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 3o7z_1_B DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQMRPET DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSDPXXXX DATA SEQUENCE XXXXNTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDXX DATA SEQUENCE XXXXXXIPNE FGGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE 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 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.526 174.700 -0.290 0.000 1.109 117 T CA 0.000 61.878 62.100 -0.369 0.000 1.349 117 T CB 0.000 68.498 68.868 -0.616 0.000 0.612 118 H N 0.685 119.746 119.070 -0.015 0.000 2.547 118 H HA 0.545 5.100 4.556 -0.001 0.000 0.266 118 H C 1.787 177.137 175.328 0.037 0.000 0.988 118 H CA 0.105 56.152 56.048 -0.002 0.000 1.147 118 H CB -0.700 29.063 29.762 0.001 0.000 1.365 118 H HN 0.368 nan 8.280 nan 0.000 0.589 119 L N 0.012 121.348 121.223 0.188 0.000 2.217 119 L HA 0.076 4.415 4.340 -0.001 0.000 0.211 119 L C 0.542 177.519 176.870 0.179 0.000 1.107 119 L CA 0.876 55.831 54.840 0.192 0.000 0.783 119 L CB 0.059 42.207 42.059 0.149 0.000 0.919 119 L HN 0.177 nan 8.230 nan 0.000 0.442 120 R N -0.420 120.108 120.500 0.047 0.000 2.587 120 R HA 0.204 4.543 4.340 -0.001 0.000 0.283 120 R C -1.967 174.179 176.300 -0.256 0.000 1.472 120 R CA -1.368 54.650 56.100 -0.136 0.000 1.578 120 R CB 0.828 30.893 30.300 -0.392 0.000 1.130 120 R HN -0.069 nan 8.270 nan 0.000 0.602 121 P HA -0.139 nan 4.420 nan 0.000 0.225 121 P C 0.644 177.891 177.300 -0.088 0.000 1.156 121 P CA 0.767 63.871 63.100 0.007 0.000 0.787 121 P CB 0.033 31.864 31.700 0.217 0.000 0.802 122 Y N -0.386 120.033 120.300 0.199 0.000 2.569 122 Y HA 0.006 4.555 4.550 -0.001 0.000 0.293 122 Y C 1.651 177.711 175.900 0.266 0.000 1.144 122 Y CA 0.562 58.823 58.100 0.267 0.000 1.321 122 Y CB -1.532 37.174 38.460 0.408 0.000 0.982 122 Y HN 0.015 nan 8.280 nan 0.000 0.558 123 E N 0.519 120.528 120.200 -0.318 0.000 2.112 123 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 123 E C 1.878 178.234 176.600 -0.408 0.000 0.979 123 E CA 1.609 57.830 56.400 -0.298 0.000 0.814 123 E CB -0.000 29.466 29.700 -0.389 0.000 0.762 123 E HN 0.677 nan 8.360 nan 0.000 0.460 124 T N -1.902 112.484 114.554 -0.280 0.000 3.001 124 T HA 0.238 4.587 4.350 -0.001 0.000 0.251 124 T C 0.743 175.388 174.700 -0.090 0.000 1.040 124 T CA -0.245 61.703 62.100 -0.253 0.000 0.985 124 T CB 0.173 68.943 68.868 -0.164 0.000 1.011 124 T HN -0.131 nan 8.240 nan 0.000 0.509 125 L N 1.417 122.602 121.223 -0.063 0.000 2.360 125 L HA 0.659 4.999 4.340 -0.001 0.000 0.271 125 L C 1.145 178.078 176.870 0.105 0.000 1.057 125 L CA 0.266 55.043 54.840 -0.106 0.000 0.803 125 L CB 1.200 42.908 42.059 -0.585 0.000 1.207 125 L HN 0.627 nan 8.230 nan 0.000 0.445 126 G N 1.612 110.489 108.800 0.129 0.000 2.512 126 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.210 126 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.210 126 G C -0.826 174.128 174.900 0.089 0.000 1.295 126 G CA -0.305 44.880 45.100 0.141 0.000 0.934 126 G HN 0.957 nan 8.290 nan 0.000 0.554 127 A N 0.599 123.346 122.820 -0.122 0.000 2.260 127 A HA 0.762 5.081 4.320 -0.001 0.000 0.308 127 A C -0.121 177.192 177.584 -0.451 0.000 1.254 127 A CA -0.202 51.570 52.037 -0.443 0.000 0.874 127 A CB 0.330 18.969 19.000 -0.601 0.000 1.153 127 A HN 0.935 nan 8.150 nan 0.000 0.527 128 H N 1.201 120.166 119.070 -0.175 0.000 2.806 128 H HA 0.530 5.086 4.556 -0.001 0.000 0.367 128 H C 0.003 175.271 175.328 -0.101 0.000 1.136 128 H CA -0.257 55.755 56.048 -0.061 0.000 1.178 128 H CB 2.114 31.872 29.762 -0.007 0.000 1.718 128 H HN 0.843 nan 8.280 nan 0.000 0.540 129 A N 2.225 125.081 122.820 0.061 0.000 2.425 129 A HA 0.325 4.645 4.320 -0.001 0.000 0.249 129 A C -0.070 177.564 177.584 0.083 0.000 1.084 129 A CA 0.387 52.452 52.037 0.047 0.000 0.781 129 A CB 0.224 19.252 19.000 0.046 0.000 1.019 129 A HN 0.733 nan 8.150 nan 0.000 0.490 130 D N -0.935 119.544 120.400 0.131 0.000 2.677 130 D HA 0.627 5.266 4.640 -0.001 0.000 0.298 130 D C -1.380 174.985 176.300 0.109 0.000 1.250 130 D CA -0.035 54.022 54.000 0.096 0.000 0.888 130 D CB 1.832 42.678 40.800 0.077 0.000 1.397 130 D HN 0.321 nan 8.370 nan 0.000 0.461 131 T N 1.587 116.092 114.554 -0.081 0.000 3.089 131 T HA 0.247 4.597 4.350 -0.001 0.000 0.340 131 T C -0.368 174.135 174.700 -0.328 0.000 1.008 131 T CA -0.584 61.443 62.100 -0.121 0.000 1.096 131 T CB 0.506 69.349 68.868 -0.042 0.000 1.024 131 T HN 0.203 nan 8.240 nan 0.000 0.477 132 M N 3.111 122.306 119.600 -0.675 0.000 2.383 132 M HA 0.145 4.624 4.480 -0.001 0.000 0.337 132 M C 0.393 176.553 176.300 -0.233 0.000 1.422 132 M CA 0.030 54.987 55.300 -0.572 0.000 1.333 132 M CB -0.990 31.076 32.600 -0.890 0.000 1.488 132 M HN 0.642 nan 8.290 nan 0.000 0.454 133 D N 2.844 123.151 120.400 -0.155 0.000 2.890 133 D HA -0.185 4.455 4.640 -0.001 0.000 0.226 133 D C 1.073 177.348 176.300 -0.041 0.000 1.207 133 D CA 1.867 55.820 54.000 -0.078 0.000 0.764 133 D CB -0.486 40.277 40.800 -0.060 0.000 0.948 133 D HN 1.074 nan 8.370 nan 0.000 0.404 134 G N -1.325 107.455 108.800 -0.033 0.000 2.493 134 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.206 134 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.206 134 G C 0.236 175.152 174.900 0.027 0.000 1.109 134 G CA -0.069 45.030 45.100 -0.001 0.000 0.689 134 G HN 0.817 nan 8.290 nan 0.000 0.516 135 V N 3.140 123.087 119.914 0.055 0.000 2.439 135 V HA 0.618 4.738 4.120 -0.001 0.000 0.282 135 V C 1.081 177.304 176.094 0.215 0.000 1.039 135 V CA 0.164 62.543 62.300 0.131 0.000 0.913 135 V CB 1.177 33.116 31.823 0.193 0.000 0.983 135 V HN 0.934 nan 8.190 nan 0.000 0.460 136 T N 2.154 116.812 114.554 0.173 0.000 2.882 136 T HA 0.804 5.154 4.350 -0.001 0.000 0.287 136 T C 0.266 175.094 174.700 0.214 0.000 1.014 136 T CA 0.379 62.594 62.100 0.193 0.000 1.049 136 T CB 1.625 70.549 68.868 0.093 0.000 1.001 136 T HN 1.310 nan 8.240 nan 0.000 0.525 137 G N 0.799 109.716 108.800 0.195 0.000 2.364 137 G HA2 0.528 4.488 3.960 -0.001 0.000 0.286 137 G HA3 0.528 4.488 3.960 -0.001 0.000 0.286 137 G C -0.798 174.071 174.900 -0.053 0.000 1.241 137 G CA -0.226 44.816 45.100 -0.097 0.000 0.887 137 G HN 1.364 nan 8.290 nan 0.000 0.484 138 T N -1.813 112.574 114.554 -0.280 0.000 2.881 138 T HA 0.716 5.066 4.350 -0.001 0.000 0.290 138 T C -0.456 174.090 174.700 -0.258 0.000 1.000 138 T CA -0.612 61.320 62.100 -0.280 0.000 0.978 138 T CB 2.499 71.039 68.868 -0.546 0.000 0.997 138 T HN 0.686 nan 8.240 nan 0.000 0.443 139 R N 2.000 122.450 120.500 -0.083 0.000 2.357 139 R HA 0.609 4.949 4.340 -0.001 0.000 0.296 139 R C -1.326 174.872 176.300 -0.169 0.000 1.052 139 R CA -0.601 55.537 56.100 0.063 0.000 0.988 139 R CB 0.432 30.828 30.300 0.159 0.000 1.025 139 R HN 0.617 nan 8.270 nan 0.000 0.469 140 F N 0.923 120.935 119.950 0.104 0.000 2.507 140 F HA 0.475 5.002 4.527 -0.001 0.000 0.327 140 F C -0.082 175.853 175.800 0.225 0.000 1.068 140 F CA -0.436 57.658 58.000 0.157 0.000 0.965 140 F CB 2.564 41.657 39.000 0.154 0.000 1.192 140 F HN 0.386 nan 8.300 nan 0.000 0.476 141 S N 1.391 117.356 115.700 0.442 0.000 2.592 141 S HA 0.571 5.041 4.470 -0.001 0.000 0.275 141 S C -1.682 173.086 174.600 0.281 0.000 1.169 141 S CA -0.678 57.709 58.200 0.312 0.000 0.958 141 S CB 1.905 65.227 63.200 0.204 0.000 1.095 141 S HN 0.517 nan 8.310 nan 0.000 0.471 142 V N 3.852 123.898 119.914 0.220 0.000 2.760 142 V HA 0.703 4.823 4.120 -0.001 0.000 0.309 142 V C -1.754 174.562 176.094 0.369 0.000 1.077 142 V CA -0.618 61.789 62.300 0.178 0.000 0.910 142 V CB 1.657 33.306 31.823 -0.289 0.000 1.008 142 V HN 0.955 nan 8.190 nan 0.000 0.424 143 W N 6.766 128.205 121.300 0.231 0.000 2.311 143 W HA 0.688 5.348 4.660 -0.000 0.000 0.310 143 W C 0.075 176.811 176.519 0.361 0.000 1.274 143 W CA -0.135 57.358 57.345 0.248 0.000 1.215 143 W CB 1.154 30.723 29.460 0.182 0.000 1.227 143 W HN 0.937 nan 8.180 nan 0.000 0.523 144 A N 8.793 131.568 122.820 -0.075 0.000 2.881 144 A HA 0.211 4.531 4.320 -0.001 0.000 0.265 144 A C -1.838 175.729 177.584 -0.030 0.000 1.297 144 A CA -0.661 51.312 52.037 -0.107 0.000 0.989 144 A CB 0.027 19.100 19.000 0.121 0.000 1.421 144 A HN 0.420 nan 8.150 nan 0.000 0.688 145 P HA -0.170 nan 4.420 nan 0.000 0.217 145 P C 0.775 178.067 177.300 -0.014 0.000 1.148 145 P CA 1.384 64.411 63.100 -0.123 0.000 0.828 145 P CB 0.230 31.845 31.700 -0.142 0.000 0.783 146 N N -0.692 117.990 118.700 -0.030 0.000 2.356 146 N HA 0.095 4.835 4.740 -0.001 0.000 0.178 146 N C 0.790 176.333 175.510 0.055 0.000 1.075 146 N CA 0.047 53.099 53.050 0.004 0.000 0.889 146 N CB 0.111 38.572 38.487 -0.043 0.000 0.999 146 N HN 0.065 nan 8.380 nan 0.000 0.464 147 A N 1.376 124.247 122.820 0.085 0.000 2.511 147 A HA 0.100 4.420 4.320 -0.001 0.000 0.242 147 A C 1.185 178.882 177.584 0.188 0.000 1.069 147 A CA -0.094 51.966 52.037 0.037 0.000 0.763 147 A CB 0.366 19.290 19.000 -0.128 0.000 1.001 147 A HN 0.214 nan 8.150 nan 0.000 0.498 148 R N 0.405 120.953 120.500 0.079 0.000 2.153 148 R HA 0.058 4.398 4.340 -0.001 0.000 0.218 148 R C 0.720 177.117 176.300 0.160 0.000 1.072 148 R CA 0.783 56.970 56.100 0.145 0.000 0.990 148 R CB 0.133 30.467 30.300 0.057 0.000 0.889 148 R HN 0.632 nan 8.270 nan 0.000 0.452 149 R N 0.550 120.970 120.500 -0.134 0.000 2.536 149 R HA 0.258 4.598 4.340 -0.001 0.000 0.269 149 R C -2.071 173.814 176.300 -0.692 0.000 1.113 149 R CA -0.332 55.542 56.100 -0.377 0.000 0.948 149 R CB 1.912 32.140 30.300 -0.120 0.000 1.237 149 R HN -0.104 nan 8.270 nan 0.000 0.441 150 V N 2.186 121.446 119.914 -1.089 0.000 2.656 150 V HA 0.637 4.757 4.120 -0.001 0.000 0.307 150 V C -0.265 175.637 176.094 -0.319 0.000 1.051 150 V CA -0.686 61.161 62.300 -0.754 0.000 0.893 150 V CB 2.242 33.399 31.823 -1.111 0.000 0.999 150 V HN 0.827 nan 8.190 nan 0.000 0.426 151 S N 1.701 117.342 115.700 -0.099 0.000 2.632 151 S HA 0.729 5.199 4.470 -0.001 0.000 0.289 151 S C -0.779 173.879 174.600 0.097 0.000 1.115 151 S CA -0.693 57.520 58.200 0.021 0.000 0.889 151 S CB 2.233 65.439 63.200 0.009 0.000 1.116 151 S HN 0.478 nan 8.310 nan 0.000 0.486 152 V N 2.652 122.589 119.914 0.038 0.000 2.333 152 V HA 0.467 4.586 4.120 -0.001 0.000 0.274 152 V C -0.058 175.973 176.094 -0.105 0.000 1.028 152 V CA -0.637 61.594 62.300 -0.116 0.000 0.851 152 V CB 0.697 32.264 31.823 -0.427 0.000 1.000 152 V HN 0.702 nan 8.190 nan 0.000 0.456 153 V N 2.577 122.376 119.914 -0.192 0.000 2.630 153 V HA 1.132 5.252 4.120 -0.001 0.000 0.305 153 V C 0.312 175.847 176.094 -0.931 0.000 1.046 153 V CA 0.162 62.248 62.300 -0.357 0.000 0.934 153 V CB 1.192 32.995 31.823 -0.032 0.000 1.003 153 V HN 1.082 nan 8.190 nan 0.000 0.451 154 G N 2.414 110.202 108.800 -1.687 0.000 2.342 154 G HA2 0.274 4.234 3.960 -0.001 0.000 0.297 154 G HA3 0.274 4.234 3.960 -0.001 0.000 0.297 154 G C -0.402 173.226 174.900 -2.120 0.000 1.313 154 G CA -0.141 43.576 45.100 -2.305 0.000 0.830 154 G HN 0.598 nan 8.290 nan 0.000 0.506 155 Q N -0.786 118.175 119.800 -1.399 0.000 2.291 155 Q HA -0.038 4.302 4.340 -0.001 0.000 0.206 155 Q C 2.085 177.592 176.000 -0.821 0.000 0.976 155 Q CA 1.985 57.308 55.803 -0.800 0.000 0.875 155 Q CB -0.265 28.282 28.738 -0.319 0.000 0.927 155 Q HN 0.631 nan 8.270 nan 0.000 0.450 156 F N -0.997 118.634 119.950 -0.533 0.000 2.407 156 F HA 0.081 4.608 4.527 -0.001 0.000 0.299 156 F C 1.272 176.812 175.800 -0.434 0.000 1.097 156 F CA 0.302 58.040 58.000 -0.436 0.000 1.422 156 F CB -0.077 38.759 39.000 -0.274 0.000 1.067 156 F HN -0.063 nan 8.300 nan 0.000 0.539 157 N N -0.892 117.443 118.700 -0.609 0.000 2.205 157 N HA 0.010 4.750 4.740 -0.001 0.000 0.201 157 N C -0.444 174.963 175.510 -0.172 0.000 1.128 157 N CA -0.058 52.841 53.050 -0.252 0.000 0.867 157 N CB -0.242 38.112 38.487 -0.222 0.000 0.996 157 N HN 0.361 nan 8.380 nan 0.000 0.503 158 Y N -1.132 119.018 120.300 -0.251 0.000 4.079 158 Y HA -0.290 4.260 4.550 -0.001 0.000 0.223 158 Y C -0.723 175.221 175.900 0.074 0.000 1.155 158 Y CA 0.319 58.381 58.100 -0.064 0.000 1.805 158 Y CB -2.769 35.702 38.460 0.018 0.000 1.571 158 Y HN 0.118 nan 8.280 nan 0.000 0.654 159 W N -0.696 120.541 121.300 -0.105 0.000 3.091 159 W HA -0.004 4.656 4.660 -0.001 0.000 0.448 159 W C -0.063 176.433 176.519 -0.038 0.000 1.848 159 W CA 0.907 58.194 57.345 -0.097 0.000 0.462 159 W CB -0.581 28.833 29.460 -0.076 0.000 2.859 159 W HN 0.420 nan 8.180 nan 0.000 0.422 160 D N 1.799 122.257 120.400 0.098 0.000 2.227 160 D HA 0.152 4.792 4.640 -0.001 0.000 0.176 160 D C 0.780 177.094 176.300 0.024 0.000 1.228 160 D CA 0.292 54.330 54.000 0.062 0.000 1.043 160 D CB 0.101 40.932 40.800 0.053 0.000 1.758 160 D HN 0.511 nan 8.370 nan 0.000 0.544 161 G N 1.990 110.810 108.800 0.033 0.000 3.094 161 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.208 161 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.208 161 G C 1.127 176.031 174.900 0.006 0.000 1.189 161 G CA 0.163 45.274 45.100 0.018 0.000 0.856 161 G HN 0.378 nan 8.290 nan 0.000 0.510 162 R N -1.140 119.359 120.500 -0.002 0.000 2.344 162 R HA 0.271 4.610 4.340 -0.001 0.000 0.209 162 R C 2.146 178.421 176.300 -0.041 0.000 0.886 162 R CA -0.366 55.727 56.100 -0.012 0.000 1.040 162 R CB 0.241 30.536 30.300 -0.008 0.000 1.114 162 R HN 0.111 nan 8.270 nan 0.000 0.547 163 R N 0.235 120.683 120.500 -0.087 0.000 2.265 163 R HA 0.075 4.415 4.340 -0.001 0.000 0.194 163 R C -0.255 175.798 176.300 -0.411 0.000 0.931 163 R CA 0.630 56.590 56.100 -0.233 0.000 1.032 163 R CB 0.616 30.748 30.300 -0.279 0.000 0.980 163 R HN 0.171 nan 8.270 nan 0.000 0.497 164 H N 0.242 119.324 119.070 0.020 0.000 2.607 164 H HA 0.334 4.890 4.556 -0.001 0.000 0.248 164 H C -2.555 172.783 175.328 0.017 0.000 1.355 164 H CA -2.459 53.597 56.048 0.013 0.000 1.524 164 H CB 1.590 31.352 29.762 -0.000 0.000 1.563 164 H HN 0.103 nan 8.280 nan 0.000 0.509 165 P HA 0.273 nan 4.420 nan 0.000 0.279 165 P C 0.078 177.483 177.300 0.175 0.000 1.252 165 P CA -0.544 62.629 63.100 0.122 0.000 0.811 165 P CB 1.357 33.120 31.700 0.106 0.000 1.035 166 M N 0.657 120.389 119.600 0.221 0.000 2.364 166 M HA 0.477 4.957 4.480 -0.001 0.000 0.334 166 M C 0.410 176.993 176.300 0.471 0.000 1.107 166 M CA -0.808 54.689 55.300 0.328 0.000 0.988 166 M CB 2.139 34.956 32.600 0.362 0.000 1.673 166 M HN 0.222 nan 8.290 nan 0.000 0.441 167 R N 2.226 122.913 120.500 0.311 0.000 2.594 167 R HA 0.378 4.717 4.340 -0.001 0.000 0.272 167 R C -1.158 175.176 176.300 0.057 0.000 1.074 167 R CA -0.336 55.875 56.100 0.186 0.000 1.105 167 R CB 0.754 31.115 30.300 0.100 0.000 1.008 167 R HN 0.692 nan 8.270 nan 0.000 0.472 168 L N 5.643 126.678 121.223 -0.314 0.000 2.276 168 L HA 0.349 4.689 4.340 -0.001 0.000 0.286 168 L C -0.539 176.073 176.870 -0.430 0.000 1.024 168 L CA -0.413 53.923 54.840 -0.839 0.000 0.826 168 L CB 1.089 42.132 42.059 -1.694 0.000 1.211 168 L HN 0.721 nan 8.230 nan 0.000 0.422 169 R N 3.504 123.836 120.500 -0.280 0.000 2.296 169 R HA 0.021 4.361 4.340 -0.001 0.000 0.323 169 R C 0.707 176.911 176.300 -0.161 0.000 1.067 169 R CA -0.112 55.898 56.100 -0.150 0.000 0.946 169 R CB 1.119 31.383 30.300 -0.059 0.000 0.991 169 R HN 0.676 nan 8.270 nan 0.000 0.448 170 K N 2.910 123.234 120.400 -0.128 0.000 1.973 170 K HA -0.155 4.165 4.320 -0.001 0.000 0.212 170 K C 0.911 177.482 176.600 -0.048 0.000 1.047 170 K CA 1.957 58.179 56.287 -0.108 0.000 0.937 170 K CB 0.176 32.629 32.500 -0.077 0.000 0.721 170 K HN 0.573 nan 8.250 nan 0.000 0.440 171 E N -0.568 119.620 120.200 -0.021 0.000 2.516 171 E HA -0.018 4.331 4.350 -0.001 0.000 0.199 171 E C 1.449 178.072 176.600 0.039 0.000 1.069 171 E CA 0.465 56.871 56.400 0.010 0.000 0.876 171 E CB 0.207 29.911 29.700 0.007 0.000 0.843 171 E HN 0.116 nan 8.360 nan 0.000 0.530 172 S N -1.173 114.550 115.700 0.039 0.000 2.497 172 S HA 0.204 4.674 4.470 -0.001 0.000 0.218 172 S C 1.620 176.335 174.600 0.191 0.000 1.023 172 S CA 0.635 58.884 58.200 0.083 0.000 0.913 172 S CB -0.010 63.222 63.200 0.053 0.000 0.800 172 S HN 0.398 nan 8.310 nan 0.000 0.505 173 G N 1.203 110.077 108.800 0.124 0.000 2.168 173 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.263 173 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.263 173 G C 0.074 175.076 174.900 0.169 0.000 0.977 173 G CA 0.613 45.797 45.100 0.140 0.000 0.659 173 G HN 0.555 nan 8.290 nan 0.000 0.533 174 I N -0.042 120.614 120.570 0.143 0.000 2.339 174 I HA 0.411 4.580 4.170 -0.001 0.000 0.290 174 I C 0.201 176.363 176.117 0.074 0.000 0.994 174 I CA -1.056 60.371 61.300 0.212 0.000 1.191 174 I CB 0.721 38.857 38.000 0.226 0.000 1.343 174 I HN 0.072 nan 8.210 nan 0.000 0.458 175 W N 6.253 127.614 121.300 0.102 0.000 2.238 175 W HA 0.343 5.002 4.660 -0.001 0.000 0.321 175 W C 0.366 176.954 176.519 0.115 0.000 1.293 175 W CA -0.168 57.227 57.345 0.082 0.000 1.204 175 W CB 0.512 29.999 29.460 0.044 0.000 1.167 175 W HN 0.417 nan 8.180 nan 0.000 0.553 176 E N 1.798 122.193 120.200 0.325 0.000 2.408 176 E HA 0.822 5.172 4.350 -0.001 0.000 0.275 176 E C -2.013 174.750 176.600 0.272 0.000 0.935 176 E CA -1.395 55.174 56.400 0.282 0.000 0.775 176 E CB 2.439 32.258 29.700 0.199 0.000 1.277 176 E HN 0.338 nan 8.360 nan 0.000 0.455 177 L N 1.350 122.745 121.223 0.287 0.000 2.666 177 L HA 0.455 4.795 4.340 -0.001 0.000 0.259 177 L C -2.065 174.977 176.870 0.288 0.000 0.919 177 L CA -0.492 54.496 54.840 0.247 0.000 0.927 177 L CB 2.020 44.187 42.059 0.180 0.000 1.423 177 L HN 0.721 nan 8.230 nan 0.000 0.426 178 F N 6.093 126.097 119.950 0.092 0.000 2.410 178 F HA 0.757 5.284 4.527 -0.001 0.000 0.349 178 F C -0.737 175.049 175.800 -0.025 0.000 1.117 178 F CA -0.407 57.621 58.000 0.047 0.000 1.104 178 F CB 0.770 39.782 39.000 0.020 0.000 1.122 178 F HN 0.331 nan 8.300 nan 0.000 0.483 179 I N 8.624 128.654 120.570 -0.900 0.000 2.382 179 I HA 0.319 4.488 4.170 -0.001 0.000 0.285 179 I C -2.314 173.156 176.117 -1.079 0.000 1.007 179 I CA -2.256 58.498 61.300 -0.910 0.000 1.142 179 I CB 1.630 39.092 38.000 -0.897 0.000 1.289 179 I HN 0.418 nan 8.210 nan 0.000 0.453 180 P HA 0.182 nan 4.420 nan 0.000 0.276 180 P C 0.743 177.892 177.300 -0.252 0.000 1.235 180 P CA 0.575 63.427 63.100 -0.414 0.000 0.772 180 P CB 1.506 33.143 31.700 -0.105 0.000 0.871 181 G N 2.535 111.243 108.800 -0.154 0.000 2.397 181 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.211 181 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.211 181 G C 0.350 175.239 174.900 -0.019 0.000 1.077 181 G CA 0.003 45.076 45.100 -0.045 0.000 0.649 181 G HN 0.826 nan 8.290 nan 0.000 0.511 182 A N 2.725 125.383 122.820 -0.270 0.000 2.524 182 A HA 0.561 4.880 4.320 -0.001 0.000 0.250 182 A C 0.525 178.028 177.584 -0.135 0.000 1.078 182 A CA 1.152 52.983 52.037 -0.343 0.000 0.761 182 A CB -0.402 18.141 19.000 -0.761 0.000 1.012 182 A HN 1.634 nan 8.150 nan 0.000 0.500 183 H N 1.082 120.106 119.070 -0.076 0.000 2.977 183 H HA 0.386 4.942 4.556 -0.001 0.000 0.350 183 H C -0.907 174.424 175.328 0.005 0.000 1.238 183 H CA -1.312 54.712 56.048 -0.039 0.000 1.124 183 H CB 0.398 30.153 29.762 -0.012 0.000 1.866 183 H HN 0.506 nan 8.280 nan 0.000 0.550 184 N N -0.076 118.712 118.700 0.147 0.000 2.217 184 N HA 0.140 4.880 4.740 -0.001 0.000 0.268 184 N C 1.356 176.950 175.510 0.141 0.000 1.290 184 N CA 2.244 55.367 53.050 0.121 0.000 0.831 184 N CB 0.306 38.874 38.487 0.135 0.000 1.057 184 N HN 0.936 nan 8.380 nan 0.000 0.481 185 G N 1.102 109.952 108.800 0.084 0.000 2.336 185 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.194 185 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.194 185 G C -0.283 174.649 174.900 0.054 0.000 0.999 185 G CA -0.082 45.075 45.100 0.095 0.000 0.669 185 G HN 0.688 nan 8.290 nan 0.000 0.482 186 Q N 1.445 121.233 119.800 -0.021 0.000 2.245 186 Q HA 0.739 5.078 4.340 -0.001 0.000 0.256 186 Q C 0.477 176.551 176.000 0.124 0.000 0.942 186 Q CA -1.008 54.798 55.803 0.004 0.000 0.896 186 Q CB 1.912 30.589 28.738 -0.102 0.000 1.272 186 Q HN 0.620 nan 8.270 nan 0.000 0.442 187 L N 0.519 121.815 121.223 0.122 0.000 2.468 187 L HA 0.688 5.028 4.340 -0.001 0.000 0.254 187 L C -0.354 176.599 176.870 0.137 0.000 1.171 187 L CA -0.972 53.988 54.840 0.199 0.000 0.809 187 L CB -0.105 42.089 42.059 0.225 0.000 1.155 187 L HN 0.854 nan 8.230 nan 0.000 0.473 188 Y N -2.313 117.973 120.300 -0.024 0.000 2.741 188 Y HA 0.757 5.307 4.550 -0.001 0.000 0.339 188 Y C -1.332 174.546 175.900 -0.037 0.000 1.226 188 Y CA -1.479 56.479 58.100 -0.237 0.000 1.072 188 Y CB 1.206 39.575 38.460 -0.152 0.000 1.331 188 Y HN 0.610 nan 8.280 nan 0.000 0.453 189 K N 0.198 120.503 120.400 -0.157 0.000 2.428 189 K HA 0.534 4.854 4.320 -0.001 0.000 0.279 189 K C -2.144 174.299 176.600 -0.262 0.000 1.041 189 K CA -1.150 55.025 56.287 -0.185 0.000 0.887 189 K CB 2.563 35.124 32.500 0.102 0.000 1.535 189 K HN 0.714 nan 8.250 nan 0.000 0.417 190 Y N 0.934 121.292 120.300 0.097 0.000 2.364 190 Y HA 0.265 4.815 4.550 -0.001 0.000 0.340 190 Y C -0.223 175.663 175.900 -0.022 0.000 0.975 190 Y CA -0.629 57.495 58.100 0.039 0.000 1.089 190 Y CB 1.890 40.373 38.460 0.038 0.000 1.192 190 Y HN 0.268 nan 8.280 nan 0.000 0.454 191 E N 5.476 125.737 120.200 0.101 0.000 2.081 191 E HA 0.320 4.670 4.350 -0.001 0.000 0.276 191 E C -0.787 175.765 176.600 -0.080 0.000 0.950 191 E CA -0.528 55.878 56.400 0.009 0.000 0.776 191 E CB 0.937 30.643 29.700 0.010 0.000 1.094 191 E HN 0.636 nan 8.360 nan 0.000 0.402 192 M N 1.336 120.851 119.600 -0.142 0.000 2.664 192 M HA 0.538 5.018 4.480 -0.001 0.000 0.314 192 M C -0.880 175.306 176.300 -0.191 0.000 1.200 192 M CA -0.964 54.189 55.300 -0.245 0.000 0.916 192 M CB 1.571 33.959 32.600 -0.352 0.000 1.717 192 M HN 0.099 nan 8.290 nan 0.000 0.470 193 I N 2.706 123.158 120.570 -0.197 0.000 2.297 193 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 193 I C -0.430 175.607 176.117 -0.133 0.000 1.033 193 I CA -0.240 60.980 61.300 -0.133 0.000 1.253 193 I CB 0.224 38.169 38.000 -0.092 0.000 1.396 193 I HN 0.735 nan 8.210 nan 0.000 0.476 194 D N 4.520 124.844 120.400 -0.127 0.000 2.419 194 D HA 0.053 4.692 4.640 -0.001 0.000 0.236 194 D C 1.249 177.499 176.300 -0.084 0.000 1.165 194 D CA 0.072 53.998 54.000 -0.123 0.000 0.882 194 D CB 0.876 41.602 40.800 -0.122 0.000 1.201 194 D HN 0.626 nan 8.370 nan 0.000 0.443 195 A N 2.294 125.069 122.820 -0.074 0.000 2.272 195 A HA -0.186 4.134 4.320 -0.001 0.000 0.213 195 A C 1.345 178.903 177.584 -0.042 0.000 1.183 195 A CA 1.068 53.078 52.037 -0.045 0.000 0.719 195 A CB -0.311 18.663 19.000 -0.043 0.000 0.771 195 A HN 0.464 nan 8.150 nan 0.000 0.484 196 N N -1.443 117.225 118.700 -0.054 0.000 2.220 196 N HA 0.165 4.904 4.740 -0.001 0.000 0.195 196 N C 1.027 176.511 175.510 -0.044 0.000 1.123 196 N CA 0.909 53.930 53.050 -0.048 0.000 0.874 196 N CB 0.757 39.209 38.487 -0.058 0.000 0.995 196 N HN 0.604 nan 8.380 nan 0.000 0.498 197 G N 1.241 110.012 108.800 -0.047 0.000 2.138 197 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.193 197 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.193 197 G C -0.434 174.436 174.900 -0.050 0.000 0.998 197 G CA -0.533 44.542 45.100 -0.041 0.000 0.668 197 G HN 0.325 nan 8.290 nan 0.000 0.516 198 N N 1.130 119.791 118.700 -0.064 0.000 2.430 198 N HA 0.597 5.336 4.740 -0.001 0.000 0.292 198 N C 0.385 175.846 175.510 -0.080 0.000 1.051 198 N CA -0.916 52.092 53.050 -0.070 0.000 0.917 198 N CB 1.471 39.909 38.487 -0.081 0.000 1.164 198 N HN 0.314 nan 8.380 nan 0.000 0.484 199 L N 0.153 121.335 121.223 -0.069 0.000 2.375 199 L HA 0.647 4.986 4.340 -0.001 0.000 0.271 199 L C -0.095 176.732 176.870 -0.073 0.000 1.107 199 L CA -0.095 54.702 54.840 -0.071 0.000 0.806 199 L CB 0.521 42.548 42.059 -0.052 0.000 1.146 199 L HN 0.593 nan 8.230 nan 0.000 0.447 200 R N 2.796 123.249 120.500 -0.079 0.000 2.629 200 R HA 0.534 4.874 4.340 -0.001 0.000 0.266 200 R C -1.284 174.988 176.300 -0.047 0.000 1.051 200 R CA -0.709 55.350 56.100 -0.068 0.000 0.895 200 R CB 1.875 32.115 30.300 -0.100 0.000 1.246 200 R HN 0.788 nan 8.270 nan 0.000 0.459 201 L N 3.254 124.470 121.223 -0.012 0.000 2.261 201 L HA 0.401 4.741 4.340 -0.001 0.000 0.289 201 L C 0.175 177.068 176.870 0.039 0.000 1.059 201 L CA -0.553 54.300 54.840 0.022 0.000 0.816 201 L CB 0.617 42.691 42.059 0.025 0.000 1.191 201 L HN 0.053 nan 8.230 nan 0.000 0.431 202 K N 2.408 122.846 120.400 0.064 0.000 2.265 202 K HA 0.329 4.649 4.320 -0.001 0.000 0.267 202 K C -0.247 176.504 176.600 0.252 0.000 0.994 202 K CA -0.315 56.044 56.287 0.119 0.000 0.860 202 K CB 2.087 34.547 32.500 -0.066 0.000 1.099 202 K HN 0.432 nan 8.250 nan 0.000 0.448 203 S N 1.593 117.423 115.700 0.216 0.000 2.585 203 S HA -0.009 4.460 4.470 -0.001 0.000 0.273 203 S C -0.254 174.520 174.600 0.290 0.000 1.339 203 S CA -0.346 57.950 58.200 0.160 0.000 1.028 203 S CB 0.492 63.740 63.200 0.080 0.000 0.906 203 S HN 0.461 nan 8.310 nan 0.000 0.528 204 D N 3.133 123.657 120.400 0.208 0.000 2.339 204 D HA 0.266 4.906 4.640 -0.001 0.000 0.256 204 D C -1.600 174.784 176.300 0.141 0.000 1.214 204 D CA -1.952 52.252 54.000 0.338 0.000 0.877 204 D CB 1.353 42.365 40.800 0.354 0.000 1.111 204 D HN 0.216 nan 8.370 nan 0.000 0.478 205 P HA -0.119 nan 4.420 nan 0.000 0.219 205 P C 0.112 177.346 177.300 -0.110 0.000 1.146 205 P CA 1.095 64.120 63.100 -0.125 0.000 0.808 205 P CB -0.007 31.451 31.700 -0.404 0.000 0.779 206 Y N -1.045 119.199 120.300 -0.095 0.000 2.746 206 Y HA 0.441 4.991 4.550 -0.001 0.000 0.312 206 Y C 0.812 176.230 175.900 -0.803 0.000 1.117 206 Y CA -0.877 56.931 58.100 -0.488 0.000 1.324 206 Y CB -0.496 37.694 38.460 -0.451 0.000 1.173 206 Y HN -0.171 nan 8.280 nan 0.000 0.529 207 A N -0.081 122.569 122.820 -0.284 0.000 2.484 207 A HA 0.181 4.501 4.320 -0.001 0.000 0.268 207 A C 0.211 177.692 177.584 -0.172 0.000 1.114 207 A CA 0.000 51.910 52.037 -0.212 0.000 0.780 207 A CB -0.261 18.716 19.000 -0.039 0.000 1.061 207 A HN 0.504 nan 8.150 nan 0.000 0.505 208 F N 0.822 120.878 119.950 0.177 0.000 2.743 208 F HA 0.232 4.759 4.527 -0.001 0.000 0.297 208 F C 1.157 177.103 175.800 0.243 0.000 1.131 208 F CA 0.717 58.848 58.000 0.217 0.000 1.426 208 F CB 0.083 39.213 39.000 0.216 0.000 1.116 208 F HN 0.687 nan 8.300 nan 0.000 0.583 209 E N -1.165 119.224 120.200 0.316 0.000 2.445 209 E HA 0.704 5.053 4.350 -0.001 0.000 0.279 209 E C -1.334 175.362 176.600 0.160 0.000 1.018 209 E CA -0.753 55.796 56.400 0.248 0.000 0.816 209 E CB 2.202 32.055 29.700 0.255 0.000 1.356 209 E HN -0.062 nan 8.360 nan 0.000 0.462 210 A N 1.145 124.041 122.820 0.126 0.000 2.525 210 A HA 0.533 4.852 4.320 -0.001 0.000 0.291 210 A C -0.660 176.963 177.584 0.064 0.000 1.268 210 A CA -0.531 51.550 52.037 0.074 0.000 0.712 210 A CB 1.587 20.619 19.000 0.052 0.000 1.320 210 A HN 0.576 nan 8.150 nan 0.000 0.456 211 Q N -1.343 118.479 119.800 0.037 0.000 2.782 211 Q HA 0.512 4.851 4.340 -0.001 0.000 0.186 211 Q C 0.645 176.649 176.000 0.007 0.000 1.106 211 Q CA 0.200 56.020 55.803 0.029 0.000 0.757 211 Q CB 0.360 29.110 28.738 0.020 0.000 3.979 211 Q HN 0.841 nan 8.270 nan 0.000 0.389 212 M N -3.021 116.576 119.600 -0.006 0.000 1.893 212 M HA 0.249 4.729 4.480 -0.001 0.000 0.389 212 M C 1.040 177.326 176.300 -0.025 0.000 0.807 212 M CA 0.117 55.406 55.300 -0.020 0.000 1.178 212 M CB 0.334 32.927 32.600 -0.012 0.000 2.351 212 M HN 0.228 nan 8.290 nan 0.000 0.819 213 R N 1.987 122.471 120.500 -0.026 0.000 2.154 213 R HA -0.067 4.273 4.340 -0.001 0.000 0.248 213 R C -0.626 175.649 176.300 -0.042 0.000 1.155 213 R CA 2.055 58.134 56.100 -0.036 0.000 0.979 213 R CB -1.881 28.393 30.300 -0.043 0.000 0.869 213 R HN 0.481 nan 8.270 nan 0.000 0.452 214 P HA -0.086 nan 4.420 nan 0.000 0.213 214 P C -0.451 176.835 177.300 -0.023 0.000 1.170 214 P CA 0.551 63.638 63.100 -0.022 0.000 0.893 214 P CB 0.111 31.811 31.700 -0.001 0.000 0.784 215 E N -1.359 118.824 120.200 -0.028 0.000 7.725 215 E HA -0.124 4.226 4.350 -0.001 0.000 0.465 215 E C -0.460 176.124 176.600 -0.026 0.000 0.555 215 E CA 1.346 57.721 56.400 -0.041 0.000 0.980 215 E CB -1.107 28.553 29.700 -0.067 0.000 0.969 215 E HN 0.248 nan 8.360 nan 0.000 0.357 216 T N 0.184 114.722 114.554 -0.027 0.000 3.273 216 T HA 0.522 4.872 4.350 -0.001 0.000 0.242 216 T C 0.134 174.822 174.700 -0.021 0.000 1.228 216 T CA 0.045 62.140 62.100 -0.009 0.000 1.173 216 T CB 0.331 69.207 68.868 0.013 0.000 1.134 216 T HN 0.560 nan 8.240 nan 0.000 0.635 217 A N 1.301 124.107 122.820 -0.023 0.000 2.305 217 A HA 0.753 5.073 4.320 -0.001 0.000 0.322 217 A C 0.329 177.877 177.584 -0.059 0.000 1.187 217 A CA -0.688 51.336 52.037 -0.020 0.000 0.825 217 A CB 0.838 19.867 19.000 0.048 0.000 1.164 217 A HN 0.438 nan 8.150 nan 0.000 0.498 218 S N 0.718 116.288 115.700 -0.217 0.000 2.616 218 S HA 0.643 5.113 4.470 -0.001 0.000 0.277 218 S C -0.511 174.070 174.600 -0.031 0.000 1.234 218 S CA -0.324 57.731 58.200 -0.241 0.000 1.028 218 S CB 0.903 63.729 63.200 -0.624 0.000 0.988 218 S HN 0.521 nan 8.310 nan 0.000 0.522 219 L N 1.808 123.128 121.223 0.162 0.000 2.334 219 L HA 0.529 4.868 4.340 -0.001 0.000 0.276 219 L C -0.494 176.596 176.870 0.365 0.000 1.014 219 L CA -0.276 54.728 54.840 0.273 0.000 0.815 219 L CB 1.230 43.407 42.059 0.197 0.000 1.268 219 L HN 0.584 nan 8.230 nan 0.000 0.428 220 I N 2.918 123.672 120.570 0.306 0.000 2.379 220 I HA 0.093 4.263 4.170 -0.001 0.000 0.290 220 I C 0.483 176.686 176.117 0.144 0.000 1.063 220 I CA 0.017 61.411 61.300 0.157 0.000 1.351 220 I CB 0.269 38.265 38.000 -0.007 0.000 1.410 220 I HN 0.869 nan 8.210 nan 0.000 0.505 221 C N 2.384 121.787 119.300 0.171 0.000 4.403 221 C HA 0.573 5.032 4.460 -0.001 0.000 0.408 221 C C 1.013 176.077 174.990 0.123 0.000 1.714 221 C CA -0.101 59.012 59.018 0.159 0.000 2.002 221 C CB -0.600 27.262 27.740 0.205 0.000 3.129 221 C HN 1.031 nan 8.230 nan 0.000 0.662 222 G N 2.080 110.958 108.800 0.131 0.000 2.645 222 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.246 222 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.246 222 G C -0.699 174.112 174.900 -0.148 0.000 1.322 222 G CA 0.050 45.149 45.100 -0.002 0.000 0.898 222 G HN 0.764 nan 8.290 nan 0.000 0.573 223 L N 2.239 123.370 121.223 -0.153 0.000 2.334 223 L HA 0.424 4.764 4.340 -0.001 0.000 0.277 223 L C -1.278 175.519 176.870 -0.122 0.000 1.075 223 L CA -1.695 53.027 54.840 -0.196 0.000 0.804 223 L CB 1.280 43.296 42.059 -0.072 0.000 1.174 223 L HN 0.511 nan 8.230 nan 0.000 0.438 224 P HA 0.051 nan 4.420 nan 0.000 0.272 224 P C 0.256 177.434 177.300 -0.203 0.000 1.223 224 P CA -0.297 62.656 63.100 -0.244 0.000 0.784 224 P CB 1.134 32.511 31.700 -0.538 0.000 0.923 225 E N 2.701 122.809 120.200 -0.153 0.000 2.059 225 E HA -0.219 4.131 4.350 -0.001 0.000 0.237 225 E C -0.036 176.497 176.600 -0.113 0.000 1.023 225 E CA 1.956 58.291 56.400 -0.109 0.000 0.918 225 E CB -0.082 29.563 29.700 -0.092 0.000 0.824 225 E HN 0.561 nan 8.360 nan 0.000 0.534 226 K N -2.057 118.263 120.400 -0.134 0.000 3.002 226 K HA 0.125 4.445 4.320 -0.001 0.000 0.357 226 K C -2.134 174.408 176.600 -0.096 0.000 1.293 226 K CA 0.042 56.265 56.287 -0.106 0.000 1.032 226 K CB 0.197 32.661 32.500 -0.060 0.000 1.294 226 K HN 0.087 nan 8.250 nan 0.000 0.432 227 V N 3.509 123.366 119.914 -0.094 0.000 2.495 227 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 227 V C -0.011 176.041 176.094 -0.070 0.000 1.031 227 V CA -0.971 61.280 62.300 -0.082 0.000 0.871 227 V CB 1.723 33.499 31.823 -0.079 0.000 0.988 227 V HN 0.462 nan 8.190 nan 0.000 0.432 228 V N 4.159 124.029 119.914 -0.073 0.000 2.465 228 V HA 0.277 4.397 4.120 -0.001 0.000 0.279 228 V C 0.276 176.310 176.094 -0.101 0.000 1.045 228 V CA -0.239 62.017 62.300 -0.074 0.000 0.938 228 V CB 1.493 33.276 31.823 -0.066 0.000 0.986 228 V HN 0.972 nan 8.190 nan 0.000 0.467 229 Q N 2.735 122.472 119.800 -0.105 0.000 2.288 229 Q HA 0.316 4.656 4.340 -0.001 0.000 0.254 229 Q C 0.305 176.226 176.000 -0.130 0.000 0.932 229 Q CA -0.454 55.264 55.803 -0.142 0.000 0.902 229 Q CB 1.172 29.830 28.738 -0.133 0.000 1.203 229 Q HN 0.950 nan 8.270 nan 0.000 0.415 230 T N 0.090 114.548 114.554 -0.159 0.000 2.816 230 T HA 0.095 4.444 4.350 -0.001 0.000 0.282 230 T C 0.888 175.524 174.700 -0.108 0.000 0.993 230 T CA -0.589 61.434 62.100 -0.127 0.000 0.994 230 T CB 1.032 69.817 68.868 -0.139 0.000 1.025 230 T HN 0.711 nan 8.240 nan 0.000 0.529 231 E N 0.393 120.543 120.200 -0.083 0.000 2.085 231 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 231 E C 1.956 178.512 176.600 -0.073 0.000 0.994 231 E CA 1.495 57.854 56.400 -0.068 0.000 0.801 231 E CB -0.298 29.370 29.700 -0.053 0.000 0.743 231 E HN 0.817 nan 8.360 nan 0.000 0.453 232 E N -0.516 119.635 120.200 -0.082 0.000 2.268 232 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 232 E C 1.899 178.440 176.600 -0.098 0.000 0.995 232 E CA 0.795 57.147 56.400 -0.080 0.000 0.836 232 E CB 0.065 29.717 29.700 -0.080 0.000 0.763 232 E HN 0.135 nan 8.360 nan 0.000 0.491 233 R N -0.067 120.354 120.500 -0.131 0.000 2.175 233 R HA 0.151 4.490 4.340 -0.001 0.000 0.202 233 R C 1.840 178.066 176.300 -0.123 0.000 1.018 233 R CA 0.362 56.366 56.100 -0.160 0.000 1.029 233 R CB 0.155 30.305 30.300 -0.250 0.000 0.959 233 R HN 0.028 nan 8.270 nan 0.000 0.480 234 K N 0.840 121.175 120.400 -0.108 0.000 2.057 234 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 234 K C 1.935 178.498 176.600 -0.063 0.000 1.050 234 K CA 1.028 57.261 56.287 -0.090 0.000 0.935 234 K CB 0.039 32.490 32.500 -0.082 0.000 0.715 234 K HN 0.022 nan 8.250 nan 0.000 0.439 235 K N 0.460 120.831 120.400 -0.049 0.000 2.148 235 K HA -0.047 4.272 4.320 -0.001 0.000 0.204 235 K C 2.012 178.612 176.600 -0.001 0.000 1.050 235 K CA 0.961 57.233 56.287 -0.024 0.000 0.942 235 K CB -0.006 32.480 32.500 -0.023 0.000 0.724 235 K HN 0.096 nan 8.250 nan 0.000 0.446 236 A N 1.126 123.943 122.820 -0.005 0.000 2.168 236 A HA -0.101 4.218 4.320 -0.001 0.000 0.215 236 A C 1.308 178.989 177.584 0.160 0.000 1.152 236 A CA 1.138 53.205 52.037 0.049 0.000 0.716 236 A CB -0.415 18.578 19.000 -0.012 0.000 0.794 236 A HN 0.382 nan 8.150 nan 0.000 0.465 237 N N -0.758 118.000 118.700 0.098 0.000 2.336 237 N HA 0.045 4.784 4.740 -0.001 0.000 0.189 237 N C 0.250 175.821 175.510 0.101 0.000 1.113 237 N CA -0.179 52.943 53.050 0.120 0.000 0.858 237 N CB 0.186 38.685 38.487 0.019 0.000 0.970 237 N HN 0.589 nan 8.380 nan 0.000 0.471 238 Q N -0.290 119.546 119.800 0.061 0.000 2.368 238 Q HA 0.132 4.471 4.340 -0.001 0.000 0.237 238 Q C 0.350 176.477 176.000 0.211 0.000 0.987 238 Q CA -0.195 55.611 55.803 0.005 0.000 0.896 238 Q CB 0.734 29.476 28.738 0.007 0.000 1.241 238 Q HN 0.275 nan 8.270 nan 0.000 0.485 239 F N 0.691 120.842 119.950 0.336 0.000 2.216 239 F HA -0.211 4.316 4.527 -0.001 0.000 0.300 239 F C 1.814 177.792 175.800 0.297 0.000 1.085 239 F CA 0.638 58.907 58.000 0.448 0.000 1.326 239 F CB 0.035 39.288 39.000 0.421 0.000 1.027 239 F HN 0.643 nan 8.300 nan 0.000 0.497 240 D N 0.289 120.906 120.400 0.360 0.000 2.340 240 D HA 0.083 4.723 4.640 -0.001 0.000 0.220 240 D C 0.596 177.031 176.300 0.226 0.000 1.039 240 D CA 0.226 54.363 54.000 0.229 0.000 0.866 240 D CB -0.558 40.340 40.800 0.162 0.000 0.913 240 D HN 0.094 nan 8.370 nan 0.000 0.523 241 A N 1.567 124.502 122.820 0.191 0.000 2.340 241 A HA 0.496 4.816 4.320 -0.001 0.000 0.268 241 A C -2.366 175.190 177.584 -0.046 0.000 1.100 241 A CA -1.340 50.742 52.037 0.075 0.000 0.803 241 A CB 0.263 19.305 19.000 0.071 0.000 1.043 241 A HN 0.036 nan 8.150 nan 0.000 0.488 242 P HA 0.327 nan 4.420 nan 0.000 0.282 242 P C -0.980 176.273 177.300 -0.078 0.000 1.274 242 P CA 0.490 63.242 63.100 -0.579 0.000 0.770 242 P CB 0.405 31.408 31.700 -1.162 0.000 0.867 243 I N 2.297 122.943 120.570 0.126 0.000 2.411 243 I HA 0.216 4.385 4.170 -0.001 0.000 0.284 243 I C 0.137 176.315 176.117 0.101 0.000 1.012 243 I CA -0.404 60.924 61.300 0.047 0.000 1.119 243 I CB 1.728 39.617 38.000 -0.185 0.000 1.261 243 I HN 0.232 nan 8.210 nan 0.000 0.448 244 S N 7.640 123.463 115.700 0.205 0.000 2.640 244 S HA 0.634 5.104 4.470 -0.001 0.000 0.320 244 S C -0.620 174.194 174.600 0.356 0.000 1.097 244 S CA -0.445 57.903 58.200 0.248 0.000 1.092 244 S CB 0.472 63.914 63.200 0.403 0.000 0.988 244 S HN 0.421 nan 8.310 nan 0.000 0.470 245 I N 4.943 125.623 120.570 0.184 0.000 2.331 245 I HA 0.312 4.481 4.170 -0.001 0.000 0.292 245 I C -0.564 175.580 176.117 0.044 0.000 0.998 245 I CA -0.719 60.663 61.300 0.137 0.000 1.267 245 I CB 1.067 39.073 38.000 0.010 0.000 1.386 245 I HN 0.645 nan 8.210 nan 0.000 0.476 246 Y N 6.434 126.544 120.300 -0.316 0.000 2.504 246 Y HA 0.268 4.817 4.550 -0.001 0.000 0.339 246 Y C 0.372 176.136 175.900 -0.227 0.000 0.974 246 Y CA -0.549 57.195 58.100 -0.594 0.000 1.232 246 Y CB 0.612 38.478 38.460 -0.990 0.000 1.108 246 Y HN 0.572 nan 8.280 nan 0.000 0.509 247 E N 4.739 124.735 120.200 -0.339 0.000 2.313 247 E HA 0.453 4.803 4.350 -0.001 0.000 0.276 247 E C -1.530 174.835 176.600 -0.391 0.000 1.031 247 E CA -0.365 55.930 56.400 -0.174 0.000 0.857 247 E CB 1.092 30.861 29.700 0.114 0.000 1.040 247 E HN 0.492 nan 8.360 nan 0.000 0.408 248 V N 4.294 124.067 119.914 -0.234 0.000 2.808 248 V HA 0.116 4.236 4.120 -0.001 0.000 0.308 248 V C -0.628 175.411 176.094 -0.092 0.000 1.099 248 V CA -0.860 61.262 62.300 -0.297 0.000 0.920 248 V CB 1.847 33.444 31.823 -0.376 0.000 1.014 248 V HN 0.718 nan 8.190 nan 0.000 0.425 249 H N 4.770 123.757 119.070 -0.139 0.000 2.640 249 H HA 0.366 4.922 4.556 -0.001 0.000 0.297 249 H C 0.661 175.974 175.328 -0.024 0.000 1.073 249 H CA -0.437 55.588 56.048 -0.038 0.000 1.305 249 H CB 1.346 31.160 29.762 0.087 0.000 1.404 249 H HN 0.677 nan 8.280 nan 0.000 0.459 250 L N 3.485 124.387 121.223 -0.536 0.000 2.129 250 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 250 L C 2.256 178.697 176.870 -0.715 0.000 1.087 250 L CA 1.570 55.973 54.840 -0.729 0.000 0.757 250 L CB -0.261 41.131 42.059 -1.111 0.000 0.896 250 L HN 0.713 nan 8.230 nan 0.000 0.434 251 G N -1.596 106.822 108.800 -0.637 0.000 2.985 251 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.209 251 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.209 251 G C 1.028 176.248 174.900 0.533 0.000 1.165 251 G CA 0.709 45.825 45.100 0.026 0.000 0.776 251 G HN 0.493 nan 8.290 nan 0.000 0.541 252 S N -2.652 113.378 115.700 0.550 0.000 2.993 252 S HA 0.058 4.528 4.470 -0.001 0.000 0.257 252 S C 1.018 175.929 174.600 0.518 0.000 0.997 252 S CA -0.491 58.091 58.200 0.637 0.000 1.191 252 S CB -0.404 63.332 63.200 0.893 0.000 1.143 252 S HN 0.342 nan 8.310 nan 0.000 0.655 253 W N 3.099 124.536 121.300 0.228 0.000 2.381 253 W HA 0.309 4.969 4.660 -0.001 0.000 0.321 253 W C 0.881 177.648 176.519 0.413 0.000 1.196 253 W CA 1.090 58.580 57.345 0.243 0.000 1.304 253 W CB 0.059 29.591 29.460 0.120 0.000 1.166 253 W HN 0.148 nan 8.180 nan 0.000 0.473 254 R N -0.131 120.560 120.500 0.320 0.000 2.912 254 R HA 0.451 4.790 4.340 -0.001 0.000 0.262 254 R C -0.865 175.511 176.300 0.127 0.000 1.057 254 R CA -0.965 55.170 56.100 0.058 0.000 0.981 254 R CB 1.855 32.028 30.300 -0.212 0.000 1.201 254 R HN -0.291 nan 8.270 nan 0.000 0.484 255 R N 0.279 120.804 120.500 0.042 0.000 2.771 255 R HA 0.287 4.627 4.340 -0.001 0.000 0.274 255 R C -1.016 175.261 176.300 -0.038 0.000 0.987 255 R CA -0.975 55.151 56.100 0.042 0.000 0.908 255 R CB 1.272 31.631 30.300 0.098 0.000 1.213 255 R HN 0.689 nan 8.270 nan 0.000 0.468 256 H N 0.393 119.491 119.070 0.046 0.000 2.929 256 H HA 0.009 4.564 4.556 -0.001 0.000 0.317 256 H C 0.887 176.171 175.328 -0.073 0.000 1.031 256 H CA 0.559 56.592 56.048 -0.025 0.000 1.466 256 H CB 0.824 30.558 29.762 -0.048 0.000 1.482 256 H HN 0.463 nan 8.280 nan 0.000 0.561 257 T N 2.300 116.898 114.554 0.073 0.000 2.714 257 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 257 T C 1.238 175.918 174.700 -0.033 0.000 1.036 257 T CA 1.918 64.019 62.100 0.002 0.000 1.148 257 T CB -0.013 68.849 68.868 -0.010 0.000 0.856 257 T HN 0.614 nan 8.240 nan 0.000 0.462 258 D N 0.416 120.775 120.400 -0.069 0.000 2.384 258 D HA 0.068 4.707 4.640 -0.001 0.000 0.268 258 D C 1.878 178.067 176.300 -0.186 0.000 1.288 258 D CA 0.350 54.277 54.000 -0.121 0.000 1.013 258 D CB -0.370 40.340 40.800 -0.149 0.000 0.919 258 D HN 0.233 nan 8.370 nan 0.000 0.270 259 N N 0.779 119.261 118.700 -0.363 0.000 2.310 259 N HA -0.328 4.412 4.740 -0.001 0.000 0.193 259 N C 0.264 175.531 175.510 -0.405 0.000 1.001 259 N CA 1.280 53.951 53.050 -0.632 0.000 0.890 259 N CB -0.470 37.048 38.487 -1.615 0.000 0.972 259 N HN 0.433 nan 8.380 nan 0.000 0.445 260 N N -1.159 117.423 118.700 -0.196 0.000 2.850 260 N HA -0.161 4.579 4.740 -0.001 0.000 0.249 260 N C -0.714 174.886 175.510 0.150 0.000 1.060 260 N CA 0.234 53.285 53.050 0.001 0.000 0.825 260 N CB -1.575 36.920 38.487 0.014 0.000 1.132 260 N HN 0.298 nan 8.380 nan 0.000 0.564 261 F N -0.005 119.945 119.950 0.000 0.000 2.440 261 F HA 0.219 4.745 4.527 -0.001 0.000 0.323 261 F C 1.377 177.211 175.800 0.056 0.000 1.192 261 F CA -1.166 56.800 58.000 -0.056 0.000 1.252 261 F CB 0.246 39.276 39.000 0.051 0.000 1.214 261 F HN -0.093 nan 8.300 nan 0.000 0.578 262 W N 1.948 123.446 121.300 0.331 0.000 2.123 262 W HA 0.184 4.844 4.660 -0.001 0.000 0.351 262 W C -0.023 176.589 176.519 0.156 0.000 1.292 262 W CA -0.831 56.659 57.345 0.241 0.000 1.263 262 W CB -0.058 29.586 29.460 0.307 0.000 1.165 262 W HN 0.194 nan 8.180 nan 0.000 0.590 263 L N 2.614 123.995 121.223 0.263 0.000 2.417 263 L HA 0.100 4.439 4.340 -0.001 0.000 0.268 263 L C 1.122 178.106 176.870 0.191 0.000 1.158 263 L CA -0.321 54.562 54.840 0.072 0.000 0.819 263 L CB 0.364 42.412 42.059 -0.019 0.000 1.112 263 L HN 0.380 nan 8.230 nan 0.000 0.458 264 S N 0.778 116.594 115.700 0.193 0.000 2.634 264 S HA 0.139 4.609 4.470 -0.001 0.000 0.261 264 S C 0.933 175.545 174.600 0.020 0.000 1.271 264 S CA -0.471 57.805 58.200 0.128 0.000 0.985 264 S CB 0.411 63.725 63.200 0.190 0.000 0.968 264 S HN 0.427 nan 8.310 nan 0.000 0.568 265 Y N 0.891 121.278 120.300 0.145 0.000 2.165 265 Y HA -0.085 4.465 4.550 -0.001 0.000 0.286 265 Y C 2.822 178.828 175.900 0.175 0.000 1.155 265 Y CA 1.595 59.737 58.100 0.070 0.000 1.164 265 Y CB -0.504 38.088 38.460 0.219 0.000 0.978 265 Y HN 0.575 nan 8.280 nan 0.000 0.513 266 R N 0.257 120.960 120.500 0.337 0.000 2.120 266 R HA -0.172 4.168 4.340 -0.001 0.000 0.234 266 R C 1.914 178.363 176.300 0.247 0.000 1.123 266 R CA 1.651 57.908 56.100 0.263 0.000 0.975 266 R CB -0.431 29.898 30.300 0.048 0.000 0.866 266 R HN 0.535 nan 8.270 nan 0.000 0.446 267 E N 0.761 121.079 120.200 0.195 0.000 2.107 267 E HA -0.093 4.257 4.350 -0.001 0.000 0.191 267 E C 2.123 178.819 176.600 0.161 0.000 0.982 267 E CA 0.694 57.198 56.400 0.173 0.000 0.809 267 E CB -0.055 29.748 29.700 0.171 0.000 0.756 267 E HN 0.235 nan 8.360 nan 0.000 0.459 268 L N 0.728 122.015 121.223 0.107 0.000 2.046 268 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 268 L C 2.555 179.582 176.870 0.261 0.000 1.077 268 L CA 1.052 55.915 54.840 0.039 0.000 0.747 268 L CB -0.431 41.445 42.059 -0.306 0.000 0.896 268 L HN 0.150 nan 8.230 nan 0.000 0.432 269 A N -0.612 122.477 122.820 0.447 0.000 2.019 269 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 269 A C 1.846 179.587 177.584 0.261 0.000 1.164 269 A CA 1.869 54.174 52.037 0.446 0.000 0.644 269 A CB -0.379 18.937 19.000 0.527 0.000 0.805 269 A HN 0.354 nan 8.150 nan 0.000 0.449 270 D N -1.156 119.388 120.400 0.239 0.000 2.213 270 D HA -0.011 4.629 4.640 -0.001 0.000 0.205 270 D C 2.103 178.495 176.300 0.153 0.000 0.961 270 D CA 1.155 55.262 54.000 0.177 0.000 0.853 270 D CB 0.044 40.940 40.800 0.161 0.000 0.967 270 D HN 0.658 nan 8.370 nan 0.000 0.496 271 Q N -0.800 119.102 119.800 0.170 0.000 2.580 271 Q HA 0.157 4.496 4.340 -0.001 0.000 0.239 271 Q C 1.826 177.953 176.000 0.212 0.000 0.873 271 Q CA -0.138 55.789 55.803 0.207 0.000 0.951 271 Q CB 0.392 29.285 28.738 0.259 0.000 1.172 271 Q HN 0.037 nan 8.270 nan 0.000 0.616 272 L N 0.657 121.864 121.223 -0.026 0.000 2.109 272 L HA -0.049 4.291 4.340 -0.001 0.000 0.207 272 L C 1.978 178.852 176.870 0.006 0.000 1.086 272 L CA 1.206 55.814 54.840 -0.387 0.000 0.760 272 L CB -0.182 41.441 42.059 -0.726 0.000 0.910 272 L HN -0.011 nan 8.230 nan 0.000 0.437 273 V N 0.648 120.614 119.914 0.086 0.000 2.295 273 V HA -0.143 3.976 4.120 -0.001 0.000 0.246 273 V C -0.170 175.981 176.094 0.095 0.000 1.049 273 V CA 2.155 64.485 62.300 0.050 0.000 1.024 273 V CB -1.667 30.139 31.823 -0.029 0.000 0.648 273 V HN 0.380 nan 8.190 nan 0.000 0.447 274 P HA -0.151 nan 4.420 nan 0.000 0.221 274 P C 1.437 178.886 177.300 0.249 0.000 1.150 274 P CA 1.235 64.431 63.100 0.161 0.000 0.800 274 P CB -0.077 31.705 31.700 0.136 0.000 0.787 275 Y N 0.639 121.044 120.300 0.174 0.000 2.286 275 Y HA 0.044 4.594 4.550 -0.001 0.000 0.293 275 Y C 2.311 178.364 175.900 0.255 0.000 1.124 275 Y CA 1.371 59.626 58.100 0.259 0.000 1.178 275 Y CB -0.768 37.907 38.460 0.358 0.000 1.010 275 Y HN -0.126 nan 8.280 nan 0.000 0.536 276 A N 0.516 123.432 122.820 0.160 0.000 1.968 276 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 276 A C 2.277 179.948 177.584 0.145 0.000 1.169 276 A CA 1.546 53.635 52.037 0.087 0.000 0.638 276 A CB -0.636 18.436 19.000 0.121 0.000 0.812 276 A HN 0.493 nan 8.150 nan 0.000 0.446 277 K N -1.025 119.451 120.400 0.127 0.000 2.001 277 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 277 K C 2.031 178.685 176.600 0.091 0.000 1.048 277 K CA 1.452 57.802 56.287 0.105 0.000 0.932 277 K CB -0.398 32.166 32.500 0.106 0.000 0.715 277 K HN 0.724 nan 8.250 nan 0.000 0.437 278 W N 0.951 122.225 121.300 -0.043 0.000 2.321 278 W HA -0.219 4.441 4.660 -0.000 0.000 0.306 278 W C 1.229 177.668 176.519 -0.133 0.000 1.217 278 W CA 0.944 58.248 57.345 -0.068 0.000 1.257 278 W CB -0.009 29.427 29.460 -0.040 0.000 1.145 278 W HN 0.142 nan 8.180 nan 0.000 0.509 279 M N 0.748 120.252 119.600 -0.161 0.000 2.686 279 M HA 0.052 4.532 4.480 -0.001 0.000 0.246 279 M C 1.777 177.779 176.300 -0.496 0.000 1.096 279 M CA 1.438 56.535 55.300 -0.338 0.000 1.076 279 M CB -1.806 30.640 32.600 -0.257 0.000 1.504 279 M HN 0.288 nan 8.290 nan 0.000 0.524 280 G N 0.434 109.026 108.800 -0.347 0.000 2.162 280 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 280 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 280 G C 0.083 174.840 174.900 -0.238 0.000 0.976 280 G CA -0.200 44.717 45.100 -0.306 0.000 0.655 280 G HN 0.433 nan 8.290 nan 0.000 0.533 281 F N 0.441 120.381 119.950 -0.017 0.000 2.444 281 F HA 0.438 4.965 4.527 -0.001 0.000 0.331 281 F C 2.036 177.882 175.800 0.077 0.000 1.167 281 F CA 0.919 58.961 58.000 0.069 0.000 1.262 281 F CB 1.082 40.125 39.000 0.071 0.000 1.196 281 F HN 0.107 nan 8.300 nan 0.000 0.583 282 T N -3.414 111.349 114.554 0.348 0.000 2.978 282 T HA 0.194 4.543 4.350 -0.001 0.000 0.248 282 T C 0.288 175.104 174.700 0.194 0.000 1.018 282 T CA 0.153 62.396 62.100 0.239 0.000 1.026 282 T CB -0.151 68.880 68.868 0.272 0.000 1.032 282 T HN 0.503 nan 8.240 nan 0.000 0.485 283 H N -0.060 119.093 119.070 0.139 0.000 2.679 283 H HA 0.670 5.225 4.556 -0.001 0.000 0.367 283 H C -1.651 173.729 175.328 0.086 0.000 1.162 283 H CA -1.046 55.053 56.048 0.086 0.000 1.181 283 H CB 2.449 32.244 29.762 0.055 0.000 1.693 283 H HN 0.044 nan 8.280 nan 0.000 0.538 284 L N 1.996 123.306 121.223 0.145 0.000 2.356 284 L HA 0.244 4.583 4.340 -0.001 0.000 0.277 284 L C -0.260 176.664 176.870 0.089 0.000 0.996 284 L CA -0.319 54.578 54.840 0.095 0.000 0.822 284 L CB 1.605 43.689 42.059 0.042 0.000 1.256 284 L HN 0.677 nan 8.230 nan 0.000 0.413 285 E N 4.996 125.233 120.200 0.061 0.000 2.145 285 E HA 0.486 4.835 4.350 -0.001 0.000 0.270 285 E C -1.549 175.073 176.600 0.036 0.000 0.906 285 E CA -0.576 55.870 56.400 0.077 0.000 0.761 285 E CB 1.029 30.800 29.700 0.118 0.000 1.116 285 E HN 0.630 nan 8.360 nan 0.000 0.408 286 L N 5.050 126.301 121.223 0.046 0.000 2.289 286 L HA 0.329 4.669 4.340 -0.001 0.000 0.285 286 L C -0.134 176.730 176.870 -0.010 0.000 1.049 286 L CA -1.011 53.833 54.840 0.007 0.000 0.804 286 L CB 0.772 42.852 42.059 0.035 0.000 1.195 286 L HN 0.522 nan 8.230 nan 0.000 0.428 287 L N 4.864 126.070 121.223 -0.028 0.000 2.482 287 L HA 0.122 4.462 4.340 -0.001 0.000 0.273 287 L C -1.903 174.888 176.870 -0.131 0.000 1.228 287 L CA -0.766 54.041 54.840 -0.056 0.000 0.827 287 L CB -0.436 41.614 42.059 -0.015 0.000 1.099 287 L HN 0.375 nan 8.230 nan 0.000 0.494 288 P HA -0.065 nan 4.420 nan 0.000 0.261 288 P C 0.069 177.249 177.300 -0.201 0.000 1.173 288 P CA 0.337 63.266 63.100 -0.286 0.000 0.760 288 P CB 0.218 31.645 31.700 -0.453 0.000 0.783 289 I N 0.248 120.679 120.570 -0.231 0.000 4.018 289 I HA 0.132 4.302 4.170 -0.001 0.000 0.337 289 I C 0.668 176.709 176.117 -0.126 0.000 1.327 289 I CA -0.488 60.695 61.300 -0.196 0.000 1.100 289 I CB -1.313 36.421 38.000 -0.442 0.000 1.025 289 I HN 0.170 nan 8.210 nan 0.000 0.396 290 N N 1.685 120.340 118.700 -0.076 0.000 2.453 290 N HA -0.002 4.737 4.740 -0.001 0.000 0.253 290 N C -0.085 175.545 175.510 0.201 0.000 1.252 290 N CA -0.500 52.609 53.050 0.099 0.000 0.917 290 N CB 0.680 39.242 38.487 0.125 0.000 1.117 290 N HN 0.149 nan 8.380 nan 0.000 0.442 291 E N 1.263 121.572 120.200 0.183 0.000 2.415 291 E HA -0.038 4.312 4.350 -0.001 0.000 0.263 291 E C -0.771 175.949 176.600 0.199 0.000 0.995 291 E CA 0.243 56.728 56.400 0.143 0.000 0.915 291 E CB 0.200 29.954 29.700 0.090 0.000 0.951 291 E HN 0.673 nan 8.360 nan 0.000 0.449 292 H N 3.037 122.121 119.070 0.023 0.000 2.996 292 H HA 0.334 4.890 4.556 -0.001 0.000 0.368 292 H C -2.556 172.826 175.328 0.090 0.000 1.185 292 H CA -2.087 53.988 56.048 0.045 0.000 1.160 292 H CB 1.414 31.202 29.762 0.044 0.000 1.820 292 H HN 0.327 nan 8.280 nan 0.000 0.547 293 P HA 0.128 nan 4.420 nan 0.000 0.226 293 P C -0.231 177.303 177.300 0.390 0.000 1.160 293 P CA 0.342 63.583 63.100 0.235 0.000 0.837 293 P CB 0.546 32.447 31.700 0.335 0.000 0.860 294 F N 1.176 121.170 119.950 0.075 0.000 2.385 294 F HA 0.240 4.766 4.527 -0.001 0.000 0.360 294 F C 1.229 177.158 175.800 0.215 0.000 1.122 294 F CA -1.262 56.799 58.000 0.102 0.000 1.090 294 F CB 0.580 39.611 39.000 0.051 0.000 1.150 294 F HN -0.282 nan 8.300 nan 0.000 0.472 295 D N 2.295 122.912 120.400 0.361 0.000 2.158 295 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 295 D C 2.345 178.929 176.300 0.473 0.000 0.995 295 D CA 1.589 55.884 54.000 0.492 0.000 0.846 295 D CB -0.153 40.953 40.800 0.510 0.000 0.941 295 D HN 0.776 nan 8.370 nan 0.000 0.456 296 G N 0.137 109.110 108.800 0.289 0.000 2.498 296 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 296 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 296 G C 1.591 176.190 174.900 -0.503 0.000 1.119 296 G CA 1.236 46.245 45.100 -0.153 0.000 0.766 296 G HN 0.435 nan 8.290 nan 0.000 0.552 297 S N -1.347 114.261 115.700 -0.152 0.000 2.481 297 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 297 S C 1.357 175.897 174.600 -0.100 0.000 0.996 297 S CA 1.003 59.075 58.200 -0.213 0.000 0.942 297 S CB -0.487 62.683 63.200 -0.050 0.000 0.768 297 S HN 0.652 nan 8.310 nan 0.000 0.520 298 W N 0.313 121.666 121.300 0.088 0.000 2.323 298 W HA -0.227 4.432 4.660 -0.001 0.000 0.261 298 W C 1.263 177.670 176.519 -0.188 0.000 1.029 298 W CA 0.598 57.991 57.345 0.079 0.000 0.499 298 W CB -2.339 27.238 29.460 0.196 0.000 2.045 298 W HN 1.024 nan 8.180 nan 0.000 1.374 299 G N -2.377 106.190 108.800 -0.387 0.000 2.260 299 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.179 299 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.179 299 G C 0.269 174.796 174.900 -0.622 0.000 1.002 299 G CA 0.016 44.577 45.100 -0.898 0.000 0.677 299 G HN 0.330 nan 8.290 nan 0.000 0.486 300 Y N 0.932 121.126 120.300 -0.177 0.000 2.490 300 Y HA 0.410 4.959 4.550 -0.001 0.000 0.281 300 Y C 1.598 177.316 175.900 -0.304 0.000 1.174 300 Y CA 0.781 58.738 58.100 -0.239 0.000 1.295 300 Y CB 0.645 38.937 38.460 -0.279 0.000 1.062 300 Y HN 0.287 nan 8.280 nan 0.000 0.522 301 Q N 1.624 121.365 119.800 -0.100 0.000 2.798 301 Q HA 0.247 4.587 4.340 -0.001 0.000 0.250 301 Q C -2.648 173.344 176.000 -0.013 0.000 1.006 301 Q CA -2.138 53.627 55.803 -0.063 0.000 0.759 301 Q CB 1.473 30.151 28.738 -0.099 0.000 1.201 301 Q HN 0.050 nan 8.270 nan 0.000 0.486 302 P HA 0.218 nan 4.420 nan 0.000 0.280 302 P C 0.158 177.484 177.300 0.042 0.000 1.272 302 P CA -0.280 62.853 63.100 0.055 0.000 0.819 302 P CB 1.677 33.405 31.700 0.046 0.000 1.122 303 T N -4.388 110.206 114.554 0.067 0.000 2.980 303 T HA 0.358 4.708 4.350 -0.001 0.000 0.252 303 T C 0.817 175.538 174.700 0.035 0.000 0.962 303 T CA 0.090 62.205 62.100 0.026 0.000 0.932 303 T CB -0.400 68.487 68.868 0.032 0.000 1.188 303 T HN 0.551 nan 8.240 nan 0.000 0.500 304 G N 1.160 110.008 108.800 0.080 0.000 2.730 304 G HA2 0.581 4.541 3.960 -0.001 0.000 0.291 304 G HA3 0.581 4.541 3.960 -0.001 0.000 0.291 304 G C 0.249 175.240 174.900 0.151 0.000 1.456 304 G CA -0.588 44.575 45.100 0.106 0.000 0.996 304 G HN 0.259 nan 8.290 nan 0.000 0.528 305 L N 1.428 122.739 121.223 0.148 0.000 2.478 305 L HA 0.079 4.419 4.340 -0.001 0.000 0.223 305 L C 1.154 178.031 176.870 0.012 0.000 1.140 305 L CA 0.922 55.815 54.840 0.087 0.000 0.842 305 L CB -0.033 41.971 42.059 -0.090 0.000 0.953 305 L HN 0.627 nan 8.230 nan 0.000 0.452 306 Y N -0.610 119.683 120.300 -0.012 0.000 2.426 306 Y HA 0.355 4.905 4.550 -0.001 0.000 0.249 306 Y C 1.113 177.058 175.900 0.075 0.000 1.103 306 Y CA -0.424 57.554 58.100 -0.203 0.000 1.256 306 Y CB 0.569 38.793 38.460 -0.394 0.000 1.208 306 Y HN -0.043 nan 8.280 nan 0.000 0.519 307 A N 1.612 124.613 122.820 0.302 0.000 2.260 307 A HA 0.566 4.886 4.320 -0.001 0.000 0.314 307 A C -2.732 175.038 177.584 0.309 0.000 1.257 307 A CA -1.722 50.495 52.037 0.301 0.000 0.871 307 A CB 0.123 19.246 19.000 0.205 0.000 1.166 307 A HN -0.101 nan 8.150 nan 0.000 0.522 308 P HA 0.149 nan 4.420 nan 0.000 0.276 308 P C 0.440 177.800 177.300 0.099 0.000 1.230 308 P CA 0.108 63.261 63.100 0.090 0.000 0.776 308 P CB 0.690 32.330 31.700 -0.100 0.000 0.888 309 T N 2.948 117.530 114.554 0.048 0.000 2.939 309 T HA -0.064 4.286 4.350 -0.001 0.000 0.319 309 T C 1.506 176.195 174.700 -0.018 0.000 1.082 309 T CA 0.138 62.227 62.100 -0.018 0.000 1.133 309 T CB 0.065 68.853 68.868 -0.133 0.000 1.019 309 T HN 0.216 nan 8.240 nan 0.000 0.548 310 R N 2.821 123.264 120.500 -0.094 0.000 2.193 310 R HA 0.095 4.435 4.340 -0.001 0.000 0.213 310 R C 2.496 178.655 176.300 -0.235 0.000 1.055 310 R CA 0.818 56.881 56.100 -0.062 0.000 0.995 310 R CB -0.325 29.959 30.300 -0.028 0.000 0.893 310 R HN 0.720 nan 8.270 nan 0.000 0.459 311 R N -0.597 119.549 120.500 -0.589 0.000 2.153 311 R HA -0.180 4.160 4.340 -0.001 0.000 0.252 311 R C 1.161 176.921 176.300 -0.901 0.000 1.158 311 R CA 1.972 57.454 56.100 -1.031 0.000 0.975 311 R CB -0.262 28.703 30.300 -2.226 0.000 0.871 311 R HN 0.226 nan 8.270 nan 0.000 0.450 312 F N -1.194 118.527 119.950 -0.381 0.000 2.682 312 F HA 0.414 4.941 4.527 -0.001 0.000 0.308 312 F C 1.073 176.676 175.800 -0.329 0.000 1.093 312 F CA 0.055 57.723 58.000 -0.553 0.000 1.244 312 F CB 1.247 39.512 39.000 -1.224 0.000 1.052 312 F HN 0.156 nan 8.300 nan 0.000 0.573 313 G N 0.450 109.309 108.800 0.099 0.000 2.293 313 G HA2 0.152 4.112 3.960 -0.001 0.000 0.282 313 G HA3 0.152 4.112 3.960 -0.001 0.000 0.282 313 G C -0.534 174.610 174.900 0.406 0.000 1.299 313 G CA -0.617 44.667 45.100 0.306 0.000 1.018 313 G HN 0.176 nan 8.290 nan 0.000 0.478 314 T N -1.884 112.891 114.554 0.369 0.000 2.816 314 T HA 0.500 4.850 4.350 -0.001 0.000 0.282 314 T C 1.669 176.577 174.700 0.347 0.000 0.993 314 T CA 0.719 63.007 62.100 0.312 0.000 0.994 314 T CB 1.403 70.415 68.868 0.240 0.000 1.025 314 T HN 1.353 nan 8.240 nan 0.000 0.529 315 R N 0.141 120.841 120.500 0.333 0.000 2.148 315 R HA -0.013 4.327 4.340 -0.001 0.000 0.227 315 R C 1.202 177.757 176.300 0.424 0.000 1.103 315 R CA 1.468 57.823 56.100 0.426 0.000 0.983 315 R CB -0.743 29.843 30.300 0.477 0.000 0.874 315 R HN 0.573 nan 8.270 nan 0.000 0.451 316 D N 0.521 121.095 120.400 0.290 0.000 2.277 316 D HA -0.067 4.572 4.640 -0.001 0.000 0.208 316 D C 0.780 177.221 176.300 0.235 0.000 0.962 316 D CA 0.792 54.922 54.000 0.218 0.000 0.865 316 D CB -0.079 40.816 40.800 0.159 0.000 0.939 316 D HN 0.284 nan 8.370 nan 0.000 0.510 317 D N -0.256 120.303 120.400 0.266 0.000 2.137 317 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 317 D C 1.789 178.232 176.300 0.237 0.000 0.970 317 D CA 0.281 54.464 54.000 0.304 0.000 0.837 317 D CB -0.258 40.800 40.800 0.430 0.000 0.981 317 D HN 0.160 nan 8.370 nan 0.000 0.475 318 F N 2.306 122.100 119.950 -0.259 0.000 2.134 318 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 318 F C 2.315 178.144 175.800 0.049 0.000 1.097 318 F CA 1.185 58.835 58.000 -0.583 0.000 1.264 318 F CB -0.149 38.447 39.000 -0.674 0.000 1.001 318 F HN -0.218 nan 8.300 nan 0.000 0.479 319 R N -0.543 120.030 120.500 0.122 0.000 2.120 319 R HA -0.243 4.096 4.340 -0.001 0.000 0.234 319 R C 2.166 178.451 176.300 -0.025 0.000 1.123 319 R CA 1.950 58.065 56.100 0.025 0.000 0.975 319 R CB -1.537 28.788 30.300 0.042 0.000 0.866 319 R HN 0.511 nan 8.270 nan 0.000 0.446 320 Y N -0.319 119.976 120.300 -0.007 0.000 2.200 320 Y HA -0.161 4.389 4.550 -0.001 0.000 0.290 320 Y C 1.802 177.703 175.900 0.002 0.000 1.137 320 Y CA 1.948 60.057 58.100 0.014 0.000 1.163 320 Y CB -0.439 38.075 38.460 0.090 0.000 0.988 320 Y HN 0.170 nan 8.280 nan 0.000 0.518 321 F N 0.324 120.287 119.950 0.021 0.000 2.075 321 F HA -0.255 4.272 4.527 -0.001 0.000 0.297 321 F C 1.988 177.616 175.800 -0.288 0.000 1.113 321 F CA 2.095 60.062 58.000 -0.056 0.000 1.218 321 F CB -0.456 38.587 39.000 0.072 0.000 0.984 321 F HN 0.001 nan 8.300 nan 0.000 0.472 322 I N 0.427 120.621 120.570 -0.626 0.000 2.286 322 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 322 I C 1.955 177.569 176.117 -0.838 0.000 1.115 322 I CA 1.537 62.340 61.300 -0.829 0.000 1.392 322 I CB -0.638 36.955 38.000 -0.679 0.000 1.065 322 I HN 0.245 nan 8.210 nan 0.000 0.418 323 D N 0.966 121.037 120.400 -0.548 0.000 2.178 323 D HA -0.099 4.540 4.640 -0.001 0.000 0.202 323 D C 2.229 178.271 176.300 -0.430 0.000 0.974 323 D CA 1.362 55.116 54.000 -0.411 0.000 0.841 323 D CB 0.213 40.837 40.800 -0.293 0.000 0.953 323 D HN 0.358 nan 8.370 nan 0.000 0.478 324 A N 1.219 123.717 122.820 -0.536 0.000 1.968 324 A HA 0.035 4.355 4.320 -0.001 0.000 0.217 324 A C 2.311 179.682 177.584 -0.356 0.000 1.169 324 A CA 1.544 53.324 52.037 -0.429 0.000 0.638 324 A CB -0.329 18.435 19.000 -0.393 0.000 0.812 324 A HN 0.221 nan 8.150 nan 0.000 0.446 325 A N -0.540 121.966 122.820 -0.523 0.000 1.898 325 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 325 A C 1.895 179.330 177.584 -0.248 0.000 1.181 325 A CA 1.631 53.403 52.037 -0.442 0.000 0.620 325 A CB -0.938 17.678 19.000 -0.641 0.000 0.819 325 A HN 0.747 nan 8.150 nan 0.000 0.442 326 H N -0.689 118.230 119.070 -0.253 0.000 2.321 326 H HA 0.003 4.558 4.556 -0.001 0.000 0.300 326 H C 2.491 177.727 175.328 -0.153 0.000 1.087 326 H CA 0.811 56.743 56.048 -0.194 0.000 1.319 326 H CB -0.020 29.629 29.762 -0.188 0.000 1.379 326 H HN 0.547 nan 8.280 nan 0.000 0.501 327 A N 1.033 123.831 122.820 -0.036 0.000 2.024 327 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 327 A C 2.362 179.919 177.584 -0.045 0.000 1.164 327 A CA 1.347 53.353 52.037 -0.052 0.000 0.643 327 A CB -0.631 18.321 19.000 -0.081 0.000 0.806 327 A HN 0.485 nan 8.150 nan 0.000 0.451 328 A N -1.863 120.923 122.820 -0.056 0.000 2.208 328 A HA 0.420 4.739 4.320 -0.001 0.000 0.209 328 A C 1.671 179.241 177.584 -0.022 0.000 1.161 328 A CA 1.141 53.159 52.037 -0.032 0.000 0.782 328 A CB -0.775 18.204 19.000 -0.035 0.000 0.816 328 A HN 1.894 nan 8.150 nan 0.000 0.477 329 G N -1.097 107.686 108.800 -0.029 0.000 2.165 329 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.226 329 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.226 329 G C -0.252 174.623 174.900 -0.041 0.000 1.035 329 G CA 0.143 45.222 45.100 -0.034 0.000 0.744 329 G HN 0.325 nan 8.290 nan 0.000 0.501 330 L N 0.129 121.326 121.223 -0.043 0.000 2.346 330 L HA 0.443 4.782 4.340 -0.001 0.000 0.274 330 L C 0.508 177.326 176.870 -0.088 0.000 1.007 330 L CA -0.686 54.113 54.840 -0.069 0.000 0.818 330 L CB 1.557 43.581 42.059 -0.059 0.000 1.284 330 L HN 0.206 nan 8.230 nan 0.000 0.424 331 N N 0.578 119.120 118.700 -0.263 0.000 2.515 331 N HA 0.457 5.196 4.740 -0.001 0.000 0.279 331 N C -1.011 174.403 175.510 -0.161 0.000 1.164 331 N CA -0.544 52.328 53.050 -0.297 0.000 0.982 331 N CB 2.177 40.202 38.487 -0.770 0.000 1.170 331 N HN 0.189 nan 8.380 nan 0.000 0.474 332 V N 2.873 122.764 119.914 -0.039 0.000 2.448 332 V HA 0.418 4.537 4.120 -0.001 0.000 0.295 332 V C -0.074 176.052 176.094 0.053 0.000 1.025 332 V CA -0.650 61.643 62.300 -0.012 0.000 0.859 332 V CB 1.391 33.159 31.823 -0.092 0.000 0.988 332 V HN 0.505 nan 8.190 nan 0.000 0.431 333 I N 5.486 126.115 120.570 0.098 0.000 2.336 333 I HA 0.409 4.578 4.170 -0.001 0.000 0.292 333 I C -0.504 175.653 176.117 0.067 0.000 0.991 333 I CA -0.601 60.762 61.300 0.104 0.000 1.227 333 I CB 1.613 39.705 38.000 0.153 0.000 1.366 333 I HN 0.444 nan 8.210 nan 0.000 0.466 334 L N 6.110 127.348 121.223 0.024 0.000 2.282 334 L HA 0.474 4.813 4.340 -0.001 0.000 0.288 334 L C -0.486 176.401 176.870 0.029 0.000 1.033 334 L CA -0.053 54.766 54.840 -0.034 0.000 0.807 334 L CB 1.006 42.950 42.059 -0.192 0.000 1.209 334 L HN 0.402 nan 8.230 nan 0.000 0.423 335 D N 4.051 124.478 120.400 0.045 0.000 2.450 335 D HA 0.142 4.782 4.640 -0.001 0.000 0.247 335 D C -1.409 174.982 176.300 0.152 0.000 1.162 335 D CA 0.942 55.012 54.000 0.118 0.000 0.879 335 D CB 0.253 41.109 40.800 0.094 0.000 1.163 335 D HN 0.540 nan 8.370 nan 0.000 0.472 336 W N 3.866 125.176 121.300 0.017 0.000 2.702 336 W HA 0.435 5.094 4.660 -0.001 0.000 0.331 336 W C -0.674 175.920 176.519 0.125 0.000 1.049 336 W CA -1.214 56.146 57.345 0.026 0.000 1.230 336 W CB 1.229 30.721 29.460 0.054 0.000 1.408 336 W HN 0.152 nan 8.180 nan 0.000 0.492 337 V N 5.007 124.800 119.914 -0.201 0.000 2.759 337 V HA 0.365 4.484 4.120 -0.001 0.000 0.342 337 V C -1.687 174.261 176.094 -0.243 0.000 1.228 337 V CA -1.111 61.146 62.300 -0.071 0.000 1.302 337 V CB 0.366 32.282 31.823 0.155 0.000 1.496 337 V HN 0.525 nan 8.190 nan 0.000 0.628 338 P HA 0.053 nan 4.420 nan 0.000 0.234 338 P C 1.402 178.646 177.300 -0.092 0.000 1.167 338 P CA 1.447 64.241 63.100 -0.510 0.000 0.763 338 P CB 0.182 31.434 31.700 -0.746 0.000 0.835 339 G N -1.480 107.283 108.800 -0.062 0.000 2.744 339 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.211 339 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.211 339 G C -0.032 174.838 174.900 -0.049 0.000 1.146 339 G CA 0.068 45.144 45.100 -0.041 0.000 0.787 339 G HN 0.373 nan 8.290 nan 0.000 0.534 340 H N -0.633 118.579 119.070 0.236 0.000 2.673 340 H HA 0.363 4.918 4.556 -0.001 0.000 0.293 340 H C -1.026 174.424 175.328 0.204 0.000 1.065 340 H CA -0.944 55.224 56.048 0.201 0.000 1.236 340 H CB 0.997 30.846 29.762 0.145 0.000 1.389 340 H HN 0.096 nan 8.280 nan 0.000 0.481 341 F N 4.489 124.475 119.950 0.059 0.000 2.572 341 F HA 0.143 4.669 4.527 -0.001 0.000 0.370 341 F C -1.863 173.886 175.800 -0.085 0.000 1.103 341 F CA -2.029 55.829 58.000 -0.237 0.000 1.286 341 F CB 0.649 39.404 39.000 -0.408 0.000 1.105 341 F HN 0.378 nan 8.300 nan 0.000 0.583 342 P HA 0.024 nan 4.420 nan 0.000 0.262 342 P C 0.011 177.341 177.300 0.050 0.000 1.199 342 P CA 0.454 63.456 63.100 -0.164 0.000 0.763 342 P CB 0.496 32.007 31.700 -0.315 0.000 0.790 343 T N -2.031 112.533 114.554 0.018 0.000 3.040 343 T HA 0.192 4.541 4.350 -0.001 0.000 0.266 343 T C 0.162 174.793 174.700 -0.115 0.000 1.005 343 T CA -0.182 61.926 62.100 0.013 0.000 0.906 343 T CB 0.056 68.916 68.868 -0.013 0.000 1.082 343 T HN 0.135 nan 8.240 nan 0.000 0.531 344 D N 2.155 122.460 120.400 -0.158 0.000 2.252 344 D HA 0.379 5.019 4.640 -0.001 0.000 0.245 344 D C -0.245 175.929 176.300 -0.209 0.000 1.009 344 D CA -0.215 53.632 54.000 -0.254 0.000 0.870 344 D CB 1.422 42.041 40.800 -0.300 0.000 1.251 344 D HN -0.006 nan 8.370 nan 0.000 0.460 345 D N 0.202 120.417 120.400 -0.308 0.000 3.039 345 D HA -0.253 4.386 4.640 -0.001 0.000 0.222 345 D C -0.078 176.146 176.300 -0.127 0.000 1.179 345 D CA 0.403 54.266 54.000 -0.228 0.000 0.880 345 D CB -1.888 38.877 40.800 -0.058 0.000 1.115 345 D HN 0.410 nan 8.370 nan 0.000 0.416 346 F N -2.149 117.816 119.950 0.024 0.000 2.866 346 F HA -0.235 4.292 4.527 -0.001 0.000 0.254 346 F C 1.822 177.662 175.800 0.067 0.000 1.009 346 F CA 0.305 58.333 58.000 0.047 0.000 0.907 346 F CB -2.002 37.021 39.000 0.038 0.000 0.859 346 F HN 0.283 nan 8.300 nan 0.000 0.842 347 A N -0.572 122.334 122.820 0.144 0.000 1.929 347 A HA 0.179 4.498 4.320 -0.001 0.000 0.216 347 A C 1.944 179.573 177.584 0.075 0.000 1.176 347 A CA 1.945 54.035 52.037 0.088 0.000 0.628 347 A CB -0.033 18.967 19.000 -0.000 0.000 0.816 347 A HN 0.571 nan 8.150 nan 0.000 0.444 348 L N -3.193 118.052 121.223 0.037 0.000 3.316 348 L HA 0.495 4.834 4.340 -0.001 0.000 0.300 348 L C 0.908 177.922 176.870 0.239 0.000 1.128 348 L CA 0.798 55.574 54.840 -0.106 0.000 1.111 348 L CB 0.067 41.761 42.059 -0.608 0.000 1.687 348 L HN 0.204 nan 8.230 nan 0.000 0.594 349 A N 0.770 123.830 122.820 0.400 0.000 2.520 349 A HA 0.275 4.595 4.320 -0.001 0.000 0.245 349 A C 0.675 178.424 177.584 0.275 0.000 1.072 349 A CA 0.601 52.902 52.037 0.440 0.000 0.761 349 A CB -0.407 18.823 19.000 0.384 0.000 1.004 349 A HN 0.402 nan 8.150 nan 0.000 0.499 350 E N 1.063 121.380 120.200 0.196 0.000 2.210 350 E HA -0.255 4.095 4.350 -0.001 0.000 0.201 350 E C -0.040 176.641 176.600 0.134 0.000 1.339 350 E CA 0.584 57.044 56.400 0.100 0.000 0.699 350 E CB -1.323 28.365 29.700 -0.020 0.000 1.126 350 E HN 0.755 nan 8.360 nan 0.000 0.355 351 F N 1.626 121.621 119.950 0.075 0.000 2.146 351 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 351 F C 1.758 177.555 175.800 -0.005 0.000 1.096 351 F CA 1.820 59.857 58.000 0.062 0.000 1.275 351 F CB 0.328 39.421 39.000 0.155 0.000 1.008 351 F HN 0.369 nan 8.300 nan 0.000 0.480 352 D N -1.501 118.872 120.400 -0.045 0.000 2.670 352 D HA 0.274 4.914 4.640 -0.001 0.000 0.255 352 D C 1.467 177.696 176.300 -0.119 0.000 1.286 352 D CA 0.437 54.335 54.000 -0.170 0.000 0.830 352 D CB 0.009 40.743 40.800 -0.111 0.000 1.065 352 D HN 0.412 nan 8.370 nan 0.000 0.486 353 G N 0.474 109.211 108.800 -0.105 0.000 2.383 353 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.229 353 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.229 353 G C 0.632 175.494 174.900 -0.063 0.000 1.089 353 G CA 0.526 45.572 45.100 -0.090 0.000 0.640 353 G HN 0.879 nan 8.290 nan 0.000 0.510 354 T N -0.671 113.854 114.554 -0.049 0.000 2.884 354 T HA 0.588 4.938 4.350 -0.001 0.000 0.277 354 T C 0.086 174.778 174.700 -0.013 0.000 0.976 354 T CA -0.163 61.913 62.100 -0.040 0.000 0.956 354 T CB 1.274 70.113 68.868 -0.049 0.000 1.113 354 T HN 0.145 nan 8.240 nan 0.000 0.554 355 N N 1.871 120.558 118.700 -0.021 0.000 2.448 355 N HA 0.215 4.955 4.740 -0.001 0.000 0.250 355 N C 0.550 176.075 175.510 0.024 0.000 1.136 355 N CA -0.088 52.960 53.050 -0.003 0.000 0.953 355 N CB 0.735 39.192 38.487 -0.050 0.000 1.251 355 N HN 0.528 nan 8.380 nan 0.000 0.502 356 L N 1.155 122.425 121.223 0.078 0.000 2.185 356 L HA 0.035 4.375 4.340 -0.001 0.000 0.198 356 L C 1.042 177.940 176.870 0.046 0.000 1.079 356 L CA 0.855 55.698 54.840 0.006 0.000 0.780 356 L CB -0.063 41.980 42.059 -0.026 0.000 0.955 356 L HN 0.458 nan 8.230 nan 0.000 0.462 357 Y N -0.030 120.404 120.300 0.223 0.000 2.503 357 Y HA 0.005 4.554 4.550 -0.001 0.000 0.278 357 Y C 1.370 177.436 175.900 0.277 0.000 1.111 357 Y CA -0.276 58.010 58.100 0.311 0.000 1.270 357 Y CB 0.328 38.962 38.460 0.290 0.000 1.063 357 Y HN 0.247 nan 8.280 nan 0.000 0.548 358 E N 0.045 120.350 120.200 0.176 0.000 2.239 358 E HA 0.262 4.612 4.350 -0.001 0.000 0.261 358 E C -1.357 175.223 176.600 -0.033 0.000 1.016 358 E CA -0.641 55.645 56.400 -0.190 0.000 0.882 358 E CB 1.651 30.973 29.700 -0.631 0.000 1.190 358 E HN 0.249 nan 8.360 nan 0.000 0.415 359 H N -0.573 118.392 119.070 -0.175 0.000 2.834 359 H HA 0.581 5.136 4.556 -0.001 0.000 0.369 359 H C -1.369 173.901 175.328 -0.097 0.000 1.174 359 H CA 0.093 56.086 56.048 -0.093 0.000 1.165 359 H CB 1.878 31.606 29.762 -0.056 0.000 1.820 359 H HN 0.721 nan 8.280 nan 0.000 0.558 360 S N 1.924 117.155 115.700 -0.780 0.000 2.578 360 S HA 0.313 4.783 4.470 -0.001 0.000 0.272 360 S C -1.949 172.334 174.600 -0.528 0.000 1.145 360 S CA -1.222 56.710 58.200 -0.445 0.000 0.835 360 S CB 1.553 64.612 63.200 -0.234 0.000 1.104 360 S HN 0.547 nan 8.310 nan 0.000 0.458 361 D N 2.107 122.390 120.400 -0.196 0.000 2.168 361 D HA 0.731 5.371 4.640 -0.001 0.000 0.246 361 D C -1.684 174.573 176.300 -0.071 0.000 1.050 361 D CA -0.695 53.253 54.000 -0.086 0.000 0.857 361 D CB 0.360 41.176 40.800 0.028 0.000 1.169 361 D HN 0.461 nan 8.370 nan 0.000 0.453 372 T N -0.680 113.851 114.554 -0.037 0.000 3.484 372 T HA 0.299 4.649 4.350 -0.001 0.000 0.123 372 T C -0.973 173.684 174.700 -0.073 0.000 0.695 372 T CA 0.150 62.228 62.100 -0.036 0.000 0.749 372 T CB -0.640 68.211 68.868 -0.028 0.000 0.945 372 T HN 1.579 nan 8.240 nan 0.000 0.241 373 L N 2.495 123.644 121.223 -0.123 0.000 2.149 373 L HA -0.059 4.280 4.340 -0.001 0.000 0.464 373 L C -0.986 175.691 176.870 -0.321 0.000 1.003 373 L CA -0.557 54.121 54.840 -0.270 0.000 1.247 373 L CB -1.243 40.591 42.059 -0.375 0.000 1.117 373 L HN 0.709 nan 8.230 nan 0.000 0.567 374 I N 0.893 121.258 120.570 -0.342 0.000 3.074 374 I HA 0.590 4.760 4.170 -0.001 0.000 0.310 374 I C -0.443 175.494 176.117 -0.300 0.000 1.153 374 I CA -1.219 59.954 61.300 -0.212 0.000 0.993 374 I CB 1.749 39.743 38.000 -0.009 0.000 1.237 374 I HN 0.588 nan 8.210 nan 0.000 0.443 375 Y N 1.410 121.584 120.300 -0.210 0.000 2.497 375 Y HA 0.033 4.583 4.550 -0.001 0.000 0.334 375 Y C 1.088 176.680 175.900 -0.513 0.000 1.199 375 Y CA 0.392 58.290 58.100 -0.337 0.000 1.425 375 Y CB 0.209 38.219 38.460 -0.750 0.000 1.291 375 Y HN 0.566 nan 8.280 nan 0.000 0.562 376 N N 3.543 122.212 118.700 -0.052 0.000 2.671 376 N HA -0.019 4.721 4.740 -0.001 0.000 0.274 376 N C 0.215 175.676 175.510 -0.082 0.000 1.188 376 N CA -0.130 52.890 53.050 -0.049 0.000 1.065 376 N CB -0.011 38.541 38.487 0.108 0.000 1.415 376 N HN 0.684 nan 8.380 nan 0.000 0.511 377 Y N 1.135 121.428 120.300 -0.011 0.000 2.315 377 Y HA -0.131 4.418 4.550 -0.001 0.000 0.288 377 Y C 2.425 178.321 175.900 -0.007 0.000 1.154 377 Y CA 1.043 59.088 58.100 -0.092 0.000 1.229 377 Y CB 0.017 38.384 38.460 -0.155 0.000 0.980 377 Y HN 0.551 nan 8.280 nan 0.000 0.540 378 G N -0.007 108.865 108.800 0.120 0.000 2.484 378 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.218 378 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.218 378 G C 0.724 175.672 174.900 0.080 0.000 1.130 378 G CA -0.289 44.865 45.100 0.089 0.000 0.784 378 G HN 0.172 nan 8.290 nan 0.000 0.543 379 R N 0.229 120.775 120.500 0.077 0.000 2.401 379 R HA 0.278 4.617 4.340 -0.001 0.000 0.299 379 R C 1.778 178.109 176.300 0.052 0.000 1.064 379 R CA -0.435 55.710 56.100 0.075 0.000 1.000 379 R CB 0.520 30.879 30.300 0.099 0.000 0.973 379 R HN 0.082 nan 8.270 nan 0.000 0.438 380 R N 3.220 123.736 120.500 0.026 0.000 2.112 380 R HA -0.220 4.120 4.340 -0.001 0.000 0.242 380 R C 0.933 177.201 176.300 -0.052 0.000 1.137 380 R CA 2.475 58.570 56.100 -0.008 0.000 0.944 380 R CB -0.097 30.184 30.300 -0.032 0.000 0.857 380 R HN 0.760 nan 8.270 nan 0.000 0.435 381 E N -0.947 119.151 120.200 -0.171 0.000 2.150 381 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 381 E C 1.901 178.370 176.600 -0.217 0.000 0.985 381 E CA 1.111 57.267 56.400 -0.407 0.000 0.814 381 E CB -0.172 28.826 29.700 -1.169 0.000 0.752 381 E HN 0.152 nan 8.360 nan 0.000 0.466 382 V N 0.371 120.241 119.914 -0.073 0.000 2.649 382 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 382 V C 2.091 178.323 176.094 0.230 0.000 1.054 382 V CA 1.698 64.061 62.300 0.106 0.000 1.073 382 V CB -0.151 31.741 31.823 0.115 0.000 0.699 382 V HN 0.426 nan 8.190 nan 0.000 0.463 383 S N -0.279 115.529 115.700 0.181 0.000 2.436 383 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 383 S C 1.737 176.539 174.600 0.338 0.000 1.014 383 S CA 1.091 59.456 58.200 0.275 0.000 0.950 383 S CB -0.527 62.874 63.200 0.336 0.000 0.784 383 S HN 0.596 nan 8.310 nan 0.000 0.504 384 N N 1.451 120.308 118.700 0.261 0.000 2.120 384 N HA -0.015 4.725 4.740 -0.001 0.000 0.188 384 N C 1.267 177.024 175.510 0.413 0.000 1.024 384 N CA 1.272 54.491 53.050 0.282 0.000 0.852 384 N CB -0.832 37.763 38.487 0.179 0.000 1.003 384 N HN 0.521 nan 8.380 nan 0.000 0.424 385 F N 1.553 121.680 119.950 0.296 0.000 2.120 385 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 385 F C 1.943 177.966 175.800 0.372 0.000 1.095 385 F CA 1.333 59.568 58.000 0.391 0.000 1.249 385 F CB -0.254 38.973 39.000 0.378 0.000 0.995 385 F HN -0.028 nan 8.300 nan 0.000 0.480 386 L N -1.364 120.027 121.223 0.279 0.000 2.102 386 L HA -0.104 4.236 4.340 -0.001 0.000 0.202 386 L C 2.394 179.577 176.870 0.522 0.000 1.076 386 L CA 0.633 55.614 54.840 0.235 0.000 0.761 386 L CB -0.867 41.288 42.059 0.160 0.000 0.921 386 L HN -0.084 nan 8.230 nan 0.000 0.444 387 V N 0.544 120.769 119.914 0.519 0.000 2.332 387 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 387 V C 2.613 178.896 176.094 0.316 0.000 1.055 387 V CA 2.154 64.696 62.300 0.403 0.000 1.038 387 V CB -1.199 30.808 31.823 0.307 0.000 0.651 387 V HN 0.583 nan 8.190 nan 0.000 0.450 388 G N -0.430 108.591 108.800 0.367 0.000 2.422 388 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.218 388 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.218 388 G C 1.491 176.619 174.900 0.379 0.000 1.146 388 G CA 0.955 46.343 45.100 0.479 0.000 0.769 388 G HN 0.564 nan 8.290 nan 0.000 0.547 389 N N 1.049 119.862 118.700 0.188 0.000 2.149 389 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 389 N C 2.483 177.937 175.510 -0.094 0.000 1.019 389 N CA 1.247 54.156 53.050 -0.235 0.000 0.857 389 N CB -0.154 38.105 38.487 -0.381 0.000 0.997 389 N HN 0.264 nan 8.380 nan 0.000 0.426 390 A N 1.113 123.894 122.820 -0.065 0.000 1.898 390 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 390 A C 2.089 179.555 177.584 -0.197 0.000 1.181 390 A CA 0.721 52.459 52.037 -0.498 0.000 0.620 390 A CB -0.628 17.861 19.000 -0.853 0.000 0.819 390 A HN 0.292 nan 8.150 nan 0.000 0.442 391 L N -1.468 119.733 121.223 -0.035 0.000 2.131 391 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 391 L C 2.254 179.127 176.870 0.004 0.000 1.092 391 L CA 1.788 56.657 54.840 0.048 0.000 0.759 391 L CB -1.226 40.953 42.059 0.201 0.000 0.903 391 L HN 0.621 nan 8.230 nan 0.000 0.435 392 Y N -1.243 118.857 120.300 -0.335 0.000 2.070 392 Y HA -0.299 4.251 4.550 -0.001 0.000 0.280 392 Y C 2.242 177.980 175.900 -0.270 0.000 1.148 392 Y CA 1.861 59.566 58.100 -0.659 0.000 1.125 392 Y CB -0.819 37.055 38.460 -0.977 0.000 0.975 392 Y HN 0.166 nan 8.280 nan 0.000 0.492 393 W N 0.341 121.553 121.300 -0.146 0.000 2.350 393 W HA -0.190 4.470 4.660 -0.001 0.000 0.289 393 W C 2.259 178.732 176.519 -0.078 0.000 1.215 393 W CA 1.301 58.563 57.345 -0.138 0.000 1.236 393 W CB -0.231 29.144 29.460 -0.141 0.000 1.130 393 W HN 0.107 nan 8.180 nan 0.000 0.541 394 I N -0.502 120.123 120.570 0.091 0.000 2.400 394 I HA -0.164 4.006 4.170 -0.001 0.000 0.248 394 I C 2.068 178.185 176.117 0.000 0.000 1.109 394 I CA 1.237 62.556 61.300 0.031 0.000 1.425 394 I CB -0.434 37.550 38.000 -0.027 0.000 1.094 394 I HN -0.050 nan 8.210 nan 0.000 0.425 395 E N 0.416 120.604 120.200 -0.020 0.000 2.230 395 E HA -0.030 4.319 4.350 -0.001 0.000 0.192 395 E C 1.769 178.316 176.600 -0.088 0.000 0.987 395 E CA 0.497 56.882 56.400 -0.026 0.000 0.841 395 E CB 0.281 30.006 29.700 0.043 0.000 0.783 395 E HN 0.297 nan 8.360 nan 0.000 0.481 396 R N -0.918 119.475 120.500 -0.179 0.000 2.404 396 R HA 0.162 4.502 4.340 -0.001 0.000 0.237 396 R C 0.682 176.638 176.300 -0.573 0.000 0.907 396 R CA 0.261 56.135 56.100 -0.377 0.000 1.063 396 R CB 0.434 30.397 30.300 -0.562 0.000 1.134 396 R HN 0.160 nan 8.270 nan 0.000 0.529 397 F N -0.806 119.039 119.950 -0.175 0.000 2.817 397 F HA 0.266 4.792 4.527 -0.001 0.000 0.333 397 F C 1.222 176.981 175.800 -0.069 0.000 1.085 397 F CA 0.384 58.329 58.000 -0.091 0.000 1.170 397 F CB 0.991 40.039 39.000 0.079 0.000 1.066 397 F HN 0.142 nan 8.300 nan 0.000 0.564 398 G N 1.641 110.494 108.800 0.089 0.000 2.160 398 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.251 398 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.251 398 G C 0.186 175.177 174.900 0.151 0.000 1.008 398 G CA -0.244 44.912 45.100 0.094 0.000 0.724 398 G HN 0.115 nan 8.290 nan 0.000 0.514 399 I N 1.102 121.746 120.570 0.124 0.000 2.710 399 I HA 0.073 4.242 4.170 -0.001 0.000 0.286 399 I C 1.012 177.145 176.117 0.028 0.000 1.181 399 I CA 0.231 61.581 61.300 0.084 0.000 1.430 399 I CB 0.618 38.675 38.000 0.095 0.000 1.367 399 I HN 0.141 nan 8.210 nan 0.000 0.577 400 D N 4.560 124.972 120.400 0.019 0.000 2.355 400 D HA 0.243 4.883 4.640 -0.001 0.000 0.206 400 D C 0.495 176.769 176.300 -0.044 0.000 1.010 400 D CA 0.561 54.542 54.000 -0.033 0.000 0.875 400 D CB 0.988 41.761 40.800 -0.044 0.000 0.966 400 D HN 0.617 nan 8.370 nan 0.000 0.512 401 A N 0.383 123.196 122.820 -0.010 0.000 2.589 401 A HA 0.615 4.935 4.320 -0.001 0.000 0.296 401 A C -1.627 175.964 177.584 0.011 0.000 1.062 401 A CA -0.603 51.429 52.037 -0.008 0.000 0.686 401 A CB 1.069 20.108 19.000 0.065 0.000 1.282 401 A HN 0.033 nan 8.150 nan 0.000 0.404 402 L N 1.363 122.600 121.223 0.024 0.000 2.342 402 L HA 0.737 5.077 4.340 -0.001 0.000 0.271 402 L C 0.276 177.274 176.870 0.213 0.000 1.008 402 L CA -0.713 54.173 54.840 0.077 0.000 0.818 402 L CB 1.963 44.004 42.059 -0.031 0.000 1.296 402 L HN 0.800 nan 8.230 nan 0.000 0.427 403 R N 1.989 122.636 120.500 0.245 0.000 2.513 403 R HA 0.638 4.978 4.340 -0.001 0.000 0.301 403 R C -1.614 174.827 176.300 0.235 0.000 0.968 403 R CA -0.505 55.724 56.100 0.216 0.000 0.872 403 R CB 2.012 32.404 30.300 0.153 0.000 1.177 403 R HN 0.432 nan 8.270 nan 0.000 0.444 404 V N 4.490 124.515 119.914 0.184 0.000 2.617 404 V HA 0.246 4.365 4.120 -0.001 0.000 0.298 404 V C 0.270 176.311 176.094 -0.088 0.000 1.048 404 V CA -0.458 61.921 62.300 0.130 0.000 0.964 404 V CB 1.610 33.570 31.823 0.228 0.000 1.004 404 V HN 0.872 nan 8.190 nan 0.000 0.466 405 D N 2.544 122.921 120.400 -0.038 0.000 2.414 405 D HA 0.505 5.145 4.640 -0.001 0.000 0.241 405 D C 0.231 176.472 176.300 -0.097 0.000 1.008 405 D CA -0.172 53.756 54.000 -0.120 0.000 1.001 405 D CB 2.065 42.849 40.800 -0.027 0.000 1.277 405 D HN 1.013 nan 8.370 nan 0.000 0.538 406 A N 0.412 123.165 122.820 -0.112 0.000 2.596 406 A HA -0.157 4.163 4.320 -0.001 0.000 0.300 406 A C 1.350 178.876 177.584 -0.096 0.000 1.495 406 A CA 0.806 52.799 52.037 -0.074 0.000 0.769 406 A CB -2.121 16.869 19.000 -0.017 0.000 1.047 406 A HN 0.491 nan 8.150 nan 0.000 0.436 407 V N -0.704 119.138 119.914 -0.119 0.000 2.490 407 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 407 V C 2.878 178.899 176.094 -0.121 0.000 1.061 407 V CA 2.684 64.907 62.300 -0.129 0.000 1.064 407 V CB -1.025 30.692 31.823 -0.176 0.000 0.670 407 V HN 1.147 nan 8.190 nan 0.000 0.461 408 A N -0.113 122.685 122.820 -0.036 0.000 1.883 408 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 408 A C 2.488 180.142 177.584 0.117 0.000 1.186 408 A CA 2.301 54.399 52.037 0.101 0.000 0.624 408 A CB -0.756 18.366 19.000 0.204 0.000 0.822 408 A HN 0.532 nan 8.150 nan 0.000 0.444 409 S N -0.230 115.502 115.700 0.054 0.000 2.387 409 S HA -0.217 4.252 4.470 -0.001 0.000 0.230 409 S C 1.997 176.614 174.600 0.027 0.000 1.035 409 S CA 1.910 60.141 58.200 0.051 0.000 1.014 409 S CB -0.446 62.758 63.200 0.007 0.000 0.836 409 S HN 0.594 nan 8.310 nan 0.000 0.466 410 M N 1.000 120.576 119.600 -0.040 0.000 2.099 410 M HA 0.005 4.484 4.480 -0.001 0.000 0.262 410 M C 2.232 178.462 176.300 -0.117 0.000 1.067 410 M CA 1.350 56.616 55.300 -0.057 0.000 1.124 410 M CB -0.587 31.935 32.600 -0.130 0.000 1.353 410 M HN 0.399 nan 8.290 nan 0.000 0.410 411 I N -2.735 117.680 120.570 -0.259 0.000 3.226 411 I HA -0.004 4.166 4.170 -0.001 0.000 0.277 411 I C -0.215 175.640 176.117 -0.436 0.000 1.243 411 I CA 0.360 61.396 61.300 -0.440 0.000 1.459 411 I CB -0.289 37.259 38.000 -0.754 0.000 1.093 411 I HN 0.026 nan 8.210 nan 0.000 0.453 412 Y N 1.417 121.716 120.300 -0.002 0.000 2.352 412 Y HA 0.497 5.046 4.550 -0.001 0.000 0.339 412 Y C 1.229 177.153 175.900 0.040 0.000 0.992 412 Y CA -0.917 57.203 58.100 0.032 0.000 1.100 412 Y CB 1.496 39.978 38.460 0.037 0.000 1.192 412 Y HN -0.192 nan 8.280 nan 0.000 0.458 413 R N 0.497 121.117 120.500 0.201 0.000 2.119 413 R HA -0.001 4.338 4.340 -0.001 0.000 0.222 413 R C -0.544 175.828 176.300 0.120 0.000 1.088 413 R CA 0.820 57.003 56.100 0.137 0.000 0.984 413 R CB -0.213 30.157 30.300 0.117 0.000 0.884 413 R HN 0.837 nan 8.270 nan 0.000 0.447 424 P HA 0.330 nan 4.420 nan 0.000 0.275 424 P C -0.073 177.281 177.300 0.091 0.000 1.266 424 P CA -0.028 63.123 63.100 0.085 0.000 0.793 424 P CB 0.710 32.456 31.700 0.076 0.000 1.074 425 N N 0.538 119.307 118.700 0.115 0.000 2.374 425 N HA -0.022 4.718 4.740 -0.001 0.000 0.284 425 N C 0.674 176.244 175.510 0.099 0.000 1.280 425 N CA -0.072 53.052 53.050 0.122 0.000 0.963 425 N CB -0.061 38.525 38.487 0.164 0.000 1.141 425 N HN 0.226 nan 8.380 nan 0.000 0.565 426 E N -1.112 119.142 120.200 0.090 0.000 2.333 426 E HA -0.023 4.326 4.350 -0.001 0.000 0.198 426 E C 0.483 176.968 176.600 -0.193 0.000 1.007 426 E CA 1.202 57.572 56.400 -0.051 0.000 0.845 426 E CB -0.379 29.268 29.700 -0.089 0.000 0.766 426 E HN 0.543 nan 8.360 nan 0.000 0.507 427 F N -1.683 118.291 119.950 0.041 0.000 2.706 427 F HA 0.344 4.870 4.527 -0.001 0.000 0.308 427 F C 1.599 177.422 175.800 0.038 0.000 1.095 427 F CA 0.321 58.343 58.000 0.037 0.000 1.244 427 F CB 1.404 40.427 39.000 0.038 0.000 1.063 427 F HN 0.097 nan 8.300 nan 0.000 0.582 428 G N 0.047 108.953 108.800 0.176 0.000 2.218 428 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.216 428 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.216 428 G C 0.723 175.697 174.900 0.123 0.000 0.994 428 G CA -0.323 44.851 45.100 0.123 0.000 0.637 428 G HN 0.660 nan 8.290 nan 0.000 0.505 429 G N -0.215 108.677 108.800 0.154 0.000 2.557 429 G HA2 0.533 4.492 3.960 -0.001 0.000 0.292 429 G HA3 0.533 4.492 3.960 -0.001 0.000 0.292 429 G C 0.983 175.973 174.900 0.149 0.000 1.237 429 G CA 0.261 45.445 45.100 0.140 0.000 0.978 429 G HN 0.648 nan 8.290 nan 0.000 0.498 430 R N -0.340 120.263 120.500 0.171 0.000 2.317 430 R HA 0.059 4.399 4.340 -0.001 0.000 0.208 430 R C 0.492 176.980 176.300 0.314 0.000 0.914 430 R CA 0.120 56.342 56.100 0.203 0.000 1.060 430 R CB -0.627 29.766 30.300 0.154 0.000 1.015 430 R HN 0.656 nan 8.270 nan 0.000 0.498 431 E N 1.391 121.756 120.200 0.275 0.000 2.405 431 E HA 0.088 4.438 4.350 -0.001 0.000 0.253 431 E C -0.796 175.864 176.600 0.100 0.000 1.257 431 E CA -0.655 55.851 56.400 0.177 0.000 0.960 431 E CB 0.325 30.110 29.700 0.142 0.000 1.077 431 E HN -0.070 nan 8.360 nan 0.000 0.512 432 N N 0.445 119.152 118.700 0.010 0.000 2.682 432 N HA 0.169 4.909 4.740 -0.001 0.000 0.252 432 N C 0.403 175.920 175.510 0.012 0.000 1.081 432 N CA -0.275 52.790 53.050 0.024 0.000 0.844 432 N CB 0.273 38.763 38.487 0.006 0.000 1.167 432 N HN 0.506 nan 8.380 nan 0.000 0.523 433 L N 0.976 122.235 121.223 0.059 0.000 2.261 433 L HA -0.129 4.211 4.340 -0.001 0.000 0.216 433 L C 1.551 178.450 176.870 0.047 0.000 1.114 433 L CA 0.989 55.867 54.840 0.063 0.000 0.777 433 L CB 0.103 42.233 42.059 0.119 0.000 0.910 433 L HN 0.458 nan 8.230 nan 0.000 0.440 434 E N -0.124 120.107 120.200 0.050 0.000 2.122 434 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 434 E C 2.284 178.920 176.600 0.060 0.000 0.977 434 E CA 1.174 57.619 56.400 0.075 0.000 0.820 434 E CB -0.106 29.644 29.700 0.083 0.000 0.770 434 E HN 0.439 nan 8.360 nan 0.000 0.462 435 A N 0.980 123.780 122.820 -0.033 0.000 1.930 435 A HA -0.025 4.294 4.320 -0.001 0.000 0.215 435 A C 2.258 179.746 177.584 -0.160 0.000 1.176 435 A CA 0.541 52.419 52.037 -0.266 0.000 0.632 435 A CB -0.447 18.356 19.000 -0.328 0.000 0.819 435 A HN 0.095 nan 8.150 nan 0.000 0.445 436 I N 0.040 120.531 120.570 -0.132 0.000 2.179 436 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 436 I C 2.451 178.519 176.117 -0.082 0.000 1.088 436 I CA 1.947 63.162 61.300 -0.142 0.000 1.357 436 I CB -0.164 37.771 38.000 -0.109 0.000 1.051 436 I HN 0.528 nan 8.210 nan 0.000 0.409 437 E N 0.581 120.767 120.200 -0.023 0.000 2.150 437 E HA -0.288 4.061 4.350 -0.001 0.000 0.193 437 E C 2.110 178.712 176.600 0.004 0.000 0.985 437 E CA 1.333 57.731 56.400 -0.002 0.000 0.814 437 E CB -0.533 29.189 29.700 0.037 0.000 0.752 437 E HN 0.455 nan 8.360 nan 0.000 0.466 438 F N 0.723 120.608 119.950 -0.108 0.000 2.171 438 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 438 F C 1.637 177.368 175.800 -0.115 0.000 1.090 438 F CA 1.303 59.243 58.000 -0.101 0.000 1.293 438 F CB -0.125 38.767 39.000 -0.182 0.000 1.013 438 F HN 0.060 nan 8.300 nan 0.000 0.486 439 L N -0.020 120.980 121.223 -0.372 0.000 2.109 439 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 439 L C 2.674 179.300 176.870 -0.407 0.000 1.086 439 L CA 1.147 55.721 54.840 -0.444 0.000 0.760 439 L CB -0.562 41.366 42.059 -0.218 0.000 0.910 439 L HN 0.088 nan 8.230 nan 0.000 0.437 440 R N -0.025 120.316 120.500 -0.265 0.000 2.066 440 R HA -0.130 4.210 4.340 -0.001 0.000 0.232 440 R C 2.020 178.197 176.300 -0.204 0.000 1.131 440 R CA 1.618 57.590 56.100 -0.214 0.000 0.955 440 R CB -0.435 29.790 30.300 -0.125 0.000 0.851 440 R HN 0.370 nan 8.270 nan 0.000 0.432 441 N N -0.222 118.371 118.700 -0.178 0.000 2.025 441 N HA -0.155 4.584 4.740 -0.001 0.000 0.194 441 N C 1.665 177.081 175.510 -0.158 0.000 1.044 441 N CA 2.262 55.234 53.050 -0.131 0.000 0.851 441 N CB -0.243 38.200 38.487 -0.074 0.000 1.036 441 N HN 0.102 nan 8.380 nan 0.000 0.422 442 T N 1.003 115.385 114.554 -0.286 0.000 2.597 442 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 442 T C 1.505 176.125 174.700 -0.134 0.000 1.053 442 T CA 1.345 63.310 62.100 -0.225 0.000 1.165 442 T CB -0.514 68.139 68.868 -0.358 0.000 0.863 442 T HN 0.279 nan 8.240 nan 0.000 0.427 443 N N 0.605 119.181 118.700 -0.207 0.000 2.149 443 N HA -0.106 4.634 4.740 -0.001 0.000 0.188 443 N C 1.976 177.459 175.510 -0.044 0.000 1.019 443 N CA 1.015 53.996 53.050 -0.115 0.000 0.857 443 N CB -0.335 37.958 38.487 -0.323 0.000 0.997 443 N HN 0.424 nan 8.380 nan 0.000 0.426 444 R N 0.793 121.235 120.500 -0.095 0.000 2.066 444 R HA 0.047 4.387 4.340 -0.001 0.000 0.232 444 R C 2.253 178.555 176.300 0.005 0.000 1.131 444 R CA 0.831 56.897 56.100 -0.057 0.000 0.955 444 R CB -0.218 30.041 30.300 -0.068 0.000 0.851 444 R HN 0.124 nan 8.270 nan 0.000 0.432 445 I N 0.815 121.388 120.570 0.006 0.000 2.226 445 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 445 I C 1.949 178.098 176.117 0.054 0.000 1.100 445 I CA 0.747 62.067 61.300 0.034 0.000 1.374 445 I CB -0.174 37.851 38.000 0.041 0.000 1.057 445 I HN 0.196 nan 8.210 nan 0.000 0.413 446 L N 0.741 122.002 121.223 0.062 0.000 2.012 446 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 446 L C 2.574 179.526 176.870 0.136 0.000 1.073 446 L CA 2.215 57.100 54.840 0.075 0.000 0.748 446 L CB -1.740 40.362 42.059 0.071 0.000 0.891 446 L HN 0.265 nan 8.230 nan 0.000 0.431 447 G N -1.578 107.376 108.800 0.256 0.000 2.442 447 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.219 447 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.219 447 G C 1.604 176.582 174.900 0.129 0.000 1.141 447 G CA 0.876 46.143 45.100 0.280 0.000 0.763 447 G HN 0.447 nan 8.290 nan 0.000 0.554 448 E N -0.669 119.579 120.200 0.079 0.000 2.075 448 E HA -0.004 4.345 4.350 -0.001 0.000 0.190 448 E C 2.766 179.389 176.600 0.038 0.000 0.969 448 E CA 0.467 56.896 56.400 0.048 0.000 0.815 448 E CB 0.031 29.752 29.700 0.035 0.000 0.776 448 E HN 0.191 nan 8.360 nan 0.000 0.457 449 Q N -0.049 119.775 119.800 0.040 0.000 2.137 449 Q HA -0.032 4.308 4.340 -0.001 0.000 0.198 449 Q C 1.077 177.087 176.000 0.017 0.000 0.960 449 Q CA 0.955 56.776 55.803 0.031 0.000 0.847 449 Q CB 0.687 29.451 28.738 0.045 0.000 0.915 449 Q HN 0.237 nan 8.270 nan 0.000 0.448 450 V N -1.780 118.139 119.914 0.008 0.000 2.562 450 V HA 0.386 4.505 4.120 -0.001 0.000 0.274 450 V C 0.101 176.171 176.094 -0.040 0.000 1.075 450 V CA -0.851 61.435 62.300 -0.022 0.000 1.204 450 V CB 0.758 32.557 31.823 -0.040 0.000 1.478 450 V HN -0.026 nan 8.190 nan 0.000 0.622 451 S N 2.045 117.735 115.700 -0.016 0.000 2.593 451 S HA 0.399 4.869 4.470 -0.001 0.000 0.300 451 S C 1.641 176.203 174.600 -0.063 0.000 1.267 451 S CA 1.832 60.024 58.200 -0.013 0.000 1.065 451 S CB 0.116 63.319 63.200 0.004 0.000 0.807 451 S HN 2.408 nan 8.310 nan 0.000 0.499 452 G N 2.576 111.317 108.800 -0.099 0.000 2.213 452 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.226 452 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.226 452 G C 0.119 174.885 174.900 -0.222 0.000 0.992 452 G CA 0.012 45.027 45.100 -0.143 0.000 0.632 452 G HN 1.428 nan 8.290 nan 0.000 0.511 453 A N 0.086 122.742 122.820 -0.273 0.000 2.301 453 A HA 0.895 5.215 4.320 -0.001 0.000 0.312 453 A C 0.393 177.573 177.584 -0.673 0.000 1.182 453 A CA 0.159 51.997 52.037 -0.331 0.000 0.826 453 A CB 1.391 20.253 19.000 -0.230 0.000 1.134 453 A HN 1.850 nan 8.150 nan 0.000 0.501 454 V N 0.130 119.680 119.914 -0.606 0.000 2.864 454 V HA 0.931 5.051 4.120 -0.001 0.000 0.314 454 V C -0.042 175.866 176.094 -0.310 0.000 1.073 454 V CA -0.155 61.591 62.300 -0.923 0.000 0.956 454 V CB 1.430 32.903 31.823 -0.583 0.000 1.023 454 V HN 1.141 nan 8.190 nan 0.000 0.435 455 T N 1.462 116.029 114.554 0.022 0.000 2.885 455 T HA 0.804 5.153 4.350 -0.001 0.000 0.285 455 T C -0.462 174.623 174.700 0.641 0.000 1.019 455 T CA -0.827 61.518 62.100 0.407 0.000 1.010 455 T CB 1.699 70.875 68.868 0.514 0.000 1.022 455 T HN 0.798 nan 8.240 nan 0.000 0.466 456 M N 1.496 121.388 119.600 0.486 0.000 2.591 456 M HA 0.752 5.232 4.480 -0.001 0.000 0.306 456 M C -0.662 175.591 176.300 -0.078 0.000 1.190 456 M CA -1.114 54.385 55.300 0.332 0.000 0.889 456 M CB 2.471 35.269 32.600 0.331 0.000 1.728 456 M HN 0.920 nan 8.290 nan 0.000 0.458 457 A N 1.354 123.940 122.820 -0.389 0.000 2.413 457 A HA 0.685 5.004 4.320 -0.001 0.000 0.307 457 A C -1.199 176.085 177.584 -0.500 0.000 1.087 457 A CA -0.576 51.007 52.037 -0.758 0.000 0.750 457 A CB 1.888 19.992 19.000 -1.493 0.000 1.296 457 A HN 0.812 nan 8.150 nan 0.000 0.423 458 E N 1.977 121.858 120.200 -0.532 0.000 2.145 458 E HA 0.319 4.669 4.350 -0.001 0.000 0.262 458 E C -1.312 175.157 176.600 -0.218 0.000 0.883 458 E CA -0.197 55.969 56.400 -0.390 0.000 0.748 458 E CB 1.020 30.352 29.700 -0.613 0.000 1.140 458 E HN 0.633 nan 8.360 nan 0.000 0.417 459 E N 2.382 122.526 120.200 -0.093 0.000 2.266 459 E HA 0.239 4.589 4.350 -0.001 0.000 0.268 459 E C -0.593 176.038 176.600 0.051 0.000 0.879 459 E CA -0.311 56.073 56.400 -0.027 0.000 0.762 459 E CB 1.742 31.432 29.700 -0.017 0.000 1.199 459 E HN 0.482 nan 8.360 nan 0.000 0.422 460 S N 0.594 116.338 115.700 0.072 0.000 2.749 460 S HA 0.064 4.534 4.470 -0.001 0.000 0.246 460 S C 0.592 175.241 174.600 0.082 0.000 1.023 460 S CA 0.149 58.388 58.200 0.064 0.000 1.012 460 S CB -0.160 63.066 63.200 0.043 0.000 0.942 460 S HN 0.424 nan 8.310 nan 0.000 0.531 461 T N -2.011 112.629 114.554 0.143 0.000 3.231 461 T HA 0.288 4.638 4.350 -0.001 0.000 0.292 461 T C -0.392 174.406 174.700 0.163 0.000 1.001 461 T CA -0.132 62.054 62.100 0.142 0.000 0.920 461 T CB -0.336 68.647 68.868 0.193 0.000 1.140 461 T HN 0.129 nan 8.240 nan 0.000 0.525 462 D N 1.012 121.500 120.400 0.147 0.000 2.689 462 D HA -0.174 4.465 4.640 -0.001 0.000 0.237 462 D C -0.324 176.074 176.300 0.163 0.000 1.148 462 D CA 0.443 54.518 54.000 0.125 0.000 0.656 462 D CB -1.792 39.039 40.800 0.052 0.000 1.050 462 D HN 0.606 nan 8.370 nan 0.000 0.426 463 F N 1.550 121.556 119.950 0.094 0.000 2.578 463 F HA 0.219 4.746 4.527 -0.001 0.000 0.376 463 F C -1.574 174.251 175.800 0.042 0.000 1.085 463 F CA -1.391 56.661 58.000 0.086 0.000 1.260 463 F CB 0.667 39.705 39.000 0.064 0.000 1.095 463 F HN -0.149 nan 8.300 nan 0.000 0.573 464 P HA 0.241 nan 4.420 nan 0.000 0.282 464 P C 0.030 177.235 177.300 -0.158 0.000 1.274 464 P CA 0.274 63.224 63.100 -0.250 0.000 0.770 464 P CB 0.910 32.434 31.700 -0.295 0.000 0.867 465 G N 2.282 111.073 108.800 -0.016 0.000 2.203 465 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.231 465 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.231 465 G C 0.661 175.628 174.900 0.111 0.000 1.058 465 G CA -0.116 44.990 45.100 0.010 0.000 0.781 465 G HN 0.340 nan 8.290 nan 0.000 0.496 466 V N 0.759 120.770 119.914 0.161 0.000 2.255 466 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 466 V C 2.444 178.630 176.094 0.154 0.000 1.051 466 V CA 2.876 65.292 62.300 0.194 0.000 1.018 466 V CB -0.255 31.632 31.823 0.107 0.000 0.641 466 V HN 1.362 nan 8.190 nan 0.000 0.445 467 S N 0.444 116.147 115.700 0.006 0.000 2.577 467 S HA 0.364 4.833 4.470 -0.001 0.000 0.239 467 S C 0.161 174.663 174.600 -0.163 0.000 1.236 467 S CA -0.605 57.560 58.200 -0.058 0.000 1.233 467 S CB -0.117 62.981 63.200 -0.169 0.000 0.908 467 S HN 0.297 nan 8.310 nan 0.000 0.493 468 R N 1.084 121.516 120.500 -0.113 0.000 2.854 468 R HA 0.636 4.976 4.340 -0.001 0.000 0.271 468 R C -3.206 173.005 176.300 -0.149 0.000 0.994 468 R CA -2.400 53.612 56.100 -0.147 0.000 0.945 468 R CB 0.520 30.753 30.300 -0.112 0.000 1.194 468 R HN 0.165 nan 8.270 nan 0.000 0.476 469 P HA 0.082 nan 4.420 nan 0.000 0.269 469 P C 0.169 177.395 177.300 -0.123 0.000 1.217 469 P CA -0.043 62.956 63.100 -0.169 0.000 0.783 469 P CB 0.665 32.279 31.700 -0.143 0.000 0.898 470 Q N 1.093 120.816 119.800 -0.127 0.000 2.167 470 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 470 Q C 1.174 177.133 176.000 -0.068 0.000 0.970 470 Q CA 1.926 57.674 55.803 -0.092 0.000 0.855 470 Q CB -0.708 27.970 28.738 -0.101 0.000 0.911 470 Q HN 0.610 nan 8.270 nan 0.000 0.438 471 D N -1.246 119.112 120.400 -0.071 0.000 2.363 471 D HA -0.092 4.548 4.640 -0.001 0.000 0.226 471 D C 0.923 177.191 176.300 -0.053 0.000 1.020 471 D CA 0.548 54.515 54.000 -0.056 0.000 0.892 471 D CB -0.022 40.747 40.800 -0.053 0.000 0.900 471 D HN 0.228 nan 8.370 nan 0.000 0.531 472 M N -0.549 119.016 119.600 -0.059 0.000 2.405 472 M HA 0.328 4.808 4.480 -0.001 0.000 0.292 472 M C 0.963 177.231 176.300 -0.053 0.000 1.111 472 M CA 0.251 55.517 55.300 -0.056 0.000 0.979 472 M CB 1.037 33.599 32.600 -0.064 0.000 1.426 472 M HN 0.201 nan 8.290 nan 0.000 0.509 473 G N 1.182 109.955 108.800 -0.045 0.000 2.160 473 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.244 473 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.244 473 G C 0.221 175.121 174.900 -0.000 0.000 1.022 473 G CA -0.084 44.998 45.100 -0.030 0.000 0.741 473 G HN 0.610 nan 8.290 nan 0.000 0.508 474 G N -1.626 107.170 108.800 -0.007 0.000 2.532 474 G HA2 0.612 4.571 3.960 -0.001 0.000 0.291 474 G HA3 0.612 4.571 3.960 -0.001 0.000 0.291 474 G C 0.729 175.662 174.900 0.055 0.000 1.349 474 G CA -0.426 44.695 45.100 0.035 0.000 1.038 474 G HN 0.389 nan 8.290 nan 0.000 0.518 475 L N 0.046 121.316 121.223 0.079 0.000 2.554 475 L HA 0.294 4.634 4.340 -0.001 0.000 0.225 475 L C 2.236 179.015 176.870 -0.152 0.000 1.104 475 L CA 1.119 55.969 54.840 0.017 0.000 0.866 475 L CB -0.144 42.008 42.059 0.154 0.000 1.047 475 L HN 1.070 nan 8.230 nan 0.000 0.468 476 G N -1.177 107.530 108.800 -0.154 0.000 2.179 476 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 476 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 476 G C 0.426 175.089 174.900 -0.394 0.000 0.977 476 G CA -0.083 44.829 45.100 -0.314 0.000 0.641 476 G HN 0.209 nan 8.290 nan 0.000 0.533 477 F N -0.054 119.821 119.950 -0.125 0.000 2.506 477 F HA 0.331 4.858 4.527 -0.001 0.000 0.351 477 F C 1.810 177.597 175.800 -0.022 0.000 1.136 477 F CA -0.251 57.772 58.000 0.038 0.000 1.298 477 F CB 0.424 39.473 39.000 0.082 0.000 1.145 477 F HN 0.092 nan 8.300 nan 0.000 0.593 478 W N 0.789 122.204 121.300 0.193 0.000 2.441 478 W HA -0.074 4.586 4.660 -0.001 0.000 0.302 478 W C -0.112 176.269 176.519 -0.230 0.000 1.191 478 W CA 0.696 58.051 57.345 0.017 0.000 1.327 478 W CB -0.103 29.354 29.460 -0.006 0.000 1.128 478 W HN 0.335 nan 8.180 nan 0.000 0.522 479 Y N -0.204 120.347 120.300 0.418 0.000 2.570 479 Y HA 0.394 4.943 4.550 -0.001 0.000 0.345 479 Y C -0.231 175.732 175.900 0.104 0.000 1.014 479 Y CA -1.222 57.000 58.100 0.202 0.000 1.063 479 Y CB 1.710 40.327 38.460 0.261 0.000 1.272 479 Y HN -0.423 nan 8.280 nan 0.000 0.477 480 K N 1.215 121.746 120.400 0.220 0.000 2.427 480 K HA 0.399 4.719 4.320 -0.001 0.000 0.252 480 K C -1.719 175.151 176.600 0.450 0.000 0.931 480 K CA -0.605 55.784 56.287 0.170 0.000 0.793 480 K CB 1.051 33.513 32.500 -0.065 0.000 1.211 480 K HN 0.563 nan 8.250 nan 0.000 0.426 481 W N 2.344 123.734 121.300 0.150 0.000 2.181 481 W HA 0.115 4.774 4.660 -0.001 0.000 0.335 481 W C 0.640 177.347 176.519 0.314 0.000 1.310 481 W CA -0.219 57.235 57.345 0.181 0.000 1.226 481 W CB 0.264 29.779 29.460 0.092 0.000 1.155 481 W HN 0.500 nan 8.180 nan 0.000 0.565 482 N N 3.718 122.667 118.700 0.415 0.000 3.105 482 N HA 0.131 4.871 4.740 -0.001 0.000 0.256 482 N C 0.891 176.502 175.510 0.168 0.000 1.174 482 N CA 0.030 53.188 53.050 0.179 0.000 1.030 482 N CB 0.025 38.399 38.487 -0.190 0.000 1.305 482 N HN 0.415 nan 8.380 nan 0.000 0.509 483 L N 0.593 121.919 121.223 0.173 0.000 2.093 483 L HA -0.006 4.334 4.340 -0.001 0.000 0.208 483 L C 2.303 179.139 176.870 -0.057 0.000 1.085 483 L CA 1.227 56.090 54.840 0.037 0.000 0.755 483 L CB -0.428 41.588 42.059 -0.073 0.000 0.904 483 L HN 0.475 nan 8.230 nan 0.000 0.435 484 G N -0.530 108.270 108.800 0.000 0.000 2.469 484 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.219 484 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.219 484 G C 1.321 176.343 174.900 0.204 0.000 1.150 484 G CA 0.727 45.864 45.100 0.062 0.000 0.763 484 G HN 0.523 nan 8.290 nan 0.000 0.561 485 W N 0.281 121.603 121.300 0.036 0.000 2.409 485 W HA 0.066 4.726 4.660 -0.001 0.000 0.299 485 W C 2.504 179.056 176.519 0.055 0.000 1.203 485 W CA 1.434 58.790 57.345 0.018 0.000 1.298 485 W CB 0.033 29.435 29.460 -0.097 0.000 1.127 485 W HN 0.128 nan 8.180 nan 0.000 0.528 486 M N -0.076 119.769 119.600 0.409 0.000 2.080 486 M HA -0.266 4.213 4.480 -0.001 0.000 0.260 486 M C 1.879 178.279 176.300 0.167 0.000 1.068 486 M CA 2.159 57.648 55.300 0.316 0.000 1.109 486 M CB -1.508 31.292 32.600 0.334 0.000 1.342 486 M HN 0.221 nan 8.290 nan 0.000 0.405 487 H N -0.384 118.694 119.070 0.014 0.000 2.321 487 H HA -0.154 4.402 4.556 -0.001 0.000 0.300 487 H C 1.622 176.877 175.328 -0.121 0.000 1.087 487 H CA 1.402 57.425 56.048 -0.042 0.000 1.319 487 H CB 0.051 29.809 29.762 -0.007 0.000 1.379 487 H HN 0.441 nan 8.280 nan 0.000 0.501 488 D N -0.379 120.016 120.400 -0.008 0.000 2.097 488 D HA -0.114 4.525 4.640 -0.001 0.000 0.197 488 D C 2.393 178.527 176.300 -0.277 0.000 0.984 488 D CA 1.895 55.823 54.000 -0.120 0.000 0.826 488 D CB -0.454 40.304 40.800 -0.070 0.000 0.973 488 D HN 0.489 nan 8.370 nan 0.000 0.460 489 T N -1.008 113.250 114.554 -0.494 0.000 2.896 489 T HA -0.059 4.291 4.350 -0.001 0.000 0.263 489 T C 1.998 176.381 174.700 -0.527 0.000 1.050 489 T CA 0.302 62.025 62.100 -0.628 0.000 1.140 489 T CB -0.341 67.922 68.868 -1.008 0.000 0.877 489 T HN -0.064 nan 8.240 nan 0.000 0.457 490 L N 2.059 123.038 121.223 -0.407 0.000 2.093 490 L HA 0.040 4.380 4.340 -0.001 0.000 0.208 490 L C 2.146 178.833 176.870 -0.306 0.000 1.085 490 L CA 1.529 56.151 54.840 -0.364 0.000 0.755 490 L CB -1.018 40.925 42.059 -0.194 0.000 0.904 490 L HN 0.204 nan 8.230 nan 0.000 0.435 491 D N -2.095 118.156 120.400 -0.249 0.000 2.144 491 D HA -0.245 4.395 4.640 -0.001 0.000 0.199 491 D C 2.040 178.184 176.300 -0.259 0.000 0.984 491 D CA 1.033 54.889 54.000 -0.239 0.000 0.834 491 D CB -0.187 40.490 40.800 -0.204 0.000 0.955 491 D HN 0.334 nan 8.370 nan 0.000 0.465 492 Y N 0.914 120.982 120.300 -0.385 0.000 2.114 492 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 492 Y C 2.166 177.808 175.900 -0.430 0.000 1.143 492 Y CA 1.536 59.391 58.100 -0.410 0.000 1.135 492 Y CB -0.131 38.028 38.460 -0.501 0.000 0.980 492 Y HN -0.159 nan 8.280 nan 0.000 0.499 493 M N 0.379 119.742 119.600 -0.395 0.000 2.213 493 M HA -0.197 4.282 4.480 -0.001 0.000 0.263 493 M C 1.880 177.960 176.300 -0.366 0.000 1.062 493 M CA 1.552 56.584 55.300 -0.445 0.000 1.105 493 M CB -1.032 31.226 32.600 -0.570 0.000 1.385 493 M HN 0.259 nan 8.290 nan 0.000 0.417 494 K N 0.220 120.422 120.400 -0.330 0.000 2.209 494 K HA 0.012 4.331 4.320 -0.001 0.000 0.204 494 K C 0.582 177.038 176.600 -0.239 0.000 1.048 494 K CA 0.317 56.450 56.287 -0.258 0.000 0.940 494 K CB -0.241 32.120 32.500 -0.232 0.000 0.729 494 K HN 0.272 nan 8.250 nan 0.000 0.451 495 L N 1.742 122.787 121.223 -0.296 0.000 2.483 495 L HA -0.028 4.312 4.340 -0.001 0.000 0.276 495 L C 0.313 177.089 176.870 -0.157 0.000 1.213 495 L CA -0.310 54.395 54.840 -0.226 0.000 0.843 495 L CB 0.123 42.009 42.059 -0.288 0.000 1.107 495 L HN 0.082 nan 8.230 nan 0.000 0.487 496 D N 2.802 123.194 120.400 -0.013 0.000 2.389 496 D HA 0.088 4.727 4.640 -0.001 0.000 0.247 496 D C -1.563 174.715 176.300 -0.035 0.000 1.128 496 D CA -1.187 52.813 54.000 -0.000 0.000 0.884 496 D CB 1.207 42.056 40.800 0.081 0.000 1.194 496 D HN 0.196 nan 8.370 nan 0.000 0.441 497 P HA -0.271 nan 4.420 nan 0.000 0.220 497 P C 1.520 178.761 177.300 -0.099 0.000 1.155 497 P CA 0.740 63.794 63.100 -0.078 0.000 0.880 497 P CB 0.106 31.787 31.700 -0.032 0.000 0.790 498 V N -1.962 117.863 119.914 -0.148 0.000 2.313 498 V HA -0.270 3.849 4.120 -0.001 0.000 0.253 498 V C 1.958 177.880 176.094 -0.287 0.000 1.070 498 V CA 2.035 64.166 62.300 -0.282 0.000 1.057 498 V CB -1.220 30.317 31.823 -0.475 0.000 0.653 498 V HN 0.130 nan 8.190 nan 0.000 0.450 499 Y N -1.249 119.072 120.300 0.035 0.000 2.462 499 Y HA 0.170 4.719 4.550 -0.001 0.000 0.261 499 Y C 2.256 178.224 175.900 0.113 0.000 1.146 499 Y CA 0.021 58.228 58.100 0.180 0.000 1.283 499 Y CB -0.278 38.292 38.460 0.183 0.000 1.090 499 Y HN 0.071 nan 8.280 nan 0.000 0.526 500 R N 1.218 121.736 120.500 0.029 0.000 2.091 500 R HA -0.226 4.114 4.340 -0.001 0.000 0.238 500 R C 2.380 178.711 176.300 0.052 0.000 1.136 500 R CA 1.914 57.951 56.100 -0.105 0.000 0.959 500 R CB -0.367 29.774 30.300 -0.265 0.000 0.856 500 R HN 0.575 nan 8.270 nan 0.000 0.437 501 Q N -0.890 118.853 119.800 -0.095 0.000 2.268 501 Q HA -0.245 4.094 4.340 -0.001 0.000 0.210 501 Q C 0.779 176.635 176.000 -0.239 0.000 0.988 501 Q CA 1.854 57.533 55.803 -0.206 0.000 0.883 501 Q CB -0.362 28.116 28.738 -0.434 0.000 0.911 501 Q HN 0.562 nan 8.270 nan 0.000 0.430 502 Y N -0.672 119.638 120.300 0.017 0.000 2.466 502 Y HA 0.160 4.710 4.550 -0.001 0.000 0.272 502 Y C 0.813 176.460 175.900 -0.423 0.000 1.169 502 Y CA -0.053 57.936 58.100 -0.184 0.000 1.285 502 Y CB 0.571 38.881 38.460 -0.250 0.000 1.078 502 Y HN 0.271 nan 8.280 nan 0.000 0.523 503 H N -1.949 117.254 119.070 0.222 0.000 2.665 503 H HA 0.103 4.659 4.556 -0.001 0.000 0.248 503 H C 1.136 176.613 175.328 0.248 0.000 1.175 503 H CA -0.071 56.093 56.048 0.194 0.000 0.952 503 H CB -0.007 29.832 29.762 0.129 0.000 1.883 503 H HN 0.494 nan 8.280 nan 0.000 0.623 504 H N 2.023 121.200 119.070 0.178 0.000 2.426 504 H HA -0.117 4.439 4.556 -0.001 0.000 0.298 504 H C 1.257 176.593 175.328 0.013 0.000 1.107 504 H CA 1.795 57.892 56.048 0.081 0.000 1.298 504 H CB 0.449 30.231 29.762 0.033 0.000 1.377 504 H HN 0.567 nan 8.280 nan 0.000 0.519 505 D N 0.426 120.917 120.400 0.153 0.000 2.309 505 D HA -0.143 4.496 4.640 -0.001 0.000 0.212 505 D C 1.688 178.042 176.300 0.090 0.000 0.968 505 D CA 0.647 54.723 54.000 0.127 0.000 0.882 505 D CB -0.291 40.583 40.800 0.124 0.000 0.918 505 D HN 0.316 nan 8.370 nan 0.000 0.503 506 K N -0.655 119.754 120.400 0.014 0.000 2.366 506 K HA 0.026 4.346 4.320 -0.001 0.000 0.198 506 K C 1.536 178.007 176.600 -0.215 0.000 1.044 506 K CA 0.103 56.355 56.287 -0.059 0.000 0.973 506 K CB 0.225 32.712 32.500 -0.023 0.000 0.767 506 K HN 0.026 nan 8.250 nan 0.000 0.475 507 L N -0.285 120.725 121.223 -0.356 0.000 2.463 507 L HA 0.016 4.356 4.340 -0.001 0.000 0.219 507 L C 1.982 178.948 176.870 0.160 0.000 1.088 507 L CA 1.382 55.998 54.840 -0.373 0.000 0.849 507 L CB 0.070 41.595 42.059 -0.890 0.000 1.012 507 L HN 0.194 nan 8.230 nan 0.000 0.468 508 T N -5.459 109.207 114.554 0.187 0.000 3.014 508 T HA -0.032 4.318 4.350 -0.001 0.000 0.250 508 T C 1.792 176.743 174.700 0.417 0.000 1.060 508 T CA 0.029 62.376 62.100 0.413 0.000 1.040 508 T CB -0.586 68.370 68.868 0.146 0.000 0.971 508 T HN 0.095 nan 8.240 nan 0.000 0.497 509 F N 2.660 122.723 119.950 0.188 0.000 2.269 509 F HA 0.156 4.682 4.527 -0.000 0.000 0.301 509 F C 2.327 178.241 175.800 0.190 0.000 1.082 509 F CA 0.989 59.109 58.000 0.201 0.000 1.360 509 F CB -0.481 38.628 39.000 0.183 0.000 1.041 509 F HN 0.278 nan 8.300 nan 0.000 0.512 510 G N 1.392 110.294 108.800 0.171 0.000 2.491 510 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 510 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 510 G C 1.577 176.213 174.900 -0.441 0.000 1.180 510 G CA 1.249 46.298 45.100 -0.084 0.000 0.774 510 G HN 0.329 nan 8.290 nan 0.000 0.562 511 I N 0.712 121.172 120.570 -0.183 0.000 2.194 511 I HA -0.136 4.034 4.170 -0.001 0.000 0.246 511 I C 2.731 178.658 176.117 -0.316 0.000 1.093 511 I CA 0.789 61.847 61.300 -0.403 0.000 1.355 511 I CB -1.304 36.522 38.000 -0.291 0.000 1.046 511 I HN 0.053 nan 8.210 nan 0.000 0.413 512 L N 0.225 121.303 121.223 -0.241 0.000 2.129 512 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 512 L C 2.255 179.067 176.870 -0.096 0.000 1.087 512 L CA 1.874 56.627 54.840 -0.145 0.000 0.757 512 L CB -1.312 40.631 42.059 -0.193 0.000 0.896 512 L HN 0.551 nan 8.230 nan 0.000 0.434 513 Y N -4.478 115.702 120.300 -0.200 0.000 2.557 513 Y HA 0.322 4.872 4.550 -0.001 0.000 0.247 513 Y C 1.727 177.636 175.900 0.015 0.000 1.164 513 Y CA -0.478 57.584 58.100 -0.064 0.000 1.218 513 Y CB -1.262 37.171 38.460 -0.044 0.000 1.210 513 Y HN 0.083 nan 8.280 nan 0.000 0.529 514 N N 0.784 119.168 118.700 -0.528 0.000 2.334 514 N HA -0.231 4.508 4.740 -0.001 0.000 0.187 514 N C 0.079 175.292 175.510 -0.494 0.000 1.016 514 N CA 1.453 54.188 53.050 -0.524 0.000 0.879 514 N CB -0.143 37.755 38.487 -0.983 0.000 0.965 514 N HN 0.561 nan 8.380 nan 0.000 0.438 515 Y N -0.452 119.860 120.300 0.020 0.000 2.524 515 Y HA 0.146 4.695 4.550 -0.000 0.000 0.266 515 Y C 2.134 178.015 175.900 -0.032 0.000 1.180 515 Y CA 0.309 58.402 58.100 -0.012 0.000 1.244 515 Y CB 0.096 38.540 38.460 -0.025 0.000 1.125 515 Y HN 0.095 nan 8.280 nan 0.000 0.524 516 T N -3.267 111.335 114.554 0.081 0.000 3.057 516 T HA 0.156 4.505 4.350 -0.001 0.000 0.254 516 T C 0.379 175.001 174.700 -0.130 0.000 1.094 516 T CA 0.404 62.523 62.100 0.032 0.000 1.088 516 T CB 0.344 69.287 68.868 0.124 0.000 0.934 516 T HN -0.010 nan 8.240 nan 0.000 0.497 517 E N 1.338 121.352 120.200 -0.311 0.000 2.392 517 E HA 0.304 4.654 4.350 -0.001 0.000 0.279 517 E C -1.468 174.615 176.600 -0.862 0.000 0.964 517 E CA -0.748 55.250 56.400 -0.669 0.000 0.777 517 E CB 1.394 30.452 29.700 -1.070 0.000 1.249 517 E HN 0.135 nan 8.360 nan 0.000 0.449 518 N N 2.029 120.201 118.700 -0.880 0.000 2.555 518 N HA 0.234 4.973 4.740 -0.001 0.000 0.244 518 N C -0.559 174.711 175.510 -0.400 0.000 1.114 518 N CA 0.133 52.536 53.050 -1.078 0.000 0.963 518 N CB -0.220 37.422 38.487 -1.407 0.000 1.276 518 N HN 0.205 nan 8.380 nan 0.000 0.510 519 F N 0.287 120.261 119.950 0.040 0.000 2.389 519 F HA 0.255 4.782 4.527 -0.001 0.000 0.337 519 F C 0.963 176.861 175.800 0.163 0.000 1.112 519 F CA -0.708 57.369 58.000 0.128 0.000 1.192 519 F CB 0.988 40.014 39.000 0.044 0.000 1.185 519 F HN -0.005 nan 8.300 nan 0.000 0.552 520 V N 4.252 124.356 119.914 0.317 0.000 2.459 520 V HA 0.281 4.400 4.120 -0.001 0.000 0.295 520 V C -0.164 175.829 176.094 -0.167 0.000 1.029 520 V CA -0.924 61.383 62.300 0.012 0.000 0.874 520 V CB 1.603 33.389 31.823 -0.062 0.000 0.985 520 V HN 0.470 nan 8.190 nan 0.000 0.438 521 L N 7.849 128.845 121.223 -0.378 0.000 2.283 521 L HA 0.415 4.754 4.340 -0.001 0.000 0.287 521 L C -2.351 174.251 176.870 -0.446 0.000 1.073 521 L CA -1.244 53.265 54.840 -0.551 0.000 0.822 521 L CB 0.921 42.351 42.059 -1.049 0.000 1.186 521 L HN 0.438 nan 8.230 nan 0.000 0.436 522 P HA 0.248 nan 4.420 nan 0.000 0.304 522 P C -0.878 176.319 177.300 -0.171 0.000 1.385 522 P CA -0.616 62.198 63.100 -0.477 0.000 0.896 522 P CB 2.063 33.216 31.700 -0.911 0.000 0.958 523 L N 3.151 124.312 121.223 -0.103 0.000 2.475 523 L HA 0.283 4.623 4.340 -0.001 0.000 0.253 523 L C 1.050 177.932 176.870 0.019 0.000 1.137 523 L CA 0.183 55.058 54.840 0.058 0.000 1.058 523 L CB -0.581 41.578 42.059 0.167 0.000 1.382 523 L HN 0.399 nan 8.230 nan 0.000 0.416 524 S N -0.050 115.614 115.700 -0.060 0.000 2.718 524 S HA 0.297 4.767 4.470 -0.001 0.000 0.292 524 S C 1.458 175.916 174.600 -0.238 0.000 1.125 524 S CA 0.139 58.287 58.200 -0.086 0.000 1.013 524 S CB 0.557 63.707 63.200 -0.084 0.000 1.192 524 S HN 0.715 nan 8.310 nan 0.000 0.535 525 H N -0.789 117.852 119.070 -0.715 0.000 2.457 525 H HA 0.114 4.669 4.556 -0.001 0.000 0.294 525 H C 0.990 176.072 175.328 -0.409 0.000 1.064 525 H CA 1.400 56.757 56.048 -1.153 0.000 1.330 525 H CB -0.582 27.983 29.762 -1.995 0.000 1.395 525 H HN 0.590 nan 8.280 nan 0.000 0.541 526 D N 0.881 120.892 120.400 -0.647 0.000 2.351 526 D HA -0.110 4.530 4.640 -0.001 0.000 0.216 526 D C 1.044 177.304 176.300 -0.066 0.000 0.968 526 D CA 0.803 54.637 54.000 -0.277 0.000 0.899 526 D CB 0.031 40.723 40.800 -0.181 0.000 0.907 526 D HN 0.584 nan 8.370 nan 0.000 0.514 527 E N 0.076 120.239 120.200 -0.063 0.000 2.460 527 E HA 0.002 4.352 4.350 -0.001 0.000 0.200 527 E C 1.616 178.234 176.600 0.029 0.000 1.011 527 E CA 0.170 56.578 56.400 0.014 0.000 0.912 527 E CB 0.828 30.557 29.700 0.048 0.000 0.953 527 E HN 0.250 nan 8.360 nan 0.000 0.494 528 V N -1.507 118.424 119.914 0.029 0.000 2.988 528 V HA 0.322 4.441 4.120 -0.001 0.000 0.356 528 V C 0.668 176.828 176.094 0.110 0.000 1.380 528 V CA -0.379 61.974 62.300 0.090 0.000 1.184 528 V CB -0.397 31.522 31.823 0.160 0.000 1.204 528 V HN -0.087 nan 8.190 nan 0.000 0.530 529 V N -3.524 116.418 119.914 0.046 0.000 4.114 529 V HA 0.572 4.692 4.120 -0.001 0.000 0.293 529 V C 0.945 177.018 176.094 -0.035 0.000 1.371 529 V CA -0.767 61.502 62.300 -0.052 0.000 0.929 529 V CB 0.264 31.948 31.823 -0.231 0.000 1.281 529 V HN 0.408 nan 8.190 nan 0.000 0.468 530 H N 1.398 120.555 119.070 0.145 0.000 1.519 530 H HA -0.131 4.424 4.556 -0.001 0.000 0.334 530 H C 1.581 176.945 175.328 0.060 0.000 0.779 530 H CA 1.356 57.462 56.048 0.097 0.000 1.116 530 H CB -1.553 28.266 29.762 0.095 0.000 1.484 530 H HN 1.651 nan 8.280 nan 0.000 0.260 531 G N 0.964 109.837 108.800 0.122 0.000 2.184 531 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.264 531 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.264 531 G C 1.441 176.371 174.900 0.051 0.000 0.975 531 G CA 0.527 45.673 45.100 0.076 0.000 0.642 531 G HN 0.489 nan 8.290 nan 0.000 0.536 532 K N 0.597 121.033 120.400 0.060 0.000 2.362 532 K HA 0.057 4.377 4.320 -0.001 0.000 0.200 532 K C 1.225 177.833 176.600 0.014 0.000 1.046 532 K CA 1.211 57.516 56.287 0.030 0.000 0.952 532 K CB -0.044 32.480 32.500 0.041 0.000 0.753 532 K HN 0.721 nan 8.250 nan 0.000 0.466 533 K N -0.517 119.898 120.400 0.026 0.000 1.501 533 K HA -0.164 4.155 4.320 -0.001 0.000 0.829 533 K C 0.188 176.807 176.600 0.033 0.000 2.218 533 K CA 0.660 56.959 56.287 0.020 0.000 1.473 533 K CB -1.090 31.406 32.500 -0.007 0.000 2.755 533 K HN 0.381 nan 8.250 nan 0.000 0.179 534 S N -0.639 115.078 115.700 0.028 0.000 2.694 534 S HA 0.443 4.913 4.470 -0.001 0.000 0.278 534 S C 1.327 175.942 174.600 0.025 0.000 1.152 534 S CA -0.815 57.412 58.200 0.046 0.000 1.010 534 S CB 0.650 63.874 63.200 0.041 0.000 1.104 534 S HN 0.450 nan 8.310 nan 0.000 0.547 535 I N 0.192 120.790 120.570 0.047 0.000 2.277 535 I HA -0.003 4.166 4.170 -0.001 0.000 0.243 535 I C 2.404 178.494 176.117 -0.045 0.000 1.094 535 I CA 0.861 62.187 61.300 0.044 0.000 1.393 535 I CB -1.584 36.511 38.000 0.157 0.000 1.078 535 I HN 0.629 nan 8.210 nan 0.000 0.417 536 L N 1.429 122.607 121.223 -0.076 0.000 2.013 536 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 536 L C 1.757 178.495 176.870 -0.221 0.000 1.073 536 L CA 2.053 56.767 54.840 -0.211 0.000 0.753 536 L CB -0.822 41.092 42.059 -0.241 0.000 0.890 536 L HN 0.154 nan 8.230 nan 0.000 0.432 537 D N -0.921 119.398 120.400 -0.136 0.000 2.378 537 D HA -0.061 4.578 4.640 -0.001 0.000 0.227 537 D C 2.101 178.328 176.300 -0.121 0.000 1.012 537 D CA 0.505 54.432 54.000 -0.122 0.000 0.905 537 D CB 0.017 40.778 40.800 -0.065 0.000 0.895 537 D HN 0.403 nan 8.370 nan 0.000 0.532 538 R N -0.571 119.851 120.500 -0.130 0.000 2.240 538 R HA 0.105 4.444 4.340 -0.001 0.000 0.203 538 R C 0.576 176.772 176.300 -0.173 0.000 1.011 538 R CA 0.172 56.188 56.100 -0.140 0.000 1.007 538 R CB 0.232 30.450 30.300 -0.137 0.000 0.911 538 R HN 0.097 nan 8.270 nan 0.000 0.468 539 M N 1.803 121.285 119.600 -0.197 0.000 2.242 539 M HA 0.228 4.707 4.480 -0.001 0.000 0.344 539 M C -2.108 174.087 176.300 -0.176 0.000 1.140 539 M CA -2.336 52.838 55.300 -0.209 0.000 1.160 539 M CB 0.198 32.645 32.600 -0.255 0.000 1.491 539 M HN -0.142 nan 8.290 nan 0.000 0.459 540 P HA 0.679 nan 4.420 nan 0.000 0.285 540 P C -0.094 177.155 177.300 -0.085 0.000 1.280 540 P CA 0.014 63.050 63.100 -0.106 0.000 0.862 540 P CB 1.563 33.208 31.700 -0.091 0.000 1.153 541 G N 1.174 109.942 108.800 -0.053 0.000 2.685 541 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.387 541 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.387 541 G C -0.690 174.195 174.900 -0.025 0.000 1.324 541 G CA -0.153 44.933 45.100 -0.022 0.000 0.878 541 G HN 0.831 nan 8.290 nan 0.000 0.527 542 D N -0.025 120.384 120.400 0.014 0.000 2.346 542 D HA 0.548 5.187 4.640 -0.001 0.000 0.249 542 D C 1.834 178.124 176.300 -0.016 0.000 1.308 542 D CA 0.695 54.708 54.000 0.023 0.000 0.987 542 D CB -0.074 40.767 40.800 0.069 0.000 1.114 542 D HN 1.367 nan 8.370 nan 0.000 0.529 543 A N -0.526 122.283 122.820 -0.019 0.000 1.883 543 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 543 A C 2.097 179.466 177.584 -0.358 0.000 1.186 543 A CA 1.724 53.659 52.037 -0.170 0.000 0.624 543 A CB -1.506 17.433 19.000 -0.103 0.000 0.822 543 A HN 0.779 nan 8.150 nan 0.000 0.444 544 W N 0.490 121.574 121.300 -0.361 0.000 2.363 544 W HA -0.193 4.467 4.660 -0.001 0.000 0.296 544 W C 2.290 178.728 176.519 -0.135 0.000 1.212 544 W CA 2.046 59.215 57.345 -0.294 0.000 1.260 544 W CB -0.062 29.430 29.460 0.054 0.000 1.131 544 W HN 0.438 nan 8.180 nan 0.000 0.530 545 Q N -0.318 119.579 119.800 0.161 0.000 2.331 545 Q HA -0.101 4.238 4.340 -0.001 0.000 0.203 545 Q C 2.045 177.968 176.000 -0.128 0.000 0.944 545 Q CA 0.938 56.789 55.803 0.081 0.000 0.892 545 Q CB -0.058 28.785 28.738 0.176 0.000 0.983 545 Q HN 0.291 nan 8.270 nan 0.000 0.482 546 K N -0.115 120.156 120.400 -0.214 0.000 2.057 546 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 546 K C 1.503 177.822 176.600 -0.467 0.000 1.050 546 K CA 1.123 57.196 56.287 -0.357 0.000 0.935 546 K CB 0.046 32.266 32.500 -0.467 0.000 0.715 546 K HN 0.124 nan 8.250 nan 0.000 0.439 547 F N 0.555 120.247 119.950 -0.429 0.000 2.367 547 F HA -0.005 4.521 4.527 -0.001 0.000 0.298 547 F C 2.342 177.924 175.800 -0.362 0.000 1.094 547 F CA 0.620 58.387 58.000 -0.390 0.000 1.409 547 F CB -0.226 38.508 39.000 -0.444 0.000 1.064 547 F HN 0.014 nan 8.300 nan 0.000 0.528 548 A N 0.448 123.068 122.820 -0.333 0.000 1.877 548 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 548 A C 2.181 179.658 177.584 -0.177 0.000 1.186 548 A CA 1.773 53.575 52.037 -0.392 0.000 0.620 548 A CB -0.880 17.681 19.000 -0.731 0.000 0.822 548 A HN 0.334 nan 8.150 nan 0.000 0.443 549 N N -0.332 118.284 118.700 -0.140 0.000 2.094 549 N HA -0.192 4.548 4.740 -0.001 0.000 0.191 549 N C 1.703 177.193 175.510 -0.032 0.000 1.023 549 N CA 1.792 54.816 53.050 -0.044 0.000 0.857 549 N CB -0.370 38.064 38.487 -0.088 0.000 1.013 549 N HN 0.404 nan 8.380 nan 0.000 0.426 550 L N 2.022 123.156 121.223 -0.148 0.000 2.017 550 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 550 L C 2.342 179.037 176.870 -0.293 0.000 1.073 550 L CA 1.530 56.226 54.840 -0.241 0.000 0.745 550 L CB -0.351 41.513 42.059 -0.324 0.000 0.894 550 L HN 0.028 nan 8.230 nan 0.000 0.432 551 R N -0.626 119.775 120.500 -0.165 0.000 2.096 551 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 551 R C 2.212 178.526 176.300 0.024 0.000 1.127 551 R CA 1.240 57.282 56.100 -0.096 0.000 0.968 551 R CB -0.691 29.561 30.300 -0.080 0.000 0.861 551 R HN 0.519 nan 8.270 nan 0.000 0.440 552 A N 0.535 123.396 122.820 0.070 0.000 1.930 552 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 552 A C 1.990 179.824 177.584 0.417 0.000 1.175 552 A CA 1.053 53.194 52.037 0.174 0.000 0.627 552 A CB -0.722 18.335 19.000 0.095 0.000 0.815 552 A HN 0.499 nan 8.150 nan 0.000 0.443 553 Y N -1.211 119.242 120.300 0.256 0.000 2.181 553 Y HA -0.284 4.266 4.550 -0.001 0.000 0.288 553 Y C 2.265 178.503 175.900 0.564 0.000 1.146 553 Y CA 1.818 60.130 58.100 0.353 0.000 1.164 553 Y CB -0.215 38.316 38.460 0.119 0.000 0.982 553 Y HN 0.367 nan 8.280 nan 0.000 0.515 554 Y N 0.278 120.713 120.300 0.225 0.000 2.181 554 Y HA -0.118 4.432 4.550 -0.001 0.000 0.288 554 Y C 2.682 178.825 175.900 0.406 0.000 1.146 554 Y CA 0.748 59.003 58.100 0.258 0.000 1.164 554 Y CB -1.438 37.089 38.460 0.113 0.000 0.982 554 Y HN 0.239 nan 8.280 nan 0.000 0.515 555 G N -0.498 108.584 108.800 0.471 0.000 2.440 555 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 555 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 555 G C 1.698 177.050 174.900 0.753 0.000 1.154 555 G CA 0.734 46.118 45.100 0.473 0.000 0.767 555 G HN 0.551 nan 8.290 nan 0.000 0.552 556 W N 0.698 122.317 121.300 0.532 0.000 2.378 556 W HA -0.044 4.616 4.660 -0.000 0.000 0.313 556 W C 2.387 179.251 176.519 0.575 0.000 1.197 556 W CA 1.433 59.132 57.345 0.589 0.000 1.304 556 W CB -0.299 29.539 29.460 0.630 0.000 1.148 556 W HN 0.290 nan 8.180 nan 0.000 0.494 557 M N 0.049 120.036 119.600 0.645 0.000 2.082 557 M HA -0.285 4.195 4.480 -0.001 0.000 0.258 557 M C 2.141 178.486 176.300 0.074 0.000 1.069 557 M CA 2.347 57.846 55.300 0.332 0.000 1.102 557 M CB -0.994 31.739 32.600 0.222 0.000 1.336 557 M HN 0.040 nan 8.290 nan 0.000 0.404 558 W N -0.104 121.264 121.300 0.112 0.000 2.611 558 W HA -0.004 4.656 4.660 -0.001 0.000 0.251 558 W C 1.994 178.516 176.519 0.005 0.000 1.265 558 W CA 0.993 58.349 57.345 0.018 0.000 1.295 558 W CB -0.109 29.470 29.460 0.198 0.000 1.129 558 W HN 0.455 nan 8.180 nan 0.000 0.630 559 A N -1.279 121.665 122.820 0.207 0.000 2.140 559 A HA 0.065 4.385 4.320 -0.001 0.000 0.209 559 A C 0.282 177.846 177.584 -0.034 0.000 1.181 559 A CA -0.157 51.829 52.037 -0.085 0.000 0.824 559 A CB -0.497 18.419 19.000 -0.141 0.000 0.879 559 A HN 0.016 nan 8.150 nan 0.000 0.480 560 F N 1.329 121.114 119.950 -0.275 0.000 2.399 560 F HA 0.460 4.987 4.527 -0.000 0.000 0.342 560 F C -2.339 173.167 175.800 -0.490 0.000 1.106 560 F CA -2.495 55.205 58.000 -0.500 0.000 1.196 560 F CB 0.862 39.551 39.000 -0.517 0.000 1.163 560 F HN -0.072 nan 8.300 nan 0.000 0.547 561 P HA 0.289 nan 4.420 nan 0.000 0.264 561 P C -0.585 176.451 177.300 -0.439 0.000 1.183 561 P CA 0.609 63.302 63.100 -0.679 0.000 0.763 561 P CB 0.261 31.422 31.700 -0.900 0.000 0.807 562 G N 1.265 109.882 108.800 -0.305 0.000 2.465 562 G HA2 0.048 4.007 3.960 -0.001 0.000 0.681 562 G HA3 0.048 4.007 3.960 -0.001 0.000 0.681 562 G C -1.247 173.548 174.900 -0.175 0.000 1.340 562 G CA -1.004 44.022 45.100 -0.123 0.000 0.884 562 G HN 0.300 nan 8.290 nan 0.000 0.650 563 K N 0.387 120.752 120.400 -0.059 0.000 2.149 563 K HA 0.477 4.797 4.320 -0.001 0.000 0.245 563 K C 0.220 176.596 176.600 -0.372 0.000 1.024 563 K CA -0.145 56.046 56.287 -0.160 0.000 0.899 563 K CB 0.513 32.925 32.500 -0.146 0.000 1.038 563 K HN 0.521 nan 8.250 nan 0.000 0.496 564 K N 1.357 121.485 120.400 -0.452 0.000 2.323 564 K HA 0.426 4.746 4.320 -0.001 0.000 0.259 564 K C -0.455 175.895 176.600 -0.416 0.000 0.947 564 K CA -0.643 55.249 56.287 -0.658 0.000 0.819 564 K CB 1.544 33.348 32.500 -1.160 0.000 1.109 564 K HN 0.512 nan 8.250 nan 0.000 0.429 565 L N 3.562 124.538 121.223 -0.411 0.000 2.376 565 L HA 0.457 4.796 4.340 -0.001 0.000 0.275 565 L C -1.611 175.152 176.870 -0.178 0.000 0.987 565 L CA -1.111 53.566 54.840 -0.272 0.000 0.828 565 L CB 1.247 43.057 42.059 -0.415 0.000 1.249 565 L HN 0.473 nan 8.230 nan 0.000 0.409 566 L N 5.028 126.242 121.223 -0.014 0.000 2.349 566 L HA 0.484 4.824 4.340 -0.001 0.000 0.278 566 L C -0.831 176.077 176.870 0.063 0.000 0.996 566 L CA -0.120 54.773 54.840 0.088 0.000 0.825 566 L CB 1.529 43.762 42.059 0.289 0.000 1.243 566 L HN 0.494 nan 8.230 nan 0.000 0.412 567 F N 5.771 125.666 119.950 -0.092 0.000 2.429 567 F HA 0.368 4.894 4.527 -0.001 0.000 0.348 567 F C 0.719 176.415 175.800 -0.175 0.000 1.109 567 F CA -0.870 57.016 58.000 -0.190 0.000 1.232 567 F CB 0.812 39.713 39.000 -0.166 0.000 1.157 567 F HN 0.595 nan 8.300 nan 0.000 0.564 568 M N 4.924 123.848 119.600 -1.126 0.000 2.261 568 M HA 0.348 4.827 4.480 -0.001 0.000 0.350 568 M C 0.775 176.698 176.300 -0.628 0.000 1.343 568 M CA 1.124 55.984 55.300 -0.733 0.000 1.003 568 M CB -0.321 31.857 32.600 -0.702 0.000 1.848 568 M HN 0.969 nan 8.290 nan 0.000 0.456 569 G N 3.031 111.591 108.800 -0.399 0.000 2.424 569 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.207 569 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.207 569 G C 0.673 175.130 174.900 -0.738 0.000 1.061 569 G CA 0.343 44.980 45.100 -0.771 0.000 0.657 569 G HN 0.821 nan 8.290 nan 0.000 0.508 570 N N 1.478 120.035 118.700 -0.237 0.000 2.289 570 N HA -0.042 4.698 4.740 -0.001 0.000 0.184 570 N C 1.996 177.555 175.510 0.081 0.000 1.016 570 N CA 1.228 54.280 53.050 0.003 0.000 0.872 570 N CB -0.151 38.436 38.487 0.167 0.000 0.973 570 N HN 0.725 nan 8.380 nan 0.000 0.433 571 E N 1.670 121.913 120.200 0.072 0.000 2.274 571 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 571 E C 0.884 177.671 176.600 0.311 0.000 0.996 571 E CA 0.974 57.520 56.400 0.242 0.000 0.840 571 E CB -0.289 29.654 29.700 0.405 0.000 0.772 571 E HN 0.668 nan 8.360 nan 0.000 0.491 572 F N -1.424 118.669 119.950 0.238 0.000 2.683 572 F HA 0.738 5.265 4.527 -0.001 0.000 0.306 572 F C 0.549 176.534 175.800 0.308 0.000 1.102 572 F CA -0.546 57.594 58.000 0.232 0.000 1.244 572 F CB 0.422 39.506 39.000 0.141 0.000 1.029 572 F HN 0.040 nan 8.300 nan 0.000 0.545 573 A N 1.207 124.083 122.820 0.092 0.000 2.648 573 A HA -0.299 4.021 4.320 -0.001 0.000 0.297 573 A C 0.430 178.131 177.584 0.195 0.000 1.467 573 A CA 0.872 53.012 52.037 0.172 0.000 0.731 573 A CB -2.503 16.693 19.000 0.326 0.000 1.085 573 A HN 0.793 nan 8.150 nan 0.000 0.437 574 Q N -0.382 119.346 119.800 -0.120 0.000 2.304 574 Q HA 0.291 4.630 4.340 -0.001 0.000 0.301 574 Q C 1.461 177.502 176.000 0.069 0.000 1.063 574 Q CA 1.070 56.857 55.803 -0.026 0.000 0.947 574 Q CB 0.405 29.040 28.738 -0.172 0.000 1.201 574 Q HN 1.028 nan 8.270 nan 0.000 0.389 575 G N 4.356 113.225 108.800 0.114 0.000 2.494 575 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.216 575 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.216 575 G C 0.246 175.186 174.900 0.068 0.000 1.140 575 G CA -0.042 45.117 45.100 0.098 0.000 0.801 575 G HN 0.501 nan 8.290 nan 0.000 0.536 576 R N 0.415 120.963 120.500 0.080 0.000 2.643 576 R HA 0.413 4.753 4.340 -0.001 0.000 0.272 576 R C -0.316 176.042 176.300 0.096 0.000 0.995 576 R CA -0.616 55.533 56.100 0.082 0.000 1.032 576 R CB 1.298 31.654 30.300 0.093 0.000 1.126 576 R HN 0.196 nan 8.270 nan 0.000 0.505 577 E N 0.712 120.968 120.200 0.094 0.000 2.442 577 E HA -0.139 4.210 4.350 -0.001 0.000 0.260 577 E C -0.740 175.976 176.600 0.193 0.000 1.148 577 E CA 0.188 56.663 56.400 0.126 0.000 0.976 577 E CB 0.422 30.170 29.700 0.080 0.000 0.967 577 E HN 0.352 nan 8.360 nan 0.000 0.454 578 W N 3.337 124.679 121.300 0.071 0.000 2.253 578 W HA 0.055 4.715 4.660 -0.000 0.000 0.322 578 W C -0.479 176.106 176.519 0.111 0.000 1.342 578 W CA -0.478 56.935 57.345 0.114 0.000 1.218 578 W CB 0.134 29.726 29.460 0.220 0.000 1.205 578 W HN 0.344 nan 8.180 nan 0.000 0.551 579 N N 4.478 122.998 118.700 -0.299 0.000 2.558 579 N HA 0.029 4.769 4.740 -0.001 0.000 0.242 579 N C 0.963 176.221 175.510 -0.420 0.000 0.979 579 N CA -0.449 52.383 53.050 -0.364 0.000 0.931 579 N CB 0.356 38.799 38.487 -0.073 0.000 1.122 579 N HN 0.819 nan 8.380 nan 0.000 0.508 580 H N 1.213 119.783 119.070 -0.833 0.000 2.557 580 H HA -0.056 4.499 4.556 -0.001 0.000 0.287 580 H C 0.365 175.819 175.328 0.210 0.000 1.043 580 H CA 0.939 56.846 56.048 -0.236 0.000 1.226 580 H CB 0.276 29.913 29.762 -0.208 0.000 1.361 580 H HN 0.419 nan 8.280 nan 0.000 0.592 581 D N -0.147 120.033 120.400 -0.366 0.000 2.398 581 D HA 0.382 5.022 4.640 -0.001 0.000 0.210 581 D C 0.239 176.539 176.300 0.001 0.000 1.094 581 D CA 0.387 54.248 54.000 -0.231 0.000 0.839 581 D CB 0.509 41.079 40.800 -0.384 0.000 0.963 581 D HN 0.572 nan 8.370 nan 0.000 0.506 582 A N -0.929 121.937 122.820 0.077 0.000 2.504 582 A HA 0.688 5.007 4.320 -0.001 0.000 0.285 582 A C -0.438 177.271 177.584 0.209 0.000 1.261 582 A CA -0.564 51.544 52.037 0.118 0.000 0.741 582 A CB 1.147 20.194 19.000 0.079 0.000 1.327 582 A HN -0.011 nan 8.150 nan 0.000 0.441 583 S N -0.582 115.234 115.700 0.193 0.000 2.601 583 S HA 0.547 5.017 4.470 -0.001 0.000 0.271 583 S C 0.142 174.872 174.600 0.217 0.000 1.305 583 S CA -0.535 57.807 58.200 0.237 0.000 1.022 583 S CB -0.172 63.157 63.200 0.215 0.000 0.940 583 S HN 0.554 nan 8.310 nan 0.000 0.525 584 L N 2.462 123.796 121.223 0.185 0.000 2.503 584 L HA 0.054 4.393 4.340 -0.001 0.000 0.287 584 L C 0.379 177.218 176.870 -0.051 0.000 1.252 584 L CA -0.045 54.788 54.840 -0.011 0.000 0.835 584 L CB 0.182 42.026 42.059 -0.359 0.000 1.099 584 L HN 0.688 nan 8.230 nan 0.000 0.516 585 D N 1.450 121.840 120.400 -0.017 0.000 2.885 585 D HA -0.013 4.627 4.640 -0.001 0.000 0.234 585 D C 0.761 176.936 176.300 -0.207 0.000 1.129 585 D CA 0.248 54.273 54.000 0.042 0.000 0.991 585 D CB -0.205 40.633 40.800 0.063 0.000 1.137 585 D HN 0.422 nan 8.370 nan 0.000 0.459 586 W N 0.477 121.678 121.300 -0.164 0.000 2.436 586 W HA -0.162 4.497 4.660 -0.001 0.000 0.261 586 W C 2.350 178.685 176.519 -0.307 0.000 1.222 586 W CA 0.449 57.548 57.345 -0.410 0.000 1.191 586 W CB -0.366 28.872 29.460 -0.370 0.000 1.132 586 W HN 0.450 nan 8.180 nan 0.000 0.596 587 H N -0.892 118.179 119.070 0.003 0.000 2.547 587 H HA 0.020 4.576 4.556 -0.001 0.000 0.272 587 H C 1.666 176.952 175.328 -0.070 0.000 0.989 587 H CA 0.878 56.917 56.048 -0.015 0.000 1.214 587 H CB -0.692 29.071 29.762 0.002 0.000 1.389 587 H HN 0.249 nan 8.280 nan 0.000 0.577 588 L N 0.687 121.514 121.223 -0.660 0.000 2.275 588 L HA -0.052 4.288 4.340 -0.001 0.000 0.215 588 L C 1.865 178.508 176.870 -0.378 0.000 1.119 588 L CA 0.635 55.123 54.840 -0.587 0.000 0.790 588 L CB -0.102 41.471 42.059 -0.809 0.000 0.919 588 L HN 0.213 nan 8.230 nan 0.000 0.443 589 L N -0.702 120.340 121.223 -0.302 0.000 2.685 589 L HA 0.170 4.509 4.340 -0.001 0.000 0.233 589 L C 0.611 177.542 176.870 0.102 0.000 1.173 589 L CA -0.081 54.621 54.840 -0.229 0.000 0.961 589 L CB -0.044 41.928 42.059 -0.145 0.000 1.217 589 L HN 0.172 nan 8.230 nan 0.000 0.478 590 E N -0.116 120.122 120.200 0.063 0.000 2.222 590 E HA 0.536 4.886 4.350 -0.001 0.000 0.272 590 E C 0.505 177.183 176.600 0.130 0.000 0.982 590 E CA 0.329 56.792 56.400 0.105 0.000 0.842 590 E CB 1.483 31.234 29.700 0.085 0.000 1.144 590 E HN 0.141 nan 8.360 nan 0.000 0.397 591 G N 1.364 110.224 108.800 0.100 0.000 2.584 591 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.229 591 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.229 591 G C 0.289 175.239 174.900 0.082 0.000 1.320 591 G CA -0.657 44.490 45.100 0.079 0.000 0.891 591 G HN 0.830 nan 8.290 nan 0.000 0.573 592 G N -0.723 108.109 108.800 0.053 0.000 2.667 592 G HA2 0.450 4.410 3.960 -0.001 0.000 0.250 592 G HA3 0.450 4.410 3.960 -0.001 0.000 0.250 592 G C -0.018 174.908 174.900 0.042 0.000 1.212 592 G CA 0.840 45.949 45.100 0.014 0.000 0.874 592 G HN 0.985 nan 8.290 nan 0.000 0.561 593 D N -0.041 120.336 120.400 -0.037 0.000 2.472 593 D HA 0.092 4.731 4.640 -0.001 0.000 0.248 593 D C 0.763 177.143 176.300 0.133 0.000 1.174 593 D CA 0.431 54.440 54.000 0.015 0.000 0.883 593 D CB 0.150 40.959 40.800 0.016 0.000 1.149 593 D HN 0.536 nan 8.370 nan 0.000 0.488 594 N N 1.868 120.783 118.700 0.360 0.000 3.102 594 N HA 0.168 4.908 4.740 -0.001 0.000 0.299 594 N C 0.408 175.757 175.510 -0.269 0.000 1.482 594 N CA -0.954 51.965 53.050 -0.220 0.000 0.785 594 N CB 0.150 38.590 38.487 -0.077 0.000 1.680 594 N HN 0.362 nan 8.380 nan 0.000 0.594 595 W N 0.250 121.248 121.300 -0.504 0.000 2.305 595 W HA -0.141 4.519 4.660 -0.001 0.000 0.308 595 W C 2.300 178.564 176.519 -0.426 0.000 1.226 595 W CA 0.958 57.878 57.345 -0.708 0.000 1.253 595 W CB -0.802 27.586 29.460 -1.787 0.000 1.146 595 W HN 0.524 nan 8.180 nan 0.000 0.507 596 H N -1.332 117.740 119.070 0.004 0.000 2.421 596 H HA -0.118 4.437 4.556 -0.001 0.000 0.298 596 H C 1.943 177.328 175.328 0.094 0.000 1.087 596 H CA 1.673 57.776 56.048 0.092 0.000 1.330 596 H CB -0.600 29.181 29.762 0.031 0.000 1.388 596 H HN 0.361 nan 8.280 nan 0.000 0.526 597 H N -0.154 119.099 119.070 0.305 0.000 2.389 597 H HA -0.037 4.519 4.556 -0.001 0.000 0.299 597 H C 2.531 178.020 175.328 0.269 0.000 1.081 597 H CA 0.977 57.185 56.048 0.267 0.000 1.345 597 H CB -0.408 29.485 29.762 0.217 0.000 1.393 597 H HN 0.416 nan 8.280 nan 0.000 0.520 598 G N 0.799 109.853 108.800 0.424 0.000 2.421 598 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.216 598 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.216 598 G C 1.942 177.010 174.900 0.281 0.000 1.171 598 G CA 1.223 46.552 45.100 0.382 0.000 0.775 598 G HN 0.255 nan 8.290 nan 0.000 0.543 599 V N 0.563 120.625 119.914 0.247 0.000 2.255 599 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 599 V C 2.755 178.955 176.094 0.177 0.000 1.051 599 V CA 2.386 64.805 62.300 0.199 0.000 1.018 599 V CB -0.800 31.200 31.823 0.294 0.000 0.641 599 V HN 0.476 nan 8.190 nan 0.000 0.445 600 Q N -0.192 119.769 119.800 0.269 0.000 2.077 600 Q HA -0.274 4.065 4.340 -0.001 0.000 0.206 600 Q C 2.524 178.619 176.000 0.158 0.000 0.989 600 Q CA 2.075 58.038 55.803 0.267 0.000 0.853 600 Q CB -0.096 28.866 28.738 0.373 0.000 0.907 600 Q HN 0.554 nan 8.270 nan 0.000 0.418 601 R N -0.217 120.401 120.500 0.196 0.000 2.096 601 R HA -0.158 4.182 4.340 -0.001 0.000 0.235 601 R C 2.378 178.700 176.300 0.036 0.000 1.127 601 R CA 1.119 57.328 56.100 0.182 0.000 0.968 601 R CB -0.337 30.149 30.300 0.311 0.000 0.861 601 R HN 0.266 nan 8.270 nan 0.000 0.440 602 L N 0.687 121.782 121.223 -0.213 0.000 1.994 602 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 602 L C 2.077 178.659 176.870 -0.481 0.000 1.071 602 L CA 1.646 56.077 54.840 -0.682 0.000 0.745 602 L CB -0.514 41.032 42.059 -0.856 0.000 0.892 602 L HN -0.111 nan 8.230 nan 0.000 0.431 603 V N 0.283 119.977 119.914 -0.366 0.000 2.332 603 V HA -0.320 3.800 4.120 -0.001 0.000 0.248 603 V C 2.825 178.569 176.094 -0.582 0.000 1.055 603 V CA 2.194 64.162 62.300 -0.555 0.000 1.038 603 V CB -0.888 30.740 31.823 -0.326 0.000 0.651 603 V HN 0.525 nan 8.190 nan 0.000 0.450 604 R N -0.057 120.215 120.500 -0.380 0.000 2.070 604 R HA -0.187 4.153 4.340 -0.001 0.000 0.233 604 R C 2.126 178.210 176.300 -0.360 0.000 1.137 604 R CA 2.152 58.020 56.100 -0.386 0.000 0.945 604 R CB -0.420 29.710 30.300 -0.283 0.000 0.845 604 R HN 0.496 nan 8.270 nan 0.000 0.430 605 D N 0.617 120.850 120.400 -0.278 0.000 2.123 605 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 605 D C 1.893 178.019 176.300 -0.290 0.000 0.992 605 D CA 0.786 54.654 54.000 -0.220 0.000 0.833 605 D CB -0.214 40.525 40.800 -0.102 0.000 0.954 605 D HN 0.096 nan 8.370 nan 0.000 0.455 606 L N 1.245 122.181 121.223 -0.477 0.000 1.990 606 L HA -0.179 4.161 4.340 -0.001 0.000 0.213 606 L C 1.935 178.622 176.870 -0.305 0.000 1.072 606 L CA 1.582 56.072 54.840 -0.584 0.000 0.755 606 L CB -1.141 40.206 42.059 -1.187 0.000 0.889 606 L HN 0.059 nan 8.230 nan 0.000 0.432 607 N N -0.563 117.909 118.700 -0.379 0.000 2.120 607 N HA -0.148 4.592 4.740 -0.001 0.000 0.188 607 N C 1.936 177.471 175.510 0.042 0.000 1.024 607 N CA 1.210 54.230 53.050 -0.049 0.000 0.852 607 N CB -0.303 38.002 38.487 -0.303 0.000 1.003 607 N HN 0.321 nan 8.380 nan 0.000 0.424 608 L N 0.355 121.524 121.223 -0.090 0.000 2.093 608 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 608 L C 2.073 178.985 176.870 0.069 0.000 1.085 608 L CA 1.003 55.807 54.840 -0.060 0.000 0.755 608 L CB -0.638 41.327 42.059 -0.158 0.000 0.904 608 L HN 0.139 nan 8.230 nan 0.000 0.435 609 T N -1.428 113.213 114.554 0.144 0.000 2.896 609 T HA -0.191 4.159 4.350 -0.001 0.000 0.263 609 T C 1.702 176.742 174.700 0.567 0.000 1.050 609 T CA 0.963 63.272 62.100 0.349 0.000 1.140 609 T CB -0.295 68.747 68.868 0.290 0.000 0.877 609 T HN 0.312 nan 8.240 nan 0.000 0.457 610 Y N 2.329 122.897 120.300 0.447 0.000 2.224 610 Y HA -0.072 4.478 4.550 -0.001 0.000 0.289 610 Y C 2.286 178.381 175.900 0.325 0.000 1.146 610 Y CA 1.160 59.535 58.100 0.459 0.000 1.182 610 Y CB -0.164 38.621 38.460 0.540 0.000 0.983 610 Y HN 0.011 nan 8.280 nan 0.000 0.524 611 R N -1.530 118.990 120.500 0.033 0.000 2.093 611 R HA -0.108 4.232 4.340 -0.001 0.000 0.224 611 R C 2.018 178.315 176.300 -0.005 0.000 1.101 611 R CA 1.234 57.223 56.100 -0.185 0.000 0.979 611 R CB -0.533 29.705 30.300 -0.104 0.000 0.877 611 R HN 0.395 nan 8.270 nan 0.000 0.441 612 H N 0.089 119.137 119.070 -0.038 0.000 2.428 612 H HA 0.017 4.573 4.556 -0.001 0.000 0.296 612 H C -0.048 175.157 175.328 -0.205 0.000 1.062 612 H CA 0.986 56.951 56.048 -0.139 0.000 1.350 612 H CB 0.225 29.855 29.762 -0.220 0.000 1.403 612 H HN 0.088 nan 8.280 nan 0.000 0.533 613 H N 0.906 120.016 119.070 0.068 0.000 2.641 613 H HA 0.114 4.670 4.556 -0.001 0.000 0.295 613 H C 0.977 176.209 175.328 -0.159 0.000 1.070 613 H CA -0.335 55.684 56.048 -0.049 0.000 1.257 613 H CB 1.622 31.407 29.762 0.038 0.000 1.393 613 H HN 0.170 nan 8.280 nan 0.000 0.464 614 K N 2.870 123.156 120.400 -0.190 0.000 2.089 614 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 614 K C 2.095 178.375 176.600 -0.534 0.000 1.048 614 K CA 1.653 57.622 56.287 -0.529 0.000 0.926 614 K CB -0.111 32.231 32.500 -0.264 0.000 0.714 614 K HN 0.681 nan 8.250 nan 0.000 0.448 615 A N 0.508 123.185 122.820 -0.237 0.000 1.958 615 A HA -0.230 4.090 4.320 -0.001 0.000 0.221 615 A C 1.833 179.295 177.584 -0.202 0.000 1.178 615 A CA 2.028 53.953 52.037 -0.187 0.000 0.642 615 A CB -0.487 18.440 19.000 -0.121 0.000 0.816 615 A HN 0.217 nan 8.150 nan 0.000 0.453 616 M N -0.605 118.901 119.600 -0.156 0.000 2.630 616 M HA 0.010 4.490 4.480 -0.001 0.000 0.254 616 M C 1.153 177.493 176.300 0.067 0.000 1.092 616 M CA 1.675 56.953 55.300 -0.037 0.000 1.087 616 M CB -1.263 31.421 32.600 0.140 0.000 1.453 616 M HN 0.928 nan 8.290 nan 0.000 0.509 617 H N -3.751 115.269 119.070 -0.085 0.000 3.950 617 H HA 0.307 4.863 4.556 -0.001 0.000 0.262 617 H C 1.409 176.664 175.328 -0.120 0.000 1.115 617 H CA -0.031 55.955 56.048 -0.103 0.000 1.171 617 H CB -0.280 29.320 29.762 -0.270 0.000 1.477 617 H HN 0.232 nan 8.280 nan 0.000 0.729 618 E N 0.553 120.534 120.200 -0.365 0.000 2.152 618 E HA 0.004 4.353 4.350 -0.001 0.000 0.192 618 E C -0.015 176.532 176.600 -0.089 0.000 0.983 618 E CA 0.647 56.945 56.400 -0.170 0.000 0.818 618 E CB 0.342 29.913 29.700 -0.214 0.000 0.758 618 E HN 0.240 nan 8.360 nan 0.000 0.467 619 L N 1.489 122.633 121.223 -0.132 0.000 3.083 619 L HA 0.135 4.474 4.340 -0.001 0.000 0.286 619 L C -0.011 176.746 176.870 -0.189 0.000 1.307 619 L CA 0.108 54.890 54.840 -0.097 0.000 0.897 619 L CB 0.975 43.023 42.059 -0.019 0.000 1.306 619 L HN -0.070 nan 8.230 nan 0.000 0.569 620 D N 0.007 120.156 120.400 -0.419 0.000 2.182 620 D HA -0.155 4.485 4.640 -0.001 0.000 0.201 620 D C 1.408 177.435 176.300 -0.455 0.000 0.986 620 D CA 1.792 55.403 54.000 -0.648 0.000 0.847 620 D CB 0.114 40.217 40.800 -1.162 0.000 0.942 620 D HN 0.421 nan 8.370 nan 0.000 0.467 621 F N -0.479 119.495 119.950 0.041 0.000 2.661 621 F HA 0.185 4.712 4.527 -0.001 0.000 0.306 621 F C 0.677 176.581 175.800 0.174 0.000 1.094 621 F CA -0.793 57.249 58.000 0.070 0.000 1.254 621 F CB 0.837 39.779 39.000 -0.096 0.000 1.040 621 F HN -0.305 nan 8.300 nan 0.000 0.562 622 D N 0.974 121.515 120.400 0.236 0.000 2.278 622 D HA 0.243 4.883 4.640 -0.001 0.000 0.245 622 D C -2.041 174.232 176.300 -0.044 0.000 1.052 622 D CA -2.400 51.642 54.000 0.070 0.000 0.834 622 D CB 2.412 43.257 40.800 0.074 0.000 1.194 622 D HN -0.184 nan 8.370 nan 0.000 0.481 623 P HA -0.142 nan 4.420 nan 0.000 0.219 623 P C 1.046 178.303 177.300 -0.071 0.000 1.146 623 P CA 0.821 63.646 63.100 -0.459 0.000 0.808 623 P CB -0.018 31.384 31.700 -0.497 0.000 0.779 624 Y N 0.462 120.690 120.300 -0.120 0.000 2.403 624 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 624 Y C 2.176 178.046 175.900 -0.050 0.000 1.143 624 Y CA 1.566 59.624 58.100 -0.069 0.000 1.257 624 Y CB -0.881 37.542 38.460 -0.062 0.000 0.984 624 Y HN -0.105 nan 8.280 nan 0.000 0.550 625 G N -1.563 107.209 108.800 -0.048 0.000 2.920 625 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.208 625 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.208 625 G C -0.459 174.373 174.900 -0.113 0.000 1.159 625 G CA -0.020 45.010 45.100 -0.115 0.000 0.784 625 G HN 0.289 nan 8.290 nan 0.000 0.535 626 F N -0.277 119.499 119.950 -0.290 0.000 2.581 626 F HA 0.625 5.152 4.527 -0.001 0.000 0.311 626 F C -1.239 174.361 175.800 -0.333 0.000 1.113 626 F CA -1.178 56.598 58.000 -0.374 0.000 0.935 626 F CB 2.128 40.828 39.000 -0.500 0.000 1.232 626 F HN -0.016 nan 8.300 nan 0.000 0.445 627 E N 5.230 124.868 120.200 -0.935 0.000 2.304 627 E HA 0.214 4.563 4.350 -0.001 0.000 0.277 627 E C -1.801 174.385 176.600 -0.689 0.000 0.898 627 E CA -0.682 55.369 56.400 -0.582 0.000 0.764 627 E CB 1.211 30.750 29.700 -0.269 0.000 1.216 627 E HN 0.704 nan 8.360 nan 0.000 0.419 628 W N 4.628 125.774 121.300 -0.257 0.000 2.181 628 W HA 0.143 4.803 4.660 -0.001 0.000 0.335 628 W C 0.950 177.443 176.519 -0.044 0.000 1.310 628 W CA -0.339 56.962 57.345 -0.074 0.000 1.226 628 W CB 0.622 30.142 29.460 0.100 0.000 1.155 628 W HN 0.576 nan 8.180 nan 0.000 0.565 629 L N 2.382 123.773 121.223 0.280 0.000 2.526 629 L HA 0.207 4.546 4.340 -0.001 0.000 0.210 629 L C 0.041 176.938 176.870 0.046 0.000 1.048 629 L CA 0.257 55.169 54.840 0.120 0.000 0.852 629 L CB -0.162 41.921 42.059 0.040 0.000 1.128 629 L HN 0.081 nan 8.230 nan 0.000 0.482 630 V N 0.487 120.457 119.914 0.094 0.000 2.419 630 V HA 0.206 4.326 4.120 -0.001 0.000 0.287 630 V C 0.275 176.441 176.094 0.119 0.000 1.017 630 V CA -0.112 62.220 62.300 0.053 0.000 0.844 630 V CB 2.328 34.147 31.823 -0.007 0.000 1.011 630 V HN -0.055 nan 8.190 nan 0.000 0.429 631 V N 3.173 123.069 119.914 -0.029 0.000 3.605 631 V HA 0.177 4.297 4.120 -0.001 0.000 0.284 631 V C 1.106 177.133 176.094 -0.112 0.000 1.386 631 V CA 1.146 63.223 62.300 -0.373 0.000 1.053 631 V CB 0.688 32.021 31.823 -0.816 0.000 0.857 631 V HN 1.013 nan 8.190 nan 0.000 0.436 632 D N -1.402 118.983 120.400 -0.025 0.000 2.563 632 D HA 0.080 4.719 4.640 -0.001 0.000 0.237 632 D C 0.260 176.485 176.300 -0.125 0.000 1.282 632 D CA -0.202 53.748 54.000 -0.083 0.000 0.816 632 D CB -0.103 40.676 40.800 -0.035 0.000 1.066 632 D HN 0.324 nan 8.370 nan 0.000 0.501 633 D N 1.598 121.966 120.400 -0.053 0.000 2.508 633 D HA 0.098 4.737 4.640 -0.001 0.000 0.224 633 D C 0.911 177.089 176.300 -0.202 0.000 1.171 633 D CA -0.020 53.969 54.000 -0.018 0.000 1.006 633 D CB 0.648 41.556 40.800 0.180 0.000 1.073 633 D HN 0.072 nan 8.370 nan 0.000 0.513 634 K N 1.400 121.582 120.400 -0.363 0.000 2.044 634 K HA -0.070 4.250 4.320 -0.001 0.000 0.204 634 K C 1.696 178.201 176.600 -0.158 0.000 1.049 634 K CA 0.606 56.640 56.287 -0.421 0.000 0.945 634 K CB 0.278 32.552 32.500 -0.378 0.000 0.724 634 K HN 0.248 nan 8.250 nan 0.000 0.440 635 E N 1.092 121.222 120.200 -0.116 0.000 2.097 635 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 635 E C 1.753 178.334 176.600 -0.031 0.000 1.000 635 E CA 1.412 57.760 56.400 -0.087 0.000 0.804 635 E CB -0.186 29.482 29.700 -0.054 0.000 0.740 635 E HN 0.315 nan 8.360 nan 0.000 0.454 636 R N 0.338 120.854 120.500 0.028 0.000 2.317 636 R HA 0.144 4.484 4.340 -0.001 0.000 0.208 636 R C 0.194 176.551 176.300 0.096 0.000 0.914 636 R CA 0.185 56.325 56.100 0.068 0.000 1.060 636 R CB 0.241 30.617 30.300 0.127 0.000 1.015 636 R HN -0.081 nan 8.270 nan 0.000 0.498 637 S N 0.504 116.291 115.700 0.144 0.000 3.550 637 S HA -0.106 4.364 4.470 -0.001 0.000 0.372 637 S C -0.238 174.520 174.600 0.264 0.000 0.966 637 S CA 0.462 58.835 58.200 0.289 0.000 1.229 637 S CB -1.112 62.263 63.200 0.292 0.000 0.917 637 S HN 0.121 nan 8.310 nan 0.000 0.496 638 V N 1.963 122.006 119.914 0.215 0.000 2.448 638 V HA 0.641 4.761 4.120 -0.001 0.000 0.295 638 V C -0.050 176.160 176.094 0.193 0.000 1.025 638 V CA -0.655 61.693 62.300 0.080 0.000 0.859 638 V CB 1.713 33.445 31.823 -0.152 0.000 0.988 638 V HN 0.369 nan 8.190 nan 0.000 0.431 639 L N 6.390 127.731 121.223 0.196 0.000 2.385 639 L HA 0.664 5.003 4.340 -0.001 0.000 0.273 639 L C -0.573 176.492 176.870 0.325 0.000 0.990 639 L CA -0.044 55.018 54.840 0.370 0.000 0.821 639 L CB 1.898 44.295 42.059 0.564 0.000 1.279 639 L HN 0.442 nan 8.230 nan 0.000 0.412 640 I N 3.599 124.339 120.570 0.283 0.000 2.499 640 I HA 0.573 4.742 4.170 -0.001 0.000 0.288 640 I C -0.936 175.296 176.117 0.193 0.000 1.048 640 I CA -0.527 60.766 61.300 -0.012 0.000 1.062 640 I CB 1.616 39.362 38.000 -0.423 0.000 1.238 640 I HN 0.508 nan 8.210 nan 0.000 0.426 641 F N 4.919 124.833 119.950 -0.060 0.000 2.675 641 F HA 0.863 5.390 4.527 -0.001 0.000 0.324 641 F C -1.528 174.021 175.800 -0.417 0.000 1.106 641 F CA -1.316 56.471 58.000 -0.355 0.000 0.970 641 F CB 1.236 39.707 39.000 -0.881 0.000 1.385 641 F HN 0.066 nan 8.300 nan 0.000 0.489 642 V N 2.157 121.931 119.914 -0.233 0.000 2.604 642 V HA 0.623 4.743 4.120 -0.001 0.000 0.305 642 V C -0.907 175.047 176.094 -0.235 0.000 1.043 642 V CA -0.693 61.473 62.300 -0.224 0.000 0.888 642 V CB 1.855 33.565 31.823 -0.189 0.000 0.995 642 V HN 0.733 nan 8.190 nan 0.000 0.429 643 R N 4.637 125.036 120.500 -0.169 0.000 2.532 643 R HA 0.655 4.995 4.340 -0.001 0.000 0.295 643 R C -0.578 175.614 176.300 -0.179 0.000 0.968 643 R CA -0.580 55.416 56.100 -0.173 0.000 0.916 643 R CB 1.719 31.926 30.300 -0.155 0.000 1.124 643 R HN 0.637 nan 8.270 nan 0.000 0.463 644 R N 0.821 121.199 120.500 -0.203 0.000 2.686 644 R HA 0.220 4.559 4.340 -0.001 0.000 0.283 644 R C -0.652 175.570 176.300 -0.130 0.000 0.978 644 R CA -0.818 55.165 56.100 -0.195 0.000 0.897 644 R CB 1.885 31.966 30.300 -0.365 0.000 1.192 644 R HN 0.677 nan 8.270 nan 0.000 0.457 645 D N 0.643 120.996 120.400 -0.079 0.000 2.432 645 D HA 0.124 4.763 4.640 -0.001 0.000 0.258 645 D C 0.466 176.799 176.300 0.056 0.000 1.146 645 D CA -0.628 53.343 54.000 -0.049 0.000 1.015 645 D CB 0.857 41.605 40.800 -0.086 0.000 1.107 645 D HN 0.221 nan 8.370 nan 0.000 0.529 646 K N -0.906 119.516 120.400 0.036 0.000 2.218 646 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 646 K C 1.064 177.693 176.600 0.048 0.000 1.046 646 K CA 1.111 57.430 56.287 0.053 0.000 0.933 646 K CB 0.060 32.566 32.500 0.010 0.000 0.728 646 K HN 0.420 nan 8.250 nan 0.000 0.454 647 E N -0.798 119.420 120.200 0.030 0.000 2.489 647 E HA 0.011 4.360 4.350 -0.001 0.000 0.193 647 E C 1.064 177.693 176.600 0.047 0.000 1.057 647 E CA 0.604 57.015 56.400 0.020 0.000 0.866 647 E CB 0.820 30.515 29.700 -0.007 0.000 0.916 647 E HN 0.508 nan 8.360 nan 0.000 0.500 648 G N 1.682 110.546 108.800 0.107 0.000 2.195 648 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.246 648 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.246 648 G C 0.303 175.223 174.900 0.033 0.000 0.984 648 G CA -0.119 45.059 45.100 0.130 0.000 0.633 648 G HN 0.205 nan 8.290 nan 0.000 0.525 649 N N 2.050 120.749 118.700 -0.002 0.000 2.454 649 N HA 0.349 5.089 4.740 -0.001 0.000 0.254 649 N C 0.270 175.756 175.510 -0.040 0.000 1.228 649 N CA 1.111 54.142 53.050 -0.032 0.000 0.900 649 N CB 0.486 38.946 38.487 -0.045 0.000 1.089 649 N HN 0.844 nan 8.380 nan 0.000 0.449 650 E N 0.487 120.682 120.200 -0.008 0.000 2.248 650 E HA 0.533 4.882 4.350 -0.001 0.000 0.267 650 E C -0.562 176.100 176.600 0.103 0.000 0.877 650 E CA -0.927 55.484 56.400 0.018 0.000 0.759 650 E CB 1.879 31.597 29.700 0.031 0.000 1.182 650 E HN 0.567 nan 8.360 nan 0.000 0.418 651 I N 0.967 121.547 120.570 0.018 0.000 2.404 651 I HA 0.476 4.646 4.170 -0.001 0.000 0.293 651 I C -0.973 175.133 176.117 -0.019 0.000 0.992 651 I CA -1.056 60.282 61.300 0.063 0.000 1.149 651 I CB 0.975 38.930 38.000 -0.075 0.000 1.315 651 I HN 0.575 nan 8.210 nan 0.000 0.446 652 I N 6.952 127.544 120.570 0.037 0.000 2.395 652 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 652 I C -0.491 175.498 176.117 -0.212 0.000 1.023 652 I CA -0.705 60.502 61.300 -0.154 0.000 1.350 652 I CB 1.521 39.396 38.000 -0.210 0.000 1.409 652 I HN 0.377 nan 8.210 nan 0.000 0.507 653 V N 6.069 125.702 119.914 -0.467 0.000 2.378 653 V HA 0.643 4.763 4.120 -0.001 0.000 0.288 653 V C 0.044 175.834 176.094 -0.506 0.000 1.016 653 V CA -0.464 61.503 62.300 -0.556 0.000 0.840 653 V CB 1.390 32.529 31.823 -1.140 0.000 0.994 653 V HN 0.837 nan 8.190 nan 0.000 0.431 654 A N 3.789 126.477 122.820 -0.219 0.000 2.343 654 A HA 0.866 5.186 4.320 -0.001 0.000 0.308 654 A C -0.268 177.264 177.584 -0.087 0.000 1.092 654 A CA -0.426 51.488 52.037 -0.205 0.000 0.751 654 A CB 1.549 20.375 19.000 -0.289 0.000 1.203 654 A HN 0.652 nan 8.150 nan 0.000 0.452 655 S N 1.391 117.058 115.700 -0.055 0.000 2.513 655 S HA 0.526 4.996 4.470 -0.001 0.000 0.299 655 S C -0.419 173.950 174.600 -0.386 0.000 1.087 655 S CA -0.748 57.328 58.200 -0.207 0.000 1.012 655 S CB 1.263 64.400 63.200 -0.106 0.000 1.044 655 S HN 0.785 nan 8.310 nan 0.000 0.485 656 N N 1.882 120.273 118.700 -0.514 0.000 2.491 656 N HA 0.343 5.082 4.740 -0.001 0.000 0.274 656 N C -1.188 174.096 175.510 -0.376 0.000 1.023 656 N CA -0.394 52.451 53.050 -0.342 0.000 0.902 656 N CB 0.512 38.869 38.487 -0.217 0.000 1.267 656 N HN 0.495 nan 8.380 nan 0.000 0.503 657 F N 1.670 121.636 119.950 0.027 0.000 2.730 657 F HA 0.234 4.761 4.527 -0.001 0.000 0.295 657 F C 0.711 176.515 175.800 0.007 0.000 1.143 657 F CA -0.049 57.971 58.000 0.034 0.000 1.367 657 F CB 1.064 40.124 39.000 0.100 0.000 0.970 657 F HN 0.288 nan 8.300 nan 0.000 0.514 658 T N 0.444 115.064 114.554 0.110 0.000 2.908 658 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 658 T C -2.114 172.628 174.700 0.070 0.000 1.034 658 T CA -1.617 60.527 62.100 0.072 0.000 1.010 658 T CB 2.006 70.902 68.868 0.046 0.000 1.068 658 T HN -0.253 nan 8.240 nan 0.000 0.481 659 P HA 0.190 nan 4.420 nan 0.000 0.253 659 P C -0.334 177.000 177.300 0.058 0.000 1.260 659 P CA 0.073 63.238 63.100 0.108 0.000 0.800 659 P CB 0.086 31.850 31.700 0.106 0.000 1.162 660 V N 2.651 122.583 119.914 0.030 0.000 2.385 660 V HA 0.253 4.373 4.120 -0.001 0.000 0.269 660 V C -2.169 173.913 176.094 -0.021 0.000 1.043 660 V CA -2.008 60.296 62.300 0.006 0.000 0.906 660 V CB 1.036 32.863 31.823 0.007 0.000 0.995 660 V HN -0.029 nan 8.190 nan 0.000 0.467 661 P HA 0.302 nan 4.420 nan 0.000 0.276 661 P C -0.695 176.463 177.300 -0.236 0.000 1.230 661 P CA -0.392 62.621 63.100 -0.144 0.000 0.776 661 P CB 0.522 32.123 31.700 -0.165 0.000 0.888 662 R N 2.895 123.255 120.500 -0.233 0.000 2.295 662 R HA 0.421 4.760 4.340 -0.001 0.000 0.324 662 R C 0.094 176.291 176.300 -0.173 0.000 0.968 662 R CA -0.439 55.587 56.100 -0.123 0.000 0.837 662 R CB 0.541 30.855 30.300 0.023 0.000 1.133 662 R HN 0.619 nan 8.270 nan 0.000 0.450 663 H N 1.424 120.571 119.070 0.130 0.000 2.533 663 H HA 0.178 4.733 4.556 -0.001 0.000 0.343 663 H C 0.007 175.419 175.328 0.141 0.000 1.160 663 H CA -0.397 55.722 56.048 0.119 0.000 1.218 663 H CB 1.335 31.146 29.762 0.081 0.000 1.566 663 H HN 0.502 nan 8.280 nan 0.000 0.522 664 D N 0.572 121.132 120.400 0.266 0.000 2.701 664 D HA -0.292 4.347 4.640 -0.001 0.000 0.235 664 D C -0.315 176.097 176.300 0.188 0.000 1.155 664 D CA 0.705 54.813 54.000 0.181 0.000 0.649 664 D CB -1.642 39.232 40.800 0.123 0.000 1.050 664 D HN 0.480 nan 8.370 nan 0.000 0.425 665 Y N 1.274 121.656 120.300 0.136 0.000 2.480 665 Y HA 0.184 4.733 4.550 -0.001 0.000 0.341 665 Y C 0.848 176.878 175.900 0.216 0.000 1.031 665 Y CA -0.199 57.999 58.100 0.163 0.000 1.295 665 Y CB 0.527 39.078 38.460 0.152 0.000 1.162 665 Y HN -0.018 nan 8.280 nan 0.000 0.523 666 R N 7.341 127.848 120.500 0.012 0.000 2.393 666 R HA 0.547 4.887 4.340 -0.001 0.000 0.310 666 R C -1.811 174.621 176.300 0.219 0.000 0.968 666 R CA -0.523 55.617 56.100 0.066 0.000 0.867 666 R CB 0.656 30.950 30.300 -0.010 0.000 1.124 666 R HN 0.665 nan 8.270 nan 0.000 0.450 667 F N 0.357 120.363 119.950 0.094 0.000 2.631 667 F HA 0.650 5.176 4.527 -0.001 0.000 0.308 667 F C -0.395 175.432 175.800 0.044 0.000 1.097 667 F CA -1.224 56.818 58.000 0.068 0.000 0.952 667 F CB 0.958 39.924 39.000 -0.057 0.000 1.307 667 F HN 0.536 nan 8.300 nan 0.000 0.450 668 G N 1.482 110.404 108.800 0.204 0.000 2.476 668 G HA2 0.577 4.536 3.960 -0.001 0.000 0.269 668 G HA3 0.577 4.536 3.960 -0.001 0.000 0.269 668 G C -0.754 174.183 174.900 0.061 0.000 1.195 668 G CA -0.620 44.538 45.100 0.097 0.000 0.843 668 G HN 1.055 nan 8.290 nan 0.000 0.545 669 I N -1.943 118.623 120.570 -0.006 0.000 3.457 669 I HA 0.544 4.714 4.170 -0.001 0.000 0.307 669 I C 0.265 176.416 176.117 0.056 0.000 1.138 669 I CA -1.444 59.844 61.300 -0.019 0.000 0.974 669 I CB 2.128 40.015 38.000 -0.188 0.000 1.324 669 I HN 0.470 nan 8.210 nan 0.000 0.485 670 N N -0.872 117.868 118.700 0.066 0.000 2.510 670 N HA 0.135 4.875 4.740 -0.001 0.000 0.186 670 N C -0.443 175.129 175.510 0.103 0.000 1.051 670 N CA -0.097 53.007 53.050 0.090 0.000 0.877 670 N CB 0.395 38.922 38.487 0.068 0.000 1.183 670 N HN 0.538 nan 8.380 nan 0.000 0.443 671 Q N 1.772 121.667 119.800 0.157 0.000 2.368 671 Q HA 0.356 4.696 4.340 -0.001 0.000 0.263 671 Q C -2.555 173.533 176.000 0.146 0.000 1.009 671 Q CA -2.056 53.829 55.803 0.138 0.000 0.818 671 Q CB 2.064 30.908 28.738 0.177 0.000 1.239 671 Q HN 0.115 nan 8.270 nan 0.000 0.464 672 P HA 0.302 nan 4.420 nan 0.000 0.272 672 P C 0.230 177.464 177.300 -0.110 0.000 1.240 672 P CA 0.349 63.331 63.100 -0.197 0.000 0.791 672 P CB 1.045 32.354 31.700 -0.652 0.000 0.978 673 G N 0.307 108.990 108.800 -0.195 0.000 2.250 673 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.252 673 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.252 673 G C -1.564 173.042 174.900 -0.491 0.000 1.325 673 G CA -0.779 44.092 45.100 -0.382 0.000 1.091 673 G HN 0.500 nan 8.290 nan 0.000 0.476 674 K N -0.212 119.949 120.400 -0.399 0.000 2.211 674 K HA 0.520 4.840 4.320 -0.001 0.000 0.275 674 K C -1.415 175.019 176.600 -0.277 0.000 1.024 674 K CA -0.194 55.966 56.287 -0.211 0.000 0.887 674 K CB 1.414 33.862 32.500 -0.086 0.000 1.084 674 K HN 0.403 nan 8.250 nan 0.000 0.463 675 W N 2.546 123.807 121.300 -0.065 0.000 2.656 675 W HA 0.440 5.099 4.660 -0.001 0.000 0.327 675 W C 0.016 176.539 176.519 0.006 0.000 1.041 675 W CA -0.671 56.658 57.345 -0.027 0.000 1.229 675 W CB 1.488 30.933 29.460 -0.025 0.000 1.397 675 W HN 0.313 nan 8.180 nan 0.000 0.479 676 R N 1.819 122.449 120.500 0.216 0.000 2.807 676 R HA 0.357 4.697 4.340 -0.001 0.000 0.276 676 R C -0.595 175.798 176.300 0.155 0.000 0.979 676 R CA -0.782 55.405 56.100 0.146 0.000 0.928 676 R CB 1.733 32.079 30.300 0.076 0.000 1.191 676 R HN 0.568 nan 8.270 nan 0.000 0.471 677 E N 3.779 124.050 120.200 0.119 0.000 2.324 677 E HA 0.066 4.416 4.350 -0.001 0.000 0.271 677 E C 0.789 177.438 176.600 0.082 0.000 1.028 677 E CA 0.096 56.559 56.400 0.105 0.000 0.890 677 E CB 0.781 30.522 29.700 0.068 0.000 1.004 677 E HN 0.527 nan 8.360 nan 0.000 0.431 678 I N 0.733 121.366 120.570 0.105 0.000 4.018 678 I HA 0.301 4.471 4.170 -0.001 0.000 0.337 678 I C -0.129 175.998 176.117 0.016 0.000 1.327 678 I CA -0.126 61.227 61.300 0.089 0.000 1.100 678 I CB 0.538 38.626 38.000 0.147 0.000 1.025 678 I HN 0.234 nan 8.210 nan 0.000 0.396 679 L N 1.221 122.413 121.223 -0.052 0.000 2.676 679 L HA 0.488 4.827 4.340 -0.001 0.000 0.262 679 L C -1.882 174.890 176.870 -0.164 0.000 0.932 679 L CA -0.211 54.489 54.840 -0.232 0.000 0.932 679 L CB 1.912 43.526 42.059 -0.742 0.000 1.355 679 L HN 0.191 nan 8.230 nan 0.000 0.421 680 N N 1.348 120.012 118.700 -0.060 0.000 2.504 680 N HA 0.306 5.045 4.740 -0.001 0.000 0.280 680 N C 0.587 176.169 175.510 0.121 0.000 1.052 680 N CA 0.177 53.230 53.050 0.005 0.000 0.887 680 N CB 1.504 39.995 38.487 0.007 0.000 1.323 680 N HN 0.723 nan 8.380 nan 0.000 0.509 681 T N -0.672 113.915 114.554 0.055 0.000 3.160 681 T HA -0.024 4.325 4.350 -0.001 0.000 0.257 681 T C 0.738 175.545 174.700 0.179 0.000 1.147 681 T CA 0.696 62.845 62.100 0.082 0.000 1.064 681 T CB -0.047 68.797 68.868 -0.041 0.000 0.949 681 T HN 0.386 nan 8.240 nan 0.000 0.526 682 D N 1.043 121.537 120.400 0.157 0.000 2.368 682 D HA 0.239 4.879 4.640 -0.001 0.000 0.218 682 D C 0.440 176.842 176.300 0.170 0.000 1.112 682 D CA -0.167 53.936 54.000 0.173 0.000 0.834 682 D CB 0.258 41.157 40.800 0.165 0.000 0.953 682 D HN 0.363 nan 8.370 nan 0.000 0.505 683 S N 0.159 115.929 115.700 0.115 0.000 2.568 683 S HA -0.000 4.469 4.470 -0.001 0.000 0.282 683 S C 1.609 176.204 174.600 -0.008 0.000 1.338 683 S CA -0.498 57.676 58.200 -0.043 0.000 1.045 683 S CB 0.488 63.499 63.200 -0.315 0.000 0.873 683 S HN 0.342 nan 8.310 nan 0.000 0.516 684 M N 3.525 123.138 119.600 0.021 0.000 2.630 684 M HA 0.007 4.487 4.480 -0.001 0.000 0.254 684 M C 1.110 177.372 176.300 -0.064 0.000 1.092 684 M CA 1.317 56.646 55.300 0.048 0.000 1.087 684 M CB -0.556 32.087 32.600 0.072 0.000 1.453 684 M HN 0.763 nan 8.290 nan 0.000 0.509 685 H N -0.450 118.400 119.070 -0.367 0.000 2.524 685 H HA -0.053 4.503 4.556 -0.001 0.000 0.282 685 H C 0.286 175.328 175.328 -0.476 0.000 1.016 685 H CA 1.017 56.773 56.048 -0.485 0.000 1.270 685 H CB 0.221 29.611 29.762 -0.620 0.000 1.394 685 H HN 0.547 nan 8.280 nan 0.000 0.568 686 Y N -1.066 119.222 120.300 -0.020 0.000 2.557 686 Y HA 0.152 4.701 4.550 -0.001 0.000 0.247 686 Y C 0.027 175.953 175.900 0.043 0.000 1.164 686 Y CA -0.571 57.521 58.100 -0.012 0.000 1.218 686 Y CB -0.229 38.254 38.460 0.039 0.000 1.210 686 Y HN 0.172 nan 8.280 nan 0.000 0.529 687 H N -1.809 117.361 119.070 0.166 0.000 2.976 687 H HA -0.082 4.473 4.556 -0.001 0.000 0.273 687 H C 1.151 176.651 175.328 0.287 0.000 1.259 687 H CA 0.230 56.364 56.048 0.143 0.000 1.122 687 H CB -1.081 28.690 29.762 0.014 0.000 1.298 687 H HN 0.522 nan 8.280 nan 0.000 0.379 688 G N -0.477 108.528 108.800 0.341 0.000 2.543 688 G HA2 0.320 4.280 3.960 -0.001 0.000 0.290 688 G HA3 0.320 4.280 3.960 -0.001 0.000 0.290 688 G C 1.073 176.290 174.900 0.528 0.000 1.310 688 G CA -0.061 45.298 45.100 0.431 0.000 1.025 688 G HN 0.338 nan 8.290 nan 0.000 0.502 689 S N -1.136 114.931 115.700 0.610 0.000 2.522 689 S HA -0.092 4.378 4.470 -0.001 0.000 0.227 689 S C 1.244 175.967 174.600 0.204 0.000 0.986 689 S CA 1.198 59.604 58.200 0.344 0.000 0.929 689 S CB -0.606 62.738 63.200 0.240 0.000 0.769 689 S HN 0.853 nan 8.310 nan 0.000 0.529 690 N N -0.085 118.731 118.700 0.195 0.000 2.815 690 N HA -0.156 4.583 4.740 -0.001 0.000 0.249 690 N C -0.203 175.364 175.510 0.096 0.000 1.114 690 N CA 0.332 53.449 53.050 0.112 0.000 0.717 690 N CB -1.556 36.981 38.487 0.083 0.000 1.074 690 N HN 0.634 nan 8.380 nan 0.000 0.555 691 A N 0.164 123.055 122.820 0.119 0.000 2.331 691 A HA 0.768 5.087 4.320 -0.001 0.000 0.283 691 A C 0.937 178.574 177.584 0.089 0.000 1.142 691 A CA 0.744 52.846 52.037 0.108 0.000 0.812 691 A CB 1.417 20.488 19.000 0.119 0.000 1.074 691 A HN 0.559 nan 8.150 nan 0.000 0.497 692 G N 0.398 109.251 108.800 0.088 0.000 2.529 692 G HA2 0.300 4.260 3.960 -0.001 0.000 0.238 692 G HA3 0.300 4.260 3.960 -0.001 0.000 0.238 692 G C -0.134 174.820 174.900 0.090 0.000 1.207 692 G CA -0.070 45.076 45.100 0.078 0.000 0.928 692 G HN 0.514 nan 8.290 nan 0.000 0.495 693 N N -0.325 118.424 118.700 0.081 0.000 2.282 693 N HA 0.392 5.131 4.740 -0.001 0.000 0.185 693 N C 1.331 176.883 175.510 0.072 0.000 1.099 693 N CA 1.300 54.403 53.050 0.089 0.000 0.878 693 N CB 1.273 39.820 38.487 0.100 0.000 0.993 693 N HN 1.279 nan 8.380 nan 0.000 0.481 694 G N -0.311 108.522 108.800 0.055 0.000 3.675 694 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.275 694 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.275 694 G C 0.384 175.308 174.900 0.039 0.000 1.648 694 G CA -0.127 44.998 45.100 0.042 0.000 1.093 694 G HN 0.552 nan 8.290 nan 0.000 0.617 695 G N -0.981 107.849 108.800 0.049 0.000 3.356 695 G HA2 0.586 4.546 3.960 -0.001 0.000 0.178 695 G HA3 0.586 4.546 3.960 -0.001 0.000 0.178 695 G C -0.022 174.922 174.900 0.074 0.000 1.130 695 G CA 0.957 46.088 45.100 0.052 0.000 0.800 695 G HN 1.201 nan 8.290 nan 0.000 0.669 696 T N 0.934 115.533 114.554 0.075 0.000 2.888 696 T HA 0.398 4.747 4.350 -0.001 0.000 0.301 696 T C -0.118 174.654 174.700 0.121 0.000 1.001 696 T CA 0.107 62.266 62.100 0.098 0.000 1.147 696 T CB 1.208 70.127 68.868 0.085 0.000 0.931 696 T HN 0.271 nan 8.240 nan 0.000 0.541 697 V N 4.580 124.586 119.914 0.153 0.000 2.398 697 V HA 0.234 4.354 4.120 -0.001 0.000 0.286 697 V C 0.351 176.564 176.094 0.198 0.000 1.026 697 V CA -0.922 61.473 62.300 0.158 0.000 0.868 697 V CB 1.170 33.073 31.823 0.134 0.000 0.982 697 V HN 0.816 nan 8.190 nan 0.000 0.443 698 H N 3.028 122.163 119.070 0.108 0.000 2.511 698 H HA 0.358 4.913 4.556 -0.001 0.000 0.346 698 H C 0.421 175.815 175.328 0.110 0.000 1.128 698 H CA -0.041 56.077 56.048 0.116 0.000 1.342 698 H CB 1.853 31.658 29.762 0.073 0.000 1.470 698 H HN 0.785 nan 8.280 nan 0.000 0.546 699 S N 3.782 119.497 115.700 0.025 0.000 2.593 699 S HA 0.145 4.615 4.470 -0.001 0.000 0.269 699 S C -0.277 174.458 174.600 0.224 0.000 1.334 699 S CA -0.787 57.465 58.200 0.086 0.000 1.015 699 S CB 1.164 64.392 63.200 0.046 0.000 0.912 699 S HN 0.595 nan 8.310 nan 0.000 0.541 700 D N 0.371 120.859 120.400 0.147 0.000 2.269 700 D HA 0.233 4.872 4.640 -0.001 0.000 0.244 700 D C -0.681 175.711 176.300 0.154 0.000 0.992 700 D CA -0.457 53.630 54.000 0.145 0.000 0.894 700 D CB 1.380 42.218 40.800 0.064 0.000 1.248 700 D HN 0.808 nan 8.370 nan 0.000 0.468 701 E N 1.370 121.634 120.200 0.106 0.000 1.979 701 E HA 0.257 4.607 4.350 -0.001 0.000 0.285 701 E C -0.781 175.771 176.600 -0.079 0.000 1.188 701 E CA -0.075 56.286 56.400 -0.065 0.000 1.214 701 E CB -0.275 29.387 29.700 -0.063 0.000 1.210 701 E HN 0.307 nan 8.360 nan 0.000 0.477 702 I N 2.454 122.985 120.570 -0.066 0.000 2.497 702 I HA 0.301 4.471 4.170 -0.001 0.000 0.284 702 I C 0.002 176.089 176.117 -0.051 0.000 1.060 702 I CA -0.886 60.385 61.300 -0.049 0.000 1.071 702 I CB 1.738 39.723 38.000 -0.025 0.000 1.216 702 I HN 0.289 nan 8.210 nan 0.000 0.442 703 A N 4.357 127.145 122.820 -0.054 0.000 2.540 703 A HA 0.470 4.789 4.320 -0.001 0.000 0.239 703 A C 0.158 177.733 177.584 -0.015 0.000 1.061 703 A CA 0.530 52.545 52.037 -0.036 0.000 0.758 703 A CB 0.408 19.386 19.000 -0.036 0.000 0.991 703 A HN 0.627 nan 8.150 nan 0.000 0.502 704 S N 0.558 116.275 115.700 0.028 0.000 2.543 704 S HA 0.498 4.967 4.470 -0.001 0.000 0.271 704 S C -0.189 174.519 174.600 0.179 0.000 1.148 704 S CA -0.534 57.708 58.200 0.070 0.000 0.914 704 S CB 0.360 63.667 63.200 0.179 0.000 1.096 704 S HN 0.971 nan 8.310 nan 0.000 0.471 705 H N 2.206 121.300 119.070 0.040 0.000 2.690 705 H HA -0.237 4.318 4.556 -0.001 0.000 0.309 705 H C 1.197 176.559 175.328 0.057 0.000 1.138 705 H CA 1.204 57.288 56.048 0.060 0.000 1.142 705 H CB -1.577 28.246 29.762 0.102 0.000 1.410 705 H HN 1.508 nan 8.280 nan 0.000 0.409 706 G N -0.068 108.791 108.800 0.099 0.000 2.159 706 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.256 706 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.256 706 G C 0.283 175.232 174.900 0.081 0.000 0.977 706 G CA 0.524 45.670 45.100 0.078 0.000 0.652 706 G HN 0.571 nan 8.290 nan 0.000 0.531 707 R N -0.452 120.105 120.500 0.094 0.000 2.664 707 R HA 0.542 4.882 4.340 -0.001 0.000 0.286 707 R C 1.213 177.537 176.300 0.040 0.000 0.967 707 R CA -0.406 55.743 56.100 0.082 0.000 0.933 707 R CB 1.142 31.506 30.300 0.107 0.000 1.146 707 R HN 0.237 nan 8.270 nan 0.000 0.468 708 Q N 0.864 120.679 119.800 0.026 0.000 2.020 708 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 708 Q C -0.120 175.750 176.000 -0.216 0.000 0.982 708 Q CA 1.651 57.401 55.803 -0.088 0.000 0.838 708 Q CB 0.153 28.855 28.738 -0.060 0.000 0.899 708 Q HN 0.506 nan 8.270 nan 0.000 0.423 709 H N -1.126 117.955 119.070 0.018 0.000 2.517 709 H HA 0.437 4.993 4.556 -0.001 0.000 0.346 709 H C -0.654 174.648 175.328 -0.043 0.000 1.222 709 H CA 0.011 56.059 56.048 0.001 0.000 1.314 709 H CB 1.787 31.559 29.762 0.016 0.000 1.609 709 H HN 0.193 nan 8.280 nan 0.000 0.571 710 S N 0.350 116.072 115.700 0.036 0.000 2.565 710 S HA 0.506 4.976 4.470 -0.001 0.000 0.269 710 S C -1.633 172.813 174.600 -0.257 0.000 1.153 710 S CA -1.061 57.053 58.200 -0.143 0.000 0.835 710 S CB 1.119 64.262 63.200 -0.095 0.000 1.122 710 S HN 0.436 nan 8.310 nan 0.000 0.462 711 L N 1.498 122.371 121.223 -0.582 0.000 2.334 711 L HA 0.750 5.089 4.340 -0.001 0.000 0.273 711 L C -0.235 176.388 176.870 -0.411 0.000 1.013 711 L CA -0.642 53.865 54.840 -0.554 0.000 0.816 711 L CB 2.155 43.702 42.059 -0.855 0.000 1.278 711 L HN 0.862 nan 8.230 nan 0.000 0.431 712 S N 3.596 119.211 115.700 -0.143 0.000 2.669 712 S HA 0.682 5.151 4.470 -0.001 0.000 0.315 712 S C -0.836 173.820 174.600 0.094 0.000 1.106 712 S CA -0.538 57.667 58.200 0.008 0.000 1.107 712 S CB 0.164 63.381 63.200 0.028 0.000 0.990 712 S HN 0.406 nan 8.310 nan 0.000 0.471 713 L N 2.691 124.038 121.223 0.207 0.000 2.323 713 L HA 0.582 4.921 4.340 -0.001 0.000 0.265 713 L C 0.352 177.357 176.870 0.226 0.000 1.012 713 L CA -1.068 53.900 54.840 0.213 0.000 0.820 713 L CB 2.059 44.267 42.059 0.249 0.000 1.334 713 L HN 0.350 nan 8.230 nan 0.000 0.427 714 T N 2.701 117.365 114.554 0.183 0.000 2.832 714 T HA 0.433 4.782 4.350 -0.001 0.000 0.296 714 T C -0.182 174.556 174.700 0.063 0.000 0.968 714 T CA -0.117 62.073 62.100 0.149 0.000 1.107 714 T CB 0.108 69.090 68.868 0.189 0.000 0.916 714 T HN 0.226 nan 8.240 nan 0.000 0.517 715 L N 6.945 128.155 121.223 -0.022 0.000 2.294 715 L HA 0.364 4.703 4.340 -0.001 0.000 0.283 715 L C -2.210 174.612 176.870 -0.080 0.000 1.015 715 L CA -2.402 52.388 54.840 -0.083 0.000 0.831 715 L CB 1.318 43.253 42.059 -0.208 0.000 1.217 715 L HN 0.341 nan 8.230 nan 0.000 0.420 716 P HA 0.040 nan 4.420 nan 0.000 0.268 716 P C -2.440 174.870 177.300 0.016 0.000 1.208 716 P CA -0.861 62.250 63.100 0.017 0.000 0.777 716 P CB -0.193 31.541 31.700 0.057 0.000 0.875 717 P HA 0.081 nan 4.420 nan 0.000 0.276 717 P C 0.001 177.394 177.300 0.156 0.000 1.230 717 P CA -0.000 63.170 63.100 0.118 0.000 0.776 717 P CB 0.359 32.171 31.700 0.185 0.000 0.888 718 L N -0.139 121.130 121.223 0.077 0.000 3.965 718 L HA -0.220 4.119 4.340 -0.001 0.000 0.499 718 L C 0.285 177.139 176.870 -0.026 0.000 1.194 718 L CA 0.620 55.478 54.840 0.030 0.000 0.707 718 L CB -1.820 40.287 42.059 0.080 0.000 1.414 718 L HN 0.653 nan 8.230 nan 0.000 0.802 719 A N 0.128 122.895 122.820 -0.087 0.000 2.610 719 A HA 0.905 5.225 4.320 -0.001 0.000 0.291 719 A C -0.381 177.140 177.584 -0.106 0.000 1.086 719 A CA -0.383 51.618 52.037 -0.060 0.000 0.677 719 A CB 1.749 20.754 19.000 0.007 0.000 1.278 719 A HN 0.068 nan 8.150 nan 0.000 0.414 720 T N 1.571 116.113 114.554 -0.020 0.000 2.861 720 T HA 0.654 5.003 4.350 -0.001 0.000 0.287 720 T C -0.329 174.403 174.700 0.052 0.000 1.003 720 T CA -0.154 61.975 62.100 0.048 0.000 0.977 720 T CB 0.894 69.888 68.868 0.210 0.000 0.996 720 T HN 0.999 nan 8.240 nan 0.000 0.448 721 I N -1.204 119.421 120.570 0.091 0.000 2.646 721 I HA 0.802 4.971 4.170 -0.001 0.000 0.299 721 I C -1.619 174.682 176.117 0.307 0.000 1.036 721 I CA -1.072 60.285 61.300 0.096 0.000 1.074 721 I CB 1.931 39.968 38.000 0.061 0.000 1.258 721 I HN 0.462 nan 8.210 nan 0.000 0.430 722 W N 5.707 127.006 121.300 -0.002 0.000 2.529 722 W HA 0.633 5.293 4.660 -0.001 0.000 0.321 722 W C -1.090 175.443 176.519 0.023 0.000 1.047 722 W CA -1.108 56.228 57.345 -0.016 0.000 1.216 722 W CB 1.439 30.897 29.460 -0.002 0.000 1.357 722 W HN 0.211 nan 8.180 nan 0.000 0.489 723 L N 3.593 124.978 121.223 0.269 0.000 2.346 723 L HA 0.573 4.913 4.340 -0.001 0.000 0.276 723 L C -0.029 177.062 176.870 0.368 0.000 1.006 723 L CA -1.094 53.926 54.840 0.300 0.000 0.817 723 L CB 1.069 43.316 42.059 0.313 0.000 1.272 723 L HN 0.152 nan 8.230 nan 0.000 0.421 724 V N 3.773 123.845 119.914 0.263 0.000 2.850 724 V HA 0.558 4.678 4.120 -0.001 0.000 0.315 724 V C -0.036 175.940 176.094 -0.196 0.000 1.064 724 V CA -0.815 61.519 62.300 0.056 0.000 0.979 724 V CB 2.665 34.460 31.823 -0.047 0.000 1.039 724 V HN 0.869 nan 8.190 nan 0.000 0.452 725 R N 2.814 122.921 120.500 -0.656 0.000 2.346 725 R HA 0.427 4.766 4.340 -0.001 0.000 0.311 725 R C -0.429 175.553 176.300 -0.530 0.000 0.983 725 R CA -0.455 54.984 56.100 -1.101 0.000 0.880 725 R CB 1.012 30.408 30.300 -1.507 0.000 1.100 725 R HN 0.783 nan 8.270 nan 0.000 0.453 726 E N 2.116 122.063 120.200 -0.422 0.000 2.313 726 E HA 0.222 4.572 4.350 -0.001 0.000 0.276 726 E C -0.361 176.119 176.600 -0.199 0.000 1.031 726 E CA -0.494 55.772 56.400 -0.223 0.000 0.857 726 E CB 1.354 30.971 29.700 -0.137 0.000 1.040 726 E HN 0.653 nan 8.360 nan 0.000 0.408 727 A N 3.634 126.376 122.820 -0.129 0.000 2.483 727 A HA 0.010 4.330 4.320 -0.001 0.000 0.238 727 A C 0.371 177.910 177.584 -0.076 0.000 1.070 727 A CA -0.110 51.868 52.037 -0.099 0.000 0.770 727 A CB 0.317 19.278 19.000 -0.065 0.000 1.008 727 A HN 0.555 nan 8.150 nan 0.000 0.497 728 E N 0.000 120.161 120.200 -0.065 0.000 2.725 728 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 728 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 728 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440