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 2x07_1_A DATA FIRST_RESID 2 DATA SEQUENCE TPLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEADNYIG YGPVLVRLAW DATA SEQUENCE HTSGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE DYVRTFFQRL NMNDREVVAL MGAHALGKTH LKRSGYEGPF GAANNVFTNE DATA SEQUENCE FYLNLLNEDW KLEKNDANNE QWDSKSGYMM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDRFFKD 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 0.000 174.677 174.700 -0.039 0.000 1.109 2 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 P HA 0.130 nan 4.420 nan 0.000 0.276 3 P C 0.226 177.468 177.300 -0.096 0.000 1.213 3 P CA -0.313 62.747 63.100 -0.066 0.000 0.809 3 P CB -0.116 31.552 31.700 -0.053 0.000 0.737 4 L N -0.155 120.983 121.223 -0.142 0.000 2.483 4 L HA 0.385 5.191 4.340 0.777 0.000 0.276 4 L C 1.057 177.731 176.870 -0.327 0.000 1.213 4 L CA -0.196 54.498 54.840 -0.244 0.000 0.843 4 L CB -0.808 41.045 42.059 -0.343 0.000 1.107 4 L HN 0.528 nan 8.230 nan 0.000 0.487 5 V N 0.764 120.487 119.914 -0.319 0.000 2.370 5 V HA 0.539 5.125 4.120 0.777 0.000 0.283 5 V C -0.093 175.771 176.094 -0.383 0.000 1.023 5 V CA -0.610 61.518 62.300 -0.286 0.000 0.857 5 V CB 0.604 32.334 31.823 -0.155 0.000 0.985 5 V HN 0.993 nan 8.190 nan 0.000 0.443 6 H N 3.703 122.556 119.070 -0.361 0.000 2.595 6 H HA 0.634 5.654 4.556 0.772 0.000 0.313 6 H C -0.881 174.052 175.328 -0.658 0.000 1.023 6 H CA -0.819 54.772 56.048 -0.761 0.000 1.218 6 H CB 1.889 30.852 29.762 -1.332 0.000 1.403 6 H HN 0.578 nan 8.280 nan 0.000 0.477 7 V N 3.125 122.908 119.914 -0.219 0.000 2.370 7 V HA 0.329 4.915 4.120 0.777 0.000 0.279 7 V C 0.506 176.614 176.094 0.023 0.000 1.029 7 V CA -0.857 61.375 62.300 -0.114 0.000 0.870 7 V CB 1.061 32.858 31.823 -0.043 0.000 0.984 7 V HN 0.897 nan 8.190 nan 0.000 0.451 8 A N 4.133 126.875 122.820 -0.130 0.000 2.540 8 A HA 0.464 5.250 4.320 0.777 0.000 0.239 8 A C 0.505 178.103 177.584 0.024 0.000 1.061 8 A CA 0.366 52.359 52.037 -0.073 0.000 0.758 8 A CB 0.298 19.068 19.000 -0.383 0.000 0.991 8 A HN 0.959 nan 8.150 nan 0.000 0.502 9 S N 2.443 118.183 115.700 0.066 0.000 2.779 9 S HA 0.431 5.367 4.470 0.777 0.000 0.293 9 S C -0.616 174.051 174.600 0.111 0.000 1.150 9 S CA -0.618 57.633 58.200 0.085 0.000 1.057 9 S CB 0.693 63.948 63.200 0.091 0.000 1.021 9 S HN 0.827 nan 8.310 nan 0.000 0.485 10 V N 5.064 125.060 119.914 0.136 0.000 2.557 10 V HA 0.055 4.641 4.120 0.777 0.000 0.301 10 V C 0.523 176.750 176.094 0.223 0.000 1.026 10 V CA 0.066 62.492 62.300 0.210 0.000 1.137 10 V CB -0.242 31.708 31.823 0.212 0.000 0.917 10 V HN 0.889 nan 8.190 nan 0.000 0.484 11 E N 3.562 123.953 120.200 0.319 0.000 2.765 11 E HA -0.097 4.719 4.350 0.777 0.000 0.256 11 E C 0.306 176.998 176.600 0.154 0.000 0.935 11 E CA 0.421 56.992 56.400 0.286 0.000 0.954 11 E CB 0.097 30.083 29.700 0.477 0.000 0.908 11 E HN 0.578 nan 8.360 nan 0.000 0.500 12 K N 2.152 122.610 120.400 0.095 0.000 2.436 12 K HA 0.091 4.877 4.320 0.777 0.000 0.282 12 K C 0.997 177.588 176.600 -0.015 0.000 1.044 12 K CA 0.875 57.191 56.287 0.048 0.000 1.028 12 K CB -0.041 32.483 32.500 0.040 0.000 0.919 12 K HN 0.662 nan 8.250 nan 0.000 0.474 13 G N 3.324 112.126 108.800 0.003 0.000 2.184 13 G HA2 -0.257 4.169 3.960 0.777 0.000 0.264 13 G HA3 -0.257 4.169 3.960 0.777 0.000 0.264 13 G C -0.067 174.785 174.900 -0.080 0.000 0.975 13 G CA 0.041 45.120 45.100 -0.035 0.000 0.642 13 G HN 0.580 nan 8.290 nan 0.000 0.536 14 R N 0.772 121.220 120.500 -0.087 0.000 2.490 14 R HA 0.686 5.492 4.340 0.777 0.000 0.278 14 R C 0.665 177.031 176.300 0.110 0.000 1.069 14 R CA 0.591 56.585 56.100 -0.176 0.000 1.080 14 R CB 1.311 31.390 30.300 -0.369 0.000 1.030 14 R HN 0.753 nan 8.270 nan 0.000 0.491 15 S N 0.052 115.798 115.700 0.076 0.000 2.840 15 S HA 0.179 5.115 4.470 0.777 0.000 0.307 15 S C 0.863 175.542 174.600 0.132 0.000 1.180 15 S CA -0.829 57.505 58.200 0.222 0.000 0.846 15 S CB 0.482 63.769 63.200 0.144 0.000 1.233 15 S HN 0.693 nan 8.310 nan 0.000 0.548 16 Y N 1.306 121.491 120.300 -0.191 0.000 2.102 16 Y HA -0.178 4.838 4.550 0.776 0.000 0.280 16 Y C 2.909 178.744 175.900 -0.107 0.000 1.178 16 Y CA 3.327 61.127 58.100 -0.500 0.000 1.146 16 Y CB -1.007 37.288 38.460 -0.276 0.000 0.968 16 Y HN 0.909 nan 8.280 nan 0.000 0.504 17 E N 0.517 120.710 120.200 -0.012 0.000 2.085 17 E HA -0.257 4.559 4.350 0.777 0.000 0.194 17 E C 1.701 178.200 176.600 -0.169 0.000 0.994 17 E CA 1.760 58.101 56.400 -0.098 0.000 0.801 17 E CB -0.969 28.724 29.700 -0.011 0.000 0.743 17 E HN 0.741 nan 8.360 nan 0.000 0.453 18 D N -0.712 119.566 120.400 -0.204 0.000 2.123 18 D HA -0.092 5.014 4.640 0.777 0.000 0.196 18 D C 1.851 177.979 176.300 -0.286 0.000 0.992 18 D CA 1.381 55.192 54.000 -0.315 0.000 0.833 18 D CB -0.268 40.105 40.800 -0.710 0.000 0.954 18 D HN 0.549 nan 8.370 nan 0.000 0.455 19 F N 0.797 120.691 119.950 -0.093 0.000 2.293 19 F HA -0.072 4.921 4.527 0.777 0.000 0.297 19 F C 2.666 178.075 175.800 -0.652 0.000 1.089 19 F CA 0.310 58.190 58.000 -0.200 0.000 1.377 19 F CB -0.236 38.826 39.000 0.104 0.000 1.051 19 F HN -0.165 nan 8.300 nan 0.000 0.511 20 Q N 1.351 120.890 119.800 -0.435 0.000 2.135 20 Q HA -0.209 4.597 4.340 0.777 0.000 0.204 20 Q C 1.842 177.630 176.000 -0.354 0.000 0.981 20 Q CA 1.831 57.320 55.803 -0.524 0.000 0.856 20 Q CB -0.211 28.244 28.738 -0.473 0.000 0.902 20 Q HN 0.288 nan 8.270 nan 0.000 0.425 21 K N -1.045 119.182 120.400 -0.288 0.000 2.057 21 K HA -0.098 4.688 4.320 0.777 0.000 0.207 21 K C 1.966 178.286 176.600 -0.467 0.000 1.049 21 K CA 1.480 57.634 56.287 -0.222 0.000 0.931 21 K CB -0.076 32.407 32.500 -0.029 0.000 0.714 21 K HN 0.075 nan 8.250 nan 0.000 0.440 22 V N 0.476 119.930 119.914 -0.767 0.000 2.307 22 V HA -0.262 4.324 4.120 0.777 0.000 0.245 22 V C 2.000 177.749 176.094 -0.576 0.000 1.045 22 V CA 1.608 63.307 62.300 -1.002 0.000 1.024 22 V CB -0.666 30.580 31.823 -0.962 0.000 0.651 22 V HN 0.269 nan 8.190 nan 0.000 0.449 23 Y N 1.793 121.673 120.300 -0.699 0.000 2.069 23 Y HA -0.363 4.653 4.550 0.776 0.000 0.278 23 Y C 2.442 178.135 175.900 -0.345 0.000 1.175 23 Y CA 2.511 60.254 58.100 -0.595 0.000 1.134 23 Y CB -0.499 37.465 38.460 -0.828 0.000 0.965 23 Y HN 0.336 nan 8.280 nan 0.000 0.498 24 N N -0.228 118.468 118.700 -0.007 0.000 2.120 24 N HA -0.208 4.998 4.740 0.777 0.000 0.188 24 N C 1.984 177.459 175.510 -0.058 0.000 1.024 24 N CA 0.754 53.824 53.050 0.033 0.000 0.852 24 N CB -0.343 38.164 38.487 0.034 0.000 1.003 24 N HN 0.497 nan 8.380 nan 0.000 0.424 25 A N 1.495 124.260 122.820 -0.091 0.000 1.877 25 A HA -0.124 4.662 4.320 0.777 0.000 0.216 25 A C 2.135 179.660 177.584 -0.097 0.000 1.186 25 A CA 1.060 53.075 52.037 -0.036 0.000 0.620 25 A CB -0.692 18.378 19.000 0.117 0.000 0.822 25 A HN 0.180 nan 8.150 nan 0.000 0.443 26 I N -0.142 120.328 120.570 -0.166 0.000 2.163 26 I HA -0.328 4.308 4.170 0.777 0.000 0.243 26 I C 2.968 179.053 176.117 -0.052 0.000 1.085 26 I CA 1.292 62.534 61.300 -0.096 0.000 1.347 26 I CB -0.383 37.494 38.000 -0.205 0.000 1.044 26 I HN 0.362 nan 8.210 nan 0.000 0.408 27 A N 0.657 123.352 122.820 -0.208 0.000 1.930 27 A HA -0.125 4.661 4.320 0.777 0.000 0.217 27 A C 2.309 179.880 177.584 -0.022 0.000 1.175 27 A CA 1.309 53.250 52.037 -0.160 0.000 0.627 27 A CB -0.774 18.098 19.000 -0.213 0.000 0.815 27 A HN 0.385 nan 8.150 nan 0.000 0.443 28 L N -0.875 120.337 121.223 -0.017 0.000 2.093 28 L HA -0.153 4.653 4.340 0.777 0.000 0.208 28 L C 2.625 179.506 176.870 0.018 0.000 1.085 28 L CA 1.781 56.625 54.840 0.007 0.000 0.755 28 L CB -0.297 41.760 42.059 -0.003 0.000 0.904 28 L HN 0.427 nan 8.230 nan 0.000 0.435 29 K N 0.363 120.764 120.400 0.003 0.000 2.155 29 K HA -0.108 4.678 4.320 0.777 0.000 0.203 29 K C 2.153 178.891 176.600 0.231 0.000 1.052 29 K CA 0.728 57.001 56.287 -0.023 0.000 0.948 29 K CB 0.082 32.375 32.500 -0.345 0.000 0.728 29 K HN 0.226 nan 8.250 nan 0.000 0.448 30 L N 0.790 122.216 121.223 0.338 0.000 2.042 30 L HA -0.203 4.603 4.340 0.777 0.000 0.210 30 L C 2.803 179.779 176.870 0.177 0.000 1.076 30 L CA 1.443 56.440 54.840 0.261 0.000 0.749 30 L CB -0.384 41.724 42.059 0.082 0.000 0.893 30 L HN 0.264 nan 8.230 nan 0.000 0.432 31 R N 0.179 120.751 120.500 0.120 0.000 2.119 31 R HA -0.195 4.611 4.340 0.777 0.000 0.222 31 R C 2.114 178.478 176.300 0.107 0.000 1.088 31 R CA 1.554 57.713 56.100 0.098 0.000 0.984 31 R CB 0.046 30.387 30.300 0.068 0.000 0.884 31 R HN 0.277 nan 8.270 nan 0.000 0.447 32 E N 1.025 121.283 120.200 0.097 0.000 2.051 32 E HA -0.111 4.705 4.350 0.777 0.000 0.189 32 E C 0.116 176.782 176.600 0.110 0.000 0.979 32 E CA 1.384 57.831 56.400 0.078 0.000 0.803 32 E CB -0.027 29.691 29.700 0.029 0.000 0.761 32 E HN 0.200 nan 8.360 nan 0.000 0.451 33 D N 1.790 122.286 120.400 0.160 0.000 3.038 33 D HA -0.021 5.085 4.640 0.777 0.000 0.243 33 D C 0.121 176.576 176.300 0.259 0.000 1.245 33 D CA 0.328 54.466 54.000 0.230 0.000 0.871 33 D CB -0.060 40.932 40.800 0.320 0.000 1.089 33 D HN 0.417 nan 8.370 nan 0.000 0.464 34 D N -0.381 120.124 120.400 0.175 0.000 2.264 34 D HA -0.186 4.920 4.640 0.777 0.000 0.208 34 D C 1.570 177.885 176.300 0.025 0.000 0.966 34 D CA 0.919 55.019 54.000 0.166 0.000 0.864 34 D CB -0.146 40.793 40.800 0.232 0.000 0.933 34 D HN 0.386 nan 8.370 nan 0.000 0.499 35 E N 1.569 121.673 120.200 -0.160 0.000 2.150 35 E HA 0.146 4.962 4.350 0.777 0.000 0.193 35 E C 1.533 177.800 176.600 -0.554 0.000 0.985 35 E CA 0.857 56.821 56.400 -0.727 0.000 0.814 35 E CB -0.816 28.621 29.700 -0.439 0.000 0.752 35 E HN 0.672 nan 8.360 nan 0.000 0.466 36 A N 0.978 123.631 122.820 -0.278 0.000 2.587 36 A HA 0.263 5.049 4.320 0.777 0.000 0.233 36 A C 0.731 178.131 177.584 -0.306 0.000 1.049 36 A CA 0.658 52.489 52.037 -0.343 0.000 0.754 36 A CB -0.146 18.410 19.000 -0.741 0.000 0.977 36 A HN 0.455 nan 8.150 nan 0.000 0.509 37 D N 0.701 120.962 120.400 -0.231 0.000 2.708 37 D HA -0.181 4.925 4.640 0.777 0.000 0.236 37 D C 0.023 176.279 176.300 -0.073 0.000 1.146 37 D CA 1.702 55.635 54.000 -0.113 0.000 0.662 37 D CB -1.463 39.292 40.800 -0.075 0.000 1.059 37 D HN 0.807 nan 8.370 nan 0.000 0.428 38 N N -0.795 117.842 118.700 -0.105 0.000 2.758 38 N HA -0.291 4.915 4.740 0.777 0.000 0.248 38 N C -0.087 175.483 175.510 0.100 0.000 1.076 38 N CA 1.157 54.201 53.050 -0.009 0.000 0.696 38 N CB -1.470 37.043 38.487 0.044 0.000 0.979 38 N HN 0.627 nan 8.380 nan 0.000 0.550 39 Y N -3.053 117.242 120.300 -0.008 0.000 4.841 39 Y HA -0.297 4.720 4.550 0.777 0.000 0.242 39 Y C 1.688 177.586 175.900 -0.004 0.000 1.002 39 Y CA 0.938 59.039 58.100 0.002 0.000 2.011 39 Y CB -1.919 36.548 38.460 0.012 0.000 1.554 39 Y HN 0.385 nan 8.280 nan 0.000 0.618 40 I N -0.263 120.332 120.570 0.042 0.000 2.353 40 I HA -0.028 4.608 4.170 0.777 0.000 0.248 40 I C 1.901 178.013 176.117 -0.008 0.000 1.119 40 I CA 1.290 62.602 61.300 0.019 0.000 1.417 40 I CB -0.609 37.386 38.000 -0.009 0.000 1.078 40 I HN 0.549 nan 8.210 nan 0.000 0.421 41 G N 0.116 108.868 108.800 -0.079 0.000 2.693 41 G HA2 -0.321 4.105 3.960 0.777 0.000 0.226 41 G HA3 -0.321 4.105 3.960 0.777 0.000 0.226 41 G C -0.132 174.654 174.900 -0.191 0.000 1.354 41 G CA 0.040 45.090 45.100 -0.084 0.000 0.873 41 G HN 0.216 nan 8.290 nan 0.000 0.562 42 Y N 1.677 121.893 120.300 -0.140 0.000 2.457 42 Y HA 0.306 5.321 4.550 0.775 0.000 0.263 42 Y C 2.707 178.423 175.900 -0.308 0.000 1.164 42 Y CA 1.227 59.153 58.100 -0.291 0.000 1.274 42 Y CB 0.289 38.361 38.460 -0.648 0.000 1.097 42 Y HN 0.756 nan 8.280 nan 0.000 0.523 43 G N 1.495 110.249 108.800 -0.076 0.000 2.459 43 G HA2 -0.231 4.195 3.960 0.777 0.000 0.217 43 G HA3 -0.231 4.195 3.960 0.777 0.000 0.217 43 G C -0.668 174.214 174.900 -0.030 0.000 1.183 43 G CA 0.904 45.962 45.100 -0.070 0.000 0.776 43 G HN 0.266 nan 8.290 nan 0.000 0.552 44 P HA -0.014 nan 4.420 nan 0.000 0.216 44 P C 2.159 179.490 177.300 0.052 0.000 1.153 44 P CA 0.534 63.662 63.100 0.046 0.000 0.844 44 P CB -0.057 31.680 31.700 0.062 0.000 0.787 45 V N -0.487 119.433 119.914 0.011 0.000 2.490 45 V HA -0.198 4.388 4.120 0.777 0.000 0.250 45 V C 2.042 178.141 176.094 0.008 0.000 1.061 45 V CA 1.634 63.943 62.300 0.015 0.000 1.064 45 V CB -1.023 30.795 31.823 -0.008 0.000 0.670 45 V HN 0.011 nan 8.190 nan 0.000 0.461 46 L N -0.977 120.228 121.223 -0.030 0.000 2.093 46 L HA -0.105 4.701 4.340 0.777 0.000 0.208 46 L C 2.458 179.376 176.870 0.080 0.000 1.085 46 L CA 1.159 55.981 54.840 -0.029 0.000 0.755 46 L CB -0.579 41.405 42.059 -0.124 0.000 0.904 46 L HN 0.228 nan 8.230 nan 0.000 0.435 47 V N -0.052 119.928 119.914 0.111 0.000 2.295 47 V HA -0.309 4.277 4.120 0.777 0.000 0.246 47 V C 2.657 178.946 176.094 0.325 0.000 1.049 47 V CA 1.934 64.373 62.300 0.232 0.000 1.024 47 V CB -0.656 31.252 31.823 0.143 0.000 0.648 47 V HN 0.453 nan 8.190 nan 0.000 0.447 48 R N -0.423 120.219 120.500 0.237 0.000 2.096 48 R HA -0.172 4.634 4.340 0.777 0.000 0.235 48 R C 2.273 178.642 176.300 0.114 0.000 1.127 48 R CA 1.631 57.886 56.100 0.258 0.000 0.968 48 R CB -0.325 30.049 30.300 0.123 0.000 0.861 48 R HN 0.446 nan 8.270 nan 0.000 0.440 49 L N 0.663 121.900 121.223 0.024 0.000 2.017 49 L HA -0.081 4.725 4.340 0.777 0.000 0.208 49 L C 2.267 179.142 176.870 0.009 0.000 1.073 49 L CA 2.176 56.951 54.840 -0.108 0.000 0.745 49 L CB -0.689 41.250 42.059 -0.201 0.000 0.894 49 L HN 0.217 nan 8.230 nan 0.000 0.432 50 A N -0.368 122.553 122.820 0.169 0.000 1.940 50 A HA -0.286 4.500 4.320 0.777 0.000 0.219 50 A C 2.270 180.043 177.584 0.315 0.000 1.176 50 A CA 1.874 54.061 52.037 0.249 0.000 0.631 50 A CB -1.421 17.774 19.000 0.325 0.000 0.814 50 A HN 0.837 nan 8.150 nan 0.000 0.446 51 W N -0.090 121.369 121.300 0.266 0.000 2.379 51 W HA -0.182 4.945 4.660 0.779 0.000 0.307 51 W C 1.875 178.600 176.519 0.344 0.000 1.200 51 W CA 1.651 59.189 57.345 0.321 0.000 1.297 51 W CB -0.692 29.021 29.460 0.422 0.000 1.140 51 W HN 0.570 nan 8.180 nan 0.000 0.507 52 H N 0.374 119.269 119.070 -0.291 0.000 2.389 52 H HA -0.140 4.918 4.556 0.836 0.000 0.299 52 H C 2.473 177.695 175.328 -0.176 0.000 1.081 52 H CA 1.985 57.757 56.048 -0.459 0.000 1.345 52 H CB -0.029 29.544 29.762 -0.314 0.000 1.393 52 H HN 0.187 nan 8.280 nan 0.000 0.520 53 T N -2.106 112.478 114.554 0.049 0.000 2.995 53 T HA -0.022 4.794 4.350 0.777 0.000 0.269 53 T C 2.037 176.830 174.700 0.155 0.000 1.091 53 T CA 1.008 63.173 62.100 0.108 0.000 1.128 53 T CB -0.014 68.927 68.868 0.121 0.000 0.891 53 T HN 0.071 nan 8.240 nan 0.000 0.492 54 S N 0.918 116.707 115.700 0.148 0.000 2.470 54 S HA 0.271 5.207 4.470 0.777 0.000 0.222 54 S C 2.194 176.914 174.600 0.200 0.000 1.024 54 S CA 0.320 58.620 58.200 0.167 0.000 0.931 54 S CB -0.285 63.006 63.200 0.151 0.000 0.791 54 S HN 0.696 nan 8.310 nan 0.000 0.513 55 G N 1.931 110.795 108.800 0.108 0.000 2.848 55 G HA2 -0.063 4.363 3.960 0.777 0.000 0.208 55 G HA3 -0.063 4.363 3.960 0.777 0.000 0.208 55 G C 1.305 176.236 174.900 0.052 0.000 1.152 55 G CA 1.107 46.248 45.100 0.068 0.000 0.789 55 G HN 0.592 nan 8.290 nan 0.000 0.531 56 T N -3.443 111.152 114.554 0.069 0.000 3.118 56 T HA -0.039 4.777 4.350 0.777 0.000 0.260 56 T C 0.902 175.704 174.700 0.170 0.000 1.139 56 T CA -0.588 61.567 62.100 0.092 0.000 1.085 56 T CB -0.142 68.785 68.868 0.098 0.000 0.934 56 T HN 0.215 nan 8.240 nan 0.000 0.518 57 W N 3.096 124.418 121.300 0.037 0.000 2.231 57 W HA 0.362 5.478 4.660 0.760 0.000 0.341 57 W C -0.511 176.008 176.519 0.000 0.000 1.298 57 W CA -0.437 56.932 57.345 0.040 0.000 1.266 57 W CB 0.295 29.789 29.460 0.056 0.000 1.172 57 W HN 0.024 nan 8.180 nan 0.000 0.568 58 D N 5.379 125.395 120.400 -0.641 0.000 2.471 58 D HA 0.070 5.176 4.640 0.777 0.000 0.245 58 D C 1.036 176.569 176.300 -1.278 0.000 1.116 58 D CA -0.408 53.175 54.000 -0.696 0.000 0.853 58 D CB 1.278 41.906 40.800 -0.286 0.000 1.123 58 D HN 0.598 nan 8.370 nan 0.000 0.540 59 K N 3.460 122.917 120.400 -1.572 0.000 2.280 59 K HA -0.153 4.633 4.320 0.777 0.000 0.202 59 K C 0.748 176.924 176.600 -0.707 0.000 1.047 59 K CA 1.014 56.427 56.287 -1.458 0.000 0.942 59 K CB -0.098 31.791 32.500 -1.019 0.000 0.739 59 K HN 0.469 nan 8.250 nan 0.000 0.457 60 H N 1.415 120.234 119.070 -0.418 0.000 2.428 60 H HA -0.044 4.969 4.556 0.762 0.000 0.296 60 H C 0.621 175.834 175.328 -0.191 0.000 1.062 60 H CA 1.647 57.552 56.048 -0.237 0.000 1.350 60 H CB 0.246 29.893 29.762 -0.192 0.000 1.403 60 H HN 0.657 nan 8.280 nan 0.000 0.533 61 D N -2.042 118.289 120.400 -0.116 0.000 2.516 61 D HA -0.038 5.068 4.640 0.777 0.000 0.241 61 D C 0.283 176.524 176.300 -0.098 0.000 1.246 61 D CA -0.244 53.705 54.000 -0.085 0.000 0.808 61 D CB -0.559 40.206 40.800 -0.058 0.000 1.147 61 D HN -0.015 nan 8.370 nan 0.000 0.527 62 N N 0.718 119.323 118.700 -0.159 0.000 2.725 62 N HA -0.182 5.024 4.740 0.777 0.000 0.249 62 N C -0.626 174.926 175.510 0.070 0.000 1.103 62 N CA 1.290 54.346 53.050 0.009 0.000 0.707 62 N CB -1.754 36.792 38.487 0.098 0.000 1.043 62 N HN 0.611 nan 8.380 nan 0.000 0.553 63 T N -3.216 111.336 114.554 -0.003 0.000 2.849 63 T HA 0.643 5.459 4.350 0.777 0.000 0.284 63 T C 1.373 176.174 174.700 0.169 0.000 1.004 63 T CA 0.230 62.382 62.100 0.087 0.000 1.021 63 T CB 1.429 70.314 68.868 0.028 0.000 1.013 63 T HN 1.111 nan 8.240 nan 0.000 0.527 64 G N 0.204 109.133 108.800 0.214 0.000 2.601 64 G HA2 0.318 4.744 3.960 0.777 0.000 0.261 64 G HA3 0.318 4.744 3.960 0.777 0.000 0.261 64 G C 0.416 175.544 174.900 0.380 0.000 1.289 64 G CA 0.120 45.373 45.100 0.255 0.000 0.920 64 G HN 2.789 nan 8.290 nan 0.000 0.571 65 G N -3.053 105.970 108.800 0.371 0.000 2.712 65 G HA2 0.321 4.747 3.960 0.777 0.000 0.683 65 G HA3 0.321 4.747 3.960 0.777 0.000 0.683 65 G C 1.098 176.135 174.900 0.228 0.000 1.320 65 G CA 1.091 46.381 45.100 0.317 0.000 0.847 65 G HN 2.455 nan 8.290 nan 0.000 0.553 66 S N -1.207 114.586 115.700 0.156 0.000 2.481 66 S HA -0.057 4.879 4.470 0.777 0.000 0.231 66 S C 1.852 176.549 174.600 0.162 0.000 0.996 66 S CA 1.727 60.028 58.200 0.168 0.000 0.942 66 S CB -0.223 63.049 63.200 0.120 0.000 0.768 66 S HN 1.274 nan 8.310 nan 0.000 0.520 67 Y N 2.803 123.097 120.300 -0.010 0.000 2.145 67 Y HA 0.052 5.065 4.550 0.773 0.000 0.286 67 Y C 2.382 178.229 175.900 -0.088 0.000 1.145 67 Y CA 1.519 59.553 58.100 -0.110 0.000 1.148 67 Y CB -0.860 37.438 38.460 -0.270 0.000 0.981 67 Y HN 0.348 nan 8.280 nan 0.000 0.507 68 G N -1.515 107.338 108.800 0.088 0.000 2.623 68 G HA2 0.172 4.598 3.960 0.777 0.000 0.214 68 G HA3 0.172 4.598 3.960 0.777 0.000 0.214 68 G C 1.222 176.191 174.900 0.113 0.000 1.138 68 G CA 0.319 45.461 45.100 0.070 0.000 0.794 68 G HN 0.880 nan 8.290 nan 0.000 0.535 69 G N 0.301 109.206 108.800 0.176 0.000 2.221 69 G HA2 -0.289 4.137 3.960 0.777 0.000 0.265 69 G HA3 -0.289 4.137 3.960 0.777 0.000 0.265 69 G C 1.108 176.246 174.900 0.396 0.000 1.041 69 G CA 1.377 46.640 45.100 0.271 0.000 0.807 69 G HN 1.117 nan 8.290 nan 0.000 0.502 70 T N -3.337 111.450 114.554 0.389 0.000 3.085 70 T HA -0.038 4.778 4.350 0.777 0.000 0.263 70 T C 1.783 176.690 174.700 0.344 0.000 1.127 70 T CA 1.328 63.674 62.100 0.409 0.000 1.103 70 T CB -0.133 68.985 68.868 0.416 0.000 0.921 70 T HN 0.719 nan 8.240 nan 0.000 0.510 71 Y N 3.487 123.937 120.300 0.251 0.000 2.365 71 Y HA -0.214 4.797 4.550 0.767 0.000 0.287 71 Y C 2.464 178.437 175.900 0.122 0.000 1.162 71 Y CA 1.498 59.669 58.100 0.118 0.000 1.260 71 Y CB -0.302 38.098 38.460 -0.100 0.000 0.976 71 Y HN 0.293 nan 8.280 nan 0.000 0.548 72 R N -0.645 119.962 120.500 0.178 0.000 2.237 72 R HA -0.079 4.727 4.340 0.777 0.000 0.219 72 R C -0.266 175.917 176.300 -0.194 0.000 1.080 72 R CA 0.467 56.543 56.100 -0.039 0.000 0.995 72 R CB -0.984 29.319 30.300 0.006 0.000 0.875 72 R HN 0.270 nan 8.270 nan 0.000 0.462 73 F N 2.563 122.530 119.950 0.028 0.000 2.384 73 F HA 0.209 5.198 4.527 0.771 0.000 0.338 73 F C 1.547 176.943 175.800 -0.673 0.000 1.103 73 F CA -1.147 56.760 58.000 -0.156 0.000 1.157 73 F CB 1.526 40.473 39.000 -0.089 0.000 1.167 73 F HN -0.136 nan 8.300 nan 0.000 0.529 74 K N 1.372 121.346 120.400 -0.709 0.000 2.113 74 K HA -0.250 4.536 4.320 0.777 0.000 0.208 74 K C 1.705 177.765 176.600 -0.899 0.000 1.047 74 K CA 1.823 57.206 56.287 -1.507 0.000 0.928 74 K CB -0.209 31.843 32.500 -0.746 0.000 0.716 74 K HN 0.592 nan 8.250 nan 0.000 0.446 75 K N 1.333 121.479 120.400 -0.425 0.000 2.032 75 K HA -0.227 4.559 4.320 0.777 0.000 0.209 75 K C 2.257 178.715 176.600 -0.236 0.000 1.048 75 K CA 1.933 58.070 56.287 -0.251 0.000 0.927 75 K CB 0.001 32.419 32.500 -0.136 0.000 0.712 75 K HN 0.379 nan 8.250 nan 0.000 0.441 76 E N -0.244 119.821 120.200 -0.224 0.000 2.076 76 E HA -0.136 4.680 4.350 0.777 0.000 0.190 76 E C 1.901 178.376 176.600 -0.208 0.000 0.979 76 E CA 0.996 57.320 56.400 -0.127 0.000 0.807 76 E CB -0.181 29.525 29.700 0.010 0.000 0.761 76 E HN 0.493 nan 8.360 nan 0.000 0.454 77 F N -0.036 119.642 119.950 -0.454 0.000 2.365 77 F HA 0.044 5.036 4.527 0.775 0.000 0.300 77 F C 1.452 177.106 175.800 -0.243 0.000 1.090 77 F CA 0.340 57.948 58.000 -0.654 0.000 1.408 77 F CB -0.116 38.236 39.000 -1.080 0.000 1.060 77 F HN -0.111 nan 8.300 nan 0.000 0.534 78 N N 0.571 119.186 118.700 -0.141 0.000 2.336 78 N HA -0.051 5.155 4.740 0.777 0.000 0.189 78 N C -0.352 175.157 175.510 -0.001 0.000 1.113 78 N CA 0.217 53.263 53.050 -0.007 0.000 0.858 78 N CB -0.550 37.878 38.487 -0.099 0.000 0.970 78 N HN 0.286 nan 8.380 nan 0.000 0.471 79 D N 1.681 122.080 120.400 -0.002 0.000 2.520 79 D HA -0.033 5.073 4.640 0.777 0.000 0.243 79 D C -1.415 174.929 176.300 0.073 0.000 1.160 79 D CA -1.288 52.733 54.000 0.034 0.000 0.877 79 D CB 1.260 42.091 40.800 0.053 0.000 1.150 79 D HN 0.067 nan 8.370 nan 0.000 0.494 80 P HA -0.117 nan 4.420 nan 0.000 0.217 80 P C 1.227 178.591 177.300 0.107 0.000 1.148 80 P CA 0.914 64.059 63.100 0.074 0.000 0.828 80 P CB 0.234 31.967 31.700 0.055 0.000 0.783 81 S N -0.824 114.941 115.700 0.107 0.000 2.419 81 S HA -0.095 4.841 4.470 0.777 0.000 0.233 81 S C 1.362 176.125 174.600 0.271 0.000 1.016 81 S CA 1.058 59.347 58.200 0.149 0.000 0.974 81 S CB -0.781 62.438 63.200 0.033 0.000 0.786 81 S HN 0.238 nan 8.310 nan 0.000 0.492 82 N N 1.365 120.210 118.700 0.241 0.000 2.268 82 N HA 0.293 5.499 4.740 0.777 0.000 0.204 82 N C -0.058 175.574 175.510 0.203 0.000 1.124 82 N CA -0.028 53.202 53.050 0.299 0.000 0.838 82 N CB 0.073 38.768 38.487 0.347 0.000 0.994 82 N HN 0.310 nan 8.380 nan 0.000 0.489 83 A N -0.283 122.630 122.820 0.155 0.000 2.488 83 A HA 0.489 5.275 4.320 0.777 0.000 0.249 83 A C 1.470 179.095 177.584 0.069 0.000 1.083 83 A CA 0.663 52.765 52.037 0.107 0.000 0.768 83 A CB -0.205 18.848 19.000 0.088 0.000 1.017 83 A HN 0.413 nan 8.150 nan 0.000 0.496 84 G N 1.198 110.024 108.800 0.043 0.000 2.284 84 G HA2 -0.261 4.165 3.960 0.777 0.000 0.230 84 G HA3 -0.261 4.165 3.960 0.777 0.000 0.230 84 G C 0.865 175.776 174.900 0.019 0.000 1.021 84 G CA 0.356 45.447 45.100 -0.016 0.000 0.619 84 G HN 0.791 nan 8.290 nan 0.000 0.510 85 L N 0.825 122.088 121.223 0.066 0.000 2.456 85 L HA -0.013 4.793 4.340 0.777 0.000 0.224 85 L C 2.829 179.792 176.870 0.154 0.000 1.148 85 L CA 1.566 56.442 54.840 0.061 0.000 0.825 85 L CB -0.329 41.738 42.059 0.013 0.000 0.937 85 L HN 0.312 nan 8.230 nan 0.000 0.450 86 Q N -0.095 119.813 119.800 0.179 0.000 2.234 86 Q HA -0.172 4.634 4.340 0.777 0.000 0.206 86 Q C 1.914 178.026 176.000 0.186 0.000 0.980 86 Q CA 1.214 57.114 55.803 0.162 0.000 0.869 86 Q CB -0.282 28.471 28.738 0.026 0.000 0.912 86 Q HN 0.493 nan 8.270 nan 0.000 0.436 87 N N -0.276 118.518 118.700 0.157 0.000 2.188 87 N HA -0.090 5.116 4.740 0.777 0.000 0.184 87 N C 1.799 177.496 175.510 0.312 0.000 1.018 87 N CA 1.401 54.591 53.050 0.233 0.000 0.858 87 N CB -0.389 38.207 38.487 0.182 0.000 0.989 87 N HN 0.408 nan 8.380 nan 0.000 0.426 88 G N 0.491 109.421 108.800 0.217 0.000 2.402 88 G HA2 -0.235 4.191 3.960 0.777 0.000 0.216 88 G HA3 -0.235 4.191 3.960 0.777 0.000 0.216 88 G C 1.375 176.383 174.900 0.181 0.000 1.162 88 G CA 0.126 45.324 45.100 0.164 0.000 0.777 88 G HN 0.263 nan 8.290 nan 0.000 0.539 89 F N 1.881 121.864 119.950 0.055 0.000 2.134 89 F HA -0.063 4.929 4.527 0.776 0.000 0.299 89 F C 2.889 178.752 175.800 0.105 0.000 1.097 89 F CA 1.971 60.032 58.000 0.101 0.000 1.264 89 F CB -0.004 39.103 39.000 0.179 0.000 1.001 89 F HN 0.049 nan 8.300 nan 0.000 0.479 90 K N -0.098 120.446 120.400 0.240 0.000 2.057 90 K HA -0.166 4.620 4.320 0.777 0.000 0.206 90 K C 1.850 178.431 176.600 -0.031 0.000 1.050 90 K CA 1.322 57.670 56.287 0.103 0.000 0.935 90 K CB -1.429 31.145 32.500 0.123 0.000 0.715 90 K HN 0.521 nan 8.250 nan 0.000 0.439 91 F N 1.362 121.196 119.950 -0.193 0.000 2.091 91 F HA -0.143 4.851 4.527 0.778 0.000 0.299 91 F C 1.795 177.432 175.800 -0.272 0.000 1.103 91 F CA 1.647 59.423 58.000 -0.373 0.000 1.228 91 F CB -0.208 38.466 39.000 -0.543 0.000 0.984 91 F HN -0.024 nan 8.300 nan 0.000 0.477 92 L N -0.169 121.047 121.223 -0.013 0.000 2.395 92 L HA -0.105 4.701 4.340 0.777 0.000 0.218 92 L C 2.225 178.958 176.870 -0.229 0.000 1.130 92 L CA 0.660 55.440 54.840 -0.100 0.000 0.826 92 L CB -0.676 41.362 42.059 -0.035 0.000 0.941 92 L HN 0.204 nan 8.230 nan 0.000 0.451 93 E N 0.647 120.681 120.200 -0.278 0.000 2.065 93 E HA -0.234 4.582 4.350 0.777 0.000 0.201 93 E C -0.615 175.880 176.600 -0.174 0.000 1.016 93 E CA 1.663 57.921 56.400 -0.237 0.000 0.818 93 E CB -0.817 28.778 29.700 -0.175 0.000 0.749 93 E HN 0.454 nan 8.360 nan 0.000 0.453 94 P HA -0.075 nan 4.420 nan 0.000 0.225 94 P C 1.345 178.548 177.300 -0.162 0.000 1.156 94 P CA 0.842 63.829 63.100 -0.188 0.000 0.787 94 P CB -0.015 31.547 31.700 -0.230 0.000 0.802 95 I N -0.310 120.161 120.570 -0.166 0.000 2.163 95 I HA -0.224 4.412 4.170 0.777 0.000 0.240 95 I C 2.521 178.652 176.117 0.023 0.000 1.081 95 I CA 1.664 62.932 61.300 -0.053 0.000 1.353 95 I CB -1.932 35.998 38.000 -0.117 0.000 1.054 95 I HN 0.129 nan 8.210 nan 0.000 0.407 96 H N 1.170 120.141 119.070 -0.164 0.000 2.421 96 H HA -0.172 4.850 4.556 0.776 0.000 0.298 96 H C 2.282 177.504 175.328 -0.178 0.000 1.087 96 H CA 1.783 57.718 56.048 -0.189 0.000 1.330 96 H CB 0.384 30.015 29.762 -0.218 0.000 1.388 96 H HN 0.352 nan 8.280 nan 0.000 0.526 97 K N 1.073 121.435 120.400 -0.063 0.000 2.103 97 K HA -0.129 4.657 4.320 0.777 0.000 0.204 97 K C 1.849 178.340 176.600 -0.182 0.000 1.052 97 K CA 1.509 57.717 56.287 -0.131 0.000 0.945 97 K CB -0.417 32.005 32.500 -0.129 0.000 0.722 97 K HN 0.582 nan 8.250 nan 0.000 0.443 98 E N -1.513 118.539 120.200 -0.248 0.000 2.112 98 E HA 0.016 4.832 4.350 0.777 0.000 0.190 98 E C -0.441 175.718 176.600 -0.735 0.000 0.979 98 E CA 0.458 56.549 56.400 -0.515 0.000 0.814 98 E CB 0.095 29.384 29.700 -0.685 0.000 0.762 98 E HN 0.587 nan 8.360 nan 0.000 0.460 99 F N 0.872 120.671 119.950 -0.251 0.000 2.389 99 F HA 0.304 5.297 4.527 0.777 0.000 0.327 99 F C -1.901 173.540 175.800 -0.598 0.000 1.204 99 F CA -2.041 55.639 58.000 -0.533 0.000 1.209 99 F CB 1.578 40.103 39.000 -0.791 0.000 1.460 99 F HN 0.011 nan 8.300 nan 0.000 0.537 100 P HA -0.107 nan 4.420 nan 0.000 0.241 100 P C 1.401 178.703 177.300 0.004 0.000 1.191 100 P CA 0.798 63.851 63.100 -0.077 0.000 0.771 100 P CB -0.092 31.571 31.700 -0.061 0.000 0.929 101 W N -0.345 121.019 121.300 0.105 0.000 2.519 101 W HA 0.135 5.262 4.660 0.778 0.000 0.266 101 W C 0.659 177.246 176.519 0.113 0.000 1.253 101 W CA -0.452 56.943 57.345 0.083 0.000 1.274 101 W CB -1.225 28.261 29.460 0.043 0.000 1.114 101 W HN -0.166 nan 8.180 nan 0.000 0.596 102 I N 3.900 124.278 120.570 -0.320 0.000 2.575 102 I HA 0.001 4.637 4.170 0.777 0.000 0.285 102 I C 1.207 177.342 176.117 0.030 0.000 1.085 102 I CA -0.017 61.182 61.300 -0.169 0.000 1.403 102 I CB 1.078 38.724 38.000 -0.590 0.000 1.409 102 I HN -0.099 nan 8.210 nan 0.000 0.557 103 S N 4.308 120.061 115.700 0.088 0.000 2.589 103 S HA 0.119 5.055 4.470 0.777 0.000 0.265 103 S C 0.976 175.466 174.600 -0.183 0.000 1.342 103 S CA -0.374 57.833 58.200 0.011 0.000 1.005 103 S CB 1.544 64.735 63.200 -0.014 0.000 0.909 103 S HN 0.720 nan 8.310 nan 0.000 0.555 104 S N 1.805 117.379 115.700 -0.211 0.000 2.368 104 S HA 0.029 4.965 4.470 0.777 0.000 0.224 104 S C 2.195 176.267 174.600 -0.879 0.000 1.029 104 S CA 1.091 58.934 58.200 -0.595 0.000 0.988 104 S CB -1.232 61.770 63.200 -0.329 0.000 0.838 104 S HN 0.954 nan 8.310 nan 0.000 0.462 105 G N 1.864 110.444 108.800 -0.366 0.000 2.476 105 G HA2 -0.281 4.145 3.960 0.777 0.000 0.218 105 G HA3 -0.281 4.145 3.960 0.777 0.000 0.218 105 G C 1.056 175.939 174.900 -0.029 0.000 1.164 105 G CA 1.339 46.361 45.100 -0.130 0.000 0.768 105 G HN 0.383 nan 8.290 nan 0.000 0.560 106 D N -0.201 120.204 120.400 0.008 0.000 2.097 106 D HA -0.061 5.045 4.640 0.777 0.000 0.197 106 D C 2.386 178.764 176.300 0.130 0.000 0.984 106 D CA 0.387 54.578 54.000 0.319 0.000 0.826 106 D CB -0.380 40.685 40.800 0.441 0.000 0.973 106 D HN 0.195 nan 8.370 nan 0.000 0.460 107 L N -0.022 121.067 121.223 -0.224 0.000 2.042 107 L HA -0.111 4.695 4.340 0.777 0.000 0.210 107 L C 2.057 178.839 176.870 -0.148 0.000 1.076 107 L CA 1.545 56.173 54.840 -0.354 0.000 0.749 107 L CB -0.756 40.887 42.059 -0.694 0.000 0.893 107 L HN 0.049 nan 8.230 nan 0.000 0.432 108 F N -0.862 119.069 119.950 -0.031 0.000 2.186 108 F HA -0.208 4.786 4.527 0.778 0.000 0.299 108 F C 2.654 178.478 175.800 0.040 0.000 1.090 108 F CA 0.794 58.794 58.000 -0.001 0.000 1.307 108 F CB -0.662 38.358 39.000 0.035 0.000 1.019 108 F HN 0.284 nan 8.300 nan 0.000 0.489 109 S N 0.484 116.351 115.700 0.279 0.000 2.395 109 S HA -0.142 4.794 4.470 0.777 0.000 0.225 109 S C 1.807 176.507 174.600 0.167 0.000 1.027 109 S CA 0.649 59.019 58.200 0.284 0.000 0.965 109 S CB -0.798 62.650 63.200 0.413 0.000 0.812 109 S HN 0.297 nan 8.310 nan 0.000 0.482 110 L N 2.893 124.083 121.223 -0.055 0.000 2.141 110 L HA 0.226 5.032 4.340 0.777 0.000 0.209 110 L C 2.359 179.079 176.870 -0.249 0.000 1.094 110 L CA 1.706 56.237 54.840 -0.516 0.000 0.763 110 L CB -1.399 40.151 42.059 -0.848 0.000 0.908 110 L HN 0.374 nan 8.230 nan 0.000 0.437 111 G N -0.783 107.950 108.800 -0.112 0.000 2.476 111 G HA2 -0.272 4.154 3.960 0.777 0.000 0.218 111 G HA3 -0.272 4.154 3.960 0.777 0.000 0.218 111 G C 1.504 176.399 174.900 -0.009 0.000 1.164 111 G CA 0.684 45.745 45.100 -0.064 0.000 0.768 111 G HN 0.583 nan 8.290 nan 0.000 0.560 112 G N 0.209 109.081 108.800 0.120 0.000 2.404 112 G HA2 -0.108 4.318 3.960 0.777 0.000 0.215 112 G HA3 -0.108 4.318 3.960 0.777 0.000 0.215 112 G C 1.805 176.890 174.900 0.308 0.000 1.174 112 G CA 1.197 46.469 45.100 0.286 0.000 0.780 112 G HN 0.324 nan 8.290 nan 0.000 0.537 113 V N 1.199 121.291 119.914 0.296 0.000 2.255 113 V HA -0.222 4.364 4.120 0.777 0.000 0.247 113 V C 3.195 179.373 176.094 0.140 0.000 1.051 113 V CA 2.483 64.950 62.300 0.279 0.000 1.018 113 V CB -1.090 30.892 31.823 0.264 0.000 0.641 113 V HN 0.409 nan 8.190 nan 0.000 0.445 114 T N 0.377 114.913 114.554 -0.031 0.000 2.720 114 T HA -0.201 4.615 4.350 0.777 0.000 0.268 114 T C 2.036 176.614 174.700 -0.203 0.000 1.037 114 T CA 1.737 63.647 62.100 -0.317 0.000 1.144 114 T CB -0.490 67.963 68.868 -0.692 0.000 0.864 114 T HN 0.586 nan 8.240 nan 0.000 0.444 115 A N 1.051 123.795 122.820 -0.127 0.000 1.873 115 A HA -0.032 4.754 4.320 0.777 0.000 0.215 115 A C 2.616 180.153 177.584 -0.079 0.000 1.186 115 A CA 1.386 53.364 52.037 -0.098 0.000 0.616 115 A CB -1.112 17.842 19.000 -0.076 0.000 0.823 115 A HN 0.329 nan 8.150 nan 0.000 0.442 116 V N 0.278 120.131 119.914 -0.103 0.000 2.252 116 V HA -0.383 4.203 4.120 0.777 0.000 0.249 116 V C 2.725 178.674 176.094 -0.241 0.000 1.056 116 V CA 2.483 64.620 62.300 -0.272 0.000 1.022 116 V CB -1.021 30.542 31.823 -0.434 0.000 0.641 116 V HN 0.648 nan 8.190 nan 0.000 0.445 117 Q N -0.806 118.938 119.800 -0.094 0.000 2.079 117 Q HA -0.184 4.622 4.340 0.777 0.000 0.200 117 Q C 2.322 178.344 176.000 0.037 0.000 0.974 117 Q CA 1.289 57.086 55.803 -0.009 0.000 0.840 117 Q CB -0.238 28.613 28.738 0.188 0.000 0.898 117 Q HN 0.624 nan 8.270 nan 0.000 0.430 118 E N 0.456 120.680 120.200 0.040 0.000 2.204 118 E HA -0.102 4.714 4.350 0.777 0.000 0.195 118 E C 1.421 178.040 176.600 0.032 0.000 0.990 118 E CA 0.880 57.303 56.400 0.039 0.000 0.821 118 E CB -0.043 29.647 29.700 -0.017 0.000 0.750 118 E HN 0.449 nan 8.360 nan 0.000 0.477 119 M N 0.126 119.734 119.600 0.014 0.000 2.608 119 M HA 0.033 4.979 4.480 0.777 0.000 0.224 119 M C -0.311 176.040 176.300 0.086 0.000 1.204 119 M CA 0.284 55.615 55.300 0.051 0.000 0.984 119 M CB 0.007 32.645 32.600 0.063 0.000 1.691 119 M HN -0.057 nan 8.290 nan 0.000 0.469 120 Q N -1.076 118.762 119.800 0.063 0.000 2.506 120 Q HA -0.130 4.676 4.340 0.777 0.000 0.268 120 Q C 0.424 176.491 176.000 0.112 0.000 1.002 120 Q CA 0.237 56.105 55.803 0.109 0.000 1.052 120 Q CB -2.188 26.643 28.738 0.156 0.000 1.383 120 Q HN 0.755 nan 8.270 nan 0.000 0.537 121 G N 0.923 109.621 108.800 -0.169 0.000 2.510 121 G HA2 0.578 5.004 3.960 0.777 0.000 0.280 121 G HA3 0.578 5.004 3.960 0.777 0.000 0.280 121 G C -2.272 172.187 174.900 -0.737 0.000 1.386 121 G CA -0.781 43.854 45.100 -0.776 0.000 1.047 121 G HN 0.050 nan 8.290 nan 0.000 0.527 122 P HA 0.205 nan 4.420 nan 0.000 0.274 122 P C -0.649 176.499 177.300 -0.253 0.000 1.237 122 P CA -0.497 62.295 63.100 -0.514 0.000 0.793 122 P CB 0.815 32.183 31.700 -0.554 0.000 0.977 123 K N 1.583 121.938 120.400 -0.074 0.000 2.401 123 K HA 0.237 5.023 4.320 0.777 0.000 0.278 123 K C 0.226 176.818 176.600 -0.013 0.000 1.018 123 K CA 0.062 56.340 56.287 -0.016 0.000 0.981 123 K CB 0.029 32.534 32.500 0.009 0.000 0.933 123 K HN 0.432 nan 8.250 nan 0.000 0.477 124 I N 5.297 125.900 120.570 0.055 0.000 2.390 124 I HA 0.213 4.849 4.170 0.777 0.000 0.283 124 I C -2.277 173.917 176.117 0.129 0.000 1.016 124 I CA -2.514 58.850 61.300 0.106 0.000 1.151 124 I CB 1.235 39.371 38.000 0.227 0.000 1.293 124 I HN 0.113 nan 8.210 nan 0.000 0.458 125 P HA -0.027 nan 4.420 nan 0.000 0.266 125 P C -1.045 176.303 177.300 0.080 0.000 1.195 125 P CA 0.330 63.428 63.100 -0.003 0.000 0.768 125 P CB 0.478 32.120 31.700 -0.096 0.000 0.838 126 W N 4.217 125.429 121.300 -0.147 0.000 2.998 126 W HA 0.462 5.586 4.660 0.772 0.000 0.335 126 W C -1.092 175.299 176.519 -0.213 0.000 1.110 126 W CA -0.629 56.674 57.345 -0.070 0.000 1.230 126 W CB 1.655 31.229 29.460 0.190 0.000 1.405 126 W HN 0.219 nan 8.180 nan 0.000 0.493 127 R N 4.428 124.270 120.500 -1.096 0.000 2.637 127 R HA 0.614 5.420 4.340 0.777 0.000 0.291 127 R C -0.051 175.283 176.300 -1.609 0.000 0.963 127 R CA -0.762 54.638 56.100 -1.168 0.000 0.901 127 R CB 1.284 30.990 30.300 -0.990 0.000 1.160 127 R HN 0.666 nan 8.270 nan 0.000 0.457 128 C N -0.653 117.946 119.300 -1.167 0.000 2.396 128 C HA 0.888 5.814 4.460 0.777 0.000 0.359 128 C C 1.352 176.206 174.990 -0.227 0.000 1.307 128 C CA 0.517 59.047 59.018 -0.814 0.000 2.392 128 C CB 0.463 27.870 27.740 -0.555 0.000 2.245 128 C HN 1.052 nan 8.230 nan 0.000 0.615 129 G N 0.370 109.142 108.800 -0.046 0.000 2.175 129 G HA2 -0.123 4.303 3.960 0.777 0.000 0.182 129 G HA3 -0.123 4.303 3.960 0.777 0.000 0.182 129 G C 0.002 174.851 174.900 -0.085 0.000 1.003 129 G CA -0.230 44.878 45.100 0.014 0.000 0.666 129 G HN 0.982 nan 8.290 nan 0.000 0.506 130 R N -0.057 120.349 120.500 -0.156 0.000 2.585 130 R HA 0.413 5.219 4.340 0.777 0.000 0.275 130 R C -0.046 175.938 176.300 -0.528 0.000 1.018 130 R CA 0.302 56.135 56.100 -0.445 0.000 1.072 130 R CB 0.996 31.143 30.300 -0.255 0.000 0.953 130 R HN 0.101 nan 8.270 nan 0.000 0.419 131 V N 3.321 122.599 119.914 -1.060 0.000 2.540 131 V HA 0.094 4.680 4.120 0.777 0.000 0.302 131 V C -0.456 175.406 176.094 -0.387 0.000 1.035 131 V CA -0.989 61.000 62.300 -0.517 0.000 0.873 131 V CB 1.914 33.571 31.823 -0.277 0.000 0.992 131 V HN 0.677 nan 8.190 nan 0.000 0.428 132 D N 3.167 123.488 120.400 -0.131 0.000 2.455 132 D HA 0.330 5.436 4.640 0.777 0.000 0.241 132 D C 0.534 176.875 176.300 0.068 0.000 1.138 132 D CA 0.461 54.452 54.000 -0.014 0.000 0.877 132 D CB 1.142 41.972 40.800 0.050 0.000 1.187 132 D HN 0.784 nan 8.370 nan 0.000 0.451 133 T N -0.885 113.759 114.554 0.150 0.000 2.932 133 T HA 0.683 5.499 4.350 0.777 0.000 0.289 133 T C -2.689 172.175 174.700 0.274 0.000 1.039 133 T CA -2.205 60.011 62.100 0.193 0.000 1.024 133 T CB 1.798 70.786 68.868 0.200 0.000 1.090 133 T HN -0.062 nan 8.240 nan 0.000 0.496 134 P HA 0.225 nan 4.420 nan 0.000 0.272 134 P C 0.825 177.981 177.300 -0.239 0.000 1.240 134 P CA -0.407 62.723 63.100 0.050 0.000 0.791 134 P CB 0.468 32.171 31.700 0.005 0.000 0.978 135 E N 1.115 120.827 120.200 -0.813 0.000 2.171 135 E HA -0.283 4.533 4.350 0.777 0.000 0.197 135 E C 1.084 177.356 176.600 -0.547 0.000 0.997 135 E CA 1.575 57.139 56.400 -1.394 0.000 0.810 135 E CB -0.176 28.721 29.700 -1.339 0.000 0.738 135 E HN 0.498 nan 8.360 nan 0.000 0.467 136 D N -0.524 119.704 120.400 -0.285 0.000 2.371 136 D HA -0.122 4.984 4.640 0.777 0.000 0.221 136 D C 1.629 177.887 176.300 -0.069 0.000 0.986 136 D CA 1.383 55.297 54.000 -0.145 0.000 0.899 136 D CB -0.481 40.264 40.800 -0.091 0.000 0.902 136 D HN 0.246 nan 8.370 nan 0.000 0.530 137 T N -3.322 111.209 114.554 -0.039 0.000 3.100 137 T HA 0.025 4.841 4.350 0.777 0.000 0.253 137 T C 0.791 175.544 174.700 0.088 0.000 1.118 137 T CA -0.205 61.931 62.100 0.060 0.000 1.058 137 T CB -0.822 68.130 68.868 0.140 0.000 0.953 137 T HN -0.072 nan 8.240 nan 0.000 0.515 138 T N 5.825 120.408 114.554 0.049 0.000 2.829 138 T HA 0.232 5.048 4.350 0.777 0.000 0.293 138 T C -2.332 172.407 174.700 0.065 0.000 0.970 138 T CA -0.844 61.316 62.100 0.100 0.000 1.168 138 T CB 0.608 69.520 68.868 0.073 0.000 0.911 138 T HN 0.338 nan 8.240 nan 0.000 0.535 139 P HA 0.163 nan 4.420 nan 0.000 0.268 139 P C -0.307 177.012 177.300 0.032 0.000 1.205 139 P CA -0.458 62.679 63.100 0.061 0.000 0.771 139 P CB 0.642 32.391 31.700 0.081 0.000 0.858 140 D N 1.650 122.058 120.400 0.014 0.000 2.378 140 D HA 0.053 5.159 4.640 0.777 0.000 0.238 140 D C 0.590 176.894 176.300 0.008 0.000 1.180 140 D CA 0.424 54.425 54.000 0.001 0.000 0.895 140 D CB 0.076 40.875 40.800 -0.002 0.000 1.192 140 D HN 0.278 nan 8.370 nan 0.000 0.438 141 N N -0.110 118.590 118.700 0.001 0.000 2.416 141 N HA 0.321 5.527 4.740 0.777 0.000 0.246 141 N C 1.252 176.773 175.510 0.017 0.000 1.260 141 N CA 0.868 53.922 53.050 0.006 0.000 0.897 141 N CB 0.586 39.074 38.487 0.002 0.000 1.110 141 N HN 0.608 nan 8.380 nan 0.000 0.439 142 G N 0.139 108.953 108.800 0.024 0.000 2.148 142 G HA2 -0.261 4.165 3.960 0.777 0.000 0.203 142 G HA3 -0.261 4.165 3.960 0.777 0.000 0.203 142 G C 0.832 175.776 174.900 0.074 0.000 0.993 142 G CA -0.047 45.080 45.100 0.046 0.000 0.661 142 G HN 0.566 nan 8.290 nan 0.000 0.518 143 R N -0.757 119.777 120.500 0.057 0.000 2.290 143 R HA 0.400 5.206 4.340 0.777 0.000 0.197 143 R C 1.106 177.516 176.300 0.182 0.000 0.913 143 R CA 0.068 56.226 56.100 0.097 0.000 1.040 143 R CB 0.211 30.537 30.300 0.044 0.000 0.992 143 R HN 0.415 nan 8.270 nan 0.000 0.500 144 L N 2.093 123.331 121.223 0.025 0.000 2.399 144 L HA 0.361 5.167 4.340 0.777 0.000 0.265 144 L C -2.008 174.787 176.870 -0.126 0.000 1.089 144 L CA -2.245 52.520 54.840 -0.124 0.000 0.802 144 L CB 0.601 42.353 42.059 -0.511 0.000 1.180 144 L HN -0.128 nan 8.230 nan 0.000 0.454 145 P HA 0.168 nan 4.420 nan 0.000 0.282 145 P C -1.436 175.836 177.300 -0.046 0.000 1.249 145 P CA -0.592 62.198 63.100 -0.516 0.000 0.806 145 P CB 0.862 31.899 31.700 -1.106 0.000 0.984 146 D N 1.063 121.508 120.400 0.075 0.000 2.341 146 D HA 0.219 5.325 4.640 0.777 0.000 0.245 146 D C 1.095 177.408 176.300 0.022 0.000 1.106 146 D CA -0.163 53.843 54.000 0.009 0.000 0.905 146 D CB 0.922 41.620 40.800 -0.171 0.000 1.202 146 D HN 0.345 nan 8.370 nan 0.000 0.426 147 A N 1.749 124.611 122.820 0.069 0.000 2.218 147 A HA -0.062 4.724 4.320 0.777 0.000 0.209 147 A C 1.025 178.626 177.584 0.029 0.000 1.168 147 A CA 0.211 52.266 52.037 0.031 0.000 0.804 147 A CB 0.042 18.967 19.000 -0.125 0.000 0.834 147 A HN 0.518 nan 8.150 nan 0.000 0.482 148 D N -0.621 119.808 120.400 0.049 0.000 2.358 148 D HA 0.090 5.196 4.640 0.777 0.000 0.224 148 D C 0.260 176.563 176.300 0.005 0.000 1.123 148 D CA 0.085 54.134 54.000 0.082 0.000 0.833 148 D CB 0.205 41.072 40.800 0.111 0.000 0.946 148 D HN 0.090 nan 8.370 nan 0.000 0.505 149 K N 0.534 120.900 120.400 -0.057 0.000 2.354 149 K HA 0.356 5.142 4.320 0.777 0.000 0.238 149 K C 0.094 176.764 176.600 0.117 0.000 1.068 149 K CA -0.534 55.697 56.287 -0.094 0.000 0.925 149 K CB 0.934 33.080 32.500 -0.589 0.000 1.286 149 K HN 0.101 nan 8.250 nan 0.000 0.500 150 D N -1.538 118.979 120.400 0.195 0.000 2.616 150 D HA 0.375 5.481 4.640 0.777 0.000 0.260 150 D C 0.715 177.207 176.300 0.320 0.000 1.158 150 D CA -0.638 53.507 54.000 0.242 0.000 1.085 150 D CB 0.073 40.993 40.800 0.200 0.000 1.222 150 D HN 0.325 nan 8.370 nan 0.000 0.626 151 A N -0.470 122.526 122.820 0.294 0.000 1.969 151 A HA -0.136 4.650 4.320 0.777 0.000 0.218 151 A C 1.504 179.289 177.584 0.335 0.000 1.169 151 A CA 1.480 53.743 52.037 0.376 0.000 0.635 151 A CB -0.715 18.491 19.000 0.343 0.000 0.810 151 A HN 0.526 nan 8.150 nan 0.000 0.445 152 D N -1.607 118.941 120.400 0.248 0.000 2.144 152 D HA -0.132 4.974 4.640 0.777 0.000 0.200 152 D C 1.628 178.081 176.300 0.254 0.000 0.978 152 D CA 1.384 55.503 54.000 0.197 0.000 0.833 152 D CB -0.417 40.477 40.800 0.156 0.000 0.961 152 D HN 0.633 nan 8.370 nan 0.000 0.470 153 Y N 1.869 122.283 120.300 0.189 0.000 2.145 153 Y HA -0.231 4.778 4.550 0.766 0.000 0.286 153 Y C 2.207 178.279 175.900 0.286 0.000 1.145 153 Y CA 1.242 59.465 58.100 0.206 0.000 1.148 153 Y CB -0.387 38.175 38.460 0.170 0.000 0.981 153 Y HN -0.229 nan 8.280 nan 0.000 0.507 154 V N 1.241 121.368 119.914 0.355 0.000 2.295 154 V HA -0.326 4.260 4.120 0.777 0.000 0.246 154 V C 2.570 178.935 176.094 0.451 0.000 1.049 154 V CA 2.348 64.876 62.300 0.380 0.000 1.024 154 V CB -0.822 31.270 31.823 0.448 0.000 0.648 154 V HN 0.399 nan 8.190 nan 0.000 0.447 155 R N -0.149 120.606 120.500 0.425 0.000 2.080 155 R HA -0.194 4.612 4.340 0.777 0.000 0.236 155 R C 2.377 178.819 176.300 0.236 0.000 1.137 155 R CA 2.359 58.674 56.100 0.360 0.000 0.943 155 R CB -0.622 29.804 30.300 0.210 0.000 0.846 155 R HN 0.527 nan 8.270 nan 0.000 0.431 156 T N 0.792 115.431 114.554 0.141 0.000 2.746 156 T HA -0.168 4.648 4.350 0.777 0.000 0.267 156 T C 1.331 176.028 174.700 -0.006 0.000 1.039 156 T CA 1.475 63.612 62.100 0.061 0.000 1.142 156 T CB -0.423 68.470 68.868 0.041 0.000 0.866 156 T HN 0.309 nan 8.240 nan 0.000 0.444 157 F N 1.172 120.995 119.950 -0.213 0.000 2.065 157 F HA -0.121 4.354 4.527 -0.087 0.000 0.298 157 F C 1.698 177.395 175.800 -0.173 0.000 1.112 157 F CA 1.326 59.123 58.000 -0.338 0.000 1.212 157 F CB -0.603 38.020 39.000 -0.629 0.000 0.975 157 F HN 0.148 nan 8.300 nan 0.000 0.476 158 F N 0.483 120.449 119.950 0.027 0.000 2.558 158 F HA -0.081 4.990 4.527 0.907 0.000 0.298 158 F C 2.357 178.138 175.800 -0.032 0.000 1.119 158 F CA 0.739 58.760 58.000 0.035 0.000 1.451 158 F CB -0.432 38.695 39.000 0.211 0.000 1.091 158 F HN 0.055 nan 8.300 nan 0.000 0.563 159 Q N -0.131 119.737 119.800 0.113 0.000 2.181 159 Q HA -0.237 4.569 4.340 0.777 0.000 0.205 159 Q C 2.237 178.209 176.000 -0.046 0.000 0.980 159 Q CA 1.131 56.966 55.803 0.053 0.000 0.862 159 Q CB -0.263 28.500 28.738 0.040 0.000 0.905 159 Q HN 0.364 nan 8.270 nan 0.000 0.429 160 R N 0.252 120.653 120.500 -0.166 0.000 2.152 160 R HA -0.093 4.713 4.340 0.777 0.000 0.232 160 R C 1.008 177.172 176.300 -0.227 0.000 1.117 160 R CA 0.753 56.704 56.100 -0.249 0.000 0.981 160 R CB 0.206 30.294 30.300 -0.352 0.000 0.870 160 R HN 0.191 nan 8.270 nan 0.000 0.451 161 L N 1.021 122.233 121.223 -0.019 0.000 2.653 161 L HA 0.065 4.871 4.340 0.777 0.000 0.231 161 L C 0.275 177.410 176.870 0.442 0.000 1.153 161 L CA 0.259 55.316 54.840 0.362 0.000 0.933 161 L CB -1.115 41.188 42.059 0.408 0.000 1.175 161 L HN 0.253 nan 8.230 nan 0.000 0.473 162 N N 0.677 119.526 118.700 0.249 0.000 2.735 162 N HA -0.214 4.992 4.740 0.777 0.000 0.248 162 N C -0.269 175.351 175.510 0.184 0.000 1.083 162 N CA 0.555 53.729 53.050 0.207 0.000 0.703 162 N CB -0.411 38.248 38.487 0.288 0.000 1.005 162 N HN 0.084 nan 8.380 nan 0.000 0.550 163 M N 0.599 120.323 119.600 0.206 0.000 2.336 163 M HA 0.343 5.289 4.480 0.777 0.000 0.342 163 M C 0.742 177.117 176.300 0.124 0.000 1.128 163 M CA -0.672 54.717 55.300 0.149 0.000 1.016 163 M CB 1.334 34.019 32.600 0.143 0.000 1.665 163 M HN 0.346 nan 8.290 nan 0.000 0.445 164 N N 0.947 119.695 118.700 0.081 0.000 2.538 164 N HA 0.260 5.466 4.740 0.777 0.000 0.292 164 N C 0.094 175.666 175.510 0.102 0.000 1.262 164 N CA -0.432 52.670 53.050 0.086 0.000 0.976 164 N CB 0.392 38.916 38.487 0.063 0.000 1.161 164 N HN 0.352 nan 8.380 nan 0.000 0.598 165 D N -0.379 120.102 120.400 0.136 0.000 2.123 165 D HA -0.115 4.991 4.640 0.777 0.000 0.196 165 D C 1.642 178.052 176.300 0.182 0.000 0.992 165 D CA 1.375 55.528 54.000 0.254 0.000 0.833 165 D CB -0.034 40.871 40.800 0.175 0.000 0.954 165 D HN 0.476 nan 8.370 nan 0.000 0.455 166 R N 0.350 120.917 120.500 0.112 0.000 2.115 166 R HA -0.044 4.762 4.340 0.777 0.000 0.230 166 R C 2.137 178.522 176.300 0.142 0.000 1.111 166 R CA 0.787 56.959 56.100 0.120 0.000 0.976 166 R CB -0.062 30.301 30.300 0.106 0.000 0.870 166 R HN 0.347 nan 8.270 nan 0.000 0.445 167 E N 0.030 120.267 120.200 0.062 0.000 2.072 167 E HA -0.117 4.699 4.350 0.777 0.000 0.190 167 E C 2.041 178.560 176.600 -0.134 0.000 0.982 167 E CA 0.995 57.391 56.400 -0.008 0.000 0.803 167 E CB 0.095 29.780 29.700 -0.024 0.000 0.755 167 E HN 0.044 nan 8.360 nan 0.000 0.453 168 V N 0.839 120.620 119.914 -0.221 0.000 2.261 168 V HA -0.247 4.339 4.120 0.777 0.000 0.246 168 V C 2.310 178.206 176.094 -0.330 0.000 1.047 168 V CA 1.454 63.436 62.300 -0.530 0.000 1.015 168 V CB -0.374 31.181 31.823 -0.446 0.000 0.642 168 V HN 0.145 nan 8.190 nan 0.000 0.446 169 V N 0.201 120.049 119.914 -0.111 0.000 2.407 169 V HA -0.241 4.345 4.120 0.777 0.000 0.248 169 V C 2.650 178.932 176.094 0.314 0.000 1.055 169 V CA 1.922 64.257 62.300 0.059 0.000 1.049 169 V CB -1.092 30.805 31.823 0.123 0.000 0.662 169 V HN 0.563 nan 8.190 nan 0.000 0.455 170 A N -0.338 122.693 122.820 0.352 0.000 1.898 170 A HA -0.122 4.664 4.320 0.777 0.000 0.216 170 A C 2.218 180.052 177.584 0.416 0.000 1.181 170 A CA 1.606 53.887 52.037 0.407 0.000 0.620 170 A CB -0.483 18.648 19.000 0.219 0.000 0.819 170 A HN 0.484 nan 8.150 nan 0.000 0.442 171 L N -1.832 119.435 121.223 0.073 0.000 2.046 171 L HA -0.163 4.643 4.340 0.777 0.000 0.208 171 L C 2.687 179.465 176.870 -0.153 0.000 1.077 171 L CA 1.588 56.403 54.840 -0.043 0.000 0.747 171 L CB -0.337 41.539 42.059 -0.305 0.000 0.896 171 L HN 0.406 nan 8.230 nan 0.000 0.432 172 M N -0.062 119.324 119.600 -0.358 0.000 2.539 172 M HA -0.075 4.871 4.480 0.777 0.000 0.261 172 M C 1.826 177.395 176.300 -1.219 0.000 1.069 172 M CA 1.132 55.971 55.300 -0.769 0.000 1.081 172 M CB -0.449 31.791 32.600 -0.600 0.000 1.412 172 M HN 0.162 nan 8.290 nan 0.000 0.482 173 G N -1.043 107.379 108.800 -0.630 0.000 2.559 173 G HA2 -0.039 4.387 3.960 0.777 0.000 0.216 173 G HA3 -0.039 4.387 3.960 0.777 0.000 0.216 173 G C 1.488 175.915 174.900 -0.789 0.000 1.126 173 G CA 0.658 45.235 45.100 -0.872 0.000 0.778 173 G HN 0.598 nan 8.290 nan 0.000 0.543 174 A N 0.247 122.740 122.820 -0.546 0.000 2.070 174 A HA -0.061 4.725 4.320 0.777 0.000 0.220 174 A C 1.730 179.036 177.584 -0.464 0.000 1.159 174 A CA 0.964 52.734 52.037 -0.445 0.000 0.656 174 A CB -0.692 18.242 19.000 -0.109 0.000 0.800 174 A HN 0.619 nan 8.150 nan 0.000 0.453 175 H N -0.740 117.780 119.070 -0.916 0.000 2.562 175 H HA 0.187 5.207 4.556 0.773 0.000 0.274 175 H C 2.070 177.015 175.328 -0.640 0.000 1.038 175 H CA -0.081 55.318 56.048 -1.081 0.000 1.161 175 H CB 0.109 28.924 29.762 -1.578 0.000 1.318 175 H HN 0.605 nan 8.280 nan 0.000 0.617 176 A N 0.862 123.423 122.820 -0.431 0.000 2.019 176 A HA -0.073 4.713 4.320 0.777 0.000 0.219 176 A C 1.035 178.549 177.584 -0.116 0.000 1.164 176 A CA 0.636 52.516 52.037 -0.263 0.000 0.644 176 A CB -0.164 18.573 19.000 -0.438 0.000 0.805 176 A HN 0.256 nan 8.150 nan 0.000 0.449 177 L N -0.585 120.581 121.223 -0.094 0.000 2.292 177 L HA 0.551 5.357 4.340 0.777 0.000 0.284 177 L C 1.143 178.134 176.870 0.202 0.000 1.065 177 L CA 0.204 55.063 54.840 0.032 0.000 0.806 177 L CB 0.768 42.839 42.059 0.021 0.000 1.175 177 L HN 0.602 nan 8.230 nan 0.000 0.431 178 G N 3.365 112.242 108.800 0.129 0.000 2.512 178 G HA2 -0.210 4.216 3.960 0.777 0.000 0.240 178 G HA3 -0.210 4.216 3.960 0.777 0.000 0.240 178 G C -0.772 174.118 174.900 -0.018 0.000 1.246 178 G CA 0.186 45.336 45.100 0.084 0.000 0.919 178 G HN 0.938 nan 8.290 nan 0.000 0.577 179 K N -1.767 118.502 120.400 -0.219 0.000 2.578 179 K HA 0.710 5.496 4.320 0.777 0.000 0.287 179 K C -0.346 175.813 176.600 -0.735 0.000 1.010 179 K CA -0.225 55.675 56.287 -0.643 0.000 0.889 179 K CB 1.225 33.418 32.500 -0.512 0.000 1.514 179 K HN 1.356 nan 8.250 nan 0.000 0.424 180 T N -0.916 113.170 114.554 -0.780 0.000 2.922 180 T HA 0.452 5.268 4.350 0.777 0.000 0.285 180 T C -0.719 173.746 174.700 -0.391 0.000 1.005 180 T CA -0.493 61.374 62.100 -0.388 0.000 1.061 180 T CB 0.523 69.266 68.868 -0.208 0.000 1.007 180 T HN 0.626 nan 8.240 nan 0.000 0.502 181 H N 1.106 120.159 119.070 -0.030 0.000 2.744 181 H HA 0.409 5.430 4.556 0.774 0.000 0.339 181 H C 0.552 175.881 175.328 0.002 0.000 1.004 181 H CA -0.859 55.176 56.048 -0.022 0.000 1.257 181 H CB 1.645 31.395 29.762 -0.020 0.000 1.552 181 H HN 0.487 nan 8.280 nan 0.000 0.522 182 L N 2.972 124.250 121.223 0.091 0.000 2.079 182 L HA -0.156 4.650 4.340 0.777 0.000 0.210 182 L C 2.291 179.182 176.870 0.035 0.000 1.081 182 L CA 2.350 57.210 54.840 0.034 0.000 0.752 182 L CB -0.504 41.555 42.059 0.001 0.000 0.896 182 L HN 0.764 nan 8.230 nan 0.000 0.433 183 K N -0.606 119.825 120.400 0.051 0.000 2.365 183 K HA -0.032 4.754 4.320 0.777 0.000 0.199 183 K C 2.113 178.739 176.600 0.042 0.000 1.045 183 K CA 1.316 57.622 56.287 0.032 0.000 0.962 183 K CB -0.607 31.907 32.500 0.023 0.000 0.759 183 K HN 0.514 nan 8.250 nan 0.000 0.469 184 R N -0.336 120.209 120.500 0.075 0.000 2.105 184 R HA 0.009 4.815 4.340 0.777 0.000 0.214 184 R C 2.066 178.431 176.300 0.108 0.000 1.091 184 R CA 1.656 57.803 56.100 0.079 0.000 1.007 184 R CB 0.365 30.711 30.300 0.078 0.000 0.912 184 R HN 0.565 nan 8.270 nan 0.000 0.450 185 S N -2.336 113.446 115.700 0.136 0.000 2.728 185 S HA 0.224 5.160 4.470 0.777 0.000 0.257 185 S C 1.063 175.717 174.600 0.090 0.000 1.060 185 S CA 0.233 58.544 58.200 0.185 0.000 1.126 185 S CB 1.596 64.986 63.200 0.316 0.000 1.099 185 S HN 0.415 nan 8.310 nan 0.000 0.617 186 G N 0.462 109.241 108.800 -0.035 0.000 2.132 186 G HA2 -0.213 4.213 3.960 0.777 0.000 0.234 186 G HA3 -0.213 4.213 3.960 0.777 0.000 0.234 186 G C -0.342 174.228 174.900 -0.550 0.000 0.989 186 G CA 0.275 45.216 45.100 -0.265 0.000 0.676 186 G HN 0.565 nan 8.290 nan 0.000 0.522 187 Y N -0.737 119.576 120.300 0.021 0.000 2.512 187 Y HA 0.711 5.725 4.550 0.774 0.000 0.348 187 Y C 0.024 175.899 175.900 -0.040 0.000 0.990 187 Y CA -1.217 56.883 58.100 -0.001 0.000 1.033 187 Y CB 2.331 40.800 38.460 0.016 0.000 1.259 187 Y HN 0.165 nan 8.280 nan 0.000 0.461 188 E N 0.949 121.201 120.200 0.087 0.000 2.290 188 E HA 0.713 5.529 4.350 0.777 0.000 0.274 188 E C -0.692 175.878 176.600 -0.051 0.000 0.889 188 E CA -0.324 56.066 56.400 -0.018 0.000 0.760 188 E CB 1.873 31.565 29.700 -0.014 0.000 1.206 188 E HN 0.938 nan 8.360 nan 0.000 0.419 189 G N 3.592 112.303 108.800 -0.147 0.000 2.335 189 G HA2 0.120 4.546 3.960 0.777 0.000 0.592 189 G HA3 0.120 4.546 3.960 0.777 0.000 0.592 189 G C -3.053 171.699 174.900 -0.246 0.000 1.442 189 G CA -0.581 44.445 45.100 -0.123 0.000 0.976 189 G HN 0.466 nan 8.290 nan 0.000 0.652 190 P HA 0.425 nan 4.420 nan 0.000 0.275 190 P C 0.451 177.702 177.300 -0.080 0.000 1.228 190 P CA -0.391 62.617 63.100 -0.155 0.000 0.786 190 P CB 0.663 32.361 31.700 -0.004 0.000 0.927 191 F N 1.200 121.142 119.950 -0.013 0.000 2.163 191 F HA 0.130 5.122 4.527 0.774 0.000 0.297 191 F C 1.950 177.701 175.800 -0.082 0.000 1.094 191 F CA 1.935 59.939 58.000 0.006 0.000 1.290 191 F CB -0.723 38.257 39.000 -0.034 0.000 1.017 191 F HN 0.428 nan 8.300 nan 0.000 0.483 192 G N -2.201 106.560 108.800 -0.064 0.000 3.021 192 G HA2 0.519 4.945 3.960 0.777 0.000 0.290 192 G HA3 0.519 4.945 3.960 0.777 0.000 0.290 192 G C 0.410 175.003 174.900 -0.512 0.000 1.291 192 G CA -0.043 44.716 45.100 -0.568 0.000 0.834 192 G HN 0.126 nan 8.290 nan 0.000 0.564 193 A N -0.818 121.714 122.820 -0.480 0.000 1.878 193 A HA 0.576 5.362 4.320 0.777 0.000 0.213 193 A C 1.685 179.256 177.584 -0.022 0.000 1.192 193 A CA 1.890 53.878 52.037 -0.081 0.000 0.619 193 A CB -0.539 18.479 19.000 0.029 0.000 0.837 193 A HN 1.731 nan 8.150 nan 0.000 0.446 194 A N 0.500 123.292 122.820 -0.046 0.000 2.736 194 A HA 0.455 5.241 4.320 0.777 0.000 0.335 194 A C 0.234 177.812 177.584 -0.010 0.000 1.446 194 A CA -0.402 51.630 52.037 -0.007 0.000 1.028 194 A CB -0.794 18.207 19.000 0.003 0.000 1.154 194 A HN 0.563 nan 8.150 nan 0.000 0.507 195 N N 1.331 120.034 118.700 0.005 0.000 2.364 195 N HA -0.158 5.048 4.740 0.777 0.000 0.183 195 N C 0.723 176.247 175.510 0.023 0.000 1.022 195 N CA 1.357 54.415 53.050 0.013 0.000 0.883 195 N CB 0.043 38.539 38.487 0.015 0.000 0.965 195 N HN 0.743 nan 8.380 nan 0.000 0.438 196 N N -0.644 118.075 118.700 0.031 0.000 2.365 196 N HA 0.110 5.316 4.740 0.777 0.000 0.257 196 N C -1.343 174.201 175.510 0.056 0.000 1.287 196 N CA -0.192 52.882 53.050 0.041 0.000 0.882 196 N CB 0.191 38.704 38.487 0.043 0.000 1.250 196 N HN -0.149 nan 8.380 nan 0.000 0.507 197 V N 1.203 121.150 119.914 0.055 0.000 2.531 197 V HA 0.416 5.002 4.120 0.777 0.000 0.301 197 V C -0.935 175.219 176.094 0.099 0.000 1.034 197 V CA -0.981 61.372 62.300 0.088 0.000 0.865 197 V CB 1.616 33.486 31.823 0.078 0.000 0.995 197 V HN 0.213 nan 8.190 nan 0.000 0.424 198 F N 5.415 125.362 119.950 -0.005 0.000 2.444 198 F HA 0.574 5.564 4.527 0.773 0.000 0.360 198 F C 0.706 176.599 175.800 0.155 0.000 1.106 198 F CA 0.503 58.479 58.000 -0.039 0.000 1.170 198 F CB 0.691 39.559 39.000 -0.220 0.000 1.113 198 F HN 0.717 nan 8.300 nan 0.000 0.521 199 T N 0.765 115.326 114.554 0.010 0.000 2.754 199 T HA 0.236 5.052 4.350 0.777 0.000 0.296 199 T C 0.029 174.815 174.700 0.144 0.000 1.205 199 T CA -0.752 61.504 62.100 0.260 0.000 1.009 199 T CB 1.154 70.092 68.868 0.117 0.000 1.368 199 T HN 0.620 nan 8.240 nan 0.000 0.509 200 N N -0.620 118.207 118.700 0.211 0.000 2.375 200 N HA 0.053 5.259 4.740 0.777 0.000 0.220 200 N C 1.094 176.573 175.510 -0.052 0.000 1.170 200 N CA -0.356 52.692 53.050 -0.003 0.000 0.833 200 N CB 0.145 38.718 38.487 0.143 0.000 1.069 200 N HN 0.716 nan 8.380 nan 0.000 0.479 201 E N 0.543 120.684 120.200 -0.098 0.000 2.274 201 E HA -0.204 4.612 4.350 0.777 0.000 0.194 201 E C 1.081 177.600 176.600 -0.135 0.000 0.996 201 E CA 0.453 56.804 56.400 -0.083 0.000 0.840 201 E CB -0.098 29.549 29.700 -0.089 0.000 0.772 201 E HN 0.566 nan 8.360 nan 0.000 0.491 202 F N 0.640 120.304 119.950 -0.477 0.000 2.126 202 F HA -0.263 4.732 4.527 0.780 0.000 0.299 202 F C 1.416 176.891 175.800 -0.541 0.000 1.096 202 F CA 1.721 59.371 58.000 -0.583 0.000 1.255 202 F CB -0.360 38.099 39.000 -0.901 0.000 0.997 202 F HN 0.055 nan 8.300 nan 0.000 0.479 203 Y N -0.080 120.124 120.300 -0.161 0.000 2.184 203 Y HA -0.136 4.879 4.550 0.775 0.000 0.290 203 Y C 2.355 178.157 175.900 -0.163 0.000 1.129 203 Y CA 1.263 59.233 58.100 -0.216 0.000 1.144 203 Y CB -0.815 37.574 38.460 -0.119 0.000 0.995 203 Y HN 0.012 nan 8.280 nan 0.000 0.513 204 L N 0.001 121.248 121.223 0.041 0.000 2.017 204 L HA -0.261 4.545 4.340 0.777 0.000 0.208 204 L C 2.093 178.989 176.870 0.043 0.000 1.073 204 L CA 1.282 56.144 54.840 0.036 0.000 0.745 204 L CB -0.619 41.462 42.059 0.037 0.000 0.894 204 L HN 0.262 nan 8.230 nan 0.000 0.432 205 N N 0.222 118.945 118.700 0.039 0.000 2.069 205 N HA -0.184 5.022 4.740 0.777 0.000 0.191 205 N C 1.952 177.674 175.510 0.353 0.000 1.031 205 N CA 1.328 54.498 53.050 0.199 0.000 0.852 205 N CB -0.544 38.075 38.487 0.220 0.000 1.018 205 N HN 0.250 nan 8.380 nan 0.000 0.423 206 L N 0.545 121.774 121.223 0.010 0.000 2.043 206 L HA -0.153 4.653 4.340 0.777 0.000 0.212 206 L C 2.168 179.083 176.870 0.075 0.000 1.075 206 L CA 1.010 55.774 54.840 -0.128 0.000 0.752 206 L CB -0.329 41.387 42.059 -0.571 0.000 0.891 206 L HN 0.160 nan 8.230 nan 0.000 0.432 207 L N -1.234 120.005 121.223 0.028 0.000 2.162 207 L HA -0.103 4.703 4.340 0.777 0.000 0.205 207 L C 1.746 178.661 176.870 0.075 0.000 1.086 207 L CA 1.295 56.148 54.840 0.022 0.000 0.778 207 L CB -0.303 41.755 42.059 -0.002 0.000 0.928 207 L HN 0.347 nan 8.230 nan 0.000 0.446 208 N N -1.682 117.078 118.700 0.099 0.000 2.368 208 N HA 0.015 5.221 4.740 0.777 0.000 0.178 208 N C 0.240 175.758 175.510 0.013 0.000 1.076 208 N CA -0.216 52.867 53.050 0.054 0.000 0.889 208 N CB 0.688 39.200 38.487 0.042 0.000 1.040 208 N HN 0.126 nan 8.380 nan 0.000 0.463 209 E N 0.948 121.151 120.200 0.005 0.000 2.374 209 E HA -0.008 4.808 4.350 0.777 0.000 0.260 209 E C -0.946 175.403 176.600 -0.418 0.000 1.101 209 E CA 0.081 56.287 56.400 -0.324 0.000 0.907 209 E CB 0.987 30.261 29.700 -0.710 0.000 1.014 209 E HN -0.057 nan 8.360 nan 0.000 0.427 210 D N 1.836 121.970 120.400 -0.443 0.000 2.411 210 D HA 0.187 5.293 4.640 0.777 0.000 0.225 210 D C -1.076 175.056 176.300 -0.279 0.000 1.156 210 D CA -0.353 53.501 54.000 -0.242 0.000 0.874 210 D CB -0.262 40.454 40.800 -0.140 0.000 1.034 210 D HN 0.228 nan 8.370 nan 0.000 0.502 211 W N 2.482 123.882 121.300 0.168 0.000 2.417 211 W HA 0.437 5.567 4.660 0.783 0.000 0.317 211 W C 0.514 177.234 176.519 0.336 0.000 1.121 211 W CA -0.908 56.599 57.345 0.269 0.000 1.208 211 W CB 1.551 31.212 29.460 0.336 0.000 1.253 211 W HN 0.125 nan 8.180 nan 0.000 0.533 212 K N 3.234 123.928 120.400 0.490 0.000 2.292 212 K HA 0.452 5.238 4.320 0.777 0.000 0.257 212 K C -1.102 175.498 176.600 0.001 0.000 0.940 212 K CA -1.168 55.265 56.287 0.243 0.000 0.811 212 K CB 1.846 34.402 32.500 0.092 0.000 1.120 212 K HN 0.430 nan 8.250 nan 0.000 0.428 213 L N 2.975 123.921 121.223 -0.463 0.000 2.385 213 L HA 0.303 5.109 4.340 0.777 0.000 0.281 213 L C -0.068 176.538 176.870 -0.439 0.000 1.106 213 L CA 0.869 55.119 54.840 -0.984 0.000 0.856 213 L CB -0.378 40.901 42.059 -1.299 0.000 1.186 213 L HN 0.719 nan 8.230 nan 0.000 0.453 214 E N 4.049 124.065 120.200 -0.307 0.000 2.359 214 E HA 0.444 5.260 4.350 0.777 0.000 0.266 214 E C -1.006 175.513 176.600 -0.134 0.000 0.920 214 E CA -1.159 55.146 56.400 -0.159 0.000 0.788 214 E CB 1.925 31.580 29.700 -0.074 0.000 1.279 214 E HN 0.400 nan 8.360 nan 0.000 0.438 215 K N 1.837 122.181 120.400 -0.094 0.000 2.183 215 K HA 0.195 4.981 4.320 0.777 0.000 0.274 215 K C -0.249 176.319 176.600 -0.053 0.000 1.009 215 K CA -0.502 55.740 56.287 -0.074 0.000 0.888 215 K CB 0.740 33.198 32.500 -0.070 0.000 1.078 215 K HN 0.450 nan 8.250 nan 0.000 0.459 216 N N 0.781 119.450 118.700 -0.050 0.000 2.418 216 N HA 0.057 5.263 4.740 0.777 0.000 0.283 216 N C 0.158 175.635 175.510 -0.055 0.000 1.267 216 N CA -0.307 52.718 53.050 -0.041 0.000 0.975 216 N CB 0.355 38.823 38.487 -0.032 0.000 1.167 216 N HN 0.310 nan 8.380 nan 0.000 0.581 217 D N -1.347 119.024 120.400 -0.048 0.000 2.350 217 D HA 0.019 5.125 4.640 0.777 0.000 0.216 217 D C 0.771 177.036 176.300 -0.057 0.000 0.968 217 D CA 0.777 54.750 54.000 -0.045 0.000 0.894 217 D CB -0.311 40.469 40.800 -0.033 0.000 0.909 217 D HN 0.670 nan 8.370 nan 0.000 0.520 218 A N 0.377 123.147 122.820 -0.084 0.000 2.345 218 A HA 0.088 4.874 4.320 0.777 0.000 0.225 218 A C 0.861 178.383 177.584 -0.103 0.000 1.243 218 A CA -0.006 51.971 52.037 -0.099 0.000 0.875 218 A CB -0.269 18.645 19.000 -0.144 0.000 0.929 218 A HN 0.121 nan 8.150 nan 0.000 0.502 219 N N -0.178 118.468 118.700 -0.089 0.000 2.776 219 N HA -0.136 5.070 4.740 0.777 0.000 0.249 219 N C -1.187 174.266 175.510 -0.095 0.000 1.111 219 N CA 0.908 53.911 53.050 -0.079 0.000 0.711 219 N CB -1.608 36.842 38.487 -0.061 0.000 1.065 219 N HN 0.544 nan 8.380 nan 0.000 0.556 220 N N 0.787 119.408 118.700 -0.131 0.000 2.361 220 N HA 0.243 5.449 4.740 0.777 0.000 0.302 220 N C -0.666 174.804 175.510 -0.066 0.000 1.074 220 N CA -0.378 52.589 53.050 -0.138 0.000 0.850 220 N CB 1.059 39.333 38.487 -0.355 0.000 1.228 220 N HN 0.225 nan 8.380 nan 0.000 0.491 221 E N 1.097 121.287 120.200 -0.016 0.000 2.313 221 E HA 0.147 4.963 4.350 0.777 0.000 0.276 221 E C -0.223 176.410 176.600 0.054 0.000 1.031 221 E CA -0.188 56.182 56.400 -0.050 0.000 0.857 221 E CB 0.935 30.569 29.700 -0.111 0.000 1.040 221 E HN 0.502 nan 8.360 nan 0.000 0.408 222 Q N 1.569 121.349 119.800 -0.035 0.000 2.511 222 Q HA 0.395 5.201 4.340 0.777 0.000 0.289 222 Q C -1.490 174.442 176.000 -0.113 0.000 1.021 222 Q CA -1.045 54.788 55.803 0.050 0.000 0.785 222 Q CB 0.951 29.843 28.738 0.256 0.000 1.472 222 Q HN 0.392 nan 8.270 nan 0.000 0.411 223 W N 1.361 122.685 121.300 0.040 0.000 2.335 223 W HA 0.433 5.556 4.660 0.772 0.000 0.307 223 W C -0.809 175.922 176.519 0.353 0.000 1.117 223 W CA 0.106 57.495 57.345 0.075 0.000 1.228 223 W CB 1.246 30.604 29.460 -0.171 0.000 1.240 223 W HN 0.430 nan 8.180 nan 0.000 0.468 224 D N 1.776 122.502 120.400 0.544 0.000 2.362 224 D HA 0.311 5.417 4.640 0.777 0.000 0.247 224 D C -0.234 176.234 176.300 0.281 0.000 1.050 224 D CA -0.390 53.857 54.000 0.412 0.000 0.839 224 D CB 1.876 42.780 40.800 0.174 0.000 1.283 224 D HN 0.239 nan 8.370 nan 0.000 0.477 225 S N -0.419 115.261 115.700 -0.033 0.000 2.651 225 S HA 0.540 5.476 4.470 0.777 0.000 0.291 225 S C 1.216 175.621 174.600 -0.326 0.000 1.141 225 S CA -0.529 57.389 58.200 -0.470 0.000 1.027 225 S CB 1.792 64.304 63.200 -1.147 0.000 1.043 225 S HN 0.437 nan 8.310 nan 0.000 0.530 226 K N 1.116 121.326 120.400 -0.318 0.000 2.211 226 K HA -0.015 4.771 4.320 0.777 0.000 0.204 226 K C 2.088 178.502 176.600 -0.310 0.000 1.047 226 K CA 2.117 58.259 56.287 -0.242 0.000 0.935 226 K CB -1.519 30.865 32.500 -0.193 0.000 0.728 226 K HN 0.637 nan 8.250 nan 0.000 0.452 227 S N -1.120 114.279 115.700 -0.501 0.000 2.474 227 S HA 0.235 5.171 4.470 0.777 0.000 0.235 227 S C 1.658 175.876 174.600 -0.636 0.000 0.997 227 S CA 0.920 58.713 58.200 -0.678 0.000 0.949 227 S CB -0.151 62.294 63.200 -1.258 0.000 0.766 227 S HN 1.321 nan 8.310 nan 0.000 0.517 228 G N -0.101 108.434 108.800 -0.442 0.000 2.144 228 G HA2 -0.224 4.202 3.960 0.777 0.000 0.218 228 G HA3 -0.224 4.202 3.960 0.777 0.000 0.218 228 G C -0.034 174.865 174.900 -0.002 0.000 0.988 228 G CA -0.217 44.769 45.100 -0.191 0.000 0.659 228 G HN 0.553 nan 8.290 nan 0.000 0.522 229 Y N -0.673 119.642 120.300 0.025 0.000 2.458 229 Y HA 0.736 5.752 4.550 0.777 0.000 0.322 229 Y C 0.666 176.754 175.900 0.313 0.000 1.259 229 Y CA -1.006 57.188 58.100 0.157 0.000 1.302 229 Y CB 1.200 39.804 38.460 0.239 0.000 1.314 229 Y HN 0.326 nan 8.280 nan 0.000 0.509 230 M N 0.799 120.747 119.600 0.580 0.000 2.531 230 M HA 0.638 5.584 4.480 0.777 0.000 0.286 230 M C -1.796 174.782 176.300 0.463 0.000 1.232 230 M CA -1.020 54.590 55.300 0.515 0.000 0.877 230 M CB 2.198 34.950 32.600 0.254 0.000 1.726 230 M HN 0.375 nan 8.290 nan 0.000 0.463 231 M N 2.646 122.432 119.600 0.310 0.000 2.518 231 M HA 0.586 5.532 4.480 0.777 0.000 0.300 231 M C -1.197 175.237 176.300 0.223 0.000 1.175 231 M CA -0.512 54.892 55.300 0.174 0.000 0.890 231 M CB 2.290 34.730 32.600 -0.265 0.000 1.710 231 M HN 0.919 nan 8.290 nan 0.000 0.453 232 L N 2.573 123.907 121.223 0.185 0.000 2.452 232 L HA 0.163 4.969 4.340 0.777 0.000 0.267 232 L C -1.378 175.616 176.870 0.206 0.000 1.188 232 L CA -1.427 53.443 54.840 0.050 0.000 0.821 232 L CB -0.040 41.982 42.059 -0.062 0.000 1.102 232 L HN 0.440 nan 8.230 nan 0.000 0.470 233 P HA -0.221 nan 4.420 nan 0.000 0.216 233 P C 1.547 179.001 177.300 0.255 0.000 1.154 233 P CA 1.903 65.202 63.100 0.332 0.000 0.865 233 P CB -0.033 31.800 31.700 0.222 0.000 0.789 234 T N -3.904 110.757 114.554 0.178 0.000 2.833 234 T HA -0.158 4.658 4.350 0.777 0.000 0.269 234 T C 1.427 176.224 174.700 0.162 0.000 1.054 234 T CA 1.391 63.604 62.100 0.189 0.000 1.135 234 T CB -1.075 67.913 68.868 0.201 0.000 0.869 234 T HN 0.043 nan 8.240 nan 0.000 0.466 235 D N 0.525 121.026 120.400 0.169 0.000 2.092 235 D HA -0.100 5.006 4.640 0.777 0.000 0.193 235 D C 1.711 177.982 176.300 -0.049 0.000 0.994 235 D CA 1.304 55.402 54.000 0.164 0.000 0.828 235 D CB -0.627 40.299 40.800 0.210 0.000 0.963 235 D HN 0.514 nan 8.370 nan 0.000 0.450 236 Y N 1.633 121.790 120.300 -0.238 0.000 2.352 236 Y HA -0.197 4.817 4.550 0.774 0.000 0.292 236 Y C 2.411 178.140 175.900 -0.285 0.000 1.136 236 Y CA 1.445 59.244 58.100 -0.502 0.000 1.227 236 Y CB -0.075 37.820 38.460 -0.941 0.000 0.991 236 Y HN -0.041 nan 8.280 nan 0.000 0.545 237 S N -0.367 115.357 115.700 0.039 0.000 2.469 237 S HA -0.176 4.760 4.470 0.777 0.000 0.238 237 S C 1.732 176.371 174.600 0.065 0.000 0.998 237 S CA 1.284 59.544 58.200 0.100 0.000 0.957 237 S CB -0.875 62.451 63.200 0.209 0.000 0.764 237 S HN 0.560 nan 8.310 nan 0.000 0.514 238 L N 0.974 122.167 121.223 -0.051 0.000 2.376 238 L HA 0.179 4.985 4.340 0.777 0.000 0.219 238 L C 2.228 179.056 176.870 -0.070 0.000 1.133 238 L CA 0.980 55.795 54.840 -0.041 0.000 0.816 238 L CB -0.593 41.383 42.059 -0.139 0.000 0.933 238 L HN 0.549 nan 8.230 nan 0.000 0.449 239 I N -4.943 115.462 120.570 -0.275 0.000 4.057 239 I HA 0.030 4.666 4.170 0.777 0.000 0.334 239 I C 1.880 177.841 176.117 -0.260 0.000 1.308 239 I CA 0.204 61.310 61.300 -0.323 0.000 1.125 239 I CB 0.044 37.731 38.000 -0.523 0.000 1.034 239 I HN 0.122 nan 8.210 nan 0.000 0.401 240 Q N 1.326 121.014 119.800 -0.186 0.000 2.250 240 Q HA 0.053 4.859 4.340 0.777 0.000 0.200 240 Q C 0.517 176.521 176.000 0.007 0.000 0.941 240 Q CA 0.611 56.381 55.803 -0.054 0.000 0.872 240 Q CB 0.269 29.027 28.738 0.034 0.000 0.965 240 Q HN 0.532 nan 8.270 nan 0.000 0.480 241 D N 0.881 121.309 120.400 0.046 0.000 2.225 241 D HA 0.047 5.153 4.640 0.777 0.000 0.248 241 D C -1.809 174.484 176.300 -0.012 0.000 1.096 241 D CA -2.090 51.922 54.000 0.020 0.000 0.863 241 D CB 1.785 42.599 40.800 0.023 0.000 1.156 241 D HN -0.091 nan 8.370 nan 0.000 0.450 242 P HA -0.118 nan 4.420 nan 0.000 0.220 242 P C 1.049 178.318 177.300 -0.050 0.000 1.148 242 P CA 0.731 63.807 63.100 -0.040 0.000 0.803 242 P CB 0.429 32.105 31.700 -0.039 0.000 0.782 243 K N -0.976 119.366 120.400 -0.097 0.000 2.067 243 K HA -0.033 4.753 4.320 0.777 0.000 0.203 243 K C 2.383 178.971 176.600 -0.021 0.000 1.048 243 K CA 1.004 57.228 56.287 -0.105 0.000 0.954 243 K CB -1.681 30.711 32.500 -0.181 0.000 0.737 243 K HN 0.365 nan 8.250 nan 0.000 0.444 244 Y N 0.482 120.762 120.300 -0.033 0.000 2.165 244 Y HA -0.214 4.800 4.550 0.773 0.000 0.286 244 Y C 2.394 178.252 175.900 -0.070 0.000 1.155 244 Y CA 0.898 58.975 58.100 -0.037 0.000 1.164 244 Y CB -0.247 38.205 38.460 -0.012 0.000 0.978 244 Y HN 0.050 nan 8.280 nan 0.000 0.513 245 L N -0.241 121.036 121.223 0.091 0.000 2.046 245 L HA -0.212 4.594 4.340 0.777 0.000 0.208 245 L C 2.301 179.145 176.870 -0.042 0.000 1.077 245 L CA 1.765 56.599 54.840 -0.010 0.000 0.747 245 L CB -0.879 41.156 42.059 -0.040 0.000 0.896 245 L HN -0.033 nan 8.230 nan 0.000 0.432 246 S N -0.032 115.642 115.700 -0.044 0.000 2.374 246 S HA -0.204 4.732 4.470 0.777 0.000 0.227 246 S C 1.927 176.443 174.600 -0.140 0.000 1.037 246 S CA 2.043 60.196 58.200 -0.078 0.000 1.024 246 S CB -0.578 62.581 63.200 -0.069 0.000 0.861 246 S HN 0.552 nan 8.310 nan 0.000 0.456 247 I N 0.826 121.305 120.570 -0.152 0.000 2.286 247 I HA -0.102 4.534 4.170 0.777 0.000 0.245 247 I C 2.190 178.042 176.117 -0.441 0.000 1.104 247 I CA 0.635 61.729 61.300 -0.342 0.000 1.397 247 I CB -0.665 37.177 38.000 -0.263 0.000 1.072 247 I HN 0.123 nan 8.210 nan 0.000 0.417 248 V N 1.453 121.255 119.914 -0.187 0.000 2.252 248 V HA -0.349 4.237 4.120 0.777 0.000 0.249 248 V C 2.524 178.535 176.094 -0.138 0.000 1.056 248 V CA 2.099 64.348 62.300 -0.085 0.000 1.022 248 V CB -0.725 31.110 31.823 0.021 0.000 0.641 248 V HN 0.402 nan 8.190 nan 0.000 0.445 249 K N -0.557 119.770 120.400 -0.121 0.000 2.103 249 K HA -0.242 4.544 4.320 0.777 0.000 0.207 249 K C 2.239 178.766 176.600 -0.122 0.000 1.048 249 K CA 1.707 57.938 56.287 -0.094 0.000 0.930 249 K CB -0.196 32.257 32.500 -0.077 0.000 0.716 249 K HN 0.588 nan 8.250 nan 0.000 0.444 250 E N 0.319 120.392 120.200 -0.211 0.000 2.031 250 E HA -0.202 4.614 4.350 0.777 0.000 0.193 250 E C 1.736 178.256 176.600 -0.133 0.000 0.994 250 E CA 1.349 57.621 56.400 -0.214 0.000 0.800 250 E CB -0.092 29.404 29.700 -0.340 0.000 0.752 250 E HN 0.451 nan 8.360 nan 0.000 0.447 251 Y N -0.216 119.918 120.300 -0.277 0.000 2.293 251 Y HA -0.112 4.903 4.550 0.774 0.000 0.291 251 Y C 2.417 178.168 175.900 -0.249 0.000 1.137 251 Y CA 0.069 57.940 58.100 -0.382 0.000 1.202 251 Y CB -0.027 37.795 38.460 -1.064 0.000 0.990 251 Y HN 0.197 nan 8.280 nan 0.000 0.537 252 A N 0.358 123.157 122.820 -0.034 0.000 2.024 252 A HA -0.185 4.601 4.320 0.777 0.000 0.220 252 A C 1.609 179.216 177.584 0.038 0.000 1.164 252 A CA 1.665 53.735 52.037 0.055 0.000 0.643 252 A CB -0.375 18.653 19.000 0.048 0.000 0.806 252 A HN 0.434 nan 8.150 nan 0.000 0.451 253 N N -0.594 118.119 118.700 0.021 0.000 2.187 253 N HA 0.063 5.269 4.740 0.777 0.000 0.212 253 N C -0.966 174.564 175.510 0.032 0.000 1.152 253 N CA 0.207 53.268 53.050 0.018 0.000 0.872 253 N CB 0.801 39.287 38.487 -0.001 0.000 1.025 253 N HN 0.354 nan 8.380 nan 0.000 0.514 254 D N 0.569 121.008 120.400 0.065 0.000 2.351 254 D HA 0.105 5.211 4.640 0.777 0.000 0.235 254 D C 0.744 177.112 176.300 0.115 0.000 1.331 254 D CA -0.133 53.914 54.000 0.078 0.000 0.959 254 D CB 0.693 41.547 40.800 0.091 0.000 1.432 254 D HN -0.092 nan 8.370 nan 0.000 0.544 255 Q N 0.970 120.797 119.800 0.046 0.000 2.096 255 Q HA -0.175 4.631 4.340 0.777 0.000 0.204 255 Q C 0.897 176.845 176.000 -0.086 0.000 0.982 255 Q CA 1.591 57.390 55.803 -0.006 0.000 0.850 255 Q CB 0.228 28.863 28.738 -0.171 0.000 0.901 255 Q HN 0.415 nan 8.270 nan 0.000 0.422 256 D N 0.386 120.738 120.400 -0.080 0.000 2.117 256 D HA -0.169 4.937 4.640 0.777 0.000 0.198 256 D C 1.935 178.278 176.300 0.071 0.000 0.982 256 D CA 0.931 54.899 54.000 -0.053 0.000 0.828 256 D CB 0.085 40.867 40.800 -0.029 0.000 0.967 256 D HN -0.041 nan 8.370 nan 0.000 0.464 257 R N -0.206 120.362 120.500 0.114 0.000 2.081 257 R HA -0.101 4.705 4.340 0.777 0.000 0.235 257 R C 2.054 178.456 176.300 0.171 0.000 1.131 257 R CA 1.310 57.513 56.100 0.171 0.000 0.960 257 R CB -1.454 28.975 30.300 0.215 0.000 0.856 257 R HN 0.318 nan 8.270 nan 0.000 0.436 258 F N 0.234 120.188 119.950 0.007 0.000 2.102 258 F HA -0.081 4.910 4.527 0.773 0.000 0.298 258 F C 1.724 177.591 175.800 0.113 0.000 1.105 258 F CA 1.403 59.222 58.000 -0.303 0.000 1.239 258 F CB -0.821 38.050 39.000 -0.216 0.000 0.991 258 F HN 0.063 nan 8.300 nan 0.000 0.474 259 F N 0.875 120.581 119.950 -0.406 0.000 2.091 259 F HA -0.275 4.719 4.527 0.779 0.000 0.299 259 F C 2.513 178.173 175.800 -0.233 0.000 1.103 259 F CA 1.579 59.342 58.000 -0.395 0.000 1.228 259 F CB -0.408 38.495 39.000 -0.162 0.000 0.984 259 F HN -0.069 nan 8.300 nan 0.000 0.477 260 K N -0.108 120.339 120.400 0.078 0.000 2.057 260 K HA -0.180 4.606 4.320 0.777 0.000 0.207 260 K C 1.502 178.101 176.600 -0.002 0.000 1.049 260 K CA 1.679 57.988 56.287 0.037 0.000 0.931 260 K CB -0.237 32.297 32.500 0.057 0.000 0.714 260 K HN 0.172 nan 8.250 nan 0.000 0.440 261 D N 0.314 120.708 120.400 -0.011 0.000 2.123 261 D HA -0.129 4.977 4.640 0.777 0.000 0.200 261 D C 1.608 177.881 176.300 -0.045 0.000 0.976 261 D CA 0.736 54.737 54.000 0.002 0.000 0.831 261 D CB -0.293 40.557 40.800 0.083 0.000 0.974 261 D HN 0.037 nan 8.370 nan 0.000 0.469 262 F N 1.448 121.218 119.950 -0.299 0.000 2.091 262 F HA -0.278 4.715 4.527 0.777 0.000 0.299 262 F C 2.584 178.282 175.800 -0.170 0.000 1.103 262 F CA 1.800 59.631 58.000 -0.282 0.000 1.228 262 F CB -0.389 38.271 39.000 -0.566 0.000 0.984 262 F HN -0.109 nan 8.300 nan 0.000 0.477 263 S N -0.194 115.478 115.700 -0.046 0.000 2.374 263 S HA -0.257 4.679 4.470 0.777 0.000 0.227 263 S C 2.118 176.664 174.600 -0.091 0.000 1.037 263 S CA 1.856 60.024 58.200 -0.053 0.000 1.024 263 S CB -0.400 62.776 63.200 -0.040 0.000 0.861 263 S HN 0.506 nan 8.310 nan 0.000 0.456 264 K N 0.485 120.831 120.400 -0.090 0.000 2.062 264 K HA 0.107 4.893 4.320 0.777 0.000 0.205 264 K C 2.460 178.993 176.600 -0.110 0.000 1.051 264 K CA 1.043 57.281 56.287 -0.082 0.000 0.941 264 K CB -0.352 32.117 32.500 -0.052 0.000 0.719 264 K HN 0.442 nan 8.250 nan 0.000 0.440 265 A N 0.740 123.471 122.820 -0.149 0.000 1.929 265 A HA -0.119 4.667 4.320 0.777 0.000 0.216 265 A C 1.945 179.419 177.584 -0.183 0.000 1.176 265 A CA 0.924 52.867 52.037 -0.157 0.000 0.628 265 A CB -0.604 18.299 19.000 -0.162 0.000 0.816 265 A HN 0.304 nan 8.150 nan 0.000 0.444 266 F N 0.393 120.020 119.950 -0.538 0.000 2.146 266 F HA -0.140 4.851 4.527 0.772 0.000 0.298 266 F C 2.368 178.044 175.800 -0.207 0.000 1.096 266 F CA 1.858 59.564 58.000 -0.491 0.000 1.275 266 F CB 0.023 38.550 39.000 -0.788 0.000 1.008 266 F HN 0.410 nan 8.300 nan 0.000 0.480 267 E N 0.634 120.760 120.200 -0.123 0.000 2.058 267 E HA -0.315 4.501 4.350 0.777 0.000 0.194 267 E C 2.309 178.800 176.600 -0.183 0.000 0.997 267 E CA 1.517 57.827 56.400 -0.150 0.000 0.801 267 E CB -0.251 29.389 29.700 -0.099 0.000 0.746 267 E HN 0.354 nan 8.360 nan 0.000 0.450 268 K N 0.335 120.643 120.400 -0.154 0.000 2.044 268 K HA -0.225 4.561 4.320 0.777 0.000 0.210 268 K C 2.374 178.876 176.600 -0.164 0.000 1.049 268 K CA 1.522 57.723 56.287 -0.144 0.000 0.927 268 K CB -0.284 32.156 32.500 -0.100 0.000 0.713 268 K HN 0.177 nan 8.250 nan 0.000 0.443 269 L N 1.179 122.318 121.223 -0.140 0.000 2.012 269 L HA -0.174 4.632 4.340 0.777 0.000 0.210 269 L C 1.959 178.744 176.870 -0.141 0.000 1.073 269 L CA 1.564 56.358 54.840 -0.075 0.000 0.748 269 L CB -0.466 41.589 42.059 -0.006 0.000 0.891 269 L HN 0.173 nan 8.230 nan 0.000 0.431 270 L N -0.639 120.439 121.223 -0.241 0.000 2.465 270 L HA -0.075 4.731 4.340 0.777 0.000 0.224 270 L C 2.162 178.961 176.870 -0.119 0.000 1.145 270 L CA 1.365 56.096 54.840 -0.182 0.000 0.834 270 L CB -0.640 41.273 42.059 -0.243 0.000 0.944 270 L HN 0.407 nan 8.230 nan 0.000 0.451 271 E N -1.888 118.220 120.200 -0.153 0.000 2.489 271 E HA 0.083 4.899 4.350 0.777 0.000 0.204 271 E C 0.142 176.602 176.600 -0.233 0.000 1.006 271 E CA -0.336 56.005 56.400 -0.097 0.000 0.936 271 E CB 0.334 30.012 29.700 -0.035 0.000 1.002 271 E HN 0.329 nan 8.360 nan 0.000 0.488 272 N N 0.755 119.180 118.700 -0.459 0.000 2.356 272 N HA -0.028 5.178 4.740 0.777 0.000 0.252 272 N C 0.981 175.835 175.510 -1.093 0.000 1.241 272 N CA 1.503 53.929 53.050 -1.040 0.000 0.861 272 N CB 1.024 38.552 38.487 -1.599 0.000 1.075 272 N HN 0.348 nan 8.380 nan 0.000 0.461 273 G N 1.357 109.630 108.800 -0.878 0.000 2.225 273 G HA2 -0.268 4.158 3.960 0.777 0.000 0.254 273 G HA3 -0.268 4.158 3.960 0.777 0.000 0.254 273 G C 0.152 174.978 174.900 -0.124 0.000 0.988 273 G CA -0.043 44.945 45.100 -0.187 0.000 0.625 273 G HN 0.560 nan 8.290 nan 0.000 0.527 274 I N 2.275 122.715 120.570 -0.217 0.000 2.342 274 I HA 0.357 4.993 4.170 0.777 0.000 0.291 274 I C 0.288 176.183 176.117 -0.371 0.000 1.010 274 I CA -0.416 60.680 61.300 -0.339 0.000 1.308 274 I CB 1.499 39.225 38.000 -0.456 0.000 1.400 274 I HN -0.039 nan 8.210 nan 0.000 0.488 275 T N 6.616 120.951 114.554 -0.366 0.000 2.743 275 T HA 0.390 5.206 4.350 0.777 0.000 0.293 275 T C -0.344 174.125 174.700 -0.384 0.000 0.945 275 T CA -0.145 61.809 62.100 -0.244 0.000 1.030 275 T CB 0.028 68.806 68.868 -0.150 0.000 0.912 275 T HN 0.125 nan 8.240 nan 0.000 0.483 276 F N 4.361 124.268 119.950 -0.072 0.000 2.405 276 F HA 0.368 5.360 4.527 0.774 0.000 0.355 276 F C -1.557 174.207 175.800 -0.060 0.000 1.121 276 F CA -2.466 55.488 58.000 -0.076 0.000 1.112 276 F CB 0.251 39.179 39.000 -0.120 0.000 1.126 276 F HN 0.372 nan 8.300 nan 0.000 0.481 277 P HA 0.056 nan 4.420 nan 0.000 0.269 277 P C 0.854 178.183 177.300 0.049 0.000 1.205 277 P CA 0.141 63.269 63.100 0.048 0.000 0.780 277 P CB 0.560 32.283 31.700 0.038 0.000 0.858 278 K N 0.745 121.159 120.400 0.024 0.000 2.152 278 K HA -0.160 4.626 4.320 0.777 0.000 0.206 278 K C 1.384 177.987 176.600 0.004 0.000 1.048 278 K CA 2.352 58.645 56.287 0.009 0.000 0.933 278 K CB -1.665 30.837 32.500 0.003 0.000 0.721 278 K HN 0.731 nan 8.250 nan 0.000 0.447 279 D N -2.160 118.247 120.400 0.013 0.000 2.340 279 D HA 0.551 5.657 4.640 0.777 0.000 0.217 279 D C 0.853 177.162 176.300 0.015 0.000 1.081 279 D CA 0.144 54.151 54.000 0.010 0.000 0.842 279 D CB -0.182 40.628 40.800 0.016 0.000 0.934 279 D HN 0.718 nan 8.370 nan 0.000 0.511 280 A N 1.664 124.497 122.820 0.022 0.000 2.406 280 A HA 0.517 5.303 4.320 0.777 0.000 0.243 280 A C -1.555 176.006 177.584 -0.038 0.000 1.082 280 A CA -1.045 51.007 52.037 0.026 0.000 0.786 280 A CB -0.281 18.779 19.000 0.100 0.000 1.029 280 A HN 0.300 nan 8.150 nan 0.000 0.495 281 P HA 0.214 nan 4.420 nan 0.000 0.272 281 P C -0.089 177.048 177.300 -0.271 0.000 1.240 281 P CA -0.300 62.732 63.100 -0.113 0.000 0.791 281 P CB 0.358 32.029 31.700 -0.048 0.000 0.978 282 S N 1.299 116.846 115.700 -0.256 0.000 2.589 282 S HA 0.233 5.169 4.470 0.777 0.000 0.265 282 S C -2.090 172.181 174.600 -0.549 0.000 1.342 282 S CA -0.634 57.371 58.200 -0.324 0.000 1.005 282 S CB -0.937 62.133 63.200 -0.217 0.000 0.909 282 S HN 0.410 nan 8.310 nan 0.000 0.555 283 P HA 0.122 nan 4.420 nan 0.000 0.266 283 P C -0.912 176.111 177.300 -0.461 0.000 1.195 283 P CA 0.332 63.083 63.100 -0.583 0.000 0.768 283 P CB 0.124 31.584 31.700 -0.401 0.000 0.838 284 F N 2.366 122.190 119.950 -0.211 0.000 2.394 284 F HA 0.397 5.390 4.527 0.776 0.000 0.340 284 F C 0.927 176.463 175.800 -0.439 0.000 1.105 284 F CA -0.711 57.118 58.000 -0.285 0.000 1.124 284 F CB 0.648 39.434 39.000 -0.357 0.000 1.145 284 F HN 0.032 nan 8.300 nan 0.000 0.505 285 I N 4.119 124.608 120.570 -0.136 0.000 2.354 285 I HA 0.232 4.868 4.170 0.777 0.000 0.286 285 I C -0.799 175.256 176.117 -0.105 0.000 1.007 285 I CA -0.568 60.637 61.300 -0.158 0.000 1.167 285 I CB 0.704 38.660 38.000 -0.074 0.000 1.320 285 I HN 0.361 nan 8.210 nan 0.000 0.458 286 F N 5.540 125.550 119.950 0.100 0.000 2.399 286 F HA 0.319 5.311 4.527 0.775 0.000 0.342 286 F C 0.905 176.537 175.800 -0.279 0.000 1.106 286 F CA -0.660 57.224 58.000 -0.194 0.000 1.196 286 F CB 0.429 39.010 39.000 -0.698 0.000 1.163 286 F HN 0.251 nan 8.300 nan 0.000 0.547 287 K N 1.419 121.792 120.400 -0.045 0.000 2.326 287 K HA 0.191 4.977 4.320 0.777 0.000 0.275 287 K C 0.335 176.827 176.600 -0.181 0.000 1.018 287 K CA -0.239 56.013 56.287 -0.059 0.000 0.962 287 K CB 0.496 33.005 32.500 0.015 0.000 0.953 287 K HN 0.795 nan 8.250 nan 0.000 0.475 288 T N -1.137 113.417 114.554 -0.001 0.000 2.788 288 T HA 0.192 5.008 4.350 0.777 0.000 0.287 288 T C 1.885 176.673 174.700 0.145 0.000 1.007 288 T CA -0.679 61.514 62.100 0.156 0.000 1.005 288 T CB 0.462 69.424 68.868 0.157 0.000 1.012 288 T HN 0.432 nan 8.240 nan 0.000 0.530 289 L N 0.001 121.347 121.223 0.204 0.000 2.043 289 L HA -0.124 4.682 4.340 0.777 0.000 0.212 289 L C 3.045 179.967 176.870 0.087 0.000 1.075 289 L CA 2.064 56.980 54.840 0.127 0.000 0.752 289 L CB -0.680 41.446 42.059 0.112 0.000 0.891 289 L HN 0.902 nan 8.230 nan 0.000 0.432 290 E N 0.498 120.750 120.200 0.087 0.000 2.077 290 E HA -0.250 4.566 4.350 0.777 0.000 0.193 290 E C 2.003 178.638 176.600 0.058 0.000 0.989 290 E CA 1.317 57.757 56.400 0.067 0.000 0.800 290 E CB 0.059 29.800 29.700 0.068 0.000 0.746 290 E HN 0.479 nan 8.360 nan 0.000 0.452 291 E N 0.001 120.238 120.200 0.061 0.000 2.153 291 E HA -0.204 4.612 4.350 0.777 0.000 0.194 291 E C 2.013 178.640 176.600 0.045 0.000 0.988 291 E CA 1.109 57.539 56.400 0.050 0.000 0.811 291 E CB 0.057 29.786 29.700 0.047 0.000 0.746 291 E HN 0.372 nan 8.360 nan 0.000 0.466 292 Q N -0.917 118.912 119.800 0.049 0.000 2.451 292 Q HA 0.067 4.873 4.340 0.777 0.000 0.206 292 Q C 0.949 176.973 176.000 0.040 0.000 0.947 292 Q CA 0.437 56.266 55.803 0.043 0.000 0.937 292 Q CB 0.754 29.517 28.738 0.042 0.000 1.025 292 Q HN 0.362 nan 8.270 nan 0.000 0.511 293 G N 0.849 109.674 108.800 0.041 0.000 2.176 293 G HA2 -0.269 4.157 3.960 0.777 0.000 0.252 293 G HA3 -0.269 4.157 3.960 0.777 0.000 0.252 293 G C -0.066 174.856 174.900 0.036 0.000 1.024 293 G CA 0.114 45.236 45.100 0.036 0.000 0.755 293 G HN 0.216 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.249 121.223 0.043 0.000 2.949 294 L HA 0.000 4.806 4.340 0.777 0.000 0.249 294 L CA 0.000 54.865 54.840 0.041 0.000 0.813 294 L CB 0.000 42.087 42.059 0.046 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502