 4.480 0.008 0.000 0.321 168 M C -1.709 174.496 176.300 -0.158 0.000 0.983 168 M CA -0.881 54.340 55.300 -0.131 0.000 0.934 168 M CB 0.440 32.930 32.600 -0.184 0.000 1.542 168 M HN 0.462 nan 8.290 nan 0.000 0.424 169 L N 5.966 127.101 121.223 -0.146 0.000 2.297 169 L HA 0.384 4.729 4.340 0.008 0.000 0.277 169 L C -0.664 176.163 176.870 -0.072 0.000 1.040 169 L CA -0.503 54.283 54.840 -0.090 0.000 0.867 169 L CB 0.006 42.029 42.059 -0.059 0.000 1.244 169 L HN 0.734 nan 8.230 nan 0.000 0.433 170 H N 3.751 122.830 119.070 0.016 0.000 2.620 170 H HA 0.250 4.812 4.556 0.009 0.000 0.313 170 H C -0.047 175.268 175.328 -0.021 0.000 1.075 170 H CA -0.702 55.368 56.048 0.036 0.000 1.397 170 H CB 1.268 31.085 29.762 0.092 0.000 1.446 170 H HN 0.437 nan 8.280 nan 0.000 0.493 171 L N 3.652 124.920 121.223 0.076 0.000 3.521 171 L HA -0.299 4.046 4.340 0.008 0.000 0.653 171 L C -0.672 176.112 176.870 -0.142 0.000 1.077 171 L CA 0.854 55.635 54.840 -0.099 0.000 1.144 171 L CB -0.734 41.172 42.059 -0.255 0.000 1.447 171 L HN 0.889 nan 8.230 nan 0.000 0.811 172 N N 1.254 119.825 118.700 -0.215 0.000 2.159 172 N HA 0.463 5.208 4.740 0.008 0.000 0.217 172 N C 0.961 176.076 175.510 -0.658 0.000 1.223 172 N CA 0.057 52.876 53.050 -0.385 0.000 0.896 172 N CB 0.594 38.856 38.487 -0.374 0.000 1.064 172 N HN 0.981 nan 8.380 nan 0.000 0.518 173 G N 0.742 109.303 108.800 -0.398 0.000 2.542 173 G HA2 -0.315 3.650 3.960 0.008 0.000 0.235 173 G HA3 -0.315 3.650 3.960 0.008 0.000 0.235 173 G C 0.647 175.323 174.900 -0.373 0.000 1.286 173 G CA -0.183 44.716 45.100 -0.334 0.000 0.904 173 G HN 0.266 nan 8.290 nan 0.000 0.577 174 C N 0.544 119.683 119.300 -0.269 0.000 2.456 174 C HA 0.192 4.657 4.460 0.008 0.000 0.279 174 C C 2.275 177.057 174.990 -0.347 0.000 1.427 174 C CA 1.666 60.492 59.018 -0.320 0.000 1.778 174 C CB -2.023 25.604 27.740 -0.187 0.000 1.842 174 C HN 0.603 nan 8.230 nan 0.000 0.531 175 F N -0.235 119.601 119.950 -0.189 0.000 2.693 175 F HA 0.558 5.084 4.527 -0.001 0.000 0.303 175 F C 1.736 177.461 175.800 -0.125 0.000 1.097 175 F CA 0.114 58.014 58.000 -0.167 0.000 1.330 175 F CB -0.993 37.945 39.000 -0.102 0.000 1.067 175 F HN -0.018 nan 8.300 nan 0.000 0.565 176 A N 1.764 124.347 122.820 -0.395 0.000 1.892 176 A HA -0.026 4.299 4.320 0.008 0.000 0.218 176 A C 2.507 180.028 177.584 -0.105 0.000 1.188 176 A CA 2.037 53.910 52.037 -0.274 0.000 0.631 176 A CB -1.574 17.261 19.000 -0.274 0.000 0.822 176 A HN 0.528 nan 8.150 nan 0.000 0.447 177 G N -0.947 107.799 108.800 -0.091 0.000 2.459 177 G HA2 -0.307 3.658 3.960 0.008 0.000 0.217 177 G HA3 -0.307 3.658 3.960 0.008 0.000 0.217 177 G C 1.641 176.528 174.900 -0.021 0.000 1.183 177 G CA 1.347 46.419 45.100 -0.047 0.000 0.776 177 G HN 0.532 nan 8.290 nan 0.000 0.552 178 C N 0.894 120.192 119.300 -0.004 0.000 2.429 178 C HA 0.142 4.607 4.460 0.008 0.000 0.277 178 C C 3.571 178.586 174.990 0.042 0.000 1.262 178 C CA 0.922 59.949 59.018 0.015 0.000 1.733 178 C CB -1.031 26.719 27.740 0.017 0.000 2.010 178 C HN 0.586 nan 8.230 nan 0.000 0.483 179 A N 0.507 123.383 122.820 0.095 0.000 1.908 179 A HA -0.004 4.321 4.320 0.008 0.000 0.218 179 A C 2.362 179.971 177.584 0.041 0.000 1.181 179 A CA 2.247 54.352 52.037 0.112 0.000 0.627 179 A CB -0.925 18.203 19.000 0.214 0.000 0.818 179 A HN 0.596 nan 8.150 nan 0.000 0.445 180 A N -0.373 122.451 122.820 0.008 0.000 1.902 180 A HA -0.033 4.292 4.320 0.008 0.000 0.217 180 A C 2.114 179.687 177.584 -0.019 0.000 1.181 180 A CA 1.482 53.510 52.037 -0.014 0.000 0.623 180 A CB -0.606 18.375 19.000 -0.032 0.000 0.818 180 A HN 0.472 nan 8.150 nan 0.000 0.443 181 L N -1.055 120.157 121.223 -0.019 0.000 2.275 181 L HA -0.118 4.227 4.340 0.008 0.000 0.215 181 L C 2.668 179.527 176.870 -0.018 0.000 1.119 181 L CA 1.288 56.112 54.840 -0.027 0.000 0.790 181 L CB -0.348 41.694 42.059 -0.030 0.000 0.919 181 L HN 0.496 nan 8.230 nan 0.000 0.443 182 R N 0.618 121.117 120.500 -0.002 0.000 2.090 182 R HA -0.110 4.234 4.340 0.008 0.000 0.228 182 R C 2.195 178.489 176.300 -0.010 0.000 1.110 182 R CA 1.131 57.233 56.100 0.004 0.000 0.973 182 R CB -0.078 30.233 30.300 0.018 0.000 0.869 182 R HN 0.296 nan 8.270 nan 0.000 0.440 183 L N 0.214 121.428 121.223 -0.015 0.000 2.109 183 L HA 0.012 4.357 4.340 0.008 0.000 0.207 183 L C 2.711 179.547 176.870 -0.057 0.000 1.086 183 L CA 0.976 55.799 54.840 -0.027 0.000 0.760 183 L CB -0.583 41.465 42.059 -0.019 0.000 0.910 183 L HN 0.292 nan 8.230 nan 0.000 0.437 184 A N 0.662 123.446 122.820 -0.061 0.000 1.908 184 A HA -0.288 4.037 4.320 0.008 0.000 0.218 184 A C 2.419 179.945 177.584 -0.097 0.000 1.181 184 A CA 2.191 54.174 52.037 -0.091 0.000 0.627 184 A CB -0.546 18.406 19.000 -0.080 0.000 0.818 184 A HN 0.375 nan 8.150 nan 0.000 0.445 185 K N -0.555 119.807 120.400 -0.063 0.000 2.044 185 K HA -0.268 4.057 4.320 0.008 0.000 0.210 185 K C 1.263 177.828 176.600 -0.059 0.000 1.049 185 K CA 2.122 58.379 56.287 -0.049 0.000 0.927 185 K CB -0.317 32.170 32.500 -0.022 0.000 0.713 185 K HN 0.392 nan 8.250 nan 0.000 0.443 186 D N 0.572 120.937 120.400 -0.058 0.000 2.183 186 D HA -0.072 4.573 4.640 0.008 0.000 0.203 186 D C 1.998 178.237 176.300 -0.102 0.000 0.969 186 D CA 0.732 54.697 54.000 -0.058 0.000 0.842 186 D CB -0.042 40.734 40.800 -0.039 0.000 0.957 186 D HN 0.242 nan 8.370 nan 0.000 0.484 187 L N 0.476 121.602 121.223 -0.162 0.000 2.056 187 L HA -0.105 4.240 4.340 0.008 0.000 0.207 187 L C 2.410 179.083 176.870 -0.329 0.000 1.078 187 L CA 1.172 55.818 54.840 -0.325 0.000 0.749 187 L CB -0.337 41.444 42.059 -0.464 0.000 0.901 187 L HN -0.005 nan 8.230 nan 0.000 0.433 188 A N -0.343 122.349 122.820 -0.214 0.000 1.929 188 A HA -0.160 4.165 4.320 0.008 0.000 0.216 188 A C 2.134 179.674 177.584 -0.073 0.000 1.176 188 A CA 1.229 53.185 52.037 -0.134 0.000 0.628 188 A CB -0.305 18.634 19.000 -0.102 0.000 0.816 188 A HN 0.408 nan 8.150 nan 0.000 0.444 189 E N -0.622 119.541 120.200 -0.062 0.000 2.208 189 E HA -0.122 4.233 4.350 0.008 0.000 0.193 189 E C 1.130 177.717 176.600 -0.023 0.000 0.988 189 E CA 0.849 57.229 56.400 -0.032 0.000 0.828 189 E CB -0.085 29.600 29.700 -0.025 0.000 0.763 189 E HN 0.562 nan 8.360 nan 0.000 0.478 190 N N -0.085 118.596 118.700 -0.033 0.000 2.322 190 N HA 0.025 4.770 4.740 0.008 0.000 0.194 190 N C -1.202 174.312 175.510 0.006 0.000 1.126 190 N CA 0.067 53.109 53.050 -0.013 0.000 0.845 190 N CB 0.664 39.142 38.487 -0.015 0.000 0.976 190 N HN -0.178 nan 8.380 nan 0.000 0.475 191 S N -0.159 115.547 115.700 0.010 0.000 2.736 191 S HA 0.261 4.736 4.470 0.008 0.000 0.285 191 S C -0.635 173.991 174.600 0.042 0.000 1.163 191 S CA -0.804 57.422 58.200 0.043 0.000 1.025 191 S CB 1.976 65.234 63.200 0.098 0.000 1.030 191 S HN 0.241 nan 8.310 nan 0.000 0.486 192 R N 1.472 121.995 120.500 0.038 0.000 2.538 192 R HA 0.326 4.671 4.340 0.008 0.000 0.282 192 R C 1.412 177.742 176.300 0.050 0.000 1.009 192 R CA 1.868 57.989 56.100 0.036 0.000 1.063 192 R CB -0.248 30.070 30.300 0.030 0.000 0.945 192 R HN 1.072 nan 8.270 nan 0.000 0.414 193 G N 2.198 111.029 108.800 0.052 0.000 2.245 193 G HA2 -0.370 3.595 3.960 0.008 0.000 0.264 193 G HA3 -0.370 3.595 3.960 0.008 0.000 0.264 193 G C 0.256 175.211 174.900 0.092 0.000 0.985 193 G CA 0.168 45.310 45.100 0.070 0.000 0.625 193 G HN 0.991 nan 8.290 nan 0.000 0.536 194 A N 0.324 123.199 122.820 0.090 0.000 2.565 194 A HA 0.514 4.839 4.320 0.008 0.000 0.237 194 A C 0.730 178.366 177.584 0.087 0.000 1.053 194 A CA 0.730 52.844 52.037 0.129 0.000 0.755 194 A CB 0.193 19.261 19.000 0.114 0.000 0.980 194 A HN 0.449 nan 8.150 nan 0.000 0.506 195 R N 1.770 122.337 120.500 0.113 0.000 2.483 195 R HA 0.444 4.789 4.340 0.008 0.000 0.303 195 R C -1.622 174.657 176.300 -0.035 0.000 0.987 195 R CA -0.545 55.549 56.100 -0.010 0.000 0.881 195 R CB 1.628 31.958 30.300 0.051 0.000 1.177 195 R HN 0.459 nan 8.270 nan 0.000 0.451 196 V N 4.656 124.493 119.914 -0.128 0.000 2.370 196 V HA 0.338 4.463 4.120 0.008 0.000 0.283 196 V C -0.088 175.909 176.094 -0.161 0.000 1.023 196 V CA -0.943 61.301 62.300 -0.093 0.000 0.857 196 V CB 1.639 33.400 31.823 -0.104 0.000 0.985 196 V HN 0.484 nan 8.190 nan 0.000 0.443 197 L N 7.250 128.406 121.223 -0.111 0.000 2.264 197 L HA 0.627 4.972 4.340 0.008 0.000 0.289 197 L C -0.346 176.478 176.870 -0.077 0.000 1.044 197 L CA 0.351 55.119 54.840 -0.120 0.000 0.807 197 L CB 1.385 43.396 42.059 -0.080 0.000 1.192 197 L HN 0.449 nan 8.230 nan 0.000 0.425 198 V N 5.856 125.718 119.914 -0.086 0.000 2.459 198 V HA 0.660 4.785 4.120 0.008 0.000 0.295 198 V C -0.488 175.571 176.094 -0.059 0.000 1.029 198 V CA -0.614 61.648 62.300 -0.064 0.000 0.874 198 V CB 1.819 33.602 31.823 -0.067 0.000 0.985 198 V HN 0.548 nan 8.190 nan 0.000 0.438 199 V N 3.210 123.097 119.914 -0.045 0.000 2.686 199 V HA 0.862 4.987 4.120 0.008 0.000 0.306 199 V C -0.113 175.964 176.094 -0.029 0.000 1.065 199 V CA -0.531 61.746 62.300 -0.038 0.000 0.894 199 V CB 1.856 33.659 31.823 -0.033 0.000 1.004 199 V HN 1.027 nan 8.190 nan 0.000 0.424 200 A N 3.385 126.194 122.820 -0.018 0.000 2.371 200 A HA 1.042 5.367 4.320 0.008 0.000 0.311 200 A C -0.362 177.232 177.584 0.016 0.000 1.068 200 A CA -0.147 51.884 52.037 -0.009 0.000 0.744 200 A CB 1.806 20.800 19.000 -0.010 0.000 1.239 200 A HN 1.745 nan 8.150 nan 0.000 0.435 201 A N 1.532 124.360 122.820 0.014 0.000 2.549 201 A HA 0.812 5.137 4.320 0.008 0.000 0.297 201 A C -1.024 176.573 177.584 0.023 0.000 1.061 201 A CA -0.386 51.668 52.037 0.029 0.000 0.690 201 A CB 1.670 20.680 19.000 0.018 0.000 1.287 201 A HN 0.979 nan 8.150 nan 0.000 0.402 202 E N 0.916 121.136 120.200 0.034 0.000 2.292 202 E HA 0.692 5.047 4.350 0.008 0.000 0.272 202 E C -1.997 174.641 176.600 0.063 0.000 0.881 202 E CA -0.361 56.062 56.400 0.038 0.000 0.754 202 E CB 1.585 31.306 29.700 0.036 0.000 1.201 202 E HN 0.544 nan 8.360 nan 0.000 0.425 203 L N 4.441 125.692 121.223 0.048 0.000 2.372 203 L HA 0.340 4.684 4.340 0.008 0.000 0.273 203 L C 0.862 177.777 176.870 0.074 0.000 0.989 203 L CA -0.513 54.373 54.840 0.076 0.000 0.841 203 L CB 1.912 43.978 42.059 0.011 0.000 1.225 203 L HN 0.883 nan 8.230 nan 0.000 0.414 204 T N -0.870 113.832 114.554 0.246 0.000 3.160 204 T HA -0.054 4.301 4.350 0.008 0.000 0.257 204 T C 1.462 176.268 174.700 0.176 0.000 1.147 204 T CA 0.198 62.515 62.100 0.361 0.000 1.064 204 T CB -0.278 68.955 68.868 0.608 0.000 0.949 204 T HN 0.529 nan 8.240 nan 0.000 0.526 205 L N -1.965 119.264 121.223 0.009 0.000 2.551 205 L HA 0.329 4.674 4.340 0.008 0.000 0.228 205 L C 2.027 178.716 176.870 -0.301 0.000 1.153 205 L CA 0.932 55.596 54.840 -0.293 0.000 0.851 205 L CB -1.074 40.822 42.059 -0.272 0.000 0.959 205 L HN 0.043 nan 8.230 nan 0.000 0.451 206 M N -0.847 118.592 119.600 -0.268 0.000 2.254 206 M HA -0.022 4.463 4.480 0.008 0.000 0.265 206 M C 1.685 177.848 176.300 -0.227 0.000 1.066 206 M CA 1.532 56.642 55.300 -0.317 0.000 1.123 206 M CB -0.900 31.454 32.600 -0.410 0.000 1.388 206 M HN 0.408 nan 8.290 nan 0.000 0.425 207 Y N -2.212 118.116 120.300 0.046 0.000 2.497 207 Y HA 0.193 4.747 4.550 0.007 0.000 0.265 207 Y C 0.694 176.597 175.900 0.006 0.000 1.111 207 Y CA -1.228 56.895 58.100 0.038 0.000 1.288 207 Y CB -0.527 37.967 38.460 0.056 0.000 1.082 207 Y HN -0.072 nan 8.280 nan 0.000 0.536 208 F N 1.975 121.919 119.950 -0.010 0.000 2.590 208 F HA 0.292 4.824 4.527 0.007 0.000 0.389 208 F C 0.566 176.357 175.800 -0.014 0.000 1.049 208 F CA 0.660 58.630 58.000 -0.051 0.000 1.199 208 F CB 0.348 39.210 39.000 -0.230 0.000 1.058 208 F HN -0.106 nan 8.300 nan 0.000 0.556 209 T N 3.641 117.992 114.554 -0.339 0.000 2.786 209 T HA 0.538 4.893 4.350 0.008 0.000 0.316 209 T C -0.219 174.283 174.700 -0.329 0.000 1.503 209 T CA -0.211 61.799 62.100 -0.149 0.000 1.019 209 T CB 0.696 69.537 68.868 -0.045 0.000 1.415 209 T HN 0.874 nan 8.240 nan 0.000 0.496 210 G N 2.573 111.249 108.800 -0.207 0.000 2.594 210 G HA2 0.527 4.492 3.960 0.008 0.000 0.243 210 G HA3 0.527 4.492 3.960 0.008 0.000 0.243 210 G C -2.382 172.365 174.900 -0.254 0.000 1.229 210 G CA -0.772 44.149 45.100 -0.298 0.000 0.843 210 G HN 0.629 nan 8.290 nan 0.000 0.578 211 P HA 0.250 nan 4.420 nan 0.000 0.276 211 P C -1.151 176.041 177.300 -0.180 0.000 1.252 211 P CA -0.263 62.695 63.100 -0.237 0.000 0.802 211 P CB 1.673 33.178 31.700 -0.324 0.000 1.035 212 D N 0.241 120.553 120.400 -0.148 0.000 2.855 212 D HA 0.057 4.702 4.640 0.008 0.000 0.241 212 D C 1.005 177.220 176.300 -0.142 0.000 1.277 212 D CA -0.385 53.541 54.000 -0.123 0.000 0.918 212 D CB 1.025 41.762 40.800 -0.104 0.000 1.462 212 D HN 0.138 nan 8.370 nan 0.000 0.559 213 E N 2.118 122.248 120.200 -0.117 0.000 2.395 213 E HA -0.214 4.141 4.350 0.008 0.000 0.214 213 E C 1.224 177.693 176.600 -0.217 0.000 1.076 213 E CA 1.605 57.926 56.400 -0.131 0.000 0.855 213 E CB 0.101 29.752 29.700 -0.082 0.000 0.745 213 E HN 0.625 nan 8.360 nan 0.000 0.485 214 G N -1.283 107.383 108.800 -0.225 0.000 3.104 214 G HA2 0.021 3.986 3.960 0.008 0.000 0.237 214 G HA3 0.021 3.986 3.960 0.008 0.000 0.237 214 G C 0.268 174.959 174.900 -0.349 0.000 1.035 214 G CA -0.215 44.709 45.100 -0.293 0.000 0.844 214 G HN 0.142 nan 8.290 nan 0.000 0.531 215 C N 2.179 121.315 119.300 -0.273 0.000 2.158 215 C HA 0.410 4.875 4.460 0.008 0.000 0.350 215 C C 1.313 176.198 174.990 -0.175 0.000 1.064 215 C CA -0.741 58.176 59.018 -0.168 0.000 1.507 215 C CB -1.921 25.757 27.740 -0.104 0.000 1.934 215 C HN 0.390 nan 8.230 nan 0.000 0.479 216 F N 1.969 121.905 119.950 -0.024 0.000 2.216 216 F HA -0.124 4.408 4.527 0.008 0.000 0.300 216 F C 2.595 178.363 175.800 -0.054 0.000 1.085 216 F CA 1.328 59.316 58.000 -0.021 0.000 1.326 216 F CB -0.312 38.682 39.000 -0.009 0.000 1.027 216 F HN 0.555 nan 8.300 nan 0.000 0.497 217 R N -0.344 120.221 120.500 0.109 0.000 2.105 217 R HA -0.143 4.202 4.340 0.008 0.000 0.239 217 R C 1.727 177.958 176.300 -0.116 0.000 1.135 217 R CA 1.922 58.014 56.100 -0.012 0.000 0.967 217 R CB -1.858 28.425 30.300 -0.027 0.000 0.861 217 R HN 0.155 nan 8.270 nan 0.000 0.442 218 T N 1.552 116.033 114.554 -0.122 0.000 2.788 218 T HA -0.045 4.310 4.350 0.008 0.000 0.268 218 T C 1.718 176.252 174.700 -0.277 0.000 1.044 218 T CA 1.072 63.047 62.100 -0.208 0.000 1.139 218 T CB -0.093 68.664 68.868 -0.186 0.000 0.867 218 T HN 0.028 nan 8.240 nan 0.000 0.454 219 L N 0.350 121.475 121.223 -0.163 0.000 2.072 219 L HA 0.174 4.519 4.340 0.008 0.000 0.205 219 L C 2.317 179.198 176.870 0.018 0.000 1.079 219 L CA 1.155 55.936 54.840 -0.098 0.000 0.752 219 L CB -0.857 41.288 42.059 0.144 0.000 0.906 219 L HN 0.228 nan 8.230 nan 0.000 0.436 220 L N -1.594 119.621 121.223 -0.013 0.000 2.012 220 L HA -0.255 4.090 4.340 0.008 0.000 0.210 220 L C 2.466 179.208 176.870 -0.213 0.000 1.073 220 L CA 0.987 55.796 54.840 -0.050 0.000 0.748 220 L CB -0.491 41.535 42.059 -0.056 0.000 0.891 220 L HN 0.077 nan 8.230 nan 0.000 0.431 221 V N -0.806 118.849 119.914 -0.433 0.000 2.261 221 V HA -0.301 3.824 4.120 0.008 0.000 0.246 221 V C 2.493 178.297 176.094 -0.483 0.000 1.047 221 V CA 1.600 63.383 62.300 -0.861 0.000 1.015 221 V CB -0.535 30.783 31.823 -0.841 0.000 0.642 221 V HN 0.488 nan 8.190 nan 0.000 0.446 222 Q N 0.025 119.614 119.800 -0.351 0.000 2.297 222 Q HA -0.122 4.223 4.340 0.008 0.000 0.208 222 Q C 2.040 178.058 176.000 0.029 0.000 0.981 222 Q CA 1.685 57.321 55.803 -0.279 0.000 0.876 222 Q CB -0.528 27.694 28.738 -0.861 0.000 0.921 222 Q HN 0.706 nan 8.270 nan 0.000 0.446 223 G N -1.474 107.393 108.800 0.112 0.000 3.159 223 G HA2 0.215 4.180 3.960 0.008 0.000 0.232 223 G HA3 0.215 4.180 3.960 0.008 0.000 0.232 223 G C 0.994 175.943 174.900 0.081 0.000 1.116 223 G CA -0.102 45.090 45.100 0.153 0.000 0.767 223 G HN 0.208 nan 8.290 nan 0.000 0.547 224 L N -0.792 120.482 121.223 0.085 0.000 2.694 224 L HA 0.560 4.905 4.340 0.008 0.000 0.228 224 L C -0.052 177.058 176.870 0.400 0.000 1.048 224 L CA 0.095 55.050 54.840 0.192 0.000 0.887 224 L CB 0.229 42.407 42.059 0.198 0.000 1.265 224 L HN -0.049 nan 8.230 nan 0.000 0.492 225 F N 0.009 119.992 119.950 0.055 0.000 2.382 225 F HA 0.617 5.150 4.527 0.009 0.000 0.331 225 F C 1.000 176.878 175.800 0.130 0.000 1.121 225 F CA -1.087 56.970 58.000 0.094 0.000 1.183 225 F CB 0.324 39.393 39.000 0.114 0.000 1.207 225 F HN -0.011 nan 8.300 nan 0.000 0.555 226 G N 0.743 109.724 108.800 0.302 0.000 2.695 226 G HA2 0.481 4.446 3.960 0.008 0.000 0.290 226 G HA3 0.481 4.446 3.960 0.008 0.000 0.290 226 G C -1.928 173.092 174.900 0.200 0.000 1.410 226 G CA -0.804 44.435 45.100 0.232 0.000 0.844 226 G HN 0.351 nan 8.290 nan 0.000 0.478 227 D N -0.667 119.859 120.400 0.210 0.000 2.193 227 D HA 0.705 5.350 4.640 0.008 0.000 0.249 227 D C 0.538 176.915 176.300 0.129 0.000 1.034 227 D CA 0.563 54.670 54.000 0.178 0.000 0.902 227 D CB 1.769 42.694 40.800 0.208 0.000 1.182 227 D HN 0.842 nan 8.370 nan 0.000 0.436 228 G N -0.973 107.880 108.800 0.088 0.000 2.338 228 G HA2 0.622 4.587 3.960 0.008 0.000 0.295 228 G HA3 0.622 4.587 3.960 0.008 0.000 0.295 228 G C -1.986 172.998 174.900 0.141 0.000 1.461 228 G CA -0.347 44.816 45.100 0.106 0.000 0.817 228 G HN 0.578 nan 8.290 nan 0.000 0.556 229 A N -1.003 121.948 122.820 0.217 0.000 2.455 229 A HA 1.045 5.370 4.320 0.008 0.000 0.300 229 A C -0.244 177.409 177.584 0.116 0.000 1.040 229 A CA 0.227 52.343 52.037 0.132 0.000 0.697 229 A CB 1.560 20.588 19.000 0.046 0.000 1.265 229 A HN 2.463 nan 8.150 nan 0.000 0.407 230 A N 0.731 123.585 122.820 0.056 0.000 2.386 230 A HA 0.958 5.283 4.320 0.008 0.000 0.311 230 A C -0.184 177.345 177.584 -0.092 0.000 1.068 230 A CA 0.003 51.981 52.037 -0.100 0.000 0.743 230 A CB 1.459 20.447 19.000 -0.019 0.000 1.258 230 A HN 2.474 nan 8.150 nan 0.000 0.429 231 A N 0.961 123.700 122.820 -0.136 0.000 2.435 231 A HA 0.803 5.128 4.320 0.008 0.000 0.304 231 A C -1.102 176.418 177.584 -0.108 0.000 1.064 231 A CA -0.533 51.444 52.037 -0.101 0.000 0.727 231 A CB 1.542 20.491 19.000 -0.086 0.000 1.284 231 A HN 1.494 nan 8.150 nan 0.000 0.415 232 V N 2.735 122.588 119.914 -0.103 0.000 2.808 232 V HA 0.434 4.558 4.120 0.008 0.000 0.308 232 V C -1.021 174.975 176.094 -0.164 0.000 1.099 232 V CA -0.554 61.677 62.300 -0.116 0.000 0.920 232 V CB 1.906 33.671 31.823 -0.097 0.000 1.014 232 V HN 0.754 nan 8.190 nan 0.000 0.425 233 I N 4.167 124.602 120.570 -0.225 0.000 2.339 233 I HA 0.549 4.724 4.170 0.008 0.000 0.290 233 I C -0.271 175.650 176.117 -0.327 0.000 0.994 233 I CA -0.438 60.623 61.300 -0.399 0.000 1.191 233 I CB 1.697 39.257 38.000 -0.732 0.000 1.343 233 I HN 0.313 nan 8.210 nan 0.000 0.458 234 V N 5.050 124.792 119.914 -0.286 0.000 2.604 234 V HA 0.960 5.085 4.120 0.008 0.000 0.305 234 V C 0.288 176.269 176.094 -0.189 0.000 1.043 234 V CA -0.477 61.709 62.300 -0.191 0.000 0.888 234 V CB 1.926 33.672 31.823 -0.128 0.000 0.995 234 V HN 0.964 nan 8.190 nan 0.000 0.429 235 G N 2.033 110.756 108.800 -0.127 0.000 2.667 235 G HA2 0.756 4.721 3.960 0.008 0.000 0.294 235 G HA3 0.756 4.721 3.960 0.008 0.000 0.294 235 G C -1.169 173.712 174.900 -0.032 0.000 1.467 235 G CA 0.032 45.086 45.100 -0.077 0.000 0.852 235 G HN 1.052 nan 8.290 nan 0.000 0.521 236 A N 0.353 123.166 122.820 -0.012 0.000 2.288 236 A HA 0.787 5.112 4.320 0.008 0.000 0.328 236 A C 0.097 177.691 177.584 0.017 0.000 1.123 236 A CA 0.026 52.064 52.037 0.001 0.000 0.861 236 A CB 0.541 19.540 19.000 -0.002 0.000 1.272 236 A HN 1.207 nan 8.150 nan 0.000 0.490 237 D N -0.938 119.472 120.400 0.018 0.000 2.697 237 D HA -0.145 4.500 4.640 0.008 0.000 0.238 237 D C 0.404 176.724 176.300 0.034 0.000 1.152 237 D CA 1.270 55.283 54.000 0.023 0.000 0.666 237 D CB -1.888 38.925 40.800 0.023 0.000 1.037 237 D HN 1.108 nan 8.370 nan 0.000 0.423 238 A N 0.721 123.562 122.820 0.034 0.000 2.540 238 A HA 0.180 4.505 4.320 0.008 0.000 0.239 238 A C 0.781 178.393 177.584 0.046 0.000 1.061 238 A CA 0.166 52.235 52.037 0.052 0.000 0.758 238 A CB 0.488 19.513 19.000 0.042 0.000 0.991 238 A HN 0.154 nan 8.150 nan 0.000 0.502 239 D N 0.798 121.235 120.400 0.062 0.000 2.312 239 D HA 0.157 4.802 4.640 0.008 0.000 0.244 239 D C 1.101 177.414 176.300 0.022 0.000 1.328 239 D CA 0.941 54.964 54.000 0.038 0.000 0.965 239 D CB 0.256 41.077 40.800 0.036 0.000 1.140 239 D HN 0.701 nan 8.370 nan 0.000 0.523 240 D N -1.540 118.864 120.400 0.007 0.000 2.249 240 D HA -0.115 4.530 4.640 0.008 0.000 0.205 240 D C 1.749 178.045 176.300 -0.007 0.000 0.962 240 D CA 0.419 54.417 54.000 -0.003 0.000 0.860 240 D CB -0.303 40.492 40.800 -0.009 0.000 0.955 240 D HN 0.206 nan 8.370 nan 0.000 0.505 241 V N -0.956 118.952 119.914 -0.009 0.000 2.719 241 V HA 0.025 4.150 4.120 0.008 0.000 0.252 241 V C 0.526 176.618 176.094 -0.004 0.000 1.065 241 V CA 0.486 62.772 62.300 -0.023 0.000 1.086 241 V CB -0.714 31.078 31.823 -0.052 0.000 0.700 241 V HN 0.024 nan 8.190 nan 0.000 0.467 242 E N 0.939 121.160 120.200 0.036 0.000 2.343 242 E HA 0.476 4.831 4.350 0.008 0.000 0.269 242 E C -0.487 176.149 176.600 0.059 0.000 1.047 242 E CA -0.512 55.949 56.400 0.102 0.000 0.874 242 E CB 0.832 30.651 29.700 0.197 0.000 1.033 242 E HN 0.441 nan 8.360 nan 0.000 0.409 243 R N 3.089 123.626 120.500 0.062 0.000 2.335 243 R HA 0.267 4.612 4.340 0.008 0.000 0.302 243 R C -2.498 173.789 176.300 -0.023 0.000 1.147 243 R CA -1.972 54.129 56.100 0.002 0.000 1.111 243 R CB 0.763 31.054 30.300 -0.015 0.000 1.122 243 R HN 0.268 nan 8.270 nan 0.000 0.557 244 P HA -0.031 nan 4.420 nan 0.000 0.262 244 P C 0.295 177.499 177.300 -0.159 0.000 1.199 244 P CA 0.389 63.448 63.100 -0.068 0.000 0.763 244 P CB 0.705 32.369 31.700 -0.060 0.000 0.790 245 L N 2.152 123.267 121.223 -0.180 0.000 2.269 245 L HA 0.246 4.591 4.340 0.008 0.000 0.200 245 L C 0.368 176.761 176.870 -0.794 0.000 1.069 245 L CA 0.778 55.355 54.840 -0.438 0.000 0.804 245 L CB -0.147 41.762 42.059 -0.251 0.000 0.987 245 L HN 0.241 nan 8.230 nan 0.000 0.468 246 F N -0.624 119.268 119.950 -0.097 0.000 2.591 246 F HA 0.381 4.913 4.527 0.008 0.000 0.309 246 F C -0.209 175.566 175.800 -0.041 0.000 1.098 246 F CA -0.873 57.082 58.000 -0.074 0.000 0.937 246 F CB 1.722 40.702 39.000 -0.033 0.000 1.250 246 F HN -0.196 nan 8.300 nan 0.000 0.447 247 E N 3.123 123.420 120.200 0.162 0.000 2.191 247 E HA 0.479 4.834 4.350 0.008 0.000 0.278 247 E C -0.800 175.879 176.600 0.132 0.000 0.972 247 E CA -0.622 55.856 56.400 0.130 0.000 0.804 247 E CB 2.182 31.979 29.700 0.162 0.000 1.110 247 E HN 0.461 nan 8.360 nan 0.000 0.394 248 I N 3.885 124.500 120.570 0.075 0.000 2.276 248 I HA 0.029 4.204 4.170 0.008 0.000 0.290 248 I C 1.214 177.349 176.117 0.029 0.000 1.109 248 I CA -0.262 61.062 61.300 0.040 0.000 1.229 248 I CB 0.531 38.543 38.000 0.019 0.000 1.452 248 I HN 0.411 nan 8.210 nan 0.000 0.497 249 V N 3.249 123.173 119.914 0.018 0.000 2.237 249 V HA -0.157 3.968 4.120 0.008 0.000 0.245 249 V C 1.079 177.184 176.094 0.019 0.000 1.046 249 V CA 1.421 63.722 62.300 0.003 0.000 1.007 249 V CB -0.277 31.523 31.823 -0.039 0.000 0.638 249 V HN 0.761 nan 8.190 nan 0.000 0.445 250 S N -1.450 114.267 115.700 0.030 0.000 2.569 250 S HA 0.779 5.253 4.470 0.008 0.000 0.280 250 S C -1.111 173.592 174.600 0.170 0.000 1.111 250 S CA -0.019 58.255 58.200 0.124 0.000 0.887 250 S CB 1.869 65.219 63.200 0.249 0.000 1.095 250 S HN 0.656 nan 8.310 nan 0.000 0.476 251 A N 2.001 124.920 122.820 0.164 0.000 2.411 251 A HA 0.886 5.210 4.320 0.008 0.000 0.285 251 A C -0.249 177.394 177.584 0.099 0.000 1.129 251 A CA -0.126 51.994 52.037 0.138 0.000 0.736 251 A CB 0.742 19.779 19.000 0.062 0.000 1.186 251 A HN 1.356 nan 8.150 nan 0.000 0.445 252 A N 1.734 124.609 122.820 0.092 0.000 2.443 252 A HA 0.992 5.317 4.320 0.008 0.000 0.278 252 A C -0.543 176.993 177.584 -0.079 0.000 1.252 252 A CA -0.632 51.367 52.037 -0.064 0.000 0.816 252 A CB 1.628 20.456 19.000 -0.286 0.000 1.369 252 A HN 1.058 nan 8.150 nan 0.000 0.446 253 Q N -0.985 118.736 119.800 -0.131 0.000 2.545 253 Q HA 0.559 4.904 4.340 0.008 0.000 0.273 253 Q C -1.582 174.332 176.000 -0.144 0.000 0.975 253 Q CA -0.283 55.439 55.803 -0.135 0.000 0.876 253 Q CB 2.130 30.795 28.738 -0.122 0.000 1.472 253 Q HN 1.046 nan 8.270 nan 0.000 0.389 254 T N 1.652 116.119 114.554 -0.144 0.000 2.762 254 T HA 0.686 5.041 4.350 0.008 0.000 0.301 254 T C -1.608 173.027 174.700 -0.110 0.000 1.299 254 T CA -0.403 61.627 62.100 -0.116 0.000 1.005 254 T CB 1.230 70.037 68.868 -0.102 0.000 1.377 254 T HN 0.491 nan 8.240 nan 0.000 0.504 255 I N 1.975 122.498 120.570 -0.079 0.000 2.530 255 I HA 0.523 4.698 4.170 0.008 0.000 0.297 255 I C -0.348 175.750 176.117 -0.033 0.000 1.011 255 I CA -1.091 60.171 61.300 -0.063 0.000 1.107 255 I CB 1.983 39.950 38.000 -0.055 0.000 1.285 255 I HN 0.525 nan 8.210 nan 0.000 0.436 256 I N 6.530 127.089 120.570 -0.019 0.000 2.342 256 I HA 0.254 4.429 4.170 0.008 0.000 0.291 256 I C -2.129 173.983 176.117 -0.007 0.000 1.010 256 I CA -1.773 59.521 61.300 -0.009 0.000 1.308 256 I CB 0.987 38.985 38.000 -0.004 0.000 1.400 256 I HN 0.196 nan 8.210 nan 0.000 0.488 257 P HA -0.047 nan 4.420 nan 0.000 0.265 257 P C -0.574 176.724 177.300 -0.003 0.000 1.187 257 P CA 0.038 63.134 63.100 -0.007 0.000 0.766 257 P CB 0.176 31.870 31.700 -0.010 0.000 0.820 258 E N 0.856 121.058 120.200 0.003 0.000 2.160 258 E HA -0.210 4.145 4.350 0.008 0.000 0.180 258 E C -0.262 176.346 176.600 0.012 0.000 1.452 258 E CA 0.837 57.238 56.400 0.001 0.000 0.683 258 E CB -2.084 27.600 29.700 -0.026 0.000 1.072 258 E HN 0.557 nan 8.360 nan 0.000 0.332 259 S N -1.470 114.258 115.700 0.048 0.000 3.053 259 S HA 0.033 4.508 4.470 0.008 0.000 0.255 259 S C 0.735 175.400 174.600 0.109 0.000 0.976 259 S CA -0.118 58.118 58.200 0.060 0.000 1.159 259 S CB 0.379 63.595 63.200 0.026 0.000 1.110 259 S HN 0.314 nan 8.310 nan 0.000 0.633 260 D N 1.299 121.801 120.400 0.169 0.000 2.350 260 D HA -0.137 4.508 4.640 0.008 0.000 0.216 260 D C 0.845 177.212 176.300 0.110 0.000 0.968 260 D CA 1.039 55.119 54.000 0.134 0.000 0.894 260 D CB -0.597 40.265 40.800 0.103 0.000 0.909 260 D HN 0.547 nan 8.370 nan 0.000 0.520 261 H N -0.253 118.824 119.070 0.013 0.000 2.539 261 H HA 0.509 5.070 4.556 0.008 0.000 0.269 261 H C 1.792 177.128 175.328 0.013 0.000 0.980 261 H CA 0.501 56.557 56.048 0.013 0.000 1.152 261 H CB 0.427 30.194 29.762 0.008 0.000 1.407 261 H HN 0.303 nan 8.280 nan 0.000 0.564 262 A N 0.042 122.933 122.820 0.119 0.000 1.984 262 A HA 0.246 4.571 4.320 0.008 0.000 0.214 262 A C 0.528 178.146 177.584 0.056 0.000 1.173 262 A CA 0.453 52.531 52.037 0.069 0.000 0.673 262 A CB 0.453 19.481 19.000 0.046 0.000 0.830 262 A HN 0.236 nan 8.150 nan 0.000 0.453 263 L N 1.003 122.262 121.223 0.059 0.000 2.439 263 L HA 0.430 4.775 4.340 0.008 0.000 0.270 263 L C -1.794 175.103 176.870 0.046 0.000 0.972 263 L CA -0.671 54.205 54.840 0.061 0.000 0.836 263 L CB 2.101 44.214 42.059 0.089 0.000 1.255 263 L HN 0.308 nan 8.230 nan 0.000 0.404 264 N N 4.143 122.862 118.700 0.032 0.000 2.277 264 N HA 0.791 5.536 4.740 0.008 0.000 0.286 264 N C -1.282 174.238 175.510 0.017 0.000 1.140 264 N CA -0.711 52.345 53.050 0.010 0.000 0.799 264 N CB 2.476 40.950 38.487 -0.022 0.000 1.596 264 N HN 0.423 nan 8.380 nan 0.000 0.473 265 M N 0.932 120.532 119.600 -0.001 0.000 2.484 265 M HA 0.560 5.045 4.480 0.008 0.000 0.289 265 M C -1.478 174.783 176.300 -0.066 0.000 1.206 265 M CA -0.603 54.691 55.300 -0.009 0.000 0.892 265 M CB 3.164 35.758 32.600 -0.010 0.000 1.712 265 M HN 0.745 nan 8.290 nan 0.000 0.462 266 R N 0.887 121.340 120.500 -0.078 0.000 2.687 266 R HA 0.554 4.899 4.340 0.008 0.000 0.265 266 R C -2.120 174.146 176.300 -0.058 0.000 1.048 266 R CA -0.858 55.175 56.100 -0.112 0.000 0.884 266 R CB 1.000 31.282 30.300 -0.031 0.000 1.258 266 R HN 0.322 nan 8.270 nan 0.000 0.469 267 F N 1.349 121.300 119.950 0.002 0.000 2.418 267 F HA 0.509 5.041 4.527 0.008 0.000 0.341 267 F C 1.102 176.898 175.800 -0.007 0.000 1.120 267 F CA 0.412 58.404 58.000 -0.014 0.000 1.232 267 F CB 1.721 40.694 39.000 -0.044 0.000 1.175 267 F HN 0.754 nan 8.300 nan 0.000 0.569 268 T N -1.734 112.947 114.554 0.212 0.000 2.812 268 T HA 0.372 4.727 4.350 0.008 0.000 0.294 268 T C 0.565 175.305 174.700 0.067 0.000 1.159 268 T CA -0.752 61.413 62.100 0.109 0.000 1.008 268 T CB 1.466 70.385 68.868 0.085 0.000 1.289 268 T HN 0.507 nan 8.240 nan 0.000 0.514 269 E N -0.002 120.224 120.200 0.043 0.000 2.110 269 E HA -0.089 4.266 4.350 0.008 0.000 0.193 269 E C 2.099 178.721 176.600 0.036 0.000 0.988 269 E CA 1.137 57.552 56.400 0.025 0.000 0.804 269 E CB -0.055 29.657 29.700 0.021 0.000 0.745 269 E HN 0.469 nan 8.360 nan 0.000 0.458 270 R N -0.039 120.491 120.500 0.049 0.000 2.119 270 R HA 0.092 4.437 4.340 0.008 0.000 0.222 270 R C 0.858 177.201 176.300 0.071 0.000 1.088 270 R CA 0.995 57.133 56.100 0.062 0.000 0.984 270 R CB -0.030 30.303 30.300 0.055 0.000 0.884 270 R HN 0.127 nan 8.270 nan 0.000 0.447 271 R N -2.786 117.757 120.500 0.072 0.000 3.247 271 R HA 0.111 4.456 4.340 0.008 0.000 0.272 271 R C -1.667 174.715 176.300 0.137 0.000 0.916 271 R CA -0.950 55.193 56.100 0.072 0.000 0.799 271 R CB -0.217 30.125 30.300 0.070 0.000 1.579 271 R HN -0.066 nan 8.270 nan 0.000 0.469 272 L N 2.374 123.691 121.223 0.156 0.000 2.295 272 L HA 0.412 4.757 4.340 0.008 0.000 0.288 272 L C -0.650 176.379 176.870 0.266 0.000 1.079 272 L CA 0.369 55.346 54.840 0.227 0.000 0.830 272 L CB 0.521 42.651 42.059 0.118 0.000 1.200 272 L HN 0.577 nan 8.230 nan 0.000 0.438 273 D N 2.500 123.004 120.400 0.174 0.000 2.564 273 D HA 0.861 5.506 4.640 0.008 0.000 0.273 273 D C 0.088 176.442 176.300 0.089 0.000 1.192 273 D CA 0.495 54.567 54.000 0.120 0.000 1.080 273 D CB 2.090 42.936 40.800 0.077 0.000 1.160 273 D HN 0.665 nan 8.370 nan 0.000 0.607 274 G N -1.444 107.385 108.800 0.047 0.000 2.368 274 G HA2 0.354 4.319 3.960 0.008 0.000 0.269 274 G HA3 0.354 4.319 3.960 0.008 0.000 0.269 274 G C -1.927 172.983 174.900 0.016 0.000 1.291 274 G CA -0.199 44.919 45.100 0.030 0.000 0.903 274 G HN 0.499 nan 8.290 nan 0.000 0.483 275 V N 0.477 120.401 119.914 0.017 0.000 2.711 275 V HA 0.552 4.677 4.120 0.008 0.000 0.304 275 V C -0.534 175.575 176.094 0.026 0.000 1.097 275 V CA -0.426 61.885 62.300 0.019 0.000 0.906 275 V CB 1.723 33.560 31.823 0.022 0.000 1.015 275 V HN 0.678 nan 8.190 nan 0.000 0.427 276 L N 4.806 126.041 121.223 0.020 0.000 2.506 276 L HA 0.518 4.863 4.340 0.008 0.000 0.247 276 L C 1.052 177.933 176.870 0.018 0.000 1.141 276 L CA -0.339 54.515 54.840 0.024 0.000 0.973 276 L CB 1.154 43.217 42.059 0.007 0.000 1.319 276 L HN 0.808 nan 8.230 nan 0.000 0.455 277 G N 0.768 109.581 108.800 0.022 0.000 2.491 277 G HA2 0.068 4.033 3.960 0.008 0.000 0.238 277 G HA3 0.068 4.033 3.960 0.008 0.000 0.238 277 G C 0.820 175.713 174.900 -0.011 0.000 1.277 277 G CA -0.359 44.748 45.100 0.010 0.000 0.851 277 G HN 0.627 nan 8.290 nan 0.000 0.573 278 R N 0.785 121.266 120.500 -0.031 0.000 2.189 278 R HA -0.091 4.254 4.340 0.008 0.000 0.223 278 R C 2.367 178.639 176.300 -0.048 0.000 1.092 278 R CA 1.164 57.232 56.100 -0.054 0.000 0.989 278 R CB 0.028 30.281 30.300 -0.078 0.000 0.876 278 R HN 0.681 nan 8.270 nan 0.000 0.457 279 Q N 0.291 120.070 119.800 -0.036 0.000 2.369 279 Q HA -0.044 4.301 4.340 0.008 0.000 0.206 279 Q C 2.055 178.026 176.000 -0.048 0.000 0.963 279 Q CA 0.631 56.410 55.803 -0.039 0.000 0.894 279 Q CB 0.054 28.776 28.738 -0.028 0.000 0.965 279 Q HN 0.111 nan 8.270 nan 0.000 0.475 280 V N 1.809 121.699 119.914 -0.039 0.000 2.222 280 V HA -0.286 3.839 4.120 0.008 0.000 0.252 280 V C -0.700 175.333 176.094 -0.101 0.000 1.060 280 V CA 2.487 64.757 62.300 -0.051 0.000 1.027 280 V CB -1.564 30.246 31.823 -0.021 0.000 0.644 280 V HN 0.304 nan 8.190 nan 0.000 0.448 281 P HA -0.129 nan 4.420 nan 0.000 0.215 281 P C 1.659 178.876 177.300 -0.137 0.000 1.157 281 P CA 1.939 64.961 63.100 -0.129 0.000 0.868 281 P CB -0.380 31.263 31.700 -0.094 0.000 0.788 282 G N -0.562 108.177 108.800 -0.102 0.000 2.432 282 G HA2 -0.208 3.757 3.960 0.008 0.000 0.219 282 G HA3 -0.208 3.757 3.960 0.008 0.000 0.219 282 G C 1.487 176.327 174.900 -0.099 0.000 1.135 282 G CA 0.479 45.524 45.100 -0.091 0.000 0.767 282 G HN 0.221 nan 8.290 nan 0.000 0.550 283 L N 0.617 121.779 121.223 -0.102 0.000 2.027 283 L HA 0.007 4.352 4.340 0.008 0.000 0.206 283 L C 2.873 179.657 176.870 -0.144 0.000 1.074 283 L CA 1.205 55.986 54.840 -0.098 0.000 0.745 283 L CB -0.433 41.581 42.059 -0.075 0.000 0.898 283 L HN 0.436 nan 8.230 nan 0.000 0.433 284 I N -2.291 118.136 120.570 -0.239 0.000 2.202 284 I HA -0.077 4.098 4.170 0.008 0.000 0.242 284 I C 2.461 178.425 176.117 -0.255 0.000 1.091 284 I CA 1.682 62.756 61.300 -0.377 0.000 1.368 284 I CB -1.223 36.281 38.000 -0.827 0.000 1.058 284 I HN 0.093 nan 8.210 nan 0.000 0.410 285 G N 1.237 109.910 108.800 -0.212 0.000 2.476 285 G HA2 -0.279 3.686 3.960 0.008 0.000 0.218 285 G HA3 -0.279 3.686 3.960 0.008 0.000 0.218 285 G C 1.189 176.021 174.900 -0.112 0.000 1.164 285 G CA 1.416 46.424 45.100 -0.153 0.000 0.768 285 G HN 0.462 nan 8.290 nan 0.000 0.560 286 D N 0.112 120.456 120.400 -0.093 0.000 2.277 286 D HA -0.005 4.640 4.640 0.008 0.000 0.208 286 D C 1.984 178.254 176.300 -0.051 0.000 0.962 286 D CA 0.520 54.482 54.000 -0.063 0.000 0.865 286 D CB -0.002 40.767 40.800 -0.052 0.000 0.939 286 D HN 0.325 nan 8.370 nan 0.000 0.510 287 N N -0.185 118.478 118.700 -0.062 0.000 2.332 287 N HA -0.027 4.718 4.740 0.008 0.000 0.190 287 N C 1.877 177.373 175.510 -0.023 0.000 1.117 287 N CA 0.007 53.036 53.050 -0.035 0.000 0.883 287 N CB 0.801 39.270 38.487 -0.029 0.000 1.089 287 N HN -0.019 nan 8.380 nan 0.000 0.480 288 V N 2.505 122.393 119.914 -0.043 0.000 2.222 288 V HA -0.338 3.787 4.120 0.008 0.000 0.252 288 V C 2.382 178.438 176.094 -0.063 0.000 1.060 288 V CA 2.440 64.732 62.300 -0.013 0.000 1.027 288 V CB -0.336 31.459 31.823 -0.047 0.000 0.644 288 V HN 0.317 nan 8.190 nan 0.000 0.448 289 E N -0.647 119.479 120.200 -0.123 0.000 2.070 289 E HA -0.306 4.049 4.350 0.008 0.000 0.197 289 E C 2.363 178.998 176.600 0.058 0.000 1.004 289 E CA 2.069 58.404 56.400 -0.108 0.000 0.805 289 E CB -0.215 29.482 29.700 -0.005 0.000 0.744 289 E HN 0.670 nan 8.360 nan 0.000 0.451 290 R N -0.093 120.438 120.500 0.052 0.000 2.080 290 R HA -0.172 4.173 4.340 0.008 0.000 0.236 290 R C 2.697 179.031 176.300 0.057 0.000 1.137 290 R CA 1.655 57.795 56.100 0.066 0.000 0.943 290 R CB -0.857 29.463 30.300 0.034 0.000 0.846 290 R HN 0.340 nan 8.270 nan 0.000 0.431 291 C N 1.067 120.387 119.300 0.033 0.000 2.398 291 C HA -0.128 4.337 4.460 0.008 0.000 0.276 291 C C 2.713 177.713 174.990 0.018 0.000 1.222 291 C CA 0.735 59.763 59.018 0.018 0.000 1.746 291 C CB -1.030 26.734 27.740 0.039 0.000 2.039 291 C HN 0.427 nan 8.230 nan 0.000 0.470 292 L N 0.030 121.306 121.223 0.087 0.000 2.017 292 L HA -0.159 4.185 4.340 0.008 0.000 0.208 292 L C 2.568 179.605 176.870 0.278 0.000 1.073 292 L CA 1.423 56.397 54.840 0.223 0.000 0.745 292 L CB -0.613 41.584 42.059 0.231 0.000 0.894 292 L HN 0.389 nan 8.230 nan 0.000 0.432 293 L N -0.618 120.783 121.223 0.296 0.000 2.083 293 L HA -0.234 4.111 4.340 0.008 0.000 0.209 293 L C 2.211 179.140 176.870 0.099 0.000 1.083 293 L CA 1.070 56.063 54.840 0.255 0.000 0.752 293 L CB -0.646 41.559 42.059 0.243 0.000 0.899 293 L HN 0.300 nan 8.230 nan 0.000 0.433 294 D N -0.220 120.198 120.400 0.029 0.000 2.144 294 D HA -0.137 4.508 4.640 0.008 0.000 0.200 294 D C 2.318 178.535 176.300 -0.138 0.000 0.978 294 D CA 1.304 55.282 54.000 -0.037 0.000 0.833 294 D CB 0.022 40.796 40.800 -0.044 0.000 0.961 294 D HN 0.361 nan 8.370 nan 0.000 0.470 295 M N -1.120 118.313 119.600 -0.278 0.000 2.288 295 M HA -0.015 4.470 4.480 0.008 0.000 0.266 295 M C 0.779 176.556 176.300 -0.872 0.000 1.072 295 M CA 1.039 55.927 55.300 -0.688 0.000 1.132 295 M CB 0.232 32.174 32.600 -1.097 0.000 1.386 295 M HN -0.042 nan 8.290 nan 0.000 0.432 296 F N -1.908 118.080 119.950 0.063 0.000 2.871 296 F HA 0.395 4.927 4.527 0.008 0.000 0.344 296 F C 1.949 177.777 175.800 0.047 0.000 1.078 296 F CA -0.112 57.919 58.000 0.051 0.000 1.149 296 F CB -1.132 37.905 39.000 0.061 0.000 1.087 296 F HN 0.113 nan 8.300 nan 0.000 0.557 297 G N 2.007 110.918 108.800 0.185 0.000 3.011 297 G HA2 -0.350 3.615 3.960 0.008 0.000 0.312 297 G HA3 -0.350 3.615 3.960 0.008 0.000 0.312 297 G C -0.947 174.004 174.900 0.086 0.000 1.189 297 G CA 1.067 46.239 45.100 0.120 0.000 1.054 297 G HN 0.238 nan 8.290 nan 0.000 0.823 307 G N -0.871 107.879 108.800 -0.082 0.000 2.557 307 G HA2 0.486 4.451 3.960 0.008 0.000 0.302 307 G HA3 0.486 4.451 3.960 0.008 0.000 0.302 307 G C 0.673 175.534 174.900 -0.065 0.000 1.311 307 G CA -1.032 44.001 45.100 -0.113 0.000 1.030 307 G HN 0.263 nan 8.290 nan 0.000 0.509 308 W N -0.712 120.686 121.300 0.164 0.000 2.525 308 W HA 0.018 4.682 4.660 0.007 0.000 0.259 308 W C 2.119 178.868 176.519 0.383 0.000 1.253 308 W CA -0.079 57.451 57.345 0.307 0.000 1.262 308 W CB 0.196 29.817 29.460 0.268 0.000 1.122 308 W HN 0.334 nan 8.180 nan 0.000 0.607 309 N N 0.423 119.360 118.700 0.395 0.000 2.550 309 N HA -0.104 4.641 4.740 0.008 0.000 0.186 309 N C 0.434 176.125 175.510 0.301 0.000 1.110 309 N CA 1.018 54.274 53.050 0.343 0.000 0.912 309 N CB -0.198 38.413 38.487 0.208 0.000 0.968 309 N HN 0.205 nan 8.380 nan 0.000 0.448 310 D N 0.189 120.729 120.400 0.233 0.000 2.347 310 D HA 0.090 4.735 4.640 0.008 0.000 0.215 310 D C 0.607 176.995 176.300 0.147 0.000 0.976 310 D CA 0.374 54.470 54.000 0.160 0.000 0.884 310 D CB 0.444 41.289 40.800 0.076 0.000 0.915 310 D HN 0.232 nan 8.370 nan 0.000 0.526 311 L N -0.022 121.303 121.223 0.170 0.000 2.332 311 L HA 0.429 4.774 4.340 0.008 0.000 0.269 311 L C -0.096 176.728 176.870 -0.076 0.000 1.016 311 L CA -1.378 53.387 54.840 -0.125 0.000 0.809 311 L CB 0.946 42.764 42.059 -0.402 0.000 1.280 311 L HN -0.154 nan 8.230 nan 0.000 0.447 312 F N -1.583 118.220 119.950 -0.246 0.000 2.440 312 F HA 0.734 5.265 4.527 0.008 0.000 0.328 312 F C -1.274 174.258 175.800 -0.447 0.000 1.070 312 F CA -1.380 56.567 58.000 -0.089 0.000 1.011 312 F CB 0.679 39.700 39.000 0.034 0.000 1.226 312 F HN 0.174 nan 8.300 nan 0.000 0.491 313 W N 1.035 122.533 121.300 0.329 0.000 2.883 313 W HA 0.747 5.412 4.660 0.008 0.000 0.335 313 W C -1.110 175.510 176.519 0.168 0.000 1.083 313 W CA -1.300 56.154 57.345 0.182 0.000 1.233 313 W CB 2.221 31.747 29.460 0.110 0.000 1.412 313 W HN 0.817 nan 8.180 nan 0.000 0.490 314 A N 2.765 125.759 122.820 0.290 0.000 2.522 314 A HA 0.766 5.091 4.320 0.008 0.000 0.285 314 A C -1.659 176.020 177.584 0.157 0.000 1.198 314 A CA -0.574 51.566 52.037 0.171 0.000 0.742 314 A CB 0.564 19.597 19.000 0.054 0.000 1.176 314 A HN 0.409 nan 8.150 nan 0.000 0.444 315 V N 2.226 122.247 119.914 0.178 0.000 2.656 315 V HA 0.277 4.402 4.120 0.008 0.000 0.307 315 V C -0.001 176.177 176.094 0.141 0.000 1.051 315 V CA -0.736 61.654 62.300 0.150 0.000 0.893 315 V CB 1.730 33.672 31.823 0.197 0.000 0.999 315 V HN 0.959 nan 8.190 nan 0.000 0.426 316 H N 7.289 126.373 119.070 0.023 0.000 3.145 316 H HA 0.139 4.701 4.556 0.011 0.000 0.288 316 H C -2.167 173.240 175.328 0.133 0.000 0.969 316 H CA -1.180 54.900 56.048 0.053 0.000 1.444 316 H CB 0.866 30.640 29.762 0.020 0.000 1.500 316 H HN 0.362 nan 8.280 nan 0.000 0.552 317 P HA 0.098 nan 4.420 nan 0.000 0.266 317 P C 0.932 178.036 177.300 -0.327 0.000 1.586 317 P CA -0.006 62.981 63.100 -0.188 0.000 1.088 317 P CB 0.737 32.378 31.700 -0.099 0.000 1.584 318 G N 3.606 112.307 108.800 -0.166 0.000 2.491 318 G HA2 -0.153 3.812 3.960 0.008 0.000 0.218 318 G HA3 -0.153 3.812 3.960 0.008 0.000 0.218 318 G C 0.487 175.369 174.900 -0.031 0.000 1.180 318 G CA 1.050 46.115 45.100 -0.058 0.000 0.774 318 G HN 0.687 nan 8.290 nan 0.000 0.562 319 S N -3.078 112.607 115.700 -0.025 0.000 2.655 319 S HA 0.387 4.862 4.470 0.008 0.000 0.266 319 S C 0.957 175.544 174.600 -0.022 0.000 1.149 319 S CA 0.535 58.728 58.200 -0.013 0.000 0.818 319 S CB 0.843 64.046 63.200 0.006 0.000 1.130 319 S HN 0.683 nan 8.310 nan 0.000 0.476 320 S N 0.714 116.402 115.700 -0.019 0.000 2.383 320 S HA -0.162 4.312 4.470 0.008 0.000 0.229 320 S C 2.026 176.607 174.600 -0.032 0.000 1.030 320 S CA 2.064 60.250 58.200 -0.023 0.000 1.002 320 S CB -1.809 61.378 63.200 -0.021 0.000 0.829 320 S HN 1.305 nan 8.310 nan 0.000 0.467 321 T N 1.583 116.116 114.554 -0.035 0.000 2.674 321 T HA 0.038 4.393 4.350 0.008 0.000 0.265 321 T C 1.849 176.514 174.700 -0.058 0.000 1.039 321 T CA 1.223 63.295 62.100 -0.046 0.000 1.150 321 T CB -0.912 67.927 68.868 -0.047 0.000 0.864 321 T HN 0.398 nan 8.240 nan 0.000 0.427 322 I N 0.710 121.246 120.570 -0.057 0.000 2.208 322 I HA -0.169 4.006 4.170 0.008 0.000 0.245 322 I C 2.768 178.844 176.117 -0.068 0.000 1.097 322 I CA 1.433 62.686 61.300 -0.080 0.000 1.363 322 I CB -0.399 37.567 38.000 -0.057 0.000 1.051 322 I HN 0.229 nan 8.210 nan 0.000 0.413 323 M N -0.298 119.280 119.600 -0.038 0.000 2.229 323 M HA -0.179 4.306 4.480 0.008 0.000 0.264 323 M C 1.648 177.914 176.300 -0.057 0.000 1.063 323 M CA 1.538 56.819 55.300 -0.031 0.000 1.114 323 M CB -1.135 31.455 32.600 -0.016 0.000 1.387 323 M HN 0.209 nan 8.290 nan 0.000 0.420 324 D N -0.109 120.257 120.400 -0.058 0.000 2.183 324 D HA -0.111 4.534 4.640 0.008 0.000 0.203 324 D C 2.199 178.451 176.300 -0.080 0.000 0.969 324 D CA 0.791 54.754 54.000 -0.062 0.000 0.842 324 D CB -0.096 40.673 40.800 -0.052 0.000 0.957 324 D HN 0.337 nan 8.370 nan 0.000 0.484 325 Q N 0.414 120.158 119.800 -0.093 0.000 2.079 325 Q HA -0.056 4.289 4.340 0.008 0.000 0.200 325 Q C 2.476 178.396 176.000 -0.133 0.000 0.974 325 Q CA 0.581 56.316 55.803 -0.113 0.000 0.840 325 Q CB -0.280 28.376 28.738 -0.137 0.000 0.898 325 Q HN 0.208 nan 8.270 nan 0.000 0.430 326 V N 1.651 121.483 119.914 -0.138 0.000 2.358 326 V HA -0.227 3.898 4.120 0.008 0.000 0.246 326 V C 1.788 177.753 176.094 -0.216 0.000 1.047 326 V CA 1.864 64.063 62.300 -0.169 0.000 1.035 326 V CB -0.503 31.253 31.823 -0.111 0.000 0.658 326 V HN 0.221 nan 8.190 nan 0.000 0.452 327 D N 0.336 120.634 120.400 -0.170 0.000 2.104 327 D HA -0.138 4.507 4.640 0.008 0.000 0.194 327 D C 2.234 178.456 176.300 -0.130 0.000 0.994 327 D CA 1.752 55.655 54.000 -0.162 0.000 0.830 327 D CB -0.369 40.368 40.800 -0.104 0.000 0.959 327 D HN 0.409 nan 8.370 nan 0.000 0.452 328 A N 1.043 123.801 122.820 -0.103 0.000 1.851 328 A HA -0.103 4.222 4.320 0.008 0.000 0.216 328 A C 2.348 179.885 177.584 -0.078 0.000 1.195 328 A CA 2.732 54.724 52.037 -0.076 0.000 0.622 328 A CB -1.082 17.878 19.000 -0.066 0.000 0.831 328 A HN 0.241 nan 8.150 nan 0.000 0.444 329 A N -0.739 122.017 122.820 -0.107 0.000 1.948 329 A HA -0.059 4.266 4.320 0.008 0.000 0.220 329 A C 1.957 179.470 177.584 -0.118 0.000 1.177 329 A CA 1.723 53.695 52.037 -0.108 0.000 0.636 329 A CB -0.511 18.405 19.000 -0.141 0.000 0.815 329 A HN 0.505 nan 8.150 nan 0.000 0.449 330 L N -1.503 119.604 121.223 -0.193 0.000 2.640 330 L HA 0.267 4.611 4.340 0.008 0.000 0.230 330 L C 1.367 178.239 176.870 0.003 0.000 1.123 330 L CA 0.245 54.968 54.840 -0.195 0.000 0.900 330 L CB -0.189 41.545 42.059 -0.542 0.000 1.146 330 L HN 0.505 nan 8.230 nan 0.000 0.484 331 G N 2.005 110.789 108.800 -0.027 0.000 2.371 331 G HA2 -0.277 3.688 3.960 0.008 0.000 0.299 331 G HA3 -0.277 3.688 3.960 0.008 0.000 0.299 331 G C -0.016 174.892 174.900 0.013 0.000 1.014 331 G CA 0.086 45.193 45.100 0.011 0.000 1.097 331 G HN 0.249 nan 8.290 nan 0.000 0.512 332 L N -0.319 120.868 121.223 -0.060 0.000 2.350 332 L HA 0.391 4.736 4.340 0.008 0.000 0.275 332 L C 1.025 177.883 176.870 -0.020 0.000 1.099 332 L CA -0.808 53.995 54.840 -0.062 0.000 0.808 332 L CB 0.868 42.786 42.059 -0.235 0.000 1.149 332 L HN 0.301 nan 8.230 nan 0.000 0.442 333 E N 3.213 123.431 120.200 0.029 0.000 2.415 333 E HA -0.002 4.353 4.350 0.008 0.000 0.262 333 E C -1.569 175.047 176.600 0.028 0.000 1.038 333 E CA -1.297 55.125 56.400 0.037 0.000 0.921 333 E CB 0.481 30.220 29.700 0.065 0.000 0.950 333 E HN 0.390 nan 8.360 nan 0.000 0.438 334 P HA -0.224 nan 4.420 nan 0.000 0.218 334 P C 1.229 178.555 177.300 0.043 0.000 1.154 334 P CA 1.568 64.681 63.100 0.022 0.000 0.872 334 P CB 0.036 31.748 31.700 0.021 0.000 0.790 335 G N -0.579 108.260 108.800 0.064 0.000 2.498 335 G HA2 -0.218 3.747 3.960 0.008 0.000 0.219 335 G HA3 -0.218 3.747 3.960 0.008 0.000 0.219 335 G C 1.468 176.444 174.900 0.127 0.000 1.119 335 G CA 0.501 45.654 45.100 0.089 0.000 0.766 335 G HN 0.192 nan 8.290 nan 0.000 0.552 336 K N 0.303 120.782 120.400 0.131 0.000 2.026 336 K HA 0.072 4.397 4.320 0.008 0.000 0.208 336 K C 1.986 178.705 176.600 0.198 0.000 1.048 336 K CA 0.685 57.095 56.287 0.206 0.000 0.929 336 K CB -0.441 32.136 32.500 0.127 0.000 0.713 336 K HN 0.370 nan 8.250 nan 0.000 0.439 337 L N 0.360 121.639 121.223 0.094 0.000 2.741 337 L HA 0.226 4.571 4.340 0.008 0.000 0.237 337 L C 1.853 178.776 176.870 0.089 0.000 1.178 337 L CA -0.178 54.719 54.840 0.095 0.000 0.973 337 L CB -0.096 41.977 42.059 0.024 0.000 1.255 337 L HN -0.034 nan 8.230 nan 0.000 0.498 338 A N 1.026 123.903 122.820 0.095 0.000 1.883 338 A HA -0.219 4.106 4.320 0.008 0.000 0.217 338 A C 2.586 180.224 177.584 0.091 0.000 1.186 338 A CA 2.038 54.124 52.037 0.081 0.000 0.624 338 A CB -0.381 18.669 19.000 0.083 0.000 0.822 338 A HN 0.419 nan 8.150 nan 0.000 0.444 339 A N -0.542 122.347 122.820 0.114 0.000 1.858 339 A HA -0.098 4.227 4.320 0.008 0.000 0.216 339 A C 2.462 180.120 177.584 0.123 0.000 1.190 339 A CA 2.223 54.332 52.037 0.120 0.000 0.617 339 A CB -1.054 18.022 19.000 0.128 0.000 0.827 339 A HN 0.489 nan 8.150 nan 0.000 0.443 340 S N -0.316 115.457 115.700 0.122 0.000 2.370 340 S HA -0.195 4.280 4.470 0.008 0.000 0.226 340 S C 2.032 176.680 174.600 0.079 0.000 1.033 340 S CA 1.619 59.883 58.200 0.107 0.000 1.011 340 S CB -0.347 62.917 63.200 0.107 0.000 0.852 340 S HN 0.606 nan 8.310 nan 0.000 0.457 341 R N 0.589 121.128 120.500 0.065 0.000 2.115 341 R HA 0.056 4.401 4.340 0.008 0.000 0.230 341 R C 2.484 178.814 176.300 0.051 0.000 1.111 341 R CA 0.951 57.077 56.100 0.042 0.000 0.976 341 R CB -0.181 30.137 30.300 0.031 0.000 0.870 341 R HN 0.119 nan 8.270 nan 0.000 0.445 342 R N 0.891 121.434 120.500 0.072 0.000 2.096 342 R HA -0.073 4.272 4.340 0.008 0.000 0.235 342 R C 1.824 178.188 176.300 0.107 0.000 1.127 342 R CA 1.382 57.528 56.100 0.077 0.000 0.968 342 R CB -0.625 29.732 30.300 0.095 0.000 0.861 342 R HN 0.028 nan 8.270 nan 0.000 0.440 343 V N 0.861 120.876 119.914 0.168 0.000 2.379 343 V HA -0.155 3.970 4.120 0.008 0.000 0.245 343 V C 2.281 178.491 176.094 0.193 0.000 1.044 343 V CA 1.650 64.122 62.300 0.286 0.000 1.036 343 V CB -0.536 31.448 31.823 0.268 0.000 0.664 343 V HN 0.399 nan 8.190 nan 0.000 0.453 344 L N -0.144 121.131 121.223 0.087 0.000 2.083 344 L HA -0.146 4.199 4.340 0.008 0.000 0.209 344 L C 2.547 179.433 176.870 0.026 0.000 1.083 344 L CA 2.375 57.238 54.840 0.038 0.000 0.752 344 L CB -0.446 41.613 42.059 0.002 0.000 0.899 344 L HN 0.326 nan 8.230 nan 0.000 0.433 345 S N -0.904 114.804 115.700 0.013 0.000 2.402 345 S HA -0.165 4.310 4.470 0.008 0.000 0.229 345 S C 1.580 176.132 174.600 -0.080 0.000 1.021 345 S CA 1.569 59.755 58.200 -0.024 0.000 0.974 345 S CB -0.353 62.837 63.200 -0.016 0.000 0.800 345 S HN 0.612 nan 8.310 nan 0.000 0.484 346 D N -1.094 119.222 120.400 -0.140 0.000 2.327 346 D HA 0.162 4.806 4.640 0.008 0.000 0.205 346 D C 0.502 176.472 176.300 -0.550 0.000 0.989 346 D CA 0.703 54.461 54.000 -0.403 0.000 0.873 346 D CB 0.201 40.615 40.800 -0.643 0.000 0.955 346 D HN 0.560 nan 8.370 nan 0.000 0.515 347 Y N -0.729 119.608 120.300 0.062 0.000 2.435 347 Y HA 0.377 4.933 4.550 0.009 0.000 0.270 347 Y C 1.409 177.307 175.900 -0.004 0.000 1.093 347 Y CA 0.116 58.252 58.100 0.060 0.000 1.226 347 Y CB 0.847 39.234 38.460 -0.121 0.000 1.289 347 Y HN -0.045 nan 8.280 nan 0.000 0.529 348 G N 1.429 110.296 108.800 0.112 0.000 2.660 348 G HA2 -0.268 3.697 3.960 0.008 0.000 0.215 348 G HA3 -0.268 3.697 3.960 0.008 0.000 0.215 348 G C -0.852 174.076 174.900 0.046 0.000 1.345 348 G CA -0.471 44.678 45.100 0.082 0.000 0.877 348 G HN 0.239 nan 8.290 nan 0.000 0.549 349 N N 0.511 119.248 118.700 0.060 0.000 2.408 349 N HA 0.448 5.193 4.740 0.008 0.000 0.257 349 N C 0.711 176.163 175.510 -0.097 0.000 1.064 349 N CA -0.115 52.915 53.050 -0.034 0.000 0.952 349 N CB 0.388 38.860 38.487 -0.025 0.000 1.093 349 N HN 0.486 nan 8.380 nan 0.000 0.490 350 M N 2.424 121.970 119.600 -0.091 0.000 2.869 350 M HA 0.111 4.596 4.480 0.008 0.000 0.338 350 M C 0.761 177.007 176.300 -0.091 0.000 1.227 350 M CA -0.303 54.938 55.300 -0.098 0.000 0.946 350 M CB -0.095 32.404 32.600 -0.168 0.000 1.299 350 M HN 0.628 nan 8.290 nan 0.000 0.518 351 S N 0.893 116.500 115.700 -0.155 0.000 3.525 351 S HA -0.253 4.222 4.470 0.008 0.000 0.629 351 S C 1.465 175.958 174.600 -0.178 0.000 2.621 351 S CA 1.555 59.644 58.200 -0.185 0.000 3.752 351 S CB -1.293 61.825 63.200 -0.136 0.000 0.260 351 S HN 0.771 nan 8.310 nan 0.000 1.214 352 G N 0.740 109.427 108.800 -0.189 0.000 2.485 352 G HA2 0.071 4.036 3.960 0.008 0.000 0.221 352 G HA3 0.071 4.036 3.960 0.008 0.000 0.221 352 G C 1.648 176.513 174.900 -0.059 0.000 1.115 352 G CA 1.417 46.415 45.100 -0.171 0.000 0.751 352 G HN 1.412 nan 8.290 nan 0.000 0.567 353 A N 0.244 123.066 122.820 0.002 0.000 2.066 353 A HA 0.101 4.425 4.320 0.008 0.000 0.218 353 A C 2.481 180.184 177.584 0.198 0.000 1.157 353 A CA 2.047 54.150 52.037 0.109 0.000 0.670 353 A CB -0.647 18.454 19.000 0.168 0.000 0.804 353 A HN 0.280 nan 8.150 nan 0.000 0.453 354 T N -0.340 114.278 114.554 0.107 0.000 2.624 354 T HA -0.220 4.135 4.350 0.008 0.000 0.268 354 T C 1.788 176.616 174.700 0.213 0.000 1.041 354 T CA 1.762 63.935 62.100 0.122 0.000 1.159 354 T CB -0.750 68.258 68.868 0.233 0.000 0.863 354 T HN 0.185 nan 8.240 nan 0.000 0.434 355 V N 0.962 121.002 119.914 0.210 0.000 2.490 355 V HA -0.106 4.019 4.120 0.008 0.000 0.250 355 V C 2.207 178.363 176.094 0.102 0.000 1.061 355 V CA 1.419 63.808 62.300 0.148 0.000 1.064 355 V CB -0.497 31.381 31.823 0.091 0.000 0.670 355 V HN 0.520 nan 8.190 nan 0.000 0.461 356 I N -1.509 119.123 120.570 0.104 0.000 2.439 356 I HA -0.165 4.010 4.170 0.008 0.000 0.251 356 I C 2.171 178.319 176.117 0.051 0.000 1.139 356 I CA 1.329 62.652 61.300 0.037 0.000 1.438 356 I CB -0.369 37.632 38.000 0.002 0.000 1.085 356 I HN 0.256 nan 8.210 nan 0.000 0.427 357 F N 1.236 121.153 119.950 -0.056 0.000 2.134 357 F HA -0.233 4.298 4.527 0.007 0.000 0.299 357 F C 2.625 178.417 175.800 -0.014 0.000 1.097 357 F CA 1.550 59.504 58.000 -0.076 0.000 1.264 357 F CB -0.692 38.232 39.000 -0.127 0.000 1.001 357 F HN 0.005 nan 8.300 nan 0.000 0.479 358 A N -0.139 122.813 122.820 0.220 0.000 1.865 358 A HA -0.229 4.096 4.320 0.008 0.000 0.217 358 A C 2.125 179.752 177.584 0.072 0.000 1.191 358 A CA 1.862 53.986 52.037 0.146 0.000 0.623 358 A CB -1.255 17.823 19.000 0.129 0.000 0.826 358 A HN 0.349 nan 8.150 nan 0.000 0.444 359 L N 0.030 121.254 121.223 0.001 0.000 2.079 359 L HA -0.182 4.163 4.340 0.008 0.000 0.210 359 L C 1.965 178.800 176.870 -0.058 0.000 1.081 359 L CA 2.656 57.427 54.840 -0.115 0.000 0.752 359 L CB -0.616 41.303 42.059 -0.233 0.000 0.896 359 L HN 0.466 nan 8.230 nan 0.000 0.433 360 D N -0.631 119.754 120.400 -0.025 0.000 2.084 360 D HA -0.254 4.391 4.640 0.008 0.000 0.194 360 D C 2.100 178.423 176.300 0.038 0.000 0.990 360 D CA 1.294 55.286 54.000 -0.012 0.000 0.826 360 D CB 0.020 40.763 40.800 -0.095 0.000 0.971 360 D HN 0.411 nan 8.370 nan 0.000 0.453 361 E N -0.337 119.907 120.200 0.074 0.000 2.209 361 E HA -0.139 4.215 4.350 0.008 0.000 0.196 361 E C 1.969 178.621 176.600 0.086 0.000 0.993 361 E CA 0.451 56.914 56.400 0.105 0.000 0.819 361 E CB -0.489 29.305 29.700 0.157 0.000 0.745 361 E HN 0.290 nan 8.360 nan 0.000 0.477 362 L N 0.680 121.946 121.223 0.072 0.000 2.093 362 L HA -0.085 4.259 4.340 0.008 0.000 0.208 362 L C 2.066 178.976 176.870 0.066 0.000 1.085 362 L CA 2.013 56.891 54.840 0.065 0.000 0.755 362 L CB -0.406 41.669 42.059 0.028 0.000 0.904 362 L HN 0.154 nan 8.230 nan 0.000 0.435 363 R N -1.737 118.821 120.500 0.097 0.000 2.210 363 R HA 0.044 4.389 4.340 0.008 0.000 0.203 363 R C 1.943 178.261 176.300 0.031 0.000 1.010 363 R CA 0.647 56.792 56.100 0.076 0.000 1.008 363 R CB -0.703 29.672 30.300 0.126 0.000 0.923 363 R HN 0.059 nan 8.270 nan 0.000 0.469 364 R N 0.798 121.323 120.500 0.043 0.000 2.066 364 R HA 0.062 4.407 4.340 0.008 0.000 0.232 364 R C 1.999 178.320 176.300 0.034 0.000 1.131 364 R CA 1.534 57.655 56.100 0.035 0.000 0.955 364 R CB -0.289 30.040 30.300 0.048 0.000 0.851 364 R HN 0.293 nan 8.270 nan 0.000 0.432 365 Q N -0.416 119.412 119.800 0.046 0.000 2.331 365 Q HA 0.002 4.346 4.340 0.008 0.000 0.203 365 Q C 1.939 177.963 176.000 0.040 0.000 0.944 365 Q CA 0.635 56.466 55.803 0.048 0.000 0.892 365 Q CB -0.101 28.675 28.738 0.063 0.000 0.983 365 Q HN 0.064 nan 8.270 nan 0.000 0.482 366 R N 1.597 122.112 120.500 0.026 0.000 2.091 366 R HA -0.070 4.275 4.340 0.008 0.000 0.238 366 R C 0.654 176.956 176.300 0.003 0.000 1.136 366 R CA 1.104 57.207 56.100 0.006 0.000 0.959 366 R CB -0.064 30.208 30.300 -0.046 0.000 0.856 366 R HN 0.117 nan 8.270 nan 0.000 0.437 376 P HA 0.105 nan 4.420 nan 0.000 0.266 376 P C 0.209 177.704 177.300 0.325 0.000 1.195 376 P CA 0.817 64.137 63.100 0.367 0.000 0.768 376 P CB 1.128 33.060 31.700 0.386 0.000 0.838 377 E N 0.746 121.085 120.200 0.233 0.000 2.170 377 E HA 0.040 4.394 4.350 0.008 0.000 0.191 377 E C 0.414 177.275 176.600 0.436 0.000 0.981 377 E CA 0.442 57.002 56.400 0.265 0.000 0.830 377 E CB 0.063 29.886 29.700 0.205 0.000 0.775 377 E HN 0.436 nan 8.360 nan 0.000 0.470 378 L N 0.347 121.673 121.223 0.171 0.000 2.331 378 L HA 0.573 4.918 4.340 0.008 0.000 0.275 378 L C 0.300 176.615 176.870 -0.924 0.000 1.022 378 L CA -0.768 53.974 54.840 -0.162 0.000 0.812 378 L CB 1.875 43.827 42.059 -0.177 0.000 1.257 378 L HN -0.003 nan 8.230 nan 0.000 0.435 379 G N 1.219 109.118 108.800 -1.501 0.000 2.687 379 G HA2 0.641 4.606 3.960 0.008 0.000 0.291 379 G HA3 0.641 4.606 3.960 0.008 0.000 0.291 379 G C -1.942 172.255 174.900 -1.173 0.000 1.420 379 G CA -0.404 43.395 45.100 -2.168 0.000 0.796 379 G HN 0.270 nan 8.290 nan 0.000 0.485 380 V N 0.775 120.061 119.914 -1.046 0.000 2.588 380 V HA 0.614 4.739 4.120 0.008 0.000 0.304 380 V C -0.315 175.612 176.094 -0.278 0.000 1.042 380 V CA -0.518 61.398 62.300 -0.639 0.000 0.877 380 V CB 1.776 33.179 31.823 -0.699 0.000 0.996 380 V HN 0.757 nan 8.190 nan 0.000 0.425 381 M N 7.542 127.041 119.600 -0.168 0.000 2.072 381 M HA 0.685 5.170 4.480 0.008 0.000 0.331 381 M C -0.842 175.436 176.300 -0.037 0.000 1.004 381 M CA -0.352 54.907 55.300 -0.069 0.000 0.952 381 M CB 0.835 33.381 32.600 -0.091 0.000 1.511 381 M HN 0.862 nan 8.290 nan 0.000 0.422 382 M N 3.924 123.510 119.600 -0.023 0.000 2.575 382 M HA 0.978 5.463 4.480 0.008 0.000 0.284 382 M C -2.127 174.029 176.300 -0.241 0.000 1.253 382 M CA -0.623 54.613 55.300 -0.108 0.000 0.861 382 M CB 2.505 35.047 32.600 -0.097 0.000 1.733 382 M HN 0.587 nan 8.290 nan 0.000 0.462 383 A N 1.872 124.467 122.820 -0.375 0.000 2.549 383 A HA 0.852 5.177 4.320 0.008 0.000 0.297 383 A C -1.926 175.349 177.584 -0.515 0.000 1.061 383 A CA -0.597 51.193 52.037 -0.413 0.000 0.690 383 A CB 1.300 20.216 19.000 -0.140 0.000 1.287 383 A HN 0.777 nan 8.150 nan 0.000 0.402 384 F N 0.620 120.657 119.950 0.144 0.000 2.497 384 F HA 0.884 5.416 4.527 0.010 0.000 0.331 384 F C 1.029 176.939 175.800 0.184 0.000 1.060 384 F CA 0.129 58.199 58.000 0.116 0.000 0.989 384 F CB 2.215 41.276 39.000 0.102 0.000 1.245 384 F HN 0.958 nan 8.300 nan 0.000 0.486 385 G N -0.147 108.899 108.800 0.410 0.000 2.488 385 G HA2 0.523 4.488 3.960 0.008 0.000 0.301 385 G HA3 0.523 4.488 3.960 0.008 0.000 0.301 385 G C -3.366 171.745 174.900 0.352 0.000 1.339 385 G CA -1.401 43.979 45.100 0.467 0.000 0.803 385 G HN 0.265 nan 8.290 nan 0.000 0.482 386 P HA 0.307 nan 4.420 nan 0.000 0.266 386 P C 0.888 178.281 177.300 0.155 0.000 1.186 386 P CA 2.013 65.240 63.100 0.211 0.000 0.767 386 P CB 1.014 32.826 31.700 0.187 0.000 0.820 387 G N 1.126 109.974 108.800 0.080 0.000 4.083 387 G HA2 -0.113 3.852 3.960 0.008 0.000 0.179 387 G HA3 -0.113 3.852 3.960 0.008 0.000 0.179 387 G C -0.162 174.757 174.900 0.031 0.000 2.061 387 G CA -0.441 44.676 45.100 0.027 0.000 1.122 387 G HN 0.435 nan 8.290 nan 0.000 0.350 388 M N 2.307 121.924 119.600 0.029 0.000 2.238 388 M HA 0.472 4.957 4.480 0.008 0.000 0.347 388 M C -0.380 175.906 176.300 -0.023 0.000 1.173 388 M CA 0.659 55.978 55.300 0.032 0.000 1.147 388 M CB 1.162 33.790 32.600 0.045 0.000 1.547 388 M HN 0.256 nan 8.290 nan 0.000 0.455 389 T N 2.748 117.251 114.554 -0.085 0.000 2.797 389 T HA 0.526 4.881 4.350 0.008 0.000 0.279 389 T C -0.606 173.966 174.700 -0.213 0.000 0.991 389 T CA -0.630 61.293 62.100 -0.294 0.000 0.979 389 T CB 1.376 69.751 68.868 -0.822 0.000 0.943 389 T HN 0.379 nan 8.240 nan 0.000 0.444 390 V N 3.694 123.513 119.914 -0.157 0.000 2.409 390 V HA 0.425 4.550 4.120 0.008 0.000 0.291 390 V C -0.400 175.590 176.094 -0.173 0.000 1.020 390 V CA -0.760 61.486 62.300 -0.089 0.000 0.848 390 V CB 1.703 33.552 31.823 0.045 0.000 0.990 390 V HN 0.827 nan 8.190 nan 0.000 0.430 391 D N 3.368 123.665 120.400 -0.172 0.000 2.391 391 D HA 0.795 5.440 4.640 0.008 0.000 0.245 391 D C -0.470 175.805 176.300 -0.042 0.000 1.069 391 D CA 0.112 54.055 54.000 -0.096 0.000 0.831 391 D CB 2.354 43.141 40.800 -0.023 0.000 1.204 391 D HN 0.744 nan 8.370 nan 0.000 0.503 392 A N 2.903 125.748 122.820 0.041 0.000 2.593 392 A HA 0.819 5.144 4.320 0.008 0.000 0.290 392 A C -1.288 176.440 177.584 0.240 0.000 1.126 392 A CA -0.643 51.475 52.037 0.136 0.000 0.695 392 A CB 1.660 20.809 19.000 0.248 0.000 1.290 392 A HN 0.526 nan 8.150 nan 0.000 0.414 393 M N 1.209 120.878 119.600 0.115 0.000 2.324 393 M HA 0.389 4.874 4.480 0.008 0.000 0.288 393 M C -1.129 175.005 176.300 -0.277 0.000 1.097 393 M CA -0.174 55.132 55.300 0.009 0.000 0.928 393 M CB 2.190 34.778 32.600 -0.019 0.000 1.648 393 M HN 0.657 nan 8.290 nan 0.000 0.460 394 L N 4.957 125.894 121.223 -0.477 0.000 2.278 394 L HA 0.556 4.901 4.340 0.008 0.000 0.287 394 L C -1.477 175.224 176.870 -0.281 0.000 1.072 394 L CA -0.357 54.113 54.840 -0.616 0.000 0.819 394 L CB 0.347 41.957 42.059 -0.747 0.000 1.176 394 L HN 0.698 nan 8.230 nan 0.000 0.435 395 L N 4.923 125.997 121.223 -0.248 0.000 2.334 395 L HA 0.485 4.830 4.340 0.008 0.000 0.270 395 L C -0.383 176.578 176.870 0.153 0.000 1.018 395 L CA -0.793 54.053 54.840 0.009 0.000 0.811 395 L CB 1.623 43.761 42.059 0.133 0.000 1.271 395 L HN 0.604 nan 8.230 nan 0.000 0.443 396 H N 1.649 120.825 119.070 0.176 0.000 2.708 396 H HA 0.530 5.090 4.556 0.007 0.000 0.320 396 H C -0.850 174.605 175.328 0.211 0.000 0.991 396 H CA -0.818 55.331 56.048 0.168 0.000 1.243 396 H CB 1.673 31.463 29.762 0.048 0.000 1.446 396 H HN 0.785 nan 8.280 nan 0.000 0.502 397 A N 4.071 126.890 122.820 -0.001 0.000 2.407 397 A HA 0.400 4.725 4.320 0.008 0.000 0.248 397 A C 0.526 177.684 177.584 -0.710 0.000 1.082 397 A CA 0.223 52.024 52.037 -0.393 0.000 0.785 397 A CB 0.386 19.178 19.000 -0.347 0.000 1.020 397 A HN 0.829 nan 8.150 nan 0.000 0.489 398 T N -0.860 113.325 114.554 -0.615 0.000 2.724 398 T HA 0.647 5.002 4.350 0.008 0.000 0.274 398 T C 0.613 175.095 174.700 -0.363 0.000 0.984 398 T CA -0.147 61.676 62.100 -0.462 0.000 1.024 398 T CB 0.448 69.101 68.868 -0.358 0.000 1.320 398 T HN 0.577 nan 8.240 nan 0.000 0.555 399 S N 0.000 115.546 115.700 -0.256 0.000 2.498 399 S HA 0.000 4.475 4.470 0.008 0.000 0.327 399 S CA 0.000 58.073 58.200 -0.212 0.000 1.107 399 S CB 0.000 63.113 63.200 -0.145 0.000 0.593 399 S HN 0.000 nan 8.310 nan 0.000 0.517