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 2cep_1_A DATA FIRST_RESID 2 DATA SEQUENCE TPLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEYDNYIG YGPVLVRLAW DATA SEQUENCE HISGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE GYVRTFFQRL NMNDREVVAL MGAHALGKTH LKNSGYEGPW GAANNVFTNE DATA SEQUENCE FYLNLLNEDW KLEKNDANNE QWDSKSGYIM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDKFFKD FSKAFEKLLE NGITFPKDAP SPFIFKTLEE QGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.671 174.700 -0.048 0.000 1.109 2 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 P HA 0.589 nan 4.420 nan 0.000 0.276 3 P C -0.212 177.020 177.300 -0.114 0.000 1.235 3 P CA -0.639 62.421 63.100 -0.066 0.000 0.772 3 P CB 0.101 31.770 31.700 -0.050 0.000 0.871 4 L N 2.383 123.515 121.223 -0.152 0.000 2.535 4 L HA -0.004 4.337 4.340 0.002 0.000 0.301 4 L C 0.474 177.119 176.870 -0.376 0.000 1.275 4 L CA 0.418 55.085 54.840 -0.288 0.000 0.843 4 L CB -0.708 41.088 42.059 -0.438 0.000 1.094 4 L HN 0.186 nan 8.230 nan 0.000 0.532 5 V N 1.366 121.031 119.914 -0.414 0.000 2.540 5 V HA 0.373 4.494 4.120 0.002 0.000 0.302 5 V C -0.295 175.494 176.094 -0.510 0.000 1.035 5 V CA -0.700 61.388 62.300 -0.352 0.000 0.873 5 V CB 1.851 33.559 31.823 -0.192 0.000 0.992 5 V HN 0.618 nan 8.190 nan 0.000 0.428 6 H N 3.101 121.935 119.070 -0.393 0.000 2.786 6 H HA 0.477 5.034 4.556 0.002 0.000 0.284 6 H C -0.682 174.239 175.328 -0.678 0.000 1.104 6 H CA -0.323 55.218 56.048 -0.847 0.000 1.339 6 H CB 1.818 30.794 29.762 -1.311 0.000 1.427 6 H HN 0.401 nan 8.280 nan 0.000 0.497 7 V N 2.158 121.945 119.914 -0.213 0.000 2.509 7 V HA 0.402 4.523 4.120 0.002 0.000 0.284 7 V C 0.825 176.963 176.094 0.073 0.000 1.047 7 V CA -0.897 61.337 62.300 -0.110 0.000 0.952 7 V CB 1.417 33.211 31.823 -0.048 0.000 0.988 7 V HN 0.835 nan 8.190 nan 0.000 0.469 8 A N 3.630 126.418 122.820 -0.054 0.000 2.450 8 A HA 0.541 4.861 4.320 0.002 0.000 0.255 8 A C 0.351 177.996 177.584 0.102 0.000 1.096 8 A CA 0.076 52.149 52.037 0.060 0.000 0.778 8 A CB 0.465 19.421 19.000 -0.073 0.000 1.031 8 A HN 0.801 nan 8.150 nan 0.000 0.494 9 S N 2.411 118.179 115.700 0.113 0.000 2.707 9 S HA 0.445 4.916 4.470 0.002 0.000 0.312 9 S C -0.355 174.313 174.600 0.114 0.000 1.116 9 S CA -0.572 57.690 58.200 0.102 0.000 1.078 9 S CB 0.515 63.776 63.200 0.101 0.000 0.997 9 S HN 0.722 nan 8.310 nan 0.000 0.477 10 V N 4.721 124.711 119.914 0.127 0.000 2.720 10 V HA 0.022 4.143 4.120 0.002 0.000 0.307 10 V C 0.609 176.824 176.094 0.203 0.000 1.071 10 V CA 0.186 62.596 62.300 0.184 0.000 1.199 10 V CB 0.045 31.981 31.823 0.189 0.000 0.900 10 V HN 0.821 nan 8.190 nan 0.000 0.494 11 E N 3.313 123.698 120.200 0.308 0.000 2.415 11 E HA 0.045 4.395 4.350 0.002 0.000 0.263 11 E C 0.281 176.962 176.600 0.134 0.000 0.995 11 E CA 0.149 56.709 56.400 0.266 0.000 0.915 11 E CB 0.212 30.175 29.700 0.439 0.000 0.951 11 E HN 0.448 nan 8.360 nan 0.000 0.449 12 K N 2.030 122.482 120.400 0.087 0.000 2.437 12 K HA 0.004 4.325 4.320 0.002 0.000 0.277 12 K C 0.737 177.314 176.600 -0.039 0.000 1.073 12 K CA 1.009 57.315 56.287 0.031 0.000 1.105 12 K CB -0.246 32.273 32.500 0.031 0.000 0.881 12 K HN 0.788 nan 8.250 nan 0.000 0.475 13 G N 3.604 112.385 108.800 -0.032 0.000 2.159 13 G HA2 -0.238 3.723 3.960 0.002 0.000 0.256 13 G HA3 -0.238 3.723 3.960 0.002 0.000 0.256 13 G C -0.209 174.602 174.900 -0.148 0.000 0.977 13 G CA -0.102 44.952 45.100 -0.076 0.000 0.652 13 G HN 0.563 nan 8.290 nan 0.000 0.531 14 R N 0.540 120.945 120.500 -0.158 0.000 2.486 14 R HA 0.729 5.070 4.340 0.002 0.000 0.286 14 R C 0.552 176.856 176.300 0.006 0.000 0.999 14 R CA 0.306 56.232 56.100 -0.290 0.000 0.993 14 R CB 1.576 31.469 30.300 -0.678 0.000 1.084 14 R HN 0.611 nan 8.270 nan 0.000 0.487 15 S N 0.526 116.217 115.700 -0.016 0.000 2.823 15 S HA 0.168 4.639 4.470 0.002 0.000 0.316 15 S C 0.949 175.662 174.600 0.187 0.000 1.116 15 S CA -0.719 57.594 58.200 0.189 0.000 0.911 15 S CB 0.358 63.641 63.200 0.138 0.000 1.276 15 S HN 0.648 nan 8.310 nan 0.000 0.565 16 Y N 1.884 122.157 120.300 -0.046 0.000 2.069 16 Y HA -0.213 4.338 4.550 0.002 0.000 0.278 16 Y C 2.047 177.882 175.900 -0.108 0.000 1.175 16 Y CA 2.691 60.539 58.100 -0.420 0.000 1.134 16 Y CB -1.118 37.120 38.460 -0.369 0.000 0.965 16 Y HN 0.804 nan 8.280 nan 0.000 0.498 17 E N 0.424 120.403 120.200 -0.369 0.000 2.118 17 E HA -0.206 4.145 4.350 0.002 0.000 0.195 17 E C 1.912 178.356 176.600 -0.260 0.000 0.992 17 E CA 1.582 57.755 56.400 -0.378 0.000 0.804 17 E CB -0.334 29.268 29.700 -0.164 0.000 0.741 17 E HN 0.605 nan 8.360 nan 0.000 0.458 18 D N -0.115 120.153 120.400 -0.220 0.000 2.097 18 D HA -0.152 4.489 4.640 0.002 0.000 0.195 18 D C 1.787 177.982 176.300 -0.176 0.000 0.989 18 D CA 1.047 54.910 54.000 -0.228 0.000 0.827 18 D CB -0.273 40.204 40.800 -0.538 0.000 0.966 18 D HN 0.200 nan 8.370 nan 0.000 0.456 19 F N 1.041 121.014 119.950 0.039 0.000 2.146 19 F HA -0.120 4.407 4.527 0.001 0.000 0.298 19 F C 2.688 178.274 175.800 -0.356 0.000 1.096 19 F CA 0.623 58.618 58.000 -0.009 0.000 1.275 19 F CB -0.690 38.501 39.000 0.318 0.000 1.008 19 F HN -0.130 nan 8.300 nan 0.000 0.480 20 Q N 1.133 120.807 119.800 -0.210 0.000 2.152 20 Q HA -0.230 4.111 4.340 0.002 0.000 0.206 20 Q C 1.869 177.710 176.000 -0.265 0.000 0.985 20 Q CA 1.931 57.525 55.803 -0.348 0.000 0.863 20 Q CB -0.250 28.230 28.738 -0.429 0.000 0.904 20 Q HN 0.342 nan 8.270 nan 0.000 0.422 21 K N -1.097 119.170 120.400 -0.222 0.000 2.057 21 K HA -0.077 4.244 4.320 0.002 0.000 0.206 21 K C 2.030 178.374 176.600 -0.427 0.000 1.050 21 K CA 1.425 57.612 56.287 -0.166 0.000 0.935 21 K CB -0.149 32.358 32.500 0.013 0.000 0.715 21 K HN 0.055 nan 8.250 nan 0.000 0.439 22 V N 0.915 120.384 119.914 -0.740 0.000 2.332 22 V HA -0.287 3.833 4.120 0.002 0.000 0.248 22 V C 2.083 177.861 176.094 -0.528 0.000 1.055 22 V CA 1.774 63.455 62.300 -1.031 0.000 1.038 22 V CB -0.623 30.664 31.823 -0.894 0.000 0.651 22 V HN 0.273 nan 8.190 nan 0.000 0.450 23 Y N 1.785 121.726 120.300 -0.599 0.000 2.049 23 Y HA -0.309 4.241 4.550 0.001 0.000 0.277 23 Y C 2.415 178.132 175.900 -0.304 0.000 1.143 23 Y CA 2.229 60.014 58.100 -0.525 0.000 1.115 23 Y CB -0.842 37.164 38.460 -0.756 0.000 0.975 23 Y HN 0.325 nan 8.280 nan 0.000 0.487 24 N N -0.078 118.716 118.700 0.157 0.000 2.091 24 N HA -0.290 4.451 4.740 0.002 0.000 0.193 24 N C 1.938 177.436 175.510 -0.021 0.000 1.021 24 N CA 1.055 54.173 53.050 0.114 0.000 0.862 24 N CB -0.400 38.129 38.487 0.070 0.000 1.018 24 N HN 0.527 nan 8.380 nan 0.000 0.429 25 A N 1.072 123.855 122.820 -0.061 0.000 1.930 25 A HA -0.076 4.245 4.320 0.002 0.000 0.217 25 A C 2.110 179.638 177.584 -0.093 0.000 1.175 25 A CA 0.956 52.981 52.037 -0.021 0.000 0.627 25 A CB -0.475 18.600 19.000 0.124 0.000 0.815 25 A HN 0.207 nan 8.150 nan 0.000 0.443 26 I N -0.445 120.024 120.570 -0.169 0.000 2.315 26 I HA -0.227 3.944 4.170 0.002 0.000 0.248 26 I C 2.912 178.983 176.117 -0.077 0.000 1.117 26 I CA 0.851 62.081 61.300 -0.115 0.000 1.404 26 I CB -0.239 37.639 38.000 -0.204 0.000 1.071 26 I HN 0.363 nan 8.210 nan 0.000 0.419 27 A N 0.912 123.614 122.820 -0.198 0.000 1.873 27 A HA -0.140 4.181 4.320 0.002 0.000 0.215 27 A C 2.282 179.852 177.584 -0.024 0.000 1.186 27 A CA 1.307 53.254 52.037 -0.151 0.000 0.616 27 A CB -0.769 18.115 19.000 -0.193 0.000 0.823 27 A HN 0.350 nan 8.150 nan 0.000 0.442 28 L N -0.879 120.333 121.223 -0.019 0.000 2.093 28 L HA -0.146 4.195 4.340 0.002 0.000 0.208 28 L C 2.627 179.499 176.870 0.004 0.000 1.085 28 L CA 1.747 56.589 54.840 0.004 0.000 0.755 28 L CB -0.318 41.740 42.059 -0.001 0.000 0.904 28 L HN 0.427 nan 8.230 nan 0.000 0.435 29 K N 0.308 120.691 120.400 -0.027 0.000 2.217 29 K HA -0.120 4.201 4.320 0.002 0.000 0.202 29 K C 2.103 178.793 176.600 0.150 0.000 1.051 29 K CA 0.728 56.979 56.287 -0.059 0.000 0.952 29 K CB 0.110 32.404 32.500 -0.343 0.000 0.736 29 K HN 0.240 nan 8.250 nan 0.000 0.453 30 L N 0.348 121.705 121.223 0.224 0.000 2.056 30 L HA -0.140 4.201 4.340 0.002 0.000 0.207 30 L C 2.700 179.676 176.870 0.176 0.000 1.078 30 L CA 1.139 56.128 54.840 0.248 0.000 0.749 30 L CB -0.351 41.773 42.059 0.107 0.000 0.901 30 L HN 0.200 nan 8.230 nan 0.000 0.433 31 R N 0.231 120.799 120.500 0.114 0.000 2.105 31 R HA -0.252 4.089 4.340 0.002 0.000 0.239 31 R C 2.197 178.559 176.300 0.104 0.000 1.135 31 R CA 2.099 58.256 56.100 0.096 0.000 0.967 31 R CB -0.116 30.225 30.300 0.067 0.000 0.861 31 R HN 0.440 nan 8.270 nan 0.000 0.442 32 E N -0.120 120.138 120.200 0.096 0.000 2.086 32 E HA -0.108 4.243 4.350 0.002 0.000 0.190 32 E C -0.155 176.514 176.600 0.115 0.000 0.975 32 E CA 0.897 57.347 56.400 0.083 0.000 0.813 32 E CB 0.199 29.921 29.700 0.038 0.000 0.768 32 E HN 0.231 nan 8.360 nan 0.000 0.457 33 D N 1.975 122.476 120.400 0.168 0.000 3.057 33 D HA -0.011 4.630 4.640 0.002 0.000 0.246 33 D C -0.240 176.212 176.300 0.254 0.000 1.238 33 D CA 0.081 54.219 54.000 0.229 0.000 0.949 33 D CB 0.430 41.436 40.800 0.344 0.000 1.086 33 D HN 0.281 nan 8.370 nan 0.000 0.487 34 D N -1.286 119.217 120.400 0.171 0.000 2.363 34 D HA -0.099 4.542 4.640 0.002 0.000 0.226 34 D C 1.065 177.365 176.300 0.000 0.000 1.020 34 D CA 0.271 54.361 54.000 0.149 0.000 0.892 34 D CB 0.140 41.049 40.800 0.181 0.000 0.900 34 D HN 0.018 nan 8.370 nan 0.000 0.531 35 E N -0.935 119.170 120.200 -0.159 0.000 2.400 35 E HA 0.028 4.379 4.350 0.002 0.000 0.195 35 E C -0.027 176.213 176.600 -0.599 0.000 1.012 35 E CA -0.448 55.466 56.400 -0.809 0.000 0.875 35 E CB -0.622 28.770 29.700 -0.512 0.000 0.859 35 E HN 0.577 nan 8.360 nan 0.000 0.498 36 Y N 2.114 122.205 120.300 -0.349 0.000 2.903 36 Y HA -0.005 4.546 4.550 0.001 0.000 0.338 36 Y C 0.526 176.235 175.900 -0.319 0.000 1.265 36 Y CA 0.410 58.290 58.100 -0.368 0.000 1.532 36 Y CB 0.109 38.155 38.460 -0.690 0.000 1.293 36 Y HN 0.085 nan 8.280 nan 0.000 0.609 37 D N 4.910 124.635 120.400 -1.126 0.000 2.737 37 D HA -0.288 4.353 4.640 0.002 0.000 0.238 37 D C -0.418 175.695 176.300 -0.313 0.000 1.157 37 D CA 1.468 55.026 54.000 -0.737 0.000 0.694 37 D CB -1.278 39.060 40.800 -0.769 0.000 1.021 37 D HN 0.802 nan 8.370 nan 0.000 0.420 38 N N 0.152 118.711 118.700 -0.234 0.000 2.740 38 N HA -0.299 4.442 4.740 0.002 0.000 0.248 38 N C 0.010 175.599 175.510 0.131 0.000 1.062 38 N CA 1.337 54.388 53.050 0.002 0.000 0.704 38 N CB -1.542 36.977 38.487 0.053 0.000 0.968 38 N HN 0.656 nan 8.380 nan 0.000 0.547 39 Y N -3.616 116.665 120.300 -0.031 0.000 4.729 39 Y HA -0.279 4.272 4.550 0.002 0.000 0.239 39 Y C 1.553 177.463 175.900 0.017 0.000 1.043 39 Y CA 0.897 59.004 58.100 0.012 0.000 2.045 39 Y CB -2.174 36.297 38.460 0.018 0.000 1.599 39 Y HN 0.391 nan 8.280 nan 0.000 0.655 40 I N -0.381 120.210 120.570 0.035 0.000 2.584 40 I HA 0.196 4.367 4.170 0.002 0.000 0.255 40 I C 1.675 177.841 176.117 0.080 0.000 1.145 40 I CA 1.154 62.489 61.300 0.058 0.000 1.462 40 I CB -0.196 37.820 38.000 0.026 0.000 1.102 40 I HN 0.508 nan 8.210 nan 0.000 0.433 41 G N -0.123 108.721 108.800 0.073 0.000 2.655 41 G HA2 -0.272 3.689 3.960 0.002 0.000 0.680 41 G HA3 -0.272 3.689 3.960 0.002 0.000 0.680 41 G C -0.414 174.573 174.900 0.145 0.000 1.302 41 G CA -0.492 44.690 45.100 0.136 0.000 0.872 41 G HN 0.094 nan 8.290 nan 0.000 0.540 42 Y N 1.688 121.987 120.300 -0.002 0.000 2.457 42 Y HA 0.290 4.840 4.550 0.001 0.000 0.263 42 Y C 2.675 178.424 175.900 -0.252 0.000 1.164 42 Y CA 1.319 59.266 58.100 -0.255 0.000 1.274 42 Y CB 0.305 38.276 38.460 -0.814 0.000 1.097 42 Y HN 0.863 nan 8.280 nan 0.000 0.523 43 G N 1.942 110.737 108.800 -0.008 0.000 2.672 43 G HA2 -0.294 3.667 3.960 0.002 0.000 0.218 43 G HA3 -0.294 3.667 3.960 0.002 0.000 0.218 43 G C -0.555 174.349 174.900 0.006 0.000 1.238 43 G CA 1.213 46.299 45.100 -0.023 0.000 0.791 43 G HN 0.261 nan 8.290 nan 0.000 0.606 44 P HA -0.072 nan 4.420 nan 0.000 0.215 44 P C 2.117 179.471 177.300 0.090 0.000 1.157 44 P CA 1.059 64.210 63.100 0.086 0.000 0.868 44 P CB -0.201 31.571 31.700 0.119 0.000 0.788 45 V N -0.762 119.205 119.914 0.088 0.000 2.759 45 V HA -0.181 3.939 4.120 0.002 0.000 0.256 45 V C 2.004 178.099 176.094 0.001 0.000 1.080 45 V CA 1.498 63.836 62.300 0.063 0.000 1.101 45 V CB -1.047 30.828 31.823 0.087 0.000 0.698 45 V HN 0.009 nan 8.190 nan 0.000 0.477 46 L N -1.117 120.082 121.223 -0.039 0.000 2.072 46 L HA -0.084 4.257 4.340 0.002 0.000 0.205 46 L C 2.492 179.395 176.870 0.056 0.000 1.079 46 L CA 1.207 56.017 54.840 -0.051 0.000 0.752 46 L CB -0.681 41.292 42.059 -0.143 0.000 0.906 46 L HN 0.201 nan 8.230 nan 0.000 0.436 47 V N 0.171 120.138 119.914 0.088 0.000 2.332 47 V HA -0.319 3.802 4.120 0.002 0.000 0.248 47 V C 2.684 178.946 176.094 0.278 0.000 1.055 47 V CA 2.059 64.476 62.300 0.195 0.000 1.038 47 V CB -0.696 31.197 31.823 0.116 0.000 0.651 47 V HN 0.457 nan 8.190 nan 0.000 0.450 48 R N -0.181 120.444 120.500 0.208 0.000 2.081 48 R HA -0.172 4.169 4.340 0.002 0.000 0.235 48 R C 2.266 178.630 176.300 0.107 0.000 1.131 48 R CA 1.777 58.035 56.100 0.264 0.000 0.960 48 R CB -0.359 30.014 30.300 0.121 0.000 0.856 48 R HN 0.477 nan 8.270 nan 0.000 0.436 49 L N 0.494 121.698 121.223 -0.032 0.000 2.083 49 L HA -0.018 4.322 4.340 0.002 0.000 0.209 49 L C 2.214 179.033 176.870 -0.085 0.000 1.083 49 L CA 2.112 56.830 54.840 -0.202 0.000 0.752 49 L CB -0.542 41.364 42.059 -0.255 0.000 0.899 49 L HN 0.225 nan 8.230 nan 0.000 0.433 50 A N -0.238 122.642 122.820 0.100 0.000 1.972 50 A HA -0.247 4.074 4.320 0.002 0.000 0.219 50 A C 2.226 179.948 177.584 0.228 0.000 1.169 50 A CA 1.647 53.786 52.037 0.170 0.000 0.635 50 A CB -1.288 17.870 19.000 0.262 0.000 0.810 50 A HN 0.851 nan 8.150 nan 0.000 0.446 51 W N -0.274 121.156 121.300 0.217 0.000 2.441 51 W HA -0.125 4.536 4.660 0.001 0.000 0.302 51 W C 1.721 178.382 176.519 0.238 0.000 1.191 51 W CA 1.507 59.011 57.345 0.265 0.000 1.327 51 W CB -0.708 28.961 29.460 0.348 0.000 1.128 51 W HN 0.539 nan 8.180 nan 0.000 0.522 52 H N 1.265 119.980 119.070 -0.591 0.000 2.457 52 H HA -0.144 4.413 4.556 0.002 0.000 0.294 52 H C 2.132 177.216 175.328 -0.407 0.000 1.064 52 H CA 1.902 57.530 56.048 -0.700 0.000 1.330 52 H CB 0.178 29.648 29.762 -0.486 0.000 1.395 52 H HN 0.300 nan 8.280 nan 0.000 0.541 53 I N -1.680 118.795 120.570 -0.158 0.000 2.716 53 I HA -0.013 4.158 4.170 0.002 0.000 0.259 53 I C 1.971 178.085 176.117 -0.005 0.000 1.172 53 I CA 0.843 62.104 61.300 -0.064 0.000 1.478 53 I CB -0.129 37.852 38.000 -0.032 0.000 1.104 53 I HN -0.131 nan 8.210 nan 0.000 0.439 54 S N 1.271 116.960 115.700 -0.018 0.000 2.470 54 S HA 0.163 4.634 4.470 0.002 0.000 0.225 54 S C 1.927 176.550 174.600 0.038 0.000 1.006 54 S CA 0.779 58.995 58.200 0.026 0.000 0.934 54 S CB -0.490 62.746 63.200 0.061 0.000 0.778 54 S HN 0.693 nan 8.310 nan 0.000 0.517 55 G N 1.773 110.490 108.800 -0.137 0.000 2.920 55 G HA2 -0.016 3.945 3.960 0.002 0.000 0.208 55 G HA3 -0.016 3.945 3.960 0.002 0.000 0.208 55 G C 1.146 175.994 174.900 -0.086 0.000 1.159 55 G CA 0.884 45.873 45.100 -0.185 0.000 0.784 55 G HN 0.589 nan 8.290 nan 0.000 0.535 56 T N -3.656 110.884 114.554 -0.023 0.000 3.107 56 T HA 0.044 4.395 4.350 0.002 0.000 0.249 56 T C 0.674 175.428 174.700 0.091 0.000 1.096 56 T CA -0.815 61.297 62.100 0.020 0.000 1.012 56 T CB -0.051 68.842 68.868 0.042 0.000 0.977 56 T HN 0.200 nan 8.240 nan 0.000 0.527 57 W N 3.155 124.422 121.300 -0.057 0.000 2.193 57 W HA 0.397 5.058 4.660 0.002 0.000 0.338 57 W C -0.576 175.898 176.519 -0.075 0.000 1.310 57 W CA -0.462 56.858 57.345 -0.041 0.000 1.243 57 W CB 0.412 29.855 29.460 -0.027 0.000 1.165 57 W HN 0.027 nan 8.180 nan 0.000 0.566 58 D N 5.417 125.347 120.400 -0.783 0.000 2.440 58 D HA 0.062 4.703 4.640 0.002 0.000 0.252 58 D C 1.046 176.534 176.300 -1.353 0.000 1.180 58 D CA -0.395 53.127 54.000 -0.796 0.000 0.894 58 D CB 0.981 41.574 40.800 -0.346 0.000 1.111 58 D HN 0.593 nan 8.370 nan 0.000 0.544 59 K N 2.362 121.737 120.400 -1.710 0.000 2.362 59 K HA -0.213 4.108 4.320 0.002 0.000 0.202 59 K C 0.517 176.655 176.600 -0.769 0.000 1.045 59 K CA 1.317 56.700 56.287 -1.506 0.000 0.936 59 K CB -0.176 31.780 32.500 -0.907 0.000 0.747 59 K HN 0.421 nan 8.250 nan 0.000 0.467 60 H N 1.396 120.195 119.070 -0.451 0.000 2.317 60 H HA -0.045 4.512 4.556 0.002 0.000 0.304 60 H C 1.004 176.213 175.328 -0.198 0.000 1.067 60 H CA 1.625 57.523 56.048 -0.251 0.000 1.352 60 H CB 0.067 29.713 29.762 -0.194 0.000 1.398 60 H HN 0.610 nan 8.280 nan 0.000 0.510 61 D N -1.762 118.577 120.400 -0.101 0.000 2.469 61 D HA 0.042 4.683 4.640 0.002 0.000 0.215 61 D C 0.238 176.494 176.300 -0.073 0.000 1.154 61 D CA -0.172 53.787 54.000 -0.068 0.000 0.832 61 D CB -0.084 40.691 40.800 -0.042 0.000 1.008 61 D HN 0.119 nan 8.370 nan 0.000 0.506 62 N N 0.209 118.834 118.700 -0.124 0.000 2.828 62 N HA -0.179 4.562 4.740 0.002 0.000 0.248 62 N C -0.543 175.102 175.510 0.225 0.000 1.044 62 N CA 1.319 54.420 53.050 0.085 0.000 0.851 62 N CB -1.792 36.760 38.487 0.109 0.000 1.136 62 N HN 0.594 nan 8.380 nan 0.000 0.572 63 T N -2.717 111.886 114.554 0.081 0.000 2.828 63 T HA 0.578 4.929 4.350 0.002 0.000 0.290 63 T C 1.294 176.121 174.700 0.213 0.000 1.019 63 T CA 0.419 62.618 62.100 0.166 0.000 1.031 63 T CB 1.376 70.282 68.868 0.064 0.000 1.001 63 T HN 1.081 nan 8.240 nan 0.000 0.531 64 G N 0.248 109.185 108.800 0.228 0.000 2.645 64 G HA2 0.334 4.295 3.960 0.002 0.000 0.246 64 G HA3 0.334 4.295 3.960 0.002 0.000 0.246 64 G C 0.395 175.484 174.900 0.314 0.000 1.322 64 G CA 0.073 45.307 45.100 0.224 0.000 0.898 64 G HN 2.788 nan 8.290 nan 0.000 0.573 65 G N -3.000 105.960 108.800 0.267 0.000 2.710 65 G HA2 0.317 4.278 3.960 0.002 0.000 0.668 65 G HA3 0.317 4.278 3.960 0.002 0.000 0.668 65 G C 1.150 176.108 174.900 0.097 0.000 1.320 65 G CA 1.193 46.393 45.100 0.168 0.000 0.860 65 G HN 2.474 nan 8.290 nan 0.000 0.538 66 S N -1.390 114.336 115.700 0.044 0.000 2.470 66 S HA -0.016 4.455 4.470 0.002 0.000 0.225 66 S C 1.892 176.547 174.600 0.091 0.000 1.006 66 S CA 1.615 59.867 58.200 0.085 0.000 0.934 66 S CB -0.280 62.961 63.200 0.067 0.000 0.778 66 S HN 1.304 nan 8.310 nan 0.000 0.517 67 Y N 3.059 123.297 120.300 -0.103 0.000 2.062 67 Y HA -0.147 4.404 4.550 0.002 0.000 0.276 67 Y C 2.349 178.201 175.900 -0.079 0.000 1.189 67 Y CA 1.802 59.810 58.100 -0.154 0.000 1.130 67 Y CB -0.940 37.308 38.460 -0.354 0.000 0.959 67 Y HN 0.373 nan 8.280 nan 0.000 0.499 68 G N -1.650 107.193 108.800 0.073 0.000 2.985 68 G HA2 0.207 4.168 3.960 0.002 0.000 0.209 68 G HA3 0.207 4.168 3.960 0.002 0.000 0.209 68 G C 1.226 176.184 174.900 0.097 0.000 1.165 68 G CA 0.291 45.443 45.100 0.087 0.000 0.776 68 G HN 0.927 nan 8.290 nan 0.000 0.541 69 G N 0.618 109.488 108.800 0.117 0.000 2.283 69 G HA2 -0.337 3.624 3.960 0.002 0.000 0.280 69 G HA3 -0.337 3.624 3.960 0.002 0.000 0.280 69 G C 1.267 176.304 174.900 0.228 0.000 1.029 69 G CA 1.525 46.738 45.100 0.190 0.000 0.840 69 G HN 1.076 nan 8.290 nan 0.000 0.505 70 T N -3.463 111.249 114.554 0.264 0.000 3.007 70 T HA -0.158 4.193 4.350 0.002 0.000 0.270 70 T C 1.853 176.713 174.700 0.266 0.000 1.107 70 T CA 1.546 63.831 62.100 0.308 0.000 1.118 70 T CB -0.183 68.911 68.868 0.376 0.000 0.889 70 T HN 0.753 nan 8.240 nan 0.000 0.506 71 Y N 3.503 123.909 120.300 0.178 0.000 2.315 71 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 71 Y C 2.493 178.444 175.900 0.084 0.000 1.154 71 Y CA 1.365 59.520 58.100 0.093 0.000 1.229 71 Y CB -0.414 37.980 38.460 -0.111 0.000 0.980 71 Y HN 0.322 nan 8.280 nan 0.000 0.540 72 R N -0.835 119.633 120.500 -0.053 0.000 2.241 72 R HA -0.091 4.250 4.340 0.002 0.000 0.224 72 R C -0.390 175.626 176.300 -0.474 0.000 1.101 72 R CA 0.452 56.365 56.100 -0.311 0.000 0.995 72 R CB -0.794 29.386 30.300 -0.199 0.000 0.870 72 R HN 0.186 nan 8.270 nan 0.000 0.463 73 F N 1.596 121.498 119.950 -0.080 0.000 2.377 73 F HA 0.335 4.863 4.527 0.002 0.000 0.328 73 F C 1.523 177.255 175.800 -0.113 0.000 1.094 73 F CA -1.182 56.767 58.000 -0.084 0.000 1.093 73 F CB 1.150 40.148 39.000 -0.003 0.000 1.214 73 F HN -0.289 nan 8.300 nan 0.000 0.518 74 K N 0.986 121.448 120.400 0.104 0.000 2.044 74 K HA -0.248 4.073 4.320 0.002 0.000 0.210 74 K C 2.056 178.720 176.600 0.107 0.000 1.049 74 K CA 1.878 58.196 56.287 0.051 0.000 0.927 74 K CB -0.102 32.417 32.500 0.032 0.000 0.713 74 K HN 0.549 nan 8.250 nan 0.000 0.443 75 K N 1.354 121.819 120.400 0.108 0.000 2.015 75 K HA -0.272 4.049 4.320 0.002 0.000 0.216 75 K C 2.098 178.768 176.600 0.117 0.000 1.052 75 K CA 2.126 58.471 56.287 0.096 0.000 0.937 75 K CB -0.081 32.465 32.500 0.077 0.000 0.719 75 K HN 0.131 nan 8.250 nan 0.000 0.446 76 E N -0.743 119.548 120.200 0.151 0.000 2.106 76 E HA -0.187 4.164 4.350 0.002 0.000 0.192 76 E C 1.851 178.547 176.600 0.160 0.000 0.984 76 E CA 1.038 57.540 56.400 0.170 0.000 0.806 76 E CB -0.159 29.678 29.700 0.228 0.000 0.750 76 E HN 0.386 nan 8.360 nan 0.000 0.458 77 F N 1.426 121.292 119.950 -0.140 0.000 2.186 77 F HA -0.083 4.445 4.527 0.001 0.000 0.299 77 F C 1.473 177.217 175.800 -0.094 0.000 1.090 77 F CA 1.148 58.947 58.000 -0.335 0.000 1.307 77 F CB 0.157 38.773 39.000 -0.640 0.000 1.019 77 F HN 0.009 nan 8.300 nan 0.000 0.489 78 N N 0.573 119.343 118.700 0.116 0.000 2.314 78 N HA -0.045 4.696 4.740 0.002 0.000 0.200 78 N C -0.456 175.084 175.510 0.050 0.000 1.135 78 N CA 0.170 53.264 53.050 0.073 0.000 0.835 78 N CB -0.582 37.968 38.487 0.104 0.000 0.989 78 N HN 0.247 nan 8.380 nan 0.000 0.478 79 D N 1.574 122.009 120.400 0.057 0.000 2.434 79 D HA 0.041 4.682 4.640 0.002 0.000 0.252 79 D C -1.414 174.918 176.300 0.053 0.000 1.185 79 D CA -1.719 52.319 54.000 0.064 0.000 0.886 79 D CB 1.494 42.343 40.800 0.083 0.000 1.148 79 D HN 0.022 nan 8.370 nan 0.000 0.483 80 P HA -0.137 nan 4.420 nan 0.000 0.217 80 P C 0.924 178.270 177.300 0.077 0.000 1.151 80 P CA 1.156 64.289 63.100 0.054 0.000 0.849 80 P CB 0.197 31.928 31.700 0.052 0.000 0.787 81 S N -1.384 114.372 115.700 0.093 0.000 2.555 81 S HA -0.023 4.448 4.470 0.002 0.000 0.230 81 S C 1.270 176.008 174.600 0.230 0.000 0.978 81 S CA 0.681 58.969 58.200 0.147 0.000 0.934 81 S CB -0.706 62.553 63.200 0.097 0.000 0.766 81 S HN 0.207 nan 8.310 nan 0.000 0.533 82 N N 1.400 120.185 118.700 0.140 0.000 2.236 82 N HA 0.318 5.059 4.740 0.002 0.000 0.196 82 N C 0.231 175.724 175.510 -0.029 0.000 1.114 82 N CA -0.015 53.086 53.050 0.085 0.000 0.859 82 N CB 0.083 38.633 38.487 0.104 0.000 0.982 82 N HN 0.372 nan 8.380 nan 0.000 0.493 83 A N -0.060 122.764 122.820 0.007 0.000 2.565 83 A HA 0.402 4.723 4.320 0.002 0.000 0.237 83 A C 1.529 179.088 177.584 -0.042 0.000 1.053 83 A CA 0.991 53.016 52.037 -0.020 0.000 0.755 83 A CB -0.373 18.636 19.000 0.016 0.000 0.980 83 A HN 0.475 nan 8.150 nan 0.000 0.506 84 G N 0.946 109.708 108.800 -0.063 0.000 2.268 84 G HA2 -0.260 3.701 3.960 0.002 0.000 0.240 84 G HA3 -0.260 3.701 3.960 0.002 0.000 0.240 84 G C 0.890 175.749 174.900 -0.069 0.000 1.010 84 G CA 0.428 45.485 45.100 -0.070 0.000 0.618 84 G HN 0.771 nan 8.290 nan 0.000 0.516 85 L N 1.845 122.996 121.223 -0.119 0.000 2.217 85 L HA -0.072 4.269 4.340 0.002 0.000 0.211 85 L C 3.178 180.039 176.870 -0.015 0.000 1.107 85 L CA 1.736 56.493 54.840 -0.139 0.000 0.783 85 L CB -0.461 41.422 42.059 -0.293 0.000 0.919 85 L HN 0.602 nan 8.230 nan 0.000 0.442 86 Q N -0.143 119.627 119.800 -0.048 0.000 2.376 86 Q HA -0.211 4.130 4.340 0.002 0.000 0.211 86 Q C 1.129 177.282 176.000 0.255 0.000 0.986 86 Q CA 1.334 57.192 55.803 0.091 0.000 0.886 86 Q CB -0.717 28.024 28.738 0.006 0.000 0.927 86 Q HN 0.575 nan 8.270 nan 0.000 0.457 87 N N 0.967 119.768 118.700 0.169 0.000 2.300 87 N HA -0.034 4.707 4.740 0.002 0.000 0.179 87 N C 1.876 177.508 175.510 0.203 0.000 1.016 87 N CA 1.278 54.450 53.050 0.203 0.000 0.876 87 N CB -0.285 38.310 38.487 0.181 0.000 0.979 87 N HN 0.509 nan 8.380 nan 0.000 0.432 88 G N 0.116 109.005 108.800 0.148 0.000 2.430 88 G HA2 -0.162 3.799 3.960 0.002 0.000 0.216 88 G HA3 -0.162 3.799 3.960 0.002 0.000 0.216 88 G C 1.293 176.330 174.900 0.229 0.000 1.146 88 G CA -0.110 45.048 45.100 0.097 0.000 0.793 88 G HN 0.158 nan 8.290 nan 0.000 0.537 89 F N 2.192 122.244 119.950 0.170 0.000 2.026 89 F HA -0.099 4.429 4.527 0.002 0.000 0.296 89 F C 2.905 178.841 175.800 0.227 0.000 1.133 89 F CA 2.046 60.220 58.000 0.290 0.000 1.188 89 F CB -0.542 38.740 39.000 0.469 0.000 0.968 89 F HN 0.045 nan 8.300 nan 0.000 0.476 90 K N -0.101 120.461 120.400 0.270 0.000 2.113 90 K HA -0.261 4.060 4.320 0.002 0.000 0.208 90 K C 1.976 178.548 176.600 -0.047 0.000 1.047 90 K CA 1.596 57.926 56.287 0.073 0.000 0.928 90 K CB -1.566 31.027 32.500 0.155 0.000 0.716 90 K HN 0.540 nan 8.250 nan 0.000 0.446 91 F N 0.625 120.442 119.950 -0.222 0.000 2.171 91 F HA 0.005 4.533 4.527 0.001 0.000 0.300 91 F C 1.741 177.365 175.800 -0.293 0.000 1.090 91 F CA 1.449 59.202 58.000 -0.412 0.000 1.293 91 F CB -0.056 38.542 39.000 -0.671 0.000 1.013 91 F HN -0.016 nan 8.300 nan 0.000 0.486 92 L N -0.357 120.873 121.223 0.011 0.000 2.418 92 L HA -0.034 4.307 4.340 0.002 0.000 0.218 92 L C 2.220 178.976 176.870 -0.190 0.000 1.125 92 L CA 0.468 55.276 54.840 -0.053 0.000 0.835 92 L CB -0.602 41.516 42.059 0.098 0.000 0.953 92 L HN 0.135 nan 8.230 nan 0.000 0.454 93 E N 0.823 120.852 120.200 -0.284 0.000 2.033 93 E HA -0.232 4.119 4.350 0.002 0.000 0.199 93 E C -0.599 175.895 176.600 -0.176 0.000 1.011 93 E CA 1.828 58.061 56.400 -0.278 0.000 0.815 93 E CB -0.873 28.631 29.700 -0.327 0.000 0.755 93 E HN 0.372 nan 8.360 nan 0.000 0.451 94 P HA -0.190 nan 4.420 nan 0.000 0.216 94 P C 1.390 178.600 177.300 -0.150 0.000 1.150 94 P CA 1.440 64.430 63.100 -0.183 0.000 0.843 94 P CB -0.175 31.384 31.700 -0.235 0.000 0.787 95 I N -1.473 119.006 120.570 -0.151 0.000 2.439 95 I HA -0.196 3.975 4.170 0.002 0.000 0.251 95 I C 2.773 178.927 176.117 0.061 0.000 1.139 95 I CA 1.142 62.417 61.300 -0.041 0.000 1.438 95 I CB -0.845 37.103 38.000 -0.088 0.000 1.085 95 I HN 0.056 nan 8.210 nan 0.000 0.427 96 H N 1.042 120.029 119.070 -0.137 0.000 2.357 96 H HA -0.150 4.407 4.556 0.002 0.000 0.301 96 H C 2.425 177.662 175.328 -0.151 0.000 1.082 96 H CA 1.140 57.094 56.048 -0.156 0.000 1.342 96 H CB 0.368 30.022 29.762 -0.180 0.000 1.389 96 H HN -0.012 nan 8.280 nan 0.000 0.511 97 K N 0.391 120.746 120.400 -0.074 0.000 2.211 97 K HA -0.164 4.157 4.320 0.002 0.000 0.204 97 K C 1.882 178.378 176.600 -0.174 0.000 1.047 97 K CA 1.515 57.715 56.287 -0.145 0.000 0.935 97 K CB -0.190 32.230 32.500 -0.134 0.000 0.728 97 K HN 0.574 nan 8.250 nan 0.000 0.452 98 E N -1.638 118.445 120.200 -0.195 0.000 2.230 98 E HA 0.013 4.364 4.350 0.002 0.000 0.192 98 E C -0.463 175.783 176.600 -0.590 0.000 0.987 98 E CA 0.533 56.683 56.400 -0.418 0.000 0.841 98 E CB 0.280 29.652 29.700 -0.545 0.000 0.783 98 E HN 0.438 nan 8.360 nan 0.000 0.481 99 F N 0.418 120.228 119.950 -0.233 0.000 2.531 99 F HA 0.313 4.841 4.527 0.001 0.000 0.333 99 F C -2.025 173.447 175.800 -0.547 0.000 1.292 99 F CA -2.139 55.568 58.000 -0.488 0.000 1.184 99 F CB 1.688 40.301 39.000 -0.646 0.000 1.426 99 F HN -0.030 nan 8.300 nan 0.000 0.559 100 P HA -0.127 nan 4.420 nan 0.000 0.230 100 P C 1.436 178.704 177.300 -0.055 0.000 1.158 100 P CA 1.049 64.031 63.100 -0.198 0.000 0.769 100 P CB -0.117 31.497 31.700 -0.144 0.000 0.807 101 W N -0.833 120.507 121.300 0.066 0.000 2.905 101 W HA 0.246 4.907 4.660 0.001 0.000 0.251 101 W C 0.451 177.045 176.519 0.125 0.000 1.305 101 W CA -0.595 56.791 57.345 0.067 0.000 1.465 101 W CB -1.073 28.413 29.460 0.043 0.000 1.122 101 W HN -0.130 nan 8.180 nan 0.000 0.659 102 I N 3.989 124.475 120.570 -0.140 0.000 2.529 102 I HA 0.030 4.201 4.170 0.002 0.000 0.284 102 I C 1.123 177.320 176.117 0.134 0.000 1.082 102 I CA -0.027 61.246 61.300 -0.044 0.000 1.406 102 I CB 1.010 38.721 38.000 -0.481 0.000 1.405 102 I HN -0.094 nan 8.210 nan 0.000 0.548 103 S N 4.327 120.116 115.700 0.147 0.000 2.608 103 S HA 0.149 4.620 4.470 0.002 0.000 0.261 103 S C 1.097 175.600 174.600 -0.160 0.000 1.314 103 S CA -0.351 57.873 58.200 0.040 0.000 0.992 103 S CB 1.445 64.639 63.200 -0.009 0.000 0.935 103 S HN 0.742 nan 8.310 nan 0.000 0.564 104 S N 1.448 116.997 115.700 -0.252 0.000 2.351 104 S HA -0.030 4.440 4.470 0.002 0.000 0.220 104 S C 2.176 176.299 174.600 -0.795 0.000 1.035 104 S CA 1.466 59.258 58.200 -0.680 0.000 1.031 104 S CB -1.320 61.618 63.200 -0.435 0.000 0.928 104 S HN 0.957 nan 8.310 nan 0.000 0.433 105 G N 1.155 109.756 108.800 -0.332 0.000 2.450 105 G HA2 -0.216 3.745 3.960 0.002 0.000 0.220 105 G HA3 -0.216 3.745 3.960 0.002 0.000 0.220 105 G C 1.020 175.917 174.900 -0.004 0.000 1.130 105 G CA 1.036 46.089 45.100 -0.079 0.000 0.760 105 G HN 0.383 nan 8.290 nan 0.000 0.557 106 D N -0.242 120.148 120.400 -0.017 0.000 2.123 106 D HA -0.040 4.601 4.640 0.002 0.000 0.200 106 D C 2.372 178.764 176.300 0.154 0.000 0.976 106 D CA 0.272 54.427 54.000 0.259 0.000 0.831 106 D CB -0.202 40.837 40.800 0.398 0.000 0.974 106 D HN 0.229 nan 8.370 nan 0.000 0.469 107 L N 0.165 121.287 121.223 -0.168 0.000 1.994 107 L HA -0.130 4.211 4.340 0.002 0.000 0.208 107 L C 1.913 178.740 176.870 -0.072 0.000 1.071 107 L CA 1.565 56.245 54.840 -0.268 0.000 0.745 107 L CB -0.784 40.911 42.059 -0.608 0.000 0.892 107 L HN -0.109 nan 8.230 nan 0.000 0.431 108 F N 0.004 119.943 119.950 -0.019 0.000 2.202 108 F HA -0.187 4.341 4.527 0.001 0.000 0.301 108 F C 2.853 178.672 175.800 0.031 0.000 1.082 108 F CA 1.152 59.164 58.000 0.021 0.000 1.313 108 F CB -1.778 37.259 39.000 0.062 0.000 1.024 108 F HN 0.396 nan 8.300 nan 0.000 0.495 109 S N -0.370 115.490 115.700 0.265 0.000 2.406 109 S HA -0.047 4.424 4.470 0.002 0.000 0.224 109 S C 1.922 176.578 174.600 0.094 0.000 1.030 109 S CA 0.508 58.851 58.200 0.239 0.000 0.958 109 S CB -0.882 62.537 63.200 0.365 0.000 0.811 109 S HN 0.246 nan 8.310 nan 0.000 0.489 110 L N 2.930 124.093 121.223 -0.100 0.000 2.141 110 L HA 0.277 4.618 4.340 0.002 0.000 0.209 110 L C 2.352 179.061 176.870 -0.268 0.000 1.094 110 L CA 1.695 56.213 54.840 -0.538 0.000 0.763 110 L CB -1.439 40.181 42.059 -0.732 0.000 0.908 110 L HN 0.381 nan 8.230 nan 0.000 0.437 111 G N -0.689 108.028 108.800 -0.139 0.000 2.476 111 G HA2 -0.292 3.669 3.960 0.002 0.000 0.218 111 G HA3 -0.292 3.669 3.960 0.002 0.000 0.218 111 G C 1.525 176.405 174.900 -0.034 0.000 1.164 111 G CA 0.727 45.777 45.100 -0.084 0.000 0.768 111 G HN 0.584 nan 8.290 nan 0.000 0.560 112 G N 0.279 109.125 108.800 0.076 0.000 2.421 112 G HA2 -0.159 3.802 3.960 0.002 0.000 0.216 112 G HA3 -0.159 3.802 3.960 0.002 0.000 0.216 112 G C 1.810 176.868 174.900 0.263 0.000 1.171 112 G CA 1.306 46.547 45.100 0.234 0.000 0.775 112 G HN 0.339 nan 8.290 nan 0.000 0.543 113 V N 1.014 121.054 119.914 0.209 0.000 2.332 113 V HA -0.201 3.920 4.120 0.002 0.000 0.248 113 V C 3.179 179.324 176.094 0.084 0.000 1.055 113 V CA 2.404 64.827 62.300 0.205 0.000 1.038 113 V CB -0.974 30.930 31.823 0.134 0.000 0.651 113 V HN 0.405 nan 8.190 nan 0.000 0.450 114 T N 0.310 114.816 114.554 -0.080 0.000 2.708 114 T HA -0.163 4.188 4.350 0.002 0.000 0.266 114 T C 2.089 176.672 174.700 -0.194 0.000 1.037 114 T CA 1.606 63.515 62.100 -0.320 0.000 1.146 114 T CB -0.484 67.986 68.868 -0.663 0.000 0.865 114 T HN 0.579 nan 8.240 nan 0.000 0.435 115 A N 1.214 123.956 122.820 -0.130 0.000 1.859 115 A HA -0.117 4.203 4.320 0.002 0.000 0.217 115 A C 2.611 180.142 177.584 -0.089 0.000 1.198 115 A CA 1.873 53.853 52.037 -0.093 0.000 0.629 115 A CB -1.259 17.704 19.000 -0.062 0.000 0.830 115 A HN 0.334 nan 8.150 nan 0.000 0.446 116 V N -0.091 119.752 119.914 -0.117 0.000 2.255 116 V HA -0.360 3.761 4.120 0.002 0.000 0.247 116 V C 2.714 178.650 176.094 -0.263 0.000 1.051 116 V CA 2.456 64.573 62.300 -0.304 0.000 1.018 116 V CB -1.002 30.563 31.823 -0.430 0.000 0.641 116 V HN 0.656 nan 8.190 nan 0.000 0.445 117 Q N -0.810 118.919 119.800 -0.118 0.000 2.124 117 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 117 Q C 2.235 178.241 176.000 0.010 0.000 0.977 117 Q CA 1.232 57.016 55.803 -0.033 0.000 0.850 117 Q CB -0.134 28.692 28.738 0.147 0.000 0.901 117 Q HN 0.571 nan 8.270 nan 0.000 0.429 118 E N -0.065 120.138 120.200 0.005 0.000 2.427 118 E HA -0.019 4.332 4.350 0.002 0.000 0.196 118 E C 1.022 177.633 176.600 0.018 0.000 1.028 118 E CA 0.602 57.016 56.400 0.023 0.000 0.864 118 E CB 0.153 29.844 29.700 -0.015 0.000 0.813 118 E HN 0.408 nan 8.360 nan 0.000 0.514 119 M N -0.088 119.509 119.600 -0.004 0.000 2.551 119 M HA 0.057 4.537 4.480 0.002 0.000 0.252 119 M C -0.282 176.057 176.300 0.065 0.000 1.219 119 M CA 0.204 55.526 55.300 0.038 0.000 0.978 119 M CB 0.172 32.805 32.600 0.054 0.000 1.533 119 M HN -0.082 nan 8.290 nan 0.000 0.474 120 Q N -1.038 118.784 119.800 0.037 0.000 2.493 120 Q HA -0.138 4.203 4.340 0.002 0.000 0.260 120 Q C 0.481 176.473 176.000 -0.014 0.000 0.905 120 Q CA 0.329 56.167 55.803 0.058 0.000 1.140 120 Q CB -1.880 26.930 28.738 0.122 0.000 1.435 120 Q HN 0.772 nan 8.270 nan 0.000 0.581 121 G N 0.924 109.576 108.800 -0.247 0.000 2.570 121 G HA2 0.457 4.418 3.960 0.002 0.000 0.276 121 G HA3 0.457 4.418 3.960 0.002 0.000 0.276 121 G C -2.100 172.401 174.900 -0.665 0.000 1.346 121 G CA -0.575 44.066 45.100 -0.765 0.000 1.034 121 G HN 0.096 nan 8.290 nan 0.000 0.512 122 P HA 0.249 nan 4.420 nan 0.000 0.276 122 P C -0.729 176.436 177.300 -0.225 0.000 1.252 122 P CA -0.609 62.241 63.100 -0.416 0.000 0.802 122 P CB 0.880 32.341 31.700 -0.399 0.000 1.035 123 K N 1.289 121.638 120.400 -0.084 0.000 2.368 123 K HA 0.273 4.594 4.320 0.002 0.000 0.282 123 K C 0.086 176.685 176.600 -0.001 0.000 1.035 123 K CA -0.288 55.989 56.287 -0.017 0.000 0.973 123 K CB 0.028 32.529 32.500 0.001 0.000 0.957 123 K HN 0.389 nan 8.250 nan 0.000 0.474 124 I N 5.942 126.546 120.570 0.056 0.000 2.328 124 I HA 0.239 4.410 4.170 0.002 0.000 0.287 124 I C -2.179 174.003 176.117 0.108 0.000 1.012 124 I CA -3.215 58.149 61.300 0.106 0.000 1.195 124 I CB 0.777 38.906 38.000 0.216 0.000 1.350 124 I HN 0.148 nan 8.210 nan 0.000 0.464 125 P HA 0.062 nan 4.420 nan 0.000 0.268 125 P C -0.961 176.390 177.300 0.085 0.000 1.204 125 P CA 0.082 63.182 63.100 -0.001 0.000 0.768 125 P CB 0.548 32.202 31.700 -0.077 0.000 0.842 126 W N 4.394 125.604 121.300 -0.151 0.000 2.864 126 W HA 0.542 5.203 4.660 0.002 0.000 0.343 126 W C -0.891 175.470 176.519 -0.263 0.000 1.109 126 W CA -0.717 56.563 57.345 -0.108 0.000 1.192 126 W CB 1.739 31.277 29.460 0.131 0.000 1.426 126 W HN 0.181 nan 8.180 nan 0.000 0.529 127 R N 3.535 123.343 120.500 -1.152 0.000 2.599 127 R HA 0.549 4.890 4.340 0.002 0.000 0.295 127 R C -0.371 174.866 176.300 -1.772 0.000 0.963 127 R CA -0.701 54.615 56.100 -1.306 0.000 0.883 127 R CB 1.234 30.864 30.300 -1.116 0.000 1.171 127 R HN 0.670 nan 8.270 nan 0.000 0.450 128 C N -0.504 117.985 119.300 -1.352 0.000 2.347 128 C HA 0.916 5.377 4.460 0.002 0.000 0.366 128 C C 1.382 176.198 174.990 -0.290 0.000 1.241 128 C CA 0.452 58.932 59.018 -0.896 0.000 2.360 128 C CB 0.590 27.986 27.740 -0.573 0.000 2.290 128 C HN 1.040 nan 8.230 nan 0.000 0.587 129 G N 0.343 109.104 108.800 -0.065 0.000 2.367 129 G HA2 -0.094 3.867 3.960 0.002 0.000 0.181 129 G HA3 -0.094 3.867 3.960 0.002 0.000 0.181 129 G C 0.082 174.954 174.900 -0.047 0.000 1.000 129 G CA -0.395 44.725 45.100 0.033 0.000 0.693 129 G HN 0.918 nan 8.290 nan 0.000 0.480 130 R N 0.029 120.452 120.500 -0.127 0.000 2.756 130 R HA 0.482 4.823 4.340 0.002 0.000 0.264 130 R C -0.341 175.667 176.300 -0.488 0.000 1.026 130 R CA 0.296 56.145 56.100 -0.418 0.000 1.121 130 R CB 1.058 31.203 30.300 -0.259 0.000 0.999 130 R HN 0.094 nan 8.270 nan 0.000 0.449 131 V N 1.972 121.357 119.914 -0.882 0.000 2.709 131 V HA 0.104 4.225 4.120 0.002 0.000 0.308 131 V C -0.751 175.157 176.094 -0.310 0.000 1.062 131 V CA -0.967 61.089 62.300 -0.407 0.000 0.901 131 V CB 2.235 33.906 31.823 -0.254 0.000 1.003 131 V HN 0.683 nan 8.190 nan 0.000 0.425 132 D N 2.658 122.996 120.400 -0.103 0.000 2.424 132 D HA 0.453 5.093 4.640 0.002 0.000 0.244 132 D C 0.409 176.759 176.300 0.082 0.000 1.134 132 D CA 0.443 54.438 54.000 -0.009 0.000 0.881 132 D CB 1.104 41.912 40.800 0.013 0.000 1.191 132 D HN 0.788 nan 8.370 nan 0.000 0.445 133 T N -1.147 113.508 114.554 0.168 0.000 2.940 133 T HA 0.706 5.057 4.350 0.002 0.000 0.288 133 T C -2.720 172.166 174.700 0.311 0.000 1.045 133 T CA -2.041 60.196 62.100 0.228 0.000 1.018 133 T CB 1.844 70.870 68.868 0.263 0.000 1.151 133 T HN 0.047 nan 8.240 nan 0.000 0.529 134 P HA 0.208 nan 4.420 nan 0.000 0.275 134 P C 0.602 177.847 177.300 -0.091 0.000 1.228 134 P CA -0.277 62.898 63.100 0.126 0.000 0.786 134 P CB 0.871 32.598 31.700 0.045 0.000 0.927 135 E N 1.572 121.360 120.200 -0.686 0.000 2.352 135 E HA -0.267 4.084 4.350 0.002 0.000 0.203 135 E C 0.889 177.138 176.600 -0.585 0.000 1.024 135 E CA 1.627 57.073 56.400 -1.591 0.000 0.842 135 E CB -0.102 28.755 29.700 -1.404 0.000 0.753 135 E HN 0.448 nan 8.360 nan 0.000 0.508 136 D N -0.730 119.507 120.400 -0.271 0.000 2.340 136 D HA -0.082 4.559 4.640 0.002 0.000 0.220 136 D C 1.361 177.644 176.300 -0.029 0.000 1.039 136 D CA 1.056 54.983 54.000 -0.122 0.000 0.866 136 D CB -0.178 40.573 40.800 -0.082 0.000 0.913 136 D HN 0.192 nan 8.370 nan 0.000 0.523 137 T N -3.291 111.273 114.554 0.017 0.000 3.086 137 T HA 0.095 4.446 4.350 0.002 0.000 0.250 137 T C 0.622 175.402 174.700 0.133 0.000 1.074 137 T CA -0.352 61.810 62.100 0.103 0.000 0.988 137 T CB -0.685 68.285 68.868 0.170 0.000 0.988 137 T HN -0.092 nan 8.240 nan 0.000 0.530 138 T N 5.404 120.023 114.554 0.109 0.000 2.817 138 T HA 0.301 4.652 4.350 0.002 0.000 0.295 138 T C -2.530 172.236 174.700 0.111 0.000 0.958 138 T CA -0.911 61.285 62.100 0.159 0.000 1.157 138 T CB 0.638 69.601 68.868 0.159 0.000 0.898 138 T HN 0.244 nan 8.240 nan 0.000 0.536 139 P HA 0.180 nan 4.420 nan 0.000 0.271 139 P C -0.074 177.272 177.300 0.076 0.000 1.216 139 P CA -0.444 62.710 63.100 0.090 0.000 0.776 139 P CB 0.549 32.304 31.700 0.092 0.000 0.881 140 D N 1.816 122.249 120.400 0.055 0.000 2.368 140 D HA 0.055 4.696 4.640 0.002 0.000 0.240 140 D C 0.448 176.779 176.300 0.052 0.000 1.169 140 D CA 0.326 54.355 54.000 0.049 0.000 0.906 140 D CB 0.414 41.236 40.800 0.036 0.000 1.187 140 D HN 0.299 nan 8.370 nan 0.000 0.435 141 N N -0.304 118.428 118.700 0.053 0.000 2.381 141 N HA 0.286 5.027 4.740 0.002 0.000 0.241 141 N C 1.260 176.801 175.510 0.051 0.000 1.279 141 N CA 0.610 53.692 53.050 0.054 0.000 0.896 141 N CB 0.719 39.238 38.487 0.054 0.000 1.118 141 N HN 0.657 nan 8.380 nan 0.000 0.438 142 G N -0.045 108.788 108.800 0.055 0.000 2.184 142 G HA2 -0.248 3.713 3.960 0.002 0.000 0.206 142 G HA3 -0.248 3.713 3.960 0.002 0.000 0.206 142 G C 0.743 175.695 174.900 0.086 0.000 0.995 142 G CA -0.130 45.011 45.100 0.069 0.000 0.651 142 G HN 0.558 nan 8.290 nan 0.000 0.511 143 R N -0.479 120.062 120.500 0.069 0.000 2.317 143 R HA 0.387 4.728 4.340 0.002 0.000 0.208 143 R C 0.897 177.302 176.300 0.175 0.000 0.914 143 R CA 0.027 56.184 56.100 0.095 0.000 1.060 143 R CB 0.296 30.618 30.300 0.037 0.000 1.015 143 R HN 0.377 nan 8.270 nan 0.000 0.498 144 L N 2.610 123.879 121.223 0.077 0.000 2.379 144 L HA 0.364 4.705 4.340 0.002 0.000 0.269 144 L C -1.928 174.930 176.870 -0.020 0.000 1.084 144 L CA -2.257 52.569 54.840 -0.023 0.000 0.802 144 L CB 0.894 42.776 42.059 -0.296 0.000 1.175 144 L HN -0.142 nan 8.230 nan 0.000 0.448 145 P HA 0.130 nan 4.420 nan 0.000 0.278 145 P C -1.318 175.976 177.300 -0.009 0.000 1.238 145 P CA -0.521 62.354 63.100 -0.374 0.000 0.794 145 P CB 1.013 32.038 31.700 -1.125 0.000 0.955 146 D N 1.173 121.613 120.400 0.067 0.000 2.339 146 D HA 0.222 4.863 4.640 0.002 0.000 0.245 146 D C 1.043 177.347 176.300 0.007 0.000 1.115 146 D CA -0.207 53.794 54.000 0.001 0.000 0.917 146 D CB 1.097 41.819 40.800 -0.131 0.000 1.192 146 D HN 0.370 nan 8.370 nan 0.000 0.428 147 A N 1.117 123.973 122.820 0.060 0.000 2.220 147 A HA -0.036 4.285 4.320 0.002 0.000 0.211 147 A C 0.644 178.251 177.584 0.039 0.000 1.176 147 A CA 0.007 52.069 52.037 0.043 0.000 0.834 147 A CB 0.073 19.043 19.000 -0.050 0.000 0.868 147 A HN 0.479 nan 8.150 nan 0.000 0.488 148 D N 0.279 120.708 120.400 0.047 0.000 3.060 148 D HA 0.183 4.824 4.640 0.002 0.000 0.245 148 D C 0.141 176.439 176.300 -0.003 0.000 1.274 148 D CA 0.053 54.096 54.000 0.071 0.000 0.864 148 D CB 0.090 40.945 40.800 0.091 0.000 1.073 148 D HN 0.130 nan 8.370 nan 0.000 0.473 149 K N 0.220 120.609 120.400 -0.018 0.000 2.213 149 K HA 0.344 4.665 4.320 0.002 0.000 0.254 149 K C -0.121 176.557 176.600 0.130 0.000 1.062 149 K CA -0.615 55.648 56.287 -0.040 0.000 0.884 149 K CB 1.108 33.391 32.500 -0.362 0.000 1.437 149 K HN 0.183 nan 8.250 nan 0.000 0.464 150 D N -1.386 119.130 120.400 0.193 0.000 2.506 150 D HA 0.344 4.985 4.640 0.002 0.000 0.254 150 D C 0.706 177.191 176.300 0.309 0.000 1.089 150 D CA -0.559 53.582 54.000 0.236 0.000 1.050 150 D CB 0.994 41.911 40.800 0.195 0.000 1.221 150 D HN 0.345 nan 8.370 nan 0.000 0.589 151 A N -0.117 122.872 122.820 0.281 0.000 1.986 151 A HA -0.031 4.289 4.320 0.002 0.000 0.220 151 A C 1.983 179.756 177.584 0.314 0.000 1.171 151 A CA 2.302 54.551 52.037 0.353 0.000 0.640 151 A CB -1.346 17.834 19.000 0.300 0.000 0.811 151 A HN 0.696 nan 8.150 nan 0.000 0.451 152 G N -2.322 106.621 108.800 0.239 0.000 2.430 152 G HA2 -0.118 3.843 3.960 0.002 0.000 0.216 152 G HA3 -0.118 3.843 3.960 0.002 0.000 0.216 152 G C 1.456 176.498 174.900 0.235 0.000 1.146 152 G CA 0.978 46.191 45.100 0.189 0.000 0.793 152 G HN 0.562 nan 8.290 nan 0.000 0.537 153 Y N 1.517 121.927 120.300 0.183 0.000 2.097 153 Y HA -0.177 4.374 4.550 0.002 0.000 0.282 153 Y C 2.756 178.825 175.900 0.282 0.000 1.152 153 Y CA 1.809 60.028 58.100 0.198 0.000 1.136 153 Y CB -0.370 38.191 38.460 0.167 0.000 0.975 153 Y HN 0.027 nan 8.280 nan 0.000 0.498 154 V N 0.957 121.072 119.914 0.335 0.000 2.407 154 V HA -0.294 3.827 4.120 0.002 0.000 0.248 154 V C 2.530 178.907 176.094 0.473 0.000 1.055 154 V CA 2.241 64.778 62.300 0.395 0.000 1.049 154 V CB -0.763 31.322 31.823 0.438 0.000 0.662 154 V HN 0.373 nan 8.190 nan 0.000 0.455 155 R N -0.227 120.503 120.500 0.383 0.000 2.062 155 R HA -0.158 4.183 4.340 0.002 0.000 0.231 155 R C 2.460 178.893 176.300 0.221 0.000 1.136 155 R CA 2.183 58.475 56.100 0.320 0.000 0.948 155 R CB -0.631 29.775 30.300 0.176 0.000 0.845 155 R HN 0.475 nan 8.270 nan 0.000 0.430 156 T N 0.819 115.453 114.554 0.134 0.000 2.580 156 T HA -0.220 4.131 4.350 0.002 0.000 0.265 156 T C 1.386 176.084 174.700 -0.003 0.000 1.063 156 T CA 1.841 63.971 62.100 0.051 0.000 1.170 156 T CB -0.508 68.374 68.868 0.023 0.000 0.863 156 T HN 0.325 nan 8.240 nan 0.000 0.418 157 F N 0.985 120.808 119.950 -0.213 0.000 2.065 157 F HA -0.159 4.369 4.527 0.002 0.000 0.298 157 F C 1.796 177.483 175.800 -0.188 0.000 1.112 157 F CA 1.472 59.293 58.000 -0.299 0.000 1.212 157 F CB -0.577 38.092 39.000 -0.551 0.000 0.975 157 F HN 0.131 nan 8.300 nan 0.000 0.476 158 F N 0.238 120.238 119.950 0.084 0.000 2.365 158 F HA -0.149 4.379 4.527 0.002 0.000 0.300 158 F C 2.462 178.256 175.800 -0.010 0.000 1.090 158 F CA 1.021 59.070 58.000 0.081 0.000 1.408 158 F CB -0.646 38.488 39.000 0.223 0.000 1.060 158 F HN 0.063 nan 8.300 nan 0.000 0.534 159 Q N 0.162 120.022 119.800 0.100 0.000 2.123 159 Q HA -0.140 4.201 4.340 0.002 0.000 0.199 159 Q C 2.337 178.294 176.000 -0.072 0.000 0.966 159 Q CA 0.963 56.793 55.803 0.045 0.000 0.845 159 Q CB -0.416 28.343 28.738 0.035 0.000 0.907 159 Q HN 0.341 nan 8.270 nan 0.000 0.439 160 R N 0.067 120.445 120.500 -0.204 0.000 2.241 160 R HA -0.046 4.295 4.340 0.002 0.000 0.224 160 R C 1.306 177.440 176.300 -0.277 0.000 1.101 160 R CA 0.633 56.546 56.100 -0.311 0.000 0.995 160 R CB 0.075 30.130 30.300 -0.407 0.000 0.870 160 R HN 0.212 nan 8.270 nan 0.000 0.463 161 L N -0.222 120.949 121.223 -0.086 0.000 2.728 161 L HA 0.155 4.496 4.340 0.002 0.000 0.238 161 L C 0.047 177.115 176.870 0.331 0.000 1.143 161 L CA -0.207 54.767 54.840 0.223 0.000 0.937 161 L CB 0.160 42.370 42.059 0.252 0.000 1.225 161 L HN 0.182 nan 8.230 nan 0.000 0.507 162 N N 0.062 118.866 118.700 0.173 0.000 2.782 162 N HA -0.158 4.583 4.740 0.002 0.000 0.251 162 N C -0.242 175.371 175.510 0.171 0.000 1.101 162 N CA 0.815 53.969 53.050 0.173 0.000 0.764 162 N CB -0.392 38.253 38.487 0.262 0.000 1.122 162 N HN 0.100 nan 8.380 nan 0.000 0.561 163 M N 0.465 120.195 119.600 0.218 0.000 2.363 163 M HA 0.323 4.804 4.480 0.002 0.000 0.343 163 M C 0.894 177.290 176.300 0.159 0.000 1.165 163 M CA -0.587 54.829 55.300 0.193 0.000 1.046 163 M CB 1.277 34.049 32.600 0.286 0.000 1.648 163 M HN 0.269 nan 8.290 nan 0.000 0.452 164 N N 1.190 119.958 118.700 0.113 0.000 2.431 164 N HA 0.185 4.925 4.740 0.002 0.000 0.289 164 N C 0.138 175.721 175.510 0.120 0.000 1.277 164 N CA -0.246 52.867 53.050 0.105 0.000 0.972 164 N CB 0.290 38.823 38.487 0.076 0.000 1.143 164 N HN 0.368 nan 8.380 nan 0.000 0.578 165 D N -0.633 119.847 120.400 0.133 0.000 2.097 165 D HA -0.146 4.495 4.640 0.002 0.000 0.195 165 D C 1.799 178.201 176.300 0.171 0.000 0.989 165 D CA 1.296 55.433 54.000 0.228 0.000 0.827 165 D CB -0.246 40.651 40.800 0.162 0.000 0.966 165 D HN 0.660 nan 8.370 nan 0.000 0.456 166 R N 1.030 121.599 120.500 0.115 0.000 2.091 166 R HA -0.152 4.189 4.340 0.002 0.000 0.238 166 R C 1.890 178.271 176.300 0.134 0.000 1.136 166 R CA 1.502 57.672 56.100 0.118 0.000 0.959 166 R CB 0.020 30.381 30.300 0.101 0.000 0.856 166 R HN 0.217 nan 8.270 nan 0.000 0.437 167 E N -0.238 120.008 120.200 0.077 0.000 2.047 167 E HA -0.137 4.214 4.350 0.002 0.000 0.191 167 E C 2.074 178.623 176.600 -0.085 0.000 0.987 167 E CA 1.443 57.859 56.400 0.027 0.000 0.799 167 E CB -0.001 29.716 29.700 0.028 0.000 0.752 167 E HN 0.148 nan 8.360 nan 0.000 0.449 168 V N 1.297 121.104 119.914 -0.177 0.000 2.332 168 V HA -0.233 3.888 4.120 0.002 0.000 0.248 168 V C 2.346 178.232 176.094 -0.346 0.000 1.055 168 V CA 1.414 63.409 62.300 -0.508 0.000 1.038 168 V CB -0.368 31.174 31.823 -0.468 0.000 0.651 168 V HN 0.132 nan 8.190 nan 0.000 0.450 169 V N 0.145 119.984 119.914 -0.125 0.000 2.453 169 V HA -0.166 3.955 4.120 0.002 0.000 0.247 169 V C 2.655 178.918 176.094 0.281 0.000 1.048 169 V CA 1.676 63.994 62.300 0.030 0.000 1.049 169 V CB -1.049 30.823 31.823 0.083 0.000 0.672 169 V HN 0.543 nan 8.190 nan 0.000 0.457 170 A N -0.090 122.930 122.820 0.334 0.000 1.902 170 A HA -0.132 4.189 4.320 0.002 0.000 0.217 170 A C 2.227 180.055 177.584 0.406 0.000 1.181 170 A CA 1.646 53.948 52.037 0.441 0.000 0.623 170 A CB -0.497 18.683 19.000 0.299 0.000 0.818 170 A HN 0.484 nan 8.150 nan 0.000 0.443 171 L N -1.899 119.365 121.223 0.069 0.000 2.093 171 L HA -0.153 4.188 4.340 0.002 0.000 0.208 171 L C 2.709 179.495 176.870 -0.140 0.000 1.085 171 L CA 1.540 56.354 54.840 -0.043 0.000 0.755 171 L CB -0.348 41.566 42.059 -0.242 0.000 0.904 171 L HN 0.422 nan 8.230 nan 0.000 0.435 172 M N -0.008 119.400 119.600 -0.320 0.000 2.358 172 M HA -0.069 4.412 4.480 0.002 0.000 0.264 172 M C 1.734 177.435 176.300 -0.998 0.000 1.064 172 M CA 1.183 56.075 55.300 -0.680 0.000 1.093 172 M CB -0.441 31.838 32.600 -0.534 0.000 1.401 172 M HN 0.127 nan 8.290 nan 0.000 0.440 173 G N -1.111 107.378 108.800 -0.519 0.000 2.990 173 G HA2 0.168 4.129 3.960 0.002 0.000 0.206 173 G HA3 0.168 4.129 3.960 0.002 0.000 0.206 173 G C 1.254 175.700 174.900 -0.756 0.000 1.169 173 G CA 0.563 45.088 45.100 -0.958 0.000 0.819 173 G HN 0.579 nan 8.290 nan 0.000 0.517 174 A N -0.312 122.141 122.820 -0.611 0.000 2.167 174 A HA 0.093 4.414 4.320 0.002 0.000 0.214 174 A C 1.657 178.900 177.584 -0.569 0.000 1.151 174 A CA 0.481 52.260 52.037 -0.430 0.000 0.735 174 A CB -0.509 18.377 19.000 -0.191 0.000 0.802 174 A HN 0.592 nan 8.150 nan 0.000 0.467 175 H N -0.858 117.548 119.070 -1.106 0.000 2.567 175 H HA 0.085 4.642 4.556 0.002 0.000 0.276 175 H C 2.152 176.886 175.328 -0.990 0.000 1.016 175 H CA 0.137 55.263 56.048 -1.536 0.000 1.186 175 H CB 0.206 28.656 29.762 -2.187 0.000 1.351 175 H HN 0.593 nan 8.280 nan 0.000 0.605 176 A N 0.811 123.305 122.820 -0.544 0.000 2.067 176 A HA -0.012 4.309 4.320 0.002 0.000 0.219 176 A C 0.936 178.430 177.584 -0.149 0.000 1.158 176 A CA 0.488 52.362 52.037 -0.270 0.000 0.661 176 A CB -0.136 18.646 19.000 -0.364 0.000 0.801 176 A HN 0.193 nan 8.150 nan 0.000 0.452 177 L N -1.116 120.006 121.223 -0.168 0.000 2.343 177 L HA 0.591 4.932 4.340 0.002 0.000 0.275 177 L C 1.196 178.132 176.870 0.111 0.000 1.056 177 L CA 0.098 54.927 54.840 -0.018 0.000 0.804 177 L CB 0.938 42.989 42.059 -0.012 0.000 1.203 177 L HN 0.541 nan 8.230 nan 0.000 0.440 178 G N 2.378 111.266 108.800 0.146 0.000 2.562 178 G HA2 -0.210 3.751 3.960 0.002 0.000 0.250 178 G HA3 -0.210 3.751 3.960 0.002 0.000 0.250 178 G C -0.734 174.326 174.900 0.268 0.000 1.269 178 G CA 0.288 45.510 45.100 0.204 0.000 0.919 178 G HN 1.020 nan 8.290 nan 0.000 0.574 179 K N -2.580 117.951 120.400 0.218 0.000 2.680 179 K HA 0.675 4.996 4.320 0.002 0.000 0.295 179 K C -0.248 176.175 176.600 -0.294 0.000 1.052 179 K CA -0.291 55.931 56.287 -0.109 0.000 0.863 179 K CB 0.577 32.921 32.500 -0.260 0.000 1.549 179 K HN 1.402 nan 8.250 nan 0.000 0.391 180 T N -1.076 113.144 114.554 -0.555 0.000 2.874 180 T HA 0.510 4.861 4.350 0.002 0.000 0.281 180 T C -0.662 173.831 174.700 -0.344 0.000 0.994 180 T CA -0.433 61.502 62.100 -0.274 0.000 1.015 180 T CB 0.498 69.216 68.868 -0.251 0.000 1.028 180 T HN 0.606 nan 8.240 nan 0.000 0.523 181 H N 0.133 119.198 119.070 -0.008 0.000 2.856 181 H HA 0.419 4.976 4.556 0.001 0.000 0.355 181 H C 0.484 175.812 175.328 0.000 0.000 1.079 181 H CA -0.879 55.160 56.048 -0.016 0.000 1.240 181 H CB 1.536 31.291 29.762 -0.011 0.000 1.701 181 H HN 0.495 nan 8.280 nan 0.000 0.527 182 L N 1.822 123.091 121.223 0.078 0.000 2.043 182 L HA -0.176 4.165 4.340 0.002 0.000 0.212 182 L C 1.845 178.736 176.870 0.035 0.000 1.075 182 L CA 1.794 56.651 54.840 0.027 0.000 0.752 182 L CB -0.133 41.918 42.059 -0.014 0.000 0.891 182 L HN 0.502 nan 8.230 nan 0.000 0.432 183 K N -0.421 120.010 120.400 0.053 0.000 2.147 183 K HA -0.110 4.211 4.320 0.002 0.000 0.205 183 K C 1.844 178.466 176.600 0.037 0.000 1.049 183 K CA 1.237 57.544 56.287 0.033 0.000 0.936 183 K CB -0.516 32.001 32.500 0.029 0.000 0.722 183 K HN 0.449 nan 8.250 nan 0.000 0.446 184 N N 0.403 119.140 118.700 0.062 0.000 2.182 184 N HA -0.079 4.662 4.740 0.002 0.000 0.186 184 N C 1.706 177.271 175.510 0.093 0.000 1.036 184 N CA 1.759 54.846 53.050 0.061 0.000 0.850 184 N CB -0.205 38.317 38.487 0.058 0.000 1.010 184 N HN 0.196 nan 8.380 nan 0.000 0.432 185 S N -1.950 113.832 115.700 0.137 0.000 2.559 185 S HA 0.395 4.866 4.470 0.002 0.000 0.226 185 S C 1.221 175.872 174.600 0.084 0.000 1.000 185 S CA 0.309 58.615 58.200 0.177 0.000 0.948 185 S CB 0.841 64.228 63.200 0.312 0.000 0.870 185 S HN 0.448 nan 8.310 nan 0.000 0.497 186 G N 0.353 109.134 108.800 -0.031 0.000 2.143 186 G HA2 -0.244 3.717 3.960 0.002 0.000 0.249 186 G HA3 -0.244 3.717 3.960 0.002 0.000 0.249 186 G C -0.272 174.310 174.900 -0.530 0.000 0.981 186 G CA 0.319 45.275 45.100 -0.240 0.000 0.665 186 G HN 0.574 nan 8.290 nan 0.000 0.528 187 Y N -0.753 119.539 120.300 -0.012 0.000 2.536 187 Y HA 0.723 5.274 4.550 0.001 0.000 0.347 187 Y C 0.117 175.962 175.900 -0.091 0.000 1.000 187 Y CA -1.165 56.902 58.100 -0.054 0.000 1.051 187 Y CB 2.239 40.656 38.460 -0.071 0.000 1.259 187 Y HN 0.123 nan 8.280 nan 0.000 0.468 188 E N 0.775 121.001 120.200 0.042 0.000 2.290 188 E HA 0.677 5.028 4.350 0.002 0.000 0.274 188 E C -0.662 175.859 176.600 -0.131 0.000 0.889 188 E CA -0.228 56.132 56.400 -0.067 0.000 0.760 188 E CB 1.827 31.494 29.700 -0.056 0.000 1.206 188 E HN 0.922 nan 8.360 nan 0.000 0.419 189 G N 3.808 112.477 108.800 -0.218 0.000 2.484 189 G HA2 0.065 4.026 3.960 0.002 0.000 0.685 189 G HA3 0.065 4.026 3.960 0.002 0.000 0.685 189 G C -3.068 171.612 174.900 -0.367 0.000 1.294 189 G CA -0.502 44.471 45.100 -0.212 0.000 0.879 189 G HN 0.477 nan 8.290 nan 0.000 0.646 190 P HA 0.360 nan 4.420 nan 0.000 0.283 190 P C 0.365 177.558 177.300 -0.178 0.000 1.278 190 P CA -0.670 62.302 63.100 -0.212 0.000 0.834 190 P CB 1.179 32.873 31.700 -0.010 0.000 1.150 191 W N 0.144 121.425 121.300 -0.031 0.000 2.863 191 W HA 0.218 4.879 4.660 0.001 0.000 0.258 191 W C 0.954 177.299 176.519 -0.290 0.000 1.298 191 W CA 0.637 57.969 57.345 -0.022 0.000 1.451 191 W CB 0.336 29.818 29.460 0.037 0.000 1.107 191 W HN 0.497 nan 8.180 nan 0.000 0.641 192 G N -1.494 107.139 108.800 -0.279 0.000 2.634 192 G HA2 0.430 4.391 3.960 0.002 0.000 0.309 192 G HA3 0.430 4.391 3.960 0.002 0.000 0.309 192 G C -0.077 174.551 174.900 -0.453 0.000 1.299 192 G CA 0.075 44.702 45.100 -0.790 0.000 0.798 192 G HN -0.132 nan 8.290 nan 0.000 0.490 193 A N -1.097 121.568 122.820 -0.258 0.000 1.973 193 A HA 0.647 4.968 4.320 0.002 0.000 0.210 193 A C 1.676 179.270 177.584 0.017 0.000 1.200 193 A CA 1.647 53.693 52.037 0.015 0.000 0.707 193 A CB -0.234 18.832 19.000 0.111 0.000 0.862 193 A HN 1.841 nan 8.150 nan 0.000 0.461 194 A N 1.545 124.361 122.820 -0.007 0.000 3.078 194 A HA 0.354 4.675 4.320 0.002 0.000 0.279 194 A C 0.332 177.924 177.584 0.013 0.000 1.594 194 A CA -0.074 51.973 52.037 0.017 0.000 1.301 194 A CB -1.584 17.425 19.000 0.014 0.000 1.162 194 A HN 0.705 nan 8.150 nan 0.000 0.585 195 N N 0.175 118.892 118.700 0.028 0.000 2.362 195 N HA -0.034 4.707 4.740 0.002 0.000 0.211 195 N C 0.271 175.812 175.510 0.051 0.000 1.170 195 N CA 0.311 53.384 53.050 0.038 0.000 0.828 195 N CB 0.039 38.564 38.487 0.063 0.000 1.034 195 N HN 0.488 nan 8.380 nan 0.000 0.475 196 N N -0.820 117.912 118.700 0.053 0.000 2.232 196 N HA 0.090 4.831 4.740 0.002 0.000 0.240 196 N C -1.288 174.267 175.510 0.074 0.000 1.307 196 N CA -0.373 52.717 53.050 0.067 0.000 0.859 196 N CB 0.482 39.014 38.487 0.076 0.000 1.260 196 N HN -0.016 nan 8.380 nan 0.000 0.501 197 V N 0.779 120.735 119.914 0.069 0.000 2.656 197 V HA 0.478 4.598 4.120 0.002 0.000 0.307 197 V C -1.122 175.029 176.094 0.094 0.000 1.051 197 V CA -0.981 61.377 62.300 0.097 0.000 0.893 197 V CB 1.891 33.767 31.823 0.088 0.000 0.999 197 V HN 0.143 nan 8.190 nan 0.000 0.426 198 F N 4.726 124.673 119.950 -0.004 0.000 2.375 198 F HA 0.629 5.157 4.527 0.001 0.000 0.362 198 F C 0.590 176.490 175.800 0.166 0.000 1.129 198 F CA 0.257 58.235 58.000 -0.036 0.000 1.154 198 F CB 0.678 39.543 39.000 -0.224 0.000 1.205 198 F HN 0.760 nan 8.300 nan 0.000 0.513 199 T N 0.760 115.277 114.554 -0.062 0.000 2.696 199 T HA 0.249 4.600 4.350 0.002 0.000 0.291 199 T C 0.319 175.053 174.700 0.057 0.000 1.095 199 T CA -0.611 61.590 62.100 0.167 0.000 1.026 199 T CB 1.164 70.075 68.868 0.071 0.000 1.390 199 T HN 0.588 nan 8.240 nan 0.000 0.513 200 N N -0.661 118.085 118.700 0.077 0.000 2.370 200 N HA 0.045 4.786 4.740 0.002 0.000 0.198 200 N C 1.263 176.749 175.510 -0.040 0.000 1.156 200 N CA -0.227 52.801 53.050 -0.036 0.000 0.839 200 N CB 0.113 38.620 38.487 0.033 0.000 0.989 200 N HN 0.709 nan 8.380 nan 0.000 0.468 201 E N 0.896 121.050 120.200 -0.076 0.000 2.114 201 E HA -0.294 4.057 4.350 0.002 0.000 0.199 201 E C 1.263 177.805 176.600 -0.098 0.000 1.008 201 E CA 1.319 57.677 56.400 -0.070 0.000 0.810 201 E CB -0.190 29.462 29.700 -0.079 0.000 0.739 201 E HN 0.559 nan 8.360 nan 0.000 0.456 202 F N 0.348 120.055 119.950 -0.404 0.000 2.115 202 F HA -0.295 4.233 4.527 0.001 0.000 0.300 202 F C 1.665 177.218 175.800 -0.412 0.000 1.092 202 F CA 1.812 59.517 58.000 -0.490 0.000 1.245 202 F CB -0.456 38.042 39.000 -0.837 0.000 0.995 202 F HN 0.106 nan 8.300 nan 0.000 0.481 203 Y N -0.059 120.150 120.300 -0.152 0.000 2.263 203 Y HA -0.081 4.470 4.550 0.002 0.000 0.292 203 Y C 2.312 178.123 175.900 -0.148 0.000 1.130 203 Y CA 1.231 59.206 58.100 -0.209 0.000 1.179 203 Y CB -0.958 37.428 38.460 -0.124 0.000 0.998 203 Y HN 0.049 nan 8.280 nan 0.000 0.532 204 L N -0.279 120.966 121.223 0.037 0.000 2.056 204 L HA -0.212 4.129 4.340 0.002 0.000 0.207 204 L C 1.975 178.873 176.870 0.048 0.000 1.078 204 L CA 1.135 55.998 54.840 0.037 0.000 0.749 204 L CB -0.514 41.564 42.059 0.032 0.000 0.901 204 L HN 0.200 nan 8.230 nan 0.000 0.433 205 N N 0.182 118.908 118.700 0.043 0.000 2.106 205 N HA -0.159 4.582 4.740 0.002 0.000 0.188 205 N C 1.934 177.642 175.510 0.331 0.000 1.029 205 N CA 1.114 54.279 53.050 0.191 0.000 0.848 205 N CB -0.446 38.182 38.487 0.235 0.000 1.007 205 N HN 0.214 nan 8.380 nan 0.000 0.423 206 L N 0.571 121.813 121.223 0.032 0.000 2.043 206 L HA -0.156 4.185 4.340 0.002 0.000 0.212 206 L C 1.968 178.921 176.870 0.138 0.000 1.075 206 L CA 1.148 55.960 54.840 -0.046 0.000 0.752 206 L CB -0.212 41.586 42.059 -0.435 0.000 0.891 206 L HN 0.185 nan 8.230 nan 0.000 0.432 207 L N -1.257 120.006 121.223 0.067 0.000 2.095 207 L HA -0.146 4.195 4.340 0.002 0.000 0.204 207 L C 1.835 178.761 176.870 0.093 0.000 1.080 207 L CA 1.398 56.272 54.840 0.057 0.000 0.759 207 L CB -0.429 41.638 42.059 0.014 0.000 0.914 207 L HN 0.346 nan 8.230 nan 0.000 0.439 208 N N -1.266 117.489 118.700 0.091 0.000 2.424 208 N HA -0.009 4.732 4.740 0.002 0.000 0.178 208 N C 0.277 175.776 175.510 -0.018 0.000 1.060 208 N CA -0.080 52.994 53.050 0.040 0.000 0.901 208 N CB 0.450 38.953 38.487 0.027 0.000 0.979 208 N HN 0.244 nan 8.380 nan 0.000 0.451 209 E N 1.210 121.372 120.200 -0.065 0.000 2.345 209 E HA 0.039 4.390 4.350 0.002 0.000 0.259 209 E C -0.777 175.548 176.600 -0.458 0.000 1.117 209 E CA -0.038 56.104 56.400 -0.431 0.000 0.913 209 E CB 0.837 29.941 29.700 -0.994 0.000 1.057 209 E HN 0.057 nan 8.360 nan 0.000 0.432 210 D N 1.176 121.295 120.400 -0.468 0.000 2.454 210 D HA 0.162 4.803 4.640 0.002 0.000 0.225 210 D C -1.322 174.809 176.300 -0.282 0.000 1.081 210 D CA -0.475 53.395 54.000 -0.218 0.000 0.864 210 D CB 0.013 40.740 40.800 -0.122 0.000 1.040 210 D HN 0.191 nan 8.370 nan 0.000 0.517 211 W N 3.963 125.344 121.300 0.134 0.000 2.438 211 W HA 0.428 5.089 4.660 0.002 0.000 0.324 211 W C 0.504 177.204 176.519 0.302 0.000 1.119 211 W CA -0.905 56.570 57.345 0.216 0.000 1.221 211 W CB 1.226 30.825 29.460 0.231 0.000 1.253 211 W HN -0.086 nan 8.180 nan 0.000 0.555 212 K N 3.245 123.925 120.400 0.468 0.000 2.270 212 K HA 0.423 4.744 4.320 0.002 0.000 0.255 212 K C -1.172 175.434 176.600 0.010 0.000 0.936 212 K CA -1.330 55.098 56.287 0.235 0.000 0.809 212 K CB 2.261 34.807 32.500 0.077 0.000 1.131 212 K HN 0.414 nan 8.250 nan 0.000 0.427 213 L N 2.946 123.944 121.223 -0.374 0.000 2.290 213 L HA 0.229 4.570 4.340 0.002 0.000 0.284 213 L C -0.373 176.251 176.870 -0.410 0.000 1.078 213 L CA 0.740 55.074 54.840 -0.844 0.000 0.815 213 L CB 0.293 41.552 42.059 -1.334 0.000 1.162 213 L HN 0.585 nan 8.230 nan 0.000 0.435 214 E N 3.718 123.713 120.200 -0.342 0.000 2.433 214 E HA 0.452 4.803 4.350 0.002 0.000 0.278 214 E C -1.365 175.129 176.600 -0.177 0.000 0.976 214 E CA -1.155 55.126 56.400 -0.199 0.000 0.793 214 E CB 1.696 31.325 29.700 -0.119 0.000 1.311 214 E HN 0.400 nan 8.360 nan 0.000 0.460 215 K N 1.289 121.610 120.400 -0.131 0.000 2.110 215 K HA 0.282 4.603 4.320 0.002 0.000 0.263 215 K C -0.233 176.311 176.600 -0.092 0.000 0.975 215 K CA -0.656 55.565 56.287 -0.110 0.000 0.895 215 K CB 0.740 33.182 32.500 -0.097 0.000 1.060 215 K HN 0.468 nan 8.250 nan 0.000 0.448 216 N N -0.061 118.580 118.700 -0.098 0.000 2.604 216 N HA 0.113 4.854 4.740 0.002 0.000 0.297 216 N C -0.045 175.408 175.510 -0.095 0.000 1.266 216 N CA -0.559 52.437 53.050 -0.091 0.000 0.961 216 N CB 0.408 38.838 38.487 -0.094 0.000 1.166 216 N HN 0.348 nan 8.380 nan 0.000 0.601 217 D N -1.006 119.344 120.400 -0.083 0.000 2.351 217 D HA -0.051 4.590 4.640 0.002 0.000 0.216 217 D C 0.744 176.991 176.300 -0.088 0.000 0.968 217 D CA 0.961 54.917 54.000 -0.074 0.000 0.899 217 D CB -0.214 40.552 40.800 -0.057 0.000 0.907 217 D HN 0.672 nan 8.370 nan 0.000 0.514 218 A N 0.468 123.212 122.820 -0.126 0.000 2.308 218 A HA 0.087 4.408 4.320 0.002 0.000 0.217 218 A C 0.789 178.292 177.584 -0.135 0.000 1.216 218 A CA 0.013 51.968 52.037 -0.135 0.000 0.864 218 A CB -0.210 18.679 19.000 -0.184 0.000 0.902 218 A HN 0.148 nan 8.150 nan 0.000 0.499 219 N N -0.306 118.319 118.700 -0.126 0.000 2.815 219 N HA -0.125 4.616 4.740 0.002 0.000 0.248 219 N C -1.289 174.148 175.510 -0.122 0.000 1.110 219 N CA 0.804 53.791 53.050 -0.105 0.000 0.699 219 N CB -1.528 36.911 38.487 -0.080 0.000 1.040 219 N HN 0.524 nan 8.380 nan 0.000 0.555 220 N N 0.545 119.144 118.700 -0.168 0.000 2.265 220 N HA 0.293 5.034 4.740 0.002 0.000 0.300 220 N C -0.907 174.537 175.510 -0.110 0.000 1.148 220 N CA -0.463 52.482 53.050 -0.175 0.000 0.772 220 N CB 1.121 39.364 38.487 -0.406 0.000 1.434 220 N HN 0.205 nan 8.380 nan 0.000 0.481 221 E N 1.110 121.288 120.200 -0.036 0.000 2.283 221 E HA 0.206 4.557 4.350 0.002 0.000 0.278 221 E C -0.332 176.295 176.600 0.045 0.000 1.027 221 E CA -0.359 56.002 56.400 -0.064 0.000 0.843 221 E CB 1.188 30.815 29.700 -0.122 0.000 1.062 221 E HN 0.460 nan 8.360 nan 0.000 0.401 222 Q N 1.559 121.319 119.800 -0.067 0.000 2.456 222 Q HA 0.430 4.771 4.340 0.002 0.000 0.283 222 Q C -1.349 174.518 176.000 -0.221 0.000 1.084 222 Q CA -1.049 54.753 55.803 -0.002 0.000 0.801 222 Q CB 1.191 30.026 28.738 0.161 0.000 1.434 222 Q HN 0.411 nan 8.270 nan 0.000 0.419 223 W N 1.453 122.725 121.300 -0.046 0.000 2.331 223 W HA 0.375 5.035 4.660 0.001 0.000 0.306 223 W C -0.790 175.868 176.519 0.231 0.000 1.162 223 W CA 0.034 57.367 57.345 -0.021 0.000 1.232 223 W CB 1.199 30.482 29.460 -0.296 0.000 1.235 223 W HN 0.448 nan 8.180 nan 0.000 0.479 224 D N 1.935 122.605 120.400 0.450 0.000 2.278 224 D HA 0.267 4.908 4.640 0.002 0.000 0.245 224 D C -0.105 176.352 176.300 0.262 0.000 1.052 224 D CA -0.316 53.881 54.000 0.328 0.000 0.834 224 D CB 1.851 42.718 40.800 0.111 0.000 1.194 224 D HN 0.209 nan 8.370 nan 0.000 0.481 225 S N 0.238 115.949 115.700 0.018 0.000 2.681 225 S HA 0.329 4.800 4.470 0.002 0.000 0.299 225 S C 1.082 175.506 174.600 -0.293 0.000 1.113 225 S CA -0.590 57.354 58.200 -0.427 0.000 1.013 225 S CB 1.797 64.394 63.200 -1.005 0.000 1.076 225 S HN 0.216 nan 8.310 nan 0.000 0.534 226 K N 0.539 120.748 120.400 -0.317 0.000 2.366 226 K HA 0.139 4.459 4.320 0.002 0.000 0.198 226 K C 1.624 178.048 176.600 -0.293 0.000 1.044 226 K CA 1.074 57.219 56.287 -0.236 0.000 0.973 226 K CB -1.516 30.875 32.500 -0.181 0.000 0.767 226 K HN 0.584 nan 8.250 nan 0.000 0.475 227 S N 0.368 115.791 115.700 -0.461 0.000 2.603 227 S HA 0.251 4.722 4.470 0.002 0.000 0.229 227 S C 1.542 175.741 174.600 -0.667 0.000 0.972 227 S CA 0.574 58.403 58.200 -0.618 0.000 0.935 227 S CB -0.348 62.274 63.200 -0.964 0.000 0.769 227 S HN 0.984 nan 8.310 nan 0.000 0.536 228 G N 0.323 108.855 108.800 -0.448 0.000 2.157 228 G HA2 -0.250 3.711 3.960 0.002 0.000 0.248 228 G HA3 -0.250 3.711 3.960 0.002 0.000 0.248 228 G C -0.101 174.750 174.900 -0.082 0.000 0.979 228 G CA -0.081 44.881 45.100 -0.231 0.000 0.650 228 G HN 0.429 nan 8.290 nan 0.000 0.529 229 Y N -0.001 120.302 120.300 0.005 0.000 2.340 229 Y HA 0.743 5.294 4.550 0.001 0.000 0.327 229 Y C 1.020 177.070 175.900 0.250 0.000 1.321 229 Y CA -1.472 56.694 58.100 0.110 0.000 1.433 229 Y CB 0.490 39.085 38.460 0.225 0.000 1.373 229 Y HN 0.511 nan 8.280 nan 0.000 0.538 230 I N -0.892 119.928 120.570 0.416 0.000 3.145 230 I HA 0.743 4.914 4.170 0.002 0.000 0.313 230 I C -1.270 174.895 176.117 0.079 0.000 1.122 230 I CA -1.092 60.368 61.300 0.266 0.000 0.987 230 I CB 2.558 40.528 38.000 -0.050 0.000 1.236 230 I HN 0.279 nan 8.210 nan 0.000 0.453 231 M N 3.979 123.570 119.600 -0.015 0.000 2.277 231 M HA 0.468 4.949 4.480 0.002 0.000 0.282 231 M C -1.090 175.267 176.300 0.095 0.000 1.074 231 M CA -0.232 55.023 55.300 -0.076 0.000 0.954 231 M CB 2.078 34.377 32.600 -0.502 0.000 1.672 231 M HN 0.645 nan 8.290 nan 0.000 0.471 232 L N 3.473 124.784 121.223 0.147 0.000 2.475 232 L HA 0.325 4.666 4.340 0.002 0.000 0.253 232 L C -1.272 175.728 176.870 0.217 0.000 1.198 232 L CA -1.511 53.353 54.840 0.040 0.000 0.814 232 L CB -0.019 41.976 42.059 -0.106 0.000 1.134 232 L HN 0.423 nan 8.230 nan 0.000 0.478 233 P HA -0.191 nan 4.420 nan 0.000 0.215 233 P C 1.498 178.948 177.300 0.249 0.000 1.157 233 P CA 1.843 65.138 63.100 0.326 0.000 0.874 233 P CB -0.203 31.639 31.700 0.238 0.000 0.790 234 T N -3.469 111.193 114.554 0.180 0.000 2.833 234 T HA -0.160 4.191 4.350 0.002 0.000 0.269 234 T C 1.448 176.240 174.700 0.154 0.000 1.054 234 T CA 1.460 63.668 62.100 0.180 0.000 1.135 234 T CB -1.029 67.950 68.868 0.185 0.000 0.869 234 T HN 0.056 nan 8.240 nan 0.000 0.466 235 D N 0.196 120.707 120.400 0.185 0.000 2.091 235 D HA -0.039 4.602 4.640 0.002 0.000 0.199 235 D C 1.786 178.086 176.300 0.001 0.000 0.980 235 D CA 0.993 55.107 54.000 0.190 0.000 0.831 235 D CB -0.590 40.400 40.800 0.317 0.000 0.987 235 D HN 0.380 nan 8.370 nan 0.000 0.460 236 Y N 2.156 122.350 120.300 -0.177 0.000 2.193 236 Y HA -0.281 4.270 4.550 0.001 0.000 0.285 236 Y C 2.526 178.281 175.900 -0.242 0.000 1.166 236 Y CA 1.684 59.533 58.100 -0.418 0.000 1.181 236 Y CB -0.536 37.536 38.460 -0.646 0.000 0.976 236 Y HN -0.038 nan 8.280 nan 0.000 0.520 237 S N -0.370 115.321 115.700 -0.015 0.000 2.462 237 S HA -0.198 4.273 4.470 0.002 0.000 0.243 237 S C 1.859 176.459 174.600 -0.001 0.000 1.003 237 S CA 1.419 59.640 58.200 0.035 0.000 0.970 237 S CB -0.906 62.395 63.200 0.168 0.000 0.762 237 S HN 0.554 nan 8.310 nan 0.000 0.510 238 L N 0.903 122.066 121.223 -0.101 0.000 2.376 238 L HA 0.123 4.464 4.340 0.002 0.000 0.219 238 L C 2.151 178.964 176.870 -0.095 0.000 1.133 238 L CA 1.052 55.845 54.840 -0.078 0.000 0.816 238 L CB -0.543 41.440 42.059 -0.126 0.000 0.933 238 L HN 0.565 nan 8.230 nan 0.000 0.449 239 I N -5.027 115.369 120.570 -0.291 0.000 4.057 239 I HA 0.025 4.196 4.170 0.002 0.000 0.334 239 I C 1.867 177.849 176.117 -0.224 0.000 1.308 239 I CA 0.101 61.233 61.300 -0.280 0.000 1.125 239 I CB -0.062 37.686 38.000 -0.420 0.000 1.034 239 I HN 0.166 nan 8.210 nan 0.000 0.401 240 Q N 1.492 121.178 119.800 -0.190 0.000 2.096 240 Q HA -0.007 4.334 4.340 0.002 0.000 0.197 240 Q C 0.676 176.663 176.000 -0.022 0.000 0.964 240 Q CA 0.896 56.646 55.803 -0.088 0.000 0.838 240 Q CB 0.058 28.781 28.738 -0.025 0.000 0.906 240 Q HN 0.505 nan 8.270 nan 0.000 0.444 241 D N 0.890 121.303 120.400 0.022 0.000 2.348 241 D HA 0.019 4.660 4.640 0.002 0.000 0.253 241 D C -1.748 174.540 176.300 -0.020 0.000 1.161 241 D CA -1.910 52.088 54.000 -0.003 0.000 0.876 241 D CB 1.516 42.313 40.800 -0.004 0.000 1.160 241 D HN -0.054 nan 8.370 nan 0.000 0.459 242 P HA -0.108 nan 4.420 nan 0.000 0.218 242 P C 0.961 178.229 177.300 -0.054 0.000 1.149 242 P CA 1.068 64.139 63.100 -0.047 0.000 0.817 242 P CB 0.563 32.234 31.700 -0.048 0.000 0.785 243 K N -1.211 119.130 120.400 -0.098 0.000 2.031 243 K HA -0.117 4.204 4.320 0.002 0.000 0.205 243 K C 2.363 178.960 176.600 -0.006 0.000 1.049 243 K CA 1.256 57.483 56.287 -0.101 0.000 0.939 243 K CB -0.606 31.773 32.500 -0.203 0.000 0.717 243 K HN 0.032 nan 8.250 nan 0.000 0.438 244 Y N 0.855 121.127 120.300 -0.047 0.000 2.181 244 Y HA -0.172 4.379 4.550 0.002 0.000 0.288 244 Y C 2.118 177.968 175.900 -0.084 0.000 1.146 244 Y CA 0.634 58.701 58.100 -0.054 0.000 1.164 244 Y CB -0.790 37.651 38.460 -0.032 0.000 0.982 244 Y HN 0.033 nan 8.280 nan 0.000 0.515 245 L N 0.116 121.386 121.223 0.079 0.000 2.083 245 L HA -0.176 4.165 4.340 0.002 0.000 0.209 245 L C 2.297 179.132 176.870 -0.058 0.000 1.083 245 L CA 2.179 57.008 54.840 -0.018 0.000 0.752 245 L CB -0.859 41.173 42.059 -0.045 0.000 0.899 245 L HN 0.202 nan 8.230 nan 0.000 0.433 246 S N -0.720 114.945 115.700 -0.058 0.000 2.423 246 S HA -0.105 4.366 4.470 0.002 0.000 0.231 246 S C 1.928 176.430 174.600 -0.163 0.000 1.014 246 S CA 1.396 59.539 58.200 -0.094 0.000 0.965 246 S CB -0.902 62.250 63.200 -0.080 0.000 0.785 246 S HN 0.560 nan 8.310 nan 0.000 0.495 247 I N 1.444 121.911 120.570 -0.172 0.000 2.286 247 I HA -0.088 4.083 4.170 0.002 0.000 0.245 247 I C 2.371 178.189 176.117 -0.499 0.000 1.104 247 I CA 0.570 61.652 61.300 -0.365 0.000 1.397 247 I CB -0.631 37.203 38.000 -0.275 0.000 1.072 247 I HN 0.130 nan 8.210 nan 0.000 0.417 248 V N 1.325 121.084 119.914 -0.257 0.000 2.278 248 V HA -0.378 3.743 4.120 0.002 0.000 0.251 248 V C 2.488 178.437 176.094 -0.241 0.000 1.062 248 V CA 2.124 64.309 62.300 -0.192 0.000 1.038 248 V CB -0.819 30.994 31.823 -0.017 0.000 0.646 248 V HN 0.420 nan 8.190 nan 0.000 0.447 249 K N -0.434 119.853 120.400 -0.188 0.000 2.057 249 K HA -0.219 4.102 4.320 0.002 0.000 0.207 249 K C 2.265 178.763 176.600 -0.170 0.000 1.049 249 K CA 1.651 57.854 56.287 -0.140 0.000 0.931 249 K CB -0.234 32.202 32.500 -0.107 0.000 0.714 249 K HN 0.536 nan 8.250 nan 0.000 0.440 250 E N -0.156 119.882 120.200 -0.271 0.000 2.153 250 E HA -0.199 4.152 4.350 0.002 0.000 0.194 250 E C 1.460 177.971 176.600 -0.149 0.000 0.988 250 E CA 1.149 57.404 56.400 -0.240 0.000 0.811 250 E CB 0.102 29.592 29.700 -0.350 0.000 0.746 250 E HN 0.319 nan 8.360 nan 0.000 0.466 251 Y N -0.466 119.654 120.300 -0.301 0.000 2.365 251 Y HA 0.119 4.670 4.550 0.002 0.000 0.293 251 Y C 2.164 177.885 175.900 -0.298 0.000 1.119 251 Y CA 0.511 58.350 58.100 -0.435 0.000 1.203 251 Y CB -0.801 36.977 38.460 -1.136 0.000 1.026 251 Y HN 0.096 nan 8.280 nan 0.000 0.549 252 A N 0.149 122.925 122.820 -0.073 0.000 1.969 252 A HA -0.156 4.165 4.320 0.002 0.000 0.218 252 A C 2.077 179.663 177.584 0.004 0.000 1.169 252 A CA 1.634 53.681 52.037 0.017 0.000 0.635 252 A CB -0.447 18.563 19.000 0.018 0.000 0.810 252 A HN 0.379 nan 8.150 nan 0.000 0.445 253 N N -0.657 118.036 118.700 -0.013 0.000 2.395 253 N HA -0.028 4.713 4.740 0.002 0.000 0.175 253 N C -0.604 174.910 175.510 0.006 0.000 1.029 253 N CA 0.840 53.885 53.050 -0.009 0.000 0.897 253 N CB 0.268 38.739 38.487 -0.026 0.000 0.991 253 N HN 0.449 nan 8.380 nan 0.000 0.441 254 D N -0.100 120.321 120.400 0.035 0.000 2.323 254 D HA 0.050 4.691 4.640 0.002 0.000 0.242 254 D C 0.554 176.895 176.300 0.067 0.000 1.347 254 D CA -0.288 53.737 54.000 0.042 0.000 0.988 254 D CB 0.926 41.758 40.800 0.053 0.000 1.314 254 D HN -0.092 nan 8.370 nan 0.000 0.564 255 Q N 2.310 122.100 119.800 -0.017 0.000 2.170 255 Q HA -0.175 4.166 4.340 0.002 0.000 0.203 255 Q C 0.343 176.210 176.000 -0.222 0.000 0.976 255 Q CA 1.855 57.596 55.803 -0.103 0.000 0.858 255 Q CB 0.299 28.882 28.738 -0.258 0.000 0.907 255 Q HN 0.474 nan 8.270 nan 0.000 0.433 256 D N 0.061 120.370 120.400 -0.151 0.000 2.078 256 D HA -0.179 4.462 4.640 0.002 0.000 0.193 256 D C 1.695 178.027 176.300 0.052 0.000 0.990 256 D CA 1.608 55.558 54.000 -0.084 0.000 0.827 256 D CB -0.015 40.770 40.800 -0.024 0.000 0.975 256 D HN 0.085 nan 8.370 nan 0.000 0.451 257 K N 0.035 120.491 120.400 0.094 0.000 2.034 257 K HA -0.218 4.103 4.320 0.002 0.000 0.214 257 K C 1.904 178.605 176.600 0.169 0.000 1.051 257 K CA 1.220 57.608 56.287 0.168 0.000 0.931 257 K CB -0.727 31.913 32.500 0.234 0.000 0.715 257 K HN 0.147 nan 8.250 nan 0.000 0.446 258 F N 0.323 120.226 119.950 -0.079 0.000 2.095 258 F HA -0.167 4.361 4.527 0.001 0.000 0.298 258 F C 1.724 177.531 175.800 0.011 0.000 1.104 258 F CA 1.414 59.123 58.000 -0.484 0.000 1.232 258 F CB -0.725 38.047 39.000 -0.379 0.000 0.987 258 F HN 0.028 nan 8.300 nan 0.000 0.475 259 F N 1.167 120.904 119.950 -0.355 0.000 2.095 259 F HA -0.164 4.363 4.527 0.001 0.000 0.298 259 F C 2.453 178.135 175.800 -0.195 0.000 1.104 259 F CA 1.656 59.436 58.000 -0.367 0.000 1.232 259 F CB -1.351 37.571 39.000 -0.130 0.000 0.987 259 F HN 0.004 nan 8.300 nan 0.000 0.475 260 K N -0.017 120.446 120.400 0.105 0.000 2.026 260 K HA -0.181 4.140 4.320 0.002 0.000 0.208 260 K C 1.773 178.398 176.600 0.041 0.000 1.048 260 K CA 1.769 58.096 56.287 0.066 0.000 0.929 260 K CB -0.305 32.241 32.500 0.077 0.000 0.713 260 K HN 0.077 nan 8.250 nan 0.000 0.439 261 D N 0.110 120.537 120.400 0.045 0.000 2.097 261 D HA -0.171 4.470 4.640 0.002 0.000 0.195 261 D C 1.623 177.943 176.300 0.033 0.000 0.989 261 D CA 0.934 54.976 54.000 0.071 0.000 0.827 261 D CB -0.259 40.650 40.800 0.181 0.000 0.966 261 D HN 0.087 nan 8.370 nan 0.000 0.456 262 F N 1.000 120.808 119.950 -0.237 0.000 2.171 262 F HA -0.205 4.323 4.527 0.002 0.000 0.300 262 F C 2.525 178.256 175.800 -0.115 0.000 1.090 262 F CA 1.312 59.175 58.000 -0.229 0.000 1.293 262 F CB -0.208 38.486 39.000 -0.511 0.000 1.013 262 F HN -0.156 nan 8.300 nan 0.000 0.486 263 S N 0.143 115.872 115.700 0.049 0.000 2.359 263 S HA -0.274 4.197 4.470 0.002 0.000 0.222 263 S C 2.135 176.721 174.600 -0.023 0.000 1.038 263 S CA 1.977 60.193 58.200 0.026 0.000 1.051 263 S CB -0.337 62.871 63.200 0.013 0.000 0.944 263 S HN 0.441 nan 8.310 nan 0.000 0.433 264 K N 0.606 120.991 120.400 -0.026 0.000 2.032 264 K HA -0.043 4.278 4.320 0.002 0.000 0.209 264 K C 2.374 178.943 176.600 -0.052 0.000 1.048 264 K CA 1.338 57.607 56.287 -0.031 0.000 0.927 264 K CB -0.421 32.074 32.500 -0.009 0.000 0.712 264 K HN 0.423 nan 8.250 nan 0.000 0.441 265 A N 0.526 123.301 122.820 -0.075 0.000 1.930 265 A HA -0.160 4.161 4.320 0.002 0.000 0.217 265 A C 1.978 179.503 177.584 -0.097 0.000 1.175 265 A CA 1.101 53.088 52.037 -0.083 0.000 0.627 265 A CB -0.584 18.363 19.000 -0.089 0.000 0.815 265 A HN 0.322 nan 8.150 nan 0.000 0.443 266 F N 0.671 120.352 119.950 -0.448 0.000 2.146 266 F HA -0.070 4.458 4.527 0.002 0.000 0.298 266 F C 2.158 177.865 175.800 -0.156 0.000 1.096 266 F CA 1.700 59.449 58.000 -0.419 0.000 1.275 266 F CB -0.449 38.119 39.000 -0.719 0.000 1.008 266 F HN 0.454 nan 8.300 nan 0.000 0.480 267 E N 0.382 120.513 120.200 -0.116 0.000 2.038 267 E HA -0.323 4.028 4.350 0.002 0.000 0.195 267 E C 2.384 178.898 176.600 -0.143 0.000 1.000 267 E CA 1.811 58.130 56.400 -0.136 0.000 0.803 267 E CB -0.316 29.334 29.700 -0.083 0.000 0.750 267 E HN 0.393 nan 8.360 nan 0.000 0.448 268 K N 0.302 120.640 120.400 -0.103 0.000 2.074 268 K HA -0.225 4.096 4.320 0.002 0.000 0.209 268 K C 2.321 178.859 176.600 -0.103 0.000 1.048 268 K CA 1.523 57.756 56.287 -0.090 0.000 0.926 268 K CB -0.304 32.167 32.500 -0.048 0.000 0.713 268 K HN 0.209 nan 8.250 nan 0.000 0.444 269 L N 1.239 122.418 121.223 -0.073 0.000 2.042 269 L HA -0.151 4.190 4.340 0.002 0.000 0.210 269 L C 1.915 178.729 176.870 -0.094 0.000 1.076 269 L CA 1.598 56.429 54.840 -0.015 0.000 0.749 269 L CB -0.174 41.934 42.059 0.081 0.000 0.893 269 L HN 0.252 nan 8.230 nan 0.000 0.432 270 L N -1.155 119.962 121.223 -0.177 0.000 2.313 270 L HA -0.048 4.293 4.340 0.002 0.000 0.214 270 L C 1.979 178.775 176.870 -0.123 0.000 1.119 270 L CA 0.754 55.496 54.840 -0.163 0.000 0.809 270 L CB -0.291 41.631 42.059 -0.227 0.000 0.933 270 L HN 0.342 nan 8.230 nan 0.000 0.449 271 E N -0.831 119.289 120.200 -0.134 0.000 2.474 271 E HA 0.039 4.390 4.350 0.002 0.000 0.195 271 E C 0.010 176.469 176.600 -0.235 0.000 1.039 271 E CA -0.392 55.965 56.400 -0.073 0.000 0.881 271 E CB 0.313 30.026 29.700 0.022 0.000 0.970 271 E HN 0.328 nan 8.360 nan 0.000 0.486 272 N N 0.808 119.272 118.700 -0.395 0.000 2.293 272 N HA -0.057 4.684 4.740 0.002 0.000 0.253 272 N C 0.973 175.833 175.510 -1.083 0.000 1.248 272 N CA 1.481 54.005 53.050 -0.875 0.000 0.845 272 N CB 0.843 38.608 38.487 -1.203 0.000 1.073 272 N HN 0.336 nan 8.380 nan 0.000 0.464 273 G N 1.021 109.147 108.800 -1.122 0.000 2.159 273 G HA2 -0.257 3.704 3.960 0.002 0.000 0.256 273 G HA3 -0.257 3.704 3.960 0.002 0.000 0.256 273 G C 0.002 174.751 174.900 -0.252 0.000 0.977 273 G CA 0.104 44.903 45.100 -0.502 0.000 0.652 273 G HN 0.554 nan 8.290 nan 0.000 0.531 274 I N 1.228 121.590 120.570 -0.348 0.000 2.433 274 I HA 0.430 4.600 4.170 0.002 0.000 0.292 274 I C -0.020 175.750 176.117 -0.578 0.000 1.001 274 I CA -0.814 60.202 61.300 -0.474 0.000 1.119 274 I CB 2.189 39.845 38.000 -0.572 0.000 1.289 274 I HN -0.030 nan 8.210 nan 0.000 0.438 275 T N 5.725 119.958 114.554 -0.534 0.000 2.744 275 T HA 0.470 4.821 4.350 0.002 0.000 0.291 275 T C -0.553 173.830 174.700 -0.529 0.000 0.957 275 T CA -0.198 61.665 62.100 -0.395 0.000 1.002 275 T CB 0.221 68.963 68.868 -0.210 0.000 0.919 275 T HN 0.114 nan 8.240 nan 0.000 0.468 276 F N 4.189 124.096 119.950 -0.072 0.000 2.361 276 F HA 0.398 4.926 4.527 0.002 0.000 0.364 276 F C -1.787 173.973 175.800 -0.066 0.000 1.117 276 F CA -2.625 55.326 58.000 -0.080 0.000 1.071 276 F CB 0.450 39.378 39.000 -0.121 0.000 1.188 276 F HN 0.351 nan 8.300 nan 0.000 0.464 277 P HA 0.029 nan 4.420 nan 0.000 0.269 277 P C 0.985 178.314 177.300 0.049 0.000 1.215 277 P CA -0.300 62.831 63.100 0.052 0.000 0.780 277 P CB 0.725 32.449 31.700 0.039 0.000 0.898 278 K N 1.461 121.874 120.400 0.022 0.000 2.218 278 K HA -0.175 4.146 4.320 0.002 0.000 0.205 278 K C 1.023 177.620 176.600 -0.004 0.000 1.046 278 K CA 2.146 58.436 56.287 0.004 0.000 0.933 278 K CB -1.319 31.181 32.500 -0.001 0.000 0.728 278 K HN 0.733 nan 8.250 nan 0.000 0.454 279 D N -0.444 119.960 120.400 0.005 0.000 2.354 279 D HA 0.145 4.786 4.640 0.002 0.000 0.209 279 D C 0.756 177.055 176.300 -0.001 0.000 1.015 279 D CA 0.474 54.475 54.000 0.002 0.000 0.867 279 D CB -0.237 40.569 40.800 0.010 0.000 0.933 279 D HN 0.535 nan 8.370 nan 0.000 0.520 280 A N 2.653 125.475 122.820 0.004 0.000 2.561 280 A HA 0.249 4.570 4.320 0.002 0.000 0.234 280 A C -1.808 175.724 177.584 -0.087 0.000 1.055 280 A CA -0.702 51.327 52.037 -0.013 0.000 0.756 280 A CB -0.394 18.631 19.000 0.042 0.000 0.986 280 A HN 0.195 nan 8.150 nan 0.000 0.505 281 P HA 0.131 nan 4.420 nan 0.000 0.269 281 P C 0.030 177.137 177.300 -0.322 0.000 1.215 281 P CA -0.188 62.812 63.100 -0.166 0.000 0.780 281 P CB 0.488 32.109 31.700 -0.133 0.000 0.898 282 S N 2.529 118.067 115.700 -0.270 0.000 2.587 282 S HA 0.167 4.638 4.470 0.002 0.000 0.260 282 S C -2.004 172.290 174.600 -0.510 0.000 1.353 282 S CA -0.470 57.537 58.200 -0.322 0.000 0.995 282 S CB -0.998 62.076 63.200 -0.211 0.000 0.912 282 S HN 0.458 nan 8.310 nan 0.000 0.568 283 P HA 0.227 nan 4.420 nan 0.000 0.271 283 P C -0.819 176.263 177.300 -0.364 0.000 1.216 283 P CA -0.151 62.636 63.100 -0.522 0.000 0.776 283 P CB 0.220 31.683 31.700 -0.395 0.000 0.881 284 F N 2.001 121.783 119.950 -0.280 0.000 2.375 284 F HA 0.376 4.904 4.527 0.002 0.000 0.333 284 F C 0.873 176.358 175.800 -0.524 0.000 1.104 284 F CA -0.655 57.089 58.000 -0.426 0.000 1.149 284 F CB 0.191 38.936 39.000 -0.425 0.000 1.190 284 F HN 0.116 nan 8.300 nan 0.000 0.533 285 I N 4.075 124.455 120.570 -0.316 0.000 2.405 285 I HA 0.223 4.394 4.170 0.002 0.000 0.280 285 I C -0.847 175.111 176.117 -0.265 0.000 1.027 285 I CA -0.349 60.796 61.300 -0.258 0.000 1.161 285 I CB 0.203 38.121 38.000 -0.136 0.000 1.300 285 I HN 0.230 nan 8.210 nan 0.000 0.463 286 F N 5.514 125.490 119.950 0.043 0.000 2.459 286 F HA 0.258 4.786 4.527 0.002 0.000 0.346 286 F C 1.078 176.704 175.800 -0.291 0.000 1.128 286 F CA -0.413 57.468 58.000 -0.198 0.000 1.268 286 F CB 0.332 38.944 39.000 -0.648 0.000 1.161 286 F HN 0.246 nan 8.300 nan 0.000 0.583 287 K N 1.350 121.700 120.400 -0.083 0.000 2.185 287 K HA 0.281 4.602 4.320 0.002 0.000 0.271 287 K C 0.336 176.844 176.600 -0.153 0.000 1.013 287 K CA -0.441 55.801 56.287 -0.074 0.000 0.943 287 K CB 0.747 33.236 32.500 -0.019 0.000 0.998 287 K HN 0.757 nan 8.250 nan 0.000 0.468 288 T N -1.376 113.190 114.554 0.019 0.000 2.770 288 T HA 0.161 4.511 4.350 0.002 0.000 0.281 288 T C 1.784 176.576 174.700 0.154 0.000 0.981 288 T CA -0.781 61.421 62.100 0.170 0.000 0.955 288 T CB 0.437 69.397 68.868 0.154 0.000 1.060 288 T HN 0.425 nan 8.240 nan 0.000 0.531 289 L N -0.013 121.334 121.223 0.207 0.000 1.990 289 L HA -0.155 4.186 4.340 0.002 0.000 0.213 289 L C 3.052 179.974 176.870 0.087 0.000 1.072 289 L CA 2.231 57.151 54.840 0.132 0.000 0.755 289 L CB -0.752 41.376 42.059 0.116 0.000 0.889 289 L HN 0.908 nan 8.230 nan 0.000 0.432 290 E N 0.416 120.667 120.200 0.086 0.000 2.070 290 E HA -0.263 4.088 4.350 0.002 0.000 0.197 290 E C 1.842 178.475 176.600 0.055 0.000 1.004 290 E CA 1.691 58.130 56.400 0.066 0.000 0.805 290 E CB 0.066 29.806 29.700 0.066 0.000 0.744 290 E HN 0.542 nan 8.360 nan 0.000 0.451 291 E N -0.243 119.990 120.200 0.056 0.000 2.418 291 E HA -0.141 4.210 4.350 0.002 0.000 0.197 291 E C 1.777 178.399 176.600 0.037 0.000 1.026 291 E CA 0.503 56.929 56.400 0.043 0.000 0.862 291 E CB 0.091 29.813 29.700 0.038 0.000 0.799 291 E HN 0.364 nan 8.360 nan 0.000 0.518 292 Q N -0.489 119.335 119.800 0.040 0.000 2.356 292 Q HA 0.109 4.450 4.340 0.002 0.000 0.205 292 Q C 0.892 176.912 176.000 0.034 0.000 0.901 292 Q CA 0.350 56.174 55.803 0.034 0.000 0.938 292 Q CB 0.950 29.707 28.738 0.032 0.000 1.081 292 Q HN 0.361 nan 8.270 nan 0.000 0.517 293 G N 0.754 109.576 108.800 0.037 0.000 2.147 293 G HA2 -0.237 3.724 3.960 0.002 0.000 0.244 293 G HA3 -0.237 3.724 3.960 0.002 0.000 0.244 293 G C -0.298 174.623 174.900 0.035 0.000 1.005 293 G CA 0.048 45.169 45.100 0.034 0.000 0.713 293 G HN 0.102 nan 8.290 nan 0.000 0.515 294 L N 0.000 121.248 121.223 0.041 0.000 2.949 294 L HA 0.000 4.341 4.340 0.002 0.000 0.249 294 L CA 0.000 54.864 54.840 0.040 0.000 0.813 294 L CB 0.000 42.086 42.059 0.044 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502