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 1mv8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRISIFGLGY VGAVCAGCLS ARGHEVIGVD VSSTKIDLIN QGKSPIVEPG DATA SEQUENCE LEALLQQGRQ TGRLSGTTDF KKAVLDSDVS FICVGTPSKK NGDLDLGYIE DATA SEQUENCE TVCREIGFAI REKSERHTVV VRSTVLPGTV NNVVIPLIED CSGKKAGVDF DATA SEQUENCE GVGTNPEFLR ESTAIKDYDF PPMTVIGELD KQTGDLLEEI YRELDAPIIR DATA SEQUENCE KTVEVAEMIK YTCNVWHAAK VTFANEIGNI AKAVGVDGRE VMDVICQDHK DATA SEQUENCE LNLSRYYMRP GFAFGGSCLP KDVRALTYRA SQLDVEHPML GSLMRSNSNQ DATA SEQUENCE VQKAFDLITS HDTRKVGLLG LSFKAGTDDL RESPLVELAE MLIGKGYELR DATA SEQUENCE IFDRNVEYAR VHGANKEYIE SKIPHVSSLL VSDLDEVVAS SDVLVLGNGD DATA SEQUENCE ELFVDLVNKT PSGKKLVDLV GFMPHTTTAQ AEGICW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.422 176.300 0.203 0.000 1.140 1 M CA 0.000 55.458 55.300 0.263 0.000 0.988 1 M CB 0.000 32.752 32.600 0.254 0.000 1.302 2 R N 3.520 124.083 120.500 0.105 0.000 2.267 2 R HA 0.675 5.063 4.340 0.080 0.000 0.319 2 R C -1.114 175.225 176.300 0.064 0.000 1.067 2 R CA 0.119 56.268 56.100 0.082 0.000 0.936 2 R CB 0.320 30.659 30.300 0.065 0.000 1.006 2 R HN 0.516 nan 8.270 nan 0.000 0.452 3 I N 1.556 122.171 120.570 0.075 0.000 2.582 3 I HA 0.219 4.437 4.170 0.080 0.000 0.292 3 I C -0.222 175.965 176.117 0.117 0.000 1.066 3 I CA -0.745 60.607 61.300 0.087 0.000 1.053 3 I CB 2.403 40.460 38.000 0.095 0.000 1.241 3 I HN 0.603 nan 8.210 nan 0.000 0.421 4 S N 6.258 122.054 115.700 0.161 0.000 2.509 4 S HA 0.777 5.295 4.470 0.080 0.000 0.297 4 S C -0.697 174.049 174.600 0.244 0.000 1.118 4 S CA -0.725 57.569 58.200 0.156 0.000 1.074 4 S CB 1.859 65.174 63.200 0.192 0.000 1.038 4 S HN 0.455 nan 8.310 nan 0.000 0.498 5 I N 2.461 123.109 120.570 0.130 0.000 2.418 5 I HA 0.363 4.581 4.170 0.080 0.000 0.287 5 I C -1.304 174.857 176.117 0.073 0.000 1.008 5 I CA -0.607 60.813 61.300 0.201 0.000 1.104 5 I CB 1.244 39.313 38.000 0.115 0.000 1.264 5 I HN 0.567 nan 8.210 nan 0.000 0.438 6 F N 4.427 124.440 119.950 0.106 0.000 2.390 6 F HA 0.604 5.179 4.527 0.080 0.000 0.361 6 F C 0.910 176.737 175.800 0.046 0.000 1.124 6 F CA -0.590 57.452 58.000 0.069 0.000 1.149 6 F CB 1.255 40.291 39.000 0.060 0.000 1.160 6 F HN 0.603 nan 8.300 nan 0.000 0.501 7 G N 4.407 113.271 108.800 0.105 0.000 3.445 7 G HA2 -0.130 3.878 3.960 0.080 0.000 0.686 7 G HA3 -0.130 3.878 3.960 0.080 0.000 0.686 7 G C -0.841 174.067 174.900 0.013 0.000 1.113 7 G CA -1.088 44.042 45.100 0.050 0.000 0.974 7 G HN 0.668 nan 8.290 nan 0.000 0.492 8 L N 2.921 124.131 121.223 -0.023 0.000 3.048 8 L HA 0.469 4.857 4.340 0.080 0.000 0.234 8 L C 1.536 178.365 176.870 -0.069 0.000 1.318 8 L CA 0.090 54.902 54.840 -0.046 0.000 1.109 8 L CB 0.046 42.070 42.059 -0.058 0.000 1.480 8 L HN 0.718 nan 8.230 nan 0.000 0.495 9 G N -1.231 107.542 108.800 -0.046 0.000 2.630 9 G HA2 0.078 4.086 3.960 0.080 0.000 0.223 9 G HA3 0.078 4.086 3.960 0.080 0.000 0.223 9 G C 0.350 175.199 174.900 -0.085 0.000 1.434 9 G CA -0.160 44.908 45.100 -0.055 0.000 1.057 9 G HN 0.117 nan 8.290 nan 0.000 0.570 10 Y N -1.015 119.274 120.300 -0.017 0.000 2.193 10 Y HA -0.138 4.460 4.550 0.080 0.000 0.285 10 Y C 2.931 178.828 175.900 -0.005 0.000 1.166 10 Y CA 1.426 59.521 58.100 -0.009 0.000 1.181 10 Y CB -0.355 38.103 38.460 -0.004 0.000 0.976 10 Y HN 0.048 nan 8.280 nan 0.000 0.520 11 V N -1.326 118.664 119.914 0.128 0.000 2.374 11 V HA -0.091 4.077 4.120 0.080 0.000 0.241 11 V C 2.485 178.596 176.094 0.027 0.000 1.034 11 V CA 1.671 64.014 62.300 0.071 0.000 1.037 11 V CB -1.226 30.629 31.823 0.052 0.000 0.682 11 V HN 0.462 nan 8.190 nan 0.000 0.463 12 G N -0.164 108.646 108.800 0.016 0.000 2.422 12 G HA2 -0.203 3.806 3.960 0.080 0.000 0.218 12 G HA3 -0.203 3.806 3.960 0.080 0.000 0.218 12 G C 1.736 176.615 174.900 -0.036 0.000 1.146 12 G CA 1.117 46.216 45.100 -0.002 0.000 0.769 12 G HN 0.579 nan 8.290 nan 0.000 0.547 13 A N 0.074 122.860 122.820 -0.056 0.000 1.930 13 A HA 0.112 4.480 4.320 0.080 0.000 0.217 13 A C 2.599 180.132 177.584 -0.085 0.000 1.175 13 A CA 1.731 53.720 52.037 -0.080 0.000 0.627 13 A CB -0.548 18.384 19.000 -0.112 0.000 0.815 13 A HN 0.243 nan 8.150 nan 0.000 0.443 14 V N -0.789 119.083 119.914 -0.069 0.000 2.295 14 V HA -0.314 3.854 4.120 0.080 0.000 0.246 14 V C 2.668 178.666 176.094 -0.160 0.000 1.049 14 V CA 2.039 64.290 62.300 -0.082 0.000 1.024 14 V CB -1.092 30.722 31.823 -0.016 0.000 0.648 14 V HN 0.712 nan 8.190 nan 0.000 0.447 15 C N 0.242 119.472 119.300 -0.117 0.000 2.413 15 C HA -0.139 4.369 4.460 0.080 0.000 0.276 15 C C 3.107 177.973 174.990 -0.207 0.000 1.248 15 C CA 0.825 59.738 59.018 -0.175 0.000 1.742 15 C CB -1.413 26.268 27.740 -0.098 0.000 2.017 15 C HN 0.642 nan 8.230 nan 0.000 0.481 16 A N 0.852 123.595 122.820 -0.128 0.000 1.883 16 A HA -0.010 4.358 4.320 0.080 0.000 0.217 16 A C 2.416 179.931 177.584 -0.114 0.000 1.186 16 A CA 2.327 54.307 52.037 -0.095 0.000 0.624 16 A CB -1.363 17.597 19.000 -0.067 0.000 0.822 16 A HN 0.560 nan 8.150 nan 0.000 0.444 17 G N -1.074 107.646 108.800 -0.134 0.000 2.421 17 G HA2 -0.257 3.751 3.960 0.080 0.000 0.216 17 G HA3 -0.257 3.751 3.960 0.080 0.000 0.216 17 G C 1.605 176.398 174.900 -0.179 0.000 1.171 17 G CA 1.322 46.344 45.100 -0.130 0.000 0.775 17 G HN 0.537 nan 8.290 nan 0.000 0.543 18 C N 0.139 119.248 119.300 -0.318 0.000 2.440 18 C HA 0.123 4.631 4.460 0.080 0.000 0.278 18 C C 2.913 177.716 174.990 -0.312 0.000 1.295 18 C CA 0.402 59.138 59.018 -0.470 0.000 1.738 18 C CB -1.047 25.992 27.740 -1.167 0.000 1.987 18 C HN 0.412 nan 8.230 nan 0.000 0.492 19 L N 1.521 122.602 121.223 -0.236 0.000 2.072 19 L HA -0.113 4.275 4.340 0.080 0.000 0.205 19 L C 2.800 179.718 176.870 0.080 0.000 1.079 19 L CA 1.913 56.747 54.840 -0.011 0.000 0.752 19 L CB -0.622 41.406 42.059 -0.052 0.000 0.906 19 L HN 0.459 nan 8.230 nan 0.000 0.436 20 S N 0.057 115.759 115.700 0.003 0.000 2.399 20 S HA -0.144 4.375 4.470 0.080 0.000 0.231 20 S C 2.113 176.703 174.600 -0.016 0.000 1.022 20 S CA 0.791 58.998 58.200 0.012 0.000 0.983 20 S CB -0.476 62.717 63.200 -0.012 0.000 0.803 20 S HN 0.334 nan 8.310 nan 0.000 0.480 21 A N 1.871 124.666 122.820 -0.042 0.000 2.070 21 A HA 0.082 4.450 4.320 0.080 0.000 0.220 21 A C 2.230 179.790 177.584 -0.039 0.000 1.159 21 A CA 0.944 52.954 52.037 -0.046 0.000 0.656 21 A CB -0.434 18.528 19.000 -0.063 0.000 0.800 21 A HN 0.580 nan 8.150 nan 0.000 0.453 22 R N -1.618 118.864 120.500 -0.029 0.000 2.334 22 R HA 0.267 4.655 4.340 0.080 0.000 0.220 22 R C 1.188 177.395 176.300 -0.155 0.000 0.917 22 R CA 0.556 56.625 56.100 -0.052 0.000 1.073 22 R CB 0.124 30.434 30.300 0.016 0.000 1.056 22 R HN 0.620 nan 8.270 nan 0.000 0.506 23 G N 0.093 108.818 108.800 -0.124 0.000 2.195 23 G HA2 -0.223 3.786 3.960 0.080 0.000 0.224 23 G HA3 -0.223 3.786 3.960 0.080 0.000 0.224 23 G C -0.021 174.784 174.900 -0.159 0.000 0.990 23 G CA -0.483 44.527 45.100 -0.150 0.000 0.639 23 G HN 0.346 nan 8.290 nan 0.000 0.514 24 H N 1.102 120.166 119.070 -0.011 0.000 2.690 24 H HA 0.347 4.951 4.556 0.080 0.000 0.365 24 H C 0.219 175.547 175.328 -0.001 0.000 1.142 24 H CA 0.416 56.463 56.048 -0.001 0.000 1.417 24 H CB 0.650 30.416 29.762 0.008 0.000 1.446 24 H HN 0.443 nan 8.280 nan 0.000 0.599 25 E N 1.605 121.891 120.200 0.143 0.000 2.081 25 E HA 0.290 4.688 4.350 0.080 0.000 0.281 25 E C -0.786 175.861 176.600 0.078 0.000 0.986 25 E CA -0.463 55.984 56.400 0.078 0.000 0.796 25 E CB 1.193 30.926 29.700 0.055 0.000 1.085 25 E HN 0.160 nan 8.360 nan 0.000 0.398 26 V N 5.423 125.370 119.914 0.055 0.000 2.459 26 V HA 0.382 4.550 4.120 0.080 0.000 0.295 26 V C -0.102 176.002 176.094 0.017 0.000 1.029 26 V CA -0.671 61.655 62.300 0.043 0.000 0.874 26 V CB 1.349 33.189 31.823 0.029 0.000 0.985 26 V HN 0.581 nan 8.190 nan 0.000 0.438 27 I N 4.124 124.702 120.570 0.015 0.000 2.354 27 I HA 0.510 4.728 4.170 0.080 0.000 0.286 27 I C 0.865 176.950 176.117 -0.054 0.000 1.007 27 I CA -0.304 60.984 61.300 -0.020 0.000 1.167 27 I CB 1.548 39.536 38.000 -0.019 0.000 1.320 27 I HN 0.704 nan 8.210 nan 0.000 0.458 28 G N 5.694 114.453 108.800 -0.068 0.000 2.372 28 G HA2 0.536 4.544 3.960 0.080 0.000 0.283 28 G HA3 0.536 4.544 3.960 0.080 0.000 0.283 28 G C -0.549 174.257 174.900 -0.157 0.000 1.177 28 G CA -0.220 44.823 45.100 -0.095 0.000 0.842 28 G HN 0.360 nan 8.290 nan 0.000 0.503 29 V N 2.891 122.654 119.914 -0.252 0.000 2.540 29 V HA 0.586 4.754 4.120 0.080 0.000 0.302 29 V C -0.731 175.255 176.094 -0.181 0.000 1.035 29 V CA -0.754 61.354 62.300 -0.320 0.000 0.873 29 V CB 1.923 33.266 31.823 -0.800 0.000 0.992 29 V HN 0.807 nan 8.190 nan 0.000 0.428 30 D N 1.552 121.903 120.400 -0.083 0.000 2.655 30 D HA 0.276 4.964 4.640 0.080 0.000 0.229 30 D C 0.443 176.753 176.300 0.017 0.000 1.229 30 D CA -0.313 53.675 54.000 -0.021 0.000 0.807 30 D CB 2.954 43.735 40.800 -0.031 0.000 1.514 30 D HN 0.395 nan 8.370 nan 0.000 0.444 31 V N 0.210 120.149 119.914 0.042 0.000 3.217 31 V HA 0.130 4.298 4.120 0.080 0.000 0.264 31 V C 0.951 177.067 176.094 0.037 0.000 1.135 31 V CA 0.514 62.850 62.300 0.060 0.000 1.142 31 V CB -0.028 31.843 31.823 0.080 0.000 0.754 31 V HN 0.332 nan 8.190 nan 0.000 0.484 32 S N 0.673 116.383 115.700 0.016 0.000 2.416 32 S HA 0.308 4.826 4.470 0.080 0.000 0.287 32 S C 1.339 175.938 174.600 -0.001 0.000 1.139 32 S CA 0.342 58.546 58.200 0.007 0.000 1.058 32 S CB 0.940 64.136 63.200 -0.006 0.000 0.967 32 S HN 0.603 nan 8.310 nan 0.000 0.495 33 S N 4.091 119.793 115.700 0.004 0.000 2.428 33 S HA -0.082 4.436 4.470 0.080 0.000 0.230 33 S C 1.782 176.377 174.600 -0.009 0.000 1.014 33 S CA 1.858 60.056 58.200 -0.002 0.000 0.957 33 S CB -0.563 62.638 63.200 0.002 0.000 0.784 33 S HN 0.862 nan 8.310 nan 0.000 0.499 34 T N 2.305 116.854 114.554 -0.007 0.000 2.635 34 T HA -0.139 4.259 4.350 0.080 0.000 0.267 34 T C 1.772 176.458 174.700 -0.023 0.000 1.040 34 T CA 1.775 63.867 62.100 -0.012 0.000 1.156 34 T CB -0.302 68.560 68.868 -0.009 0.000 0.863 34 T HN 0.513 nan 8.240 nan 0.000 0.430 35 K N 0.213 120.597 120.400 -0.028 0.000 2.057 35 K HA 0.021 4.389 4.320 0.080 0.000 0.206 35 K C 2.248 178.824 176.600 -0.041 0.000 1.050 35 K CA 0.824 57.087 56.287 -0.041 0.000 0.935 35 K CB -0.189 32.282 32.500 -0.049 0.000 0.715 35 K HN 0.207 nan 8.250 nan 0.000 0.439 36 I N 2.309 122.858 120.570 -0.034 0.000 2.163 36 I HA -0.258 3.960 4.170 0.080 0.000 0.243 36 I C 1.630 177.728 176.117 -0.031 0.000 1.085 36 I CA 1.644 62.923 61.300 -0.035 0.000 1.347 36 I CB -1.075 36.907 38.000 -0.029 0.000 1.044 36 I HN 0.155 nan 8.210 nan 0.000 0.408 37 D N 0.636 121.020 120.400 -0.026 0.000 2.144 37 D HA -0.137 4.551 4.640 0.080 0.000 0.199 37 D C 2.462 178.746 176.300 -0.026 0.000 0.984 37 D CA 0.930 54.916 54.000 -0.023 0.000 0.834 37 D CB -0.253 40.537 40.800 -0.018 0.000 0.955 37 D HN 0.274 nan 8.370 nan 0.000 0.465 38 L N 0.486 121.691 121.223 -0.030 0.000 2.056 38 L HA -0.122 4.266 4.340 0.080 0.000 0.207 38 L C 2.381 179.229 176.870 -0.037 0.000 1.078 38 L CA 0.576 55.396 54.840 -0.034 0.000 0.749 38 L CB -0.187 41.848 42.059 -0.040 0.000 0.901 38 L HN 0.052 nan 8.230 nan 0.000 0.433 39 I N -0.030 120.515 120.570 -0.042 0.000 2.226 39 I HA -0.266 3.952 4.170 0.080 0.000 0.245 39 I C 1.966 178.062 176.117 -0.036 0.000 1.100 39 I CA 1.370 62.644 61.300 -0.044 0.000 1.374 39 I CB -1.102 36.868 38.000 -0.049 0.000 1.057 39 I HN 0.385 nan 8.210 nan 0.000 0.413 40 N N 1.001 119.682 118.700 -0.032 0.000 2.453 40 N HA -0.152 4.636 4.740 0.080 0.000 0.183 40 N C 1.610 177.106 175.510 -0.024 0.000 1.041 40 N CA 0.794 53.828 53.050 -0.027 0.000 0.900 40 N CB -0.137 38.334 38.487 -0.025 0.000 0.961 40 N HN 0.549 nan 8.380 nan 0.000 0.443 41 Q N -0.634 119.151 119.800 -0.025 0.000 2.403 41 Q HA 0.203 4.591 4.340 0.080 0.000 0.203 41 Q C 0.553 176.540 176.000 -0.023 0.000 0.932 41 Q CA 0.154 55.944 55.803 -0.022 0.000 0.945 41 Q CB 0.453 29.178 28.738 -0.020 0.000 1.045 41 Q HN 0.315 nan 8.270 nan 0.000 0.511 42 G N 1.640 110.424 108.800 -0.027 0.000 2.176 42 G HA2 -0.289 3.719 3.960 0.080 0.000 0.252 42 G HA3 -0.289 3.719 3.960 0.080 0.000 0.252 42 G C -0.217 174.665 174.900 -0.030 0.000 1.024 42 G CA 0.223 45.306 45.100 -0.028 0.000 0.755 42 G HN 0.123 nan 8.290 nan 0.000 0.507 43 K N 0.338 120.718 120.400 -0.033 0.000 2.182 43 K HA 0.654 5.022 4.320 0.080 0.000 0.262 43 K C 0.370 176.942 176.600 -0.047 0.000 0.957 43 K CA -0.171 56.095 56.287 -0.035 0.000 0.842 43 K CB 1.484 33.965 32.500 -0.031 0.000 1.099 43 K HN 0.180 nan 8.250 nan 0.000 0.438 44 S N 3.361 119.031 115.700 -0.050 0.000 2.523 44 S HA 0.276 4.794 4.470 0.080 0.000 0.275 44 S C -1.780 172.771 174.600 -0.081 0.000 1.281 44 S CA -1.419 56.739 58.200 -0.070 0.000 1.050 44 S CB 0.558 63.719 63.200 -0.066 0.000 0.937 44 S HN 0.429 nan 8.310 nan 0.000 0.492 45 P HA 0.207 nan 4.420 nan 0.000 0.241 45 P C 0.000 177.205 177.300 -0.159 0.000 1.191 45 P CA 0.378 63.406 63.100 -0.120 0.000 0.771 45 P CB -0.314 31.304 31.700 -0.137 0.000 0.929 46 I N -6.309 114.148 120.570 -0.189 0.000 3.074 46 I HA 0.470 4.688 4.170 0.080 0.000 0.310 46 I C -0.904 175.164 176.117 -0.082 0.000 1.153 46 I CA -1.759 59.414 61.300 -0.212 0.000 0.993 46 I CB 2.490 40.148 38.000 -0.570 0.000 1.237 46 I HN -0.542 nan 8.210 nan 0.000 0.443 47 V N 2.618 122.534 119.914 0.003 0.000 2.389 47 V HA 0.431 4.599 4.120 0.080 0.000 0.264 47 V C -0.352 175.779 176.094 0.062 0.000 1.049 47 V CA 0.304 62.624 62.300 0.034 0.000 0.932 47 V CB 0.202 32.057 31.823 0.054 0.000 1.011 47 V HN 0.784 nan 8.190 nan 0.000 0.475 48 E N 7.067 127.286 120.200 0.032 0.000 2.367 48 E HA 0.437 4.835 4.350 0.080 0.000 0.292 48 E C -2.979 173.636 176.600 0.026 0.000 0.900 48 E CA -1.635 54.792 56.400 0.045 0.000 0.807 48 E CB 2.109 31.831 29.700 0.036 0.000 1.337 48 E HN 0.335 nan 8.360 nan 0.000 0.394 49 P HA 0.190 nan 4.420 nan 0.000 0.261 49 P C 0.754 178.067 177.300 0.021 0.000 1.183 49 P CA 1.362 64.478 63.100 0.026 0.000 0.761 49 P CB 0.754 32.474 31.700 0.034 0.000 0.785 50 G N 2.130 110.937 108.800 0.012 0.000 2.205 50 G HA2 -0.341 3.667 3.960 0.080 0.000 0.261 50 G HA3 -0.341 3.667 3.960 0.080 0.000 0.261 50 G C 0.694 175.589 174.900 -0.009 0.000 0.980 50 G CA 0.331 45.434 45.100 0.006 0.000 0.632 50 G HN 0.549 nan 8.290 nan 0.000 0.533 51 L N 1.102 122.316 121.223 -0.014 0.000 2.027 51 L HA 0.259 4.647 4.340 0.080 0.000 0.206 51 L C 2.475 179.323 176.870 -0.037 0.000 1.074 51 L CA 3.041 57.861 54.840 -0.033 0.000 0.745 51 L CB -0.673 41.361 42.059 -0.041 0.000 0.898 51 L HN 0.482 nan 8.230 nan 0.000 0.433 52 E N -0.658 119.524 120.200 -0.031 0.000 2.070 52 E HA -0.275 4.123 4.350 0.080 0.000 0.197 52 E C 2.123 178.707 176.600 -0.026 0.000 1.004 52 E CA 1.464 57.846 56.400 -0.030 0.000 0.805 52 E CB -0.218 29.468 29.700 -0.024 0.000 0.744 52 E HN 0.604 nan 8.360 nan 0.000 0.451 53 A N 0.760 123.568 122.820 -0.021 0.000 1.908 53 A HA -0.185 4.183 4.320 0.080 0.000 0.218 53 A C 2.206 179.775 177.584 -0.025 0.000 1.181 53 A CA 1.319 53.345 52.037 -0.018 0.000 0.627 53 A CB -0.682 18.311 19.000 -0.011 0.000 0.818 53 A HN 0.327 nan 8.150 nan 0.000 0.445 54 L N -0.793 120.410 121.223 -0.032 0.000 2.093 54 L HA -0.157 4.231 4.340 0.080 0.000 0.208 54 L C 2.527 179.370 176.870 -0.045 0.000 1.085 54 L CA 1.008 55.822 54.840 -0.043 0.000 0.755 54 L CB -0.548 41.475 42.059 -0.061 0.000 0.904 54 L HN 0.401 nan 8.230 nan 0.000 0.435 55 L N -0.946 120.250 121.223 -0.045 0.000 2.109 55 L HA -0.194 4.194 4.340 0.080 0.000 0.207 55 L C 2.652 179.501 176.870 -0.034 0.000 1.086 55 L CA 1.069 55.883 54.840 -0.044 0.000 0.760 55 L CB -0.511 41.519 42.059 -0.047 0.000 0.910 55 L HN 0.302 nan 8.230 nan 0.000 0.437 56 Q N -0.100 119.683 119.800 -0.029 0.000 2.061 56 Q HA -0.277 4.111 4.340 0.080 0.000 0.204 56 Q C 2.292 178.279 176.000 -0.022 0.000 0.984 56 Q CA 1.742 57.530 55.803 -0.024 0.000 0.846 56 Q CB -0.184 28.542 28.738 -0.020 0.000 0.902 56 Q HN 0.543 nan 8.270 nan 0.000 0.421 57 Q N -0.360 119.426 119.800 -0.023 0.000 2.096 57 Q HA -0.163 4.225 4.340 0.080 0.000 0.204 57 Q C 2.166 178.152 176.000 -0.023 0.000 0.982 57 Q CA 1.337 57.127 55.803 -0.022 0.000 0.850 57 Q CB -0.350 28.374 28.738 -0.023 0.000 0.901 57 Q HN 0.516 nan 8.270 nan 0.000 0.422 58 G N 0.666 109.450 108.800 -0.027 0.000 2.422 58 G HA2 -0.241 3.767 3.960 0.080 0.000 0.218 58 G HA3 -0.241 3.767 3.960 0.080 0.000 0.218 58 G C 1.468 176.356 174.900 -0.020 0.000 1.146 58 G CA 0.349 45.434 45.100 -0.025 0.000 0.769 58 G HN 0.086 nan 8.290 nan 0.000 0.547 59 R N 0.033 120.520 120.500 -0.022 0.000 2.075 59 R HA 0.008 4.397 4.340 0.080 0.000 0.232 59 R C 3.084 179.374 176.300 -0.016 0.000 1.126 59 R CA 1.619 57.708 56.100 -0.019 0.000 0.963 59 R CB -1.203 29.084 30.300 -0.020 0.000 0.858 59 R HN 0.543 nan 8.270 nan 0.000 0.435 60 Q N 0.582 120.373 119.800 -0.016 0.000 2.124 60 Q HA -0.099 4.289 4.340 0.080 0.000 0.202 60 Q C 1.907 177.900 176.000 -0.012 0.000 0.977 60 Q CA 2.056 57.851 55.803 -0.013 0.000 0.850 60 Q CB -1.197 27.534 28.738 -0.013 0.000 0.901 60 Q HN 0.647 nan 8.270 nan 0.000 0.429 61 T N -4.505 110.041 114.554 -0.013 0.000 3.129 61 T HA 0.399 4.797 4.350 0.080 0.000 0.251 61 T C 1.654 176.347 174.700 -0.011 0.000 1.117 61 T CA 0.990 63.083 62.100 -0.012 0.000 1.034 61 T CB 0.001 68.860 68.868 -0.015 0.000 0.968 61 T HN 1.635 nan 8.240 nan 0.000 0.526 62 G N 2.020 110.813 108.800 -0.010 0.000 2.153 62 G HA2 -0.305 3.703 3.960 0.080 0.000 0.252 62 G HA3 -0.305 3.703 3.960 0.080 0.000 0.252 62 G C 0.795 175.691 174.900 -0.005 0.000 0.994 62 G CA 0.293 45.388 45.100 -0.008 0.000 0.698 62 G HN 0.571 nan 8.290 nan 0.000 0.521 63 R N -1.271 119.226 120.500 -0.005 0.000 2.393 63 R HA 0.443 4.831 4.340 0.080 0.000 0.244 63 R C 0.136 176.437 176.300 0.003 0.000 0.920 63 R CA 0.078 56.179 56.100 0.002 0.000 1.076 63 R CB 0.441 30.742 30.300 0.001 0.000 1.119 63 R HN 0.394 nan 8.270 nan 0.000 0.524 64 L N 0.202 121.420 121.223 -0.007 0.000 2.464 64 L HA 0.400 4.788 4.340 0.080 0.000 0.266 64 L C -1.103 175.756 176.870 -0.018 0.000 0.965 64 L CA -0.340 54.492 54.840 -0.013 0.000 0.833 64 L CB 2.202 44.247 42.059 -0.022 0.000 1.296 64 L HN 0.043 nan 8.230 nan 0.000 0.405 65 S N 2.221 117.907 115.700 -0.022 0.000 2.579 65 S HA 0.981 5.499 4.470 0.080 0.000 0.272 65 S C -0.628 173.949 174.600 -0.038 0.000 1.141 65 S CA -0.224 57.959 58.200 -0.027 0.000 0.843 65 S CB 1.534 64.720 63.200 -0.023 0.000 1.122 65 S HN 1.066 nan 8.310 nan 0.000 0.468 66 G N -0.319 108.456 108.800 -0.041 0.000 2.482 66 G HA2 0.725 4.733 3.960 0.080 0.000 0.317 66 G HA3 0.725 4.733 3.960 0.080 0.000 0.317 66 G C -1.004 173.865 174.900 -0.051 0.000 1.241 66 G CA -0.672 44.397 45.100 -0.052 0.000 0.967 66 G HN 0.944 nan 8.290 nan 0.000 0.482 67 T N -1.574 112.942 114.554 -0.064 0.000 2.840 67 T HA 0.505 4.903 4.350 0.080 0.000 0.317 67 T C 1.034 175.702 174.700 -0.052 0.000 1.401 67 T CA 0.409 62.476 62.100 -0.056 0.000 1.028 67 T CB 1.421 70.252 68.868 -0.062 0.000 1.317 67 T HN 0.908 nan 8.240 nan 0.000 0.495 68 T N -1.015 113.524 114.554 -0.025 0.000 3.060 68 T HA 0.224 4.622 4.350 0.080 0.000 0.249 68 T C 0.471 175.190 174.700 0.031 0.000 1.079 68 T CA 0.056 62.168 62.100 0.020 0.000 1.013 68 T CB -0.017 68.872 68.868 0.036 0.000 0.975 68 T HN 0.455 nan 8.240 nan 0.000 0.518 69 D N 1.938 122.309 120.400 -0.049 0.000 2.455 69 D HA 0.125 4.813 4.640 0.080 0.000 0.234 69 D C 0.877 177.098 176.300 -0.131 0.000 1.224 69 D CA -0.962 52.951 54.000 -0.145 0.000 0.999 69 D CB -0.237 40.485 40.800 -0.131 0.000 1.072 69 D HN 0.448 nan 8.370 nan 0.000 0.514 70 F N 2.410 122.363 119.950 0.003 0.000 2.186 70 F HA -0.007 4.568 4.527 0.080 0.000 0.299 70 F C 2.265 178.117 175.800 0.087 0.000 1.090 70 F CA 1.071 59.110 58.000 0.064 0.000 1.307 70 F CB -0.974 38.177 39.000 0.251 0.000 1.019 70 F HN 0.196 nan 8.300 nan 0.000 0.489 71 K N 1.315 121.486 120.400 -0.382 0.000 2.009 71 K HA -0.069 4.299 4.320 0.080 0.000 0.210 71 K C 2.305 178.856 176.600 -0.081 0.000 1.049 71 K CA 2.619 58.799 56.287 -0.179 0.000 0.929 71 K CB -1.708 30.595 32.500 -0.328 0.000 0.714 71 K HN 0.538 nan 8.250 nan 0.000 0.440 72 K N 0.551 120.880 120.400 -0.117 0.000 2.063 72 K HA 0.210 4.579 4.320 0.080 0.000 0.208 72 K C 2.705 179.294 176.600 -0.019 0.000 1.048 72 K CA 1.984 58.233 56.287 -0.063 0.000 0.928 72 K CB -1.364 31.092 32.500 -0.074 0.000 0.713 72 K HN 0.858 nan 8.250 nan 0.000 0.442 73 A N 0.534 123.349 122.820 -0.009 0.000 1.883 73 A HA -0.040 4.328 4.320 0.080 0.000 0.217 73 A C 2.612 180.252 177.584 0.092 0.000 1.186 73 A CA 1.980 54.028 52.037 0.018 0.000 0.624 73 A CB -0.598 18.371 19.000 -0.052 0.000 0.822 73 A HN 0.353 nan 8.150 nan 0.000 0.444 74 V N 0.107 120.088 119.914 0.112 0.000 2.358 74 V HA -0.178 3.990 4.120 0.080 0.000 0.246 74 V C 2.487 178.574 176.094 -0.011 0.000 1.047 74 V CA 1.457 63.771 62.300 0.023 0.000 1.035 74 V CB -0.580 31.175 31.823 -0.113 0.000 0.658 74 V HN 0.491 nan 8.190 nan 0.000 0.452 75 L N 0.010 121.230 121.223 -0.005 0.000 2.141 75 L HA -0.111 4.277 4.340 0.080 0.000 0.209 75 L C 1.548 178.449 176.870 0.050 0.000 1.094 75 L CA 1.808 56.654 54.840 0.010 0.000 0.763 75 L CB -1.154 40.900 42.059 -0.008 0.000 0.908 75 L HN 0.410 nan 8.230 nan 0.000 0.437 76 D N -0.259 120.174 120.400 0.054 0.000 2.358 76 D HA 0.078 4.766 4.640 0.080 0.000 0.224 76 D C 0.651 177.002 176.300 0.085 0.000 1.123 76 D CA 0.163 54.197 54.000 0.056 0.000 0.833 76 D CB 0.402 41.221 40.800 0.031 0.000 0.946 76 D HN 0.277 nan 8.370 nan 0.000 0.505 77 S N -1.299 114.486 115.700 0.143 0.000 2.588 77 S HA 0.388 4.906 4.470 0.080 0.000 0.275 77 S C 0.107 174.807 174.600 0.166 0.000 1.130 77 S CA -0.797 57.494 58.200 0.152 0.000 0.855 77 S CB 2.581 65.887 63.200 0.176 0.000 1.116 77 S HN -0.309 nan 8.310 nan 0.000 0.472 78 D N 0.084 120.502 120.400 0.030 0.000 2.301 78 D HA 0.228 4.917 4.640 0.080 0.000 0.206 78 D C 0.244 176.326 176.300 -0.364 0.000 0.979 78 D CA 0.847 54.795 54.000 -0.087 0.000 0.874 78 D CB 0.681 41.449 40.800 -0.054 0.000 0.968 78 D HN 0.380 nan 8.370 nan 0.000 0.510 79 V N -0.140 119.586 119.914 -0.314 0.000 2.808 79 V HA 0.449 4.617 4.120 0.080 0.000 0.308 79 V C -1.374 174.584 176.094 -0.227 0.000 1.099 79 V CA -0.554 61.480 62.300 -0.442 0.000 0.920 79 V CB 2.269 33.843 31.823 -0.414 0.000 1.014 79 V HN -0.145 nan 8.190 nan 0.000 0.425 80 S N 6.419 122.030 115.700 -0.148 0.000 2.433 80 S HA 0.659 5.177 4.470 0.080 0.000 0.310 80 S C -0.860 173.708 174.600 -0.054 0.000 1.097 80 S CA -0.202 58.075 58.200 0.128 0.000 1.103 80 S CB 0.818 64.222 63.200 0.340 0.000 0.992 80 S HN 0.536 nan 8.310 nan 0.000 0.469 81 F N 2.731 122.784 119.950 0.171 0.000 2.411 81 F HA 0.442 5.017 4.527 0.080 0.000 0.350 81 F C 0.467 176.370 175.800 0.172 0.000 1.114 81 F CA -0.687 57.390 58.000 0.128 0.000 1.135 81 F CB 0.546 39.608 39.000 0.103 0.000 1.120 81 F HN 0.376 nan 8.300 nan 0.000 0.495 82 I N 3.852 124.582 120.570 0.267 0.000 2.304 82 I HA 0.167 4.385 4.170 0.080 0.000 0.291 82 I C -0.351 175.875 176.117 0.182 0.000 1.018 82 I CA -0.040 61.373 61.300 0.188 0.000 1.260 82 I CB 0.813 38.847 38.000 0.057 0.000 1.390 82 I HN 0.656 nan 8.210 nan 0.000 0.475 83 C N 5.902 125.308 119.300 0.177 0.000 2.994 83 C HA 0.281 4.789 4.460 0.080 0.000 0.250 83 C C 0.674 175.710 174.990 0.077 0.000 1.814 83 C CA -0.466 58.620 59.018 0.114 0.000 1.730 83 C CB -0.712 27.089 27.740 0.103 0.000 3.258 83 C HN 0.495 nan 8.230 nan 0.000 0.472 84 V N 1.192 121.153 119.914 0.078 0.000 3.214 84 V HA 0.583 4.751 4.120 0.080 0.000 0.306 84 V C 1.260 177.354 176.094 -0.001 0.000 1.078 84 V CA 0.084 62.398 62.300 0.022 0.000 1.077 84 V CB 0.585 32.439 31.823 0.052 0.000 1.121 84 V HN 0.566 nan 8.190 nan 0.000 0.468 85 G N 0.612 109.347 108.800 -0.108 0.000 2.544 85 G HA2 0.427 4.435 3.960 0.080 0.000 0.242 85 G HA3 0.427 4.435 3.960 0.080 0.000 0.242 85 G C 0.172 175.147 174.900 0.125 0.000 1.247 85 G CA 0.392 45.466 45.100 -0.042 0.000 0.840 85 G HN 0.965 nan 8.290 nan 0.000 0.578 86 T N 0.036 114.660 114.554 0.117 0.000 3.585 86 T HA 0.456 4.854 4.350 0.080 0.000 0.252 86 T C -1.994 172.782 174.700 0.128 0.000 1.382 86 T CA -1.175 61.012 62.100 0.145 0.000 1.584 86 T CB 1.221 70.154 68.868 0.109 0.000 0.892 86 T HN 0.480 nan 8.240 nan 0.000 0.671 87 P HA 0.340 nan 4.420 nan 0.000 0.274 87 P C -0.103 177.257 177.300 0.100 0.000 1.260 87 P CA -0.304 62.866 63.100 0.117 0.000 0.793 87 P CB 0.753 32.541 31.700 0.147 0.000 1.048 88 S N -0.049 115.698 115.700 0.079 0.000 2.576 88 S HA 0.139 4.657 4.470 0.080 0.000 0.276 88 S C 0.508 175.141 174.600 0.054 0.000 1.339 88 S CA -0.400 57.839 58.200 0.065 0.000 1.039 88 S CB 0.209 63.441 63.200 0.054 0.000 0.902 88 S HN 0.277 nan 8.310 nan 0.000 0.516 89 K N 1.547 121.971 120.400 0.041 0.000 2.118 89 K HA 0.311 4.679 4.320 0.080 0.000 0.240 89 K C 1.798 178.412 176.600 0.024 0.000 1.035 89 K CA -0.123 56.180 56.287 0.026 0.000 0.899 89 K CB 0.102 32.611 32.500 0.015 0.000 1.085 89 K HN 0.550 nan 8.250 nan 0.000 0.498 90 K N 1.181 121.591 120.400 0.017 0.000 2.113 90 K HA -0.191 4.177 4.320 0.080 0.000 0.208 90 K C 1.288 177.897 176.600 0.016 0.000 1.047 90 K CA 2.341 58.637 56.287 0.016 0.000 0.928 90 K CB -1.133 31.374 32.500 0.011 0.000 0.716 90 K HN 0.802 nan 8.250 nan 0.000 0.446 91 N N -1.169 117.539 118.700 0.014 0.000 2.461 91 N HA 0.164 4.953 4.740 0.080 0.000 0.188 91 N C 1.319 176.839 175.510 0.016 0.000 1.134 91 N CA 1.156 54.214 53.050 0.012 0.000 0.878 91 N CB 0.343 38.835 38.487 0.008 0.000 0.972 91 N HN 0.753 nan 8.380 nan 0.000 0.456 92 G N -0.645 108.169 108.800 0.023 0.000 2.234 92 G HA2 -0.282 3.726 3.960 0.080 0.000 0.235 92 G HA3 -0.282 3.726 3.960 0.080 0.000 0.235 92 G C -0.212 174.708 174.900 0.034 0.000 0.997 92 G CA 0.167 45.284 45.100 0.029 0.000 0.623 92 G HN 0.601 nan 8.290 nan 0.000 0.514 93 D N 0.140 120.555 120.400 0.025 0.000 2.361 93 D HA 0.406 5.094 4.640 0.080 0.000 0.239 93 D C 0.782 177.107 176.300 0.040 0.000 1.200 93 D CA -0.472 53.542 54.000 0.024 0.000 0.915 93 D CB 0.650 41.457 40.800 0.012 0.000 1.170 93 D HN 0.389 nan 8.370 nan 0.000 0.444 94 L N 2.180 123.431 121.223 0.046 0.000 2.410 94 L HA 0.170 4.558 4.340 0.080 0.000 0.273 94 L C -0.347 176.555 176.870 0.053 0.000 1.144 94 L CA 0.043 54.925 54.840 0.071 0.000 0.863 94 L CB 0.600 42.712 42.059 0.087 0.000 1.140 94 L HN 0.203 nan 8.230 nan 0.000 0.463 95 D N 4.605 125.042 120.400 0.061 0.000 2.365 95 D HA 0.103 4.791 4.640 0.080 0.000 0.237 95 D C 0.497 176.821 176.300 0.040 0.000 1.190 95 D CA -0.264 53.756 54.000 0.034 0.000 0.867 95 D CB 0.972 41.794 40.800 0.037 0.000 1.050 95 D HN 0.479 nan 8.370 nan 0.000 0.491 96 L N 3.893 125.122 121.223 0.010 0.000 2.591 96 L HA 0.230 4.618 4.340 0.080 0.000 0.228 96 L C 2.312 179.164 176.870 -0.029 0.000 1.133 96 L CA 0.406 55.255 54.840 0.014 0.000 0.880 96 L CB -0.682 41.382 42.059 0.008 0.000 1.033 96 L HN 0.596 nan 8.230 nan 0.000 0.450 97 G N -0.614 108.115 108.800 -0.119 0.000 2.513 97 G HA2 -0.353 3.655 3.960 0.080 0.000 0.219 97 G HA3 -0.353 3.655 3.960 0.080 0.000 0.219 97 G C 1.424 176.202 174.900 -0.203 0.000 1.160 97 G CA 1.119 46.082 45.100 -0.228 0.000 0.767 97 G HN 0.349 nan 8.290 nan 0.000 0.571 98 Y N 0.382 120.685 120.300 0.005 0.000 2.220 98 Y HA 0.081 4.679 4.550 0.080 0.000 0.291 98 Y C 2.864 178.758 175.900 -0.010 0.000 1.129 98 Y CA 0.135 58.238 58.100 0.004 0.000 1.161 98 Y CB -0.265 38.209 38.460 0.023 0.000 0.997 98 Y HN 0.064 nan 8.280 nan 0.000 0.522 99 I N 0.466 121.120 120.570 0.139 0.000 2.208 99 I HA -0.268 3.951 4.170 0.080 0.000 0.245 99 I C 2.028 178.146 176.117 0.001 0.000 1.097 99 I CA 1.635 62.971 61.300 0.061 0.000 1.363 99 I CB -1.098 36.935 38.000 0.056 0.000 1.051 99 I HN 0.363 nan 8.210 nan 0.000 0.413 100 E N 0.335 120.529 120.200 -0.011 0.000 2.051 100 E HA -0.186 4.212 4.350 0.080 0.000 0.192 100 E C 2.119 178.682 176.600 -0.062 0.000 0.991 100 E CA 2.016 58.393 56.400 -0.039 0.000 0.799 100 E CB -0.159 29.515 29.700 -0.043 0.000 0.748 100 E HN 0.424 nan 8.360 nan 0.000 0.449 101 T N 0.804 115.327 114.554 -0.052 0.000 2.684 101 T HA -0.155 4.243 4.350 0.080 0.000 0.267 101 T C 2.074 176.696 174.700 -0.131 0.000 1.036 101 T CA 1.241 63.297 62.100 -0.073 0.000 1.148 101 T CB -0.275 68.578 68.868 -0.026 0.000 0.863 101 T HN -0.026 nan 8.240 nan 0.000 0.436 102 V N 0.826 120.676 119.914 -0.107 0.000 2.407 102 V HA -0.204 3.964 4.120 0.080 0.000 0.248 102 V C 2.807 178.721 176.094 -0.300 0.000 1.055 102 V CA 1.357 63.531 62.300 -0.210 0.000 1.049 102 V CB -0.756 30.971 31.823 -0.160 0.000 0.662 102 V HN 0.630 nan 8.190 nan 0.000 0.455 103 C N -0.379 118.799 119.300 -0.204 0.000 2.429 103 C HA -0.120 4.388 4.460 0.080 0.000 0.277 103 C C 2.869 177.738 174.990 -0.202 0.000 1.262 103 C CA 0.770 59.669 59.018 -0.198 0.000 1.733 103 C CB -1.144 26.525 27.740 -0.119 0.000 2.010 103 C HN 0.505 nan 8.230 nan 0.000 0.483 104 R N 0.817 121.215 120.500 -0.172 0.000 2.081 104 R HA -0.139 4.249 4.340 0.080 0.000 0.235 104 R C 2.117 178.299 176.300 -0.197 0.000 1.131 104 R CA 1.448 57.457 56.100 -0.152 0.000 0.960 104 R CB -0.385 29.845 30.300 -0.117 0.000 0.856 104 R HN 0.668 nan 8.270 nan 0.000 0.436 105 E N 0.600 120.604 120.200 -0.326 0.000 2.058 105 E HA -0.198 4.200 4.350 0.080 0.000 0.194 105 E C 2.059 178.510 176.600 -0.249 0.000 0.997 105 E CA 1.270 57.345 56.400 -0.542 0.000 0.801 105 E CB -0.158 28.894 29.700 -1.081 0.000 0.746 105 E HN 0.320 nan 8.360 nan 0.000 0.450 106 I N 0.807 121.197 120.570 -0.299 0.000 2.226 106 I HA -0.190 4.028 4.170 0.080 0.000 0.245 106 I C 2.542 178.528 176.117 -0.219 0.000 1.100 106 I CA 1.129 62.276 61.300 -0.256 0.000 1.374 106 I CB -0.522 37.246 38.000 -0.387 0.000 1.057 106 I HN 0.176 nan 8.210 nan 0.000 0.413 107 G N 0.394 109.057 108.800 -0.229 0.000 2.446 107 G HA2 -0.326 3.682 3.960 0.080 0.000 0.217 107 G HA3 -0.326 3.682 3.960 0.080 0.000 0.217 107 G C 1.891 176.722 174.900 -0.114 0.000 1.168 107 G CA 1.263 46.235 45.100 -0.214 0.000 0.771 107 G HN 0.424 nan 8.290 nan 0.000 0.551 108 F N 1.124 121.045 119.950 -0.049 0.000 2.126 108 F HA 0.235 4.810 4.527 0.080 0.000 0.299 108 F C 3.089 178.913 175.800 0.040 0.000 1.096 108 F CA 1.946 59.961 58.000 0.025 0.000 1.255 108 F CB -1.223 37.840 39.000 0.106 0.000 0.997 108 F HN 0.490 nan 8.300 nan 0.000 0.479 109 A N 0.740 123.601 122.820 0.068 0.000 1.902 109 A HA -0.033 4.335 4.320 0.080 0.000 0.217 109 A C 2.148 179.698 177.584 -0.056 0.000 1.181 109 A CA 1.847 53.908 52.037 0.040 0.000 0.623 109 A CB -1.095 17.964 19.000 0.097 0.000 0.818 109 A HN 1.193 nan 8.150 nan 0.000 0.443 110 I N -3.244 117.258 120.570 -0.113 0.000 3.578 110 I HA 0.127 4.345 4.170 0.080 0.000 0.295 110 I C 1.992 178.080 176.117 -0.048 0.000 1.280 110 I CA 0.852 62.087 61.300 -0.110 0.000 1.347 110 I CB -0.195 37.710 38.000 -0.157 0.000 1.051 110 I HN 0.258 nan 8.210 nan 0.000 0.460 111 R N 2.055 122.531 120.500 -0.039 0.000 2.119 111 R HA -0.220 4.168 4.340 0.080 0.000 0.246 111 R C 1.940 178.242 176.300 0.003 0.000 1.146 111 R CA 2.553 58.645 56.100 -0.012 0.000 0.962 111 R CB -0.198 30.098 30.300 -0.007 0.000 0.863 111 R HN 0.640 nan 8.270 nan 0.000 0.442 112 E N 0.829 121.028 120.200 -0.002 0.000 2.526 112 E HA 0.097 4.495 4.350 0.080 0.000 0.208 112 E C 0.010 176.614 176.600 0.006 0.000 0.997 112 E CA -0.265 56.138 56.400 0.004 0.000 0.961 112 E CB 0.163 nan 29.700 nan 0.000 1.030 112 E HN 0.323 nan 8.360 nan 0.000 0.483 113 K N 1.131 121.533 120.400 0.003 0.000 2.379 113 K HA 0.161 4.529 4.320 0.080 0.000 0.284 113 K C 1.008 177.627 176.600 0.033 0.000 1.044 113 K CA 0.530 56.825 56.287 0.013 0.000 0.974 113 K CB 0.745 33.245 32.500 0.001 0.000 0.962 113 K HN 0.286 nan 8.250 nan 0.000 0.474 114 S N 2.368 118.089 115.700 0.034 0.000 2.503 114 S HA 0.008 4.526 4.470 0.080 0.000 0.217 114 S C 0.511 175.140 174.600 0.048 0.000 0.999 114 S CA -0.125 58.098 58.200 0.038 0.000 0.914 114 S CB 0.154 63.371 63.200 0.028 0.000 0.782 114 S HN 0.688 nan 8.310 nan 0.000 0.520 115 E N 1.986 122.221 120.200 0.058 0.000 2.277 115 E HA 0.237 4.635 4.350 0.080 0.000 0.274 115 E C -0.114 176.542 176.600 0.094 0.000 1.022 115 E CA -0.790 55.650 56.400 0.066 0.000 0.853 115 E CB 0.855 30.596 29.700 0.068 0.000 1.086 115 E HN 0.286 nan 8.360 nan 0.000 0.397 116 R N 2.995 123.545 120.500 0.084 0.000 2.484 116 R HA -0.020 4.368 4.340 0.080 0.000 0.293 116 R C -0.828 175.550 176.300 0.130 0.000 1.023 116 R CA 0.059 56.222 56.100 0.105 0.000 1.037 116 R CB 0.231 30.568 30.300 0.063 0.000 0.951 116 R HN 0.501 nan 8.270 nan 0.000 0.418 117 H N 1.539 120.655 119.070 0.077 0.000 2.525 117 H HA 0.386 4.990 4.556 0.080 0.000 0.340 117 H C -0.955 174.417 175.328 0.072 0.000 1.168 117 H CA -0.033 56.047 56.048 0.054 0.000 1.247 117 H CB 1.869 31.649 29.762 0.030 0.000 1.568 117 H HN 0.596 nan 8.280 nan 0.000 0.536 118 T N 3.147 117.447 114.554 -0.423 0.000 2.848 118 T HA 0.413 4.811 4.350 0.080 0.000 0.285 118 T C -1.107 173.468 174.700 -0.208 0.000 0.995 118 T CA -0.713 61.267 62.100 -0.200 0.000 0.970 118 T CB 1.061 69.795 68.868 -0.223 0.000 0.976 118 T HN 0.331 nan 8.240 nan 0.000 0.441 119 V N 3.575 123.469 119.914 -0.033 0.000 2.448 119 V HA 0.618 4.786 4.120 0.080 0.000 0.295 119 V C -0.447 175.602 176.094 -0.075 0.000 1.025 119 V CA -0.723 61.552 62.300 -0.042 0.000 0.859 119 V CB 1.748 33.581 31.823 0.016 0.000 0.988 119 V HN 0.711 nan 8.190 nan 0.000 0.431 120 V N 5.303 125.134 119.914 -0.140 0.000 2.483 120 V HA 0.393 4.561 4.120 0.080 0.000 0.297 120 V C -0.235 175.889 176.094 0.050 0.000 1.027 120 V CA -0.678 61.572 62.300 -0.084 0.000 0.855 120 V CB 2.117 33.788 31.823 -0.254 0.000 0.995 120 V HN 0.617 nan 8.190 nan 0.000 0.424 121 V N 6.547 126.506 119.914 0.075 0.000 2.368 121 V HA 0.357 4.525 4.120 0.080 0.000 0.266 121 V C 1.203 177.368 176.094 0.119 0.000 1.045 121 V CA -0.383 61.972 62.300 0.092 0.000 0.899 121 V CB 0.859 32.718 31.823 0.060 0.000 1.006 121 V HN 0.820 nan 8.190 nan 0.000 0.470 122 R N 1.610 122.199 120.500 0.148 0.000 2.189 122 R HA 0.146 4.534 4.340 0.080 0.000 0.203 122 R C 0.890 177.199 176.300 0.015 0.000 1.012 122 R CA 0.078 56.232 56.100 0.089 0.000 1.015 122 R CB 0.041 30.406 30.300 0.108 0.000 0.938 122 R HN 0.595 nan 8.270 nan 0.000 0.472 123 S N 1.784 117.508 115.700 0.040 0.000 2.558 123 S HA -0.010 4.508 4.470 0.080 0.000 0.291 123 S C 0.208 174.802 174.600 -0.010 0.000 1.306 123 S CA 0.438 58.649 58.200 0.018 0.000 1.056 123 S CB 0.709 63.938 63.200 0.049 0.000 0.836 123 S HN 0.123 nan 8.310 nan 0.000 0.504 124 T N 3.672 118.194 114.554 -0.054 0.000 2.769 124 T HA 0.397 4.795 4.350 0.080 0.000 0.293 124 T C 0.183 174.896 174.700 0.022 0.000 0.931 124 T CA -0.384 61.650 62.100 -0.109 0.000 1.139 124 T CB -0.306 68.401 68.868 -0.268 0.000 0.881 124 T HN 0.553 nan 8.240 nan 0.000 0.532 125 V N 2.418 122.405 119.914 0.122 0.000 3.007 125 V HA 0.661 4.829 4.120 0.080 0.000 0.311 125 V C -0.270 176.036 176.094 0.353 0.000 1.120 125 V CA -1.447 60.983 62.300 0.216 0.000 0.980 125 V CB 1.442 33.339 31.823 0.123 0.000 1.033 125 V HN 0.703 nan 8.190 nan 0.000 0.429 126 L N 2.640 124.011 121.223 0.247 0.000 2.473 126 L HA 0.381 4.769 4.340 0.080 0.000 0.268 126 L C -2.074 174.837 176.870 0.069 0.000 1.215 126 L CA -1.324 53.558 54.840 0.071 0.000 0.823 126 L CB 0.551 42.551 42.059 -0.098 0.000 1.099 126 L HN 0.483 nan 8.230 nan 0.000 0.483 127 P HA 0.060 nan 4.420 nan 0.000 0.264 127 P C 0.590 177.903 177.300 0.021 0.000 1.193 127 P CA 0.810 63.933 63.100 0.038 0.000 0.763 127 P CB 0.756 32.469 31.700 0.022 0.000 0.810 128 G N 2.060 110.878 108.800 0.031 0.000 2.259 128 G HA2 -0.277 3.731 3.960 0.080 0.000 0.217 128 G HA3 -0.277 3.731 3.960 0.080 0.000 0.217 128 G C 1.254 176.171 174.900 0.028 0.000 1.001 128 G CA 0.432 45.546 45.100 0.023 0.000 0.627 128 G HN 0.438 nan 8.290 nan 0.000 0.501 129 T N 1.134 115.711 114.554 0.038 0.000 2.746 129 T HA -0.064 4.334 4.350 0.080 0.000 0.267 129 T C 2.478 177.201 174.700 0.038 0.000 1.039 129 T CA 1.962 64.087 62.100 0.040 0.000 1.142 129 T CB -0.259 68.643 68.868 0.057 0.000 0.866 129 T HN 0.318 nan 8.240 nan 0.000 0.444 130 V N 2.417 122.357 119.914 0.044 0.000 2.295 130 V HA -0.167 4.001 4.120 0.080 0.000 0.246 130 V C 2.453 178.570 176.094 0.040 0.000 1.049 130 V CA 1.515 63.841 62.300 0.044 0.000 1.024 130 V CB -0.571 31.280 31.823 0.047 0.000 0.648 130 V HN 0.441 nan 8.190 nan 0.000 0.447 131 N N 0.705 119.425 118.700 0.033 0.000 2.142 131 N HA -0.094 4.694 4.740 0.080 0.000 0.186 131 N C 1.547 177.072 175.510 0.025 0.000 1.023 131 N CA 1.318 54.384 53.050 0.026 0.000 0.852 131 N CB -0.393 38.106 38.487 0.020 0.000 0.998 131 N HN 0.504 nan 8.380 nan 0.000 0.424 132 N N -0.263 118.450 118.700 0.022 0.000 2.373 132 N HA 0.065 4.853 4.740 0.080 0.000 0.181 132 N C 1.156 176.676 175.510 0.016 0.000 1.082 132 N CA 0.267 53.327 53.050 0.017 0.000 0.885 132 N CB 1.053 39.547 38.487 0.013 0.000 0.977 132 N HN 0.069 nan 8.380 nan 0.000 0.462 133 V N -0.630 119.296 119.914 0.020 0.000 3.161 133 V HA 0.059 4.227 4.120 0.080 0.000 0.221 133 V C 2.118 178.221 176.094 0.015 0.000 1.296 133 V CA 0.205 62.514 62.300 0.014 0.000 1.306 133 V CB 0.038 31.869 31.823 0.012 0.000 1.171 133 V HN -0.172 nan 8.190 nan 0.000 0.513 134 V N 0.800 120.728 119.914 0.023 0.000 2.261 134 V HA -0.245 3.923 4.120 0.080 0.000 0.246 134 V C 2.230 178.352 176.094 0.047 0.000 1.047 134 V CA 2.558 64.871 62.300 0.022 0.000 1.015 134 V CB -0.437 31.405 31.823 0.031 0.000 0.642 134 V HN 0.415 nan 8.190 nan 0.000 0.446 135 I N -0.021 120.596 120.570 0.079 0.000 2.142 135 I HA -0.149 4.069 4.170 0.080 0.000 0.240 135 I C -0.066 176.121 176.117 0.117 0.000 1.078 135 I CA 1.691 63.072 61.300 0.136 0.000 1.343 135 I CB -1.578 36.483 38.000 0.102 0.000 1.046 135 I HN 0.351 nan 8.210 nan 0.000 0.405 136 P HA -0.186 nan 4.420 nan 0.000 0.215 136 P C 1.961 179.281 177.300 0.034 0.000 1.157 136 P CA 1.602 64.731 63.100 0.048 0.000 0.874 136 P CB -0.007 31.709 31.700 0.027 0.000 0.790 137 L N -1.459 119.772 121.223 0.012 0.000 2.017 137 L HA -0.155 4.233 4.340 0.080 0.000 0.208 137 L C 2.506 179.351 176.870 -0.041 0.000 1.073 137 L CA 1.450 56.279 54.840 -0.018 0.000 0.745 137 L CB -0.821 41.216 42.059 -0.038 0.000 0.894 137 L HN -0.082 nan 8.230 nan 0.000 0.432 138 I N -0.407 120.130 120.570 -0.055 0.000 2.226 138 I HA -0.273 3.945 4.170 0.080 0.000 0.245 138 I C 2.435 178.492 176.117 -0.101 0.000 1.100 138 I CA 1.336 62.536 61.300 -0.168 0.000 1.374 138 I CB -0.348 37.467 38.000 -0.309 0.000 1.057 138 I HN 0.321 nan 8.210 nan 0.000 0.413 139 E N 0.489 120.746 120.200 0.094 0.000 2.077 139 E HA -0.267 4.131 4.350 0.080 0.000 0.193 139 E C 1.801 178.445 176.600 0.073 0.000 0.989 139 E CA 1.376 57.880 56.400 0.174 0.000 0.800 139 E CB -0.158 29.657 29.700 0.193 0.000 0.746 139 E HN 0.477 nan 8.360 nan 0.000 0.452 140 D N 0.235 120.656 120.400 0.035 0.000 2.183 140 D HA -0.108 4.580 4.640 0.080 0.000 0.203 140 D C 1.632 177.931 176.300 -0.001 0.000 0.969 140 D CA 0.726 54.736 54.000 0.016 0.000 0.842 140 D CB 0.046 40.850 40.800 0.008 0.000 0.957 140 D HN 0.179 nan 8.370 nan 0.000 0.484 141 C N 0.277 119.563 119.300 -0.024 0.000 2.533 141 C HA 0.103 4.611 4.460 0.080 0.000 0.272 141 C C 2.849 177.817 174.990 -0.037 0.000 1.371 141 C CA 0.812 59.809 59.018 -0.036 0.000 1.758 141 C CB -0.547 27.157 27.740 -0.061 0.000 1.972 141 C HN 0.487 nan 8.230 nan 0.000 0.522 142 S N -0.251 115.421 115.700 -0.046 0.000 2.483 142 S HA 0.310 4.828 4.470 0.080 0.000 0.221 142 S C 1.675 176.285 174.600 0.016 0.000 1.030 142 S CA 1.126 59.302 58.200 -0.039 0.000 0.925 142 S CB -0.290 62.849 63.200 -0.102 0.000 0.795 142 S HN 0.954 nan 8.310 nan 0.000 0.511 143 G N 0.794 109.616 108.800 0.037 0.000 2.162 143 G HA2 -0.268 3.740 3.960 0.080 0.000 0.260 143 G HA3 -0.268 3.740 3.960 0.080 0.000 0.260 143 G C 0.009 174.957 174.900 0.079 0.000 0.976 143 G CA 0.686 45.815 45.100 0.049 0.000 0.655 143 G HN 0.636 nan 8.290 nan 0.000 0.533 144 K N -0.116 120.365 120.400 0.134 0.000 2.280 144 K HA 0.808 5.176 4.320 0.080 0.000 0.234 144 K C 0.276 177.042 176.600 0.275 0.000 1.028 144 K CA 0.211 56.622 56.287 0.207 0.000 0.882 144 K CB 1.085 33.763 32.500 0.297 0.000 1.194 144 K HN 0.463 nan 8.250 nan 0.000 0.458 145 K N 0.464 120.952 120.400 0.145 0.000 2.270 145 K HA 0.722 5.090 4.320 0.080 0.000 0.255 145 K C -0.497 175.801 176.600 -0.503 0.000 0.936 145 K CA -0.518 55.743 56.287 -0.042 0.000 0.809 145 K CB 1.390 33.856 32.500 -0.057 0.000 1.131 145 K HN 0.747 nan 8.250 nan 0.000 0.427 146 A N 0.722 123.106 122.820 -0.728 0.000 2.498 146 A HA 0.599 4.967 4.320 0.080 0.000 0.239 146 A C 1.650 178.877 177.584 -0.595 0.000 1.068 146 A CA 1.328 52.654 52.037 -1.185 0.000 0.766 146 A CB -0.605 18.068 19.000 -0.546 0.000 1.003 146 A HN 2.517 nan 8.150 nan 0.000 0.497 147 G N 0.512 108.998 108.800 -0.523 0.000 5.005 147 G HA2 -0.278 3.730 3.960 0.080 0.000 0.251 147 G HA3 -0.278 3.730 3.960 0.080 0.000 0.251 147 G C 1.303 176.083 174.900 -0.199 0.000 1.536 147 G CA 0.869 45.813 45.100 -0.259 0.000 1.060 147 G HN 1.641 nan 8.290 nan 0.000 0.683 148 V N 1.561 121.370 119.914 -0.175 0.000 2.379 148 V HA 0.037 4.205 4.120 0.080 0.000 0.245 148 V C 2.351 178.400 176.094 -0.075 0.000 1.044 148 V CA 3.226 65.466 62.300 -0.100 0.000 1.036 148 V CB -0.290 31.491 31.823 -0.071 0.000 0.664 148 V HN 0.580 nan 8.190 nan 0.000 0.453 149 D N -0.802 119.536 120.400 -0.104 0.000 2.259 149 D HA 0.127 4.815 4.640 0.080 0.000 0.216 149 D C 0.345 176.718 176.300 0.122 0.000 0.961 149 D CA 0.764 54.779 54.000 0.025 0.000 0.878 149 D CB 0.236 41.104 40.800 0.113 0.000 1.009 149 D HN 0.572 nan 8.370 nan 0.000 0.490 150 F N -0.697 119.263 119.950 0.016 0.000 2.588 150 F HA 0.725 5.300 4.527 0.080 0.000 0.310 150 F C 0.126 175.927 175.800 0.001 0.000 1.082 150 F CA -1.640 56.373 58.000 0.022 0.000 0.929 150 F CB 1.219 40.245 39.000 0.043 0.000 1.254 150 F HN -0.180 nan 8.300 nan 0.000 0.455 151 G N 1.308 110.196 108.800 0.146 0.000 2.444 151 G HA2 0.555 4.563 3.960 0.080 0.000 0.268 151 G HA3 0.555 4.563 3.960 0.080 0.000 0.268 151 G C -1.543 173.429 174.900 0.119 0.000 1.203 151 G CA -0.731 44.395 45.100 0.043 0.000 0.835 151 G HN 0.737 nan 8.290 nan 0.000 0.543 152 V N 0.748 120.690 119.914 0.046 0.000 2.808 152 V HA 0.922 5.090 4.120 0.080 0.000 0.308 152 V C 0.456 176.567 176.094 0.028 0.000 1.099 152 V CA 0.056 62.401 62.300 0.073 0.000 0.920 152 V CB 1.652 33.540 31.823 0.109 0.000 1.014 152 V HN 1.308 nan 8.190 nan 0.000 0.425 153 G N 1.741 110.558 108.800 0.028 0.000 2.608 153 G HA2 0.763 4.771 3.960 0.080 0.000 0.291 153 G HA3 0.763 4.771 3.960 0.080 0.000 0.291 153 G C -0.834 174.093 174.900 0.045 0.000 1.425 153 G CA 0.106 45.225 45.100 0.032 0.000 0.787 153 G HN 0.904 nan 8.290 nan 0.000 0.484 154 T N -1.828 112.761 114.554 0.059 0.000 2.924 154 T HA 0.716 5.114 4.350 0.080 0.000 0.291 154 T C -0.513 174.240 174.700 0.088 0.000 1.045 154 T CA -0.871 61.271 62.100 0.070 0.000 1.015 154 T CB 2.215 71.118 68.868 0.058 0.000 1.103 154 T HN 0.790 nan 8.240 nan 0.000 0.496 155 N N 1.887 120.641 118.700 0.091 0.000 2.839 155 N HA 0.254 5.042 4.740 0.080 0.000 0.230 155 N C -3.170 172.323 175.510 -0.028 0.000 1.388 155 N CA -1.110 51.992 53.050 0.087 0.000 0.747 155 N CB 1.493 40.132 38.487 0.253 0.000 1.411 155 N HN 0.328 nan 8.380 nan 0.000 0.556 156 P HA 0.040 nan 4.420 nan 0.000 0.269 156 P C -0.808 176.140 177.300 -0.587 0.000 1.217 156 P CA 0.362 63.256 63.100 -0.344 0.000 0.783 156 P CB 0.563 32.014 31.700 -0.414 0.000 0.898 157 E N 0.271 120.107 120.200 -0.608 0.000 2.207 157 E HA 0.508 4.906 4.350 0.080 0.000 0.270 157 E C -1.118 175.054 176.600 -0.713 0.000 0.927 157 E CA -0.466 55.606 56.400 -0.546 0.000 0.799 157 E CB 0.593 30.165 29.700 -0.213 0.000 1.172 157 E HN 0.210 nan 8.360 nan 0.000 0.404 158 F N 0.836 120.773 119.950 -0.023 0.000 2.764 158 F HA 0.327 4.902 4.527 0.080 0.000 0.310 158 F C -0.281 175.544 175.800 0.042 0.000 1.124 158 F CA -0.620 57.390 58.000 0.016 0.000 1.252 158 F CB 0.148 39.158 39.000 0.016 0.000 1.010 158 F HN 0.239 nan 8.300 nan 0.000 0.518 159 L N 1.407 122.706 121.223 0.127 0.000 2.456 159 L HA 0.302 4.690 4.340 0.080 0.000 0.272 159 L C 0.433 177.373 176.870 0.117 0.000 1.189 159 L CA -0.017 54.900 54.840 0.127 0.000 0.846 159 L CB 0.417 42.545 42.059 0.114 0.000 1.111 159 L HN 0.095 nan 8.230 nan 0.000 0.475 160 R N 1.814 122.380 120.500 0.110 0.000 2.393 160 R HA 0.311 4.699 4.340 0.080 0.000 0.310 160 R C -0.636 175.713 176.300 0.081 0.000 0.968 160 R CA -0.773 55.378 56.100 0.085 0.000 0.867 160 R CB 1.415 31.756 30.300 0.068 0.000 1.124 160 R HN 0.550 nan 8.270 nan 0.000 0.450 161 E N 1.118 121.357 120.200 0.066 0.000 2.414 161 E HA -0.084 4.315 4.350 0.080 0.000 0.263 161 E C 0.328 176.970 176.600 0.070 0.000 1.000 161 E CA 0.945 57.395 56.400 0.082 0.000 0.914 161 E CB 0.648 30.364 29.700 0.026 0.000 0.948 161 E HN 0.875 nan 8.360 nan 0.000 0.444 162 S N 0.616 116.369 115.700 0.089 0.000 1.895 162 S HA -0.223 4.295 4.470 0.080 0.000 0.245 162 S C 0.762 175.401 174.600 0.065 0.000 1.057 162 S CA 1.233 59.475 58.200 0.069 0.000 1.369 162 S CB -1.727 61.502 63.200 0.049 0.000 1.690 162 S HN 0.771 nan 8.310 nan 0.000 0.555 163 T N -1.656 112.942 114.554 0.073 0.000 3.442 163 T HA 0.832 5.230 4.350 0.080 0.000 0.295 163 T C 1.405 176.166 174.700 0.101 0.000 1.007 163 T CA 0.778 62.926 62.100 0.080 0.000 0.962 163 T CB 0.530 69.441 68.868 0.071 0.000 1.187 163 T HN 1.243 nan 8.240 nan 0.000 0.490 164 A N 1.768 124.649 122.820 0.102 0.000 1.902 164 A HA 0.138 4.507 4.320 0.080 0.000 0.217 164 A C 2.048 179.716 177.584 0.139 0.000 1.181 164 A CA 1.227 53.336 52.037 0.119 0.000 0.623 164 A CB -0.668 18.397 19.000 0.108 0.000 0.818 164 A HN 0.621 nan 8.150 nan 0.000 0.443 165 I N -0.133 120.501 120.570 0.105 0.000 2.202 165 I HA -0.228 3.990 4.170 0.080 0.000 0.242 165 I C 3.112 179.323 176.117 0.157 0.000 1.091 165 I CA 1.660 63.019 61.300 0.099 0.000 1.368 165 I CB -0.398 37.630 38.000 0.046 0.000 1.058 165 I HN 0.420 nan 8.210 nan 0.000 0.410 166 K N 0.265 120.765 120.400 0.168 0.000 2.103 166 K HA -0.231 4.137 4.320 0.080 0.000 0.207 166 K C 1.672 178.436 176.600 0.273 0.000 1.048 166 K CA 2.137 58.574 56.287 0.251 0.000 0.930 166 K CB -1.052 31.572 32.500 0.206 0.000 0.716 166 K HN 0.320 nan 8.250 nan 0.000 0.444 167 D N -1.254 119.268 120.400 0.204 0.000 2.144 167 D HA -0.088 4.600 4.640 0.080 0.000 0.199 167 D C 1.755 178.156 176.300 0.168 0.000 0.984 167 D CA 1.104 55.213 54.000 0.182 0.000 0.834 167 D CB -0.315 40.576 40.800 0.153 0.000 0.955 167 D HN 0.593 nan 8.370 nan 0.000 0.465 168 Y N 1.765 122.101 120.300 0.061 0.000 2.163 168 Y HA -0.169 4.430 4.550 0.080 0.000 0.288 168 Y C 1.691 177.574 175.900 -0.028 0.000 1.136 168 Y CA 1.508 59.623 58.100 0.026 0.000 1.147 168 Y CB -0.034 38.434 38.460 0.014 0.000 0.987 168 Y HN -0.165 nan 8.280 nan 0.000 0.509 169 D N -0.574 119.913 120.400 0.145 0.000 2.144 169 D HA -0.129 4.559 4.640 0.080 0.000 0.199 169 D C -0.099 175.847 176.300 -0.589 0.000 0.984 169 D CA 1.500 55.349 54.000 -0.252 0.000 0.834 169 D CB -0.153 40.375 40.800 -0.454 0.000 0.955 169 D HN 0.276 nan 8.370 nan 0.000 0.465 170 F N 0.723 120.718 119.950 0.075 0.000 2.584 170 F HA 0.289 4.864 4.527 0.080 0.000 0.328 170 F C -2.146 173.666 175.800 0.020 0.000 1.407 170 F CA -1.915 56.109 58.000 0.040 0.000 1.145 170 F CB 1.134 40.158 39.000 0.041 0.000 1.440 170 F HN -0.226 nan 8.300 nan 0.000 0.580 171 P HA 0.262 nan 4.420 nan 0.000 0.276 171 P C -2.116 175.206 177.300 0.036 0.000 1.252 171 P CA -1.266 61.866 63.100 0.054 0.000 0.802 171 P CB 1.385 33.068 31.700 -0.028 0.000 1.035 172 P HA 0.031 nan 4.420 nan 0.000 0.222 172 P C 0.517 177.771 177.300 -0.077 0.000 1.153 172 P CA 1.500 64.570 63.100 -0.050 0.000 0.798 172 P CB 0.040 31.672 31.700 -0.114 0.000 0.796 173 M N -5.203 114.338 119.600 -0.099 0.000 2.822 173 M HA 0.408 4.936 4.480 0.080 0.000 0.275 173 M C -1.856 174.415 176.300 -0.047 0.000 1.084 173 M CA -0.666 54.583 55.300 -0.086 0.000 0.814 173 M CB 1.505 34.028 32.600 -0.130 0.000 1.693 173 M HN -0.501 nan 8.290 nan 0.000 0.531 174 T N 1.783 116.299 114.554 -0.062 0.000 2.779 174 T HA 0.673 5.071 4.350 0.080 0.000 0.280 174 T C -0.861 173.835 174.700 -0.007 0.000 0.987 174 T CA -0.536 61.488 62.100 -0.126 0.000 0.966 174 T CB 1.633 70.330 68.868 -0.286 0.000 0.933 174 T HN 0.474 nan 8.240 nan 0.000 0.442 175 V N 5.204 125.164 119.914 0.076 0.000 2.448 175 V HA 0.546 4.714 4.120 0.080 0.000 0.295 175 V C -0.321 175.811 176.094 0.064 0.000 1.025 175 V CA -0.770 61.595 62.300 0.109 0.000 0.859 175 V CB 1.514 33.483 31.823 0.244 0.000 0.988 175 V HN 0.795 nan 8.190 nan 0.000 0.431 176 I N 3.599 124.211 120.570 0.069 0.000 2.436 176 I HA 0.569 4.787 4.170 0.080 0.000 0.289 176 I C 0.686 176.843 176.117 0.067 0.000 1.010 176 I CA -0.367 60.979 61.300 0.078 0.000 1.098 176 I CB 1.985 40.039 38.000 0.091 0.000 1.266 176 I HN 0.716 nan 8.210 nan 0.000 0.434 177 G N 4.768 113.607 108.800 0.065 0.000 2.320 177 G HA2 0.405 4.413 3.960 0.080 0.000 0.300 177 G HA3 0.405 4.413 3.960 0.080 0.000 0.300 177 G C -0.793 174.136 174.900 0.047 0.000 1.126 177 G CA -0.237 44.897 45.100 0.055 0.000 0.896 177 G HN 0.658 nan 8.290 nan 0.000 0.436 178 E N 2.503 122.726 120.200 0.038 0.000 2.187 178 E HA 0.447 4.845 4.350 0.080 0.000 0.268 178 E C -0.312 176.298 176.600 0.016 0.000 0.896 178 E CA -0.805 55.612 56.400 0.027 0.000 0.766 178 E CB 1.358 31.074 29.700 0.027 0.000 1.142 178 E HN 0.257 nan 8.360 nan 0.000 0.408 179 L N 2.609 123.836 121.223 0.006 0.000 3.211 179 L HA 0.161 4.550 4.340 0.080 0.000 0.175 179 L C 0.199 177.059 176.870 -0.017 0.000 1.378 179 L CA 0.768 55.603 54.840 -0.008 0.000 0.987 179 L CB -0.647 41.402 42.059 -0.017 0.000 1.457 179 L HN 0.709 nan 8.230 nan 0.000 0.628 180 D N 0.127 120.510 120.400 -0.028 0.000 2.345 180 D HA 0.127 4.815 4.640 0.080 0.000 0.247 180 D C 0.765 177.055 176.300 -0.016 0.000 1.108 180 D CA 0.495 54.476 54.000 -0.032 0.000 0.894 180 D CB 1.586 42.356 40.800 -0.051 0.000 1.203 180 D HN 0.177 nan 8.370 nan 0.000 0.430 181 K N 2.727 123.119 120.400 -0.012 0.000 2.152 181 K HA -0.240 4.128 4.320 0.080 0.000 0.206 181 K C 2.138 178.736 176.600 -0.002 0.000 1.048 181 K CA 1.873 58.158 56.287 -0.003 0.000 0.933 181 K CB -1.047 31.452 32.500 -0.002 0.000 0.721 181 K HN 0.617 nan 8.250 nan 0.000 0.447 182 Q N -0.071 119.723 119.800 -0.010 0.000 2.061 182 Q HA -0.102 4.286 4.340 0.080 0.000 0.204 182 Q C 2.517 178.510 176.000 -0.012 0.000 0.984 182 Q CA 2.485 58.281 55.803 -0.010 0.000 0.846 182 Q CB -0.601 28.128 28.738 -0.016 0.000 0.902 182 Q HN 0.639 nan 8.270 nan 0.000 0.421 183 T N -0.161 114.383 114.554 -0.016 0.000 2.777 183 T HA -0.109 4.289 4.350 0.080 0.000 0.266 183 T C 1.819 176.521 174.700 0.003 0.000 1.040 183 T CA 1.208 63.296 62.100 -0.021 0.000 1.141 183 T CB -0.718 68.137 68.868 -0.022 0.000 0.868 183 T HN 0.582 nan 8.240 nan 0.000 0.444 184 G N 1.628 110.438 108.800 0.016 0.000 2.440 184 G HA2 -0.237 3.771 3.960 0.080 0.000 0.218 184 G HA3 -0.237 3.771 3.960 0.080 0.000 0.218 184 G C 1.299 176.226 174.900 0.044 0.000 1.154 184 G CA 0.979 46.102 45.100 0.038 0.000 0.767 184 G HN 0.373 nan 8.290 nan 0.000 0.552 185 D N 0.052 120.469 120.400 0.027 0.000 2.117 185 D HA -0.085 4.603 4.640 0.080 0.000 0.197 185 D C 2.395 178.712 176.300 0.028 0.000 0.987 185 D CA 0.417 54.434 54.000 0.028 0.000 0.829 185 D CB -0.332 40.478 40.800 0.017 0.000 0.961 185 D HN 0.306 nan 8.370 nan 0.000 0.460 186 L N 0.173 121.403 121.223 0.012 0.000 2.017 186 L HA -0.156 4.232 4.340 0.080 0.000 0.208 186 L C 2.232 179.109 176.870 0.011 0.000 1.073 186 L CA 1.104 55.943 54.840 -0.003 0.000 0.745 186 L CB -0.122 41.913 42.059 -0.040 0.000 0.894 186 L HN 0.020 nan 8.230 nan 0.000 0.432 187 L N -0.429 120.821 121.223 0.046 0.000 2.093 187 L HA -0.228 4.160 4.340 0.080 0.000 0.208 187 L C 2.555 179.521 176.870 0.161 0.000 1.085 187 L CA 1.532 56.445 54.840 0.120 0.000 0.755 187 L CB -0.553 41.632 42.059 0.211 0.000 0.904 187 L HN 0.388 nan 8.230 nan 0.000 0.435 188 E N 0.056 120.338 120.200 0.135 0.000 2.085 188 E HA -0.279 4.119 4.350 0.080 0.000 0.194 188 E C 2.094 178.756 176.600 0.104 0.000 0.994 188 E CA 1.179 57.660 56.400 0.136 0.000 0.801 188 E CB 0.148 29.902 29.700 0.089 0.000 0.743 188 E HN 0.249 nan 8.360 nan 0.000 0.453 189 E N 0.631 120.868 120.200 0.062 0.000 2.077 189 E HA -0.142 4.256 4.350 0.080 0.000 0.193 189 E C 2.005 178.627 176.600 0.037 0.000 0.989 189 E CA 0.840 57.269 56.400 0.049 0.000 0.800 189 E CB -0.213 29.511 29.700 0.040 0.000 0.746 189 E HN 0.411 nan 8.360 nan 0.000 0.452 190 I N -0.456 120.093 120.570 -0.036 0.000 2.286 190 I HA -0.272 3.946 4.170 0.080 0.000 0.248 190 I C 1.419 177.414 176.117 -0.204 0.000 1.115 190 I CA 1.078 62.280 61.300 -0.164 0.000 1.392 190 I CB -0.112 37.628 38.000 -0.434 0.000 1.065 190 I HN 0.121 nan 8.210 nan 0.000 0.418 191 Y N -0.564 119.785 120.300 0.082 0.000 2.458 191 Y HA 0.148 4.746 4.550 0.080 0.000 0.254 191 Y C 2.201 178.120 175.900 0.032 0.000 1.120 191 Y CA -0.235 57.888 58.100 0.039 0.000 1.282 191 Y CB -0.451 38.014 38.460 0.008 0.000 1.109 191 Y HN -0.015 nan 8.280 nan 0.000 0.526 192 R N 1.097 121.694 120.500 0.161 0.000 2.257 192 R HA -0.299 4.089 4.340 0.080 0.000 0.265 192 R C 1.327 177.677 176.300 0.082 0.000 1.191 192 R CA 2.240 58.403 56.100 0.104 0.000 1.010 192 R CB -0.086 30.260 30.300 0.076 0.000 0.883 192 R HN 0.442 nan 8.270 nan 0.000 0.473 193 E N -0.473 119.776 120.200 0.082 0.000 2.400 193 E HA 0.107 4.505 4.350 0.080 0.000 0.195 193 E C -0.096 176.535 176.600 0.052 0.000 1.012 193 E CA -0.241 56.194 56.400 0.058 0.000 0.875 193 E CB 0.245 29.974 29.700 0.048 0.000 0.859 193 E HN 0.267 nan 8.360 nan 0.000 0.498 194 L N 1.675 122.935 121.223 0.063 0.000 2.485 194 L HA 0.018 4.406 4.340 0.080 0.000 0.275 194 L C 0.366 177.263 176.870 0.045 0.000 1.207 194 L CA -0.099 54.761 54.840 0.034 0.000 0.855 194 L CB 0.216 42.290 42.059 0.025 0.000 1.114 194 L HN -0.037 nan 8.230 nan 0.000 0.485 195 D N 2.836 123.272 120.400 0.059 0.000 2.563 195 D HA 0.529 5.217 4.640 0.080 0.000 0.222 195 D C -0.499 175.842 176.300 0.068 0.000 1.145 195 D CA 0.154 54.200 54.000 0.078 0.000 1.001 195 D CB 0.209 41.081 40.800 0.120 0.000 1.049 195 D HN 0.621 nan 8.370 nan 0.000 0.515 196 A N 2.635 125.479 122.820 0.040 0.000 2.597 196 A HA 0.578 4.946 4.320 0.080 0.000 0.292 196 A C -2.797 174.793 177.584 0.009 0.000 1.057 196 A CA -1.173 50.876 52.037 0.020 0.000 0.674 196 A CB 0.981 19.985 19.000 0.007 0.000 1.278 196 A HN 0.247 nan 8.150 nan 0.000 0.416 197 P HA 0.447 nan 4.420 nan 0.000 0.271 197 P C -0.830 176.469 177.300 -0.001 0.000 1.216 197 P CA 0.198 63.298 63.100 -0.000 0.000 0.776 197 P CB 0.490 32.184 31.700 -0.010 0.000 0.881 198 I N 3.583 124.162 120.570 0.015 0.000 2.312 198 I HA 0.299 4.517 4.170 0.080 0.000 0.290 198 I C 0.411 176.543 176.117 0.024 0.000 1.008 198 I CA -0.527 60.788 61.300 0.024 0.000 1.226 198 I CB 0.582 38.614 38.000 0.054 0.000 1.371 198 I HN 0.128 nan 8.210 nan 0.000 0.468 199 I N 7.153 127.736 120.570 0.022 0.000 2.354 199 I HA 0.368 4.587 4.170 0.080 0.000 0.286 199 I C -0.036 176.104 176.117 0.038 0.000 1.007 199 I CA -0.536 60.779 61.300 0.024 0.000 1.167 199 I CB 0.852 38.861 38.000 0.015 0.000 1.320 199 I HN 0.459 nan 8.210 nan 0.000 0.458 200 R N 6.222 126.743 120.500 0.036 0.000 2.255 200 R HA 0.563 4.951 4.340 0.080 0.000 0.326 200 R C -0.562 175.760 176.300 0.036 0.000 0.986 200 R CA -0.761 55.364 56.100 0.041 0.000 0.847 200 R CB 1.410 31.733 30.300 0.040 0.000 1.111 200 R HN 0.384 nan 8.270 nan 0.000 0.452 201 K N 0.698 121.123 120.400 0.041 0.000 2.399 201 K HA 0.327 4.695 4.320 0.080 0.000 0.260 201 K C -0.118 176.505 176.600 0.039 0.000 1.049 201 K CA -0.738 55.572 56.287 0.039 0.000 0.890 201 K CB 1.355 33.882 32.500 0.044 0.000 1.430 201 K HN 0.642 nan 8.250 nan 0.000 0.459 202 T N -2.228 112.348 114.554 0.037 0.000 2.802 202 T HA 0.115 4.513 4.350 0.080 0.000 0.305 202 T C 1.574 176.300 174.700 0.043 0.000 1.053 202 T CA -0.555 61.566 62.100 0.035 0.000 1.058 202 T CB 0.461 69.348 68.868 0.032 0.000 0.988 202 T HN 0.136 nan 8.240 nan 0.000 0.539 203 V N 1.860 121.798 119.914 0.041 0.000 2.287 203 V HA -0.160 4.008 4.120 0.080 0.000 0.248 203 V C 2.769 178.897 176.094 0.057 0.000 1.053 203 V CA 2.279 64.608 62.300 0.048 0.000 1.027 203 V CB -1.074 30.775 31.823 0.043 0.000 0.646 203 V HN 0.917 nan 8.190 nan 0.000 0.447 204 E N -0.250 119.981 120.200 0.051 0.000 2.110 204 E HA -0.164 4.234 4.350 0.080 0.000 0.193 204 E C 2.109 178.748 176.600 0.066 0.000 0.988 204 E CA 1.292 57.725 56.400 0.055 0.000 0.804 204 E CB -0.400 29.326 29.700 0.044 0.000 0.745 204 E HN 0.428 nan 8.360 nan 0.000 0.458 205 V N 0.778 120.729 119.914 0.062 0.000 2.358 205 V HA -0.238 3.930 4.120 0.080 0.000 0.246 205 V C 2.185 178.327 176.094 0.080 0.000 1.047 205 V CA 1.669 64.008 62.300 0.066 0.000 1.035 205 V CB -0.760 31.096 31.823 0.055 0.000 0.658 205 V HN 0.360 nan 8.190 nan 0.000 0.452 206 A N -0.185 122.682 122.820 0.079 0.000 1.883 206 A HA -0.230 4.139 4.320 0.080 0.000 0.217 206 A C 2.174 179.824 177.584 0.109 0.000 1.186 206 A CA 1.869 53.961 52.037 0.091 0.000 0.624 206 A CB -0.464 18.581 19.000 0.076 0.000 0.822 206 A HN 0.513 nan 8.150 nan 0.000 0.444 207 E N -1.067 119.200 120.200 0.113 0.000 2.106 207 E HA -0.176 4.222 4.350 0.080 0.000 0.192 207 E C 1.884 178.626 176.600 0.237 0.000 0.984 207 E CA 1.419 57.916 56.400 0.162 0.000 0.806 207 E CB -0.492 29.310 29.700 0.170 0.000 0.750 207 E HN 0.606 nan 8.360 nan 0.000 0.458 208 M N 0.484 120.188 119.600 0.174 0.000 2.159 208 M HA -0.060 4.468 4.480 0.080 0.000 0.263 208 M C 2.011 178.412 176.300 0.169 0.000 1.063 208 M CA 1.070 56.471 55.300 0.168 0.000 1.110 208 M CB -0.258 32.402 32.600 0.100 0.000 1.374 208 M HN 0.015 nan 8.290 nan 0.000 0.411 209 I N -0.454 120.200 120.570 0.140 0.000 2.163 209 I HA -0.326 3.892 4.170 0.080 0.000 0.243 209 I C 2.311 178.534 176.117 0.177 0.000 1.085 209 I CA 1.301 62.680 61.300 0.132 0.000 1.347 209 I CB -0.539 37.538 38.000 0.128 0.000 1.044 209 I HN 0.252 nan 8.210 nan 0.000 0.408 210 K N 0.884 121.396 120.400 0.186 0.000 2.002 210 K HA -0.219 4.149 4.320 0.080 0.000 0.209 210 K C 2.033 178.649 176.600 0.027 0.000 1.048 210 K CA 1.951 58.313 56.287 0.125 0.000 0.930 210 K CB -0.788 31.675 32.500 -0.061 0.000 0.714 210 K HN 0.215 nan 8.250 nan 0.000 0.438 211 Y N 0.862 121.200 120.300 0.064 0.000 2.165 211 Y HA -0.215 4.383 4.550 0.080 0.000 0.286 211 Y C 2.406 178.332 175.900 0.044 0.000 1.155 211 Y CA 2.135 60.263 58.100 0.047 0.000 1.164 211 Y CB -0.678 37.808 38.460 0.043 0.000 0.978 211 Y HN 0.137 nan 8.280 nan 0.000 0.513 212 T N -1.169 113.505 114.554 0.200 0.000 2.746 212 T HA -0.222 4.176 4.350 0.080 0.000 0.267 212 T C 2.127 176.878 174.700 0.086 0.000 1.039 212 T CA 1.466 63.642 62.100 0.128 0.000 1.142 212 T CB -0.838 68.078 68.868 0.079 0.000 0.866 212 T HN 0.419 nan 8.240 nan 0.000 0.444 213 C N 1.677 120.997 119.300 0.033 0.000 2.413 213 C HA -0.075 4.433 4.460 0.080 0.000 0.276 213 C C 2.822 177.542 174.990 -0.450 0.000 1.236 213 C CA 0.594 59.542 59.018 -0.116 0.000 1.735 213 C CB -1.248 26.476 27.740 -0.027 0.000 2.031 213 C HN 0.547 nan 8.230 nan 0.000 0.474 214 N N 0.695 119.255 118.700 -0.233 0.000 2.142 214 N HA -0.081 4.707 4.740 0.080 0.000 0.186 214 N C 1.621 177.109 175.510 -0.037 0.000 1.023 214 N CA 1.093 54.027 53.050 -0.193 0.000 0.852 214 N CB -0.468 37.978 38.487 -0.069 0.000 0.998 214 N HN 0.344 nan 8.380 nan 0.000 0.424 215 V N 0.242 120.196 119.914 0.068 0.000 2.515 215 V HA -0.168 4.000 4.120 0.080 0.000 0.250 215 V C 2.020 178.232 176.094 0.198 0.000 1.058 215 V CA 1.019 63.401 62.300 0.137 0.000 1.064 215 V CB -0.563 31.359 31.823 0.165 0.000 0.675 215 V HN 0.495 nan 8.190 nan 0.000 0.461 216 W N 1.023 122.315 121.300 -0.013 0.000 2.335 216 W HA -0.230 4.478 4.660 0.079 0.000 0.311 216 W C 2.476 179.080 176.519 0.142 0.000 1.213 216 W CA 2.027 59.397 57.345 0.042 0.000 1.274 216 W CB -0.360 29.119 29.460 0.030 0.000 1.148 216 W HN 0.419 nan 8.180 nan 0.000 0.498 217 H N -0.053 119.015 119.070 -0.003 0.000 2.352 217 H HA -0.161 4.443 4.556 0.080 0.000 0.299 217 H C 2.480 177.730 175.328 -0.130 0.000 1.097 217 H CA 1.233 57.200 56.048 -0.135 0.000 1.311 217 H CB -0.397 29.358 29.762 -0.012 0.000 1.377 217 H HN 0.190 nan 8.280 nan 0.000 0.504 218 A N 1.332 124.200 122.820 0.080 0.000 1.902 218 A HA -0.119 4.249 4.320 0.080 0.000 0.217 218 A C 2.585 180.169 177.584 -0.000 0.000 1.181 218 A CA 1.361 53.423 52.037 0.042 0.000 0.623 218 A CB -0.849 18.190 19.000 0.064 0.000 0.818 218 A HN 0.470 nan 8.150 nan 0.000 0.443 219 A N -0.153 122.657 122.820 -0.016 0.000 1.933 219 A HA -0.147 4.221 4.320 0.080 0.000 0.218 219 A C 2.101 179.598 177.584 -0.144 0.000 1.175 219 A CA 1.773 53.792 52.037 -0.030 0.000 0.628 219 A CB -0.405 18.629 19.000 0.056 0.000 0.814 219 A HN 0.557 nan 8.150 nan 0.000 0.444 220 K N -0.427 119.748 120.400 -0.374 0.000 2.002 220 K HA -0.088 4.280 4.320 0.080 0.000 0.209 220 K C 1.888 178.423 176.600 -0.108 0.000 1.048 220 K CA 1.496 57.557 56.287 -0.375 0.000 0.930 220 K CB -0.478 31.691 32.500 -0.552 0.000 0.714 220 K HN 0.281 nan 8.250 nan 0.000 0.438 221 V N 1.474 121.336 119.914 -0.087 0.000 2.287 221 V HA -0.272 3.896 4.120 0.080 0.000 0.248 221 V C 2.193 178.287 176.094 0.000 0.000 1.053 221 V CA 2.214 64.494 62.300 -0.033 0.000 1.027 221 V CB -0.718 31.090 31.823 -0.024 0.000 0.646 221 V HN 0.429 nan 8.190 nan 0.000 0.447 222 T N -0.139 114.423 114.554 0.014 0.000 2.746 222 T HA -0.189 4.209 4.350 0.080 0.000 0.267 222 T C 1.652 176.379 174.700 0.044 0.000 1.039 222 T CA 1.915 64.032 62.100 0.029 0.000 1.142 222 T CB -0.396 68.499 68.868 0.044 0.000 0.866 222 T HN 0.468 nan 8.240 nan 0.000 0.444 223 F N 2.220 122.133 119.950 -0.063 0.000 2.075 223 F HA -0.024 4.551 4.527 0.079 0.000 0.297 223 F C 2.490 178.257 175.800 -0.054 0.000 1.113 223 F CA 1.173 59.139 58.000 -0.056 0.000 1.218 223 F CB -0.650 38.300 39.000 -0.083 0.000 0.984 223 F HN 0.139 nan 8.300 nan 0.000 0.472 224 A N 0.556 123.427 122.820 0.085 0.000 1.908 224 A HA -0.245 4.123 4.320 0.080 0.000 0.218 224 A C 2.032 179.556 177.584 -0.100 0.000 1.181 224 A CA 2.068 54.099 52.037 -0.010 0.000 0.627 224 A CB -1.001 18.020 19.000 0.034 0.000 0.818 224 A HN 0.538 nan 8.150 nan 0.000 0.445 225 N N -0.003 118.653 118.700 -0.074 0.000 2.142 225 N HA -0.122 4.666 4.740 0.080 0.000 0.186 225 N C 1.673 177.120 175.510 -0.105 0.000 1.023 225 N CA 1.571 54.578 53.050 -0.071 0.000 0.852 225 N CB -0.449 38.013 38.487 -0.041 0.000 0.998 225 N HN 0.663 nan 8.380 nan 0.000 0.424 226 E N 0.321 120.436 120.200 -0.142 0.000 2.072 226 E HA -0.070 4.328 4.350 0.080 0.000 0.191 226 E C 1.807 178.278 176.600 -0.215 0.000 0.985 226 E CA 0.496 56.809 56.400 -0.146 0.000 0.801 226 E CB 0.030 29.656 29.700 -0.123 0.000 0.750 226 E HN 0.233 nan 8.360 nan 0.000 0.452 227 I N 0.983 121.337 120.570 -0.361 0.000 2.226 227 I HA -0.161 4.057 4.170 0.080 0.000 0.245 227 I C 2.539 178.543 176.117 -0.189 0.000 1.100 227 I CA 1.410 62.504 61.300 -0.344 0.000 1.374 227 I CB -1.567 36.135 38.000 -0.496 0.000 1.057 227 I HN 0.131 nan 8.210 nan 0.000 0.413 228 G N 1.205 109.914 108.800 -0.151 0.000 2.440 228 G HA2 -0.275 3.733 3.960 0.080 0.000 0.218 228 G HA3 -0.275 3.733 3.960 0.080 0.000 0.218 228 G C 1.478 176.332 174.900 -0.076 0.000 1.154 228 G CA 0.658 45.703 45.100 -0.092 0.000 0.767 228 G HN 0.340 nan 8.290 nan 0.000 0.552 229 N N 0.671 119.324 118.700 -0.078 0.000 2.120 229 N HA -0.040 4.748 4.740 0.080 0.000 0.188 229 N C 2.220 177.693 175.510 -0.061 0.000 1.024 229 N CA 0.810 53.826 53.050 -0.057 0.000 0.852 229 N CB -0.271 38.189 38.487 -0.045 0.000 1.003 229 N HN 0.377 nan 8.380 nan 0.000 0.424 230 I N 0.956 121.475 120.570 -0.085 0.000 2.202 230 I HA -0.202 4.016 4.170 0.080 0.000 0.242 230 I C 2.316 178.391 176.117 -0.070 0.000 1.091 230 I CA 0.896 62.144 61.300 -0.088 0.000 1.368 230 I CB -0.332 37.593 38.000 -0.124 0.000 1.058 230 I HN 0.046 nan 8.210 nan 0.000 0.410 231 A N 0.935 123.712 122.820 -0.072 0.000 1.883 231 A HA -0.304 4.064 4.320 0.080 0.000 0.217 231 A C 2.397 179.956 177.584 -0.041 0.000 1.186 231 A CA 2.233 54.237 52.037 -0.054 0.000 0.624 231 A CB -0.646 18.322 19.000 -0.053 0.000 0.822 231 A HN 0.377 nan 8.150 nan 0.000 0.444 232 K N -0.405 119.971 120.400 -0.040 0.000 2.063 232 K HA -0.110 4.258 4.320 0.080 0.000 0.208 232 K C 2.077 178.660 176.600 -0.028 0.000 1.048 232 K CA 1.331 57.599 56.287 -0.031 0.000 0.928 232 K CB -0.343 32.139 32.500 -0.029 0.000 0.713 232 K HN 0.375 nan 8.250 nan 0.000 0.442 233 A N 0.736 123.537 122.820 -0.032 0.000 2.015 233 A HA -0.081 4.287 4.320 0.080 0.000 0.219 233 A C 1.961 179.530 177.584 -0.025 0.000 1.163 233 A CA 1.531 53.551 52.037 -0.028 0.000 0.646 233 A CB -0.427 18.554 19.000 -0.032 0.000 0.806 233 A HN 0.320 nan 8.150 nan 0.000 0.448 234 V N -3.900 115.997 119.914 -0.028 0.000 3.633 234 V HA 0.526 4.694 4.120 0.080 0.000 0.283 234 V C 1.151 177.234 176.094 -0.019 0.000 1.305 234 V CA 0.620 62.906 62.300 -0.023 0.000 1.153 234 V CB -0.858 30.950 31.823 -0.025 0.000 0.950 234 V HN 1.474 nan 8.190 nan 0.000 0.432 235 G N 0.223 109.011 108.800 -0.019 0.000 2.142 235 G HA2 -0.119 3.889 3.960 0.080 0.000 0.225 235 G HA3 -0.119 3.889 3.960 0.080 0.000 0.225 235 G C -0.001 174.889 174.900 -0.015 0.000 1.015 235 G CA 0.501 45.591 45.100 -0.016 0.000 0.716 235 G HN 1.839 nan 8.290 nan 0.000 0.508 236 V N -3.669 116.234 119.914 -0.019 0.000 3.126 236 V HA 0.866 5.034 4.120 0.080 0.000 0.314 236 V C -0.259 175.823 176.094 -0.020 0.000 1.138 236 V CA -1.150 61.140 62.300 -0.018 0.000 1.034 236 V CB 2.222 34.035 31.823 -0.018 0.000 1.075 236 V HN 0.122 nan 8.190 nan 0.000 0.442 237 D N 1.252 121.642 120.400 -0.017 0.000 2.339 237 D HA 0.347 5.035 4.640 0.080 0.000 0.241 237 D C 1.297 177.584 176.300 -0.020 0.000 1.183 237 D CA 0.773 54.762 54.000 -0.017 0.000 0.859 237 D CB 1.402 42.194 40.800 -0.012 0.000 1.067 237 D HN 0.887 nan 8.370 nan 0.000 0.484 238 G N 4.173 112.957 108.800 -0.027 0.000 2.450 238 G HA2 -0.281 3.728 3.960 0.080 0.000 0.220 238 G HA3 -0.281 3.728 3.960 0.080 0.000 0.220 238 G C 1.546 176.432 174.900 -0.024 0.000 1.130 238 G CA 0.451 45.531 45.100 -0.034 0.000 0.760 238 G HN 0.500 nan 8.290 nan 0.000 0.557 239 R N -0.008 120.482 120.500 -0.017 0.000 2.092 239 R HA 0.042 4.430 4.340 0.080 0.000 0.231 239 R C 2.397 178.693 176.300 -0.005 0.000 1.119 239 R CA 1.164 57.258 56.100 -0.011 0.000 0.970 239 R CB -0.282 30.012 30.300 -0.010 0.000 0.864 239 R HN 0.510 nan 8.270 nan 0.000 0.440 240 E N 0.792 120.988 120.200 -0.006 0.000 2.077 240 E HA -0.161 4.237 4.350 0.080 0.000 0.193 240 E C 1.847 178.447 176.600 -0.000 0.000 0.989 240 E CA 1.243 57.642 56.400 -0.003 0.000 0.800 240 E CB 0.179 29.876 29.700 -0.005 0.000 0.746 240 E HN 0.087 nan 8.360 nan 0.000 0.452 241 V N 1.050 120.961 119.914 -0.004 0.000 2.261 241 V HA -0.283 3.885 4.120 0.080 0.000 0.246 241 V C 2.482 178.583 176.094 0.012 0.000 1.047 241 V CA 1.665 63.965 62.300 0.000 0.000 1.015 241 V CB -0.401 31.416 31.823 -0.011 0.000 0.642 241 V HN 0.424 nan 8.190 nan 0.000 0.446 242 M N -0.497 119.110 119.600 0.012 0.000 2.229 242 M HA -0.129 4.399 4.480 0.080 0.000 0.264 242 M C 1.931 178.243 176.300 0.020 0.000 1.063 242 M CA 1.397 56.714 55.300 0.029 0.000 1.114 242 M CB -1.406 31.209 32.600 0.027 0.000 1.387 242 M HN 0.351 nan 8.290 nan 0.000 0.420 243 D N 0.262 120.669 120.400 0.012 0.000 2.123 243 D HA -0.112 4.576 4.640 0.080 0.000 0.196 243 D C 2.249 178.558 176.300 0.015 0.000 0.992 243 D CA 1.121 55.129 54.000 0.012 0.000 0.833 243 D CB -0.164 40.642 40.800 0.009 0.000 0.954 243 D HN 0.152 nan 8.370 nan 0.000 0.455 244 V N 0.787 120.710 119.914 0.015 0.000 2.358 244 V HA -0.203 3.965 4.120 0.080 0.000 0.246 244 V C 2.385 178.488 176.094 0.015 0.000 1.047 244 V CA 0.818 63.128 62.300 0.017 0.000 1.035 244 V CB -0.279 31.553 31.823 0.015 0.000 0.658 244 V HN 0.096 nan 8.190 nan 0.000 0.452 245 I N -0.060 120.521 120.570 0.017 0.000 2.194 245 I HA -0.264 3.954 4.170 0.080 0.000 0.246 245 I C 2.300 178.404 176.117 -0.022 0.000 1.093 245 I CA 1.548 62.856 61.300 0.013 0.000 1.355 245 I CB -0.785 37.242 38.000 0.045 0.000 1.046 245 I HN 0.317 nan 8.210 nan 0.000 0.413 246 C N -0.174 119.112 119.300 -0.024 0.000 2.491 246 C HA -0.051 4.457 4.460 0.080 0.000 0.277 246 C C 2.386 177.339 174.990 -0.062 0.000 1.455 246 C CA 0.182 59.160 59.018 -0.067 0.000 1.758 246 C CB -1.491 26.234 27.740 -0.026 0.000 1.745 246 C HN 0.522 nan 8.230 nan 0.000 0.558 247 Q N 0.261 120.063 119.800 0.004 0.000 2.451 247 Q HA -0.021 4.367 4.340 0.080 0.000 0.206 247 Q C 0.181 176.245 176.000 0.107 0.000 0.947 247 Q CA 0.485 56.338 55.803 0.085 0.000 0.937 247 Q CB 0.038 28.815 28.738 0.065 0.000 1.025 247 Q HN 0.563 nan 8.270 nan 0.000 0.511 248 D N -0.134 120.259 120.400 -0.013 0.000 2.428 248 D HA 0.014 4.702 4.640 0.080 0.000 0.221 248 D C 0.140 176.385 176.300 -0.092 0.000 1.123 248 D CA -0.164 53.837 54.000 0.001 0.000 0.869 248 D CB 0.382 41.183 40.800 0.001 0.000 1.032 248 D HN 0.124 nan 8.370 nan 0.000 0.506 249 H N 2.662 121.744 119.070 0.021 0.000 2.529 249 H HA 0.138 4.742 4.556 0.080 0.000 0.277 249 H C 0.945 176.284 175.328 0.018 0.000 1.004 249 H CA 0.113 56.175 56.048 0.023 0.000 1.167 249 H CB 1.005 30.776 29.762 0.014 0.000 1.445 249 H HN 0.389 nan 8.280 nan 0.000 0.554 250 K N 0.130 120.580 120.400 0.083 0.000 2.141 250 K HA 0.118 4.486 4.320 0.080 0.000 0.202 250 K C 1.625 178.234 176.600 0.016 0.000 1.045 250 K CA 0.515 56.820 56.287 0.029 0.000 0.971 250 K CB 0.721 33.219 32.500 -0.003 0.000 0.795 250 K HN 0.113 nan 8.250 nan 0.000 0.459 251 L N -0.059 121.194 121.223 0.050 0.000 2.515 251 L HA 0.085 4.473 4.340 0.080 0.000 0.202 251 L C 1.700 178.692 176.870 0.202 0.000 1.056 251 L CA 0.090 55.018 54.840 0.147 0.000 0.847 251 L CB -0.248 41.921 42.059 0.182 0.000 1.131 251 L HN 0.013 nan 8.230 nan 0.000 0.484 252 N N 1.021 119.777 118.700 0.093 0.000 2.062 252 N HA -0.038 4.750 4.740 0.080 0.000 0.191 252 N C 1.335 176.860 175.510 0.024 0.000 1.042 252 N CA 1.315 54.389 53.050 0.041 0.000 0.845 252 N CB -0.082 38.391 38.487 -0.024 0.000 1.024 252 N HN 0.183 nan 8.380 nan 0.000 0.424 253 L N 1.043 122.229 121.223 -0.061 0.000 2.912 253 L HA 0.245 4.633 4.340 0.080 0.000 0.240 253 L C 0.455 177.345 176.870 0.034 0.000 1.262 253 L CA -0.319 54.484 54.840 -0.063 0.000 1.058 253 L CB -0.251 41.630 42.059 -0.298 0.000 1.383 253 L HN 0.095 nan 8.230 nan 0.000 0.512 254 S N -1.025 114.721 115.700 0.076 0.000 2.798 254 S HA 0.380 4.898 4.470 0.080 0.000 0.312 254 S C 0.989 175.635 174.600 0.076 0.000 1.122 254 S CA -0.879 57.372 58.200 0.085 0.000 0.949 254 S CB 1.368 64.619 63.200 0.085 0.000 1.235 254 S HN 0.408 nan 8.310 nan 0.000 0.552 255 R N -0.878 119.649 120.500 0.045 0.000 2.307 255 R HA 0.113 4.501 4.340 0.080 0.000 0.199 255 R C -0.008 176.289 176.300 -0.004 0.000 1.000 255 R CA -0.067 56.030 56.100 -0.006 0.000 1.023 255 R CB -0.669 29.611 30.300 -0.034 0.000 0.908 255 R HN 0.588 nan 8.270 nan 0.000 0.473 256 Y N 1.346 121.591 120.300 -0.092 0.000 2.597 256 Y HA -0.143 4.454 4.550 0.078 0.000 0.336 256 Y C -0.028 175.789 175.900 -0.138 0.000 1.216 256 Y CA 0.896 58.862 58.100 -0.224 0.000 1.463 256 Y CB 0.203 38.453 38.460 -0.351 0.000 1.303 256 Y HN 0.245 nan 8.280 nan 0.000 0.576 257 Y N 0.510 120.485 120.300 -0.543 0.000 4.894 257 Y HA -0.343 4.254 4.550 0.078 0.000 0.270 257 Y C 1.060 176.832 175.900 -0.214 0.000 0.930 257 Y CA 0.740 58.637 58.100 -0.338 0.000 1.814 257 Y CB -1.595 36.782 38.460 -0.138 0.000 1.235 257 Y HN 0.574 nan 8.280 nan 0.000 0.480 258 M N 0.439 119.975 119.600 -0.107 0.000 2.493 258 M HA 0.173 4.701 4.480 0.080 0.000 0.244 258 M C 0.252 176.470 176.300 -0.137 0.000 1.182 258 M CA 0.612 55.825 55.300 -0.145 0.000 0.981 258 M CB -0.171 32.303 32.600 -0.209 0.000 1.551 258 M HN 0.093 nan 8.290 nan 0.000 0.476 259 R N 1.447 121.875 120.500 -0.121 0.000 2.229 259 R HA 0.406 4.794 4.340 0.080 0.000 0.328 259 R C -2.168 174.133 176.300 0.000 0.000 1.009 259 R CA -1.518 54.527 56.100 -0.092 0.000 0.864 259 R CB 0.199 30.419 30.300 -0.134 0.000 1.085 259 R HN 0.019 nan 8.270 nan 0.000 0.453 260 P HA 0.173 nan 4.420 nan 0.000 0.268 260 P C 0.006 177.486 177.300 0.300 0.000 1.204 260 P CA -0.043 63.160 63.100 0.171 0.000 0.768 260 P CB 1.181 33.016 31.700 0.225 0.000 0.842 261 G N 0.819 109.785 108.800 0.276 0.000 2.637 261 G HA2 0.242 4.250 3.960 0.080 0.000 0.112 261 G HA3 0.242 4.250 3.960 0.080 0.000 0.112 261 G C -1.610 173.478 174.900 0.314 0.000 1.181 261 G CA -0.344 44.953 45.100 0.328 0.000 1.150 261 G HN 0.389 nan 8.290 nan 0.000 0.561 262 F N 1.926 121.944 119.950 0.114 0.000 2.410 262 F HA 0.807 5.381 4.527 0.078 0.000 0.324 262 F C 1.014 176.865 175.800 0.084 0.000 1.093 262 F CA -0.723 57.327 58.000 0.082 0.000 1.028 262 F CB 1.356 40.410 39.000 0.090 0.000 1.309 262 F HN 0.756 nan 8.300 nan 0.000 0.499 263 A N 2.210 124.655 122.820 -0.626 0.000 2.547 263 A HA 0.266 4.634 4.320 0.080 0.000 0.233 263 A C -0.529 176.918 177.584 -0.229 0.000 1.067 263 A CA -0.111 51.598 52.037 -0.546 0.000 0.763 263 A CB -0.913 17.576 19.000 -0.851 0.000 1.007 263 A HN 0.611 nan 8.150 nan 0.000 0.506 264 F N 0.474 120.392 119.950 -0.053 0.000 2.380 264 F HA 0.758 5.331 4.527 0.077 0.000 0.325 264 F C 0.651 176.480 175.800 0.047 0.000 1.136 264 F CA -0.391 57.641 58.000 0.054 0.000 1.171 264 F CB 0.468 39.510 39.000 0.070 0.000 1.230 264 F HN 0.791 nan 8.300 nan 0.000 0.554 265 G N -0.894 108.142 108.800 0.394 0.000 2.664 265 G HA2 0.651 4.660 3.960 0.080 0.000 0.303 265 G HA3 0.651 4.660 3.960 0.080 0.000 0.303 265 G C -0.526 174.439 174.900 0.108 0.000 1.243 265 G CA -0.227 45.003 45.100 0.216 0.000 0.826 265 G HN 1.832 nan 8.290 nan 0.000 0.498 266 G N -1.451 107.181 108.800 -0.281 0.000 2.631 266 G HA2 0.279 4.287 3.960 0.080 0.000 0.504 266 G HA3 0.279 4.287 3.960 0.080 0.000 0.504 266 G C 0.968 175.567 174.900 -0.502 0.000 1.306 266 G CA 0.619 45.063 45.100 -1.093 0.000 0.897 266 G HN 2.043 nan 8.290 nan 0.000 0.520 267 S N -1.798 113.592 115.700 -0.517 0.000 2.603 267 S HA 0.225 4.743 4.470 0.080 0.000 0.220 267 S C 1.548 176.069 174.600 -0.132 0.000 0.967 267 S CA 1.678 59.730 58.200 -0.246 0.000 0.920 267 S CB -0.010 63.067 63.200 -0.205 0.000 0.773 267 S HN 1.173 nan 8.310 nan 0.000 0.529 268 C N -0.179 119.057 119.300 -0.107 0.000 2.904 268 C HA 0.431 4.939 4.460 0.080 0.000 0.524 268 C C 2.330 177.313 174.990 -0.012 0.000 1.313 268 C CA -0.355 58.640 59.018 -0.038 0.000 2.614 268 C CB -1.066 26.666 27.740 -0.014 0.000 3.335 268 C HN 0.469 nan 8.230 nan 0.000 0.519 269 L N 1.895 123.121 121.223 0.005 0.000 1.989 269 L HA -0.099 4.289 4.340 0.080 0.000 0.211 269 L C -0.565 176.346 176.870 0.068 0.000 1.071 269 L CA 2.144 56.964 54.840 -0.033 0.000 0.749 269 L CB -2.157 39.811 42.059 -0.152 0.000 0.890 269 L HN 0.231 nan 8.230 nan 0.000 0.431 270 P HA -0.212 nan 4.420 nan 0.000 0.214 270 P C 1.366 178.729 177.300 0.105 0.000 1.163 270 P CA 1.563 64.802 63.100 0.232 0.000 0.883 270 P CB -0.113 31.679 31.700 0.153 0.000 0.788 271 K N -0.686 119.741 120.400 0.045 0.000 2.097 271 K HA -0.149 4.219 4.320 0.080 0.000 0.206 271 K C 1.310 177.918 176.600 0.014 0.000 1.049 271 K CA 1.831 58.128 56.287 0.016 0.000 0.933 271 K CB -0.856 31.638 32.500 -0.011 0.000 0.717 271 K HN -0.000 nan 8.250 nan 0.000 0.442 272 D N 1.102 121.508 120.400 0.010 0.000 2.149 272 D HA -0.074 4.614 4.640 0.080 0.000 0.201 272 D C 2.123 178.428 176.300 0.009 0.000 0.972 272 D CA 0.846 54.846 54.000 -0.001 0.000 0.835 272 D CB -0.120 40.672 40.800 -0.014 0.000 0.966 272 D HN 0.070 nan 8.370 nan 0.000 0.476 273 V N 1.182 121.111 119.914 0.024 0.000 2.295 273 V HA -0.232 3.936 4.120 0.080 0.000 0.246 273 V C 2.472 178.604 176.094 0.063 0.000 1.049 273 V CA 1.565 63.893 62.300 0.047 0.000 1.024 273 V CB -0.359 31.521 31.823 0.096 0.000 0.648 273 V HN 0.135 nan 8.190 nan 0.000 0.447 274 R N 0.010 120.554 120.500 0.075 0.000 2.091 274 R HA -0.148 4.240 4.340 0.080 0.000 0.238 274 R C 2.428 178.778 176.300 0.084 0.000 1.136 274 R CA 1.565 57.715 56.100 0.084 0.000 0.959 274 R CB -0.601 29.737 30.300 0.064 0.000 0.856 274 R HN 0.552 nan 8.270 nan 0.000 0.437 275 A N 1.120 123.965 122.820 0.042 0.000 1.873 275 A HA -0.141 4.227 4.320 0.080 0.000 0.215 275 A C 2.092 179.707 177.584 0.051 0.000 1.186 275 A CA 0.944 53.003 52.037 0.037 0.000 0.616 275 A CB -0.491 18.508 19.000 -0.002 0.000 0.823 275 A HN 0.214 nan 8.150 nan 0.000 0.442 276 L N 0.564 121.792 121.223 0.008 0.000 2.046 276 L HA -0.149 4.239 4.340 0.080 0.000 0.208 276 L C 2.805 179.617 176.870 -0.097 0.000 1.077 276 L CA 2.920 57.737 54.840 -0.038 0.000 0.747 276 L CB -0.852 41.174 42.059 -0.056 0.000 0.896 276 L HN 0.599 nan 8.230 nan 0.000 0.432 277 T N -3.861 110.640 114.554 -0.088 0.000 2.821 277 T HA -0.267 4.132 4.350 0.080 0.000 0.267 277 T C 1.914 176.558 174.700 -0.092 0.000 1.046 277 T CA 1.432 63.402 62.100 -0.216 0.000 1.139 277 T CB -1.037 67.827 68.868 -0.006 0.000 0.871 277 T HN 0.420 nan 8.240 nan 0.000 0.454 278 Y N 2.287 122.554 120.300 -0.055 0.000 2.145 278 Y HA -0.080 4.520 4.550 0.083 0.000 0.286 278 Y C 2.902 178.779 175.900 -0.039 0.000 1.145 278 Y CA 1.774 59.863 58.100 -0.018 0.000 1.148 278 Y CB -0.266 38.190 38.460 -0.007 0.000 0.981 278 Y HN 0.064 nan 8.280 nan 0.000 0.507 279 R N 0.797 121.369 120.500 0.119 0.000 2.081 279 R HA -0.140 4.248 4.340 0.080 0.000 0.235 279 R C 2.276 178.535 176.300 -0.069 0.000 1.131 279 R CA 1.645 57.768 56.100 0.039 0.000 0.960 279 R CB -1.141 29.175 30.300 0.027 0.000 0.856 279 R HN 0.414 nan 8.270 nan 0.000 0.436 280 A N -0.588 122.141 122.820 -0.151 0.000 1.908 280 A HA -0.160 4.208 4.320 0.080 0.000 0.218 280 A C 2.281 179.811 177.584 -0.090 0.000 1.181 280 A CA 2.068 53.990 52.037 -0.192 0.000 0.627 280 A CB -0.839 17.884 19.000 -0.462 0.000 0.818 280 A HN 0.434 nan 8.150 nan 0.000 0.445 281 S N -0.419 115.234 115.700 -0.079 0.000 2.356 281 S HA -0.216 4.302 4.470 0.080 0.000 0.223 281 S C 2.097 176.630 174.600 -0.112 0.000 1.032 281 S CA 1.551 59.729 58.200 -0.037 0.000 1.005 281 S CB -0.368 62.767 63.200 -0.107 0.000 0.867 281 S HN 0.693 nan 8.310 nan 0.000 0.449 282 Q N 0.208 119.906 119.800 -0.170 0.000 2.181 282 Q HA -0.011 4.377 4.340 0.080 0.000 0.205 282 Q C 1.457 177.424 176.000 -0.056 0.000 0.980 282 Q CA 0.903 56.636 55.803 -0.116 0.000 0.862 282 Q CB -0.246 28.451 28.738 -0.068 0.000 0.905 282 Q HN 0.481 nan 8.270 nan 0.000 0.429 283 L N 0.543 121.738 121.223 -0.047 0.000 2.629 283 L HA 0.026 4.415 4.340 0.080 0.000 0.230 283 L C -0.468 176.389 176.870 -0.022 0.000 1.151 283 L CA -0.172 54.649 54.840 -0.030 0.000 0.924 283 L CB 0.208 42.248 42.059 -0.032 0.000 1.137 283 L HN 0.158 nan 8.230 nan 0.000 0.457 284 D N -0.222 120.166 120.400 -0.020 0.000 2.870 284 D HA -0.137 4.551 4.640 0.080 0.000 0.228 284 D C -0.193 176.112 176.300 0.007 0.000 1.147 284 D CA 0.480 54.474 54.000 -0.009 0.000 0.757 284 D CB -1.471 39.320 40.800 -0.014 0.000 1.091 284 D HN 0.056 nan 8.370 nan 0.000 0.429 285 V N 1.012 120.942 119.914 0.027 0.000 2.318 285 V HA 0.123 4.291 4.120 0.080 0.000 0.271 285 V C 0.922 177.111 176.094 0.158 0.000 1.030 285 V CA -0.553 61.776 62.300 0.050 0.000 0.844 285 V CB 1.346 33.177 31.823 0.013 0.000 1.015 285 V HN -0.002 nan 8.190 nan 0.000 0.460 286 E N 4.678 124.926 120.200 0.080 0.000 2.398 286 E HA 0.202 4.600 4.350 0.080 0.000 0.263 286 E C -0.069 176.580 176.600 0.080 0.000 1.046 286 E CA 0.020 56.432 56.400 0.020 0.000 0.908 286 E CB 0.380 30.054 29.700 -0.044 0.000 0.963 286 E HN 0.877 nan 8.360 nan 0.000 0.431 287 H N 1.044 120.094 119.070 -0.033 0.000 2.696 287 H HA 0.179 4.783 4.556 0.080 0.000 0.221 287 H C -2.661 172.658 175.328 -0.014 0.000 1.399 287 H CA -1.924 54.104 56.048 -0.033 0.000 1.408 287 H CB 0.204 29.940 29.762 -0.043 0.000 1.853 287 H HN 0.266 nan 8.280 nan 0.000 0.546 288 P HA -0.206 nan 4.420 nan 0.000 0.216 288 P C 1.995 179.300 177.300 0.008 0.000 1.153 288 P CA 1.425 64.484 63.100 -0.068 0.000 0.858 288 P CB 0.321 31.997 31.700 -0.039 0.000 0.789 289 M N -1.225 118.405 119.600 0.049 0.000 2.098 289 M HA -0.097 4.431 4.480 0.080 0.000 0.262 289 M C 1.913 178.287 176.300 0.124 0.000 1.072 289 M CA 1.771 57.123 55.300 0.087 0.000 1.133 289 M CB -0.590 32.068 32.600 0.097 0.000 1.344 289 M HN -0.168 nan 8.290 nan 0.000 0.414 290 L N -0.330 120.979 121.223 0.144 0.000 2.131 290 L HA -0.114 4.274 4.340 0.080 0.000 0.210 290 L C 2.377 179.372 176.870 0.209 0.000 1.092 290 L CA 1.194 56.134 54.840 0.167 0.000 0.759 290 L CB -1.227 40.897 42.059 0.108 0.000 0.903 290 L HN 0.511 nan 8.230 nan 0.000 0.435 291 G N -0.951 107.992 108.800 0.238 0.000 2.848 291 G HA2 -0.128 3.880 3.960 0.080 0.000 0.208 291 G HA3 -0.128 3.880 3.960 0.080 0.000 0.208 291 G C 1.577 176.532 174.900 0.092 0.000 1.152 291 G CA 0.761 45.967 45.100 0.176 0.000 0.789 291 G HN 0.492 nan 8.290 nan 0.000 0.531 292 S N -0.398 115.358 115.700 0.093 0.000 2.511 292 S HA 0.201 4.719 4.470 0.080 0.000 0.214 292 S C 2.085 176.746 174.600 0.101 0.000 0.997 292 S CA -0.242 58.004 58.200 0.077 0.000 0.908 292 S CB -0.083 63.157 63.200 0.067 0.000 0.803 292 S HN 0.235 nan 8.310 nan 0.000 0.504 293 L N 0.660 121.970 121.223 0.144 0.000 2.017 293 L HA -0.056 4.332 4.340 0.080 0.000 0.208 293 L C 2.802 179.779 176.870 0.178 0.000 1.073 293 L CA 1.213 56.174 54.840 0.202 0.000 0.745 293 L CB -0.681 41.536 42.059 0.264 0.000 0.894 293 L HN 0.312 nan 8.230 nan 0.000 0.432 294 M N -0.464 119.223 119.600 0.146 0.000 2.159 294 M HA -0.170 4.358 4.480 0.080 0.000 0.263 294 M C 2.376 178.666 176.300 -0.016 0.000 1.063 294 M CA 1.507 56.840 55.300 0.055 0.000 1.110 294 M CB -1.277 31.364 32.600 0.069 0.000 1.374 294 M HN 0.142 nan 8.290 nan 0.000 0.411 295 R N 0.386 120.894 120.500 0.014 0.000 2.081 295 R HA -0.054 4.334 4.340 0.080 0.000 0.235 295 R C 2.419 178.708 176.300 -0.019 0.000 1.131 295 R CA 2.102 58.198 56.100 -0.006 0.000 0.960 295 R CB -1.043 29.263 30.300 0.010 0.000 0.856 295 R HN 0.318 nan 8.270 nan 0.000 0.436 296 S N -0.055 115.648 115.700 0.005 0.000 2.368 296 S HA -0.150 4.368 4.470 0.080 0.000 0.225 296 S C 1.780 176.348 174.600 -0.053 0.000 1.030 296 S CA 1.653 59.855 58.200 0.004 0.000 0.999 296 S CB -0.473 62.759 63.200 0.052 0.000 0.844 296 S HN 0.530 nan 8.310 nan 0.000 0.459 297 N N 0.765 119.395 118.700 -0.116 0.000 2.084 297 N HA -0.019 4.769 4.740 0.080 0.000 0.190 297 N C 1.858 177.204 175.510 -0.273 0.000 1.030 297 N CA 1.857 54.726 53.050 -0.302 0.000 0.849 297 N CB -0.455 37.653 38.487 -0.632 0.000 1.012 297 N HN 0.309 nan 8.380 nan 0.000 0.423 298 S N 0.032 115.616 115.700 -0.193 0.000 2.382 298 S HA -0.068 4.450 4.470 0.080 0.000 0.228 298 S C 1.574 176.114 174.600 -0.100 0.000 1.027 298 S CA 0.954 59.067 58.200 -0.145 0.000 0.991 298 S CB -0.536 62.606 63.200 -0.097 0.000 0.823 298 S HN 0.465 nan 8.310 nan 0.000 0.469 299 N N 0.642 119.300 118.700 -0.071 0.000 2.149 299 N HA -0.188 4.600 4.740 0.080 0.000 0.188 299 N C 1.910 177.409 175.510 -0.018 0.000 1.019 299 N CA 1.025 54.056 53.050 -0.033 0.000 0.857 299 N CB -0.127 38.350 38.487 -0.015 0.000 0.997 299 N HN 0.264 nan 8.380 nan 0.000 0.426 300 Q N 0.923 120.690 119.800 -0.055 0.000 2.119 300 Q HA -0.041 4.347 4.340 0.080 0.000 0.201 300 Q C 1.888 177.919 176.000 0.052 0.000 0.972 300 Q CA 0.924 56.716 55.803 -0.019 0.000 0.847 300 Q CB -0.003 28.683 28.738 -0.087 0.000 0.903 300 Q HN 0.149 nan 8.270 nan 0.000 0.433 301 V N 0.313 120.180 119.914 -0.079 0.000 2.295 301 V HA -0.274 3.894 4.120 0.080 0.000 0.246 301 V C 2.277 178.490 176.094 0.197 0.000 1.049 301 V CA 2.041 64.389 62.300 0.081 0.000 1.024 301 V CB -0.698 31.095 31.823 -0.051 0.000 0.648 301 V HN 0.400 nan 8.190 nan 0.000 0.447 302 Q N 0.643 120.494 119.800 0.085 0.000 2.096 302 Q HA -0.239 4.149 4.340 0.080 0.000 0.204 302 Q C 2.201 178.301 176.000 0.167 0.000 0.982 302 Q CA 2.130 57.991 55.803 0.096 0.000 0.850 302 Q CB -0.423 28.327 28.738 0.020 0.000 0.901 302 Q HN 0.604 nan 8.270 nan 0.000 0.422 303 K N -0.879 119.596 120.400 0.126 0.000 2.032 303 K HA -0.167 4.201 4.320 0.080 0.000 0.209 303 K C 1.899 178.559 176.600 0.100 0.000 1.048 303 K CA 1.360 57.705 56.287 0.097 0.000 0.927 303 K CB -0.361 32.181 32.500 0.070 0.000 0.712 303 K HN 0.282 nan 8.250 nan 0.000 0.441 304 A N 0.685 123.606 122.820 0.168 0.000 1.877 304 A HA -0.183 4.185 4.320 0.080 0.000 0.216 304 A C 2.024 179.638 177.584 0.050 0.000 1.186 304 A CA 1.505 53.585 52.037 0.072 0.000 0.620 304 A CB -0.906 18.128 19.000 0.056 0.000 0.822 304 A HN 0.523 nan 8.150 nan 0.000 0.443 305 F N 1.427 121.375 119.950 -0.004 0.000 2.091 305 F HA -0.267 4.307 4.527 0.079 0.000 0.299 305 F C 1.786 177.541 175.800 -0.075 0.000 1.103 305 F CA 2.374 60.343 58.000 -0.051 0.000 1.228 305 F CB -0.206 38.783 39.000 -0.019 0.000 0.984 305 F HN 0.260 nan 8.300 nan 0.000 0.477 306 D N 0.522 120.990 120.400 0.112 0.000 2.144 306 D HA -0.176 4.512 4.640 0.080 0.000 0.199 306 D C 2.452 178.665 176.300 -0.145 0.000 0.984 306 D CA 1.424 55.419 54.000 -0.009 0.000 0.834 306 D CB -0.518 40.321 40.800 0.064 0.000 0.955 306 D HN 0.355 nan 8.370 nan 0.000 0.465 307 L N 0.220 121.368 121.223 -0.124 0.000 2.056 307 L HA -0.097 4.291 4.340 0.080 0.000 0.207 307 L C 2.457 179.217 176.870 -0.183 0.000 1.078 307 L CA 0.681 55.433 54.840 -0.147 0.000 0.749 307 L CB -0.273 41.726 42.059 -0.100 0.000 0.901 307 L HN 0.019 nan 8.230 nan 0.000 0.433 308 I N -0.126 120.318 120.570 -0.211 0.000 2.202 308 I HA -0.247 3.972 4.170 0.080 0.000 0.242 308 I C 2.416 178.359 176.117 -0.290 0.000 1.091 308 I CA 1.860 63.031 61.300 -0.215 0.000 1.368 308 I CB -0.474 37.323 38.000 -0.338 0.000 1.058 308 I HN 0.360 nan 8.210 nan 0.000 0.410 309 T N -2.379 111.882 114.554 -0.489 0.000 3.148 309 T HA 0.009 4.407 4.350 0.080 0.000 0.253 309 T C 1.542 176.119 174.700 -0.205 0.000 1.134 309 T CA 0.603 62.475 62.100 -0.380 0.000 1.051 309 T CB -0.441 68.093 68.868 -0.555 0.000 0.959 309 T HN 0.393 nan 8.240 nan 0.000 0.525 310 S N 0.561 116.066 115.700 -0.326 0.000 2.603 310 S HA 0.028 4.546 4.470 0.080 0.000 0.220 310 S C 1.026 175.368 174.600 -0.429 0.000 0.967 310 S CA -0.347 57.632 58.200 -0.368 0.000 0.920 310 S CB -0.611 62.325 63.200 -0.440 0.000 0.773 310 S HN 0.650 nan 8.310 nan 0.000 0.529 311 H N 1.024 120.071 119.070 -0.039 0.000 2.542 311 H HA 0.266 4.870 4.556 0.080 0.000 0.283 311 H C 1.138 176.464 175.328 -0.004 0.000 1.059 311 H CA 0.430 56.463 56.048 -0.024 0.000 1.162 311 H CB -0.449 29.290 29.762 -0.038 0.000 1.539 311 H HN 0.684 nan 8.280 nan 0.000 0.543 312 D N 0.562 121.009 120.400 0.078 0.000 2.983 312 D HA -0.189 4.499 4.640 0.080 0.000 0.225 312 D C 0.594 176.927 176.300 0.055 0.000 1.174 312 D CA 1.468 55.500 54.000 0.052 0.000 0.831 312 D CB -2.333 38.489 40.800 0.036 0.000 1.104 312 D HN 0.446 nan 8.370 nan 0.000 0.421 313 T N -4.236 110.373 114.554 0.092 0.000 2.903 313 T HA 0.733 5.131 4.350 0.080 0.000 0.299 313 T C 1.133 175.906 174.700 0.122 0.000 1.093 313 T CA 1.290 63.433 62.100 0.072 0.000 1.002 313 T CB 1.758 70.662 68.868 0.061 0.000 1.127 313 T HN 1.197 nan 8.240 nan 0.000 0.488 314 R N 2.047 122.576 120.500 0.048 0.000 2.334 314 R HA 0.371 4.760 4.340 0.080 0.000 0.212 314 R C 0.807 177.206 176.300 0.166 0.000 0.897 314 R CA 0.530 56.654 56.100 0.039 0.000 1.056 314 R CB -0.456 29.754 30.300 -0.150 0.000 1.046 314 R HN 0.639 nan 8.270 nan 0.000 0.513 315 K N 1.344 121.803 120.400 0.099 0.000 2.219 315 K HA 0.435 4.803 4.320 0.080 0.000 0.280 315 K C -1.144 175.488 176.600 0.054 0.000 1.104 315 K CA -0.282 56.045 56.287 0.066 0.000 0.925 315 K CB 1.501 34.016 32.500 0.025 0.000 1.261 315 K HN 0.075 nan 8.250 nan 0.000 0.445 316 V N 1.796 121.748 119.914 0.063 0.000 2.459 316 V HA 0.447 4.615 4.120 0.080 0.000 0.295 316 V C 0.467 176.553 176.094 -0.013 0.000 1.029 316 V CA -0.960 61.342 62.300 0.004 0.000 0.874 316 V CB 1.850 33.657 31.823 -0.027 0.000 0.985 316 V HN 0.837 nan 8.190 nan 0.000 0.438 317 G N 3.810 112.581 108.800 -0.048 0.000 2.370 317 G HA2 0.582 4.590 3.960 0.080 0.000 0.317 317 G HA3 0.582 4.590 3.960 0.080 0.000 0.317 317 G C -1.261 173.589 174.900 -0.083 0.000 1.162 317 G CA -0.451 44.616 45.100 -0.054 0.000 0.922 317 G HN 0.557 nan 8.290 nan 0.000 0.454 318 L N 3.706 124.899 121.223 -0.050 0.000 2.265 318 L HA 0.519 4.907 4.340 0.080 0.000 0.289 318 L C -0.349 176.484 176.870 -0.061 0.000 1.033 318 L CA -0.664 54.140 54.840 -0.060 0.000 0.814 318 L CB 0.980 43.031 42.059 -0.013 0.000 1.203 318 L HN 0.376 nan 8.230 nan 0.000 0.423 319 L N 6.680 127.785 121.223 -0.197 0.000 2.270 319 L HA 0.712 5.100 4.340 0.080 0.000 0.286 319 L C 0.536 177.371 176.870 -0.059 0.000 1.059 319 L CA -0.413 54.202 54.840 -0.375 0.000 0.839 319 L CB 0.267 41.610 42.059 -1.194 0.000 1.221 319 L HN 0.891 nan 8.230 nan 0.000 0.431 320 G N 2.348 111.310 108.800 0.270 0.000 2.911 320 G HA2 -0.052 3.956 3.960 0.080 0.000 0.686 320 G HA3 -0.052 3.956 3.960 0.080 0.000 0.686 320 G C -0.707 174.308 174.900 0.192 0.000 1.136 320 G CA -0.392 44.907 45.100 0.331 0.000 0.764 320 G HN 0.475 nan 8.290 nan 0.000 0.626 321 L N 1.550 122.877 121.223 0.172 0.000 2.753 321 L HA 0.470 4.858 4.340 0.080 0.000 0.238 321 L C 1.828 178.803 176.870 0.175 0.000 1.028 321 L CA 1.841 56.769 54.840 0.146 0.000 0.966 321 L CB -0.077 42.043 42.059 0.102 0.000 1.681 321 L HN 1.439 nan 8.230 nan 0.000 0.511 322 S N -0.243 115.560 115.700 0.172 0.000 2.596 322 S HA 0.058 4.576 4.470 0.080 0.000 0.260 322 S C 1.218 175.977 174.600 0.265 0.000 1.336 322 S CA 0.207 58.539 58.200 0.221 0.000 0.993 322 S CB -0.030 63.282 63.200 0.187 0.000 0.923 322 S HN 0.342 nan 8.310 nan 0.000 0.567 323 F N -0.342 119.682 119.950 0.123 0.000 2.407 323 F HA 0.418 4.990 4.527 0.076 0.000 0.299 323 F C 0.450 176.343 175.800 0.155 0.000 1.097 323 F CA 0.004 58.089 58.000 0.143 0.000 1.422 323 F CB -0.438 38.639 39.000 0.129 0.000 1.067 323 F HN 0.423 nan 8.300 nan 0.000 0.539 324 K N 0.182 120.278 120.400 -0.506 0.000 2.512 324 K HA 0.673 5.041 4.320 0.080 0.000 0.263 324 K C -0.795 175.702 176.600 -0.171 0.000 0.966 324 K CA -0.829 55.206 56.287 -0.420 0.000 0.851 324 K CB 2.148 34.220 32.500 -0.713 0.000 1.395 324 K HN 0.029 nan 8.250 nan 0.000 0.440 325 A N 0.277 123.047 122.820 -0.084 0.000 2.483 325 A HA 0.466 4.835 4.320 0.080 0.000 0.238 325 A C 1.105 178.643 177.584 -0.076 0.000 1.070 325 A CA 1.161 53.169 52.037 -0.049 0.000 0.770 325 A CB -0.613 18.362 19.000 -0.041 0.000 1.008 325 A HN 0.981 nan 8.150 nan 0.000 0.497 326 G N -0.026 108.739 108.800 -0.058 0.000 2.176 326 G HA2 -0.086 3.923 3.960 0.080 0.000 0.253 326 G HA3 -0.086 3.923 3.960 0.080 0.000 0.253 326 G C 0.428 175.305 174.900 -0.039 0.000 0.979 326 G CA 1.029 46.095 45.100 -0.058 0.000 0.641 326 G HN 1.956 nan 8.290 nan 0.000 0.530 327 T N -0.593 113.947 114.554 -0.023 0.000 2.896 327 T HA 0.527 4.925 4.350 0.080 0.000 0.297 327 T C 0.438 175.181 174.700 0.072 0.000 1.108 327 T CA 0.466 62.585 62.100 0.031 0.000 1.004 327 T CB 1.583 70.487 68.868 0.060 0.000 1.159 327 T HN 0.231 nan 8.240 nan 0.000 0.499 328 D N 1.286 121.749 120.400 0.105 0.000 2.349 328 D HA 0.058 4.747 4.640 0.080 0.000 0.214 328 D C 0.149 176.539 176.300 0.150 0.000 1.063 328 D CA -0.252 53.822 54.000 0.122 0.000 0.847 328 D CB 0.039 40.914 40.800 0.125 0.000 0.933 328 D HN 0.415 nan 8.370 nan 0.000 0.513 329 D N 0.992 121.510 120.400 0.197 0.000 2.412 329 D HA 0.018 4.706 4.640 0.080 0.000 0.257 329 D C 0.955 177.392 176.300 0.229 0.000 1.217 329 D CA -0.025 54.091 54.000 0.193 0.000 0.897 329 D CB 0.873 41.832 40.800 0.265 0.000 1.132 329 D HN 0.121 nan 8.370 nan 0.000 0.493 330 L N 3.335 124.622 121.223 0.107 0.000 2.585 330 L HA 0.191 4.579 4.340 0.080 0.000 0.226 330 L C 1.161 178.070 176.870 0.064 0.000 1.113 330 L CA -0.174 54.752 54.840 0.145 0.000 0.876 330 L CB 0.056 42.254 42.059 0.232 0.000 1.072 330 L HN 0.118 nan 8.230 nan 0.000 0.468 331 R N 1.744 122.197 120.500 -0.078 0.000 2.480 331 R HA -0.023 4.365 4.340 0.080 0.000 0.303 331 R C 0.112 176.353 176.300 -0.099 0.000 0.985 331 R CA 0.161 56.187 56.100 -0.124 0.000 1.051 331 R CB -0.123 30.061 30.300 -0.193 0.000 0.935 331 R HN 0.181 nan 8.270 nan 0.000 0.410 332 E N 0.279 120.467 120.200 -0.020 0.000 2.328 332 E HA -0.247 4.151 4.350 0.080 0.000 0.233 332 E C -0.624 175.990 176.600 0.024 0.000 1.219 332 E CA 0.622 57.019 56.400 -0.005 0.000 0.717 332 E CB -0.768 28.911 29.700 -0.035 0.000 1.210 332 E HN 0.507 nan 8.360 nan 0.000 0.381 333 S N 0.353 116.108 115.700 0.091 0.000 2.505 333 S HA 0.228 4.746 4.470 0.080 0.000 0.276 333 S C -1.311 173.384 174.600 0.157 0.000 1.274 333 S CA -1.496 56.814 58.200 0.183 0.000 1.053 333 S CB 0.983 64.322 63.200 0.232 0.000 0.919 333 S HN -0.061 nan 8.310 nan 0.000 0.490 334 P HA -0.009 nan 4.420 nan 0.000 0.222 334 P C 1.106 178.591 177.300 0.309 0.000 1.147 334 P CA 0.793 63.966 63.100 0.121 0.000 0.790 334 P CB 0.065 31.717 31.700 -0.080 0.000 0.780 335 L N -1.578 119.842 121.223 0.328 0.000 2.109 335 L HA -0.088 4.300 4.340 0.080 0.000 0.207 335 L C 2.334 179.312 176.870 0.181 0.000 1.086 335 L CA 0.966 55.968 54.840 0.270 0.000 0.760 335 L CB -1.010 41.185 42.059 0.227 0.000 0.910 335 L HN -0.148 nan 8.230 nan 0.000 0.437 336 V N 0.150 120.161 119.914 0.162 0.000 2.295 336 V HA -0.302 3.866 4.120 0.080 0.000 0.246 336 V C 2.504 178.665 176.094 0.112 0.000 1.049 336 V CA 2.038 64.408 62.300 0.117 0.000 1.024 336 V CB -0.429 31.466 31.823 0.120 0.000 0.648 336 V HN 0.501 nan 8.190 nan 0.000 0.447 337 E N -0.124 120.147 120.200 0.118 0.000 2.058 337 E HA -0.293 4.105 4.350 0.080 0.000 0.194 337 E C 2.188 178.857 176.600 0.116 0.000 0.997 337 E CA 1.816 58.273 56.400 0.096 0.000 0.801 337 E CB -0.188 29.549 29.700 0.062 0.000 0.746 337 E HN 0.419 nan 8.360 nan 0.000 0.450 338 L N 0.871 122.196 121.223 0.170 0.000 2.012 338 L HA -0.134 4.254 4.340 0.080 0.000 0.210 338 L C 2.306 179.267 176.870 0.151 0.000 1.073 338 L CA 2.297 57.253 54.840 0.194 0.000 0.748 338 L CB -0.888 41.310 42.059 0.231 0.000 0.891 338 L HN 0.210 nan 8.230 nan 0.000 0.431 339 A N -0.716 122.174 122.820 0.117 0.000 1.892 339 A HA -0.280 4.088 4.320 0.080 0.000 0.218 339 A C 2.167 179.817 177.584 0.110 0.000 1.188 339 A CA 2.116 54.208 52.037 0.091 0.000 0.631 339 A CB -0.750 18.286 19.000 0.060 0.000 0.822 339 A HN 0.645 nan 8.150 nan 0.000 0.447 340 E N -0.811 119.456 120.200 0.111 0.000 2.110 340 E HA -0.169 4.229 4.350 0.080 0.000 0.193 340 E C 2.104 178.779 176.600 0.124 0.000 0.988 340 E CA 1.353 57.834 56.400 0.134 0.000 0.804 340 E CB -0.276 29.507 29.700 0.138 0.000 0.745 340 E HN 0.693 nan 8.360 nan 0.000 0.458 341 M N 0.413 120.077 119.600 0.107 0.000 2.086 341 M HA -0.172 4.356 4.480 0.080 0.000 0.261 341 M C 2.314 178.771 176.300 0.262 0.000 1.067 341 M CA 1.384 56.728 55.300 0.074 0.000 1.116 341 M CB -0.266 32.299 32.600 -0.058 0.000 1.348 341 M HN 0.118 nan 8.290 nan 0.000 0.407 342 L N -0.008 121.391 121.223 0.293 0.000 2.017 342 L HA -0.219 4.169 4.340 0.080 0.000 0.208 342 L C 2.372 179.434 176.870 0.320 0.000 1.073 342 L CA 1.292 56.294 54.840 0.271 0.000 0.745 342 L CB -0.620 41.480 42.059 0.069 0.000 0.894 342 L HN 0.301 nan 8.230 nan 0.000 0.432 343 I N -0.146 120.557 120.570 0.221 0.000 2.226 343 I HA -0.222 3.996 4.170 0.080 0.000 0.245 343 I C 2.578 178.800 176.117 0.175 0.000 1.100 343 I CA 1.461 62.875 61.300 0.190 0.000 1.374 343 I CB -0.843 37.259 38.000 0.169 0.000 1.057 343 I HN 0.291 nan 8.210 nan 0.000 0.413 344 G N 0.551 109.450 108.800 0.165 0.000 2.448 344 G HA2 -0.176 3.832 3.960 0.080 0.000 0.219 344 G HA3 -0.176 3.832 3.960 0.080 0.000 0.219 344 G C 1.608 176.596 174.900 0.147 0.000 1.127 344 G CA 0.460 45.633 45.100 0.122 0.000 0.766 344 G HN 0.203 nan 8.290 nan 0.000 0.552 345 K N 0.135 120.687 120.400 0.253 0.000 2.387 345 K HA 0.192 4.560 4.320 0.080 0.000 0.198 345 K C 1.443 178.145 176.600 0.172 0.000 1.022 345 K CA 0.479 56.941 56.287 0.292 0.000 1.128 345 K CB 0.606 33.439 32.500 0.556 0.000 0.853 345 K HN 0.336 nan 8.250 nan 0.000 0.523 346 G N 1.328 110.209 108.800 0.136 0.000 2.132 346 G HA2 -0.282 3.726 3.960 0.080 0.000 0.234 346 G HA3 -0.282 3.726 3.960 0.080 0.000 0.234 346 G C -0.194 174.663 174.900 -0.073 0.000 0.989 346 G CA -0.157 44.947 45.100 0.007 0.000 0.676 346 G HN 0.232 nan 8.290 nan 0.000 0.522 347 Y N 0.438 120.768 120.300 0.050 0.000 2.379 347 Y HA 0.389 4.987 4.550 0.080 0.000 0.337 347 Y C 1.121 177.037 175.900 0.026 0.000 1.238 347 Y CA 0.183 58.300 58.100 0.029 0.000 1.405 347 Y CB 0.680 39.154 38.460 0.023 0.000 1.310 347 Y HN 0.239 nan 8.280 nan 0.000 0.569 348 E N 3.323 123.606 120.200 0.138 0.000 1.936 348 E HA 0.251 4.649 4.350 0.080 0.000 0.267 348 E C -1.623 175.037 176.600 0.100 0.000 1.076 348 E CA -0.584 55.867 56.400 0.086 0.000 0.870 348 E CB 0.119 29.845 29.700 0.043 0.000 1.093 348 E HN 0.422 nan 8.360 nan 0.000 0.411 349 L N 4.573 125.853 121.223 0.095 0.000 2.295 349 L HA 0.448 4.836 4.340 0.080 0.000 0.285 349 L C -0.765 176.135 176.870 0.049 0.000 1.035 349 L CA -0.242 54.642 54.840 0.073 0.000 0.806 349 L CB 1.156 43.263 42.059 0.080 0.000 1.214 349 L HN 0.432 nan 8.230 nan 0.000 0.426 350 R N 5.539 126.061 120.500 0.038 0.000 2.599 350 R HA 0.718 5.106 4.340 0.080 0.000 0.295 350 R C -1.279 175.048 176.300 0.044 0.000 0.963 350 R CA -0.679 55.445 56.100 0.039 0.000 0.883 350 R CB 1.956 32.276 30.300 0.034 0.000 1.171 350 R HN 0.587 nan 8.270 nan 0.000 0.450 351 I N 2.432 123.039 120.570 0.061 0.000 2.545 351 I HA 0.374 4.592 4.170 0.080 0.000 0.292 351 I C -1.082 175.118 176.117 0.139 0.000 1.040 351 I CA -0.835 60.512 61.300 0.077 0.000 1.068 351 I CB 1.896 39.925 38.000 0.048 0.000 1.251 351 I HN 0.452 nan 8.210 nan 0.000 0.424 352 F N 5.730 125.690 119.950 0.016 0.000 2.467 352 F HA 0.542 5.123 4.527 0.089 0.000 0.336 352 F C -0.837 175.037 175.800 0.124 0.000 1.123 352 F CA -0.166 57.871 58.000 0.062 0.000 0.964 352 F CB 1.065 40.099 39.000 0.056 0.000 1.136 352 F HN 0.376 nan 8.300 nan 0.000 0.447 353 D N 6.093 126.170 120.400 -0.538 0.000 2.452 353 D HA 0.141 4.829 4.640 0.080 0.000 0.226 353 D C 0.389 176.402 176.300 -0.478 0.000 1.366 353 D CA -0.365 53.439 54.000 -0.326 0.000 0.986 353 D CB 1.242 42.016 40.800 -0.043 0.000 1.420 353 D HN 0.828 nan 8.370 nan 0.000 0.583 354 R N 2.493 122.697 120.500 -0.494 0.000 2.148 354 R HA -0.002 4.386 4.340 0.080 0.000 0.223 354 R C 0.971 177.233 176.300 -0.062 0.000 1.088 354 R CA 0.597 56.532 56.100 -0.275 0.000 0.985 354 R CB -0.052 30.198 30.300 -0.084 0.000 0.880 354 R HN 0.173 nan 8.270 nan 0.000 0.451 355 N N 1.162 119.842 118.700 -0.033 0.000 2.135 355 N HA -0.084 4.704 4.740 0.080 0.000 0.186 355 N C 1.951 177.518 175.510 0.096 0.000 1.027 355 N CA 1.448 54.521 53.050 0.037 0.000 0.849 355 N CB -0.198 38.303 38.487 0.024 0.000 1.002 355 N HN 0.069 nan 8.380 nan 0.000 0.425 356 V N 1.618 121.563 119.914 0.051 0.000 2.427 356 V HA -0.170 3.998 4.120 0.080 0.000 0.248 356 V C 2.397 178.522 176.094 0.052 0.000 1.051 356 V CA 1.482 63.821 62.300 0.065 0.000 1.048 356 V CB -0.520 31.333 31.823 0.050 0.000 0.666 356 V HN 0.227 nan 8.190 nan 0.000 0.456 357 E N -0.306 119.899 120.200 0.007 0.000 2.077 357 E HA -0.263 4.135 4.350 0.080 0.000 0.193 357 E C 2.056 178.698 176.600 0.071 0.000 0.989 357 E CA 1.623 58.026 56.400 0.005 0.000 0.800 357 E CB -0.419 29.248 29.700 -0.055 0.000 0.746 357 E HN 0.674 nan 8.360 nan 0.000 0.452 358 Y N 0.209 120.516 120.300 0.013 0.000 2.145 358 Y HA -0.173 4.423 4.550 0.077 0.000 0.286 358 Y C 2.070 178.035 175.900 0.108 0.000 1.145 358 Y CA 1.814 59.966 58.100 0.088 0.000 1.148 358 Y CB -0.621 37.889 38.460 0.082 0.000 0.981 358 Y HN 0.131 nan 8.280 nan 0.000 0.507 359 A N 0.521 123.450 122.820 0.182 0.000 2.024 359 A HA -0.196 4.172 4.320 0.080 0.000 0.220 359 A C 2.249 179.837 177.584 0.007 0.000 1.164 359 A CA 1.566 53.665 52.037 0.103 0.000 0.643 359 A CB -0.595 18.485 19.000 0.133 0.000 0.806 359 A HN 0.522 nan 8.150 nan 0.000 0.451 360 R N -0.826 119.665 120.500 -0.015 0.000 2.189 360 R HA -0.058 4.330 4.340 0.080 0.000 0.223 360 R C 1.641 177.869 176.300 -0.120 0.000 1.092 360 R CA 1.494 57.567 56.100 -0.045 0.000 0.989 360 R CB -0.214 30.065 30.300 -0.035 0.000 0.876 360 R HN 0.494 nan 8.270 nan 0.000 0.457 361 V N -1.198 118.578 119.914 -0.230 0.000 2.788 361 V HA 0.007 4.175 4.120 0.080 0.000 0.241 361 V C 0.122 175.889 176.094 -0.545 0.000 1.083 361 V CA 0.829 62.874 62.300 -0.425 0.000 1.103 361 V CB -0.091 31.353 31.823 -0.631 0.000 0.800 361 V HN 0.225 nan 8.190 nan 0.000 0.476 362 H N -0.302 118.565 119.070 -0.338 0.000 2.505 362 H HA 0.711 5.312 4.556 0.075 0.000 0.338 362 H C 0.328 175.590 175.328 -0.109 0.000 1.057 362 H CA 0.320 56.209 56.048 -0.266 0.000 1.202 362 H CB 1.474 30.961 29.762 -0.459 0.000 1.466 362 H HN 0.473 nan 8.280 nan 0.000 0.499 363 G N 0.372 109.215 108.800 0.073 0.000 2.354 363 G HA2 0.242 4.250 3.960 0.080 0.000 0.582 363 G HA3 0.242 4.250 3.960 0.080 0.000 0.582 363 G C -0.317 174.611 174.900 0.048 0.000 1.316 363 G CA -0.320 44.826 45.100 0.077 0.000 0.995 363 G HN 0.742 nan 8.290 nan 0.000 0.573 364 A N -0.588 122.262 122.820 0.050 0.000 2.423 364 A HA 0.414 4.782 4.320 0.080 0.000 0.246 364 A C 1.134 178.745 177.584 0.044 0.000 1.278 364 A CA 0.740 52.800 52.037 0.039 0.000 0.903 364 A CB -0.176 18.844 19.000 0.033 0.000 0.997 364 A HN 0.487 nan 8.150 nan 0.000 0.510 365 N N -0.125 118.609 118.700 0.057 0.000 2.204 365 N HA 0.093 4.881 4.740 0.080 0.000 0.219 365 N C 0.884 176.459 175.510 0.109 0.000 1.151 365 N CA 0.069 53.167 53.050 0.081 0.000 0.867 365 N CB 0.407 38.939 38.487 0.074 0.000 1.043 365 N HN 0.467 nan 8.380 nan 0.000 0.516 366 K N 1.339 121.780 120.400 0.068 0.000 2.063 366 K HA -0.169 4.199 4.320 0.080 0.000 0.208 366 K C 2.145 178.781 176.600 0.062 0.000 1.048 366 K CA 1.849 58.165 56.287 0.049 0.000 0.928 366 K CB 0.037 32.544 32.500 0.013 0.000 0.713 366 K HN 0.347 nan 8.250 nan 0.000 0.442 367 E N 1.067 121.310 120.200 0.071 0.000 2.077 367 E HA -0.240 4.158 4.350 0.080 0.000 0.193 367 E C 1.709 178.365 176.600 0.093 0.000 0.989 367 E CA 1.583 58.023 56.400 0.067 0.000 0.800 367 E CB -1.100 28.639 29.700 0.066 0.000 0.746 367 E HN 0.461 nan 8.360 nan 0.000 0.452 368 Y N 0.740 121.051 120.300 0.018 0.000 2.070 368 Y HA -0.179 4.385 4.550 0.022 0.000 0.280 368 Y C 2.367 178.282 175.900 0.025 0.000 1.148 368 Y CA 2.273 60.388 58.100 0.024 0.000 1.125 368 Y CB -0.369 38.106 38.460 0.026 0.000 0.975 368 Y HN 0.218 nan 8.280 nan 0.000 0.492 369 I N 0.059 120.695 120.570 0.111 0.000 2.208 369 I HA -0.291 3.927 4.170 0.080 0.000 0.245 369 I C 1.974 178.062 176.117 -0.049 0.000 1.097 369 I CA 1.726 63.037 61.300 0.017 0.000 1.363 369 I CB -0.334 37.714 38.000 0.080 0.000 1.051 369 I HN 0.303 nan 8.210 nan 0.000 0.413 370 E N -0.657 119.529 120.200 -0.023 0.000 2.340 370 E HA -0.012 4.386 4.350 0.080 0.000 0.194 370 E C 2.012 178.595 176.600 -0.028 0.000 0.996 370 E CA 0.747 57.133 56.400 -0.023 0.000 0.869 370 E CB 0.342 30.037 29.700 -0.009 0.000 0.835 370 E HN 0.342 nan 8.360 nan 0.000 0.493 371 S N -0.358 115.317 115.700 -0.042 0.000 2.613 371 S HA 0.071 4.590 4.470 0.080 0.000 0.235 371 S C 1.950 176.512 174.600 -0.062 0.000 1.073 371 S CA 0.778 58.958 58.200 -0.034 0.000 0.899 371 S CB 0.265 63.458 63.200 -0.013 0.000 0.818 371 S HN 0.164 nan 8.310 nan 0.000 0.484 372 K N 1.697 122.006 120.400 -0.152 0.000 2.099 372 K HA 0.399 4.767 4.320 0.080 0.000 0.203 372 K C 1.425 177.908 176.600 -0.194 0.000 1.047 372 K CA 1.165 57.316 56.287 -0.226 0.000 0.963 372 K CB -1.030 31.198 32.500 -0.453 0.000 0.759 372 K HN 0.784 nan 8.250 nan 0.000 0.451 373 I N -2.767 117.628 120.570 -0.292 0.000 3.399 373 I HA 0.303 4.521 4.170 0.080 0.000 0.345 373 I C -1.987 174.044 176.117 -0.144 0.000 1.512 373 I CA -1.555 59.641 61.300 -0.173 0.000 1.047 373 I CB 1.333 39.142 38.000 -0.317 0.000 1.552 373 I HN -0.105 nan 8.210 nan 0.000 0.494 374 P HA -0.248 nan 4.420 nan 0.000 0.216 374 P C 1.486 178.813 177.300 0.045 0.000 1.150 374 P CA 1.937 65.051 63.100 0.023 0.000 0.843 374 P CB -0.373 31.359 31.700 0.053 0.000 0.787 375 H N -0.908 118.146 119.070 -0.027 0.000 2.387 375 H HA -0.035 4.568 4.556 0.078 0.000 0.299 375 H C 1.692 177.023 175.328 0.005 0.000 1.099 375 H CA 1.187 57.231 56.048 -0.007 0.000 1.315 375 H CB -1.615 28.146 29.762 -0.002 0.000 1.380 375 H HN 0.017 nan 8.280 nan 0.000 0.513 376 V N 1.563 121.160 119.914 -0.529 0.000 2.426 376 V HA -0.165 4.004 4.120 0.080 0.000 0.242 376 V C 2.950 178.961 176.094 -0.139 0.000 1.036 376 V CA 1.603 63.714 62.300 -0.315 0.000 1.044 376 V CB -0.487 31.105 31.823 -0.384 0.000 0.688 376 V HN 0.624 nan 8.190 nan 0.000 0.462 377 S N 1.419 117.042 115.700 -0.128 0.000 2.423 377 S HA -0.182 4.337 4.470 0.080 0.000 0.231 377 S C 2.069 176.651 174.600 -0.030 0.000 1.014 377 S CA 1.484 59.650 58.200 -0.058 0.000 0.965 377 S CB -0.725 62.446 63.200 -0.048 0.000 0.785 377 S HN 0.703 nan 8.310 nan 0.000 0.495 378 S N 1.789 117.474 115.700 -0.024 0.000 2.500 378 S HA 0.122 4.640 4.470 0.080 0.000 0.239 378 S C 1.516 176.119 174.600 0.006 0.000 0.989 378 S CA 0.630 58.829 58.200 -0.002 0.000 0.951 378 S CB -0.789 62.418 63.200 0.012 0.000 0.759 378 S HN 0.610 nan 8.310 nan 0.000 0.523 379 L N 0.466 121.689 121.223 0.001 0.000 2.607 379 L HA 0.333 4.721 4.340 0.080 0.000 0.228 379 L C -0.002 176.880 176.870 0.021 0.000 1.123 379 L CA -0.459 54.391 54.840 0.015 0.000 0.890 379 L CB -0.263 41.807 42.059 0.018 0.000 1.103 379 L HN 0.244 nan 8.230 nan 0.000 0.468 380 L N 1.136 122.365 121.223 0.011 0.000 2.490 380 L HA 0.093 4.482 4.340 0.080 0.000 0.274 380 L C -0.019 176.871 176.870 0.032 0.000 1.201 380 L CA 0.533 55.381 54.840 0.013 0.000 0.869 380 L CB 1.034 43.087 42.059 -0.010 0.000 1.123 380 L HN -0.239 nan 8.230 nan 0.000 0.484 381 V N 3.210 123.163 119.914 0.065 0.000 2.487 381 V HA 0.262 4.430 4.120 0.080 0.000 0.298 381 V C 0.849 177.031 176.094 0.148 0.000 1.028 381 V CA -0.097 62.262 62.300 0.098 0.000 0.860 381 V CB 1.671 33.562 31.823 0.114 0.000 0.991 381 V HN 0.933 nan 8.190 nan 0.000 0.427 382 S N 1.479 117.250 115.700 0.118 0.000 2.489 382 S HA -0.018 4.500 4.470 0.080 0.000 0.228 382 S C 0.571 175.344 174.600 0.288 0.000 0.995 382 S CA 0.523 58.802 58.200 0.132 0.000 0.934 382 S CB 0.021 63.271 63.200 0.083 0.000 0.771 382 S HN 0.788 nan 8.310 nan 0.000 0.522 383 D N 0.925 121.482 120.400 0.262 0.000 2.392 383 D HA 0.200 4.889 4.640 0.080 0.000 0.228 383 D C 0.792 177.182 176.300 0.149 0.000 1.074 383 D CA -0.515 53.611 54.000 0.210 0.000 0.838 383 D CB 1.544 42.406 40.800 0.103 0.000 1.067 383 D HN 0.132 nan 8.370 nan 0.000 0.511 384 L N 4.820 126.012 121.223 -0.051 0.000 2.042 384 L HA -0.156 4.232 4.340 0.080 0.000 0.210 384 L C 1.380 178.117 176.870 -0.221 0.000 1.076 384 L CA 1.943 56.489 54.840 -0.490 0.000 0.749 384 L CB -0.343 41.169 42.059 -0.912 0.000 0.893 384 L HN 0.383 nan 8.230 nan 0.000 0.432 385 D N -0.613 119.712 120.400 -0.125 0.000 2.149 385 D HA -0.223 4.465 4.640 0.080 0.000 0.198 385 D C 2.077 178.345 176.300 -0.053 0.000 0.990 385 D CA 1.370 55.321 54.000 -0.082 0.000 0.839 385 D CB 0.032 40.803 40.800 -0.047 0.000 0.948 385 D HN 0.497 nan 8.370 nan 0.000 0.460 386 E N 0.695 120.882 120.200 -0.022 0.000 2.072 386 E HA -0.095 4.304 4.350 0.080 0.000 0.190 386 E C 2.035 178.630 176.600 -0.007 0.000 0.982 386 E CA 0.575 56.974 56.400 -0.002 0.000 0.803 386 E CB -0.226 29.490 29.700 0.027 0.000 0.755 386 E HN 0.028 nan 8.360 nan 0.000 0.453 387 V N 0.055 119.965 119.914 -0.006 0.000 2.287 387 V HA -0.255 3.913 4.120 0.080 0.000 0.248 387 V C 2.447 178.508 176.094 -0.056 0.000 1.053 387 V CA 1.671 63.963 62.300 -0.013 0.000 1.027 387 V CB -0.559 31.266 31.823 0.004 0.000 0.646 387 V HN 0.187 nan 8.190 nan 0.000 0.447 388 V N 0.291 120.150 119.914 -0.091 0.000 2.295 388 V HA -0.258 3.910 4.120 0.080 0.000 0.246 388 V C 2.726 178.779 176.094 -0.069 0.000 1.049 388 V CA 2.095 64.335 62.300 -0.101 0.000 1.024 388 V CB -1.183 30.567 31.823 -0.121 0.000 0.648 388 V HN 0.560 nan 8.190 nan 0.000 0.447 389 A N -0.623 122.165 122.820 -0.053 0.000 1.902 389 A HA -0.190 4.178 4.320 0.080 0.000 0.217 389 A C 2.350 179.916 177.584 -0.030 0.000 1.181 389 A CA 2.322 54.336 52.037 -0.038 0.000 0.623 389 A CB -0.532 18.451 19.000 -0.028 0.000 0.818 389 A HN 0.512 nan 8.150 nan 0.000 0.443 390 S N -0.359 115.327 115.700 -0.024 0.000 2.548 390 S HA 0.182 4.700 4.470 0.080 0.000 0.215 390 S C 0.577 175.168 174.600 -0.016 0.000 0.976 390 S CA 0.050 58.242 58.200 -0.014 0.000 0.908 390 S CB 0.043 63.241 63.200 -0.004 0.000 0.781 390 S HN 0.466 nan 8.310 nan 0.000 0.519 391 S N 1.442 117.125 115.700 -0.028 0.000 2.608 391 S HA 0.352 4.870 4.470 0.080 0.000 0.291 391 S C 0.142 174.717 174.600 -0.042 0.000 1.146 391 S CA -0.761 57.421 58.200 -0.030 0.000 1.043 391 S CB 1.245 64.419 63.200 -0.044 0.000 1.037 391 S HN 0.147 nan 8.310 nan 0.000 0.520 392 D N 0.387 120.764 120.400 -0.038 0.000 2.394 392 D HA 0.134 4.822 4.640 0.080 0.000 0.226 392 D C 0.002 176.248 176.300 -0.089 0.000 0.990 392 D CA 0.771 54.739 54.000 -0.053 0.000 0.902 392 D CB 0.328 41.109 40.800 -0.031 0.000 1.038 392 D HN 0.226 nan 8.370 nan 0.000 0.499 393 V N 2.166 122.030 119.914 -0.085 0.000 2.409 393 V HA 0.350 4.518 4.120 0.080 0.000 0.291 393 V C -0.267 175.756 176.094 -0.119 0.000 1.020 393 V CA -0.605 61.620 62.300 -0.126 0.000 0.848 393 V CB 2.040 33.803 31.823 -0.100 0.000 0.990 393 V HN -0.043 nan 8.190 nan 0.000 0.430 394 L N 5.526 126.663 121.223 -0.143 0.000 2.313 394 L HA 0.615 5.003 4.340 0.080 0.000 0.283 394 L C -0.586 176.183 176.870 -0.169 0.000 1.013 394 L CA -0.727 54.017 54.840 -0.160 0.000 0.816 394 L CB 2.014 43.965 42.059 -0.179 0.000 1.236 394 L HN 0.352 nan 8.230 nan 0.000 0.419 395 V N 5.086 124.894 119.914 -0.178 0.000 2.347 395 V HA 0.302 4.470 4.120 0.080 0.000 0.280 395 V C 0.196 176.171 176.094 -0.198 0.000 1.021 395 V CA -0.466 61.732 62.300 -0.170 0.000 0.847 395 V CB 1.496 33.223 31.823 -0.159 0.000 0.990 395 V HN 0.517 nan 8.190 nan 0.000 0.444 396 L N 4.813 125.953 121.223 -0.139 0.000 2.312 396 L HA 0.390 4.778 4.340 0.080 0.000 0.287 396 L C 1.462 178.373 176.870 0.069 0.000 1.091 396 L CA 0.149 54.949 54.840 -0.066 0.000 0.846 396 L CB 0.573 42.696 42.059 0.107 0.000 1.219 396 L HN 0.801 nan 8.230 nan 0.000 0.439 397 G N 2.791 111.634 108.800 0.070 0.000 2.608 397 G HA2 -0.025 3.983 3.960 0.080 0.000 0.210 397 G HA3 -0.025 3.983 3.960 0.080 0.000 0.210 397 G C 0.406 175.442 174.900 0.227 0.000 1.139 397 G CA 0.157 45.306 45.100 0.081 0.000 0.812 397 G HN 0.653 nan 8.290 nan 0.000 0.529 398 N N -1.893 117.033 118.700 0.376 0.000 2.774 398 N HA 0.433 5.221 4.740 0.080 0.000 0.264 398 N C 0.333 176.091 175.510 0.413 0.000 1.415 398 N CA -0.226 53.019 53.050 0.325 0.000 0.815 398 N CB 0.696 39.317 38.487 0.224 0.000 1.514 398 N HN -0.059 nan 8.380 nan 0.000 0.523 399 G N -0.791 108.123 108.800 0.190 0.000 3.452 399 G HA2 0.031 4.040 3.960 0.080 0.000 0.258 399 G HA3 0.031 4.040 3.960 0.080 0.000 0.258 399 G C -0.479 174.473 174.900 0.088 0.000 1.305 399 G CA -0.206 44.959 45.100 0.108 0.000 1.514 399 G HN 0.631 nan 8.290 nan 0.000 0.593 400 D N 0.462 120.851 120.400 -0.018 0.000 2.348 400 D HA 0.310 4.999 4.640 0.080 0.000 0.253 400 D C 1.520 177.648 176.300 -0.286 0.000 1.161 400 D CA 0.326 54.103 54.000 -0.372 0.000 0.876 400 D CB 1.096 41.317 40.800 -0.965 0.000 1.160 400 D HN 0.332 nan 8.370 nan 0.000 0.459 401 E N 3.953 124.078 120.200 -0.126 0.000 2.267 401 E HA -0.138 4.260 4.350 0.080 0.000 0.197 401 E C 2.109 178.655 176.600 -0.091 0.000 0.998 401 E CA 0.780 57.166 56.400 -0.023 0.000 0.830 401 E CB -0.626 29.060 29.700 -0.022 0.000 0.751 401 E HN 0.690 nan 8.360 nan 0.000 0.491 402 L N -0.792 120.291 121.223 -0.234 0.000 2.353 402 L HA -0.042 4.346 4.340 0.080 0.000 0.220 402 L C 1.766 178.597 176.870 -0.064 0.000 1.133 402 L CA 0.695 55.439 54.840 -0.160 0.000 0.798 402 L CB -0.210 41.764 42.059 -0.142 0.000 0.922 402 L HN 0.321 nan 8.230 nan 0.000 0.445 403 F N -1.796 118.040 119.950 -0.190 0.000 2.789 403 F HA 0.018 4.592 4.527 0.077 0.000 0.300 403 F C 2.132 177.642 175.800 -0.483 0.000 1.132 403 F CA -0.206 57.530 58.000 -0.439 0.000 1.404 403 F CB -1.325 37.221 39.000 -0.757 0.000 1.114 403 F HN -0.194 nan 8.300 nan 0.000 0.584 404 V N 0.396 120.257 119.914 -0.088 0.000 2.287 404 V HA -0.326 3.842 4.120 0.080 0.000 0.248 404 V C 2.300 178.382 176.094 -0.019 0.000 1.053 404 V CA 2.338 64.647 62.300 0.015 0.000 1.027 404 V CB -0.603 31.284 31.823 0.106 0.000 0.646 404 V HN 0.215 nan 8.190 nan 0.000 0.447 405 D N -0.074 120.311 120.400 -0.027 0.000 2.104 405 D HA -0.216 4.472 4.640 0.080 0.000 0.194 405 D C 1.969 178.240 176.300 -0.048 0.000 0.994 405 D CA 1.504 55.486 54.000 -0.030 0.000 0.830 405 D CB -0.215 40.565 40.800 -0.032 0.000 0.959 405 D HN 0.292 nan 8.370 nan 0.000 0.452 406 L N -0.128 121.049 121.223 -0.077 0.000 2.079 406 L HA -0.114 4.274 4.340 0.080 0.000 0.210 406 L C 2.094 178.911 176.870 -0.087 0.000 1.081 406 L CA 1.444 56.224 54.840 -0.099 0.000 0.752 406 L CB -0.418 41.550 42.059 -0.152 0.000 0.896 406 L HN 0.071 nan 8.230 nan 0.000 0.433 407 V N -0.176 119.687 119.914 -0.086 0.000 2.488 407 V HA -0.151 4.018 4.120 0.080 0.000 0.246 407 V C 2.294 178.385 176.094 -0.005 0.000 1.046 407 V CA 1.506 63.783 62.300 -0.039 0.000 1.053 407 V CB -0.878 30.944 31.823 -0.003 0.000 0.679 407 V HN 0.465 nan 8.190 nan 0.000 0.458 408 N N 1.319 120.017 118.700 -0.003 0.000 2.142 408 N HA -0.079 4.709 4.740 0.080 0.000 0.186 408 N C 0.818 176.326 175.510 -0.002 0.000 1.023 408 N CA 1.099 54.152 53.050 0.005 0.000 0.852 408 N CB -0.094 38.396 38.487 0.005 0.000 0.998 408 N HN 0.635 nan 8.380 nan 0.000 0.424 409 K N 0.042 120.433 120.400 -0.015 0.000 2.701 409 K HA 0.334 4.702 4.320 0.080 0.000 0.212 409 K C -1.119 175.462 176.600 -0.031 0.000 1.035 409 K CA -0.413 55.863 56.287 -0.018 0.000 1.048 409 K CB 0.609 33.099 32.500 -0.017 0.000 1.234 409 K HN -0.278 nan 8.250 nan 0.000 0.540 410 T N 3.590 118.126 114.554 -0.031 0.000 2.832 410 T HA 0.229 4.627 4.350 0.080 0.000 0.296 410 T C -2.035 172.640 174.700 -0.041 0.000 0.968 410 T CA -0.942 61.132 62.100 -0.045 0.000 1.107 410 T CB 0.559 69.401 68.868 -0.044 0.000 0.916 410 T HN 0.356 nan 8.240 nan 0.000 0.517 411 P HA 0.159 nan 4.420 nan 0.000 0.270 411 P C -0.062 177.213 177.300 -0.040 0.000 1.223 411 P CA -0.509 62.566 63.100 -0.042 0.000 0.785 411 P CB 0.317 31.989 31.700 -0.047 0.000 0.923 412 S N -0.063 115.617 115.700 -0.033 0.000 2.593 412 S HA 0.417 4.935 4.470 0.080 0.000 0.269 412 S C 1.157 175.735 174.600 -0.037 0.000 1.334 412 S CA 0.076 58.258 58.200 -0.031 0.000 1.015 412 S CB 0.099 63.285 63.200 -0.024 0.000 0.912 412 S HN 1.036 nan 8.310 nan 0.000 0.541 413 G N 0.470 109.247 108.800 -0.038 0.000 2.143 413 G HA2 -0.230 3.778 3.960 0.080 0.000 0.248 413 G HA3 -0.230 3.778 3.960 0.080 0.000 0.248 413 G C -0.282 174.583 174.900 -0.057 0.000 0.991 413 G CA 0.452 45.527 45.100 -0.042 0.000 0.689 413 G HN 0.826 nan 8.290 nan 0.000 0.522 414 K N -0.140 120.219 120.400 -0.069 0.000 2.318 414 K HA 0.652 5.020 4.320 0.080 0.000 0.249 414 K C -0.271 176.258 176.600 -0.119 0.000 0.942 414 K CA -0.893 55.339 56.287 -0.092 0.000 0.808 414 K CB 1.469 33.916 32.500 -0.087 0.000 1.189 414 K HN -0.015 nan 8.250 nan 0.000 0.428 415 K N 2.833 123.131 120.400 -0.171 0.000 2.244 415 K HA 0.448 4.816 4.320 0.080 0.000 0.260 415 K C -0.712 175.765 176.600 -0.205 0.000 0.951 415 K CA -0.529 55.615 56.287 -0.239 0.000 0.826 415 K CB 1.391 33.604 32.500 -0.477 0.000 1.108 415 K HN 0.474 nan 8.250 nan 0.000 0.433 416 L N 1.962 123.096 121.223 -0.149 0.000 2.322 416 L HA 0.520 4.908 4.340 0.080 0.000 0.279 416 L C -0.236 176.580 176.870 -0.091 0.000 1.036 416 L CA -1.289 53.484 54.840 -0.112 0.000 0.807 416 L CB 1.691 43.712 42.059 -0.064 0.000 1.226 416 L HN 0.128 nan 8.230 nan 0.000 0.433 417 V N 1.197 121.058 119.914 -0.089 0.000 2.349 417 V HA 0.209 4.377 4.120 0.080 0.000 0.284 417 V C -0.744 175.315 176.094 -0.060 0.000 1.014 417 V CA -0.492 61.760 62.300 -0.080 0.000 0.826 417 V CB 1.584 33.349 31.823 -0.095 0.000 1.009 417 V HN 0.626 nan 8.190 nan 0.000 0.431 418 D N 4.475 124.871 120.400 -0.007 0.000 2.396 418 D HA 0.366 5.054 4.640 0.080 0.000 0.225 418 D C 0.639 176.989 176.300 0.084 0.000 1.121 418 D CA -0.164 53.927 54.000 0.151 0.000 0.853 418 D CB 1.421 42.448 40.800 0.378 0.000 1.043 418 D HN 0.439 nan 8.370 nan 0.000 0.500 419 L N 3.281 124.553 121.223 0.081 0.000 2.607 419 L HA 0.123 4.511 4.340 0.080 0.000 0.228 419 L C 1.646 178.670 176.870 0.258 0.000 1.123 419 L CA -0.080 54.770 54.840 0.016 0.000 0.890 419 L CB 0.477 42.368 42.059 -0.280 0.000 1.103 419 L HN 0.347 nan 8.230 nan 0.000 0.468 420 V N -1.355 118.781 119.914 0.371 0.000 3.250 420 V HA 0.464 4.632 4.120 0.080 0.000 0.240 420 V C 1.090 177.236 176.094 0.087 0.000 1.275 420 V CA 0.925 63.361 62.300 0.226 0.000 1.206 420 V CB 1.004 32.886 31.823 0.099 0.000 0.976 420 V HN 0.406 nan 8.190 nan 0.000 0.467 421 G N -0.192 108.693 108.800 0.140 0.000 2.157 421 G HA2 -0.193 3.816 3.960 0.080 0.000 0.118 421 G HA3 -0.193 3.816 3.960 0.080 0.000 0.118 421 G C 0.158 174.892 174.900 -0.278 0.000 1.032 421 G CA 0.182 45.068 45.100 -0.357 0.000 0.697 421 G HN 0.408 nan 8.290 nan 0.000 0.495 422 F N 0.799 120.758 119.950 0.014 0.000 2.234 422 F HA 0.300 4.874 4.527 0.078 0.000 0.299 422 F C 2.247 178.023 175.800 -0.040 0.000 1.087 422 F CA 0.953 58.953 58.000 -0.000 0.000 1.340 422 F CB -0.099 38.943 39.000 0.070 0.000 1.031 422 F HN 0.196 nan 8.300 nan 0.000 0.500 423 M N 1.335 121.041 119.600 0.177 0.000 2.260 423 M HA -0.013 4.515 4.480 0.080 0.000 0.348 423 M C -1.266 174.977 176.300 -0.095 0.000 1.342 423 M CA -1.031 54.328 55.300 0.097 0.000 1.040 423 M CB 0.191 32.939 32.600 0.245 0.000 1.810 423 M HN -0.178 nan 8.290 nan 0.000 0.453 424 P HA -0.058 nan 4.420 nan 0.000 0.221 424 P C -0.134 176.767 177.300 -0.665 0.000 1.150 424 P CA 1.431 64.309 63.100 -0.369 0.000 0.800 424 P CB 0.260 31.777 31.700 -0.305 0.000 0.787 425 H N -2.575 116.496 119.070 0.001 0.000 3.766 425 H HA 0.319 4.923 4.556 0.081 0.000 0.346 425 H C 0.362 175.751 175.328 0.101 0.000 1.689 425 H CA -0.231 55.830 56.048 0.021 0.000 1.205 425 H CB 0.179 29.959 29.762 0.030 0.000 1.575 425 H HN -0.170 nan 8.280 nan 0.000 0.704 426 T N -1.012 113.713 114.554 0.285 0.000 2.824 426 T HA 0.188 4.586 4.350 0.080 0.000 0.277 426 T C 0.347 175.192 174.700 0.242 0.000 0.975 426 T CA -0.674 61.600 62.100 0.290 0.000 0.966 426 T CB 0.164 69.155 68.868 0.205 0.000 1.054 426 T HN 0.371 nan 8.240 nan 0.000 0.533 427 T N 2.452 117.125 114.554 0.198 0.000 2.923 427 T HA 0.356 4.754 4.350 0.080 0.000 0.304 427 T C 0.762 175.514 174.700 0.086 0.000 1.044 427 T CA 0.337 62.504 62.100 0.111 0.000 1.141 427 T CB -0.252 68.642 68.868 0.043 0.000 1.023 427 T HN 0.985 nan 8.240 nan 0.000 0.533 428 T N -0.571 114.025 114.554 0.070 0.000 2.858 428 T HA 0.700 5.098 4.350 0.080 0.000 0.285 428 T C 1.540 176.260 174.700 0.034 0.000 1.052 428 T CA -0.422 61.707 62.100 0.050 0.000 1.009 428 T CB 1.262 70.161 68.868 0.051 0.000 1.241 428 T HN 0.376 nan 8.240 nan 0.000 0.542 429 A N 0.429 123.264 122.820 0.024 0.000 2.019 429 A HA -0.064 4.304 4.320 0.080 0.000 0.219 429 A C 2.224 179.808 177.584 0.001 0.000 1.164 429 A CA 1.634 53.682 52.037 0.017 0.000 0.644 429 A CB -0.780 18.227 19.000 0.012 0.000 0.805 429 A HN 0.835 nan 8.150 nan 0.000 0.449 430 Q N -1.564 118.232 119.800 -0.006 0.000 2.378 430 Q HA 0.481 4.869 4.340 0.080 0.000 0.216 430 Q C 0.337 176.311 176.000 -0.043 0.000 0.892 430 Q CA 0.866 56.648 55.803 -0.035 0.000 0.931 430 Q CB 0.164 28.886 28.738 -0.026 0.000 1.086 430 Q HN 0.568 nan 8.270 nan 0.000 0.528 431 A N 1.857 124.673 122.820 -0.005 0.000 2.408 431 A HA 0.522 4.890 4.320 0.080 0.000 0.295 431 A C -1.251 176.353 177.584 0.034 0.000 1.040 431 A CA -0.721 51.322 52.037 0.010 0.000 0.707 431 A CB 1.270 20.298 19.000 0.046 0.000 1.235 431 A HN 0.270 nan 8.150 nan 0.000 0.418 432 E N 2.151 122.355 120.200 0.006 0.000 2.248 432 E HA 0.683 5.081 4.350 0.080 0.000 0.267 432 E C 0.014 176.526 176.600 -0.147 0.000 0.877 432 E CA -0.830 55.548 56.400 -0.035 0.000 0.759 432 E CB 2.084 31.769 29.700 -0.025 0.000 1.182 432 E HN 0.713 nan 8.360 nan 0.000 0.418 433 G N 1.789 110.358 108.800 -0.386 0.000 2.437 433 G HA2 0.308 4.316 3.960 0.080 0.000 0.319 433 G HA3 0.308 4.316 3.960 0.080 0.000 0.319 433 G C 0.243 174.541 174.900 -1.002 0.000 1.158 433 G CA -0.883 43.559 45.100 -1.097 0.000 0.899 433 G HN 0.755 nan 8.290 nan 0.000 0.502 434 I N -0.503 119.410 120.570 -1.094 0.000 2.546 434 I HA -0.004 4.214 4.170 0.080 0.000 0.255 434 I C 0.926 176.731 176.117 -0.520 0.000 1.163 434 I CA 0.798 61.744 61.300 -0.589 0.000 1.457 434 I CB 0.315 38.121 38.000 -0.322 0.000 1.092 434 I HN 0.348 nan 8.210 nan 0.000 0.434 435 C N 0.566 119.374 119.300 -0.819 0.000 3.226 435 C HA 0.359 4.867 4.460 0.080 0.000 0.258 435 C C -0.589 174.520 174.990 0.197 0.000 1.688 435 C CA -0.810 58.125 59.018 -0.137 0.000 1.774 435 C CB -1.755 26.105 27.740 0.201 0.000 3.167 435 C HN 0.687 nan 8.230 nan 0.000 0.509 436 W N 0.000 121.316 121.300 0.027 0.000 2.388 436 W HA 0.000 4.707 4.660 0.079 0.000 0.303 436 W CA 0.000 57.361 57.345 0.027 0.000 1.226 436 W CB 0.000 29.475 29.460 0.025 0.000 1.126 436 W HN 0.000 nan 8.180 nan 0.000 0.535