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 3gg4_1_B DATA FIRST_RESID 1 DATA SEQUENCE LASYFIGVDV GTGSARAGVF DLQGRXVGQA SREITXFKPK ADFVEQSSEN DATA SEQUENCE IWQAVCNAVR DAVNQADINP IQVKGLGFDA TCSLVVLDKE GNPLTVSPSG DATA SEQUENCE RNEQNVIVWX DHRAITQAER INATKHPVLE FVGGVISPEX QTPKLLWLKQ DATA SEQUENCE HXPNTWSNVG HLFDLPDFLT WRATKDETRS LCSTVCKWTY LGHEDRWDPS DATA SEQUENCE YFKLVGLADL LDNNAAKIGA TVKPXGAPLG HGLSQRAASE XGLIPGTAVS DATA SEQUENCE VSIIDAHAGT IGILGASXXX XXXXXXDRRI ALIGGTSTAH XAXSRSAHFI DATA SEQUENCE SGIWGPYYSA ILPEYWLNEG GQSATGALID HIIQSHPCYP ALLEQAKNKG DATA SEQUENCE ETIYEALNYI LRQXAGEPEN IAFLTNDIHX LPYFHGNRSP RANPNLTGII DATA SEQUENCE TGLKLSTTPE DXALRYLATI QALALGTRHI IETXNQNGYN IDTXXASGGG DATA SEQUENCE TKNPIFVQEH ANATGCAXLL PEESEAXLLG SAXXGTVAAG VFESLPEAXA DATA SEQUENCE AXSRIGKTVT PQTNKIKAYY DRKYRVFHQX YHDHXRYQAL XQ 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.864 176.870 -0.010 0.000 1.165 1 L CA 0.000 54.841 54.840 0.002 0.000 0.813 1 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 2 A N 0.273 123.097 122.820 0.007 0.000 2.366 2 A HA 0.712 5.119 4.320 0.145 0.000 0.272 2 A C 0.333 177.848 177.584 -0.115 0.000 1.135 2 A CA 0.185 52.180 52.037 -0.069 0.000 0.804 2 A CB 0.256 19.209 19.000 -0.077 0.000 1.064 2 A HN 0.295 nan 8.150 nan 0.000 0.499 3 S N 1.095 116.667 115.700 -0.212 0.000 2.562 3 S HA 0.596 5.153 4.470 0.145 0.000 0.275 3 S C -0.873 173.447 174.600 -0.467 0.000 1.281 3 S CA 0.015 58.061 58.200 -0.257 0.000 1.045 3 S CB 0.349 63.416 63.200 -0.222 0.000 0.962 3 S HN 0.539 nan 8.310 nan 0.000 0.503 4 Y N 0.194 120.280 120.300 -0.357 0.000 2.602 4 Y HA 0.695 5.332 4.550 0.145 0.000 0.342 4 Y C -0.643 174.919 175.900 -0.564 0.000 1.029 4 Y CA -1.163 56.809 58.100 -0.214 0.000 1.080 4 Y CB 1.338 39.744 38.460 -0.089 0.000 1.284 4 Y HN 0.582 nan 8.280 nan 0.000 0.485 5 F N 1.277 121.373 119.950 0.244 0.000 2.591 5 F HA 0.623 5.238 4.527 0.146 0.000 0.309 5 F C -0.830 175.091 175.800 0.202 0.000 1.098 5 F CA -0.859 57.241 58.000 0.166 0.000 0.937 5 F CB 1.614 40.689 39.000 0.125 0.000 1.250 5 F HN 0.078 nan 8.300 nan 0.000 0.447 6 I N 1.628 122.353 120.570 0.259 0.000 2.441 6 I HA 0.645 4.902 4.170 0.145 0.000 0.295 6 I C 0.131 176.300 176.117 0.086 0.000 0.994 6 I CA -0.656 60.734 61.300 0.150 0.000 1.144 6 I CB 1.908 39.907 38.000 -0.001 0.000 1.314 6 I HN 0.736 nan 8.210 nan 0.000 0.445 7 G N 5.005 113.887 108.800 0.138 0.000 2.461 7 G HA2 0.623 4.670 3.960 0.145 0.000 0.323 7 G HA3 0.623 4.670 3.960 0.145 0.000 0.323 7 G C -1.183 173.689 174.900 -0.047 0.000 1.229 7 G CA -0.364 44.748 45.100 0.020 0.000 0.941 7 G HN 0.327 nan 8.290 nan 0.000 0.477 8 V N 1.888 121.697 119.914 -0.175 0.000 2.495 8 V HA 0.462 4.669 4.120 0.145 0.000 0.298 8 V C -0.996 175.117 176.094 0.031 0.000 1.031 8 V CA -0.572 61.669 62.300 -0.098 0.000 0.871 8 V CB 1.944 33.656 31.823 -0.185 0.000 0.988 8 V HN 0.853 nan 8.190 nan 0.000 0.432 9 D N 3.807 124.247 120.400 0.067 0.000 2.469 9 D HA 0.400 5.127 4.640 0.145 0.000 0.251 9 D C -0.935 175.429 176.300 0.106 0.000 1.173 9 D CA -0.264 53.788 54.000 0.087 0.000 0.882 9 D CB 1.823 42.661 40.800 0.063 0.000 1.129 9 D HN 0.237 nan 8.370 nan 0.000 0.549 10 V N 4.412 124.412 119.914 0.144 0.000 2.320 10 V HA 0.640 4.847 4.120 0.145 0.000 0.265 10 V C 1.340 177.515 176.094 0.135 0.000 1.048 10 V CA -0.256 62.136 62.300 0.153 0.000 0.865 10 V CB 0.719 32.666 31.823 0.208 0.000 1.043 10 V HN 0.630 nan 8.190 nan 0.000 0.474 11 G N 3.274 112.142 108.800 0.114 0.000 2.510 11 G HA2 0.295 4.342 3.960 0.145 0.000 0.280 11 G HA3 0.295 4.342 3.960 0.145 0.000 0.280 11 G C 0.987 175.986 174.900 0.164 0.000 1.386 11 G CA 0.252 45.420 45.100 0.113 0.000 1.047 11 G HN 0.498 nan 8.290 nan 0.000 0.527 12 T N -0.303 114.374 114.554 0.206 0.000 2.857 12 T HA 0.012 4.450 4.350 0.145 0.000 0.266 12 T C 2.232 177.022 174.700 0.150 0.000 1.048 12 T CA 1.651 63.913 62.100 0.271 0.000 1.139 12 T CB -0.215 68.884 68.868 0.386 0.000 0.874 12 T HN 0.546 nan 8.240 nan 0.000 0.455 13 G N 0.001 108.868 108.800 0.111 0.000 2.762 13 G HA2 0.335 4.383 3.960 0.145 0.000 0.209 13 G HA3 0.335 4.383 3.960 0.145 0.000 0.209 13 G C 0.303 175.234 174.900 0.051 0.000 1.134 13 G CA -0.118 45.021 45.100 0.064 0.000 0.781 13 G HN 0.434 nan 8.290 nan 0.000 0.528 14 S N -1.153 114.585 115.700 0.064 0.000 2.550 14 S HA 0.675 5.232 4.470 0.145 0.000 0.270 14 S C -0.698 173.943 174.600 0.068 0.000 1.145 14 S CA -0.422 57.810 58.200 0.053 0.000 0.852 14 S CB 1.943 65.166 63.200 0.037 0.000 1.119 14 S HN 0.545 nan 8.310 nan 0.000 0.465 15 A N 2.067 124.924 122.820 0.062 0.000 2.301 15 A HA 0.785 5.192 4.320 0.145 0.000 0.298 15 A C -0.169 177.438 177.584 0.039 0.000 1.185 15 A CA -0.509 51.569 52.037 0.067 0.000 0.830 15 A CB 0.302 19.343 19.000 0.068 0.000 1.112 15 A HN 0.730 nan 8.150 nan 0.000 0.508 16 R N 0.847 121.372 120.500 0.042 0.000 2.686 16 R HA 0.735 5.162 4.340 0.145 0.000 0.286 16 R C -0.765 175.542 176.300 0.012 0.000 0.969 16 R CA -0.410 55.702 56.100 0.022 0.000 0.898 16 R CB 2.455 32.772 30.300 0.029 0.000 1.183 16 R HN 0.845 nan 8.270 nan 0.000 0.456 17 A N 0.946 123.758 122.820 -0.012 0.000 2.414 17 A HA 0.866 5.273 4.320 0.145 0.000 0.306 17 A C -0.848 176.712 177.584 -0.039 0.000 1.054 17 A CA -0.767 51.254 52.037 -0.027 0.000 0.724 17 A CB 2.062 21.026 19.000 -0.060 0.000 1.267 17 A HN 0.761 nan 8.150 nan 0.000 0.418 18 G N -0.035 108.754 108.800 -0.018 0.000 2.682 18 G HA2 0.579 4.626 3.960 0.145 0.000 0.300 18 G HA3 0.579 4.626 3.960 0.145 0.000 0.300 18 G C -1.429 173.351 174.900 -0.200 0.000 1.391 18 G CA -0.454 44.552 45.100 -0.157 0.000 0.990 18 G HN 0.932 nan 8.290 nan 0.000 0.501 19 V N 1.362 121.054 119.914 -0.370 0.000 2.435 19 V HA 0.660 4.867 4.120 0.145 0.000 0.290 19 V C -0.776 175.099 176.094 -0.365 0.000 1.030 19 V CA -0.479 61.706 62.300 -0.192 0.000 0.881 19 V CB 0.929 32.674 31.823 -0.129 0.000 0.983 19 V HN 0.572 nan 8.190 nan 0.000 0.445 20 F N 2.074 122.146 119.950 0.204 0.000 2.546 20 F HA 0.551 5.165 4.527 0.145 0.000 0.320 20 F C 0.337 176.319 175.800 0.304 0.000 1.076 20 F CA -1.044 57.085 58.000 0.215 0.000 0.928 20 F CB 1.576 40.662 39.000 0.142 0.000 1.189 20 F HN 0.663 nan 8.300 nan 0.000 0.465 21 D N 0.609 121.225 120.400 0.360 0.000 2.440 21 D HA 0.120 4.847 4.640 0.145 0.000 0.269 21 D C 0.829 177.235 176.300 0.178 0.000 1.249 21 D CA -0.449 53.611 54.000 0.099 0.000 1.055 21 D CB 0.387 41.185 40.800 -0.003 0.000 1.104 21 D HN 0.421 nan 8.370 nan 0.000 0.561 22 L N -0.859 120.415 121.223 0.085 0.000 2.465 22 L HA -0.035 4.392 4.340 0.145 0.000 0.224 22 L C 1.459 178.415 176.870 0.144 0.000 1.145 22 L CA 1.239 56.161 54.840 0.137 0.000 0.834 22 L CB -0.624 41.478 42.059 0.072 0.000 0.944 22 L HN 0.440 nan 8.230 nan 0.000 0.451 23 Q N -1.435 118.425 119.800 0.101 0.000 2.219 23 Q HA 0.341 4.768 4.340 0.145 0.000 0.209 23 Q C 1.141 177.178 176.000 0.062 0.000 0.854 23 Q CA 0.580 56.428 55.803 0.075 0.000 0.960 23 Q CB 0.256 29.026 28.738 0.055 0.000 1.116 23 Q HN 0.313 nan 8.270 nan 0.000 0.500 24 G N 1.631 110.497 108.800 0.109 0.000 2.131 24 G HA2 -0.266 3.781 3.960 0.145 0.000 0.223 24 G HA3 -0.266 3.781 3.960 0.145 0.000 0.223 24 G C 0.023 175.084 174.900 0.268 0.000 0.990 24 G CA 0.114 45.288 45.100 0.123 0.000 0.671 24 G HN 0.317 nan 8.290 nan 0.000 0.521 28 G N 0.136 108.810 108.800 -0.210 0.000 2.633 28 G HA2 0.578 4.625 3.960 0.145 0.000 0.299 28 G HA3 0.578 4.625 3.960 0.145 0.000 0.299 28 G C -1.890 172.891 174.900 -0.199 0.000 1.501 28 G CA 0.102 45.093 45.100 -0.181 0.000 0.887 28 G HN 0.677 nan 8.290 nan 0.000 0.561 29 Q N 0.002 119.717 119.800 -0.141 0.000 2.353 29 Q HA 0.744 5.171 4.340 0.145 0.000 0.275 29 Q C -1.220 174.732 176.000 -0.080 0.000 1.029 29 Q CA -0.630 55.103 55.803 -0.117 0.000 0.848 29 Q CB 2.406 31.079 28.738 -0.107 0.000 1.390 29 Q HN 1.633 nan 8.270 nan 0.000 0.401 30 A N 1.653 124.434 122.820 -0.065 0.000 2.593 30 A HA 0.918 5.325 4.320 0.145 0.000 0.290 30 A C -1.459 176.104 177.584 -0.034 0.000 1.126 30 A CA -0.436 51.571 52.037 -0.050 0.000 0.695 30 A CB 2.331 21.297 19.000 -0.057 0.000 1.290 30 A HN 0.502 nan 8.150 nan 0.000 0.414 31 S N -0.546 115.138 115.700 -0.026 0.000 2.537 31 S HA 0.794 5.351 4.470 0.145 0.000 0.270 31 S C -1.621 172.973 174.600 -0.011 0.000 1.142 31 S CA -0.645 57.548 58.200 -0.012 0.000 0.870 31 S CB 1.238 64.435 63.200 -0.005 0.000 1.112 31 S HN 0.652 nan 8.310 nan 0.000 0.466 32 R N 2.319 122.818 120.500 -0.002 0.000 2.533 32 R HA 0.351 4.778 4.340 0.145 0.000 0.288 32 R C -1.369 174.938 176.300 0.012 0.000 1.039 32 R CA -0.766 55.335 56.100 0.001 0.000 0.909 32 R CB 1.468 31.765 30.300 -0.004 0.000 1.195 32 R HN 0.620 nan 8.270 nan 0.000 0.438 33 E N 2.609 122.814 120.200 0.008 0.000 2.413 33 E HA 0.172 4.609 4.350 0.145 0.000 0.263 33 E C 0.482 177.089 176.600 0.012 0.000 1.015 33 E CA 0.100 56.506 56.400 0.009 0.000 0.916 33 E CB 0.534 30.233 29.700 -0.003 0.000 0.947 33 E HN 0.451 nan 8.360 nan 0.000 0.440 34 I N -1.652 118.927 120.570 0.016 0.000 2.562 34 I HA 0.520 4.777 4.170 0.145 0.000 0.301 34 I C 0.016 176.109 176.117 -0.039 0.000 1.003 34 I CA -0.934 60.377 61.300 0.018 0.000 1.127 34 I CB 1.959 39.995 38.000 0.060 0.000 1.304 34 I HN 0.192 nan 8.210 nan 0.000 0.446 38 K N 3.571 124.069 120.400 0.163 0.000 2.679 38 K HA 0.292 4.700 4.320 0.145 0.000 0.188 38 K C -2.001 174.650 176.600 0.085 0.000 1.055 38 K CA -1.404 54.943 56.287 0.100 0.000 1.006 38 K CB 1.446 33.969 32.500 0.039 0.000 1.317 38 K HN 0.237 nan 8.250 nan 0.000 0.584 39 P HA -0.202 nan 4.420 nan 0.000 0.218 39 P C -0.294 176.972 177.300 -0.057 0.000 1.149 39 P CA 1.281 64.388 63.100 0.012 0.000 0.817 39 P CB 0.271 31.960 31.700 -0.017 0.000 0.785 40 K N -2.368 117.992 120.400 -0.066 0.000 2.614 40 K HA 0.635 5.042 4.320 0.145 0.000 0.293 40 K C -1.128 175.486 176.600 0.023 0.000 1.045 40 K CA -1.038 55.195 56.287 -0.089 0.000 0.880 40 K CB 0.759 33.109 32.500 -0.250 0.000 1.552 40 K HN -0.142 nan 8.250 nan 0.000 0.404 41 A N 1.128 123.968 122.820 0.033 0.000 2.540 41 A HA 0.187 4.595 4.320 0.145 0.000 0.239 41 A C -0.052 177.650 177.584 0.197 0.000 1.061 41 A CA 1.152 53.239 52.037 0.083 0.000 0.758 41 A CB -0.677 18.360 19.000 0.061 0.000 0.991 41 A HN 0.865 nan 8.150 nan 0.000 0.502 42 D N -1.260 119.208 120.400 0.114 0.000 2.653 42 D HA -0.165 4.562 4.640 0.145 0.000 0.184 42 D C -0.495 175.794 176.300 -0.018 0.000 0.993 42 D CA 1.920 55.953 54.000 0.054 0.000 1.027 42 D CB -1.569 39.296 40.800 0.108 0.000 1.089 42 D HN 0.452 nan 8.370 nan 0.000 0.447 43 F N 0.726 120.597 119.950 -0.131 0.000 2.391 43 F HA 0.506 5.120 4.527 0.145 0.000 0.359 43 F C 0.496 176.222 175.800 -0.123 0.000 1.122 43 F CA -0.692 57.219 58.000 -0.148 0.000 1.120 43 F CB 1.507 40.439 39.000 -0.113 0.000 1.142 43 F HN -0.338 nan 8.300 nan 0.000 0.483 44 V N 3.624 123.501 119.914 -0.063 0.000 2.482 44 V HA 0.454 4.661 4.120 0.145 0.000 0.295 44 V C -0.551 175.523 176.094 -0.033 0.000 1.026 44 V CA -0.890 61.371 62.300 -0.065 0.000 0.856 44 V CB 1.637 33.343 31.823 -0.196 0.000 1.001 44 V HN 0.671 nan 8.190 nan 0.000 0.424 45 E N 3.010 123.261 120.200 0.086 0.000 2.336 45 E HA 0.738 5.175 4.350 0.145 0.000 0.267 45 E C -1.118 175.649 176.600 0.278 0.000 0.906 45 E CA -0.796 55.691 56.400 0.145 0.000 0.781 45 E CB 2.983 32.774 29.700 0.153 0.000 1.261 45 E HN 0.691 nan 8.360 nan 0.000 0.436 46 Q N 0.102 120.048 119.800 0.244 0.000 2.683 46 Q HA 0.546 4.973 4.340 0.145 0.000 0.302 46 Q C -1.304 174.859 176.000 0.273 0.000 1.042 46 Q CA -0.938 55.043 55.803 0.298 0.000 0.773 46 Q CB 2.432 31.263 28.738 0.155 0.000 1.508 46 Q HN 0.361 nan 8.270 nan 0.000 0.459 47 S N -0.356 115.513 115.700 0.281 0.000 2.498 47 S HA 0.213 4.770 4.470 0.145 0.000 0.317 47 S C 0.609 175.277 174.600 0.114 0.000 1.090 47 S CA -0.173 58.141 58.200 0.190 0.000 1.089 47 S CB 0.992 64.356 63.200 0.274 0.000 0.997 47 S HN 0.704 nan 8.310 nan 0.000 0.470 48 S N 3.769 119.468 115.700 -0.002 0.000 2.402 48 S HA -0.115 4.442 4.470 0.145 0.000 0.229 48 S C 1.557 176.258 174.600 0.169 0.000 1.021 48 S CA 1.226 59.353 58.200 -0.122 0.000 0.974 48 S CB -0.520 62.289 63.200 -0.652 0.000 0.800 48 S HN 0.763 nan 8.310 nan 0.000 0.484 49 E N 2.815 123.126 120.200 0.184 0.000 2.072 49 E HA -0.129 4.308 4.350 0.145 0.000 0.191 49 E C 2.011 178.775 176.600 0.274 0.000 0.985 49 E CA 1.441 58.001 56.400 0.267 0.000 0.801 49 E CB -0.740 29.074 29.700 0.190 0.000 0.750 49 E HN 0.662 nan 8.360 nan 0.000 0.452 50 N N 0.191 119.021 118.700 0.215 0.000 2.120 50 N HA -0.157 4.670 4.740 0.145 0.000 0.188 50 N C 2.012 177.638 175.510 0.194 0.000 1.024 50 N CA 1.612 54.775 53.050 0.187 0.000 0.852 50 N CB -0.136 38.458 38.487 0.178 0.000 1.003 50 N HN 0.264 nan 8.380 nan 0.000 0.424 51 I N 0.106 120.815 120.570 0.230 0.000 2.179 51 I HA -0.255 4.002 4.170 0.145 0.000 0.242 51 I C 2.376 178.687 176.117 0.322 0.000 1.088 51 I CA 1.022 62.475 61.300 0.254 0.000 1.357 51 I CB -0.416 37.753 38.000 0.282 0.000 1.051 51 I HN 0.385 nan 8.210 nan 0.000 0.409 52 W N 1.805 123.239 121.300 0.224 0.000 2.363 52 W HA -0.256 4.492 4.660 0.145 0.000 0.296 52 W C 2.451 179.043 176.519 0.121 0.000 1.212 52 W CA 1.639 59.097 57.345 0.189 0.000 1.260 52 W CB -0.090 29.497 29.460 0.211 0.000 1.131 52 W HN 0.290 nan 8.180 nan 0.000 0.530 53 Q N 0.447 120.331 119.800 0.140 0.000 2.167 53 Q HA -0.149 4.278 4.340 0.145 0.000 0.202 53 Q C 2.334 178.301 176.000 -0.054 0.000 0.970 53 Q CA 1.887 57.694 55.803 0.008 0.000 0.855 53 Q CB -0.318 28.471 28.738 0.085 0.000 0.911 53 Q HN 0.173 nan 8.270 nan 0.000 0.438 54 A N -0.101 122.719 122.820 0.001 0.000 1.898 54 A HA -0.110 4.297 4.320 0.145 0.000 0.216 54 A C 2.189 179.735 177.584 -0.065 0.000 1.181 54 A CA 1.355 53.385 52.037 -0.011 0.000 0.620 54 A CB -0.716 18.307 19.000 0.038 0.000 0.819 54 A HN 0.293 nan 8.150 nan 0.000 0.442 55 V N -0.716 119.138 119.914 -0.100 0.000 2.343 55 V HA -0.327 3.880 4.120 0.145 0.000 0.247 55 V C 2.665 178.588 176.094 -0.286 0.000 1.051 55 V CA 2.121 64.324 62.300 -0.162 0.000 1.036 55 V CB -0.946 30.778 31.823 -0.164 0.000 0.654 55 V HN 0.727 nan 8.190 nan 0.000 0.451 56 C N -0.011 119.025 119.300 -0.440 0.000 2.446 56 C HA -0.108 4.439 4.460 0.145 0.000 0.277 56 C C 2.665 177.540 174.990 -0.193 0.000 1.275 56 C CA 0.858 59.654 59.018 -0.370 0.000 1.727 56 C CB -1.395 26.098 27.740 -0.411 0.000 2.010 56 C HN 0.618 nan 8.230 nan 0.000 0.486 57 N N 1.207 119.821 118.700 -0.144 0.000 2.166 57 N HA -0.069 4.758 4.740 0.145 0.000 0.186 57 N C 1.838 177.300 175.510 -0.081 0.000 1.019 57 N CA 1.628 54.624 53.050 -0.089 0.000 0.856 57 N CB -0.464 37.988 38.487 -0.059 0.000 0.993 57 N HN 0.555 nan 8.380 nan 0.000 0.426 58 A N 0.710 123.480 122.820 -0.085 0.000 1.898 58 A HA -0.083 4.325 4.320 0.145 0.000 0.216 58 A C 2.385 179.920 177.584 -0.082 0.000 1.181 58 A CA 1.743 53.738 52.037 -0.070 0.000 0.620 58 A CB -0.798 18.170 19.000 -0.052 0.000 0.819 58 A HN 0.211 nan 8.150 nan 0.000 0.442 59 V N -1.755 118.097 119.914 -0.103 0.000 2.871 59 V HA -0.087 4.120 4.120 0.145 0.000 0.256 59 V C 2.088 178.125 176.094 -0.095 0.000 1.082 59 V CA 1.779 64.019 62.300 -0.101 0.000 1.105 59 V CB -0.804 30.953 31.823 -0.111 0.000 0.713 59 V HN 0.500 nan 8.190 nan 0.000 0.473 60 R N 0.388 120.832 120.500 -0.094 0.000 2.066 60 R HA -0.099 4.328 4.340 0.145 0.000 0.232 60 R C 2.082 178.336 176.300 -0.076 0.000 1.131 60 R CA 2.012 58.064 56.100 -0.081 0.000 0.955 60 R CB -0.471 29.784 30.300 -0.074 0.000 0.851 60 R HN 0.514 nan 8.270 nan 0.000 0.432 61 D N 0.303 120.660 120.400 -0.072 0.000 2.219 61 D HA -0.080 4.648 4.640 0.145 0.000 0.205 61 D C 1.629 177.882 176.300 -0.079 0.000 0.970 61 D CA 1.187 55.147 54.000 -0.068 0.000 0.851 61 D CB -0.090 40.675 40.800 -0.057 0.000 0.943 61 D HN 0.250 nan 8.370 nan 0.000 0.488 62 A N 0.252 123.020 122.820 -0.087 0.000 1.872 62 A HA -0.084 4.323 4.320 0.145 0.000 0.214 62 A C 2.405 179.917 177.584 -0.121 0.000 1.187 62 A CA 0.888 52.862 52.037 -0.104 0.000 0.614 62 A CB -0.653 18.284 19.000 -0.105 0.000 0.826 62 A HN 0.131 nan 8.150 nan 0.000 0.442 63 V N 1.057 120.900 119.914 -0.117 0.000 2.407 63 V HA -0.231 3.977 4.120 0.145 0.000 0.248 63 V C 2.295 178.312 176.094 -0.128 0.000 1.055 63 V CA 2.059 64.278 62.300 -0.134 0.000 1.049 63 V CB -0.974 30.779 31.823 -0.117 0.000 0.662 63 V HN 0.523 nan 8.190 nan 0.000 0.455 64 N N -0.029 118.610 118.700 -0.101 0.000 2.120 64 N HA -0.199 4.628 4.740 0.145 0.000 0.188 64 N C 1.915 177.371 175.510 -0.091 0.000 1.024 64 N CA 1.609 54.606 53.050 -0.088 0.000 0.852 64 N CB -0.267 38.178 38.487 -0.070 0.000 1.003 64 N HN 0.646 nan 8.380 nan 0.000 0.424 65 Q N 0.191 119.935 119.800 -0.094 0.000 2.083 65 Q HA 0.036 4.463 4.340 0.145 0.000 0.198 65 Q C 1.820 177.755 176.000 -0.108 0.000 0.969 65 Q CA 1.368 57.117 55.803 -0.090 0.000 0.838 65 Q CB -0.060 28.625 28.738 -0.087 0.000 0.900 65 Q HN 0.331 nan 8.270 nan 0.000 0.436 66 A N 0.801 123.536 122.820 -0.141 0.000 1.972 66 A HA -0.156 4.252 4.320 0.145 0.000 0.219 66 A C 0.604 178.077 177.584 -0.185 0.000 1.169 66 A CA 1.304 53.233 52.037 -0.180 0.000 0.635 66 A CB -0.382 18.468 19.000 -0.250 0.000 0.810 66 A HN 0.697 nan 8.150 nan 0.000 0.446 67 D N -1.581 118.720 120.400 -0.164 0.000 2.872 67 D HA -0.127 4.600 4.640 0.145 0.000 0.248 67 D C -0.156 176.035 176.300 -0.182 0.000 1.104 67 D CA 1.069 54.985 54.000 -0.140 0.000 0.784 67 D CB -1.784 38.955 40.800 -0.101 0.000 1.036 67 D HN 0.881 nan 8.370 nan 0.000 0.426 68 I N -2.772 117.663 120.570 -0.226 0.000 3.145 68 I HA 0.590 4.847 4.170 0.145 0.000 0.313 68 I C -0.110 175.911 176.117 -0.161 0.000 1.122 68 I CA -1.333 59.819 61.300 -0.248 0.000 0.987 68 I CB 1.884 39.588 38.000 -0.493 0.000 1.236 68 I HN -0.046 nan 8.210 nan 0.000 0.453 69 N N 2.892 121.524 118.700 -0.114 0.000 2.518 69 N HA 0.336 5.163 4.740 0.145 0.000 0.283 69 N C -2.066 173.398 175.510 -0.076 0.000 1.119 69 N CA -1.243 51.760 53.050 -0.078 0.000 0.983 69 N CB 1.107 39.565 38.487 -0.049 0.000 1.139 69 N HN 0.462 nan 8.380 nan 0.000 0.465 70 P HA -0.182 nan 4.420 nan 0.000 0.217 70 P C 1.114 178.384 177.300 -0.050 0.000 1.148 70 P CA 0.808 63.873 63.100 -0.059 0.000 0.834 70 P CB 0.186 31.859 31.700 -0.046 0.000 0.783 71 I N -0.614 119.932 120.570 -0.041 0.000 2.756 71 I HA -0.196 4.061 4.170 0.145 0.000 0.262 71 I C 1.706 177.800 176.117 -0.038 0.000 1.225 71 I CA 1.557 62.835 61.300 -0.036 0.000 1.472 71 I CB -0.602 37.382 38.000 -0.028 0.000 1.094 71 I HN -0.033 nan 8.210 nan 0.000 0.454 72 Q N -0.802 118.982 119.800 -0.028 0.000 2.425 72 Q HA 0.163 4.590 4.340 0.145 0.000 0.204 72 Q C 0.285 176.272 176.000 -0.021 0.000 0.933 72 Q CA 0.042 55.851 55.803 0.009 0.000 0.939 72 Q CB 0.405 29.206 28.738 0.105 0.000 1.044 72 Q HN 0.231 nan 8.270 nan 0.000 0.513 73 V N 2.317 122.189 119.914 -0.071 0.000 2.408 73 V HA 0.053 4.260 4.120 0.145 0.000 0.267 73 V C 0.670 176.650 176.094 -0.190 0.000 1.047 73 V CA 0.188 62.413 62.300 -0.126 0.000 0.937 73 V CB 1.064 32.838 31.823 -0.082 0.000 0.999 73 V HN 0.130 nan 8.190 nan 0.000 0.472 74 K N 3.276 123.437 120.400 -0.399 0.000 2.358 74 K HA 0.380 4.787 4.320 0.145 0.000 0.200 74 K C 0.559 177.073 176.600 -0.143 0.000 1.030 74 K CA 0.307 56.395 56.287 -0.332 0.000 1.097 74 K CB 1.413 33.618 32.500 -0.491 0.000 0.862 74 K HN 0.799 nan 8.250 nan 0.000 0.534 75 G N 0.693 109.450 108.800 -0.072 0.000 2.655 75 G HA2 0.498 4.545 3.960 0.145 0.000 0.296 75 G HA3 0.498 4.545 3.960 0.145 0.000 0.296 75 G C -2.080 172.919 174.900 0.164 0.000 1.485 75 G CA -0.687 44.522 45.100 0.181 0.000 0.869 75 G HN -0.046 nan 8.290 nan 0.000 0.540 76 L N 0.640 121.928 121.223 0.108 0.000 2.386 76 L HA 0.850 5.277 4.340 0.145 0.000 0.271 76 L C 0.634 177.482 176.870 -0.038 0.000 0.993 76 L CA -0.321 54.508 54.840 -0.020 0.000 0.819 76 L CB 2.442 44.452 42.059 -0.081 0.000 1.294 76 L HN 0.885 nan 8.230 nan 0.000 0.414 77 G N 1.331 110.036 108.800 -0.159 0.000 2.495 77 G HA2 0.722 4.769 3.960 0.145 0.000 0.318 77 G HA3 0.722 4.769 3.960 0.145 0.000 0.318 77 G C -1.628 173.100 174.900 -0.286 0.000 1.257 77 G CA -0.262 44.781 45.100 -0.095 0.000 0.962 77 G HN 0.215 nan 8.290 nan 0.000 0.483 78 F N 0.745 120.725 119.950 0.051 0.000 2.507 78 F HA 0.480 5.094 4.527 0.145 0.000 0.325 78 F C -0.151 175.680 175.800 0.052 0.000 1.116 78 F CA -0.610 57.427 58.000 0.062 0.000 0.930 78 F CB 2.787 41.829 39.000 0.070 0.000 1.146 78 F HN 0.646 nan 8.300 nan 0.000 0.447 79 D N 1.651 122.184 120.400 0.222 0.000 2.581 79 D HA 0.858 5.586 4.640 0.145 0.000 0.232 79 D C -1.363 175.040 176.300 0.172 0.000 1.143 79 D CA -0.696 53.399 54.000 0.158 0.000 0.881 79 D CB 2.125 42.980 40.800 0.091 0.000 1.500 79 D HN 0.748 nan 8.370 nan 0.000 0.458 80 A N 0.259 123.165 122.820 0.143 0.000 2.586 80 A HA 0.728 5.135 4.320 0.145 0.000 0.290 80 A C -0.174 177.476 177.584 0.110 0.000 1.086 80 A CA -0.452 51.675 52.037 0.151 0.000 0.665 80 A CB 0.733 19.856 19.000 0.206 0.000 1.279 80 A HN 1.014 nan 8.150 nan 0.000 0.423 81 T N -1.427 113.193 114.554 0.110 0.000 2.855 81 T HA 0.312 4.749 4.350 0.145 0.000 0.314 81 T C 0.769 175.548 174.700 0.131 0.000 1.077 81 T CA 0.301 62.430 62.100 0.047 0.000 1.095 81 T CB -0.250 68.687 68.868 0.114 0.000 0.987 81 T HN 1.720 nan 8.240 nan 0.000 0.546 82 C N 2.067 121.432 119.300 0.108 0.000 3.247 82 C HA 0.526 5.074 4.460 0.145 0.000 0.573 82 C C 0.802 175.954 174.990 0.272 0.000 1.106 82 C CA -1.263 57.870 59.018 0.192 0.000 1.209 82 C CB -2.529 25.306 27.740 0.157 0.000 1.460 82 C HN 0.740 nan 8.230 nan 0.000 0.634 83 S N 0.897 116.768 115.700 0.286 0.000 2.693 83 S HA 0.674 5.231 4.470 0.145 0.000 0.276 83 S C -0.399 174.337 174.600 0.227 0.000 1.192 83 S CA -0.457 57.898 58.200 0.258 0.000 0.994 83 S CB 1.163 64.512 63.200 0.249 0.000 1.012 83 S HN 0.701 nan 8.310 nan 0.000 0.550 84 L N 2.205 123.527 121.223 0.165 0.000 2.305 84 L HA 0.607 5.034 4.340 0.145 0.000 0.284 84 L C -1.257 175.698 176.870 0.142 0.000 1.013 84 L CA -0.351 54.599 54.840 0.183 0.000 0.819 84 L CB 1.093 43.212 42.059 0.100 0.000 1.227 84 L HN 0.385 nan 8.230 nan 0.000 0.417 85 V N 6.086 126.105 119.914 0.176 0.000 2.370 85 V HA 0.514 4.722 4.120 0.145 0.000 0.283 85 V C -0.269 175.886 176.094 0.102 0.000 1.023 85 V CA -0.627 61.710 62.300 0.062 0.000 0.857 85 V CB 1.689 33.465 31.823 -0.078 0.000 0.985 85 V HN 0.540 nan 8.190 nan 0.000 0.443 86 V N 6.951 126.894 119.914 0.047 0.000 2.435 86 V HA 0.586 4.793 4.120 0.145 0.000 0.290 86 V C -0.192 175.919 176.094 0.028 0.000 1.030 86 V CA -0.437 61.890 62.300 0.046 0.000 0.881 86 V CB 1.598 33.458 31.823 0.061 0.000 0.983 86 V HN 0.647 nan 8.190 nan 0.000 0.445 87 L N 3.487 124.725 121.223 0.026 0.000 2.371 87 L HA 0.627 5.055 4.340 0.145 0.000 0.262 87 L C -0.455 176.427 176.870 0.020 0.000 1.006 87 L CA -0.912 53.961 54.840 0.055 0.000 0.818 87 L CB 2.376 44.496 42.059 0.102 0.000 1.354 87 L HN 0.754 nan 8.230 nan 0.000 0.415 88 D N -0.046 120.377 120.400 0.040 0.000 2.478 88 D HA 0.138 4.865 4.640 0.145 0.000 0.274 88 D C 0.469 176.763 176.300 -0.011 0.000 1.234 88 D CA -0.422 53.574 54.000 -0.006 0.000 1.069 88 D CB 0.689 41.495 40.800 0.010 0.000 1.113 88 D HN 0.344 nan 8.370 nan 0.000 0.571 89 K N -1.181 119.190 120.400 -0.048 0.000 2.362 89 K HA -0.074 4.333 4.320 0.145 0.000 0.200 89 K C 0.855 177.472 176.600 0.029 0.000 1.046 89 K CA 1.012 57.259 56.287 -0.067 0.000 0.952 89 K CB 0.005 32.460 32.500 -0.075 0.000 0.753 89 K HN 0.368 nan 8.250 nan 0.000 0.466 90 E N -0.800 119.444 120.200 0.075 0.000 2.481 90 E HA 0.104 4.541 4.350 0.145 0.000 0.198 90 E C 0.549 177.271 176.600 0.203 0.000 1.027 90 E CA 0.261 56.733 56.400 0.119 0.000 0.900 90 E CB 1.046 30.797 29.700 0.083 0.000 0.993 90 E HN 0.328 nan 8.360 nan 0.000 0.482 91 G N 1.143 110.097 108.800 0.257 0.000 2.147 91 G HA2 -0.257 3.791 3.960 0.145 0.000 0.244 91 G HA3 -0.257 3.791 3.960 0.145 0.000 0.244 91 G C -0.234 174.845 174.900 0.297 0.000 1.005 91 G CA -0.144 45.165 45.100 0.349 0.000 0.713 91 G HN 0.174 nan 8.290 nan 0.000 0.515 92 N N 0.579 119.392 118.700 0.189 0.000 2.466 92 N HA 0.514 5.341 4.740 0.145 0.000 0.294 92 N C -2.776 172.801 175.510 0.112 0.000 1.129 92 N CA -1.648 51.492 53.050 0.150 0.000 0.931 92 N CB 1.431 39.983 38.487 0.107 0.000 1.193 92 N HN -0.063 nan 8.380 nan 0.000 0.500 93 P HA -0.000 nan 4.420 nan 0.000 0.264 93 P C -0.595 176.731 177.300 0.043 0.000 1.183 93 P CA 0.102 63.235 63.100 0.055 0.000 0.763 93 P CB 0.444 32.172 31.700 0.046 0.000 0.807 94 L N 3.369 124.612 121.223 0.034 0.000 2.385 94 L HA 0.491 4.918 4.340 0.145 0.000 0.273 94 L C -0.114 176.780 176.870 0.040 0.000 0.990 94 L CA -0.346 54.515 54.840 0.034 0.000 0.821 94 L CB 2.060 44.135 42.059 0.028 0.000 1.279 94 L HN 0.175 nan 8.230 nan 0.000 0.412 95 T N 2.766 117.346 114.554 0.044 0.000 2.930 95 T HA 0.324 4.761 4.350 0.145 0.000 0.306 95 T C 0.843 175.600 174.700 0.095 0.000 1.045 95 T CA 0.333 62.463 62.100 0.049 0.000 1.134 95 T CB 0.418 69.309 68.868 0.039 0.000 0.961 95 T HN 0.711 nan 8.240 nan 0.000 0.545 96 V N 1.986 121.960 119.914 0.100 0.000 3.276 96 V HA 0.493 4.700 4.120 0.145 0.000 0.319 96 V C 0.529 176.742 176.094 0.198 0.000 1.427 96 V CA -0.348 62.051 62.300 0.165 0.000 1.102 96 V CB 0.208 32.101 31.823 0.117 0.000 1.020 96 V HN 0.628 nan 8.190 nan 0.000 0.456 97 S N 0.663 116.450 115.700 0.145 0.000 2.537 97 S HA 0.679 5.237 4.470 0.145 0.000 0.301 97 S C -1.735 172.944 174.600 0.132 0.000 1.092 97 S CA -1.117 57.162 58.200 0.132 0.000 1.048 97 S CB 1.948 65.162 63.200 0.023 0.000 1.053 97 S HN 0.204 nan 8.310 nan 0.000 0.501 98 P HA -0.086 nan 4.420 nan 0.000 0.219 98 P C 1.421 178.729 177.300 0.013 0.000 1.146 98 P CA 1.035 64.165 63.100 0.050 0.000 0.808 98 P CB -0.033 31.631 31.700 -0.060 0.000 0.779 99 S N -1.355 114.343 115.700 -0.002 0.000 2.447 99 S HA 0.039 4.596 4.470 0.145 0.000 0.233 99 S C 1.936 176.525 174.600 -0.018 0.000 1.006 99 S CA 1.071 59.255 58.200 -0.026 0.000 0.957 99 S CB -1.519 61.639 63.200 -0.070 0.000 0.773 99 S HN 0.299 nan 8.310 nan 0.000 0.507 100 G N 1.395 110.195 108.800 0.001 0.000 2.212 100 G HA2 -0.315 3.733 3.960 0.145 0.000 0.266 100 G HA3 -0.315 3.733 3.960 0.145 0.000 0.266 100 G C 0.183 175.078 174.900 -0.010 0.000 0.978 100 G CA 0.251 45.356 45.100 0.008 0.000 0.632 100 G HN 0.646 nan 8.290 nan 0.000 0.537 101 R N 0.440 120.913 120.500 -0.044 0.000 2.370 101 R HA 0.267 4.694 4.340 0.145 0.000 0.309 101 R C 1.239 177.506 176.300 -0.054 0.000 1.059 101 R CA 0.302 56.364 56.100 -0.063 0.000 0.981 101 R CB 0.085 30.311 30.300 -0.124 0.000 0.972 101 R HN 0.440 nan 8.270 nan 0.000 0.437 102 N N 1.947 120.633 118.700 -0.023 0.000 2.364 102 N HA -0.188 4.639 4.740 0.145 0.000 0.183 102 N C 0.718 176.218 175.510 -0.017 0.000 1.022 102 N CA 0.858 53.905 53.050 -0.006 0.000 0.883 102 N CB 0.170 38.665 38.487 0.013 0.000 0.965 102 N HN 0.518 nan 8.380 nan 0.000 0.438 103 E N 0.850 121.026 120.200 -0.041 0.000 2.110 103 E HA -0.111 4.326 4.350 0.145 0.000 0.193 103 E C 0.199 176.749 176.600 -0.084 0.000 0.988 103 E CA 0.865 57.240 56.400 -0.041 0.000 0.804 103 E CB 0.100 29.767 29.700 -0.054 0.000 0.745 103 E HN 0.393 nan 8.360 nan 0.000 0.458 104 Q N 1.377 121.074 119.800 -0.172 0.000 2.681 104 Q HA 0.113 4.541 4.340 0.145 0.000 0.222 104 Q C -0.108 175.861 176.000 -0.053 0.000 1.258 104 Q CA -0.256 55.433 55.803 -0.189 0.000 1.014 104 Q CB 0.113 28.630 28.738 -0.368 0.000 1.384 104 Q HN 0.261 nan 8.270 nan 0.000 0.570 105 N N 0.004 118.696 118.700 -0.014 0.000 2.197 105 N HA 0.064 4.891 4.740 0.145 0.000 0.228 105 N C -0.729 174.785 175.510 0.006 0.000 1.212 105 N CA -0.022 53.030 53.050 0.004 0.000 0.883 105 N CB 0.949 39.433 38.487 -0.006 0.000 1.107 105 N HN 0.087 nan 8.380 nan 0.000 0.519 106 V N 1.950 121.876 119.914 0.019 0.000 2.483 106 V HA 0.439 4.647 4.120 0.145 0.000 0.297 106 V C 0.007 176.120 176.094 0.032 0.000 1.027 106 V CA -0.739 61.577 62.300 0.027 0.000 0.855 106 V CB 2.022 33.864 31.823 0.031 0.000 0.995 106 V HN 0.087 nan 8.190 nan 0.000 0.424 107 I N 5.286 125.865 120.570 0.015 0.000 2.301 107 I HA 0.243 4.500 4.170 0.145 0.000 0.292 107 I C 0.194 176.301 176.117 -0.017 0.000 1.046 107 I CA -0.384 60.891 61.300 -0.042 0.000 1.282 107 I CB 1.309 39.251 38.000 -0.096 0.000 1.409 107 I HN 0.317 nan 8.210 nan 0.000 0.484 108 V N 6.786 126.672 119.914 -0.048 0.000 2.963 108 V HA -0.024 4.183 4.120 0.145 0.000 0.306 108 V C 0.606 176.652 176.094 -0.081 0.000 1.077 108 V CA -0.488 61.786 62.300 -0.043 0.000 1.124 108 V CB 0.275 32.006 31.823 -0.153 0.000 0.987 108 V HN 0.757 nan 8.190 nan 0.000 0.487 112 H N 2.071 120.968 119.070 -0.289 0.000 2.475 112 H HA 0.140 4.783 4.556 0.145 0.000 0.276 112 H C 1.701 176.842 175.328 -0.312 0.000 1.126 112 H CA -0.203 55.711 56.048 -0.223 0.000 1.023 112 H CB 0.999 30.698 29.762 -0.106 0.000 1.669 112 H HN 0.295 nan 8.280 nan 0.000 0.573 113 R N 0.587 120.781 120.500 -0.509 0.000 2.193 113 R HA 0.013 4.440 4.340 0.145 0.000 0.229 113 R C 1.261 177.275 176.300 -0.477 0.000 1.110 113 R CA 1.287 56.921 56.100 -0.776 0.000 0.988 113 R CB -0.003 29.180 30.300 -1.862 0.000 0.871 113 R HN 0.108 nan 8.270 nan 0.000 0.458 114 A N 0.935 123.550 122.820 -0.342 0.000 2.640 114 A HA 0.288 4.695 4.320 0.145 0.000 0.282 114 A C 1.453 179.035 177.584 -0.003 0.000 1.357 114 A CA -0.462 51.528 52.037 -0.078 0.000 0.946 114 A CB -0.352 18.611 19.000 -0.063 0.000 1.065 114 A HN 0.286 nan 8.150 nan 0.000 0.541 115 I N -0.735 119.827 120.570 -0.013 0.000 2.163 115 I HA -0.247 4.010 4.170 0.145 0.000 0.243 115 I C 2.595 178.732 176.117 0.033 0.000 1.085 115 I CA 1.861 63.157 61.300 -0.007 0.000 1.347 115 I CB -0.223 37.775 38.000 -0.004 0.000 1.044 115 I HN 0.308 nan 8.210 nan 0.000 0.408 116 T N -0.290 114.310 114.554 0.076 0.000 2.788 116 T HA -0.213 4.224 4.350 0.145 0.000 0.268 116 T C 1.831 176.574 174.700 0.070 0.000 1.044 116 T CA 1.277 63.426 62.100 0.082 0.000 1.139 116 T CB -0.111 68.828 68.868 0.120 0.000 0.867 116 T HN 0.281 nan 8.240 nan 0.000 0.454 117 Q N 0.795 120.650 119.800 0.092 0.000 2.119 117 Q HA 0.202 4.629 4.340 0.145 0.000 0.201 117 Q C 2.464 178.481 176.000 0.029 0.000 0.972 117 Q CA 1.348 57.186 55.803 0.059 0.000 0.847 117 Q CB -0.549 28.243 28.738 0.090 0.000 0.903 117 Q HN 0.539 nan 8.270 nan 0.000 0.433 118 A N 0.795 123.631 122.820 0.027 0.000 1.898 118 A HA -0.216 4.192 4.320 0.145 0.000 0.216 118 A C 1.880 179.480 177.584 0.027 0.000 1.181 118 A CA 1.465 53.513 52.037 0.020 0.000 0.620 118 A CB -0.396 18.607 19.000 0.005 0.000 0.819 118 A HN 0.385 nan 8.150 nan 0.000 0.442 119 E N -0.699 119.516 120.200 0.026 0.000 2.077 119 E HA -0.232 4.205 4.350 0.145 0.000 0.193 119 E C 2.280 178.896 176.600 0.026 0.000 0.989 119 E CA 1.352 57.768 56.400 0.027 0.000 0.800 119 E CB -0.194 29.522 29.700 0.026 0.000 0.746 119 E HN 0.649 nan 8.360 nan 0.000 0.452 120 R N 1.057 121.568 120.500 0.019 0.000 2.066 120 R HA -0.117 4.310 4.340 0.145 0.000 0.232 120 R C 2.296 178.602 176.300 0.010 0.000 1.131 120 R CA 1.123 57.227 56.100 0.008 0.000 0.955 120 R CB -0.210 30.085 30.300 -0.008 0.000 0.851 120 R HN 0.114 nan 8.270 nan 0.000 0.432 121 I N 1.457 122.035 120.570 0.013 0.000 2.163 121 I HA -0.318 3.940 4.170 0.145 0.000 0.243 121 I C 1.766 177.931 176.117 0.080 0.000 1.085 121 I CA 1.252 62.575 61.300 0.037 0.000 1.347 121 I CB -0.442 37.592 38.000 0.058 0.000 1.044 121 I HN 0.289 nan 8.210 nan 0.000 0.408 122 N N 1.085 119.825 118.700 0.066 0.000 2.149 122 N HA -0.146 4.682 4.740 0.145 0.000 0.188 122 N C 1.798 177.346 175.510 0.064 0.000 1.019 122 N CA 1.548 54.640 53.050 0.070 0.000 0.857 122 N CB -0.359 38.161 38.487 0.055 0.000 0.997 122 N HN 0.370 nan 8.380 nan 0.000 0.426 123 A N 0.249 123.098 122.820 0.048 0.000 2.125 123 A HA -0.109 4.298 4.320 0.145 0.000 0.219 123 A C 2.233 179.845 177.584 0.048 0.000 1.156 123 A CA 1.866 53.927 52.037 0.040 0.000 0.671 123 A CB -0.856 18.160 19.000 0.026 0.000 0.794 123 A HN 0.513 nan 8.150 nan 0.000 0.459 124 T N -3.691 110.904 114.554 0.068 0.000 2.995 124 T HA -0.039 4.398 4.350 0.145 0.000 0.269 124 T C 0.868 175.631 174.700 0.105 0.000 1.091 124 T CA 0.922 63.075 62.100 0.090 0.000 1.128 124 T CB -0.245 68.699 68.868 0.126 0.000 0.891 124 T HN 0.359 nan 8.240 nan 0.000 0.492 125 K N 1.434 121.897 120.400 0.106 0.000 3.035 125 K HA -0.184 4.223 4.320 0.145 0.000 0.262 125 K C -0.020 176.646 176.600 0.111 0.000 1.024 125 K CA 0.562 56.902 56.287 0.088 0.000 0.748 125 K CB -2.433 30.092 32.500 0.041 0.000 1.247 125 K HN 0.784 nan 8.250 nan 0.000 0.482 126 H N 0.801 119.935 119.070 0.107 0.000 2.815 126 H HA 0.038 4.681 4.556 0.145 0.000 0.350 126 H C -1.445 173.943 175.328 0.100 0.000 1.080 126 H CA -1.128 55.002 56.048 0.137 0.000 1.433 126 H CB 1.124 31.050 29.762 0.273 0.000 1.432 126 H HN -0.154 nan 8.280 nan 0.000 0.592 127 P HA -0.202 nan 4.420 nan 0.000 0.217 127 P C 1.636 179.094 177.300 0.263 0.000 1.148 127 P CA 1.830 64.956 63.100 0.044 0.000 0.828 127 P CB 0.025 31.695 31.700 -0.050 0.000 0.783 128 V N -3.709 116.501 119.914 0.492 0.000 2.913 128 V HA -0.139 4.068 4.120 0.145 0.000 0.260 128 V C 1.885 178.159 176.094 0.301 0.000 1.098 128 V CA 1.447 63.983 62.300 0.394 0.000 1.121 128 V CB -1.616 30.232 31.823 0.041 0.000 0.714 128 V HN 0.055 nan 8.190 nan 0.000 0.487 129 L N -0.006 121.324 121.223 0.178 0.000 2.552 129 L HA 0.046 4.473 4.340 0.145 0.000 0.227 129 L C 2.524 179.460 176.870 0.110 0.000 1.146 129 L CA 1.000 55.910 54.840 0.117 0.000 0.858 129 L CB -0.620 41.502 42.059 0.106 0.000 0.969 129 L HN 0.396 nan 8.230 nan 0.000 0.451 130 E N -0.089 120.150 120.200 0.065 0.000 2.418 130 E HA -0.122 4.315 4.350 0.145 0.000 0.197 130 E C 1.441 178.037 176.600 -0.006 0.000 1.026 130 E CA 0.778 57.160 56.400 -0.030 0.000 0.862 130 E CB 0.080 29.663 29.700 -0.195 0.000 0.799 130 E HN 0.463 nan 8.360 nan 0.000 0.518 131 F N -0.219 119.860 119.950 0.214 0.000 2.797 131 F HA -0.001 4.613 4.527 0.145 0.000 0.302 131 F C 1.382 177.179 175.800 -0.005 0.000 1.130 131 F CA 0.103 58.154 58.000 0.085 0.000 1.387 131 F CB 0.675 39.748 39.000 0.123 0.000 1.107 131 F HN -0.115 nan 8.300 nan 0.000 0.577 132 V N -3.141 116.848 119.914 0.127 0.000 2.778 132 V HA 0.652 4.859 4.120 0.145 0.000 0.356 132 V C 0.974 177.143 176.094 0.124 0.000 1.283 132 V CA -0.207 62.012 62.300 -0.135 0.000 1.247 132 V CB 0.026 31.610 31.823 -0.398 0.000 1.408 132 V HN 0.313 nan 8.190 nan 0.000 0.620 133 G N 0.258 109.208 108.800 0.250 0.000 2.179 133 G HA2 0.006 4.053 3.960 0.145 0.000 0.257 133 G HA3 0.006 4.053 3.960 0.145 0.000 0.257 133 G C 1.416 176.407 174.900 0.153 0.000 1.010 133 G CA 0.700 45.947 45.100 0.245 0.000 0.736 133 G HN 2.288 nan 8.290 nan 0.000 0.513 134 G N -2.999 105.868 108.800 0.112 0.000 2.184 134 G HA2 -0.024 4.023 3.960 0.145 0.000 0.264 134 G HA3 -0.024 4.023 3.960 0.145 0.000 0.264 134 G C 0.333 175.283 174.900 0.084 0.000 0.975 134 G CA 0.742 45.891 45.100 0.081 0.000 0.642 134 G HN 1.814 nan 8.290 nan 0.000 0.536 135 V N 1.543 121.519 119.914 0.103 0.000 2.380 135 V HA 0.479 4.686 4.120 0.145 0.000 0.272 135 V C 0.659 176.800 176.094 0.080 0.000 1.011 135 V CA -0.847 61.512 62.300 0.098 0.000 0.826 135 V CB 1.440 33.336 31.823 0.121 0.000 1.040 135 V HN 0.415 nan 8.190 nan 0.000 0.441 136 I N 2.727 123.320 120.570 0.039 0.000 2.813 136 I HA 0.182 4.439 4.170 0.145 0.000 0.287 136 I C 0.872 176.997 176.117 0.014 0.000 1.196 136 I CA 0.782 62.076 61.300 -0.010 0.000 1.421 136 I CB 1.344 39.345 38.000 0.002 0.000 1.365 136 I HN 0.693 nan 8.210 nan 0.000 0.591 137 S N 6.734 122.428 115.700 -0.010 0.000 2.578 137 S HA 0.457 5.015 4.470 0.145 0.000 0.283 137 S C -1.674 172.925 174.600 -0.003 0.000 1.195 137 S CA -1.428 56.793 58.200 0.036 0.000 1.050 137 S CB 1.490 64.764 63.200 0.123 0.000 1.012 137 S HN 0.443 nan 8.310 nan 0.000 0.511 138 P HA 0.032 nan 4.420 nan 0.000 0.225 138 P C -0.022 177.268 177.300 -0.016 0.000 1.148 138 P CA 0.773 63.839 63.100 -0.057 0.000 0.779 138 P CB 0.099 31.715 31.700 -0.141 0.000 0.780 142 T N -0.155 114.227 114.554 -0.286 0.000 2.788 142 T HA -0.035 4.402 4.350 0.145 0.000 0.268 142 T C -1.076 173.584 174.700 -0.067 0.000 1.044 142 T CA 1.582 63.610 62.100 -0.120 0.000 1.139 142 T CB -1.168 67.697 68.868 -0.004 0.000 0.867 142 T HN 0.009 nan 8.240 nan 0.000 0.454 143 P HA 0.027 nan 4.420 nan 0.000 0.217 143 P C 1.468 178.774 177.300 0.011 0.000 1.150 143 P CA 1.164 64.253 63.100 -0.017 0.000 0.832 143 P CB -0.064 31.625 31.700 -0.017 0.000 0.787 144 K N -0.687 119.692 120.400 -0.034 0.000 2.097 144 K HA -0.031 4.377 4.320 0.145 0.000 0.205 144 K C 2.043 178.701 176.600 0.098 0.000 1.050 144 K CA 0.969 57.253 56.287 -0.004 0.000 0.938 144 K CB -0.635 31.811 32.500 -0.090 0.000 0.718 144 K HN 0.129 nan 8.250 nan 0.000 0.442 145 L N 0.610 121.861 121.223 0.047 0.000 2.042 145 L HA -0.209 4.219 4.340 0.145 0.000 0.210 145 L C 2.375 179.233 176.870 -0.020 0.000 1.076 145 L CA 0.672 55.597 54.840 0.142 0.000 0.749 145 L CB -0.449 41.719 42.059 0.181 0.000 0.893 145 L HN 0.180 nan 8.230 nan 0.000 0.432 146 L N -0.825 120.366 121.223 -0.054 0.000 2.083 146 L HA -0.207 4.220 4.340 0.145 0.000 0.209 146 L C 2.217 179.025 176.870 -0.103 0.000 1.083 146 L CA 1.662 56.406 54.840 -0.159 0.000 0.752 146 L CB -0.716 41.279 42.059 -0.107 0.000 0.899 146 L HN 0.294 nan 8.230 nan 0.000 0.433 147 W N -0.144 121.098 121.300 -0.097 0.000 2.335 147 W HA -0.247 4.501 4.660 0.146 0.000 0.311 147 W C 2.267 178.813 176.519 0.044 0.000 1.213 147 W CA 2.030 59.401 57.345 0.043 0.000 1.274 147 W CB -0.183 29.290 29.460 0.022 0.000 1.148 147 W HN 0.129 nan 8.180 nan 0.000 0.498 148 L N 0.715 122.156 121.223 0.362 0.000 2.083 148 L HA -0.230 4.197 4.340 0.145 0.000 0.209 148 L C 2.632 179.415 176.870 -0.145 0.000 1.083 148 L CA 1.816 56.817 54.840 0.269 0.000 0.752 148 L CB -0.803 41.519 42.059 0.439 0.000 0.899 148 L HN -0.033 nan 8.230 nan 0.000 0.433 149 K N -0.304 119.704 120.400 -0.653 0.000 2.097 149 K HA -0.212 4.195 4.320 0.145 0.000 0.206 149 K C 2.075 178.280 176.600 -0.658 0.000 1.049 149 K CA 1.443 57.015 56.287 -1.192 0.000 0.933 149 K CB 0.084 31.573 32.500 -1.686 0.000 0.717 149 K HN 0.393 nan 8.250 nan 0.000 0.442 150 Q N -1.066 118.380 119.800 -0.589 0.000 2.163 150 Q HA -0.014 4.413 4.340 0.145 0.000 0.198 150 Q C 0.522 176.077 176.000 -0.742 0.000 0.954 150 Q CA 0.621 56.036 55.803 -0.647 0.000 0.851 150 Q CB 0.194 28.489 28.738 -0.738 0.000 0.928 150 Q HN 0.371 nan 8.270 nan 0.000 0.459 154 N N 0.103 118.848 118.700 0.075 0.000 2.106 154 N HA -0.096 4.732 4.740 0.145 0.000 0.188 154 N C 1.360 176.920 175.510 0.083 0.000 1.029 154 N CA 1.747 54.836 53.050 0.066 0.000 0.848 154 N CB -0.187 38.327 38.487 0.045 0.000 1.007 154 N HN 0.144 nan 8.380 nan 0.000 0.423 155 T N 0.254 114.875 114.554 0.111 0.000 2.708 155 T HA -0.191 4.246 4.350 0.145 0.000 0.266 155 T C 1.307 176.091 174.700 0.140 0.000 1.037 155 T CA 0.844 63.015 62.100 0.119 0.000 1.146 155 T CB -0.317 68.644 68.868 0.156 0.000 0.865 155 T HN 0.415 nan 8.240 nan 0.000 0.435 156 W N 1.370 122.669 121.300 -0.002 0.000 2.318 156 W HA -0.203 4.544 4.660 0.145 0.000 0.313 156 W C 2.782 179.283 176.519 -0.029 0.000 1.221 156 W CA 1.644 58.980 57.345 -0.015 0.000 1.266 156 W CB -0.527 28.916 29.460 -0.027 0.000 1.150 156 W HN 0.270 nan 8.180 nan 0.000 0.496 157 S N 0.596 116.364 115.700 0.114 0.000 2.419 157 S HA -0.161 4.396 4.470 0.145 0.000 0.233 157 S C 1.286 175.840 174.600 -0.076 0.000 1.016 157 S CA 1.298 59.502 58.200 0.007 0.000 0.974 157 S CB -0.455 62.773 63.200 0.046 0.000 0.786 157 S HN 0.265 nan 8.310 nan 0.000 0.492 158 N N 0.918 119.580 118.700 -0.065 0.000 2.230 158 N HA 0.153 4.981 4.740 0.145 0.000 0.202 158 N C -0.509 174.923 175.510 -0.130 0.000 1.119 158 N CA 0.040 53.044 53.050 -0.077 0.000 0.851 158 N CB 0.722 39.192 38.487 -0.028 0.000 0.990 158 N HN 0.203 nan 8.380 nan 0.000 0.497 159 V N 0.663 120.446 119.914 -0.219 0.000 2.540 159 V HA 0.082 4.289 4.120 0.145 0.000 0.297 159 V C 1.525 177.429 176.094 -0.317 0.000 1.024 159 V CA 0.504 62.635 62.300 -0.283 0.000 1.105 159 V CB 1.218 32.762 31.823 -0.465 0.000 0.938 159 V HN 0.274 nan 8.190 nan 0.000 0.482 160 G N 3.968 112.581 108.800 -0.312 0.000 2.720 160 G HA2 0.138 4.185 3.960 0.145 0.000 0.204 160 G HA3 0.138 4.185 3.960 0.145 0.000 0.204 160 G C 0.448 174.840 174.900 -0.846 0.000 1.113 160 G CA 0.015 44.809 45.100 -0.511 0.000 0.805 160 G HN 0.670 nan 8.290 nan 0.000 0.536 161 H N -0.619 118.240 119.070 -0.352 0.000 2.771 161 H HA 0.447 5.090 4.556 0.145 0.000 0.361 161 H C -1.310 173.727 175.328 -0.486 0.000 1.108 161 H CA -0.530 55.170 56.048 -0.580 0.000 1.201 161 H CB 2.229 31.504 29.762 -0.812 0.000 1.681 161 H HN -0.060 nan 8.280 nan 0.000 0.534 162 L N 3.777 124.750 121.223 -0.417 0.000 2.324 162 L HA 0.333 4.760 4.340 0.145 0.000 0.274 162 L C -0.982 175.788 176.870 -0.167 0.000 1.012 162 L CA -0.441 54.324 54.840 -0.124 0.000 0.859 162 L CB 0.450 42.554 42.059 0.075 0.000 1.224 162 L HN 0.298 nan 8.230 nan 0.000 0.429 163 F N 0.709 120.736 119.950 0.128 0.000 2.458 163 F HA 0.302 4.916 4.527 0.145 0.000 0.336 163 F C 0.619 176.593 175.800 0.290 0.000 1.114 163 F CA -0.862 57.192 58.000 0.089 0.000 0.987 163 F CB 1.515 40.556 39.000 0.068 0.000 1.130 163 F HN 0.368 nan 8.300 nan 0.000 0.458 164 D N 1.878 122.586 120.400 0.514 0.000 2.414 164 D HA 0.061 4.788 4.640 0.145 0.000 0.242 164 D C 1.192 177.712 176.300 0.368 0.000 1.129 164 D CA 0.032 54.346 54.000 0.523 0.000 0.885 164 D CB 0.930 42.018 40.800 0.481 0.000 1.198 164 D HN 0.469 nan 8.370 nan 0.000 0.437 165 L N 6.325 127.738 121.223 0.317 0.000 2.021 165 L HA -0.090 4.338 4.340 0.145 0.000 0.215 165 L C -1.149 175.882 176.870 0.267 0.000 1.074 165 L CA 2.006 57.019 54.840 0.288 0.000 0.760 165 L CB -1.277 40.933 42.059 0.251 0.000 0.889 165 L HN 0.539 nan 8.230 nan 0.000 0.433 166 P HA -0.136 nan 4.420 nan 0.000 0.215 166 P C 1.059 178.397 177.300 0.063 0.000 1.157 166 P CA 1.732 64.921 63.100 0.148 0.000 0.874 166 P CB -0.118 31.653 31.700 0.118 0.000 0.790 167 D N -1.478 118.959 120.400 0.062 0.000 2.178 167 D HA -0.152 4.576 4.640 0.145 0.000 0.201 167 D C 1.705 177.820 176.300 -0.309 0.000 0.980 167 D CA 0.837 54.821 54.000 -0.027 0.000 0.842 167 D CB -0.877 39.995 40.800 0.120 0.000 0.948 167 D HN 0.171 nan 8.370 nan 0.000 0.472 168 F N 1.565 121.259 119.950 -0.427 0.000 2.171 168 F HA -0.141 4.473 4.527 0.145 0.000 0.300 168 F C 1.993 177.548 175.800 -0.408 0.000 1.090 168 F CA 1.079 58.659 58.000 -0.700 0.000 1.293 168 F CB -0.325 38.508 39.000 -0.278 0.000 1.013 168 F HN -0.125 nan 8.300 nan 0.000 0.486 169 L N 0.195 121.151 121.223 -0.445 0.000 2.017 169 L HA -0.213 4.214 4.340 0.145 0.000 0.208 169 L C 2.718 179.038 176.870 -0.918 0.000 1.073 169 L CA 1.958 56.424 54.840 -0.623 0.000 0.745 169 L CB -1.374 40.542 42.059 -0.238 0.000 0.894 169 L HN 0.363 nan 8.230 nan 0.000 0.432 170 T N -3.564 110.600 114.554 -0.651 0.000 2.821 170 T HA -0.261 4.177 4.350 0.145 0.000 0.267 170 T C 1.489 175.913 174.700 -0.460 0.000 1.046 170 T CA 0.853 62.644 62.100 -0.515 0.000 1.139 170 T CB -0.677 68.072 68.868 -0.198 0.000 0.871 170 T HN 0.540 nan 8.240 nan 0.000 0.454 171 W N 2.383 123.260 121.300 -0.705 0.000 2.381 171 W HA 0.038 4.785 4.660 0.145 0.000 0.301 171 W C 2.560 178.624 176.519 -0.759 0.000 1.205 171 W CA 0.981 57.920 57.345 -0.677 0.000 1.285 171 W CB -0.229 28.703 29.460 -0.879 0.000 1.133 171 W HN 0.086 nan 8.180 nan 0.000 0.521 172 R N 1.011 120.820 120.500 -1.152 0.000 2.189 172 R HA -0.030 4.397 4.340 0.145 0.000 0.223 172 R C 1.980 177.503 176.300 -1.296 0.000 1.092 172 R CA 1.841 56.984 56.100 -1.594 0.000 0.989 172 R CB -0.984 28.047 30.300 -2.115 0.000 0.876 172 R HN 0.207 nan 8.270 nan 0.000 0.457 173 A N -1.404 120.875 122.820 -0.901 0.000 2.021 173 A HA -0.001 4.407 4.320 0.145 0.000 0.216 173 A C 1.788 179.200 177.584 -0.285 0.000 1.163 173 A CA 1.408 53.224 52.037 -0.367 0.000 0.676 173 A CB -0.176 18.709 19.000 -0.191 0.000 0.818 173 A HN 0.503 nan 8.150 nan 0.000 0.453 174 T N -6.078 108.241 114.554 -0.392 0.000 3.016 174 T HA 0.250 4.688 4.350 0.145 0.000 0.271 174 T C 0.699 175.201 174.700 -0.330 0.000 0.968 174 T CA 0.670 62.610 62.100 -0.267 0.000 0.891 174 T CB 0.002 68.767 68.868 -0.172 0.000 1.149 174 T HN 0.390 nan 8.240 nan 0.000 0.524 175 K N 0.442 120.497 120.400 -0.575 0.000 3.547 175 K HA -0.156 4.251 4.320 0.145 0.000 0.309 175 K C -0.448 176.013 176.600 -0.232 0.000 1.324 175 K CA 1.276 57.217 56.287 -0.575 0.000 0.988 175 K CB -1.373 30.926 32.500 -0.335 0.000 1.261 175 K HN 0.539 nan 8.250 nan 0.000 0.444 176 D N 1.359 121.672 120.400 -0.145 0.000 2.277 176 D HA 0.088 4.815 4.640 0.145 0.000 0.249 176 D C 0.554 176.978 176.300 0.207 0.000 1.134 176 D CA 0.181 54.188 54.000 0.012 0.000 0.863 176 D CB 0.903 41.667 40.800 -0.059 0.000 1.143 176 D HN 0.149 nan 8.370 nan 0.000 0.458 177 E N 1.280 121.632 120.200 0.253 0.000 2.489 177 E HA 0.021 4.458 4.350 0.145 0.000 0.193 177 E C 0.243 176.943 176.600 0.166 0.000 1.057 177 E CA 0.144 56.722 56.400 0.296 0.000 0.866 177 E CB 0.299 30.135 29.700 0.226 0.000 0.916 177 E HN 0.416 nan 8.360 nan 0.000 0.500 178 T N 2.407 117.008 114.554 0.079 0.000 2.933 178 T HA 0.024 4.461 4.350 0.145 0.000 0.306 178 T C 0.425 175.127 174.700 0.003 0.000 1.045 178 T CA 0.189 62.296 62.100 0.012 0.000 1.143 178 T CB 0.463 69.319 68.868 -0.020 0.000 1.003 178 T HN -0.024 nan 8.240 nan 0.000 0.540 179 R N 1.626 122.086 120.500 -0.067 0.000 2.674 179 R HA 0.544 4.971 4.340 0.145 0.000 0.266 179 R C 0.349 176.550 176.300 -0.166 0.000 1.016 179 R CA -0.753 55.278 56.100 -0.115 0.000 1.062 179 R CB 1.000 31.176 30.300 -0.207 0.000 1.142 179 R HN 0.597 nan 8.270 nan 0.000 0.517 180 S N 0.149 115.752 115.700 -0.162 0.000 2.554 180 S HA 0.213 4.770 4.470 0.145 0.000 0.278 180 S C 1.476 175.936 174.600 -0.232 0.000 1.242 180 S CA -0.615 57.490 58.200 -0.158 0.000 1.051 180 S CB 0.564 63.704 63.200 -0.100 0.000 0.986 180 S HN 0.533 nan 8.310 nan 0.000 0.502 181 L N 3.295 124.392 121.223 -0.210 0.000 2.275 181 L HA -0.041 4.386 4.340 0.145 0.000 0.215 181 L C 2.530 179.300 176.870 -0.168 0.000 1.119 181 L CA 0.704 55.418 54.840 -0.210 0.000 0.790 181 L CB -0.461 41.513 42.059 -0.142 0.000 0.919 181 L HN 0.869 nan 8.230 nan 0.000 0.443 182 C N -0.927 118.276 119.300 -0.160 0.000 2.496 182 C HA -0.143 4.405 4.460 0.145 0.000 0.281 182 C C 3.158 178.026 174.990 -0.203 0.000 1.250 182 C CA 1.400 60.300 59.018 -0.198 0.000 1.717 182 C CB -0.419 27.195 27.740 -0.211 0.000 2.082 182 C HN 0.506 nan 8.230 nan 0.000 0.472 183 S N 0.530 116.148 115.700 -0.136 0.000 2.359 183 S HA -0.209 4.349 4.470 0.145 0.000 0.224 183 S C 1.966 176.617 174.600 0.085 0.000 1.035 183 S CA 2.424 60.617 58.200 -0.010 0.000 1.018 183 S CB -0.771 62.440 63.200 0.019 0.000 0.876 183 S HN 0.932 nan 8.310 nan 0.000 0.448 184 T N 0.335 114.831 114.554 -0.097 0.000 2.737 184 T HA -0.029 4.408 4.350 0.145 0.000 0.265 184 T C 1.801 176.576 174.700 0.124 0.000 1.038 184 T CA 1.420 63.491 62.100 -0.048 0.000 1.144 184 T CB -0.820 67.763 68.868 -0.475 0.000 0.866 184 T HN 0.194 nan 8.240 nan 0.000 0.434 185 V N 0.918 120.828 119.914 -0.007 0.000 2.358 185 V HA -0.130 4.077 4.120 0.145 0.000 0.246 185 V C 3.149 179.159 176.094 -0.140 0.000 1.047 185 V CA 1.485 63.789 62.300 0.007 0.000 1.035 185 V CB -0.899 30.920 31.823 -0.007 0.000 0.658 185 V HN 0.661 nan 8.190 nan 0.000 0.452 186 C N -0.263 118.835 119.300 -0.338 0.000 2.466 186 C HA 0.012 4.560 4.460 0.145 0.000 0.278 186 C C 2.338 177.204 174.990 -0.207 0.000 1.288 186 C CA 0.557 59.184 59.018 -0.651 0.000 1.722 186 C CB -0.630 26.788 27.740 -0.537 0.000 2.017 186 C HN 0.475 nan 8.230 nan 0.000 0.488 187 K N -1.881 118.544 120.400 0.040 0.000 2.440 187 K HA 0.110 4.517 4.320 0.145 0.000 0.207 187 K C 0.566 177.239 176.600 0.122 0.000 1.112 187 K CA 0.288 56.624 56.287 0.082 0.000 1.036 187 K CB 0.078 32.644 32.500 0.110 0.000 0.935 187 K HN 0.557 nan 8.250 nan 0.000 0.564 188 W N 1.680 123.070 121.300 0.150 0.000 2.870 188 W HA 0.027 4.774 4.660 0.145 0.000 0.358 188 W C 0.597 177.369 176.519 0.421 0.000 1.043 188 W CA 0.657 58.201 57.345 0.331 0.000 1.692 188 W CB 0.240 30.034 29.460 0.555 0.000 1.100 188 W HN 0.215 nan 8.180 nan 0.000 0.557 189 T N -4.324 110.475 114.554 0.410 0.000 5.979 189 T HA -0.352 4.086 4.350 0.145 0.000 0.273 189 T C 0.094 174.963 174.700 0.282 0.000 2.195 189 T CA 0.577 62.811 62.100 0.223 0.000 3.693 189 T CB -2.613 66.187 68.868 -0.112 0.000 0.944 189 T HN 0.149 nan 8.240 nan 0.000 1.117 190 Y N 2.466 122.869 120.300 0.173 0.000 2.810 190 Y HA 0.428 5.065 4.550 0.145 0.000 0.332 190 Y C 0.863 176.633 175.900 -0.217 0.000 1.243 190 Y CA -0.140 57.808 58.100 -0.253 0.000 1.537 190 Y CB 0.338 38.373 38.460 -0.708 0.000 1.265 190 Y HN 0.494 nan 8.280 nan 0.000 0.572 191 L N 7.489 128.296 121.223 -0.693 0.000 2.334 191 L HA 0.202 4.629 4.340 0.145 0.000 0.286 191 L C 1.493 178.001 176.870 -0.602 0.000 1.108 191 L CA 0.172 54.637 54.840 -0.625 0.000 0.875 191 L CB 0.346 42.017 42.059 -0.645 0.000 1.246 191 L HN 1.009 nan 8.230 nan 0.000 0.439 192 G N 1.780 110.458 108.800 -0.204 0.000 2.432 192 G HA2 -0.243 3.804 3.960 0.145 0.000 0.219 192 G HA3 -0.243 3.804 3.960 0.145 0.000 0.219 192 G C 1.337 176.259 174.900 0.036 0.000 1.135 192 G CA 0.559 45.673 45.100 0.023 0.000 0.767 192 G HN 0.867 nan 8.290 nan 0.000 0.550 193 H N -0.589 118.419 119.070 -0.103 0.000 2.548 193 H HA 0.254 4.897 4.556 0.145 0.000 0.265 193 H C 1.224 176.460 175.328 -0.153 0.000 0.969 193 H CA 0.938 56.825 56.048 -0.269 0.000 1.155 193 H CB 0.247 29.812 29.762 -0.328 0.000 1.394 193 H HN 0.472 nan 8.280 nan 0.000 0.570 194 E N 0.207 120.133 120.200 -0.457 0.000 2.539 194 E HA 0.019 4.456 4.350 0.145 0.000 0.215 194 E C -0.493 175.951 176.600 -0.259 0.000 0.965 194 E CA 0.030 56.252 56.400 -0.297 0.000 1.019 194 E CB 0.686 30.194 29.700 -0.321 0.000 1.059 194 E HN 0.204 nan 8.360 nan 0.000 0.496 195 D N 1.474 121.688 120.400 -0.310 0.000 2.705 195 D HA -0.176 4.551 4.640 0.145 0.000 0.240 195 D C -0.832 175.274 176.300 -0.324 0.000 1.137 195 D CA 1.134 55.018 54.000 -0.195 0.000 0.677 195 D CB -0.721 40.060 40.800 -0.032 0.000 1.049 195 D HN 0.371 nan 8.370 nan 0.000 0.427 196 R N -1.447 118.523 120.500 -0.885 0.000 2.690 196 R HA 0.610 5.037 4.340 0.145 0.000 0.269 196 R C -0.995 174.718 176.300 -0.979 0.000 1.037 196 R CA -1.217 54.482 56.100 -0.670 0.000 0.877 196 R CB 0.346 30.499 30.300 -0.245 0.000 1.255 196 R HN 0.012 nan 8.270 nan 0.000 0.467 197 W N 1.130 122.320 121.300 -0.182 0.000 2.202 197 W HA 0.196 4.943 4.660 0.145 0.000 0.332 197 W C 0.248 176.805 176.519 0.063 0.000 1.263 197 W CA 0.083 57.448 57.345 0.034 0.000 1.223 197 W CB 0.636 30.114 29.460 0.030 0.000 1.128 197 W HN 0.419 nan 8.180 nan 0.000 0.573 198 D N 3.367 124.054 120.400 0.478 0.000 2.380 198 D HA 0.168 4.895 4.640 0.145 0.000 0.230 198 D C -1.583 175.005 176.300 0.480 0.000 1.154 198 D CA -2.280 51.944 54.000 0.374 0.000 0.859 198 D CB 1.547 42.544 40.800 0.328 0.000 1.045 198 D HN -0.013 nan 8.370 nan 0.000 0.495 199 P HA -0.137 nan 4.420 nan 0.000 0.218 199 P C 1.419 178.884 177.300 0.275 0.000 1.149 199 P CA 1.000 64.266 63.100 0.277 0.000 0.817 199 P CB 0.171 31.970 31.700 0.164 0.000 0.785 200 S N -1.720 114.147 115.700 0.277 0.000 2.382 200 S HA -0.237 4.321 4.470 0.145 0.000 0.228 200 S C 2.095 176.827 174.600 0.221 0.000 1.027 200 S CA 0.803 59.170 58.200 0.277 0.000 0.991 200 S CB -1.709 61.706 63.200 0.358 0.000 0.823 200 S HN 0.109 nan 8.310 nan 0.000 0.469 201 Y N 1.757 122.013 120.300 -0.073 0.000 2.114 201 Y HA -0.018 4.619 4.550 0.146 0.000 0.284 201 Y C 1.825 177.589 175.900 -0.226 0.000 1.143 201 Y CA 1.386 59.170 58.100 -0.526 0.000 1.135 201 Y CB -0.813 37.198 38.460 -0.749 0.000 0.980 201 Y HN 0.245 nan 8.280 nan 0.000 0.499 202 F N 0.741 120.607 119.950 -0.140 0.000 2.161 202 F HA -0.189 4.425 4.527 0.145 0.000 0.300 202 F C 2.300 177.995 175.800 -0.175 0.000 1.089 202 F CA 1.920 59.803 58.000 -0.196 0.000 1.282 202 F CB -0.375 38.606 39.000 -0.032 0.000 1.010 202 F HN -0.026 nan 8.300 nan 0.000 0.485 203 K N -0.263 120.188 120.400 0.084 0.000 2.097 203 K HA -0.141 4.267 4.320 0.145 0.000 0.205 203 K C 1.907 178.487 176.600 -0.033 0.000 1.050 203 K CA 1.061 57.370 56.287 0.036 0.000 0.938 203 K CB -0.430 32.111 32.500 0.067 0.000 0.718 203 K HN 0.161 nan 8.250 nan 0.000 0.442 204 L N 0.814 121.997 121.223 -0.067 0.000 2.217 204 L HA -0.080 4.348 4.340 0.145 0.000 0.211 204 L C 1.744 178.518 176.870 -0.161 0.000 1.107 204 L CA 1.080 55.879 54.840 -0.067 0.000 0.783 204 L CB 0.150 42.226 42.059 0.027 0.000 0.919 204 L HN 0.043 nan 8.230 nan 0.000 0.442 205 V N -3.490 116.229 119.914 -0.326 0.000 3.647 205 V HA 0.514 4.722 4.120 0.145 0.000 0.279 205 V C 1.303 177.262 176.094 -0.226 0.000 1.314 205 V CA 0.297 62.393 62.300 -0.339 0.000 1.125 205 V CB -0.645 30.813 31.823 -0.608 0.000 0.907 205 V HN 0.487 nan 8.190 nan 0.000 0.434 206 G N 1.113 109.816 108.800 -0.161 0.000 2.165 206 G HA2 -0.200 3.848 3.960 0.145 0.000 0.226 206 G HA3 -0.200 3.848 3.960 0.145 0.000 0.226 206 G C 0.072 174.920 174.900 -0.086 0.000 1.035 206 G CA 0.361 45.393 45.100 -0.113 0.000 0.744 206 G HN 0.591 nan 8.290 nan 0.000 0.501 207 L N -0.519 120.688 121.223 -0.025 0.000 3.168 207 L HA 0.443 4.870 4.340 0.145 0.000 0.277 207 L C 2.381 179.369 176.870 0.197 0.000 1.245 207 L CA 0.341 55.255 54.840 0.125 0.000 1.035 207 L CB 0.142 42.320 42.059 0.198 0.000 1.399 207 L HN 0.287 nan 8.230 nan 0.000 0.580 208 A N 1.088 123.976 122.820 0.114 0.000 1.948 208 A HA -0.268 4.140 4.320 0.145 0.000 0.220 208 A C 1.883 179.497 177.584 0.051 0.000 1.177 208 A CA 2.293 54.384 52.037 0.090 0.000 0.636 208 A CB -0.366 18.667 19.000 0.054 0.000 0.815 208 A HN 0.626 nan 8.150 nan 0.000 0.449 209 D N 0.424 120.874 120.400 0.084 0.000 2.263 209 D HA -0.151 4.576 4.640 0.145 0.000 0.208 209 D C 1.554 177.841 176.300 -0.021 0.000 0.971 209 D CA 0.879 54.911 54.000 0.053 0.000 0.867 209 D CB -0.781 40.092 40.800 0.121 0.000 0.929 209 D HN 0.508 nan 8.370 nan 0.000 0.492 210 L N -0.342 120.872 121.223 -0.014 0.000 2.265 210 L HA -0.040 4.388 4.340 0.145 0.000 0.215 210 L C 2.238 178.922 176.870 -0.310 0.000 1.117 210 L CA 0.623 55.365 54.840 -0.163 0.000 0.782 210 L CB -0.262 41.720 42.059 -0.129 0.000 0.914 210 L HN 0.097 nan 8.230 nan 0.000 0.441 211 L N -1.221 119.835 121.223 -0.278 0.000 2.558 211 L HA 0.040 4.467 4.340 0.145 0.000 0.225 211 L C 0.286 177.067 176.870 -0.149 0.000 1.128 211 L CA -0.233 54.445 54.840 -0.270 0.000 0.868 211 L CB -0.355 41.568 42.059 -0.227 0.000 1.006 211 L HN 0.156 nan 8.230 nan 0.000 0.454 212 D N 1.196 121.522 120.400 -0.123 0.000 2.419 212 D HA -0.044 4.684 4.640 0.145 0.000 0.236 212 D C 0.556 176.799 176.300 -0.095 0.000 1.165 212 D CA 0.392 54.339 54.000 -0.089 0.000 0.882 212 D CB 0.163 40.914 40.800 -0.081 0.000 1.201 212 D HN 0.040 nan 8.370 nan 0.000 0.443 213 N N 1.974 120.633 118.700 -0.069 0.000 2.725 213 N HA -0.264 4.563 4.740 0.145 0.000 0.251 213 N C -0.335 175.142 175.510 -0.055 0.000 1.031 213 N CA 0.623 53.635 53.050 -0.062 0.000 0.720 213 N CB -1.160 37.279 38.487 -0.080 0.000 0.930 213 N HN 0.531 nan 8.380 nan 0.000 0.543 214 N N -1.152 117.526 118.700 -0.037 0.000 2.747 214 N HA -0.253 4.574 4.740 0.145 0.000 0.249 214 N C 0.354 175.856 175.510 -0.015 0.000 1.107 214 N CA 2.028 55.072 53.050 -0.010 0.000 0.707 214 N CB -1.354 37.133 38.487 0.000 0.000 1.054 214 N HN 1.069 nan 8.380 nan 0.000 0.555 215 A N -2.462 120.311 122.820 -0.077 0.000 2.869 215 A HA -0.126 4.281 4.320 0.145 0.000 0.280 215 A C 1.891 179.386 177.584 -0.149 0.000 1.458 215 A CA 1.923 53.868 52.037 -0.154 0.000 0.776 215 A CB -2.041 16.890 19.000 -0.115 0.000 1.028 215 A HN 1.525 nan 8.150 nan 0.000 0.547 216 A N -0.304 122.430 122.820 -0.143 0.000 1.917 216 A HA -0.206 4.201 4.320 0.145 0.000 0.219 216 A C 1.952 179.392 177.584 -0.240 0.000 1.182 216 A CA 2.060 54.004 52.037 -0.155 0.000 0.633 216 A CB -0.427 18.481 19.000 -0.153 0.000 0.819 216 A HN 0.801 nan 8.150 nan 0.000 0.448 217 K N -0.567 119.653 120.400 -0.300 0.000 2.148 217 K HA -0.032 4.376 4.320 0.145 0.000 0.204 217 K C 1.625 177.998 176.600 -0.377 0.000 1.050 217 K CA 1.587 57.648 56.287 -0.376 0.000 0.942 217 K CB -0.261 32.012 32.500 -0.379 0.000 0.724 217 K HN 0.853 nan 8.250 nan 0.000 0.446 218 I N -4.622 115.742 120.570 -0.343 0.000 4.139 218 I HA 0.326 4.584 4.170 0.145 0.000 0.335 218 I C 0.159 176.131 176.117 -0.241 0.000 1.327 218 I CA -0.268 60.807 61.300 -0.375 0.000 1.112 218 I CB 1.250 38.976 38.000 -0.457 0.000 1.058 218 I HN 0.004 nan 8.210 nan 0.000 0.396 219 G N 1.702 110.438 108.800 -0.107 0.000 2.588 219 G HA2 0.251 4.298 3.960 0.145 0.000 0.239 219 G HA3 0.251 4.298 3.960 0.145 0.000 0.239 219 G C 0.084 175.065 174.900 0.136 0.000 1.275 219 G CA -0.227 44.887 45.100 0.023 0.000 1.181 219 G HN 0.293 nan 8.290 nan 0.000 0.595 220 A N 1.163 124.006 122.820 0.038 0.000 2.072 220 A HA 0.576 4.983 4.320 0.145 0.000 0.216 220 A C 1.331 178.932 177.584 0.028 0.000 1.156 220 A CA 1.930 53.997 52.037 0.051 0.000 0.701 220 A CB 0.288 19.296 19.000 0.013 0.000 0.816 220 A HN 1.224 nan 8.150 nan 0.000 0.458 221 T N -0.487 114.058 114.554 -0.015 0.000 2.893 221 T HA 0.572 5.010 4.350 0.145 0.000 0.293 221 T C -1.101 173.521 174.700 -0.130 0.000 1.027 221 T CA -0.422 61.647 62.100 -0.052 0.000 0.988 221 T CB 2.007 70.856 68.868 -0.031 0.000 1.043 221 T HN -0.005 nan 8.240 nan 0.000 0.461 222 V N 3.032 122.831 119.914 -0.192 0.000 2.577 222 V HA 0.573 4.781 4.120 0.145 0.000 0.303 222 V C -0.376 175.600 176.094 -0.196 0.000 1.042 222 V CA -0.869 61.245 62.300 -0.310 0.000 0.872 222 V CB 1.904 33.309 31.823 -0.696 0.000 0.998 222 V HN 0.757 nan 8.190 nan 0.000 0.423 223 K N 4.292 124.597 120.400 -0.158 0.000 2.395 223 K HA 0.698 5.105 4.320 0.145 0.000 0.245 223 K C -2.769 173.774 176.600 -0.095 0.000 1.017 223 K CA -1.899 54.328 56.287 -0.099 0.000 0.852 223 K CB 2.685 35.145 32.500 -0.066 0.000 1.311 223 K HN 0.350 nan 8.250 nan 0.000 0.452 227 A N 1.469 124.292 122.820 0.004 0.000 2.425 227 A HA 0.690 5.098 4.320 0.145 0.000 0.249 227 A C -2.381 175.212 177.584 0.015 0.000 1.084 227 A CA -0.803 51.237 52.037 0.006 0.000 0.781 227 A CB 0.164 19.159 19.000 -0.008 0.000 1.019 227 A HN 0.112 nan 8.150 nan 0.000 0.490 228 P HA 0.476 nan 4.420 nan 0.000 0.284 228 P C -0.983 176.319 177.300 0.003 0.000 1.253 228 P CA -0.187 62.928 63.100 0.025 0.000 0.800 228 P CB 0.779 32.498 31.700 0.032 0.000 0.961 229 L N 2.181 123.404 121.223 -0.001 0.000 2.317 229 L HA 0.570 4.997 4.340 0.145 0.000 0.281 229 L C 1.393 178.219 176.870 -0.073 0.000 1.024 229 L CA -0.130 54.690 54.840 -0.034 0.000 0.810 229 L CB 1.039 43.081 42.059 -0.028 0.000 1.240 229 L HN 0.704 nan 8.230 nan 0.000 0.427 230 G N 1.946 110.662 108.800 -0.140 0.000 2.611 230 G HA2 -0.360 3.687 3.960 0.145 0.000 0.301 230 G HA3 -0.360 3.687 3.960 0.145 0.000 0.301 230 G C 0.169 174.863 174.900 -0.342 0.000 1.233 230 G CA 0.435 45.365 45.100 -0.283 0.000 0.993 230 G HN 0.835 nan 8.290 nan 0.000 0.553 231 H N 1.441 120.500 119.070 -0.019 0.000 2.490 231 H HA 0.499 5.142 4.556 0.145 0.000 0.285 231 H C 1.168 176.490 175.328 -0.009 0.000 1.127 231 H CA 0.557 56.598 56.048 -0.012 0.000 0.993 231 H CB 0.030 29.782 29.762 -0.016 0.000 1.653 231 H HN 1.652 nan 8.280 nan 0.000 0.557 232 G N 0.639 109.476 108.800 0.062 0.000 2.642 232 G HA2 -0.294 3.753 3.960 0.145 0.000 0.231 232 G HA3 -0.294 3.753 3.960 0.145 0.000 0.231 232 G C -0.672 174.249 174.900 0.035 0.000 1.338 232 G CA -0.865 44.267 45.100 0.053 0.000 0.883 232 G HN 0.225 nan 8.290 nan 0.000 0.570 233 L N 1.314 122.565 121.223 0.047 0.000 2.540 233 L HA 0.432 4.859 4.340 0.145 0.000 0.276 233 L C 1.782 178.658 176.870 0.010 0.000 1.212 233 L CA 1.064 55.929 54.840 0.041 0.000 0.893 233 L CB 0.497 42.593 42.059 0.063 0.000 1.138 233 L HN 1.371 nan 8.230 nan 0.000 0.491 234 S N 3.012 118.695 115.700 -0.029 0.000 2.600 234 S HA 0.089 4.646 4.470 0.145 0.000 0.265 234 S C 0.865 175.452 174.600 -0.022 0.000 1.325 234 S CA -0.021 58.149 58.200 -0.049 0.000 1.002 234 S CB 0.695 63.818 63.200 -0.129 0.000 0.921 234 S HN 0.743 nan 8.310 nan 0.000 0.554 235 Q N 0.646 120.431 119.800 -0.024 0.000 2.084 235 Q HA -0.174 4.253 4.340 0.145 0.000 0.202 235 Q C 2.452 178.448 176.000 -0.007 0.000 0.978 235 Q CA 1.538 57.333 55.803 -0.012 0.000 0.844 235 Q CB -0.135 28.594 28.738 -0.015 0.000 0.898 235 Q HN 0.832 nan 8.270 nan 0.000 0.426 236 R N -0.418 120.068 120.500 -0.024 0.000 2.070 236 R HA -0.167 4.260 4.340 0.145 0.000 0.233 236 R C 2.168 178.491 176.300 0.038 0.000 1.137 236 R CA 1.381 57.475 56.100 -0.010 0.000 0.945 236 R CB -0.384 29.885 30.300 -0.052 0.000 0.845 236 R HN 0.314 nan 8.270 nan 0.000 0.430 237 A N 0.835 123.679 122.820 0.039 0.000 1.883 237 A HA -0.169 4.238 4.320 0.145 0.000 0.217 237 A C 2.396 180.060 177.584 0.132 0.000 1.186 237 A CA 1.944 54.080 52.037 0.166 0.000 0.624 237 A CB -0.982 18.108 19.000 0.149 0.000 0.822 237 A HN 0.573 nan 8.150 nan 0.000 0.444 238 A N -0.632 122.230 122.820 0.070 0.000 1.892 238 A HA -0.193 4.214 4.320 0.145 0.000 0.218 238 A C 2.519 180.121 177.584 0.029 0.000 1.188 238 A CA 2.541 54.603 52.037 0.042 0.000 0.631 238 A CB -1.174 17.840 19.000 0.023 0.000 0.822 238 A HN 0.716 nan 8.150 nan 0.000 0.447 239 S N -0.277 115.441 115.700 0.030 0.000 2.370 239 S HA -0.151 4.406 4.470 0.145 0.000 0.226 239 S C 1.017 175.633 174.600 0.026 0.000 1.033 239 S CA 1.344 59.557 58.200 0.022 0.000 1.011 239 S CB -0.406 62.808 63.200 0.023 0.000 0.852 239 S HN 0.685 nan 8.310 nan 0.000 0.457 243 L N -0.020 121.192 121.223 -0.018 0.000 2.391 243 L HA 0.658 5.086 4.340 0.145 0.000 0.266 243 L C -0.065 176.799 176.870 -0.009 0.000 1.035 243 L CA -1.467 53.363 54.840 -0.017 0.000 0.877 243 L CB 1.373 43.429 42.059 -0.006 0.000 1.504 243 L HN -0.109 nan 8.230 nan 0.000 0.503 244 I N 1.477 122.041 120.570 -0.009 0.000 2.331 244 I HA 0.285 4.542 4.170 0.145 0.000 0.292 244 I C -2.166 173.953 176.117 0.003 0.000 0.998 244 I CA -2.532 58.763 61.300 -0.008 0.000 1.267 244 I CB 0.672 38.662 38.000 -0.016 0.000 1.386 244 I HN 0.126 nan 8.210 nan 0.000 0.476 245 P HA 0.166 nan 4.420 nan 0.000 0.265 245 P C 0.900 178.207 177.300 0.011 0.000 1.187 245 P CA 0.722 63.827 63.100 0.009 0.000 0.766 245 P CB 0.639 32.340 31.700 0.001 0.000 0.820 246 G N 1.424 110.238 108.800 0.023 0.000 2.234 246 G HA2 -0.232 3.815 3.960 0.145 0.000 0.235 246 G HA3 -0.232 3.815 3.960 0.145 0.000 0.235 246 G C 0.315 175.235 174.900 0.034 0.000 0.997 246 G CA 0.059 45.178 45.100 0.032 0.000 0.623 246 G HN 0.611 nan 8.290 nan 0.000 0.514 247 T N 2.606 117.177 114.554 0.028 0.000 2.822 247 T HA 0.439 4.876 4.350 0.145 0.000 0.288 247 T C 1.054 175.787 174.700 0.054 0.000 0.991 247 T CA 0.629 62.745 62.100 0.027 0.000 1.176 247 T CB 0.975 69.853 68.868 0.017 0.000 0.951 247 T HN 1.503 nan 8.240 nan 0.000 0.526 248 A N 3.792 126.647 122.820 0.059 0.000 2.520 248 A HA 0.422 4.829 4.320 0.145 0.000 0.235 248 A C 0.098 177.746 177.584 0.106 0.000 1.065 248 A CA -0.312 51.773 52.037 0.081 0.000 0.764 248 A CB 0.225 19.279 19.000 0.090 0.000 1.002 248 A HN 0.705 nan 8.150 nan 0.000 0.502 249 V N 2.227 122.207 119.914 0.110 0.000 2.569 249 V HA 0.373 4.580 4.120 0.145 0.000 0.301 249 V C 0.385 176.553 176.094 0.124 0.000 1.044 249 V CA -0.406 61.987 62.300 0.155 0.000 0.874 249 V CB 1.558 33.489 31.823 0.180 0.000 1.002 249 V HN 1.092 nan 8.190 nan 0.000 0.424 250 S N 3.536 119.317 115.700 0.134 0.000 2.603 250 S HA 0.478 5.035 4.470 0.145 0.000 0.268 250 S C 0.234 174.891 174.600 0.095 0.000 1.317 250 S CA -0.332 57.924 58.200 0.093 0.000 1.012 250 S CB 1.324 64.568 63.200 0.074 0.000 0.926 250 S HN 0.536 nan 8.310 nan 0.000 0.539 251 V N 4.185 124.127 119.914 0.046 0.000 2.928 251 V HA 0.094 4.301 4.120 0.145 0.000 0.307 251 V C 1.074 177.196 176.094 0.047 0.000 1.105 251 V CA 0.538 62.852 62.300 0.024 0.000 1.223 251 V CB 0.488 32.303 31.823 -0.012 0.000 0.930 251 V HN 1.061 nan 8.190 nan 0.000 0.499 252 S N 5.338 121.063 115.700 0.041 0.000 2.641 252 S HA 0.697 5.254 4.470 0.145 0.000 0.261 252 S C -0.398 174.222 174.600 0.032 0.000 1.257 252 S CA -0.435 57.809 58.200 0.073 0.000 0.983 252 S CB 1.329 64.568 63.200 0.066 0.000 0.990 252 S HN 0.724 nan 8.310 nan 0.000 0.572 253 I N -0.521 120.077 120.570 0.046 0.000 2.908 253 I HA 0.419 4.676 4.170 0.145 0.000 0.300 253 I C -1.309 174.815 176.117 0.012 0.000 1.385 253 I CA -1.299 60.002 61.300 0.002 0.000 1.004 253 I CB 1.790 39.797 38.000 0.011 0.000 1.309 253 I HN 0.760 nan 8.210 nan 0.000 0.449 254 I N 4.628 125.159 120.570 -0.064 0.000 2.754 254 I HA 0.020 4.277 4.170 0.145 0.000 0.285 254 I C 0.968 177.130 176.117 0.074 0.000 1.166 254 I CA -0.020 61.263 61.300 -0.029 0.000 1.417 254 I CB 0.571 38.461 38.000 -0.183 0.000 1.382 254 I HN 0.680 nan 8.210 nan 0.000 0.588 255 D N 4.907 125.348 120.400 0.069 0.000 2.092 255 D HA -0.234 4.493 4.640 0.145 0.000 0.193 255 D C 1.873 178.211 176.300 0.063 0.000 0.994 255 D CA 1.744 55.777 54.000 0.055 0.000 0.828 255 D CB -0.482 40.330 40.800 0.020 0.000 0.963 255 D HN 0.603 nan 8.370 nan 0.000 0.450 256 A N 0.641 123.512 122.820 0.085 0.000 1.908 256 A HA -0.238 4.169 4.320 0.145 0.000 0.218 256 A C 2.065 179.655 177.584 0.010 0.000 1.181 256 A CA 2.011 54.063 52.037 0.024 0.000 0.627 256 A CB -1.121 17.872 19.000 -0.011 0.000 0.818 256 A HN 0.378 nan 8.150 nan 0.000 0.445 257 H N -0.164 118.892 119.070 -0.023 0.000 2.389 257 H HA 0.135 4.779 4.556 0.146 0.000 0.299 257 H C 2.419 177.725 175.328 -0.037 0.000 1.081 257 H CA 1.177 57.212 56.048 -0.022 0.000 1.345 257 H CB -0.555 29.200 29.762 -0.012 0.000 1.393 257 H HN 0.503 nan 8.280 nan 0.000 0.520 258 A N 0.710 123.588 122.820 0.096 0.000 1.917 258 A HA -0.191 4.217 4.320 0.145 0.000 0.219 258 A C 2.760 180.328 177.584 -0.026 0.000 1.182 258 A CA 1.906 53.955 52.037 0.020 0.000 0.633 258 A CB -1.388 17.623 19.000 0.019 0.000 0.819 258 A HN 0.523 nan 8.150 nan 0.000 0.448 259 G N -1.328 107.455 108.800 -0.029 0.000 2.440 259 G HA2 -0.176 3.871 3.960 0.145 0.000 0.218 259 G HA3 -0.176 3.871 3.960 0.145 0.000 0.218 259 G C 1.567 176.420 174.900 -0.079 0.000 1.154 259 G CA 1.676 46.740 45.100 -0.059 0.000 0.767 259 G HN 0.450 nan 8.290 nan 0.000 0.552 260 T N 1.262 115.767 114.554 -0.082 0.000 2.746 260 T HA -0.038 4.399 4.350 0.145 0.000 0.267 260 T C 2.352 176.998 174.700 -0.090 0.000 1.039 260 T CA 0.898 62.941 62.100 -0.095 0.000 1.142 260 T CB -0.123 68.679 68.868 -0.109 0.000 0.866 260 T HN 0.246 nan 8.240 nan 0.000 0.444 261 I N 1.104 121.627 120.570 -0.077 0.000 2.315 261 I HA -0.081 4.176 4.170 0.145 0.000 0.248 261 I C 2.884 178.929 176.117 -0.120 0.000 1.117 261 I CA 1.121 62.364 61.300 -0.095 0.000 1.404 261 I CB -0.685 37.266 38.000 -0.081 0.000 1.071 261 I HN 0.316 nan 8.210 nan 0.000 0.419 262 G N 1.492 110.221 108.800 -0.117 0.000 2.462 262 G HA2 -0.211 3.836 3.960 0.145 0.000 0.220 262 G HA3 -0.211 3.836 3.960 0.145 0.000 0.220 262 G C 1.551 176.378 174.900 -0.121 0.000 1.121 262 G CA 1.219 46.237 45.100 -0.135 0.000 0.758 262 G HN 0.636 nan 8.290 nan 0.000 0.559 263 I N -3.976 116.530 120.570 -0.107 0.000 4.624 263 I HA 0.418 4.675 4.170 0.145 0.000 0.327 263 I C 1.962 178.022 176.117 -0.094 0.000 1.295 263 I CA -0.207 61.035 61.300 -0.096 0.000 1.267 263 I CB 0.135 38.083 38.000 -0.087 0.000 1.249 263 I HN -0.052 nan 8.210 nan 0.000 0.440 264 L N 2.524 123.687 121.223 -0.100 0.000 2.201 264 L HA 0.250 4.677 4.340 0.145 0.000 0.212 264 L C 1.856 178.668 176.870 -0.097 0.000 1.105 264 L CA 1.995 56.778 54.840 -0.096 0.000 0.775 264 L CB -0.480 41.517 42.059 -0.104 0.000 0.913 264 L HN 0.387 nan 8.230 nan 0.000 0.440 265 G N -1.279 107.456 108.800 -0.109 0.000 3.707 265 G HA2 0.413 4.460 3.960 0.145 0.000 0.286 265 G HA3 0.413 4.460 3.960 0.145 0.000 0.286 265 G C 0.241 175.080 174.900 -0.102 0.000 1.112 265 G CA 0.249 45.284 45.100 -0.108 0.000 0.861 265 G HN 0.452 nan 8.290 nan 0.000 0.534 266 A N 0.801 123.567 122.820 -0.091 0.000 2.404 266 A HA 0.642 5.049 4.320 0.145 0.000 0.273 266 A C 1.077 178.623 177.584 -0.064 0.000 1.144 266 A CA 0.269 52.258 52.037 -0.081 0.000 0.806 266 A CB -0.137 18.820 19.000 -0.072 0.000 1.080 266 A HN 1.129 nan 8.150 nan 0.000 0.509 278 R N 0.055 120.609 120.500 0.090 0.000 2.254 278 R HA 0.401 4.828 4.340 0.145 0.000 0.195 278 R C 0.551 176.879 176.300 0.047 0.000 0.957 278 R CA -0.050 56.087 56.100 0.062 0.000 1.024 278 R CB 0.404 30.725 30.300 0.035 0.000 0.952 278 R HN 0.084 nan 8.270 nan 0.000 0.484 279 R N 0.732 121.259 120.500 0.044 0.000 2.778 279 R HA 0.522 4.949 4.340 0.145 0.000 0.277 279 R C -1.079 175.218 176.300 -0.005 0.000 0.977 279 R CA -0.782 55.322 56.100 0.006 0.000 0.950 279 R CB 2.406 32.697 30.300 -0.016 0.000 1.165 279 R HN 0.029 nan 8.270 nan 0.000 0.474 280 I N 0.662 121.212 120.570 -0.035 0.000 2.608 280 I HA 0.562 4.820 4.170 0.145 0.000 0.295 280 I C -1.058 175.017 176.117 -0.070 0.000 1.049 280 I CA -0.754 60.510 61.300 -0.060 0.000 1.063 280 I CB 1.937 39.898 38.000 -0.064 0.000 1.248 280 I HN 0.769 nan 8.210 nan 0.000 0.424 281 A N 7.367 130.134 122.820 -0.089 0.000 2.292 281 A HA 0.706 5.113 4.320 0.145 0.000 0.319 281 A C -1.352 176.136 177.584 -0.160 0.000 1.206 281 A CA -0.439 51.531 52.037 -0.112 0.000 0.835 281 A CB 0.866 19.799 19.000 -0.112 0.000 1.164 281 A HN 0.560 nan 8.150 nan 0.000 0.505 282 L N 4.093 125.205 121.223 -0.185 0.000 2.295 282 L HA 0.344 4.771 4.340 0.145 0.000 0.281 282 L C -0.570 176.167 176.870 -0.221 0.000 1.018 282 L CA 0.002 54.672 54.840 -0.285 0.000 0.841 282 L CB 1.317 43.209 42.059 -0.277 0.000 1.218 282 L HN 0.517 nan 8.230 nan 0.000 0.424 283 I N 3.383 123.821 120.570 -0.219 0.000 2.281 283 I HA 0.338 4.595 4.170 0.145 0.000 0.293 283 I C 1.028 177.052 176.117 -0.156 0.000 1.085 283 I CA -0.052 61.151 61.300 -0.162 0.000 1.257 283 I CB 0.357 38.273 38.000 -0.140 0.000 1.430 283 I HN 0.558 nan 8.210 nan 0.000 0.489 284 G N 3.400 112.109 108.800 -0.150 0.000 2.502 284 G HA2 0.754 4.801 3.960 0.145 0.000 0.305 284 G HA3 0.754 4.801 3.960 0.145 0.000 0.305 284 G C 0.096 174.923 174.900 -0.121 0.000 1.190 284 G CA 0.069 45.082 45.100 -0.145 0.000 0.933 284 G HN 0.870 nan 8.290 nan 0.000 0.503 285 G N -1.356 107.381 108.800 -0.106 0.000 2.455 285 G HA2 0.391 4.438 3.960 0.145 0.000 0.223 285 G HA3 0.391 4.438 3.960 0.145 0.000 0.223 285 G C 1.104 175.983 174.900 -0.035 0.000 1.226 285 G CA 1.130 46.186 45.100 -0.073 0.000 0.948 285 G HN 1.318 nan 8.290 nan 0.000 0.478 286 T N -1.236 113.321 114.554 0.005 0.000 2.833 286 T HA 0.228 4.665 4.350 0.145 0.000 0.269 286 T C 1.335 176.064 174.700 0.048 0.000 1.054 286 T CA 2.205 64.326 62.100 0.037 0.000 1.135 286 T CB -0.544 68.363 68.868 0.065 0.000 0.869 286 T HN 1.789 nan 8.240 nan 0.000 0.466 287 S N -0.603 115.121 115.700 0.042 0.000 2.709 287 S HA 0.707 5.264 4.470 0.145 0.000 0.302 287 S C -0.913 173.697 174.600 0.018 0.000 1.127 287 S CA -0.891 57.341 58.200 0.054 0.000 0.905 287 S CB 2.140 65.383 63.200 0.072 0.000 1.151 287 S HN 0.211 nan 8.310 nan 0.000 0.510 288 T N 1.022 115.597 114.554 0.035 0.000 2.886 288 T HA 0.770 5.208 4.350 0.145 0.000 0.292 288 T C -0.658 174.026 174.700 -0.025 0.000 1.012 288 T CA -0.459 61.621 62.100 -0.033 0.000 0.982 288 T CB 1.488 70.326 68.868 -0.049 0.000 1.018 288 T HN 1.065 nan 8.240 nan 0.000 0.451 289 A N 2.928 125.679 122.820 -0.115 0.000 2.292 289 A HA 0.761 5.168 4.320 0.145 0.000 0.319 289 A C -0.746 176.721 177.584 -0.195 0.000 1.206 289 A CA -0.450 51.544 52.037 -0.073 0.000 0.835 289 A CB 0.249 19.197 19.000 -0.087 0.000 1.164 289 A HN 0.930 nan 8.150 nan 0.000 0.505 295 R N 1.269 121.833 120.500 0.107 0.000 2.285 295 R HA 0.176 4.603 4.340 0.145 0.000 0.213 295 R C 0.336 176.749 176.300 0.187 0.000 1.068 295 R CA 0.616 56.705 56.100 -0.018 0.000 1.004 295 R CB -0.807 29.415 30.300 -0.130 0.000 0.873 295 R HN 0.571 nan 8.270 nan 0.000 0.467 296 S N -0.485 115.239 115.700 0.040 0.000 2.600 296 S HA 0.659 5.217 4.470 0.145 0.000 0.300 296 S C -0.637 173.440 174.600 -0.872 0.000 1.087 296 S CA -0.822 57.169 58.200 -0.349 0.000 0.965 296 S CB 2.449 65.424 63.200 -0.375 0.000 1.089 296 S HN 0.237 nan 8.310 nan 0.000 0.496 297 A N 2.188 124.122 122.820 -1.476 0.000 2.320 297 A HA 0.575 4.982 4.320 0.145 0.000 0.287 297 A C -0.594 176.386 177.584 -1.007 0.000 1.181 297 A CA -0.334 50.758 52.037 -1.576 0.000 0.831 297 A CB 0.030 17.756 19.000 -2.124 0.000 1.102 297 A HN 0.827 nan 8.150 nan 0.000 0.513 298 H N 2.183 121.029 119.070 -0.373 0.000 2.744 298 H HA 0.289 4.932 4.556 0.146 0.000 0.339 298 H C -1.524 173.703 175.328 -0.168 0.000 1.004 298 H CA -0.390 55.565 56.048 -0.155 0.000 1.257 298 H CB 1.192 30.927 29.762 -0.046 0.000 1.552 298 H HN 0.582 nan 8.280 nan 0.000 0.522 299 F N 3.683 123.631 119.950 -0.003 0.000 2.413 299 F HA 0.263 4.877 4.527 0.145 0.000 0.359 299 F C 0.764 176.580 175.800 0.026 0.000 1.122 299 F CA -0.230 57.759 58.000 -0.018 0.000 1.160 299 F CB 0.394 39.335 39.000 -0.098 0.000 1.146 299 F HN 0.284 nan 8.300 nan 0.000 0.514 300 I N 2.573 123.237 120.570 0.156 0.000 2.382 300 I HA 0.149 4.406 4.170 0.145 0.000 0.286 300 I C 0.277 176.439 176.117 0.075 0.000 1.002 300 I CA -0.711 60.653 61.300 0.105 0.000 1.135 300 I CB 1.554 39.600 38.000 0.077 0.000 1.288 300 I HN 0.405 nan 8.210 nan 0.000 0.448 301 S N 4.516 120.250 115.700 0.057 0.000 2.544 301 S HA 0.250 4.808 4.470 0.145 0.000 0.290 301 S C 1.185 175.775 174.600 -0.017 0.000 1.276 301 S CA 1.172 59.391 58.200 0.032 0.000 1.075 301 S CB 0.021 63.232 63.200 0.019 0.000 0.849 301 S HN 1.103 nan 8.310 nan 0.000 0.494 302 G N 3.876 112.665 108.800 -0.019 0.000 2.175 302 G HA2 -0.171 3.876 3.960 0.145 0.000 0.244 302 G HA3 -0.171 3.876 3.960 0.145 0.000 0.244 302 G C -0.030 174.785 174.900 -0.142 0.000 0.982 302 G CA 0.178 45.220 45.100 -0.097 0.000 0.641 302 G HN 0.652 nan 8.290 nan 0.000 0.527 303 I N -0.353 120.181 120.570 -0.061 0.000 2.608 303 I HA 0.518 4.775 4.170 0.145 0.000 0.295 303 I C 0.057 176.244 176.117 0.116 0.000 1.049 303 I CA -1.619 59.638 61.300 -0.071 0.000 1.063 303 I CB 1.192 39.159 38.000 -0.055 0.000 1.248 303 I HN 0.005 nan 8.210 nan 0.000 0.424 304 W N 3.243 124.562 121.300 0.031 0.000 2.129 304 W HA 0.578 5.326 4.660 0.147 0.000 0.349 304 W C 0.988 177.406 176.519 -0.169 0.000 1.279 304 W CA 0.327 57.688 57.345 0.025 0.000 1.306 304 W CB 0.160 29.745 29.460 0.209 0.000 1.140 304 W HN 0.808 nan 8.180 nan 0.000 0.613 305 G N 1.316 109.913 108.800 -0.338 0.000 2.610 305 G HA2 -0.134 3.913 3.960 0.145 0.000 0.304 305 G HA3 -0.134 3.913 3.960 0.145 0.000 0.304 305 G C -3.047 171.662 174.900 -0.319 0.000 1.309 305 G CA -1.350 43.325 45.100 -0.710 0.000 0.906 305 G HN 0.265 nan 8.290 nan 0.000 0.521 306 P HA 0.483 nan 4.420 nan 0.000 0.286 306 P C -1.080 176.369 177.300 0.248 0.000 1.269 306 P CA -0.098 63.020 63.100 0.029 0.000 0.787 306 P CB 0.249 31.990 31.700 0.068 0.000 0.920 307 Y N 1.961 122.500 120.300 0.399 0.000 2.385 307 Y HA 0.261 4.898 4.550 0.145 0.000 0.341 307 Y C 0.560 176.524 175.900 0.107 0.000 0.965 307 Y CA -1.002 57.237 58.100 0.232 0.000 1.180 307 Y CB 0.675 39.241 38.460 0.176 0.000 1.139 307 Y HN 0.353 nan 8.280 nan 0.000 0.502 308 Y N 3.714 123.942 120.300 -0.120 0.000 2.465 308 Y HA 0.092 4.729 4.550 0.145 0.000 0.331 308 Y C 1.036 176.777 175.900 -0.265 0.000 1.102 308 Y CA 0.303 58.035 58.100 -0.615 0.000 1.358 308 Y CB 0.550 38.393 38.460 -1.027 0.000 1.213 308 Y HN 0.819 nan 8.280 nan 0.000 0.525 309 S N 2.503 117.719 115.700 -0.808 0.000 3.533 309 S HA -0.335 4.223 4.470 0.145 0.000 0.347 309 S C 0.969 175.450 174.600 -0.198 0.000 1.101 309 S CA 0.762 58.651 58.200 -0.517 0.000 1.009 309 S CB -2.127 60.720 63.200 -0.588 0.000 0.916 309 S HN 1.283 nan 8.310 nan 0.000 0.496 310 A N 0.343 123.118 122.820 -0.075 0.000 2.015 310 A HA 0.306 4.713 4.320 0.145 0.000 0.219 310 A C 1.985 179.574 177.584 0.008 0.000 1.163 310 A CA 1.536 53.569 52.037 -0.006 0.000 0.646 310 A CB -0.338 18.725 19.000 0.106 0.000 0.806 310 A HN 0.870 nan 8.150 nan 0.000 0.448 311 I N -2.468 118.110 120.570 0.015 0.000 3.664 311 I HA 0.211 4.468 4.170 0.145 0.000 0.251 311 I C -0.096 175.998 176.117 -0.039 0.000 1.134 311 I CA -0.047 61.260 61.300 0.012 0.000 1.520 311 I CB 0.091 38.118 38.000 0.045 0.000 1.638 311 I HN -0.006 nan 8.210 nan 0.000 0.431 312 L N 2.637 123.832 121.223 -0.047 0.000 2.309 312 L HA 0.425 4.852 4.340 0.145 0.000 0.282 312 L C -2.408 174.436 176.870 -0.042 0.000 1.036 312 L CA -1.831 52.985 54.840 -0.040 0.000 0.806 312 L CB 0.944 42.961 42.059 -0.069 0.000 1.220 312 L HN -0.175 nan 8.230 nan 0.000 0.429 313 P HA -0.031 nan 4.420 nan 0.000 0.265 313 P C -0.207 177.023 177.300 -0.116 0.000 1.187 313 P CA 0.271 63.298 63.100 -0.123 0.000 0.766 313 P CB 0.288 31.957 31.700 -0.052 0.000 0.820 314 E N -1.347 118.642 120.200 -0.351 0.000 2.791 314 E HA -0.262 4.175 4.350 0.145 0.000 0.271 314 E C -0.733 175.701 176.600 -0.277 0.000 1.044 314 E CA 0.839 57.083 56.400 -0.260 0.000 0.814 314 E CB -1.779 27.884 29.700 -0.061 0.000 1.400 314 E HN 0.490 nan 8.360 nan 0.000 0.423 315 Y N -0.993 119.099 120.300 -0.346 0.000 2.462 315 Y HA 0.415 5.053 4.550 0.146 0.000 0.346 315 Y C -0.222 175.578 175.900 -0.167 0.000 0.976 315 Y CA -0.804 57.239 58.100 -0.096 0.000 1.044 315 Y CB 1.024 39.474 38.460 -0.017 0.000 1.230 315 Y HN -0.018 nan 8.280 nan 0.000 0.455 316 W N 5.200 126.661 121.300 0.268 0.000 2.361 316 W HA 0.511 5.258 4.660 0.145 0.000 0.309 316 W C -0.903 175.781 176.519 0.275 0.000 1.122 316 W CA -0.591 56.907 57.345 0.256 0.000 1.208 316 W CB 0.906 30.487 29.460 0.202 0.000 1.246 316 W HN 0.210 nan 8.180 nan 0.000 0.490 317 L N 5.605 127.094 121.223 0.443 0.000 2.276 317 L HA 0.420 4.847 4.340 0.145 0.000 0.286 317 L C -0.380 176.711 176.870 0.368 0.000 1.061 317 L CA -0.106 54.969 54.840 0.393 0.000 0.807 317 L CB 0.127 42.422 42.059 0.394 0.000 1.177 317 L HN 0.346 nan 8.230 nan 0.000 0.429 318 N N 4.550 123.429 118.700 0.299 0.000 2.399 318 N HA 0.310 5.137 4.740 0.145 0.000 0.295 318 N C -1.283 174.317 175.510 0.150 0.000 1.048 318 N CA -0.441 52.723 53.050 0.190 0.000 0.886 318 N CB 2.116 40.690 38.487 0.143 0.000 1.185 318 N HN 0.645 nan 8.380 nan 0.000 0.487 319 E N 1.113 121.435 120.200 0.203 0.000 2.241 319 E HA 0.515 4.952 4.350 0.145 0.000 0.263 319 E C -0.879 175.751 176.600 0.050 0.000 0.882 319 E CA -0.802 55.702 56.400 0.172 0.000 0.769 319 E CB 1.243 31.149 29.700 0.343 0.000 1.185 319 E HN 0.675 nan 8.360 nan 0.000 0.415 320 G N 1.842 110.618 108.800 -0.040 0.000 2.820 320 G HA2 0.842 4.889 3.960 0.145 0.000 0.291 320 G HA3 0.842 4.889 3.960 0.145 0.000 0.291 320 G C -0.493 174.345 174.900 -0.102 0.000 1.323 320 G CA -0.424 44.572 45.100 -0.174 0.000 1.055 320 G HN 0.627 nan 8.290 nan 0.000 0.520 321 G N -1.655 107.043 108.800 -0.170 0.000 2.601 321 G HA2 0.533 4.580 3.960 0.145 0.000 0.291 321 G HA3 0.533 4.580 3.960 0.145 0.000 0.291 321 G C -1.650 173.226 174.900 -0.039 0.000 1.456 321 G CA -0.648 44.458 45.100 0.011 0.000 0.804 321 G HN 0.562 nan 8.290 nan 0.000 0.499 322 Q N 0.360 120.235 119.800 0.124 0.000 2.333 322 Q HA 0.447 4.874 4.340 0.145 0.000 0.268 322 Q C 0.618 176.688 176.000 0.118 0.000 1.007 322 Q CA -0.761 55.111 55.803 0.116 0.000 0.810 322 Q CB 2.090 30.953 28.738 0.208 0.000 1.264 322 Q HN 0.452 nan 8.270 nan 0.000 0.452 323 S N 1.187 116.960 115.700 0.120 0.000 2.402 323 S HA -0.011 4.546 4.470 0.145 0.000 0.229 323 S C 0.445 175.132 174.600 0.144 0.000 1.021 323 S CA 0.863 59.158 58.200 0.158 0.000 0.974 323 S CB 0.268 63.616 63.200 0.246 0.000 0.800 323 S HN 0.656 nan 8.310 nan 0.000 0.484 324 A N 1.023 123.927 122.820 0.140 0.000 2.522 324 A HA 0.584 4.991 4.320 0.145 0.000 0.285 324 A C 0.636 178.280 177.584 0.099 0.000 1.198 324 A CA -0.396 51.700 52.037 0.099 0.000 0.742 324 A CB 0.847 19.895 19.000 0.080 0.000 1.176 324 A HN 0.256 nan 8.150 nan 0.000 0.444 325 T N -0.584 114.029 114.554 0.098 0.000 3.397 325 T HA 0.255 4.692 4.350 0.145 0.000 0.233 325 T C 1.964 176.727 174.700 0.105 0.000 0.969 325 T CA 1.150 63.325 62.100 0.127 0.000 1.316 325 T CB -0.853 68.107 68.868 0.154 0.000 1.175 325 T HN 0.889 nan 8.240 nan 0.000 0.381 326 G N 1.465 110.300 108.800 0.058 0.000 2.442 326 G HA2 0.027 4.074 3.960 0.145 0.000 0.219 326 G HA3 0.027 4.074 3.960 0.145 0.000 0.219 326 G C 1.828 176.769 174.900 0.068 0.000 1.141 326 G CA 1.138 46.257 45.100 0.031 0.000 0.763 326 G HN 0.816 nan 8.290 nan 0.000 0.554 327 A N 0.102 122.958 122.820 0.060 0.000 1.969 327 A HA 0.158 4.565 4.320 0.145 0.000 0.218 327 A C 2.307 179.927 177.584 0.060 0.000 1.169 327 A CA 1.570 53.642 52.037 0.058 0.000 0.635 327 A CB -0.293 18.727 19.000 0.034 0.000 0.810 327 A HN 0.440 nan 8.150 nan 0.000 0.445 328 L N -0.141 121.102 121.223 0.033 0.000 2.044 328 L HA 0.009 4.436 4.340 0.145 0.000 0.205 328 L C 2.167 179.057 176.870 0.032 0.000 1.075 328 L CA 1.535 56.353 54.840 -0.037 0.000 0.747 328 L CB -0.487 41.502 42.059 -0.116 0.000 0.903 328 L HN 0.395 nan 8.230 nan 0.000 0.435 329 I N 0.047 120.674 120.570 0.095 0.000 2.151 329 I HA -0.334 3.923 4.170 0.145 0.000 0.243 329 I C 2.036 178.268 176.117 0.191 0.000 1.080 329 I CA 1.659 63.069 61.300 0.183 0.000 1.339 329 I CB -0.540 37.611 38.000 0.252 0.000 1.039 329 I HN 0.317 nan 8.210 nan 0.000 0.409 330 D N -0.628 119.871 120.400 0.164 0.000 2.144 330 D HA -0.228 4.499 4.640 0.145 0.000 0.200 330 D C 1.962 178.282 176.300 0.033 0.000 0.978 330 D CA 1.401 55.462 54.000 0.103 0.000 0.833 330 D CB -0.416 40.446 40.800 0.103 0.000 0.961 330 D HN 0.464 nan 8.370 nan 0.000 0.470 331 H N 0.723 119.784 119.070 -0.014 0.000 2.319 331 H HA -0.092 4.551 4.556 0.145 0.000 0.299 331 H C 1.999 177.323 175.328 -0.007 0.000 1.092 331 H CA 1.353 57.392 56.048 -0.016 0.000 1.302 331 H CB -0.125 29.636 29.762 -0.002 0.000 1.373 331 H HN -0.026 nan 8.280 nan 0.000 0.497 332 I N 0.400 120.958 120.570 -0.020 0.000 2.179 332 I HA -0.233 4.024 4.170 0.145 0.000 0.242 332 I C 2.555 178.656 176.117 -0.027 0.000 1.088 332 I CA 1.208 62.493 61.300 -0.025 0.000 1.357 332 I CB -1.045 37.001 38.000 0.075 0.000 1.051 332 I HN 0.385 nan 8.210 nan 0.000 0.409 333 I N 0.508 121.066 120.570 -0.019 0.000 2.113 333 I HA -0.334 3.924 4.170 0.145 0.000 0.238 333 I C 2.511 178.450 176.117 -0.298 0.000 1.070 333 I CA 1.526 62.772 61.300 -0.089 0.000 1.332 333 I CB -0.412 37.530 38.000 -0.096 0.000 1.044 333 I HN 0.298 nan 8.210 nan 0.000 0.402 334 Q N -0.185 119.295 119.800 -0.534 0.000 2.436 334 Q HA -0.062 4.366 4.340 0.145 0.000 0.209 334 Q C 2.138 177.898 176.000 -0.400 0.000 0.965 334 Q CA 0.886 56.127 55.803 -0.937 0.000 0.910 334 Q CB 0.078 28.374 28.738 -0.737 0.000 0.980 334 Q HN 0.377 nan 8.270 nan 0.000 0.491 335 S N -0.484 115.064 115.700 -0.252 0.000 2.496 335 S HA -0.042 4.515 4.470 0.145 0.000 0.224 335 S C 0.222 174.799 174.600 -0.039 0.000 0.996 335 S CA -0.002 58.101 58.200 -0.162 0.000 0.927 335 S CB -0.078 62.941 63.200 -0.302 0.000 0.774 335 S HN 0.422 nan 8.310 nan 0.000 0.524 336 H N 1.758 120.787 119.070 -0.068 0.000 2.683 336 H HA 0.183 4.827 4.556 0.147 0.000 0.339 336 H C -1.908 173.458 175.328 0.063 0.000 1.081 336 H CA -1.601 54.453 56.048 0.011 0.000 1.432 336 H CB 1.088 30.868 29.762 0.030 0.000 1.462 336 H HN -0.094 nan 8.280 nan 0.000 0.557 337 P HA -0.146 nan 4.420 nan 0.000 0.221 337 P C 0.729 178.125 177.300 0.159 0.000 1.145 337 P CA 0.983 64.088 63.100 0.009 0.000 0.795 337 P CB 0.151 31.793 31.700 -0.097 0.000 0.775 338 C N -2.954 116.580 119.300 0.390 0.000 2.539 338 C HA 0.006 4.553 4.460 0.145 0.000 0.271 338 C C 2.366 177.469 174.990 0.188 0.000 1.412 338 C CA -0.317 58.864 59.018 0.272 0.000 1.729 338 C CB -2.231 25.671 27.740 0.269 0.000 1.739 338 C HN 0.245 nan 8.230 nan 0.000 0.570 339 Y N 3.421 123.782 120.300 0.101 0.000 2.114 339 Y HA -0.089 4.548 4.550 0.144 0.000 0.284 339 Y C -0.556 175.339 175.900 -0.008 0.000 1.143 339 Y CA 1.710 59.822 58.100 0.020 0.000 1.135 339 Y CB -1.676 36.798 38.460 0.023 0.000 0.980 339 Y HN 0.230 nan 8.280 nan 0.000 0.499 340 P HA -0.201 nan 4.420 nan 0.000 0.215 340 P C 1.485 178.652 177.300 -0.222 0.000 1.157 340 P CA 2.695 65.640 63.100 -0.258 0.000 0.868 340 P CB -0.353 31.308 31.700 -0.065 0.000 0.788 341 A N -0.965 121.785 122.820 -0.116 0.000 1.898 341 A HA -0.151 4.256 4.320 0.145 0.000 0.216 341 A C 2.168 179.684 177.584 -0.114 0.000 1.181 341 A CA 1.345 53.329 52.037 -0.090 0.000 0.620 341 A CB -1.625 17.352 19.000 -0.037 0.000 0.819 341 A HN 0.138 nan 8.150 nan 0.000 0.442 342 L N -0.831 120.320 121.223 -0.120 0.000 2.093 342 L HA -0.082 4.345 4.340 0.145 0.000 0.208 342 L C 2.242 179.003 176.870 -0.182 0.000 1.085 342 L CA 1.626 56.394 54.840 -0.120 0.000 0.755 342 L CB -0.528 41.480 42.059 -0.085 0.000 0.904 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N -0.009 121.027 121.223 -0.311 0.000 1.956 343 L HA -0.278 4.149 4.340 0.145 0.000 0.216 343 L C 2.509 179.248 176.870 -0.218 0.000 1.073 343 L CA 2.361 56.995 54.840 -0.343 0.000 0.762 343 L CB -1.028 40.668 42.059 -0.606 0.000 0.889 343 L HN 0.523 nan 8.230 nan 0.000 0.433 344 E N -1.022 119.058 120.200 -0.200 0.000 2.108 344 E HA -0.346 4.091 4.350 0.145 0.000 0.203 344 E C 2.103 178.638 176.600 -0.108 0.000 1.022 344 E CA 2.132 58.452 56.400 -0.133 0.000 0.823 344 E CB -0.206 29.427 29.700 -0.112 0.000 0.744 344 E HN 0.716 nan 8.360 nan 0.000 0.456 345 Q N -0.505 119.230 119.800 -0.108 0.000 2.124 345 Q HA -0.137 4.290 4.340 0.145 0.000 0.202 345 Q C 2.172 178.113 176.000 -0.099 0.000 0.977 345 Q CA 1.292 57.041 55.803 -0.091 0.000 0.850 345 Q CB -0.106 28.584 28.738 -0.081 0.000 0.901 345 Q HN 0.362 nan 8.270 nan 0.000 0.429 346 A N 1.286 124.038 122.820 -0.112 0.000 1.929 346 A HA -0.163 4.244 4.320 0.145 0.000 0.216 346 A C 1.893 179.421 177.584 -0.093 0.000 1.176 346 A CA 1.176 53.148 52.037 -0.109 0.000 0.628 346 A CB -0.174 18.753 19.000 -0.121 0.000 0.816 346 A HN 0.145 nan 8.150 nan 0.000 0.444 347 K N -0.115 120.228 120.400 -0.094 0.000 2.002 347 K HA -0.142 4.266 4.320 0.145 0.000 0.209 347 K C 1.666 178.227 176.600 -0.064 0.000 1.048 347 K CA 1.501 57.743 56.287 -0.075 0.000 0.930 347 K CB -0.281 32.173 32.500 -0.076 0.000 0.714 347 K HN 0.349 nan 8.250 nan 0.000 0.438 348 N N 0.888 119.548 118.700 -0.067 0.000 2.258 348 N HA -0.137 4.690 4.740 0.145 0.000 0.187 348 N C 0.950 176.425 175.510 -0.059 0.000 1.012 348 N CA 1.126 54.141 53.050 -0.058 0.000 0.870 348 N CB 0.042 38.494 38.487 -0.058 0.000 0.977 348 N HN 0.061 nan 8.380 nan 0.000 0.434 349 K N -0.508 119.850 120.400 -0.069 0.000 2.387 349 K HA 0.257 4.664 4.320 0.145 0.000 0.198 349 K C 0.686 177.249 176.600 -0.062 0.000 1.022 349 K CA 0.020 56.263 56.287 -0.073 0.000 1.128 349 K CB -0.089 32.351 32.500 -0.100 0.000 0.853 349 K HN 0.164 nan 8.250 nan 0.000 0.523 350 G N 2.677 111.445 108.800 -0.053 0.000 2.246 350 G HA2 -0.289 3.758 3.960 0.145 0.000 0.273 350 G HA3 -0.289 3.758 3.960 0.145 0.000 0.273 350 G C -0.357 174.520 174.900 -0.038 0.000 1.055 350 G CA 0.722 45.797 45.100 -0.041 0.000 0.851 350 G HN 0.492 nan 8.290 nan 0.000 0.500 351 E N -0.719 119.452 120.200 -0.048 0.000 2.336 351 E HA 0.719 5.156 4.350 0.145 0.000 0.267 351 E C 0.296 176.870 176.600 -0.043 0.000 0.906 351 E CA -0.528 55.849 56.400 -0.038 0.000 0.781 351 E CB 1.260 30.930 29.700 -0.050 0.000 1.261 351 E HN 0.444 nan 8.360 nan 0.000 0.436 352 T N -0.693 113.850 114.554 -0.018 0.000 2.828 352 T HA 0.129 4.567 4.350 0.145 0.000 0.290 352 T C 1.049 175.670 174.700 -0.132 0.000 1.019 352 T CA -0.641 61.433 62.100 -0.044 0.000 1.031 352 T CB 0.775 69.691 68.868 0.079 0.000 1.001 352 T HN 0.539 nan 8.240 nan 0.000 0.531 353 I N 1.063 121.459 120.570 -0.290 0.000 2.454 353 I HA -0.052 4.205 4.170 0.145 0.000 0.254 353 I C 1.574 177.462 176.117 -0.381 0.000 1.156 353 I CA 1.214 62.308 61.300 -0.342 0.000 1.433 353 I CB -0.673 37.116 38.000 -0.353 0.000 1.082 353 I HN 0.752 nan 8.210 nan 0.000 0.432 354 Y N 0.404 120.659 120.300 -0.075 0.000 2.263 354 Y HA -0.124 4.513 4.550 0.144 0.000 0.292 354 Y C 2.477 178.360 175.900 -0.029 0.000 1.130 354 Y CA 1.331 59.378 58.100 -0.090 0.000 1.179 354 Y CB -0.962 37.526 38.460 0.046 0.000 0.998 354 Y HN 0.214 nan 8.280 nan 0.000 0.532 355 E N 0.210 120.485 120.200 0.124 0.000 2.072 355 E HA -0.160 4.277 4.350 0.145 0.000 0.191 355 E C 2.437 179.076 176.600 0.065 0.000 0.985 355 E CA 0.984 57.443 56.400 0.098 0.000 0.801 355 E CB -0.278 29.461 29.700 0.065 0.000 0.750 355 E HN 0.439 nan 8.360 nan 0.000 0.452 356 A N 0.928 123.743 122.820 -0.008 0.000 1.883 356 A HA -0.183 4.224 4.320 0.145 0.000 0.217 356 A C 2.167 179.774 177.584 0.038 0.000 1.186 356 A CA 1.215 53.245 52.037 -0.010 0.000 0.624 356 A CB -0.665 18.290 19.000 -0.075 0.000 0.822 356 A HN 0.146 nan 8.150 nan 0.000 0.444 357 L N -0.496 120.688 121.223 -0.065 0.000 2.093 357 L HA -0.169 4.258 4.340 0.145 0.000 0.208 357 L C 2.263 179.175 176.870 0.069 0.000 1.085 357 L CA 1.112 55.893 54.840 -0.097 0.000 0.755 357 L CB -0.639 41.131 42.059 -0.482 0.000 0.904 357 L HN 0.306 nan 8.230 nan 0.000 0.435 358 N N -0.450 118.332 118.700 0.137 0.000 2.149 358 N HA -0.255 4.572 4.740 0.145 0.000 0.188 358 N C 1.708 177.320 175.510 0.169 0.000 1.019 358 N CA 1.323 54.500 53.050 0.211 0.000 0.857 358 N CB -0.406 38.212 38.487 0.219 0.000 0.997 358 N HN 0.393 nan 8.380 nan 0.000 0.426 359 Y N 1.062 121.390 120.300 0.047 0.000 2.242 359 Y HA 0.004 4.644 4.550 0.151 0.000 0.291 359 Y C 2.017 177.933 175.900 0.027 0.000 1.137 359 Y CA 1.148 59.267 58.100 0.031 0.000 1.181 359 Y CB -0.265 38.203 38.460 0.014 0.000 0.989 359 Y HN -0.018 nan 8.280 nan 0.000 0.527 360 I N -0.057 120.545 120.570 0.053 0.000 2.179 360 I HA -0.348 3.909 4.170 0.145 0.000 0.242 360 I C 2.326 178.401 176.117 -0.071 0.000 1.088 360 I CA 1.429 62.706 61.300 -0.039 0.000 1.357 360 I CB -0.483 37.545 38.000 0.047 0.000 1.051 360 I HN 0.277 nan 8.210 nan 0.000 0.409 361 L N 0.218 121.445 121.223 0.007 0.000 2.042 361 L HA -0.210 4.217 4.340 0.145 0.000 0.210 361 L C 2.804 179.653 176.870 -0.035 0.000 1.076 361 L CA 1.462 56.313 54.840 0.019 0.000 0.749 361 L CB -0.575 41.538 42.059 0.090 0.000 0.893 361 L HN 0.220 nan 8.230 nan 0.000 0.432 362 R N -0.788 119.670 120.500 -0.071 0.000 2.092 362 R HA -0.065 4.363 4.340 0.145 0.000 0.231 362 R C 1.076 177.287 176.300 -0.149 0.000 1.119 362 R CA 0.390 56.435 56.100 -0.091 0.000 0.970 362 R CB -0.197 30.055 30.300 -0.080 0.000 0.864 362 R HN 0.343 nan 8.270 nan 0.000 0.440 366 G N 0.524 109.308 108.800 -0.027 0.000 4.951 366 G HA2 -0.189 3.859 3.960 0.145 0.000 0.295 366 G HA3 -0.189 3.859 3.960 0.145 0.000 0.295 366 G C 0.126 175.016 174.900 -0.016 0.000 1.540 366 G CA 1.237 46.323 45.100 -0.023 0.000 1.044 366 G HN 1.842 nan 8.290 nan 0.000 0.731 367 E N 2.643 122.842 120.200 -0.002 0.000 2.214 367 E HA 0.699 5.136 4.350 0.145 0.000 0.274 367 E C -1.954 174.654 176.600 0.012 0.000 0.977 367 E CA -1.566 54.837 56.400 0.005 0.000 0.827 367 E CB 1.701 31.407 29.700 0.010 0.000 1.130 367 E HN 0.238 nan 8.360 nan 0.000 0.394 368 P HA -0.097 nan 4.420 nan 0.000 0.225 368 P C 0.945 178.251 177.300 0.010 0.000 1.148 368 P CA 1.742 64.847 63.100 0.008 0.000 0.779 368 P CB 0.045 31.751 31.700 0.011 0.000 0.780 369 E N 0.012 120.232 120.200 0.033 0.000 2.418 369 E HA -0.132 4.305 4.350 0.145 0.000 0.197 369 E C 1.573 178.243 176.600 0.116 0.000 1.026 369 E CA 0.939 57.375 56.400 0.059 0.000 0.862 369 E CB -1.303 28.449 29.700 0.086 0.000 0.799 369 E HN 0.303 nan 8.360 nan 0.000 0.518 370 N N -0.476 118.294 118.700 0.117 0.000 2.280 370 N HA 0.181 5.008 4.740 0.145 0.000 0.192 370 N C 1.600 177.140 175.510 0.049 0.000 1.109 370 N CA 0.097 53.294 53.050 0.245 0.000 0.855 370 N CB 0.304 38.886 38.487 0.158 0.000 0.974 370 N HN 0.439 nan 8.380 nan 0.000 0.482 371 I N 1.342 121.872 120.570 -0.067 0.000 2.151 371 I HA -0.309 3.949 4.170 0.145 0.000 0.243 371 I C 2.303 178.291 176.117 -0.215 0.000 1.080 371 I CA 1.307 62.548 61.300 -0.098 0.000 1.339 371 I CB -0.214 37.750 38.000 -0.060 0.000 1.039 371 I HN 0.083 nan 8.210 nan 0.000 0.409 372 A N 0.547 123.101 122.820 -0.444 0.000 1.978 372 A HA -0.199 4.208 4.320 0.145 0.000 0.220 372 A C 1.912 179.009 177.584 -0.812 0.000 1.170 372 A CA 1.533 53.214 52.037 -0.592 0.000 0.636 372 A CB -0.981 17.578 19.000 -0.734 0.000 0.810 372 A HN 0.425 nan 8.150 nan 0.000 0.448 373 F N -0.050 119.531 119.950 -0.615 0.000 2.699 373 F HA 0.081 4.592 4.527 -0.026 0.000 0.298 373 F C 1.682 177.354 175.800 -0.213 0.000 1.154 373 F CA 0.178 57.795 58.000 -0.638 0.000 1.457 373 F CB -0.693 38.018 39.000 -0.482 0.000 1.106 373 F HN 0.085 nan 8.300 nan 0.000 0.585 374 L N -0.074 121.134 121.223 -0.025 0.000 2.261 374 L HA -0.170 4.257 4.340 0.145 0.000 0.216 374 L C 1.776 178.662 176.870 0.027 0.000 1.114 374 L CA 1.613 56.461 54.840 0.014 0.000 0.777 374 L CB -0.929 41.131 42.059 0.002 0.000 0.910 374 L HN 0.256 nan 8.230 nan 0.000 0.440 375 T N -5.359 109.219 114.554 0.040 0.000 3.258 375 T HA 0.090 4.527 4.350 0.145 0.000 0.263 375 T C 1.046 175.772 174.700 0.043 0.000 0.983 375 T CA -0.241 61.872 62.100 0.022 0.000 0.907 375 T CB -0.226 68.648 68.868 0.011 0.000 1.096 375 T HN 0.068 nan 8.240 nan 0.000 0.556 376 N N 2.298 121.087 118.700 0.149 0.000 2.205 376 N HA -0.123 4.704 4.740 0.145 0.000 0.186 376 N C 0.847 176.385 175.510 0.047 0.000 1.015 376 N CA 1.379 54.564 53.050 0.225 0.000 0.862 376 N CB -0.043 38.594 38.487 0.249 0.000 0.986 376 N HN 0.449 nan 8.380 nan 0.000 0.429 377 D N -0.898 119.464 120.400 -0.063 0.000 2.501 377 D HA 0.203 4.930 4.640 0.145 0.000 0.224 377 D C -0.376 175.771 176.300 -0.254 0.000 1.202 377 D CA 0.013 53.958 54.000 -0.091 0.000 0.829 377 D CB 1.050 41.854 40.800 0.007 0.000 1.023 377 D HN 0.286 nan 8.370 nan 0.000 0.499 378 I N 1.301 121.591 120.570 -0.466 0.000 2.447 378 I HA 0.262 4.520 4.170 0.145 0.000 0.287 378 I C -0.144 175.663 176.117 -0.517 0.000 1.023 378 I CA -0.570 60.528 61.300 -0.335 0.000 1.083 378 I CB 1.776 39.707 38.000 -0.115 0.000 1.245 378 I HN -0.134 nan 8.210 nan 0.000 0.434 382 P HA 0.130 nan 4.420 nan 0.000 0.256 382 P C -0.169 177.358 177.300 0.379 0.000 1.384 382 P CA 0.230 63.439 63.100 0.182 0.000 0.879 382 P CB -0.222 31.573 31.700 0.158 0.000 1.403 383 Y N -0.815 119.646 120.300 0.268 0.000 2.885 383 Y HA 0.158 4.796 4.550 0.146 0.000 0.380 383 Y C 1.393 177.441 175.900 0.247 0.000 1.064 383 Y CA -1.304 56.901 58.100 0.175 0.000 1.676 383 Y CB -1.847 36.618 38.460 0.009 0.000 1.633 383 Y HN -0.110 nan 8.280 nan 0.000 0.473 384 F N -0.918 119.135 119.950 0.172 0.000 2.269 384 F HA -0.173 4.442 4.527 0.145 0.000 0.301 384 F C 1.776 177.669 175.800 0.156 0.000 1.082 384 F CA 1.295 59.366 58.000 0.118 0.000 1.360 384 F CB -0.389 38.645 39.000 0.055 0.000 1.041 384 F HN 0.279 nan 8.300 nan 0.000 0.512 385 H N -0.506 118.712 119.070 0.247 0.000 2.505 385 H HA 0.474 5.117 4.556 0.145 0.000 0.260 385 H C 0.562 175.956 175.328 0.110 0.000 1.168 385 H CA 0.068 56.204 56.048 0.147 0.000 0.945 385 H CB -0.353 29.487 29.762 0.130 0.000 1.800 385 H HN 0.237 nan 8.280 nan 0.000 0.586 386 G N 1.019 109.849 108.800 0.050 0.000 2.760 386 G HA2 -0.258 3.789 3.960 0.145 0.000 0.246 386 G HA3 -0.258 3.789 3.960 0.145 0.000 0.246 386 G C -0.865 173.991 174.900 -0.074 0.000 1.359 386 G CA -0.294 44.778 45.100 -0.046 0.000 0.861 386 G HN 0.614 nan 8.290 nan 0.000 0.541 387 N N -0.324 118.215 118.700 -0.268 0.000 2.399 387 N HA 0.339 5.166 4.740 0.145 0.000 0.284 387 N C 1.173 176.529 175.510 -0.258 0.000 1.025 387 N CA -0.520 52.304 53.050 -0.377 0.000 0.885 387 N CB 1.621 39.527 38.487 -0.967 0.000 1.339 387 N HN 0.743 nan 8.380 nan 0.000 0.487 388 R N 2.091 122.481 120.500 -0.184 0.000 2.052 388 R HA 0.108 4.535 4.340 0.145 0.000 0.226 388 R C -0.149 175.988 176.300 -0.272 0.000 1.145 388 R CA 0.960 56.934 56.100 -0.210 0.000 0.952 388 R CB 0.071 30.242 30.300 -0.216 0.000 0.847 388 R HN 0.454 nan 8.270 nan 0.000 0.431 389 S N 0.550 116.082 115.700 -0.281 0.000 2.532 389 S HA 0.333 4.890 4.470 0.145 0.000 0.299 389 S C -2.393 172.020 174.600 -0.312 0.000 1.105 389 S CA -1.306 56.709 58.200 -0.310 0.000 1.018 389 S CB 2.510 65.505 63.200 -0.343 0.000 1.021 389 S HN 0.227 nan 8.310 nan 0.000 0.483 390 P HA 0.279 nan 4.420 nan 0.000 0.274 390 P C 0.542 177.672 177.300 -0.283 0.000 1.352 390 P CA -0.152 62.738 63.100 -0.348 0.000 0.947 390 P CB 0.286 31.714 31.700 -0.455 0.000 1.437 391 R N 0.449 120.765 120.500 -0.307 0.000 2.200 391 R HA 0.292 4.720 4.340 0.145 0.000 0.208 391 R C 0.948 177.133 176.300 -0.193 0.000 1.033 391 R CA 0.654 56.587 56.100 -0.278 0.000 1.000 391 R CB -0.499 29.549 30.300 -0.421 0.000 0.906 391 R HN -0.003 nan 8.270 nan 0.000 0.462 392 A N 2.565 125.272 122.820 -0.188 0.000 2.560 392 A HA -0.201 4.206 4.320 0.145 0.000 0.299 392 A C -0.354 177.185 177.584 -0.076 0.000 1.484 392 A CA 0.919 52.891 52.037 -0.109 0.000 0.749 392 A CB -1.760 17.216 19.000 -0.041 0.000 1.072 392 A HN 0.457 nan 8.150 nan 0.000 0.426 393 N N -0.162 118.468 118.700 -0.118 0.000 2.577 393 N HA 0.420 5.247 4.740 0.145 0.000 0.275 393 N C -1.445 174.009 175.510 -0.093 0.000 1.091 393 N CA -1.663 51.341 53.050 -0.077 0.000 0.843 393 N CB 1.483 39.935 38.487 -0.058 0.000 1.295 393 N HN 0.097 nan 8.380 nan 0.000 0.530 394 P HA -0.012 nan 4.420 nan 0.000 0.226 394 P C 0.138 177.385 177.300 -0.088 0.000 1.153 394 P CA 0.792 63.839 63.100 -0.088 0.000 0.777 394 P CB 0.550 32.213 31.700 -0.062 0.000 0.794 395 N N -0.468 118.206 118.700 -0.043 0.000 2.336 395 N HA 0.098 4.925 4.740 0.145 0.000 0.189 395 N C 0.870 176.386 175.510 0.010 0.000 1.113 395 N CA 0.110 53.153 53.050 -0.011 0.000 0.858 395 N CB -0.168 38.331 38.487 0.019 0.000 0.970 395 N HN 0.258 nan 8.380 nan 0.000 0.471 396 L N 0.672 121.877 121.223 -0.029 0.000 2.464 396 L HA 0.170 4.597 4.340 0.145 0.000 0.264 396 L C 0.952 177.808 176.870 -0.024 0.000 1.199 396 L CA 0.121 54.922 54.840 -0.065 0.000 0.818 396 L CB 0.510 42.508 42.059 -0.102 0.000 1.102 396 L HN 0.125 nan 8.230 nan 0.000 0.473 397 T N -1.702 112.802 114.554 -0.082 0.000 2.865 397 T HA 0.601 5.038 4.350 0.145 0.000 0.294 397 T C -0.119 174.530 174.700 -0.085 0.000 1.119 397 T CA -0.634 61.445 62.100 -0.035 0.000 1.007 397 T CB 1.548 70.410 68.868 -0.010 0.000 1.225 397 T HN 0.663 nan 8.240 nan 0.000 0.515 398 G N -0.237 108.400 108.800 -0.270 0.000 2.507 398 G HA2 0.642 4.690 3.960 0.145 0.000 0.271 398 G HA3 0.642 4.690 3.960 0.145 0.000 0.271 398 G C -0.805 173.947 174.900 -0.247 0.000 1.189 398 G CA -0.889 43.985 45.100 -0.376 0.000 0.859 398 G HN 0.848 nan 8.290 nan 0.000 0.542 399 I N 0.322 120.848 120.570 -0.074 0.000 2.686 399 I HA 0.423 4.680 4.170 0.145 0.000 0.295 399 I C -0.729 175.443 176.117 0.091 0.000 1.114 399 I CA -0.646 60.659 61.300 0.008 0.000 1.038 399 I CB 2.515 40.542 38.000 0.045 0.000 1.238 399 I HN 0.201 nan 8.210 nan 0.000 0.420 400 I N 3.827 124.459 120.570 0.104 0.000 2.533 400 I HA 0.398 4.655 4.170 0.145 0.000 0.290 400 I C -0.032 176.152 176.117 0.112 0.000 1.056 400 I CA -0.408 60.976 61.300 0.140 0.000 1.057 400 I CB 2.502 40.608 38.000 0.177 0.000 1.240 400 I HN 0.615 nan 8.210 nan 0.000 0.423 401 T N 0.549 115.176 114.554 0.121 0.000 2.927 401 T HA 0.682 5.119 4.350 0.145 0.000 0.286 401 T C 0.778 175.522 174.700 0.074 0.000 1.040 401 T CA -0.016 62.149 62.100 0.108 0.000 1.010 401 T CB 1.767 70.729 68.868 0.156 0.000 1.177 401 T HN 1.107 nan 8.240 nan 0.000 0.546 402 G N 0.371 109.208 108.800 0.062 0.000 2.143 402 G HA2 -0.182 3.865 3.960 0.145 0.000 0.248 402 G HA3 -0.182 3.865 3.960 0.145 0.000 0.248 402 G C -0.003 174.922 174.900 0.042 0.000 0.991 402 G CA 0.142 45.264 45.100 0.036 0.000 0.689 402 G HN 0.931 nan 8.290 nan 0.000 0.522 403 L N -0.213 121.041 121.223 0.051 0.000 2.453 403 L HA 0.435 4.862 4.340 0.145 0.000 0.272 403 L C 0.893 177.789 176.870 0.043 0.000 1.182 403 L CA 0.337 55.209 54.840 0.053 0.000 0.858 403 L CB 0.616 42.707 42.059 0.052 0.000 1.120 403 L HN 0.118 nan 8.230 nan 0.000 0.474 404 K N 2.275 122.703 120.400 0.047 0.000 2.350 404 K HA 0.433 4.840 4.320 0.145 0.000 0.241 404 K C -0.897 175.724 176.600 0.036 0.000 0.994 404 K CA -1.089 55.221 56.287 0.039 0.000 0.839 404 K CB 2.129 34.653 32.500 0.040 0.000 1.244 404 K HN 0.237 nan 8.250 nan 0.000 0.443 405 L N 2.018 123.257 121.223 0.028 0.000 2.384 405 L HA 0.198 4.625 4.340 0.145 0.000 0.258 405 L C -0.855 176.031 176.870 0.026 0.000 1.266 405 L CA 0.742 55.595 54.840 0.022 0.000 1.162 405 L CB -0.439 41.630 42.059 0.016 0.000 1.375 405 L HN 0.485 nan 8.230 nan 0.000 0.420 406 S N 1.135 116.856 115.700 0.034 0.000 2.584 406 S HA 0.493 5.050 4.470 0.145 0.000 0.280 406 S C -0.466 174.173 174.600 0.066 0.000 1.162 406 S CA -0.519 57.709 58.200 0.047 0.000 0.951 406 S CB 1.287 64.520 63.200 0.054 0.000 1.108 406 S HN 0.279 nan 8.310 nan 0.000 0.464 407 T N 3.784 118.377 114.554 0.064 0.000 3.390 407 T HA 0.448 4.885 4.350 0.145 0.000 0.351 407 T C -0.104 174.691 174.700 0.157 0.000 1.759 407 T CA -0.385 61.769 62.100 0.090 0.000 1.561 407 T CB 0.151 69.020 68.868 0.002 0.000 1.011 407 T HN 0.783 nan 8.240 nan 0.000 0.689 408 T N -1.187 113.481 114.554 0.190 0.000 2.930 408 T HA 0.539 4.976 4.350 0.145 0.000 0.290 408 T C -2.219 172.543 174.700 0.104 0.000 1.052 408 T CA -2.295 59.882 62.100 0.129 0.000 1.017 408 T CB 2.063 70.977 68.868 0.075 0.000 1.137 408 T HN -0.201 nan 8.240 nan 0.000 0.511 409 P HA -0.045 nan 4.420 nan 0.000 0.218 409 P C 1.096 178.375 177.300 -0.036 0.000 1.148 409 P CA 1.010 64.098 63.100 -0.019 0.000 0.822 409 P CB 0.091 31.795 31.700 0.006 0.000 0.784 410 E N -0.468 119.735 120.200 0.006 0.000 2.077 410 E HA -0.105 4.332 4.350 0.145 0.000 0.193 410 E C 0.889 177.498 176.600 0.014 0.000 0.989 410 E CA 0.875 57.282 56.400 0.012 0.000 0.800 410 E CB -0.746 28.967 29.700 0.022 0.000 0.746 410 E HN 0.360 nan 8.360 nan 0.000 0.452 414 L N 0.260 121.539 121.223 0.092 0.000 2.017 414 L HA -0.087 4.340 4.340 0.145 0.000 0.208 414 L C 2.622 179.547 176.870 0.091 0.000 1.073 414 L CA 2.025 56.914 54.840 0.081 0.000 0.745 414 L CB -0.356 41.736 42.059 0.054 0.000 0.894 414 L HN 0.577 nan 8.230 nan 0.000 0.432 415 R N -0.606 119.956 120.500 0.105 0.000 2.091 415 R HA -0.261 4.166 4.340 0.145 0.000 0.238 415 R C 2.478 178.866 176.300 0.147 0.000 1.136 415 R CA 1.897 58.069 56.100 0.121 0.000 0.959 415 R CB -0.476 29.909 30.300 0.142 0.000 0.856 415 R HN 0.345 nan 8.270 nan 0.000 0.437 416 Y N 0.607 120.933 120.300 0.042 0.000 2.181 416 Y HA -0.218 4.419 4.550 0.145 0.000 0.288 416 Y C 1.817 177.764 175.900 0.079 0.000 1.146 416 Y CA 1.593 59.733 58.100 0.067 0.000 1.164 416 Y CB -0.407 38.096 38.460 0.070 0.000 0.982 416 Y HN 0.165 nan 8.280 nan 0.000 0.515 417 L N 1.127 122.295 121.223 -0.092 0.000 2.046 417 L HA -0.028 4.399 4.340 0.145 0.000 0.208 417 L C 2.447 179.253 176.870 -0.107 0.000 1.077 417 L CA 2.125 56.852 54.840 -0.190 0.000 0.747 417 L CB -1.401 40.640 42.059 -0.031 0.000 0.896 417 L HN 0.301 nan 8.230 nan 0.000 0.432 418 A N -1.633 121.175 122.820 -0.020 0.000 1.972 418 A HA -0.174 4.234 4.320 0.145 0.000 0.219 418 A C 2.221 179.812 177.584 0.011 0.000 1.169 418 A CA 2.132 54.178 52.037 0.015 0.000 0.635 418 A CB -1.106 17.919 19.000 0.043 0.000 0.810 418 A HN 0.527 nan 8.150 nan 0.000 0.446 419 T N 0.353 114.901 114.554 -0.009 0.000 2.701 419 T HA -0.081 4.356 4.350 0.145 0.000 0.263 419 T C 1.810 176.480 174.700 -0.051 0.000 1.040 419 T CA 1.420 63.513 62.100 -0.010 0.000 1.147 419 T CB -0.411 68.462 68.868 0.009 0.000 0.865 419 T HN 0.419 nan 8.240 nan 0.000 0.426 420 I N 1.230 121.718 120.570 -0.135 0.000 2.151 420 I HA -0.301 3.956 4.170 0.145 0.000 0.243 420 I C 2.788 178.761 176.117 -0.240 0.000 1.080 420 I CA 1.609 62.793 61.300 -0.193 0.000 1.339 420 I CB -0.411 37.419 38.000 -0.284 0.000 1.039 420 I HN 0.353 nan 8.210 nan 0.000 0.409 421 Q N 0.245 119.959 119.800 -0.143 0.000 2.123 421 Q HA -0.115 4.312 4.340 0.145 0.000 0.199 421 Q C 2.458 178.391 176.000 -0.111 0.000 0.966 421 Q CA 1.447 57.195 55.803 -0.090 0.000 0.845 421 Q CB -0.253 28.555 28.738 0.115 0.000 0.907 421 Q HN 0.574 nan 8.270 nan 0.000 0.439 422 A N 1.032 123.837 122.820 -0.025 0.000 1.902 422 A HA -0.167 4.240 4.320 0.145 0.000 0.217 422 A C 2.059 179.627 177.584 -0.026 0.000 1.181 422 A CA 1.158 53.228 52.037 0.056 0.000 0.623 422 A CB -0.664 18.423 19.000 0.145 0.000 0.818 422 A HN 0.288 nan 8.150 nan 0.000 0.443 423 L N -0.953 120.233 121.223 -0.061 0.000 2.093 423 L HA -0.158 4.269 4.340 0.145 0.000 0.208 423 L C 3.086 179.822 176.870 -0.222 0.000 1.085 423 L CA 0.921 55.742 54.840 -0.033 0.000 0.755 423 L CB -0.538 41.562 42.059 0.070 0.000 0.904 423 L HN 0.441 nan 8.230 nan 0.000 0.435 424 A N 0.241 122.693 122.820 -0.613 0.000 1.902 424 A HA -0.156 4.251 4.320 0.145 0.000 0.217 424 A C 2.235 179.483 177.584 -0.559 0.000 1.181 424 A CA 1.390 52.832 52.037 -0.992 0.000 0.623 424 A CB -0.654 17.636 19.000 -1.182 0.000 0.818 424 A HN 0.359 nan 8.150 nan 0.000 0.443 425 L N -0.755 120.161 121.223 -0.513 0.000 2.141 425 L HA -0.085 4.343 4.340 0.145 0.000 0.209 425 L C 2.799 179.253 176.870 -0.694 0.000 1.094 425 L CA 0.877 55.334 54.840 -0.638 0.000 0.763 425 L CB -0.744 40.827 42.059 -0.813 0.000 0.908 425 L HN 0.490 nan 8.230 nan 0.000 0.437 426 G N -0.628 107.876 108.800 -0.493 0.000 2.418 426 G HA2 -0.241 3.807 3.960 0.145 0.000 0.217 426 G HA3 -0.241 3.807 3.960 0.145 0.000 0.217 426 G C 1.589 176.467 174.900 -0.037 0.000 1.158 426 G CA 1.308 46.380 45.100 -0.047 0.000 0.771 426 G HN 0.264 nan 8.290 nan 0.000 0.545 427 T N 0.081 114.593 114.554 -0.070 0.000 2.788 427 T HA -0.083 4.354 4.350 0.145 0.000 0.268 427 T C 2.305 176.955 174.700 -0.083 0.000 1.044 427 T CA 1.266 63.359 62.100 -0.011 0.000 1.139 427 T CB -0.102 68.854 68.868 0.146 0.000 0.867 427 T HN 0.357 nan 8.240 nan 0.000 0.454 428 R N 0.058 120.448 120.500 -0.184 0.000 2.083 428 R HA -0.206 4.221 4.340 0.145 0.000 0.237 428 R C 2.418 178.672 176.300 -0.077 0.000 1.137 428 R CA 1.738 57.691 56.100 -0.247 0.000 0.951 428 R CB -0.398 29.576 30.300 -0.544 0.000 0.851 428 R HN 0.375 nan 8.270 nan 0.000 0.434 429 H N 0.555 119.594 119.070 -0.052 0.000 2.352 429 H HA -0.077 4.566 4.556 0.145 0.000 0.299 429 H C 1.895 177.237 175.328 0.023 0.000 1.097 429 H CA 2.099 58.237 56.048 0.150 0.000 1.311 429 H CB -0.233 29.668 29.762 0.232 0.000 1.377 429 H HN 0.260 nan 8.280 nan 0.000 0.504 430 I N -0.415 120.114 120.570 -0.068 0.000 2.252 430 I HA -0.241 4.017 4.170 0.145 0.000 0.245 430 I C 2.369 178.408 176.117 -0.130 0.000 1.102 430 I CA 1.120 62.296 61.300 -0.208 0.000 1.385 430 I CB -0.185 37.595 38.000 -0.367 0.000 1.064 430 I HN 0.203 nan 8.210 nan 0.000 0.414 431 I N 0.512 121.035 120.570 -0.080 0.000 2.202 431 I HA -0.262 3.995 4.170 0.145 0.000 0.242 431 I C 2.417 178.515 176.117 -0.032 0.000 1.091 431 I CA 1.458 62.719 61.300 -0.065 0.000 1.368 431 I CB -0.387 37.579 38.000 -0.058 0.000 1.058 431 I HN 0.228 nan 8.210 nan 0.000 0.410 432 E N 0.090 120.297 120.200 0.011 0.000 2.110 432 E HA -0.113 4.324 4.350 0.145 0.000 0.193 432 E C 1.009 177.646 176.600 0.062 0.000 0.988 432 E CA 0.926 57.362 56.400 0.059 0.000 0.804 432 E CB -0.170 29.611 29.700 0.135 0.000 0.745 432 E HN 0.452 nan 8.360 nan 0.000 0.458 436 Q N -0.079 119.740 119.800 0.032 0.000 2.319 436 Q HA 0.348 4.775 4.340 0.145 0.000 0.202 436 Q C -0.171 175.837 176.000 0.012 0.000 0.896 436 Q CA 0.335 56.152 55.803 0.024 0.000 0.942 436 Q CB 0.479 29.240 28.738 0.037 0.000 1.083 436 Q HN 0.185 nan 8.270 nan 0.000 0.510 437 N N -0.721 117.981 118.700 0.003 0.000 2.466 437 N HA 0.159 4.986 4.740 0.145 0.000 0.272 437 N C 0.109 175.491 175.510 -0.213 0.000 1.455 437 N CA 0.532 53.571 53.050 -0.018 0.000 0.875 437 N CB 1.885 40.396 38.487 0.041 0.000 1.372 437 N HN 0.286 nan 8.380 nan 0.000 0.492 438 G N 0.133 108.740 108.800 -0.322 0.000 2.260 438 G HA2 -0.206 3.841 3.960 0.145 0.000 0.179 438 G HA3 -0.206 3.841 3.960 0.145 0.000 0.179 438 G C -0.405 174.125 174.900 -0.617 0.000 1.002 438 G CA -0.427 44.166 45.100 -0.846 0.000 0.677 438 G HN 0.271 nan 8.290 nan 0.000 0.486 439 Y N 0.283 120.442 120.300 -0.236 0.000 2.596 439 Y HA 0.680 5.317 4.550 0.145 0.000 0.326 439 Y C 0.951 176.816 175.900 -0.059 0.000 1.167 439 Y CA -0.828 57.208 58.100 -0.107 0.000 1.246 439 Y CB 1.282 39.700 38.460 -0.071 0.000 1.347 439 Y HN 0.002 nan 8.280 nan 0.000 0.515 440 N N 1.362 120.151 118.700 0.148 0.000 2.598 440 N HA 0.213 5.040 4.740 0.145 0.000 0.295 440 N C -1.238 174.320 175.510 0.080 0.000 1.729 440 N CA 0.054 53.151 53.050 0.078 0.000 0.877 440 N CB 0.623 39.134 38.487 0.040 0.000 1.405 440 N HN 0.477 nan 8.380 nan 0.000 0.491 441 I N 1.661 122.289 120.570 0.096 0.000 2.618 441 I HA -0.068 4.189 4.170 0.145 0.000 0.284 441 I C 0.794 176.921 176.117 0.017 0.000 1.146 441 I CA 0.668 62.000 61.300 0.052 0.000 1.425 441 I CB 0.528 38.538 38.000 0.018 0.000 1.383 441 I HN 0.160 nan 8.210 nan 0.000 0.562 442 D N 1.784 122.188 120.400 0.007 0.000 2.563 442 D HA 0.144 4.872 4.640 0.145 0.000 0.256 442 D C 0.019 176.309 176.300 -0.016 0.000 1.400 442 D CA -0.113 53.882 54.000 -0.009 0.000 0.800 442 D CB 0.405 41.203 40.800 -0.004 0.000 1.145 442 D HN 0.398 nan 8.370 nan 0.000 0.501 447 S N 0.467 116.098 115.700 -0.115 0.000 2.588 447 S HA 0.972 5.529 4.470 0.145 0.000 0.275 447 S C 0.471 174.993 174.600 -0.129 0.000 1.130 447 S CA 0.460 58.596 58.200 -0.107 0.000 0.855 447 S CB 1.107 64.251 63.200 -0.093 0.000 1.116 447 S HN 2.979 nan 8.310 nan 0.000 0.472 448 G N 0.851 109.578 108.800 -0.122 0.000 2.593 448 G HA2 0.246 4.293 3.960 0.145 0.000 0.237 448 G HA3 0.246 4.293 3.960 0.145 0.000 0.237 448 G C 0.432 175.209 174.900 -0.205 0.000 1.312 448 G CA 0.002 45.021 45.100 -0.135 0.000 0.896 448 G HN 2.077 nan 8.290 nan 0.000 0.574 449 G N -0.550 108.117 108.800 -0.222 0.000 2.178 449 G HA2 0.498 4.546 3.960 0.145 0.000 0.244 449 G HA3 0.498 4.546 3.960 0.145 0.000 0.244 449 G C 1.672 176.219 174.900 -0.588 0.000 1.213 449 G CA 1.896 46.798 45.100 -0.330 0.000 0.912 449 G HN 2.654 nan 8.290 nan 0.000 0.474 450 G N 1.418 109.767 108.800 -0.751 0.000 2.279 450 G HA2 -0.278 3.770 3.960 0.145 0.000 0.223 450 G HA3 -0.278 3.770 3.960 0.145 0.000 0.223 450 G C 1.563 176.062 174.900 -0.669 0.000 1.015 450 G CA 0.912 45.219 45.100 -1.321 0.000 0.621 450 G HN 1.777 nan 8.290 nan 0.000 0.506 451 T N -1.086 113.235 114.554 -0.389 0.000 3.035 451 T HA 0.154 4.591 4.350 0.145 0.000 0.268 451 T C 1.723 176.350 174.700 -0.122 0.000 1.109 451 T CA 1.752 63.741 62.100 -0.184 0.000 1.119 451 T CB -0.062 68.722 68.868 -0.140 0.000 0.900 451 T HN 0.337 nan 8.240 nan 0.000 0.503 452 K N 1.478 121.790 120.400 -0.147 0.000 2.446 452 K HA 0.305 4.712 4.320 0.145 0.000 0.203 452 K C 0.109 176.677 176.600 -0.054 0.000 1.027 452 K CA -0.137 56.103 56.287 -0.079 0.000 1.166 452 K CB 0.103 32.564 32.500 -0.065 0.000 0.869 452 K HN 0.514 nan 8.250 nan 0.000 0.504 453 N N 0.713 119.370 118.700 -0.072 0.000 2.558 453 N HA 0.154 4.981 4.740 0.145 0.000 0.242 453 N C -2.220 173.352 175.510 0.103 0.000 0.979 453 N CA -2.155 50.906 53.050 0.018 0.000 0.931 453 N CB 1.153 39.616 38.487 -0.041 0.000 1.122 453 N HN -0.210 nan 8.380 nan 0.000 0.508 454 P HA -0.124 nan 4.420 nan 0.000 0.216 454 P C 0.983 178.345 177.300 0.105 0.000 1.150 454 P CA 1.003 64.155 63.100 0.087 0.000 0.837 454 P CB 0.372 32.117 31.700 0.074 0.000 0.786 455 I N -2.364 118.287 120.570 0.135 0.000 2.286 455 I HA -0.200 4.057 4.170 0.145 0.000 0.245 455 I C 2.240 178.425 176.117 0.113 0.000 1.104 455 I CA 1.077 62.444 61.300 0.112 0.000 1.397 455 I CB -0.570 37.509 38.000 0.132 0.000 1.072 455 I HN -0.130 nan 8.210 nan 0.000 0.417 456 F N 1.585 121.540 119.950 0.009 0.000 2.091 456 F HA -0.272 4.344 4.527 0.147 0.000 0.299 456 F C 2.378 178.191 175.800 0.023 0.000 1.103 456 F CA 1.875 59.877 58.000 0.003 0.000 1.228 456 F CB -0.181 38.780 39.000 -0.064 0.000 0.984 456 F HN -0.239 nan 8.300 nan 0.000 0.477 457 V N 0.074 120.149 119.914 0.267 0.000 2.270 457 V HA -0.311 3.896 4.120 0.145 0.000 0.245 457 V C 2.267 178.382 176.094 0.036 0.000 1.043 457 V CA 2.117 64.501 62.300 0.140 0.000 1.014 457 V CB -0.879 31.000 31.823 0.095 0.000 0.645 457 V HN 0.372 nan 8.190 nan 0.000 0.447 458 Q N 0.224 120.037 119.800 0.021 0.000 2.124 458 Q HA -0.203 4.224 4.340 0.145 0.000 0.202 458 Q C 2.028 177.976 176.000 -0.087 0.000 0.977 458 Q CA 1.735 57.525 55.803 -0.022 0.000 0.850 458 Q CB -0.244 28.490 28.738 -0.007 0.000 0.901 458 Q HN 0.579 nan 8.270 nan 0.000 0.429 459 E N -1.074 119.060 120.200 -0.109 0.000 2.285 459 E HA -0.101 4.336 4.350 0.145 0.000 0.194 459 E C 1.695 178.041 176.600 -0.423 0.000 0.997 459 E CA 0.697 56.950 56.400 -0.245 0.000 0.845 459 E CB -0.212 29.399 29.700 -0.149 0.000 0.782 459 E HN 0.566 nan 8.360 nan 0.000 0.491 460 H N 0.777 119.617 119.070 -0.383 0.000 2.363 460 H HA 0.065 4.707 4.556 0.144 0.000 0.301 460 H C 1.963 177.105 175.328 -0.309 0.000 1.074 460 H CA 1.601 57.422 56.048 -0.378 0.000 1.354 460 H CB -0.018 29.538 29.762 -0.344 0.000 1.397 460 H HN 0.197 nan 8.280 nan 0.000 0.516 461 A N 0.876 123.622 122.820 -0.123 0.000 1.883 461 A HA -0.230 4.177 4.320 0.145 0.000 0.217 461 A C 2.138 179.594 177.584 -0.214 0.000 1.186 461 A CA 1.905 53.862 52.037 -0.133 0.000 0.624 461 A CB -0.370 18.581 19.000 -0.082 0.000 0.822 461 A HN 0.406 nan 8.150 nan 0.000 0.444 462 N N 0.385 118.905 118.700 -0.301 0.000 2.084 462 N HA -0.091 4.736 4.740 0.145 0.000 0.190 462 N C 1.888 177.046 175.510 -0.586 0.000 1.030 462 N CA 1.655 54.487 53.050 -0.363 0.000 0.849 462 N CB -0.647 37.640 38.487 -0.333 0.000 1.012 462 N HN 0.463 nan 8.380 nan 0.000 0.423 463 A N 0.295 122.527 122.820 -0.979 0.000 1.969 463 A HA -0.106 4.301 4.320 0.145 0.000 0.218 463 A C 2.251 179.563 177.584 -0.454 0.000 1.169 463 A CA 2.161 53.684 52.037 -0.856 0.000 0.635 463 A CB -0.781 17.701 19.000 -0.863 0.000 0.810 463 A HN 0.522 nan 8.150 nan 0.000 0.445 464 T N -5.065 109.265 114.554 -0.374 0.000 3.037 464 T HA 0.388 4.826 4.350 0.145 0.000 0.251 464 T C 1.504 176.088 174.700 -0.193 0.000 1.079 464 T CA 1.119 63.054 62.100 -0.274 0.000 1.067 464 T CB 0.025 68.772 68.868 -0.202 0.000 0.948 464 T HN 1.651 nan 8.240 nan 0.000 0.496 465 G N 0.658 109.357 108.800 -0.169 0.000 2.155 465 G HA2 -0.256 3.791 3.960 0.145 0.000 0.257 465 G HA3 -0.256 3.791 3.960 0.145 0.000 0.257 465 G C 0.150 175.002 174.900 -0.080 0.000 0.983 465 G CA 0.039 45.076 45.100 -0.104 0.000 0.676 465 G HN 0.764 nan 8.290 nan 0.000 0.528 466 C N 0.738 119.984 119.300 -0.089 0.000 2.382 466 C HA 0.884 5.431 4.460 0.145 0.000 0.327 466 C C 1.251 176.207 174.990 -0.056 0.000 1.250 466 C CA -0.234 58.746 59.018 -0.063 0.000 1.707 466 C CB 0.944 28.648 27.740 -0.059 0.000 2.272 466 C HN 0.999 nan 8.230 nan 0.000 0.506 470 L N 4.334 125.537 121.223 -0.033 0.000 2.325 470 L HA 0.716 5.143 4.340 0.145 0.000 0.279 470 L C -2.094 174.755 176.870 -0.035 0.000 1.054 470 L CA -1.697 53.121 54.840 -0.037 0.000 0.804 470 L CB 1.428 43.469 42.059 -0.030 0.000 1.200 470 L HN 0.330 nan 8.230 nan 0.000 0.436 471 P HA 0.154 nan 4.420 nan 0.000 0.279 471 P C 0.118 177.404 177.300 -0.023 0.000 1.252 471 P CA -0.515 62.564 63.100 -0.036 0.000 0.811 471 P CB 1.209 32.884 31.700 -0.043 0.000 1.035 472 E N 0.056 120.246 120.200 -0.017 0.000 2.072 472 E HA -0.141 4.297 4.350 0.145 0.000 0.191 472 E C 0.348 176.953 176.600 0.009 0.000 0.985 472 E CA 0.965 57.363 56.400 -0.003 0.000 0.801 472 E CB 0.212 29.912 29.700 -0.000 0.000 0.750 472 E HN 0.372 nan 8.360 nan 0.000 0.452 473 E N 0.017 120.226 120.200 0.015 0.000 2.109 473 E HA 0.046 4.484 4.350 0.145 0.000 0.278 473 E C 0.305 176.921 176.600 0.027 0.000 0.954 473 E CA -0.080 56.347 56.400 0.045 0.000 0.779 473 E CB 1.579 31.331 29.700 0.087 0.000 1.093 473 E HN 0.165 nan 8.360 nan 0.000 0.401 474 S N 3.318 119.033 115.700 0.026 0.000 2.436 474 S HA -0.016 4.542 4.470 0.145 0.000 0.228 474 S C 0.651 175.258 174.600 0.012 0.000 1.014 474 S CA 0.317 58.519 58.200 0.003 0.000 0.950 474 S CB 0.132 63.328 63.200 -0.007 0.000 0.784 474 S HN 0.328 nan 8.310 nan 0.000 0.504 475 E N 2.882 123.116 120.200 0.056 0.000 2.467 475 E HA 0.460 4.897 4.350 0.145 0.000 0.321 475 E C 0.682 177.316 176.600 0.057 0.000 1.388 475 E CA 0.021 56.469 56.400 0.079 0.000 1.508 475 E CB -0.433 29.364 29.700 0.161 0.000 1.250 475 E HN 0.619 nan 8.360 nan 0.000 0.500 479 L N 1.177 122.238 121.223 -0.271 0.000 2.056 479 L HA 0.134 4.561 4.340 0.145 0.000 0.207 479 L C 2.107 178.697 176.870 -0.467 0.000 1.078 479 L CA 2.698 57.080 54.840 -0.764 0.000 0.749 479 L CB -0.834 40.931 42.059 -0.489 0.000 0.901 479 L HN 0.210 nan 8.230 nan 0.000 0.433 480 G N -1.411 107.238 108.800 -0.252 0.000 2.440 480 G HA2 -0.251 3.797 3.960 0.145 0.000 0.218 480 G HA3 -0.251 3.797 3.960 0.145 0.000 0.218 480 G C 1.565 176.375 174.900 -0.150 0.000 1.154 480 G CA 0.929 45.922 45.100 -0.179 0.000 0.767 480 G HN 0.484 nan 8.290 nan 0.000 0.552 481 S N 0.898 116.527 115.700 -0.118 0.000 2.368 481 S HA 0.228 4.786 4.470 0.145 0.000 0.224 481 S C 1.889 176.432 174.600 -0.095 0.000 1.029 481 S CA 0.531 58.686 58.200 -0.075 0.000 0.988 481 S CB -0.330 62.844 63.200 -0.044 0.000 0.838 481 S HN 0.723 nan 8.310 nan 0.000 0.462 486 T N 0.249 114.723 114.554 -0.134 0.000 2.867 486 T HA -0.012 4.425 4.350 0.145 0.000 0.268 486 T C 2.248 176.941 174.700 -0.011 0.000 1.057 486 T CA 2.063 63.982 62.100 -0.301 0.000 1.136 486 T CB -0.290 68.294 68.868 -0.474 0.000 0.874 486 T HN 0.148 nan 8.240 nan 0.000 0.466 487 V N 2.132 122.060 119.914 0.023 0.000 2.323 487 V HA 0.064 4.271 4.120 0.145 0.000 0.244 487 V C 3.315 179.439 176.094 0.051 0.000 1.041 487 V CA 1.347 63.676 62.300 0.049 0.000 1.025 487 V CB -1.471 30.368 31.823 0.027 0.000 0.656 487 V HN 0.662 nan 8.190 nan 0.000 0.451 488 A N 0.395 123.249 122.820 0.057 0.000 1.917 488 A HA -0.172 4.235 4.320 0.145 0.000 0.219 488 A C 2.266 179.900 177.584 0.082 0.000 1.182 488 A CA 2.179 54.256 52.037 0.067 0.000 0.633 488 A CB -0.765 18.282 19.000 0.078 0.000 0.819 488 A HN 0.619 nan 8.150 nan 0.000 0.448 489 A N -1.954 120.940 122.820 0.124 0.000 2.239 489 A HA 0.377 4.784 4.320 0.145 0.000 0.209 489 A C 1.967 179.603 177.584 0.087 0.000 1.171 489 A CA 1.276 53.394 52.037 0.136 0.000 0.768 489 A CB -1.101 18.059 19.000 0.266 0.000 0.790 489 A HN 1.963 nan 8.150 nan 0.000 0.478 490 G N -1.819 107.017 108.800 0.060 0.000 2.189 490 G HA2 -0.327 3.720 3.960 0.145 0.000 0.267 490 G HA3 -0.327 3.720 3.960 0.145 0.000 0.267 490 G C 1.059 175.953 174.900 -0.011 0.000 0.975 490 G CA 0.697 45.814 45.100 0.029 0.000 0.644 490 G HN 0.632 nan 8.290 nan 0.000 0.537 491 V N -0.621 119.271 119.914 -0.036 0.000 2.295 491 V HA 0.109 4.316 4.120 0.145 0.000 0.246 491 V C 1.516 177.370 176.094 -0.399 0.000 1.049 491 V CA 1.971 64.147 62.300 -0.207 0.000 1.024 491 V CB -0.404 31.285 31.823 -0.224 0.000 0.648 491 V HN 0.356 nan 8.190 nan 0.000 0.447 492 F N -0.584 119.327 119.950 -0.066 0.000 2.470 492 F HA 0.351 4.966 4.527 0.146 0.000 0.329 492 F C 1.352 177.124 175.800 -0.046 0.000 1.072 492 F CA -0.515 57.443 58.000 -0.069 0.000 0.989 492 F CB 1.269 40.202 39.000 -0.112 0.000 1.193 492 F HN -0.098 nan 8.300 nan 0.000 0.481 493 E N 0.292 120.595 120.200 0.171 0.000 2.385 493 E HA 0.033 4.470 4.350 0.145 0.000 0.194 493 E C 0.083 176.719 176.600 0.060 0.000 1.013 493 E CA 0.384 56.834 56.400 0.083 0.000 0.866 493 E CB 0.422 30.159 29.700 0.062 0.000 0.832 493 E HN 0.555 nan 8.360 nan 0.000 0.500 494 S N -1.361 114.374 115.700 0.058 0.000 2.656 494 S HA 0.308 4.865 4.470 0.145 0.000 0.273 494 S C 0.491 175.074 174.600 -0.028 0.000 1.168 494 S CA -0.815 57.392 58.200 0.013 0.000 0.817 494 S CB 0.922 64.125 63.200 0.005 0.000 1.146 494 S HN 0.005 nan 8.310 nan 0.000 0.475 495 L N 0.718 121.911 121.223 -0.050 0.000 2.044 495 L HA 0.122 4.549 4.340 0.145 0.000 0.205 495 L C -0.872 175.916 176.870 -0.137 0.000 1.075 495 L CA 0.951 55.734 54.840 -0.096 0.000 0.747 495 L CB -1.407 40.603 42.059 -0.082 0.000 0.903 495 L HN 0.524 nan 8.230 nan 0.000 0.435 496 P HA -0.232 nan 4.420 nan 0.000 0.216 496 P C 1.345 178.551 177.300 -0.156 0.000 1.153 496 P CA 1.400 64.431 63.100 -0.116 0.000 0.858 496 P CB 0.084 31.746 31.700 -0.063 0.000 0.789 497 E N -0.207 119.905 120.200 -0.147 0.000 2.033 497 E HA -0.144 4.294 4.350 0.145 0.000 0.199 497 E C 1.031 177.331 176.600 -0.500 0.000 1.011 497 E CA 0.834 57.111 56.400 -0.204 0.000 0.815 497 E CB -0.486 29.171 29.700 -0.073 0.000 0.755 497 E HN 0.103 nan 8.360 nan 0.000 0.451 504 R N 1.018 121.485 120.500 -0.055 0.000 2.764 504 R HA 0.660 5.087 4.340 0.145 0.000 0.270 504 R C -1.339 174.939 176.300 -0.036 0.000 1.014 504 R CA -1.171 54.902 56.100 -0.044 0.000 0.904 504 R CB 0.806 31.086 30.300 -0.033 0.000 1.236 504 R HN 0.597 nan 8.270 nan 0.000 0.466 505 I N 1.324 121.874 120.570 -0.033 0.000 2.556 505 I HA 0.149 4.406 4.170 0.145 0.000 0.284 505 I C 1.288 177.393 176.117 -0.020 0.000 1.114 505 I CA 0.334 61.617 61.300 -0.028 0.000 1.418 505 I CB 1.333 39.317 38.000 -0.027 0.000 1.394 505 I HN 0.995 nan 8.210 nan 0.000 0.552 506 G N 5.404 114.193 108.800 -0.018 0.000 2.673 506 G HA2 0.090 4.137 3.960 0.145 0.000 0.208 506 G HA3 0.090 4.137 3.960 0.145 0.000 0.208 506 G C 0.398 175.292 174.900 -0.011 0.000 1.128 506 G CA 0.104 45.197 45.100 -0.012 0.000 0.805 506 G HN 0.537 nan 8.290 nan 0.000 0.526 507 K N 0.053 120.445 120.400 -0.014 0.000 2.550 507 K HA 0.452 4.859 4.320 0.145 0.000 0.252 507 K C -1.775 174.816 176.600 -0.014 0.000 0.943 507 K CA -0.453 55.828 56.287 -0.011 0.000 0.806 507 K CB 1.936 34.431 32.500 -0.008 0.000 1.289 507 K HN -0.026 nan 8.250 nan 0.000 0.435 508 T N 2.595 117.142 114.554 -0.011 0.000 2.786 508 T HA 0.354 4.792 4.350 0.145 0.000 0.283 508 T C -1.082 173.611 174.700 -0.011 0.000 0.992 508 T CA -0.490 61.602 62.100 -0.013 0.000 0.954 508 T CB 1.201 70.061 68.868 -0.013 0.000 0.934 508 T HN 0.234 nan 8.240 nan 0.000 0.440 509 V N 5.026 124.933 119.914 -0.013 0.000 2.334 509 V HA 0.415 4.622 4.120 0.145 0.000 0.281 509 V C 0.784 176.866 176.094 -0.019 0.000 1.016 509 V CA -0.883 61.410 62.300 -0.012 0.000 0.832 509 V CB 1.211 33.029 31.823 -0.007 0.000 0.999 509 V HN 1.072 nan 8.190 nan 0.000 0.439 510 T N 4.282 118.826 114.554 -0.017 0.000 2.899 510 T HA 0.565 5.002 4.350 0.145 0.000 0.284 510 T C -2.595 172.089 174.700 -0.027 0.000 1.004 510 T CA -2.110 59.978 62.100 -0.021 0.000 1.043 510 T CB 1.499 70.359 68.868 -0.013 0.000 1.013 510 T HN 0.362 nan 8.240 nan 0.000 0.518 511 P HA 0.165 nan 4.420 nan 0.000 0.268 511 P C 0.167 177.458 177.300 -0.014 0.000 1.208 511 P CA -0.271 62.805 63.100 -0.040 0.000 0.777 511 P CB 0.501 32.175 31.700 -0.042 0.000 0.875 512 Q N -0.038 119.760 119.800 -0.002 0.000 3.052 512 Q HA 0.218 4.645 4.340 0.145 0.000 0.218 512 Q C 0.590 176.610 176.000 0.033 0.000 1.162 512 Q CA -0.267 55.546 55.803 0.016 0.000 0.379 512 Q CB -0.623 28.126 28.738 0.018 0.000 5.651 512 Q HN 0.525 nan 8.270 nan 0.000 0.323 513 T N -1.990 112.595 114.554 0.052 0.000 2.766 513 T HA 0.073 4.510 4.350 0.145 0.000 0.295 513 T C 0.621 175.368 174.700 0.079 0.000 1.024 513 T CA -0.008 62.129 62.100 0.062 0.000 1.018 513 T CB 0.287 69.200 68.868 0.076 0.000 1.002 513 T HN 0.422 nan 8.240 nan 0.000 0.532 514 N N -0.133 118.610 118.700 0.072 0.000 2.223 514 N HA -0.108 4.719 4.740 0.145 0.000 0.185 514 N C 2.004 177.581 175.510 0.112 0.000 1.016 514 N CA 0.742 53.838 53.050 0.077 0.000 0.863 514 N CB -0.111 38.411 38.487 0.058 0.000 0.983 514 N HN 0.629 nan 8.380 nan 0.000 0.429 515 K N 1.309 121.786 120.400 0.128 0.000 2.026 515 K HA -0.098 4.309 4.320 0.145 0.000 0.208 515 K C 1.904 178.679 176.600 0.293 0.000 1.048 515 K CA 1.050 57.444 56.287 0.179 0.000 0.929 515 K CB -0.030 32.564 32.500 0.157 0.000 0.713 515 K HN 0.119 nan 8.250 nan 0.000 0.439 516 I N 1.062 121.794 120.570 0.270 0.000 2.179 516 I HA -0.291 3.967 4.170 0.145 0.000 0.242 516 I C 2.251 178.551 176.117 0.306 0.000 1.088 516 I CA 1.374 62.812 61.300 0.231 0.000 1.357 516 I CB -0.150 37.912 38.000 0.104 0.000 1.051 516 I HN 0.154 nan 8.210 nan 0.000 0.409 517 K N 0.791 121.327 120.400 0.227 0.000 2.063 517 K HA -0.153 4.254 4.320 0.145 0.000 0.208 517 K C 2.199 178.924 176.600 0.208 0.000 1.048 517 K CA 1.557 57.966 56.287 0.203 0.000 0.928 517 K CB -0.262 32.298 32.500 0.100 0.000 0.713 517 K HN 0.325 nan 8.250 nan 0.000 0.442 518 A N 0.360 123.294 122.820 0.190 0.000 1.969 518 A HA -0.175 4.233 4.320 0.145 0.000 0.218 518 A C 1.988 179.681 177.584 0.183 0.000 1.169 518 A CA 1.018 53.150 52.037 0.158 0.000 0.635 518 A CB -0.628 18.452 19.000 0.133 0.000 0.810 518 A HN 0.445 nan 8.150 nan 0.000 0.445 519 Y N -0.846 119.527 120.300 0.122 0.000 2.181 519 Y HA -0.276 4.383 4.550 0.181 0.000 0.288 519 Y C 2.046 177.915 175.900 -0.052 0.000 1.146 519 Y CA 2.071 60.208 58.100 0.063 0.000 1.164 519 Y CB -0.451 38.069 38.460 0.100 0.000 0.982 519 Y HN 0.361 nan 8.280 nan 0.000 0.515 520 Y N 0.545 120.873 120.300 0.047 0.000 2.314 520 Y HA -0.172 4.458 4.550 0.132 0.000 0.293 520 Y C 2.233 178.100 175.900 -0.055 0.000 1.129 520 Y CA 1.476 59.533 58.100 -0.073 0.000 1.201 520 Y CB -0.470 37.967 38.460 -0.039 0.000 0.999 520 Y HN 0.182 nan 8.280 nan 0.000 0.541 521 D N -0.253 120.222 120.400 0.125 0.000 2.123 521 D HA -0.152 4.575 4.640 0.145 0.000 0.196 521 D C 2.122 178.477 176.300 0.091 0.000 0.992 521 D CA 1.236 55.304 54.000 0.115 0.000 0.833 521 D CB -0.164 40.690 40.800 0.091 0.000 0.954 521 D HN 0.349 nan 8.370 nan 0.000 0.455 522 R N 0.524 121.021 120.500 -0.004 0.000 2.073 522 R HA -0.002 4.425 4.340 0.145 0.000 0.229 522 R C 2.168 178.417 176.300 -0.086 0.000 1.120 522 R CA 0.621 56.691 56.100 -0.050 0.000 0.967 522 R CB -0.026 30.226 30.300 -0.079 0.000 0.862 522 R HN 0.085 nan 8.270 nan 0.000 0.436 523 K N 0.357 120.646 120.400 -0.186 0.000 2.103 523 K HA -0.204 4.204 4.320 0.145 0.000 0.207 523 K C 1.972 178.617 176.600 0.074 0.000 1.048 523 K CA 1.309 57.528 56.287 -0.113 0.000 0.930 523 K CB -0.459 31.919 32.500 -0.204 0.000 0.716 523 K HN 0.230 nan 8.250 nan 0.000 0.444 524 Y N 2.079 122.368 120.300 -0.018 0.000 2.242 524 Y HA -0.145 4.493 4.550 0.145 0.000 0.291 524 Y C 2.249 178.241 175.900 0.153 0.000 1.137 524 Y CA 1.282 59.411 58.100 0.048 0.000 1.181 524 Y CB -0.061 38.410 38.460 0.019 0.000 0.989 524 Y HN -0.015 nan 8.280 nan 0.000 0.527 525 R N -1.053 119.487 120.500 0.066 0.000 2.081 525 R HA -0.130 4.298 4.340 0.145 0.000 0.235 525 R C 2.169 178.449 176.300 -0.033 0.000 1.131 525 R CA 1.639 57.731 56.100 -0.013 0.000 0.960 525 R CB -0.615 29.681 30.300 -0.008 0.000 0.856 525 R HN 0.225 nan 8.270 nan 0.000 0.436 526 V N 0.735 120.605 119.914 -0.074 0.000 2.358 526 V HA -0.246 3.962 4.120 0.145 0.000 0.246 526 V C 1.931 177.969 176.094 -0.094 0.000 1.047 526 V CA 1.693 63.896 62.300 -0.162 0.000 1.035 526 V CB -0.592 30.968 31.823 -0.438 0.000 0.658 526 V HN 0.217 nan 8.190 nan 0.000 0.452 527 F N 0.927 120.764 119.950 -0.189 0.000 2.091 527 F HA -0.285 4.331 4.527 0.148 0.000 0.299 527 F C 2.372 177.996 175.800 -0.292 0.000 1.103 527 F CA 2.456 60.326 58.000 -0.217 0.000 1.228 527 F CB -0.407 38.483 39.000 -0.184 0.000 0.984 527 F HN 0.236 nan 8.300 nan 0.000 0.477 528 H N -0.991 117.973 119.070 -0.176 0.000 2.357 528 H HA -0.086 4.556 4.556 0.144 0.000 0.301 528 H C 1.264 176.522 175.328 -0.117 0.000 1.082 528 H CA 1.127 57.029 56.048 -0.243 0.000 1.342 528 H CB -0.311 29.283 29.762 -0.279 0.000 1.389 528 H HN 0.245 nan 8.280 nan 0.000 0.511 532 H N 1.338 120.307 119.070 -0.169 0.000 2.387 532 H HA -0.081 4.562 4.556 0.145 0.000 0.299 532 H C 0.901 176.028 175.328 -0.334 0.000 1.090 532 H CA 1.874 57.768 56.048 -0.257 0.000 1.332 532 H CB -0.072 29.642 29.762 -0.080 0.000 1.386 532 H HN 0.503 nan 8.280 nan 0.000 0.516 533 D N 0.043 120.307 120.400 -0.227 0.000 2.117 533 D HA -0.102 4.626 4.640 0.145 0.000 0.198 533 D C 1.312 177.076 176.300 -0.893 0.000 0.982 533 D CA 0.718 54.417 54.000 -0.501 0.000 0.828 533 D CB -0.622 39.959 40.800 -0.365 0.000 0.967 533 D HN 0.467 nan 8.370 nan 0.000 0.464 537 Y N 2.077 122.285 120.300 -0.153 0.000 2.165 537 Y HA -0.125 4.512 4.550 0.145 0.000 0.286 537 Y C 2.389 178.191 175.900 -0.163 0.000 1.155 537 Y CA 1.870 59.881 58.100 -0.149 0.000 1.164 537 Y CB -0.952 37.409 38.460 -0.165 0.000 0.978 537 Y HN 0.315 nan 8.280 nan 0.000 0.513 538 Q N -0.032 119.707 119.800 -0.101 0.000 2.096 538 Q HA -0.200 4.227 4.340 0.145 0.000 0.204 538 Q C 2.402 178.364 176.000 -0.063 0.000 0.982 538 Q CA 1.768 57.499 55.803 -0.119 0.000 0.850 538 Q CB -0.258 28.359 28.738 -0.202 0.000 0.901 538 Q HN 0.472 nan 8.270 nan 0.000 0.422 539 A N 0.474 123.254 122.820 -0.066 0.000 1.930 539 A HA -0.023 4.384 4.320 0.145 0.000 0.217 539 A C 1.210 178.782 177.584 -0.020 0.000 1.175 539 A CA 0.550 52.562 52.037 -0.041 0.000 0.627 539 A CB -0.527 18.444 19.000 -0.048 0.000 0.815 539 A HN 0.355 nan 8.150 nan 0.000 0.443 542 Q N 0.000 119.792 119.800 -0.013 0.000 2.315 542 Q HA 0.000 4.427 4.340 0.145 0.000 0.214 542 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 542 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 542 Q HN 0.000 nan 8.270 nan 0.000 0.481