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 3bp8_1_B DATA FIRST_RESID 12 DATA SEQUENCE QIKQTNAGAV YRLIDQLGPV SRIDLSRLAQ LAPASITKIV REMLEAHLVQ DATA SEQUENCE ELXXXXXXXX XXXXVGLVVE TEAWHYLSLR ISRGEIFLAL RDLSSKLVVE DATA SEQUENCE ESQELALKDD SPLLDRIISH IDQFFIRHQK KLERLTSIAI TLPGIIDTEN DATA SEQUENCE GIVHRMPFYE DVKEMPLGEA LEQHTGVPVY IQHDISAWTM AEALFGASRG DATA SEQUENCE ARDVIQVVID HNVGAGVITD GHLLHAGSSS LVEIGHTQVD PYGKRCYCGN DATA SEQUENCE HGCLETIASV DSILELAQLR LNQSMSSMLH GQPLTVDSLC QAALRGDLLA DATA SEQUENCE KDIITGVGAH VGRILAIMVN LFNPQKILIG SPLSKAADIL FPVISDSIRQ DATA SEQUENCE QALPAYSQHI SVESTQFSNX XXMAGAALVK DAMYNGSLLI RLLQG 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 12 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 12 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 13 I N 0.740 121.306 120.570 -0.006 0.000 2.716 13 I HA -0.064 4.124 4.170 0.031 0.000 0.259 13 I C 2.209 178.324 176.117 -0.003 0.000 1.172 13 I CA 1.028 62.325 61.300 -0.005 0.000 1.478 13 I CB -0.218 37.779 38.000 -0.004 0.000 1.104 13 I HN 0.464 nan 8.210 nan 0.000 0.439 14 K N 1.118 121.517 120.400 -0.003 0.000 2.097 14 K HA -0.249 4.090 4.320 0.031 0.000 0.205 14 K C 2.202 178.800 176.600 -0.003 0.000 1.050 14 K CA 1.529 57.816 56.287 -0.001 0.000 0.938 14 K CB -0.075 32.424 32.500 -0.001 0.000 0.718 14 K HN 0.432 nan 8.250 nan 0.000 0.442 15 Q N -0.168 119.628 119.800 -0.007 0.000 2.079 15 Q HA -0.143 4.216 4.340 0.031 0.000 0.200 15 Q C 1.850 177.846 176.000 -0.008 0.000 0.974 15 Q CA 1.876 57.672 55.803 -0.012 0.000 0.840 15 Q CB -0.134 28.594 28.738 -0.016 0.000 0.898 15 Q HN 0.266 nan 8.270 nan 0.000 0.430 16 T N -0.201 114.349 114.554 -0.006 0.000 3.023 16 T HA -0.074 4.294 4.350 0.031 0.000 0.266 16 T C 1.417 176.121 174.700 0.005 0.000 1.093 16 T CA 1.390 63.488 62.100 -0.003 0.000 1.129 16 T CB -0.144 68.717 68.868 -0.011 0.000 0.899 16 T HN 0.426 nan 8.240 nan 0.000 0.491 17 N N 0.144 118.847 118.700 0.006 0.000 2.368 17 N HA 0.251 5.009 4.740 0.031 0.000 0.176 17 N C 1.866 177.389 175.510 0.021 0.000 1.021 17 N CA 1.030 54.087 53.050 0.010 0.000 0.888 17 N CB -0.250 38.240 38.487 0.006 0.000 0.995 17 N HN 0.349 nan 8.380 nan 0.000 0.437 18 A N -0.272 122.560 122.820 0.019 0.000 1.874 18 A HA 0.176 4.514 4.320 0.031 0.000 0.214 18 A C 2.164 179.781 177.584 0.055 0.000 1.189 18 A CA 1.349 53.403 52.037 0.028 0.000 0.615 18 A CB -1.243 17.762 19.000 0.008 0.000 0.830 18 A HN 0.375 nan 8.150 nan 0.000 0.443 19 G N -0.880 107.946 108.800 0.043 0.000 2.534 19 G HA2 0.156 4.135 3.960 0.031 0.000 0.217 19 G HA3 0.156 4.135 3.960 0.031 0.000 0.217 19 G C 1.422 176.409 174.900 0.146 0.000 1.128 19 G CA 1.094 46.244 45.100 0.083 0.000 0.784 19 G HN 0.727 nan 8.290 nan 0.000 0.542 20 A N -0.076 122.796 122.820 0.086 0.000 2.072 20 A HA 0.310 4.648 4.320 0.031 0.000 0.216 20 A C 2.372 179.988 177.584 0.054 0.000 1.156 20 A CA 1.032 53.104 52.037 0.058 0.000 0.701 20 A CB -0.045 18.969 19.000 0.023 0.000 0.816 20 A HN 0.192 nan 8.150 nan 0.000 0.458 21 V N -1.668 118.291 119.914 0.074 0.000 2.591 21 V HA -0.178 3.961 4.120 0.031 0.000 0.249 21 V C 2.196 178.338 176.094 0.080 0.000 1.053 21 V CA 1.661 63.995 62.300 0.057 0.000 1.068 21 V CB -0.858 30.998 31.823 0.057 0.000 0.689 21 V HN 0.712 nan 8.190 nan 0.000 0.462 22 Y N 1.402 121.717 120.300 0.025 0.000 2.184 22 Y HA -0.155 4.414 4.550 0.030 0.000 0.290 22 Y C 2.781 178.726 175.900 0.076 0.000 1.129 22 Y CA 1.993 60.125 58.100 0.053 0.000 1.144 22 Y CB -0.172 38.327 38.460 0.066 0.000 0.995 22 Y HN 0.074 nan 8.280 nan 0.000 0.513 23 R N 0.497 121.146 120.500 0.249 0.000 2.139 23 R HA -0.217 4.141 4.340 0.031 0.000 0.243 23 R C 2.126 178.306 176.300 -0.201 0.000 1.145 23 R CA 1.851 57.908 56.100 -0.071 0.000 0.976 23 R CB -0.605 29.612 30.300 -0.138 0.000 0.866 23 R HN 0.592 nan 8.270 nan 0.000 0.449 24 L N 0.808 121.966 121.223 -0.108 0.000 2.034 24 L HA 0.075 4.433 4.340 0.031 0.000 0.203 24 L C 0.761 177.552 176.870 -0.132 0.000 1.074 24 L CA 0.862 55.636 54.840 -0.111 0.000 0.748 24 L CB 0.041 42.061 42.059 -0.065 0.000 0.905 24 L HN 0.118 nan 8.230 nan 0.000 0.439 25 I N 2.183 122.661 120.570 -0.154 0.000 2.472 25 I HA -0.015 4.174 4.170 0.031 0.000 0.305 25 I C 0.343 176.302 176.117 -0.263 0.000 1.196 25 I CA 0.811 62.001 61.300 -0.183 0.000 1.613 25 I CB -0.418 37.475 38.000 -0.179 0.000 1.501 25 I HN 0.491 nan 8.210 nan 0.000 0.754 26 D N 2.098 122.397 120.400 -0.169 0.000 3.793 26 D HA -0.164 4.494 4.640 0.031 0.000 0.463 26 D C 0.890 177.149 176.300 -0.069 0.000 0.429 26 D CA -0.108 53.818 54.000 -0.124 0.000 0.891 26 D CB -0.447 40.266 40.800 -0.145 0.000 1.503 26 D HN 0.445 nan 8.370 nan 0.000 0.205 27 Q N 0.042 119.785 119.800 -0.096 0.000 2.212 27 Q HA 0.196 4.554 4.340 0.031 0.000 0.199 27 Q C 0.313 176.275 176.000 -0.063 0.000 0.950 27 Q CA 0.784 56.536 55.803 -0.085 0.000 0.863 27 Q CB 0.940 29.604 28.738 -0.124 0.000 0.944 27 Q HN 0.274 nan 8.270 nan 0.000 0.465 28 L N -0.051 121.134 121.223 -0.063 0.000 2.568 28 L HA 0.532 4.890 4.340 0.031 0.000 0.262 28 L C -1.095 175.748 176.870 -0.045 0.000 0.980 28 L CA -0.309 54.503 54.840 -0.047 0.000 0.882 28 L CB 1.551 43.582 42.059 -0.046 0.000 1.198 28 L HN -0.066 nan 8.230 nan 0.000 0.425 29 G N 4.936 113.716 108.800 -0.033 0.000 2.417 29 G HA2 0.741 4.719 3.960 0.031 0.000 0.320 29 G HA3 0.741 4.719 3.960 0.031 0.000 0.320 29 G C -2.741 172.149 174.900 -0.017 0.000 1.204 29 G CA -0.842 44.241 45.100 -0.028 0.000 0.923 29 G HN 0.509 nan 8.290 nan 0.000 0.466 30 P HA 0.691 nan 4.420 nan 0.000 0.285 30 P C -0.875 176.412 177.300 -0.022 0.000 1.280 30 P CA -0.724 62.365 63.100 -0.019 0.000 0.862 30 P CB 2.085 33.779 31.700 -0.011 0.000 1.153 31 V N -1.848 118.051 119.914 -0.026 0.000 2.623 31 V HA 0.554 4.693 4.120 0.031 0.000 0.304 31 V C 0.164 176.246 176.094 -0.020 0.000 1.054 31 V CA -0.857 61.428 62.300 -0.025 0.000 0.882 31 V CB 0.880 32.683 31.823 -0.033 0.000 1.002 31 V HN 0.760 nan 8.190 nan 0.000 0.424 32 S N 3.704 119.394 115.700 -0.015 0.000 2.614 32 S HA 0.403 4.892 4.470 0.031 0.000 0.265 32 S C 0.893 175.486 174.600 -0.011 0.000 1.303 32 S CA -0.527 57.666 58.200 -0.011 0.000 1.000 32 S CB 0.864 64.059 63.200 -0.009 0.000 0.935 32 S HN 0.780 nan 8.310 nan 0.000 0.551 33 R N 0.014 120.510 120.500 -0.007 0.000 2.316 33 R HA -0.063 4.296 4.340 0.031 0.000 0.232 33 R C 1.260 177.557 176.300 -0.006 0.000 1.137 33 R CA 0.938 57.035 56.100 -0.005 0.000 1.012 33 R CB -0.579 29.719 30.300 -0.003 0.000 0.859 33 R HN 0.610 nan 8.270 nan 0.000 0.474 34 I N 0.318 120.884 120.570 -0.007 0.000 2.494 34 I HA -0.112 4.076 4.170 0.031 0.000 0.250 34 I C 1.248 177.360 176.117 -0.009 0.000 1.112 34 I CA 1.110 62.406 61.300 -0.007 0.000 1.438 34 I CB -0.858 37.138 38.000 -0.007 0.000 1.111 34 I HN -0.006 nan 8.210 nan 0.000 0.431 35 D N 1.192 121.585 120.400 -0.012 0.000 2.219 35 D HA -0.075 4.583 4.640 0.031 0.000 0.205 35 D C 2.415 178.705 176.300 -0.017 0.000 0.970 35 D CA 0.823 54.814 54.000 -0.015 0.000 0.851 35 D CB -0.082 40.707 40.800 -0.019 0.000 0.943 35 D HN 0.264 nan 8.370 nan 0.000 0.488 36 L N 0.156 121.370 121.223 -0.015 0.000 2.109 36 L HA -0.075 4.283 4.340 0.031 0.000 0.207 36 L C 2.285 179.149 176.870 -0.009 0.000 1.086 36 L CA 0.766 55.598 54.840 -0.013 0.000 0.760 36 L CB -0.258 41.795 42.059 -0.010 0.000 0.910 36 L HN -0.055 nan 8.230 nan 0.000 0.437 37 S N -0.507 115.189 115.700 -0.007 0.000 2.371 37 S HA -0.143 4.345 4.470 0.031 0.000 0.224 37 S C 1.982 176.578 174.600 -0.007 0.000 1.029 37 S CA 1.061 59.258 58.200 -0.005 0.000 0.978 37 S CB -0.145 63.053 63.200 -0.004 0.000 0.833 37 S HN 0.335 nan 8.310 nan 0.000 0.466 38 R N 0.979 121.474 120.500 -0.009 0.000 2.052 38 R HA 0.160 4.519 4.340 0.031 0.000 0.224 38 R C 2.396 178.688 176.300 -0.012 0.000 1.165 38 R CA 0.954 57.048 56.100 -0.010 0.000 0.939 38 R CB -0.605 29.689 30.300 -0.010 0.000 0.834 38 R HN 0.361 nan 8.270 nan 0.000 0.435 39 L N 0.398 121.612 121.223 -0.015 0.000 2.191 39 L HA -0.048 4.310 4.340 0.031 0.000 0.212 39 L C 1.644 178.504 176.870 -0.018 0.000 1.103 39 L CA 1.601 56.430 54.840 -0.018 0.000 0.769 39 L CB -0.105 41.939 42.059 -0.024 0.000 0.908 39 L HN 0.398 nan 8.230 nan 0.000 0.438 40 A N -1.816 120.995 122.820 -0.015 0.000 2.348 40 A HA 0.125 4.463 4.320 0.031 0.000 0.224 40 A C 0.298 177.877 177.584 -0.009 0.000 1.227 40 A CA -0.257 51.772 52.037 -0.013 0.000 0.885 40 A CB 0.182 19.175 19.000 -0.011 0.000 0.933 40 A HN 0.497 nan 8.150 nan 0.000 0.506 41 Q N -0.721 119.073 119.800 -0.009 0.000 2.438 41 Q HA -0.146 4.212 4.340 0.031 0.000 0.356 41 Q C -1.152 174.845 176.000 -0.005 0.000 1.438 41 Q CA 1.001 56.800 55.803 -0.007 0.000 0.973 41 Q CB -1.746 26.988 28.738 -0.007 0.000 1.151 41 Q HN 0.675 nan 8.270 nan 0.000 0.328 42 L N -0.563 120.658 121.223 -0.004 0.000 2.545 42 L HA 0.775 5.134 4.340 0.031 0.000 0.258 42 L C 0.098 176.967 176.870 -0.001 0.000 0.942 42 L CA -0.729 54.111 54.840 -0.002 0.000 0.855 42 L CB 1.860 43.919 42.059 0.000 0.000 1.374 42 L HN 0.391 nan 8.230 nan 0.000 0.411 43 A N 2.319 125.139 122.820 -0.001 0.000 2.313 43 A HA 0.550 4.889 4.320 0.031 0.000 0.261 43 A C -1.937 175.648 177.584 0.000 0.000 1.090 43 A CA -1.102 50.935 52.037 -0.001 0.000 0.807 43 A CB -0.058 18.942 19.000 -0.000 0.000 1.055 43 A HN 0.626 nan 8.150 nan 0.000 0.492 44 P HA -0.107 nan 4.420 nan 0.000 0.226 44 P C 1.071 178.372 177.300 0.002 0.000 1.146 44 P CA 1.834 64.934 63.100 0.001 0.000 0.773 44 P CB 0.230 31.930 31.700 0.000 0.000 0.772 45 A N -0.550 122.271 122.820 0.002 0.000 1.901 45 A HA 0.018 4.357 4.320 0.031 0.000 0.210 45 A C 1.765 179.351 177.584 0.004 0.000 1.208 45 A CA 1.152 53.191 52.037 0.003 0.000 0.644 45 A CB -0.746 18.255 19.000 0.003 0.000 0.863 45 A HN 0.245 nan 8.150 nan 0.000 0.454 46 S N -1.424 114.279 115.700 0.004 0.000 2.526 46 S HA 0.472 4.960 4.470 0.031 0.000 0.247 46 S C 0.339 174.943 174.600 0.007 0.000 1.076 46 S CA 0.174 58.377 58.200 0.005 0.000 1.105 46 S CB 0.239 63.441 63.200 0.004 0.000 0.793 46 S HN 0.446 nan 8.310 nan 0.000 0.458 47 I N -0.735 119.839 120.570 0.007 0.000 5.242 47 I HA 0.157 4.345 4.170 0.031 0.000 0.360 47 I C 1.219 177.340 176.117 0.007 0.000 1.201 47 I CA 0.625 61.929 61.300 0.007 0.000 1.527 47 I CB 0.128 38.130 38.000 0.003 0.000 1.769 47 I HN 0.228 nan 8.210 nan 0.000 0.603 48 T N 0.062 114.620 114.554 0.006 0.000 3.021 48 T HA 0.035 4.403 4.350 0.031 0.000 0.245 48 T C 1.691 176.395 174.700 0.008 0.000 1.028 48 T CA 1.011 63.114 62.100 0.005 0.000 1.139 48 T CB 0.072 68.942 68.868 0.004 0.000 0.884 48 T HN 0.143 nan 8.240 nan 0.000 0.457 49 K N 1.037 121.442 120.400 0.008 0.000 2.288 49 K HA 0.170 4.509 4.320 0.031 0.000 0.201 49 K C 2.121 178.729 176.600 0.013 0.000 1.048 49 K CA 0.536 56.829 56.287 0.010 0.000 0.956 49 K CB -0.146 32.359 32.500 0.009 0.000 0.746 49 K HN 0.299 nan 8.250 nan 0.000 0.461 50 I N 0.417 120.997 120.570 0.016 0.000 2.546 50 I HA -0.171 4.017 4.170 0.031 0.000 0.255 50 I C 1.297 177.432 176.117 0.030 0.000 1.163 50 I CA 0.623 61.936 61.300 0.022 0.000 1.457 50 I CB 0.348 38.362 38.000 0.024 0.000 1.092 50 I HN -0.025 nan 8.210 nan 0.000 0.434 51 V N 0.746 120.675 119.914 0.025 0.000 2.725 51 V HA -0.101 4.037 4.120 0.031 0.000 0.247 51 V C 2.468 178.573 176.094 0.018 0.000 1.058 51 V CA 1.248 63.565 62.300 0.027 0.000 1.080 51 V CB -0.692 31.141 31.823 0.017 0.000 0.713 51 V HN 0.407 nan 8.190 nan 0.000 0.465 52 R N 0.629 121.136 120.500 0.012 0.000 2.117 52 R HA -0.237 4.121 4.340 0.031 0.000 0.243 52 R C 2.162 178.465 176.300 0.006 0.000 1.143 52 R CA 2.166 58.269 56.100 0.005 0.000 0.968 52 R CB -0.126 30.178 30.300 0.007 0.000 0.863 52 R HN 0.601 nan 8.270 nan 0.000 0.444 53 E N -0.567 119.643 120.200 0.016 0.000 2.442 53 E HA -0.036 4.332 4.350 0.031 0.000 0.195 53 E C 1.659 178.279 176.600 0.033 0.000 1.030 53 E CA 0.270 56.684 56.400 0.024 0.000 0.869 53 E CB 0.229 29.944 29.700 0.025 0.000 0.857 53 E HN 0.428 nan 8.360 nan 0.000 0.505 54 M N -0.143 119.479 119.600 0.036 0.000 2.476 54 M HA 0.029 4.528 4.480 0.031 0.000 0.262 54 M C 1.925 178.247 176.300 0.038 0.000 1.111 54 M CA 0.494 55.831 55.300 0.061 0.000 1.127 54 M CB 0.288 32.944 32.600 0.095 0.000 1.376 54 M HN 0.149 nan 8.290 nan 0.000 0.465 55 L N -0.142 121.072 121.223 -0.015 0.000 2.095 55 L HA -0.107 4.251 4.340 0.031 0.000 0.204 55 L C 2.225 178.951 176.870 -0.242 0.000 1.080 55 L CA 1.079 55.857 54.840 -0.104 0.000 0.759 55 L CB -0.367 41.648 42.059 -0.075 0.000 0.914 55 L HN 0.308 nan 8.230 nan 0.000 0.439 56 E N 0.123 120.259 120.200 -0.106 0.000 2.478 56 E HA -0.117 4.251 4.350 0.031 0.000 0.198 56 E C 1.501 178.146 176.600 0.074 0.000 1.046 56 E CA 0.675 57.043 56.400 -0.054 0.000 0.870 56 E CB 0.228 29.938 29.700 0.017 0.000 0.818 56 E HN 0.443 nan 8.360 nan 0.000 0.527 57 A N -0.533 122.353 122.820 0.110 0.000 2.469 57 A HA 0.154 4.493 4.320 0.031 0.000 0.245 57 A C -0.387 177.525 177.584 0.547 0.000 1.221 57 A CA -0.035 52.199 52.037 0.329 0.000 0.946 57 A CB -0.061 19.074 19.000 0.225 0.000 1.049 57 A HN 0.433 nan 8.150 nan 0.000 0.529 58 H N -1.258 117.954 119.070 0.237 0.000 2.748 58 H HA -0.136 4.439 4.556 0.031 0.000 0.322 58 H C 0.503 176.111 175.328 0.467 0.000 1.208 58 H CA 0.917 57.132 56.048 0.278 0.000 1.151 58 H CB -2.272 27.607 29.762 0.196 0.000 1.505 58 H HN 0.441 nan 8.280 nan 0.000 0.429 59 L N -0.836 120.619 121.223 0.387 0.000 2.556 59 L HA 0.222 4.581 4.340 0.031 0.000 0.226 59 L C 0.875 177.947 176.870 0.337 0.000 1.089 59 L CA 0.481 55.522 54.840 0.335 0.000 0.864 59 L CB 0.537 42.686 42.059 0.150 0.000 1.067 59 L HN 0.320 nan 8.230 nan 0.000 0.477 60 V N -4.001 116.046 119.914 0.223 0.000 3.158 60 V HA 0.553 4.692 4.120 0.031 0.000 0.311 60 V C -1.011 175.140 176.094 0.096 0.000 1.181 60 V CA -0.819 61.551 62.300 0.118 0.000 1.054 60 V CB 1.955 33.812 31.823 0.058 0.000 1.085 60 V HN 0.003 nan 8.190 nan 0.000 0.446 61 Q N 0.049 119.884 119.800 0.058 0.000 2.387 61 Q HA 0.571 4.930 4.340 0.031 0.000 0.273 61 Q C -1.273 174.742 176.000 0.025 0.000 1.089 61 Q CA -0.718 55.116 55.803 0.052 0.000 0.824 61 Q CB 2.708 31.483 28.738 0.061 0.000 1.367 61 Q HN 0.891 nan 8.270 nan 0.000 0.443 62 E N 1.482 121.696 120.200 0.023 0.000 2.313 62 E HA 0.405 4.774 4.350 0.031 0.000 0.272 62 E C -0.662 175.947 176.600 0.014 0.000 1.038 62 E CA -0.116 56.291 56.400 0.013 0.000 0.863 62 E CB 0.456 30.163 29.700 0.012 0.000 1.060 62 E HN 0.542 nan 8.360 nan 0.000 0.402 77 G N 0.492 109.289 108.800 -0.005 0.000 2.341 77 G HA2 0.497 4.475 3.960 0.031 0.000 0.300 77 G HA3 0.497 4.475 3.960 0.031 0.000 0.300 77 G C -1.957 172.939 174.900 -0.008 0.000 1.706 77 G CA -0.569 44.526 45.100 -0.007 0.000 0.916 77 G HN 0.248 nan 8.290 nan 0.000 0.716 78 L N 2.026 123.241 121.223 -0.014 0.000 2.406 78 L HA 0.725 5.083 4.340 0.031 0.000 0.272 78 L C 0.213 177.067 176.870 -0.026 0.000 0.980 78 L CA -1.050 53.781 54.840 -0.016 0.000 0.831 78 L CB 1.841 43.889 42.059 -0.018 0.000 1.253 78 L HN 0.564 nan 8.230 nan 0.000 0.406 79 V N 4.030 123.935 119.914 -0.016 0.000 3.369 79 V HA 0.562 4.701 4.120 0.031 0.000 0.301 79 V C -0.745 175.334 176.094 -0.025 0.000 1.184 79 V CA -0.487 61.800 62.300 -0.021 0.000 1.013 79 V CB 2.790 34.613 31.823 0.000 0.000 1.230 79 V HN 0.393 nan 8.190 nan 0.000 0.464 80 V N 1.219 121.121 119.914 -0.019 0.000 2.667 80 V HA 0.568 4.707 4.120 0.031 0.000 0.308 80 V C -0.382 175.766 176.094 0.090 0.000 1.048 80 V CA -0.429 61.870 62.300 -0.001 0.000 0.928 80 V CB 1.767 33.544 31.823 -0.075 0.000 1.004 80 V HN 0.989 nan 8.190 nan 0.000 0.444 81 E N 3.262 123.565 120.200 0.172 0.000 2.073 81 E HA 0.476 4.844 4.350 0.031 0.000 0.269 81 E C -0.860 175.940 176.600 0.334 0.000 0.917 81 E CA -0.384 56.154 56.400 0.231 0.000 0.757 81 E CB 0.998 30.864 29.700 0.276 0.000 1.111 81 E HN 0.842 nan 8.360 nan 0.000 0.410 82 T N 1.260 115.967 114.554 0.256 0.000 3.209 82 T HA 0.319 4.688 4.350 0.031 0.000 0.366 82 T C 0.101 174.906 174.700 0.176 0.000 1.293 82 T CA -0.681 61.593 62.100 0.290 0.000 1.417 82 T CB 0.912 69.919 68.868 0.231 0.000 1.013 82 T HN 0.593 nan 8.240 nan 0.000 0.572 83 E N 1.435 121.700 120.200 0.108 0.000 2.820 83 E HA 0.322 4.691 4.350 0.031 0.000 0.210 83 E C 1.803 178.293 176.600 -0.183 0.000 1.005 83 E CA 0.417 56.819 56.400 0.003 0.000 1.678 83 E CB -0.135 29.585 29.700 0.034 0.000 2.013 83 E HN 0.533 nan 8.360 nan 0.000 1.011 84 A N 0.497 123.178 122.820 -0.231 0.000 2.169 84 A HA 0.077 4.415 4.320 0.031 0.000 0.212 84 A C -0.020 177.210 177.584 -0.589 0.000 1.153 84 A CA -0.036 51.760 52.037 -0.401 0.000 0.756 84 A CB -0.373 18.354 19.000 -0.454 0.000 0.813 84 A HN 0.236 nan 8.150 nan 0.000 0.471 85 W N 0.183 121.301 121.300 -0.304 0.000 2.390 85 W HA 0.576 5.254 4.660 0.029 0.000 0.312 85 W C 0.220 176.510 176.519 -0.381 0.000 1.123 85 W CA -0.276 56.947 57.345 -0.203 0.000 1.202 85 W CB 0.691 30.132 29.460 -0.032 0.000 1.251 85 W HN 0.173 nan 8.180 nan 0.000 0.511 86 H N 1.337 120.623 119.070 0.360 0.000 2.949 86 H HA 0.394 4.970 4.556 0.034 0.000 0.356 86 H C -1.259 174.280 175.328 0.352 0.000 1.212 86 H CA -1.063 55.142 56.048 0.262 0.000 1.136 86 H CB 2.345 32.203 29.762 0.160 0.000 1.869 86 H HN 0.517 nan 8.280 nan 0.000 0.556 87 Y N -0.476 120.038 120.300 0.357 0.000 2.552 87 Y HA 0.405 4.974 4.550 0.032 0.000 0.337 87 Y C -1.992 174.063 175.900 0.259 0.000 1.094 87 Y CA -1.217 57.049 58.100 0.276 0.000 1.028 87 Y CB 1.204 39.798 38.460 0.223 0.000 1.321 87 Y HN 0.381 nan 8.280 nan 0.000 0.456 88 L N 4.814 126.289 121.223 0.419 0.000 2.276 88 L HA 0.616 4.974 4.340 0.031 0.000 0.286 88 L C -0.484 176.547 176.870 0.268 0.000 1.061 88 L CA 0.188 55.177 54.840 0.248 0.000 0.807 88 L CB 0.886 43.091 42.059 0.244 0.000 1.177 88 L HN 0.982 nan 8.230 nan 0.000 0.429 89 S N 5.765 121.534 115.700 0.116 0.000 2.513 89 S HA 0.873 5.362 4.470 0.031 0.000 0.299 89 S C -0.730 173.866 174.600 -0.006 0.000 1.087 89 S CA -0.795 57.505 58.200 0.168 0.000 1.012 89 S CB 2.208 65.581 63.200 0.288 0.000 1.044 89 S HN 0.526 nan 8.310 nan 0.000 0.485 90 L N -0.737 120.494 121.223 0.013 0.000 2.518 90 L HA 0.803 5.162 4.340 0.031 0.000 0.257 90 L C -0.820 176.061 176.870 0.019 0.000 0.980 90 L CA -1.064 53.754 54.840 -0.036 0.000 0.837 90 L CB 1.978 43.975 42.059 -0.104 0.000 1.410 90 L HN 0.900 nan 8.230 nan 0.000 0.410 91 R N 2.359 122.896 120.500 0.061 0.000 2.561 91 R HA 0.728 5.086 4.340 0.031 0.000 0.297 91 R C -1.616 174.783 176.300 0.164 0.000 0.969 91 R CA -0.720 55.433 56.100 0.089 0.000 0.879 91 R CB 1.666 31.980 30.300 0.022 0.000 1.178 91 R HN 0.768 nan 8.270 nan 0.000 0.445 92 I N 4.593 125.211 120.570 0.081 0.000 2.330 92 I HA 0.145 4.333 4.170 0.031 0.000 0.286 92 I C 0.784 176.969 176.117 0.113 0.000 1.025 92 I CA -0.139 61.194 61.300 0.054 0.000 1.197 92 I CB 0.876 38.853 38.000 -0.039 0.000 1.358 92 I HN 0.744 nan 8.210 nan 0.000 0.467 93 S N 6.718 122.530 115.700 0.186 0.000 2.646 93 S HA 0.330 4.818 4.470 0.031 0.000 0.273 93 S C 1.252 175.895 174.600 0.072 0.000 1.168 93 S CA -0.518 57.781 58.200 0.164 0.000 1.013 93 S CB 1.100 64.482 63.200 0.302 0.000 1.098 93 S HN 0.674 nan 8.310 nan 0.000 0.544 94 R N -0.282 120.153 120.500 -0.108 0.000 2.303 94 R HA 0.006 4.365 4.340 0.031 0.000 0.225 94 R C 0.971 177.108 176.300 -0.270 0.000 1.114 94 R CA 1.267 57.068 56.100 -0.499 0.000 1.007 94 R CB -0.765 28.946 30.300 -0.982 0.000 0.861 94 R HN 0.913 nan 8.270 nan 0.000 0.471 95 G N -0.691 108.053 108.800 -0.094 0.000 4.983 95 G HA2 0.062 4.040 3.960 0.031 0.000 0.209 95 G HA3 0.062 4.040 3.960 0.031 0.000 0.209 95 G C -1.060 173.788 174.900 -0.087 0.000 0.863 95 G CA -0.541 44.516 45.100 -0.071 0.000 0.793 95 G HN 0.267 nan 8.290 nan 0.000 0.341 96 E N -0.091 120.037 120.200 -0.119 0.000 2.343 96 E HA 0.472 4.840 4.350 0.031 0.000 0.278 96 E C -1.649 174.660 176.600 -0.486 0.000 0.910 96 E CA -0.959 55.220 56.400 -0.369 0.000 0.757 96 E CB 2.996 32.353 29.700 -0.570 0.000 1.218 96 E HN 0.094 nan 8.360 nan 0.000 0.435 97 I N 2.875 123.085 120.570 -0.600 0.000 2.337 97 I HA 0.313 4.501 4.170 0.031 0.000 0.285 97 I C -1.619 174.163 176.117 -0.558 0.000 1.041 97 I CA -0.310 60.695 61.300 -0.493 0.000 1.199 97 I CB -0.145 37.526 38.000 -0.548 0.000 1.370 97 I HN 0.305 nan 8.210 nan 0.000 0.470 98 F N 7.279 127.106 119.950 -0.205 0.000 2.404 98 F HA 0.566 5.131 4.527 0.063 0.000 0.345 98 F C -0.156 175.476 175.800 -0.280 0.000 1.110 98 F CA -0.467 57.408 58.000 -0.208 0.000 1.130 98 F CB 0.691 39.593 39.000 -0.163 0.000 1.129 98 F HN 0.206 nan 8.300 nan 0.000 0.500 99 L N 2.695 123.774 121.223 -0.240 0.000 2.341 99 L HA 0.955 5.313 4.340 0.031 0.000 0.267 99 L C -0.570 175.943 176.870 -0.594 0.000 1.009 99 L CA -0.732 53.752 54.840 -0.593 0.000 0.819 99 L CB 2.200 43.550 42.059 -1.181 0.000 1.323 99 L HN 0.818 nan 8.230 nan 0.000 0.425 100 A N 2.480 124.965 122.820 -0.559 0.000 2.590 100 A HA 0.675 5.014 4.320 0.031 0.000 0.296 100 A C -1.875 175.651 177.584 -0.096 0.000 1.050 100 A CA -0.487 51.428 52.037 -0.203 0.000 0.697 100 A CB 1.016 19.952 19.000 -0.107 0.000 1.277 100 A HN 0.531 nan 8.150 nan 0.000 0.411 101 L N 2.175 123.428 121.223 0.050 0.000 2.325 101 L HA 0.747 5.105 4.340 0.031 0.000 0.278 101 L C 0.140 176.925 176.870 -0.142 0.000 1.023 101 L CA -0.794 54.037 54.840 -0.015 0.000 0.811 101 L CB 1.558 43.654 42.059 0.061 0.000 1.249 101 L HN 0.780 nan 8.230 nan 0.000 0.431 102 R N 1.034 121.342 120.500 -0.321 0.000 2.774 102 R HA 0.453 4.811 4.340 0.031 0.000 0.272 102 R C -1.540 174.748 176.300 -0.020 0.000 1.000 102 R CA -1.089 54.848 56.100 -0.271 0.000 0.906 102 R CB 1.809 31.778 30.300 -0.552 0.000 1.227 102 R HN 0.499 nan 8.270 nan 0.000 0.468 103 D N 0.383 120.871 120.400 0.147 0.000 2.411 103 D HA 0.203 4.861 4.640 0.031 0.000 0.251 103 D C 1.343 177.829 176.300 0.310 0.000 1.201 103 D CA -0.458 53.665 54.000 0.205 0.000 0.996 103 D CB 0.838 41.733 40.800 0.157 0.000 1.101 103 D HN 0.281 nan 8.370 nan 0.000 0.504 104 L N 0.289 121.692 121.223 0.299 0.000 2.551 104 L HA -0.062 4.296 4.340 0.031 0.000 0.228 104 L C 1.633 178.645 176.870 0.238 0.000 1.153 104 L CA 0.601 55.612 54.840 0.285 0.000 0.851 104 L CB -0.347 41.826 42.059 0.189 0.000 0.959 104 L HN 0.343 nan 8.230 nan 0.000 0.451 105 S N -2.675 113.156 115.700 0.219 0.000 2.593 105 S HA 0.034 4.522 4.470 0.031 0.000 0.217 105 S C 1.055 175.773 174.600 0.197 0.000 0.966 105 S CA 0.293 58.602 58.200 0.182 0.000 0.914 105 S CB 0.340 63.627 63.200 0.145 0.000 0.776 105 S HN 0.341 nan 8.310 nan 0.000 0.523 106 S N 0.054 115.905 115.700 0.252 0.000 3.171 106 S HA -0.167 4.321 4.470 0.031 0.000 0.279 106 S C 0.242 174.935 174.600 0.154 0.000 1.294 106 S CA 1.032 59.393 58.200 0.268 0.000 1.077 106 S CB -1.721 61.648 63.200 0.280 0.000 1.298 106 S HN 0.854 nan 8.310 nan 0.000 0.666 107 K N 0.849 121.321 120.400 0.119 0.000 2.230 107 K HA 0.440 4.779 4.320 0.031 0.000 0.253 107 K C 0.089 176.714 176.600 0.041 0.000 1.008 107 K CA -0.261 56.066 56.287 0.067 0.000 0.910 107 K CB 0.332 32.878 32.500 0.076 0.000 0.994 107 K HN 0.358 nan 8.250 nan 0.000 0.495 108 L N 3.663 124.895 121.223 0.014 0.000 2.295 108 L HA 0.174 4.533 4.340 0.031 0.000 0.285 108 L C 0.415 177.285 176.870 -0.001 0.000 1.035 108 L CA -0.543 54.292 54.840 -0.007 0.000 0.806 108 L CB 1.613 43.659 42.059 -0.021 0.000 1.214 108 L HN 0.595 nan 8.230 nan 0.000 0.426 109 V N 4.654 124.556 119.914 -0.019 0.000 2.627 109 V HA 0.153 4.291 4.120 0.031 0.000 0.239 109 V C -0.034 176.012 176.094 -0.080 0.000 1.077 109 V CA 0.766 63.042 62.300 -0.041 0.000 1.103 109 V CB 1.293 33.057 31.823 -0.099 0.000 0.802 109 V HN 0.641 nan 8.190 nan 0.000 0.482 110 V N -0.562 119.299 119.914 -0.089 0.000 3.077 110 V HA 0.726 4.864 4.120 0.031 0.000 0.299 110 V C -1.525 174.576 176.094 0.012 0.000 1.276 110 V CA -0.848 61.363 62.300 -0.148 0.000 0.993 110 V CB 1.987 33.501 31.823 -0.515 0.000 1.076 110 V HN 0.602 nan 8.190 nan 0.000 0.434 111 E N 1.447 121.658 120.200 0.018 0.000 2.293 111 E HA 0.743 5.111 4.350 0.031 0.000 0.270 111 E C -0.837 175.851 176.600 0.147 0.000 0.879 111 E CA -0.761 55.682 56.400 0.073 0.000 0.756 111 E CB 3.311 33.016 29.700 0.009 0.000 1.208 111 E HN 0.852 nan 8.360 nan 0.000 0.428 112 E N 0.858 121.128 120.200 0.115 0.000 2.405 112 E HA 0.374 4.742 4.350 0.031 0.000 0.249 112 E C -0.640 175.978 176.600 0.031 0.000 1.028 112 E CA -0.760 55.721 56.400 0.137 0.000 0.897 112 E CB 1.691 31.470 29.700 0.131 0.000 1.262 112 E HN 0.428 nan 8.360 nan 0.000 0.442 113 S N 0.288 115.985 115.700 -0.006 0.000 3.078 113 S HA 0.081 4.569 4.470 0.031 0.000 0.248 113 S C -0.973 173.532 174.600 -0.158 0.000 0.857 113 S CA -0.469 57.681 58.200 -0.082 0.000 1.139 113 S CB 0.222 63.413 63.200 -0.015 0.000 1.186 113 S HN 0.399 nan 8.310 nan 0.000 0.567 114 Q N 2.198 121.907 119.800 -0.151 0.000 2.330 114 Q HA 0.109 4.468 4.340 0.031 0.000 0.279 114 Q C 0.223 176.073 176.000 -0.249 0.000 1.024 114 Q CA 0.566 56.295 55.803 -0.124 0.000 0.900 114 Q CB 0.685 29.415 28.738 -0.014 0.000 1.221 114 Q HN 0.658 nan 8.270 nan 0.000 0.396 115 E N 1.375 121.493 120.200 -0.137 0.000 2.374 115 E HA 0.039 4.408 4.350 0.031 0.000 0.260 115 E C -0.022 176.496 176.600 -0.136 0.000 1.101 115 E CA -0.249 56.059 56.400 -0.154 0.000 0.907 115 E CB 0.659 30.316 29.700 -0.073 0.000 1.014 115 E HN 0.439 nan 8.360 nan 0.000 0.427 116 L N 3.466 124.610 121.223 -0.131 0.000 2.586 116 L HA 0.443 4.801 4.340 0.031 0.000 0.204 116 L C 0.168 177.070 176.870 0.052 0.000 1.053 116 L CA 1.516 56.321 54.840 -0.057 0.000 0.856 116 L CB -0.357 41.645 42.059 -0.095 0.000 1.192 116 L HN 0.849 nan 8.230 nan 0.000 0.484 117 A N -1.585 121.241 122.820 0.010 0.000 6.325 117 A HA -0.205 4.133 4.320 0.031 0.000 0.352 117 A C 0.371 177.963 177.584 0.014 0.000 1.933 117 A CA 0.875 52.911 52.037 -0.001 0.000 0.613 117 A CB -1.572 17.437 19.000 0.014 0.000 1.856 117 A HN 0.274 nan 8.150 nan 0.000 0.410 118 L N -0.375 120.817 121.223 -0.051 0.000 2.488 118 L HA 0.400 4.758 4.340 0.031 0.000 0.186 118 L C 1.350 178.224 176.870 0.008 0.000 1.124 118 L CA 1.892 56.659 54.840 -0.122 0.000 0.838 118 L CB -0.374 41.556 42.059 -0.214 0.000 1.107 118 L HN 0.770 nan 8.230 nan 0.000 0.494 119 K N -0.024 120.375 120.400 -0.002 0.000 2.130 119 K HA 0.395 4.733 4.320 0.031 0.000 0.268 119 K C -1.342 175.275 176.600 0.029 0.000 0.983 119 K CA -0.290 56.011 56.287 0.022 0.000 0.893 119 K CB 1.296 33.798 32.500 0.003 0.000 1.066 119 K HN 0.057 nan 8.250 nan 0.000 0.450 120 D N 0.605 121.027 120.400 0.036 0.000 2.677 120 D HA 0.158 4.816 4.640 0.031 0.000 0.298 120 D C -0.023 176.290 176.300 0.021 0.000 1.250 120 D CA -0.400 53.617 54.000 0.027 0.000 0.888 120 D CB 1.406 42.228 40.800 0.037 0.000 1.397 120 D HN 0.499 nan 8.370 nan 0.000 0.461 121 D N -0.464 119.943 120.400 0.012 0.000 2.084 121 D HA -0.041 4.617 4.640 0.031 0.000 0.196 121 D C 0.602 176.908 176.300 0.010 0.000 0.985 121 D CA 1.088 55.093 54.000 0.008 0.000 0.826 121 D CB -0.249 40.552 40.800 0.002 0.000 0.978 121 D HN 0.362 nan 8.370 nan 0.000 0.456 122 S N 0.845 116.550 115.700 0.008 0.000 2.632 122 S HA 0.359 4.847 4.470 0.031 0.000 0.271 122 S C -2.178 172.433 174.600 0.019 0.000 1.260 122 S CA -1.346 56.858 58.200 0.007 0.000 1.010 122 S CB 1.957 65.155 63.200 -0.003 0.000 0.965 122 S HN -0.204 nan 8.310 nan 0.000 0.534 123 P HA 0.085 nan 4.420 nan 0.000 0.286 123 P C 0.947 178.267 177.300 0.033 0.000 1.394 123 P CA -0.269 62.848 63.100 0.027 0.000 0.763 123 P CB 0.168 31.877 31.700 0.016 0.000 1.632 124 L N -2.138 119.093 121.223 0.014 0.000 2.588 124 L HA 0.285 4.644 4.340 0.031 0.000 0.194 124 L C 2.153 179.004 176.870 -0.033 0.000 1.070 124 L CA 0.763 55.598 54.840 -0.008 0.000 0.852 124 L CB -1.299 40.717 42.059 -0.071 0.000 1.199 124 L HN -0.001 nan 8.230 nan 0.000 0.486 125 L N 0.007 121.205 121.223 -0.042 0.000 2.051 125 L HA -0.282 4.076 4.340 0.031 0.000 0.214 125 L C 1.745 178.587 176.870 -0.047 0.000 1.076 125 L CA 2.209 57.021 54.840 -0.047 0.000 0.758 125 L CB -0.408 41.628 42.059 -0.038 0.000 0.890 125 L HN 0.367 nan 8.230 nan 0.000 0.433 126 D N -0.936 119.442 120.400 -0.038 0.000 2.183 126 D HA -0.158 4.500 4.640 0.031 0.000 0.203 126 D C 2.201 178.474 176.300 -0.045 0.000 0.969 126 D CA 0.785 54.755 54.000 -0.050 0.000 0.842 126 D CB -0.103 40.677 40.800 -0.034 0.000 0.957 126 D HN 0.365 nan 8.370 nan 0.000 0.484 127 R N 0.493 120.984 120.500 -0.015 0.000 2.066 127 R HA -0.023 4.335 4.340 0.031 0.000 0.232 127 R C 2.436 178.779 176.300 0.072 0.000 1.131 127 R CA 0.647 56.752 56.100 0.008 0.000 0.955 127 R CB -0.195 30.139 30.300 0.056 0.000 0.851 127 R HN 0.145 nan 8.270 nan 0.000 0.432 128 I N 0.742 121.351 120.570 0.064 0.000 2.264 128 I HA -0.318 3.870 4.170 0.031 0.000 0.248 128 I C 2.211 178.351 176.117 0.038 0.000 1.111 128 I CA 1.317 62.659 61.300 0.069 0.000 1.382 128 I CB -0.288 37.698 38.000 -0.024 0.000 1.060 128 I HN 0.228 nan 8.210 nan 0.000 0.418 129 I N 0.156 120.702 120.570 -0.040 0.000 2.179 129 I HA -0.266 3.923 4.170 0.031 0.000 0.242 129 I C 2.652 178.730 176.117 -0.065 0.000 1.088 129 I CA 1.308 62.539 61.300 -0.114 0.000 1.357 129 I CB -0.411 37.423 38.000 -0.277 0.000 1.051 129 I HN 0.139 nan 8.210 nan 0.000 0.409 130 S N -0.498 115.160 115.700 -0.070 0.000 2.382 130 S HA -0.198 4.290 4.470 0.031 0.000 0.228 130 S C 1.969 176.534 174.600 -0.058 0.000 1.027 130 S CA 1.048 59.204 58.200 -0.073 0.000 0.991 130 S CB -0.464 62.654 63.200 -0.137 0.000 0.823 130 S HN 0.429 nan 8.310 nan 0.000 0.469 131 H N 1.073 120.131 119.070 -0.020 0.000 2.293 131 H HA 0.008 4.550 4.556 -0.023 0.000 0.300 131 H C 2.194 177.517 175.328 -0.008 0.000 1.082 131 H CA 1.461 57.496 56.048 -0.022 0.000 1.308 131 H CB -0.476 29.248 29.762 -0.063 0.000 1.375 131 H HN 0.370 nan 8.280 nan 0.000 0.495 132 I N 0.699 121.330 120.570 0.101 0.000 2.226 132 I HA -0.246 3.942 4.170 0.031 0.000 0.245 132 I C 2.114 178.286 176.117 0.092 0.000 1.100 132 I CA 1.201 62.507 61.300 0.010 0.000 1.374 132 I CB -0.249 37.756 38.000 0.009 0.000 1.057 132 I HN 0.118 nan 8.210 nan 0.000 0.413 133 D N 0.631 121.139 120.400 0.179 0.000 2.123 133 D HA -0.190 4.469 4.640 0.031 0.000 0.196 133 D C 2.226 178.651 176.300 0.209 0.000 0.992 133 D CA 1.222 55.382 54.000 0.266 0.000 0.833 133 D CB -0.241 40.699 40.800 0.234 0.000 0.954 133 D HN 0.469 nan 8.370 nan 0.000 0.455 134 Q N -0.265 119.617 119.800 0.136 0.000 1.948 134 Q HA -0.170 4.188 4.340 0.031 0.000 0.205 134 Q C 2.172 178.264 176.000 0.153 0.000 0.992 134 Q CA 0.988 56.858 55.803 0.111 0.000 0.849 134 Q CB -0.441 28.344 28.738 0.078 0.000 0.918 134 Q HN 0.223 nan 8.270 nan 0.000 0.421 135 F N 0.561 120.521 119.950 0.016 0.000 2.135 135 F HA -0.302 4.231 4.527 0.009 0.000 0.300 135 F C 1.741 177.595 175.800 0.091 0.000 1.074 135 F CA 1.631 59.638 58.000 0.012 0.000 1.262 135 F CB -0.353 38.558 39.000 -0.149 0.000 1.013 135 F HN 0.063 nan 8.300 nan 0.000 0.489 136 F N 0.048 120.071 119.950 0.121 0.000 2.293 136 F HA -0.117 4.434 4.527 0.040 0.000 0.297 136 F C 2.275 178.048 175.800 -0.043 0.000 1.089 136 F CA 0.765 58.778 58.000 0.021 0.000 1.377 136 F CB -0.271 38.789 39.000 0.100 0.000 1.051 136 F HN 0.048 nan 8.300 nan 0.000 0.511 137 I N -1.263 119.401 120.570 0.156 0.000 2.353 137 I HA -0.141 4.047 4.170 0.031 0.000 0.248 137 I C 2.210 178.300 176.117 -0.045 0.000 1.119 137 I CA 0.926 62.254 61.300 0.046 0.000 1.417 137 I CB -0.462 37.559 38.000 0.036 0.000 1.078 137 I HN -0.096 nan 8.210 nan 0.000 0.421 138 R N 0.931 121.359 120.500 -0.120 0.000 2.082 138 R HA -0.022 4.337 4.340 0.031 0.000 0.228 138 R C 1.727 177.823 176.300 -0.340 0.000 1.140 138 R CA 1.437 57.367 56.100 -0.284 0.000 0.920 138 R CB -0.948 29.074 30.300 -0.464 0.000 0.828 138 R HN 0.449 nan 8.270 nan 0.000 0.430 139 H N 0.894 119.838 119.070 -0.210 0.000 3.109 139 H HA 0.000 4.570 4.556 0.022 0.000 0.298 139 H C 0.769 176.019 175.328 -0.130 0.000 1.248 139 H CA 0.202 56.112 56.048 -0.230 0.000 1.204 139 H CB 0.061 29.547 29.762 -0.460 0.000 1.367 139 H HN 0.200 nan 8.280 nan 0.000 0.592 140 Q N 1.307 121.092 119.800 -0.025 0.000 2.482 140 Q HA -0.038 4.320 4.340 0.031 0.000 0.209 140 Q C 1.791 177.771 176.000 -0.032 0.000 0.961 140 Q CA 0.687 56.482 55.803 -0.014 0.000 0.945 140 Q CB 0.201 28.924 28.738 -0.025 0.000 1.012 140 Q HN 0.318 nan 8.270 nan 0.000 0.515 141 K N -1.260 119.122 120.400 -0.030 0.000 2.367 141 K HA 0.081 4.420 4.320 0.031 0.000 0.195 141 K C 1.105 177.687 176.600 -0.031 0.000 1.060 141 K CA -0.013 56.256 56.287 -0.031 0.000 1.022 141 K CB 0.416 32.898 32.500 -0.030 0.000 0.894 141 K HN -0.071 nan 8.250 nan 0.000 0.540 142 K N 0.983 121.361 120.400 -0.036 0.000 2.076 142 K HA -0.004 4.334 4.320 0.031 0.000 0.204 142 K C 0.934 177.448 176.600 -0.143 0.000 1.051 142 K CA 0.307 56.548 56.287 -0.076 0.000 0.949 142 K CB -0.378 32.063 32.500 -0.099 0.000 0.726 142 K HN 0.184 nan 8.250 nan 0.000 0.443 143 L N 2.335 123.481 121.223 -0.129 0.000 2.525 143 L HA -0.100 4.259 4.340 0.031 0.000 0.278 143 L C 1.203 178.083 176.870 0.018 0.000 1.218 143 L CA 0.472 55.241 54.840 -0.118 0.000 0.878 143 L CB 0.516 42.547 42.059 -0.047 0.000 1.127 143 L HN 0.147 nan 8.230 nan 0.000 0.492 144 E N 4.567 124.916 120.200 0.247 0.000 2.485 144 E HA 0.246 4.614 4.350 0.031 0.000 0.213 144 E C -0.399 176.221 176.600 0.033 0.000 0.923 144 E CA 0.154 56.641 56.400 0.145 0.000 1.054 144 E CB 0.781 30.575 29.700 0.156 0.000 1.077 144 E HN 0.525 nan 8.360 nan 0.000 0.509 145 R N 0.327 120.905 120.500 0.130 0.000 5.523 145 R HA 0.108 4.467 4.340 0.031 0.000 0.269 145 R C -1.768 174.647 176.300 0.191 0.000 0.936 145 R CA -0.318 55.801 56.100 0.032 0.000 1.517 145 R CB 0.360 30.525 30.300 -0.225 0.000 1.223 145 R HN -0.056 nan 8.270 nan 0.000 0.672 146 L N 2.999 124.323 121.223 0.168 0.000 2.305 146 L HA 0.410 4.768 4.340 0.031 0.000 0.281 146 L C 1.347 178.365 176.870 0.248 0.000 1.085 146 L CA 0.648 55.621 54.840 0.222 0.000 0.813 146 L CB 1.638 43.770 42.059 0.123 0.000 1.157 146 L HN 0.836 nan 8.230 nan 0.000 0.436 147 T N -1.351 113.376 114.554 0.288 0.000 3.056 147 T HA 0.373 4.741 4.350 0.031 0.000 0.243 147 T C 0.402 175.191 174.700 0.149 0.000 0.995 147 T CA 0.491 62.724 62.100 0.222 0.000 1.091 147 T CB 0.059 69.047 68.868 0.199 0.000 0.990 147 T HN 0.659 nan 8.240 nan 0.000 0.464 148 S N -0.168 115.647 115.700 0.192 0.000 2.643 148 S HA 0.637 5.126 4.470 0.031 0.000 0.266 148 S C -1.755 172.948 174.600 0.172 0.000 1.130 148 S CA -1.155 57.103 58.200 0.097 0.000 0.817 148 S CB 1.241 64.468 63.200 0.045 0.000 1.107 148 S HN 0.558 nan 8.310 nan 0.000 0.471 149 I N 0.460 121.051 120.570 0.034 0.000 2.545 149 I HA 0.801 4.990 4.170 0.031 0.000 0.292 149 I C -1.046 175.108 176.117 0.062 0.000 1.040 149 I CA -0.970 60.406 61.300 0.128 0.000 1.068 149 I CB 1.794 39.865 38.000 0.118 0.000 1.251 149 I HN 1.125 nan 8.210 nan 0.000 0.424 150 A N 8.118 131.060 122.820 0.204 0.000 2.340 150 A HA 0.743 5.081 4.320 0.031 0.000 0.297 150 A C -1.214 176.469 177.584 0.165 0.000 1.195 150 A CA -0.374 51.799 52.037 0.227 0.000 0.769 150 A CB 0.597 19.745 19.000 0.246 0.000 1.163 150 A HN 0.553 nan 8.150 nan 0.000 0.472 151 I N 1.882 122.526 120.570 0.124 0.000 2.460 151 I HA 0.560 4.749 4.170 0.031 0.000 0.298 151 I C 0.571 176.742 176.117 0.090 0.000 0.989 151 I CA -0.076 61.273 61.300 0.083 0.000 1.173 151 I CB 2.396 40.423 38.000 0.045 0.000 1.338 151 I HN 0.625 nan 8.210 nan 0.000 0.456 152 T N 4.977 119.575 114.554 0.072 0.000 2.864 152 T HA 0.815 5.183 4.350 0.031 0.000 0.299 152 T C -0.792 173.931 174.700 0.039 0.000 1.011 152 T CA -0.675 61.471 62.100 0.077 0.000 0.975 152 T CB 0.454 69.370 68.868 0.080 0.000 0.962 152 T HN 0.364 nan 8.240 nan 0.000 0.448 153 L N 1.206 122.440 121.223 0.018 0.000 2.341 153 L HA 0.954 5.313 4.340 0.031 0.000 0.254 153 L C -3.018 173.727 176.870 -0.207 0.000 1.040 153 L CA -2.589 52.222 54.840 -0.047 0.000 0.837 153 L CB 0.544 42.578 42.059 -0.041 0.000 1.425 153 L HN 0.262 nan 8.230 nan 0.000 0.414 154 P HA 0.641 nan 4.420 nan 0.000 0.281 154 P C -0.168 177.005 177.300 -0.212 0.000 1.264 154 P CA 0.067 62.957 63.100 -0.351 0.000 0.824 154 P CB 1.684 33.340 31.700 -0.075 0.000 1.092 155 G N 0.479 109.225 108.800 -0.091 0.000 2.525 155 G HA2 -0.063 3.915 3.960 0.031 0.000 0.685 155 G HA3 -0.063 3.915 3.960 0.031 0.000 0.685 155 G C -1.114 174.056 174.900 0.450 0.000 1.290 155 G CA -0.863 44.326 45.100 0.149 0.000 0.915 155 G HN 0.451 nan 8.290 nan 0.000 0.548 156 I N 0.766 121.610 120.570 0.457 0.000 2.416 156 I HA 0.455 4.644 4.170 0.031 0.000 0.288 156 I C 0.788 177.051 176.117 0.243 0.000 1.051 156 I CA 0.048 61.564 61.300 0.360 0.000 1.375 156 I CB 0.205 38.395 38.000 0.317 0.000 1.407 156 I HN 0.437 nan 8.210 nan 0.000 0.516 157 I N 4.898 125.578 120.570 0.183 0.000 2.730 157 I HA 0.264 4.452 4.170 0.031 0.000 0.298 157 I C 1.063 177.172 176.117 -0.013 0.000 1.089 157 I CA -0.537 60.778 61.300 0.025 0.000 1.041 157 I CB 2.618 40.672 38.000 0.089 0.000 1.235 157 I HN 0.470 nan 8.210 nan 0.000 0.423 158 D N 2.248 122.562 120.400 -0.143 0.000 2.305 158 D HA -0.119 4.539 4.640 0.031 0.000 0.206 158 D C 1.545 177.851 176.300 0.009 0.000 0.974 158 D CA 1.812 55.787 54.000 -0.041 0.000 0.871 158 D CB 0.543 41.285 40.800 -0.097 0.000 0.947 158 D HN 0.962 nan 8.370 nan 0.000 0.516 159 T N -0.603 113.954 114.554 0.006 0.000 11.812 159 T HA -0.464 3.904 4.350 0.031 0.000 0.419 159 T C 1.452 176.179 174.700 0.045 0.000 1.443 159 T CA 2.406 64.530 62.100 0.040 0.000 2.402 159 T CB -1.743 67.160 68.868 0.058 0.000 2.878 159 T HN 0.431 nan 8.240 nan 0.000 0.920 160 E N 1.995 122.219 120.200 0.041 0.000 2.086 160 E HA -0.247 4.122 4.350 0.031 0.000 0.200 160 E C 1.665 178.283 176.600 0.031 0.000 1.012 160 E CA 1.944 58.368 56.400 0.040 0.000 0.812 160 E CB -0.189 29.534 29.700 0.038 0.000 0.743 160 E HN 0.835 nan 8.360 nan 0.000 0.453 161 N N -1.062 117.649 118.700 0.019 0.000 2.197 161 N HA 0.096 4.855 4.740 0.031 0.000 0.201 161 N C 0.304 175.812 175.510 -0.004 0.000 1.148 161 N CA 0.802 53.858 53.050 0.010 0.000 0.883 161 N CB 1.369 39.862 38.487 0.010 0.000 1.012 161 N HN 0.261 nan 8.380 nan 0.000 0.507 162 G N 1.866 110.661 108.800 -0.008 0.000 2.333 162 G HA2 -0.253 3.725 3.960 0.031 0.000 0.296 162 G HA3 -0.253 3.725 3.960 0.031 0.000 0.296 162 G C -0.264 174.605 174.900 -0.052 0.000 1.059 162 G CA -0.173 44.917 45.100 -0.016 0.000 1.050 162 G HN 0.338 nan 8.290 nan 0.000 0.508 163 I N 0.773 121.277 120.570 -0.111 0.000 2.361 163 I HA 0.200 4.388 4.170 0.031 0.000 0.282 163 I C 0.861 176.799 176.117 -0.298 0.000 1.075 163 I CA -0.979 60.221 61.300 -0.166 0.000 1.205 163 I CB 1.414 39.322 38.000 -0.153 0.000 1.406 163 I HN -0.054 nan 8.210 nan 0.000 0.481 164 V N 6.786 126.605 119.914 -0.158 0.000 2.458 164 V HA -0.080 4.058 4.120 0.031 0.000 0.287 164 V C 1.405 177.436 176.094 -0.104 0.000 1.009 164 V CA 0.353 62.580 62.300 -0.122 0.000 1.091 164 V CB -0.155 31.638 31.823 -0.050 0.000 0.960 164 V HN 0.638 nan 8.190 nan 0.000 0.476 165 H N 4.702 123.809 119.070 0.061 0.000 2.265 165 H HA 0.156 4.731 4.556 0.031 0.000 0.305 165 H C 0.874 176.238 175.328 0.061 0.000 1.054 165 H CA 1.102 57.184 56.048 0.056 0.000 1.296 165 H CB 0.308 30.106 29.762 0.059 0.000 1.395 165 H HN 0.438 nan 8.280 nan 0.000 0.502 166 R N -0.614 120.030 120.500 0.240 0.000 2.837 166 R HA 0.535 4.894 4.340 0.031 0.000 0.271 166 R C -0.512 175.854 176.300 0.110 0.000 0.993 166 R CA -0.344 55.858 56.100 0.169 0.000 0.931 166 R CB 2.347 32.770 30.300 0.204 0.000 1.206 166 R HN 0.101 nan 8.270 nan 0.000 0.474 167 M N 1.310 120.909 119.600 -0.001 0.000 2.619 167 M HA 0.380 4.879 4.480 0.031 0.000 0.297 167 M C -1.725 174.338 176.300 -0.395 0.000 1.229 167 M CA -2.076 53.111 55.300 -0.187 0.000 0.860 167 M CB 2.589 35.169 32.600 -0.034 0.000 1.741 167 M HN 0.316 nan 8.290 nan 0.000 0.462 168 P HA 0.017 nan 4.420 nan 0.000 0.221 168 P C -0.010 176.603 177.300 -1.146 0.000 1.150 168 P CA 1.351 63.784 63.100 -1.112 0.000 0.800 168 P CB 0.198 31.009 31.700 -1.482 0.000 0.787 169 F N -4.366 115.561 119.950 -0.038 0.000 2.817 169 F HA 0.324 4.871 4.527 0.034 0.000 0.319 169 F C -0.172 175.456 175.800 -0.287 0.000 1.136 169 F CA -0.400 57.517 58.000 -0.138 0.000 1.177 169 F CB 0.211 39.095 39.000 -0.194 0.000 1.088 169 F HN -0.242 nan 8.300 nan 0.000 0.520 170 Y N 0.364 120.677 120.300 0.022 0.000 2.497 170 Y HA 0.191 4.755 4.550 0.023 0.000 0.333 170 Y C 1.181 177.078 175.900 -0.006 0.000 1.046 170 Y CA -1.269 56.844 58.100 0.021 0.000 1.160 170 Y CB 0.169 38.643 38.460 0.024 0.000 1.123 170 Y HN 0.119 nan 8.280 nan 0.000 0.638 171 E N 0.587 120.836 120.200 0.081 0.000 2.333 171 E HA -0.234 4.134 4.350 0.031 0.000 0.200 171 E C 0.645 177.289 176.600 0.074 0.000 1.010 171 E CA 1.692 58.126 56.400 0.057 0.000 0.841 171 E CB 0.354 30.071 29.700 0.028 0.000 0.757 171 E HN 0.617 nan 8.360 nan 0.000 0.508 172 D N 0.165 120.624 120.400 0.099 0.000 2.117 172 D HA -0.092 4.567 4.640 0.031 0.000 0.198 172 D C 0.533 176.880 176.300 0.079 0.000 0.982 172 D CA 0.488 54.540 54.000 0.086 0.000 0.828 172 D CB -0.143 40.718 40.800 0.102 0.000 0.967 172 D HN 0.028 nan 8.370 nan 0.000 0.464 173 V N 1.793 121.763 119.914 0.094 0.000 2.452 173 V HA -0.077 4.062 4.120 0.031 0.000 0.286 173 V C 0.578 176.709 176.094 0.062 0.000 0.995 173 V CA 0.561 62.895 62.300 0.057 0.000 1.116 173 V CB -0.149 31.692 31.823 0.029 0.000 0.954 173 V HN 0.046 nan 8.190 nan 0.000 0.473 174 K N 4.868 125.301 120.400 0.056 0.000 2.690 174 K HA 0.323 4.662 4.320 0.031 0.000 0.243 174 K C -0.798 175.844 176.600 0.071 0.000 0.982 174 K CA -0.500 55.830 56.287 0.071 0.000 0.955 174 K CB 0.703 33.239 32.500 0.059 0.000 1.185 174 K HN 0.624 nan 8.250 nan 0.000 0.467 175 E N 2.708 122.968 120.200 0.099 0.000 2.484 175 E HA -0.238 4.131 4.350 0.031 0.000 0.181 175 E C -0.993 175.626 176.600 0.031 0.000 1.458 175 E CA 0.781 57.235 56.400 0.090 0.000 0.667 175 E CB -1.051 28.708 29.700 0.099 0.000 1.125 175 E HN 0.764 nan 8.360 nan 0.000 0.384 176 M N 3.322 122.921 119.600 -0.002 0.000 2.061 176 M HA 0.253 4.752 4.480 0.031 0.000 0.346 176 M C -1.943 174.338 176.300 -0.030 0.000 1.112 176 M CA -1.899 53.390 55.300 -0.018 0.000 1.021 176 M CB 1.218 33.799 32.600 -0.033 0.000 1.530 176 M HN -0.202 nan 8.290 nan 0.000 0.437 177 P HA 0.015 nan 4.420 nan 0.000 0.228 177 P C 0.609 177.898 177.300 -0.018 0.000 1.748 177 P CA 0.007 63.097 63.100 -0.016 0.000 0.909 177 P CB -0.162 31.536 31.700 -0.003 0.000 1.882 178 L N 1.440 122.646 121.223 -0.027 0.000 2.042 178 L HA -0.097 4.262 4.340 0.031 0.000 0.210 178 L C 2.393 179.254 176.870 -0.016 0.000 1.076 178 L CA 2.549 57.373 54.840 -0.026 0.000 0.749 178 L CB -1.245 40.794 42.059 -0.034 0.000 0.893 178 L HN 0.152 nan 8.230 nan 0.000 0.432 179 G N -1.360 107.431 108.800 -0.015 0.000 2.433 179 G HA2 -0.312 3.667 3.960 0.031 0.000 0.216 179 G HA3 -0.312 3.667 3.960 0.031 0.000 0.216 179 G C 1.474 176.367 174.900 -0.011 0.000 1.186 179 G CA 0.711 45.802 45.100 -0.015 0.000 0.779 179 G HN 0.536 nan 8.290 nan 0.000 0.543 180 E N 0.492 120.689 120.200 -0.005 0.000 2.077 180 E HA -0.073 4.296 4.350 0.031 0.000 0.193 180 E C 2.726 179.334 176.600 0.014 0.000 0.989 180 E CA 1.093 57.495 56.400 0.003 0.000 0.800 180 E CB -0.237 29.466 29.700 0.006 0.000 0.746 180 E HN 0.336 nan 8.360 nan 0.000 0.452 181 A N 1.105 123.932 122.820 0.012 0.000 1.855 181 A HA -0.114 4.225 4.320 0.031 0.000 0.215 181 A C 2.221 179.833 177.584 0.047 0.000 1.191 181 A CA 1.118 53.168 52.037 0.022 0.000 0.613 181 A CB -0.682 18.318 19.000 0.000 0.000 0.829 181 A HN 0.312 nan 8.150 nan 0.000 0.442 182 L N -0.653 120.590 121.223 0.033 0.000 2.191 182 L HA -0.169 4.189 4.340 0.031 0.000 0.212 182 L C 2.579 179.503 176.870 0.089 0.000 1.103 182 L CA 1.599 56.477 54.840 0.065 0.000 0.769 182 L CB -0.453 41.628 42.059 0.037 0.000 0.908 182 L HN 0.631 nan 8.230 nan 0.000 0.438 183 E N 0.197 120.424 120.200 0.046 0.000 2.046 183 E HA -0.259 4.109 4.350 0.031 0.000 0.190 183 E C 2.222 178.854 176.600 0.053 0.000 0.982 183 E CA 0.813 57.231 56.400 0.030 0.000 0.800 183 E CB -0.027 29.670 29.700 -0.005 0.000 0.756 183 E HN 0.376 nan 8.360 nan 0.000 0.449 184 Q N 0.209 120.046 119.800 0.062 0.000 2.170 184 Q HA -0.234 4.124 4.340 0.031 0.000 0.203 184 Q C 1.270 177.328 176.000 0.097 0.000 0.976 184 Q CA 1.681 57.524 55.803 0.066 0.000 0.858 184 Q CB -0.261 28.515 28.738 0.064 0.000 0.907 184 Q HN 0.419 nan 8.270 nan 0.000 0.433 185 H N -0.222 118.865 119.070 0.030 0.000 2.539 185 H HA 0.059 4.633 4.556 0.031 0.000 0.267 185 H C 1.049 176.410 175.328 0.054 0.000 0.982 185 H CA 1.482 57.556 56.048 0.043 0.000 1.146 185 H CB 0.367 30.162 29.762 0.054 0.000 1.382 185 H HN 0.481 nan 8.280 nan 0.000 0.577 186 T N -6.743 107.852 114.554 0.069 0.000 3.507 186 T HA 0.264 4.632 4.350 0.031 0.000 0.280 186 T C 1.555 176.259 174.700 0.007 0.000 0.976 186 T CA 0.324 62.445 62.100 0.035 0.000 1.096 186 T CB 0.185 69.125 68.868 0.120 0.000 1.168 186 T HN 0.200 nan 8.240 nan 0.000 0.463 187 G N 1.296 110.110 108.800 0.023 0.000 2.148 187 G HA2 0.083 4.062 3.960 0.031 0.000 0.157 187 G HA3 0.083 4.062 3.960 0.031 0.000 0.157 187 G C -0.065 174.844 174.900 0.016 0.000 1.012 187 G CA 0.052 45.159 45.100 0.012 0.000 0.677 187 G HN 1.640 nan 8.290 nan 0.000 0.506 188 V N -3.133 116.792 119.914 0.018 0.000 2.914 188 V HA 0.924 5.062 4.120 0.031 0.000 0.314 188 V C -2.577 173.483 176.094 -0.057 0.000 1.084 188 V CA -3.049 59.254 62.300 0.004 0.000 0.963 188 V CB 2.047 33.898 31.823 0.046 0.000 1.025 188 V HN 0.014 nan 8.190 nan 0.000 0.432 189 P HA 0.271 nan 4.420 nan 0.000 0.268 189 P C -0.614 176.383 177.300 -0.504 0.000 1.205 189 P CA 0.095 63.026 63.100 -0.282 0.000 0.771 189 P CB 0.762 32.286 31.700 -0.293 0.000 0.858 190 V N 4.346 124.005 119.914 -0.424 0.000 2.532 190 V HA 0.329 4.467 4.120 0.031 0.000 0.295 190 V C -0.510 175.336 176.094 -0.413 0.000 1.041 190 V CA -0.322 61.759 62.300 -0.366 0.000 0.926 190 V CB 0.751 32.499 31.823 -0.124 0.000 0.992 190 V HN 0.433 nan 8.190 nan 0.000 0.457 191 Y N 4.182 124.497 120.300 0.025 0.000 2.326 191 Y HA 0.561 5.129 4.550 0.030 0.000 0.331 191 Y C -0.139 175.778 175.900 0.029 0.000 0.962 191 Y CA -1.121 56.990 58.100 0.018 0.000 1.167 191 Y CB 1.619 40.076 38.460 -0.005 0.000 1.148 191 Y HN 0.339 nan 8.280 nan 0.000 0.463 192 I N 3.501 124.184 120.570 0.188 0.000 2.359 192 I HA 0.430 4.619 4.170 0.031 0.000 0.294 192 I C -0.248 175.947 176.117 0.131 0.000 0.987 192 I CA -0.644 60.734 61.300 0.130 0.000 1.225 192 I CB 1.300 39.356 38.000 0.093 0.000 1.366 192 I HN 0.697 nan 8.210 nan 0.000 0.466 193 Q N 3.975 123.861 119.800 0.143 0.000 2.630 193 Q HA 0.408 4.767 4.340 0.031 0.000 0.295 193 Q C -1.507 174.645 176.000 0.254 0.000 0.944 193 Q CA -0.582 55.305 55.803 0.140 0.000 0.766 193 Q CB 1.897 30.685 28.738 0.083 0.000 1.471 193 Q HN 0.628 nan 8.270 nan 0.000 0.416 194 H N 0.693 119.790 119.070 0.045 0.000 2.483 194 H HA 0.162 4.737 4.556 0.032 0.000 0.338 194 H C -0.181 175.192 175.328 0.076 0.000 1.152 194 H CA -0.680 55.407 56.048 0.066 0.000 1.264 194 H CB 1.472 31.277 29.762 0.072 0.000 1.510 194 H HN 0.724 nan 8.280 nan 0.000 0.530 195 D N 2.044 122.540 120.400 0.160 0.000 2.203 195 D HA -0.169 4.490 4.640 0.031 0.000 0.199 195 D C 1.790 178.225 176.300 0.224 0.000 0.997 195 D CA 1.211 55.287 54.000 0.126 0.000 0.863 195 D CB 0.061 40.898 40.800 0.061 0.000 0.928 195 D HN 0.484 nan 8.370 nan 0.000 0.458 196 I N 0.468 121.188 120.570 0.250 0.000 2.202 196 I HA -0.234 3.954 4.170 0.031 0.000 0.242 196 I C 2.322 178.530 176.117 0.152 0.000 1.091 196 I CA 0.888 62.330 61.300 0.237 0.000 1.368 196 I CB -0.159 37.946 38.000 0.176 0.000 1.058 196 I HN -0.098 nan 8.210 nan 0.000 0.410 197 S N 0.917 116.681 115.700 0.106 0.000 2.348 197 S HA -0.191 4.297 4.470 0.031 0.000 0.221 197 S C 2.307 176.939 174.600 0.053 0.000 1.033 197 S CA 1.334 59.547 58.200 0.022 0.000 1.010 197 S CB -0.599 62.583 63.200 -0.030 0.000 0.891 197 S HN 0.528 nan 8.310 nan 0.000 0.442 198 A N 1.245 124.129 122.820 0.106 0.000 1.883 198 A HA -0.192 4.147 4.320 0.031 0.000 0.217 198 A C 1.857 179.563 177.584 0.203 0.000 1.186 198 A CA 1.735 53.848 52.037 0.127 0.000 0.624 198 A CB -1.165 17.914 19.000 0.132 0.000 0.822 198 A HN 0.699 nan 8.150 nan 0.000 0.444 199 W N 1.617 122.928 121.300 0.019 0.000 2.392 199 W HA -0.110 4.572 4.660 0.037 0.000 0.279 199 W C 1.969 178.472 176.519 -0.027 0.000 1.225 199 W CA 1.932 59.292 57.345 0.024 0.000 1.233 199 W CB -1.088 28.388 29.460 0.027 0.000 1.122 199 W HN 0.334 nan 8.180 nan 0.000 0.561 200 T N 0.817 115.404 114.554 0.055 0.000 2.821 200 T HA -0.256 4.112 4.350 0.031 0.000 0.267 200 T C 1.723 176.354 174.700 -0.114 0.000 1.046 200 T CA 1.888 63.913 62.100 -0.126 0.000 1.139 200 T CB -0.416 68.374 68.868 -0.131 0.000 0.871 200 T HN 0.135 nan 8.240 nan 0.000 0.454 201 M N 1.367 120.935 119.600 -0.054 0.000 2.288 201 M HA 0.263 4.762 4.480 0.031 0.000 0.266 201 M C 2.250 178.455 176.300 -0.158 0.000 1.072 201 M CA 0.994 56.247 55.300 -0.078 0.000 1.132 201 M CB -0.404 32.184 32.600 -0.019 0.000 1.386 201 M HN 0.186 nan 8.290 nan 0.000 0.432 202 A N -0.074 122.678 122.820 -0.112 0.000 1.902 202 A HA -0.133 4.205 4.320 0.031 0.000 0.217 202 A C 2.035 179.132 177.584 -0.812 0.000 1.181 202 A CA 1.728 53.548 52.037 -0.361 0.000 0.623 202 A CB -0.728 18.371 19.000 0.166 0.000 0.818 202 A HN 0.552 nan 8.150 nan 0.000 0.443 203 E N -0.204 119.791 120.200 -0.343 0.000 2.150 203 E HA -0.082 4.287 4.350 0.031 0.000 0.193 203 E C 2.173 178.548 176.600 -0.375 0.000 0.985 203 E CA 1.101 57.301 56.400 -0.332 0.000 0.814 203 E CB -0.350 29.216 29.700 -0.222 0.000 0.752 203 E HN 0.594 nan 8.360 nan 0.000 0.466 204 A N 0.505 123.127 122.820 -0.331 0.000 2.067 204 A HA 0.016 4.354 4.320 0.031 0.000 0.217 204 A C 2.157 179.579 177.584 -0.270 0.000 1.156 204 A CA 0.434 52.320 52.037 -0.251 0.000 0.683 204 A CB -0.221 18.669 19.000 -0.184 0.000 0.808 204 A HN 0.133 nan 8.150 nan 0.000 0.455 205 L N -2.001 118.961 121.223 -0.434 0.000 2.375 205 L HA 0.126 4.485 4.340 0.031 0.000 0.215 205 L C 1.240 177.978 176.870 -0.221 0.000 1.108 205 L CA 0.838 55.491 54.840 -0.312 0.000 0.830 205 L CB 0.059 41.990 42.059 -0.213 0.000 0.959 205 L HN 0.676 nan 8.230 nan 0.000 0.457 206 F N -4.559 115.319 119.950 -0.120 0.000 3.187 206 F HA 0.361 4.907 4.527 0.030 0.000 0.398 206 F C 1.240 176.867 175.800 -0.290 0.000 1.110 206 F CA -0.267 57.623 58.000 -0.182 0.000 0.900 206 F CB -1.277 37.605 39.000 -0.196 0.000 1.578 206 F HN -0.198 nan 8.300 nan 0.000 0.511 207 G N 1.278 109.781 108.800 -0.495 0.000 2.713 207 G HA2 0.310 4.288 3.960 0.031 0.000 0.170 207 G HA3 0.310 4.288 3.960 0.031 0.000 0.170 207 G C 1.241 176.050 174.900 -0.151 0.000 1.724 207 G CA 1.278 46.185 45.100 -0.322 0.000 0.892 207 G HN 0.586 nan 8.290 nan 0.000 0.376 208 A N -1.195 121.553 122.820 -0.121 0.000 2.211 208 A HA 0.368 4.707 4.320 0.031 0.000 0.208 208 A C 2.002 179.529 177.584 -0.095 0.000 1.250 208 A CA 1.293 53.285 52.037 -0.075 0.000 0.935 208 A CB 0.061 19.036 19.000 -0.041 0.000 0.982 208 A HN 0.929 nan 8.150 nan 0.000 0.490 209 S N -0.162 115.457 115.700 -0.134 0.000 2.622 209 S HA 0.219 4.708 4.470 0.031 0.000 0.236 209 S C 0.573 175.094 174.600 -0.131 0.000 0.956 209 S CA -0.452 57.670 58.200 -0.131 0.000 0.971 209 S CB -0.430 62.678 63.200 -0.153 0.000 0.782 209 S HN 0.423 nan 8.310 nan 0.000 0.468 210 R N 1.056 121.480 120.500 -0.127 0.000 2.404 210 R HA 0.375 4.734 4.340 0.031 0.000 0.315 210 R C 1.123 177.376 176.300 -0.078 0.000 1.032 210 R CA 1.244 57.278 56.100 -0.111 0.000 0.992 210 R CB -0.319 29.926 30.300 -0.091 0.000 0.959 210 R HN 0.602 nan 8.270 nan 0.000 0.428 211 G N 2.179 110.932 108.800 -0.078 0.000 2.218 211 G HA2 -0.244 3.734 3.960 0.031 0.000 0.216 211 G HA3 -0.244 3.734 3.960 0.031 0.000 0.216 211 G C -0.072 174.785 174.900 -0.072 0.000 0.994 211 G CA -0.046 45.015 45.100 -0.065 0.000 0.637 211 G HN 0.878 nan 8.290 nan 0.000 0.505 212 A N -0.128 122.641 122.820 -0.084 0.000 2.286 212 A HA 0.826 5.165 4.320 0.031 0.000 0.286 212 A C 1.267 178.793 177.584 -0.098 0.000 1.097 212 A CA 0.012 51.997 52.037 -0.087 0.000 0.821 212 A CB 0.586 19.531 19.000 -0.092 0.000 1.076 212 A HN 0.178 nan 8.150 nan 0.000 0.490 213 R N -0.057 120.387 120.500 -0.093 0.000 2.316 213 R HA 0.189 4.548 4.340 0.031 0.000 0.201 213 R C -0.982 175.262 176.300 -0.094 0.000 0.888 213 R CA 0.397 56.437 56.100 -0.100 0.000 1.041 213 R CB 0.501 30.748 30.300 -0.089 0.000 1.115 213 R HN 0.714 nan 8.270 nan 0.000 0.559 214 D N 1.150 121.496 120.400 -0.091 0.000 2.402 214 D HA 0.285 4.943 4.640 0.031 0.000 0.252 214 D C -0.799 175.435 176.300 -0.111 0.000 1.294 214 D CA -0.114 53.830 54.000 -0.093 0.000 0.948 214 D CB 2.617 43.378 40.800 -0.065 0.000 1.202 214 D HN -0.278 nan 8.370 nan 0.000 0.561 215 V N 2.057 121.884 119.914 -0.145 0.000 2.960 215 V HA 0.577 4.715 4.120 0.031 0.000 0.315 215 V C -0.329 175.645 176.094 -0.199 0.000 1.087 215 V CA -0.840 61.365 62.300 -0.159 0.000 0.982 215 V CB 2.888 34.610 31.823 -0.168 0.000 1.039 215 V HN 0.358 nan 8.190 nan 0.000 0.437 216 I N 2.571 123.029 120.570 -0.186 0.000 2.512 216 I HA 0.485 4.673 4.170 0.031 0.000 0.287 216 I C -0.558 175.440 176.117 -0.199 0.000 1.069 216 I CA -0.370 60.812 61.300 -0.197 0.000 1.056 216 I CB 1.685 39.599 38.000 -0.144 0.000 1.229 216 I HN 0.773 nan 8.210 nan 0.000 0.429 217 Q N 5.048 124.716 119.800 -0.219 0.000 2.325 217 Q HA 0.647 5.006 4.340 0.031 0.000 0.270 217 Q C -1.658 174.207 176.000 -0.226 0.000 1.020 217 Q CA -0.461 55.185 55.803 -0.262 0.000 0.785 217 Q CB 2.414 30.952 28.738 -0.333 0.000 1.259 217 Q HN 0.496 nan 8.270 nan 0.000 0.452 218 V N 3.810 123.600 119.914 -0.205 0.000 2.483 218 V HA 0.524 4.663 4.120 0.031 0.000 0.295 218 V C -0.308 175.699 176.094 -0.146 0.000 1.035 218 V CA -0.730 61.489 62.300 -0.136 0.000 0.896 218 V CB 1.738 33.508 31.823 -0.089 0.000 0.986 218 V HN 0.565 nan 8.190 nan 0.000 0.447 219 V N 5.578 125.449 119.914 -0.072 0.000 2.513 219 V HA 0.548 4.686 4.120 0.031 0.000 0.299 219 V C -0.285 175.839 176.094 0.050 0.000 1.035 219 V CA -0.378 61.921 62.300 -0.001 0.000 0.889 219 V CB 1.851 33.737 31.823 0.104 0.000 0.988 219 V HN 0.733 nan 8.190 nan 0.000 0.440 220 I N 3.928 124.543 120.570 0.076 0.000 2.641 220 I HA 0.409 4.597 4.170 0.031 0.000 0.275 220 I C -0.240 175.908 176.117 0.051 0.000 1.129 220 I CA 0.045 61.384 61.300 0.066 0.000 1.094 220 I CB 0.935 38.974 38.000 0.065 0.000 1.232 220 I HN 0.606 nan 8.210 nan 0.000 0.503 221 D N 1.158 121.578 120.400 0.033 0.000 3.680 221 D HA 0.267 4.926 4.640 0.031 0.000 0.177 221 D C 0.891 177.186 176.300 -0.009 0.000 1.239 221 D CA -0.185 53.763 54.000 -0.086 0.000 1.316 221 D CB 0.618 41.315 40.800 -0.172 0.000 1.156 221 D HN 0.338 nan 8.370 nan 0.000 0.384 222 H N 0.216 119.355 119.070 0.115 0.000 2.551 222 H HA 0.272 4.846 4.556 0.029 0.000 0.266 222 H C -0.112 175.356 175.328 0.234 0.000 0.977 222 H CA 0.503 56.659 56.048 0.180 0.000 1.163 222 H CB 0.256 30.110 29.762 0.153 0.000 1.381 222 H HN 0.074 nan 8.280 nan 0.000 0.581 223 N N 0.123 118.974 118.700 0.250 0.000 2.242 223 N HA 0.288 5.046 4.740 0.031 0.000 0.292 223 N C -0.854 174.731 175.510 0.126 0.000 1.125 223 N CA -0.460 52.707 53.050 0.195 0.000 0.783 223 N CB 3.386 41.984 38.487 0.185 0.000 1.558 223 N HN -0.214 nan 8.380 nan 0.000 0.472 224 V N -0.093 119.870 119.914 0.082 0.000 2.715 224 V HA 0.980 5.118 4.120 0.031 0.000 0.310 224 V C 0.608 176.724 176.094 0.036 0.000 1.054 224 V CA -0.408 61.921 62.300 0.049 0.000 0.928 224 V CB 1.625 33.460 31.823 0.021 0.000 1.007 224 V HN 0.912 nan 8.190 nan 0.000 0.437 225 G N 1.510 110.331 108.800 0.034 0.000 2.430 225 G HA2 0.803 4.782 3.960 0.031 0.000 0.300 225 G HA3 0.803 4.782 3.960 0.031 0.000 0.300 225 G C -1.648 173.249 174.900 -0.003 0.000 1.330 225 G CA 0.040 45.158 45.100 0.029 0.000 0.813 225 G HN 1.393 nan 8.290 nan 0.000 0.487 226 A N -1.189 121.617 122.820 -0.023 0.000 2.532 226 A HA 0.839 5.178 4.320 0.031 0.000 0.296 226 A C -0.142 177.384 177.584 -0.097 0.000 1.058 226 A CA 0.305 52.300 52.037 -0.070 0.000 0.729 226 A CB 1.371 20.330 19.000 -0.069 0.000 1.285 226 A HN 2.126 nan 8.150 nan 0.000 0.396 227 G N 0.192 108.911 108.800 -0.134 0.000 2.389 227 G HA2 0.606 4.585 3.960 0.031 0.000 0.328 227 G HA3 0.606 4.585 3.960 0.031 0.000 0.328 227 G C -1.005 173.765 174.900 -0.216 0.000 1.133 227 G CA -0.525 44.482 45.100 -0.155 0.000 0.891 227 G HN 1.071 nan 8.290 nan 0.000 0.485 228 V N 2.336 122.094 119.914 -0.259 0.000 2.735 228 V HA 0.472 4.611 4.120 0.031 0.000 0.310 228 V C -0.404 175.506 176.094 -0.306 0.000 1.061 228 V CA -0.643 61.430 62.300 -0.378 0.000 0.913 228 V CB 1.987 33.409 31.823 -0.668 0.000 1.005 228 V HN 0.641 nan 8.190 nan 0.000 0.428 229 I N 3.248 123.651 120.570 -0.278 0.000 2.382 229 I HA 0.384 4.573 4.170 0.031 0.000 0.286 229 I C -0.262 175.762 176.117 -0.155 0.000 1.002 229 I CA -0.115 61.078 61.300 -0.177 0.000 1.135 229 I CB 1.985 39.897 38.000 -0.147 0.000 1.288 229 I HN 0.543 nan 8.210 nan 0.000 0.448 230 T N 4.110 118.617 114.554 -0.079 0.000 2.758 230 T HA 0.142 4.510 4.350 0.031 0.000 0.285 230 T C 0.018 174.741 174.700 0.038 0.000 0.981 230 T CA -0.267 61.833 62.100 0.001 0.000 0.965 230 T CB 0.818 69.736 68.868 0.084 0.000 0.927 230 T HN 0.579 nan 8.240 nan 0.000 0.448 231 D N 2.297 122.699 120.400 0.003 0.000 2.692 231 D HA -0.203 4.455 4.640 0.031 0.000 0.233 231 D C 1.365 177.576 176.300 -0.150 0.000 1.172 231 D CA 2.099 56.084 54.000 -0.026 0.000 0.636 231 D CB -1.173 39.653 40.800 0.044 0.000 1.028 231 D HN 1.149 nan 8.370 nan 0.000 0.419 232 G N -0.686 108.009 108.800 -0.176 0.000 2.284 232 G HA2 -0.330 3.648 3.960 0.031 0.000 0.247 232 G HA3 -0.330 3.648 3.960 0.031 0.000 0.247 232 G C 0.317 175.031 174.900 -0.309 0.000 1.012 232 G CA 0.470 45.401 45.100 -0.282 0.000 0.618 232 G HN 0.640 nan 8.290 nan 0.000 0.521 233 H N -0.393 118.659 119.070 -0.031 0.000 2.482 233 H HA 0.544 5.118 4.556 0.030 0.000 0.344 233 H C 0.049 175.368 175.328 -0.016 0.000 1.151 233 H CA -0.586 55.457 56.048 -0.007 0.000 1.300 233 H CB 1.797 31.563 29.762 0.007 0.000 1.494 233 H HN 0.197 nan 8.280 nan 0.000 0.542 234 L N 3.124 124.429 121.223 0.137 0.000 2.315 234 L HA 0.090 4.449 4.340 0.031 0.000 0.283 234 L C -0.176 176.736 176.870 0.071 0.000 1.089 234 L CA -0.374 54.490 54.840 0.040 0.000 0.833 234 L CB 0.222 42.289 42.059 0.014 0.000 1.170 234 L HN 0.409 nan 8.230 nan 0.000 0.442 235 L N 5.188 126.400 121.223 -0.018 0.000 2.534 235 L HA 0.106 4.464 4.340 0.031 0.000 0.271 235 L C 0.046 176.913 176.870 -0.006 0.000 1.178 235 L CA 0.699 55.543 54.840 0.005 0.000 0.907 235 L CB 0.051 42.057 42.059 -0.089 0.000 1.164 235 L HN 0.657 nan 8.230 nan 0.000 0.482 236 H N 3.037 122.094 119.070 -0.021 0.000 3.039 236 H HA 0.881 5.455 4.556 0.031 0.000 0.234 236 H C -0.180 175.141 175.328 -0.010 0.000 1.570 236 H CA 0.094 56.130 56.048 -0.021 0.000 1.674 236 H CB 0.927 30.676 29.762 -0.022 0.000 1.538 236 H HN 0.783 nan 8.280 nan 0.000 0.963 237 A N -1.053 121.860 122.820 0.154 0.000 2.504 237 A HA 0.580 4.918 4.320 0.031 0.000 0.285 237 A C -0.280 177.347 177.584 0.073 0.000 1.261 237 A CA -0.387 51.698 52.037 0.080 0.000 0.741 237 A CB 0.352 19.376 19.000 0.040 0.000 1.327 237 A HN 0.748 nan 8.150 nan 0.000 0.441 238 G N -0.415 108.414 108.800 0.048 0.000 2.389 238 G HA2 0.481 4.460 3.960 0.031 0.000 0.287 238 G HA3 0.481 4.460 3.960 0.031 0.000 0.287 238 G C 0.532 175.453 174.900 0.035 0.000 1.126 238 G CA 1.097 46.218 45.100 0.034 0.000 1.073 238 G HN 1.874 nan 8.290 nan 0.000 0.429 239 S N 1.104 116.821 115.700 0.029 0.000 3.576 239 S HA -0.230 4.258 4.470 0.031 0.000 0.294 239 S C 1.018 175.646 174.600 0.048 0.000 1.224 239 S CA 1.645 59.861 58.200 0.028 0.000 0.866 239 S CB -1.632 61.584 63.200 0.028 0.000 1.017 239 S HN 2.520 nan 8.310 nan 0.000 0.597 240 S N -0.462 115.282 115.700 0.073 0.000 3.697 240 S HA -0.199 4.290 4.470 0.031 0.000 0.388 240 S C 0.588 175.248 174.600 0.100 0.000 0.941 240 S CA 1.442 59.731 58.200 0.148 0.000 1.247 240 S CB -1.401 61.885 63.200 0.144 0.000 0.904 240 S HN 1.249 nan 8.310 nan 0.000 0.518 241 S N 1.369 117.109 115.700 0.066 0.000 2.540 241 S HA 0.559 5.047 4.470 0.031 0.000 0.218 241 S C 0.463 175.063 174.600 0.001 0.000 0.977 241 S CA 0.350 58.574 58.200 0.039 0.000 0.918 241 S CB -0.764 62.461 63.200 0.040 0.000 0.806 241 S HN 1.004 nan 8.310 nan 0.000 0.496 242 L N -0.299 120.908 121.223 -0.027 0.000 0.585 242 L HA -0.127 4.231 4.340 0.031 0.000 0.356 242 L C -0.688 176.128 176.870 -0.090 0.000 1.005 242 L CA -0.525 54.251 54.840 -0.108 0.000 1.223 242 L CB -0.895 41.052 42.059 -0.187 0.000 0.025 242 L HN -0.136 nan 8.230 nan 0.000 0.092 243 V N 1.893 121.740 119.914 -0.112 0.000 2.368 243 V HA 0.182 4.320 4.120 0.031 0.000 0.266 243 V C 0.647 176.708 176.094 -0.055 0.000 1.045 243 V CA -0.204 62.059 62.300 -0.062 0.000 0.899 243 V CB 1.113 32.901 31.823 -0.058 0.000 1.006 243 V HN 0.600 nan 8.190 nan 0.000 0.470 244 E N 4.146 124.346 120.200 -0.001 0.000 2.364 244 E HA 0.202 4.571 4.350 0.031 0.000 0.270 244 E C 1.177 177.813 176.600 0.061 0.000 1.398 244 E CA -0.308 56.130 56.400 0.064 0.000 1.721 244 E CB 0.627 30.414 29.700 0.144 0.000 1.525 244 E HN 0.541 nan 8.360 nan 0.000 0.446 245 I N 0.541 121.124 120.570 0.022 0.000 2.567 245 I HA -0.115 4.073 4.170 0.031 0.000 0.257 245 I C 1.671 177.786 176.117 -0.003 0.000 1.184 245 I CA 0.907 62.218 61.300 0.018 0.000 1.451 245 I CB -0.546 37.461 38.000 0.011 0.000 1.089 245 I HN 0.206 nan 8.210 nan 0.000 0.441 246 G N -0.578 108.196 108.800 -0.044 0.000 2.509 246 G HA2 -0.186 3.793 3.960 0.031 0.000 0.218 246 G HA3 -0.186 3.793 3.960 0.031 0.000 0.218 246 G C 1.121 175.885 174.900 -0.226 0.000 1.124 246 G CA 0.148 45.170 45.100 -0.131 0.000 0.776 246 G HN 0.476 nan 8.290 nan 0.000 0.547 247 H N 0.701 119.770 119.070 -0.002 0.000 2.550 247 H HA 0.159 4.734 4.556 0.030 0.000 0.304 247 H C 0.363 175.660 175.328 -0.051 0.000 1.086 247 H CA 0.292 56.311 56.048 -0.049 0.000 1.089 247 H CB -0.249 29.464 29.762 -0.081 0.000 1.528 247 H HN 0.271 nan 8.280 nan 0.000 0.539 248 T N -1.737 112.845 114.554 0.046 0.000 2.771 248 T HA 0.185 4.553 4.350 0.031 0.000 0.291 248 T C 0.311 175.012 174.700 0.003 0.000 0.954 248 T CA -0.830 61.283 62.100 0.020 0.000 1.045 248 T CB 2.260 71.141 68.868 0.022 0.000 0.917 248 T HN 0.238 nan 8.240 nan 0.000 0.484 249 Q N 1.912 121.697 119.800 -0.025 0.000 2.300 249 Q HA 0.257 4.615 4.340 0.031 0.000 0.280 249 Q C 0.869 176.864 176.000 -0.008 0.000 1.033 249 Q CA -0.221 55.554 55.803 -0.046 0.000 0.903 249 Q CB 0.738 29.414 28.738 -0.104 0.000 1.195 249 Q HN 0.829 nan 8.270 nan 0.000 0.386 250 V N -0.288 119.631 119.914 0.009 0.000 3.572 250 V HA 0.310 4.448 4.120 0.031 0.000 0.260 250 V C -0.085 176.076 176.094 0.112 0.000 1.324 250 V CA 0.195 62.546 62.300 0.084 0.000 1.068 250 V CB 1.113 32.996 31.823 0.100 0.000 0.837 250 V HN 0.646 nan 8.190 nan 0.000 0.450 251 D N 1.693 122.117 120.400 0.041 0.000 2.476 251 D HA 0.416 5.074 4.640 0.031 0.000 0.251 251 D C -2.069 174.218 176.300 -0.021 0.000 1.291 251 D CA -1.910 52.131 54.000 0.068 0.000 0.939 251 D CB 2.492 43.346 40.800 0.091 0.000 1.221 251 D HN 0.095 nan 8.370 nan 0.000 0.567 252 P HA -0.102 nan 4.420 nan 0.000 0.228 252 P C 0.311 177.301 177.300 -0.518 0.000 1.151 252 P CA 0.858 63.696 63.100 -0.437 0.000 0.770 252 P CB 0.059 31.364 31.700 -0.658 0.000 0.786 253 Y N -1.113 119.270 120.300 0.138 0.000 2.500 253 Y HA 0.400 4.968 4.550 0.031 0.000 0.246 253 Y C 1.971 177.910 175.900 0.066 0.000 1.146 253 Y CA -0.524 57.627 58.100 0.085 0.000 1.230 253 Y CB -0.525 37.962 38.460 0.045 0.000 1.214 253 Y HN -0.119 nan 8.280 nan 0.000 0.526 254 G N 1.897 110.813 108.800 0.192 0.000 2.661 254 G HA2 0.102 4.081 3.960 0.031 0.000 0.272 254 G HA3 0.102 4.081 3.960 0.031 0.000 0.272 254 G C -0.048 174.915 174.900 0.105 0.000 1.296 254 G CA -0.649 44.533 45.100 0.136 0.000 0.998 254 G HN 0.343 nan 8.290 nan 0.000 0.553 255 K N -0.743 119.703 120.400 0.077 0.000 2.126 255 K HA 0.437 4.775 4.320 0.031 0.000 0.257 255 K C 0.467 177.117 176.600 0.084 0.000 1.007 255 K CA -0.808 55.511 56.287 0.054 0.000 0.928 255 K CB 0.938 33.465 32.500 0.045 0.000 1.013 255 K HN 0.408 nan 8.250 nan 0.000 0.473 256 R N 0.300 120.835 120.500 0.059 0.000 2.740 256 R HA -0.054 4.305 4.340 0.031 0.000 0.263 256 R C -0.964 175.379 176.300 0.072 0.000 0.997 256 R CA 0.356 56.501 56.100 0.075 0.000 1.108 256 R CB 0.219 30.543 30.300 0.041 0.000 0.969 256 R HN 0.764 nan 8.270 nan 0.000 0.431 257 C N 5.083 124.411 119.300 0.045 0.000 2.634 257 C HA 0.384 4.862 4.460 0.031 0.000 0.313 257 C C 1.175 176.130 174.990 -0.058 0.000 1.198 257 C CA -0.818 58.203 59.018 0.004 0.000 1.605 257 C CB 0.588 28.301 27.740 -0.046 0.000 2.196 257 C HN 0.984 nan 8.230 nan 0.000 0.486 258 Y N 2.456 122.767 120.300 0.018 0.000 2.556 258 Y HA -0.041 4.529 4.550 0.034 0.000 0.290 258 Y C 1.997 177.868 175.900 -0.048 0.000 1.149 258 Y CA 1.529 59.621 58.100 -0.012 0.000 1.329 258 Y CB -1.250 37.200 38.460 -0.017 0.000 0.975 258 Y HN 0.706 nan 8.280 nan 0.000 0.561 259 C N -0.557 118.332 119.300 -0.686 0.000 2.562 259 C HA 0.663 5.142 4.460 0.031 0.000 0.266 259 C C 2.230 177.043 174.990 -0.294 0.000 1.382 259 C CA 0.013 58.672 59.018 -0.598 0.000 1.742 259 C CB -0.691 26.396 27.740 -1.089 0.000 1.812 259 C HN 0.972 nan 8.230 nan 0.000 0.559 260 G N 0.905 109.592 108.800 -0.187 0.000 2.234 260 G HA2 -0.254 3.725 3.960 0.031 0.000 0.235 260 G HA3 -0.254 3.725 3.960 0.031 0.000 0.235 260 G C 0.248 175.102 174.900 -0.076 0.000 0.997 260 G CA 0.353 45.395 45.100 -0.097 0.000 0.623 260 G HN 0.630 nan 8.290 nan 0.000 0.514 261 N N 1.003 119.623 118.700 -0.133 0.000 2.452 261 N HA 0.553 5.311 4.740 0.031 0.000 0.296 261 N C 0.114 175.609 175.510 -0.024 0.000 1.304 261 N CA 0.719 53.696 53.050 -0.121 0.000 0.956 261 N CB 0.747 39.120 38.487 -0.191 0.000 1.106 261 N HN 0.786 nan 8.380 nan 0.000 0.555 262 H N -4.800 114.237 119.070 -0.056 0.000 3.064 262 H HA 0.446 5.020 4.556 0.030 0.000 0.352 262 H C 0.270 175.578 175.328 -0.034 0.000 1.260 262 H CA -0.199 55.828 56.048 -0.036 0.000 1.160 262 H CB 0.851 30.596 29.762 -0.028 0.000 1.879 262 H HN 0.685 nan 8.280 nan 0.000 0.544 263 G N -0.261 108.614 108.800 0.126 0.000 2.179 263 G HA2 -0.327 3.651 3.960 0.031 0.000 0.260 263 G HA3 -0.327 3.651 3.960 0.031 0.000 0.260 263 G C 0.489 175.385 174.900 -0.007 0.000 0.977 263 G CA -0.041 45.094 45.100 0.059 0.000 0.641 263 G HN 0.887 nan 8.290 nan 0.000 0.533 264 C N -0.216 119.084 119.300 -0.001 0.000 2.837 264 C HA 0.218 4.696 4.460 0.031 0.000 0.381 264 C C 2.454 177.434 174.990 -0.017 0.000 1.298 264 C CA 0.493 59.516 59.018 0.009 0.000 2.083 264 C CB -0.189 27.606 27.740 0.092 0.000 2.664 264 C HN 0.498 nan 8.230 nan 0.000 0.736 265 L N 0.421 121.628 121.223 -0.028 0.000 2.056 265 L HA -0.114 4.244 4.340 0.031 0.000 0.207 265 L C 2.590 179.434 176.870 -0.043 0.000 1.078 265 L CA 1.616 56.431 54.840 -0.041 0.000 0.749 265 L CB -0.528 41.517 42.059 -0.023 0.000 0.901 265 L HN 0.845 nan 8.230 nan 0.000 0.433 266 E N -1.219 118.943 120.200 -0.063 0.000 2.333 266 E HA -0.210 4.158 4.350 0.031 0.000 0.198 266 E C 1.669 178.287 176.600 0.031 0.000 1.007 266 E CA 1.222 57.607 56.400 -0.026 0.000 0.845 266 E CB 0.224 29.867 29.700 -0.095 0.000 0.766 266 E HN 0.332 nan 8.360 nan 0.000 0.507 267 T N -0.400 114.165 114.554 0.018 0.000 3.035 267 T HA 0.040 4.408 4.350 0.031 0.000 0.259 267 T C 1.324 176.026 174.700 0.005 0.000 1.078 267 T CA 0.335 62.456 62.100 0.034 0.000 1.132 267 T CB 0.169 69.063 68.868 0.044 0.000 0.900 267 T HN 0.061 nan 8.240 nan 0.000 0.480 268 I N 0.815 121.355 120.570 -0.049 0.000 2.729 268 I HA 0.312 4.501 4.170 0.031 0.000 0.256 268 I C 2.314 178.393 176.117 -0.064 0.000 1.115 268 I CA 0.434 61.672 61.300 -0.103 0.000 1.446 268 I CB -0.402 37.416 38.000 -0.303 0.000 1.176 268 I HN 0.094 nan 8.210 nan 0.000 0.446 269 A N -0.786 122.007 122.820 -0.045 0.000 2.218 269 A HA 0.129 4.468 4.320 0.031 0.000 0.209 269 A C 1.388 178.998 177.584 0.043 0.000 1.168 269 A CA 0.135 52.177 52.037 0.009 0.000 0.804 269 A CB -0.476 18.537 19.000 0.022 0.000 0.834 269 A HN 0.248 nan 8.150 nan 0.000 0.482 270 S N 0.067 115.800 115.700 0.055 0.000 2.546 270 S HA 0.105 4.593 4.470 0.031 0.000 0.290 270 S C 1.409 176.076 174.600 0.111 0.000 1.262 270 S CA 0.310 58.571 58.200 0.101 0.000 1.083 270 S CB 0.430 63.706 63.200 0.126 0.000 0.859 270 S HN 0.595 nan 8.310 nan 0.000 0.495 271 V N 5.016 125.003 119.914 0.122 0.000 2.311 271 V HA -0.306 3.832 4.120 0.031 0.000 0.256 271 V C 1.621 177.796 176.094 0.134 0.000 1.077 271 V CA 3.025 65.395 62.300 0.117 0.000 1.067 271 V CB -0.929 30.955 31.823 0.102 0.000 0.659 271 V HN 1.014 nan 8.190 nan 0.000 0.451 272 D N -0.529 119.979 120.400 0.180 0.000 2.092 272 D HA -0.162 4.497 4.640 0.031 0.000 0.193 272 D C 2.302 178.656 176.300 0.089 0.000 0.994 272 D CA 1.693 55.772 54.000 0.133 0.000 0.828 272 D CB -0.484 40.399 40.800 0.138 0.000 0.963 272 D HN 0.460 nan 8.370 nan 0.000 0.450 273 S N -0.061 115.691 115.700 0.086 0.000 2.400 273 S HA -0.114 4.374 4.470 0.031 0.000 0.232 273 S C 2.016 176.645 174.600 0.048 0.000 1.025 273 S CA 0.515 58.751 58.200 0.060 0.000 0.993 273 S CB -0.314 62.917 63.200 0.052 0.000 0.808 273 S HN 0.257 nan 8.310 nan 0.000 0.478 274 I N 1.309 121.911 120.570 0.053 0.000 2.127 274 I HA -0.224 3.965 4.170 0.031 0.000 0.241 274 I C 2.039 178.178 176.117 0.037 0.000 1.075 274 I CA 1.340 62.666 61.300 0.044 0.000 1.334 274 I CB -0.448 37.581 38.000 0.049 0.000 1.040 274 I HN 0.258 nan 8.210 nan 0.000 0.405 275 L N 0.042 121.290 121.223 0.041 0.000 2.093 275 L HA -0.184 4.175 4.340 0.031 0.000 0.208 275 L C 2.563 179.447 176.870 0.025 0.000 1.085 275 L CA 1.216 56.074 54.840 0.030 0.000 0.755 275 L CB -0.643 41.439 42.059 0.038 0.000 0.904 275 L HN 0.291 nan 8.230 nan 0.000 0.435 276 E N 0.669 120.889 120.200 0.033 0.000 2.077 276 E HA -0.259 4.109 4.350 0.031 0.000 0.193 276 E C 2.232 178.846 176.600 0.023 0.000 0.989 276 E CA 1.112 57.529 56.400 0.028 0.000 0.800 276 E CB 0.018 29.739 29.700 0.035 0.000 0.746 276 E HN 0.320 nan 8.360 nan 0.000 0.452 277 L N 0.397 121.635 121.223 0.025 0.000 2.093 277 L HA -0.059 4.300 4.340 0.031 0.000 0.208 277 L C 2.141 179.018 176.870 0.013 0.000 1.085 277 L CA 1.876 56.729 54.840 0.022 0.000 0.755 277 L CB -0.318 41.757 42.059 0.028 0.000 0.904 277 L HN 0.126 nan 8.230 nan 0.000 0.435 278 A N -0.957 121.868 122.820 0.008 0.000 1.872 278 A HA -0.226 4.113 4.320 0.031 0.000 0.214 278 A C 2.253 179.824 177.584 -0.021 0.000 1.187 278 A CA 1.464 53.495 52.037 -0.010 0.000 0.614 278 A CB -0.726 18.267 19.000 -0.013 0.000 0.826 278 A HN 0.527 nan 8.150 nan 0.000 0.442 279 Q N -0.418 119.376 119.800 -0.010 0.000 2.096 279 Q HA -0.157 4.201 4.340 0.031 0.000 0.204 279 Q C 1.930 177.930 176.000 -0.001 0.000 0.982 279 Q CA 1.732 57.529 55.803 -0.009 0.000 0.850 279 Q CB -0.383 28.357 28.738 0.003 0.000 0.901 279 Q HN 0.526 nan 8.270 nan 0.000 0.422 280 L N 0.019 121.246 121.223 0.007 0.000 2.056 280 L HA -0.107 4.251 4.340 0.031 0.000 0.207 280 L C 2.039 178.916 176.870 0.012 0.000 1.078 280 L CA 1.860 56.708 54.840 0.012 0.000 0.749 280 L CB -0.515 41.554 42.059 0.016 0.000 0.901 280 L HN 0.220 nan 8.230 nan 0.000 0.433 281 R N -0.510 119.993 120.500 0.005 0.000 2.235 281 R HA -0.017 4.342 4.340 0.031 0.000 0.213 281 R C 2.166 178.465 176.300 -0.003 0.000 1.059 281 R CA 0.808 56.911 56.100 0.005 0.000 0.997 281 R CB -0.225 30.076 30.300 0.002 0.000 0.884 281 R HN 0.390 nan 8.270 nan 0.000 0.462 282 L N -0.379 120.829 121.223 -0.026 0.000 2.127 282 L HA -0.035 4.324 4.340 0.031 0.000 0.203 282 L C 1.213 178.120 176.870 0.063 0.000 1.080 282 L CA 0.675 55.480 54.840 -0.058 0.000 0.768 282 L CB -0.288 41.680 42.059 -0.153 0.000 0.924 282 L HN 0.159 nan 8.230 nan 0.000 0.444 283 N N 0.155 118.881 118.700 0.044 0.000 2.513 283 N HA -0.119 4.639 4.740 0.031 0.000 0.187 283 N C 0.724 176.269 175.510 0.058 0.000 1.056 283 N CA 0.715 53.799 53.050 0.056 0.000 0.907 283 N CB -0.027 38.480 38.487 0.034 0.000 0.954 283 N HN 0.536 nan 8.380 nan 0.000 0.445 284 Q N -0.826 119.009 119.800 0.058 0.000 2.665 284 Q HA 0.281 4.640 4.340 0.031 0.000 0.176 284 Q C -0.121 175.920 176.000 0.067 0.000 1.025 284 Q CA -0.636 55.197 55.803 0.050 0.000 0.953 284 Q CB 0.246 29.005 28.738 0.035 0.000 2.143 284 Q HN -0.119 nan 8.270 nan 0.000 0.464 285 S N 0.604 116.334 115.700 0.050 0.000 3.036 285 S HA 0.450 4.938 4.470 0.031 0.000 0.301 285 S C -0.763 173.876 174.600 0.066 0.000 1.205 285 S CA -0.091 58.140 58.200 0.050 0.000 0.999 285 S CB -0.727 62.491 63.200 0.030 0.000 1.337 285 S HN 0.441 nan 8.310 nan 0.000 0.515 286 M N 3.424 123.093 119.600 0.114 0.000 2.471 286 M HA 0.380 4.879 4.480 0.031 0.000 0.284 286 M C -1.405 175.048 176.300 0.254 0.000 1.203 286 M CA -0.247 55.127 55.300 0.123 0.000 0.915 286 M CB 2.120 34.761 32.600 0.070 0.000 1.734 286 M HN 0.380 nan 8.290 nan 0.000 0.485 287 S N 1.682 117.484 115.700 0.171 0.000 2.525 287 S HA 0.837 5.326 4.470 0.031 0.000 0.290 287 S C -0.910 173.763 174.600 0.122 0.000 1.152 287 S CA -0.732 57.592 58.200 0.207 0.000 1.072 287 S CB 1.651 64.916 63.200 0.109 0.000 1.027 287 S HN 0.645 nan 8.310 nan 0.000 0.500 288 S N 1.461 117.256 115.700 0.159 0.000 2.583 288 S HA 0.205 4.694 4.470 0.031 0.000 0.294 288 S C 0.012 174.643 174.600 0.051 0.000 1.121 288 S CA -0.686 57.525 58.200 0.018 0.000 0.910 288 S CB 0.479 63.601 63.200 -0.130 0.000 1.102 288 S HN 0.673 nan 8.310 nan 0.000 0.451 289 M N 4.625 124.246 119.600 0.036 0.000 2.800 289 M HA 0.062 4.561 4.480 0.031 0.000 0.235 289 M C 1.203 177.517 176.300 0.024 0.000 1.057 289 M CA 0.744 56.067 55.300 0.040 0.000 1.066 289 M CB -0.426 32.188 32.600 0.024 0.000 1.558 289 M HN 0.647 nan 8.290 nan 0.000 0.551 290 L N -1.412 119.805 121.223 -0.009 0.000 2.664 290 L HA 0.070 4.428 4.340 0.031 0.000 0.233 290 L C 2.199 179.047 176.870 -0.036 0.000 1.113 290 L CA 0.025 54.843 54.840 -0.036 0.000 0.896 290 L CB -0.176 41.839 42.059 -0.073 0.000 1.163 290 L HN 0.265 nan 8.230 nan 0.000 0.497 291 H N 0.075 119.150 119.070 0.008 0.000 2.289 291 H HA -0.139 4.435 4.556 0.031 0.000 0.296 291 H C 1.863 177.195 175.328 0.007 0.000 1.091 291 H CA 1.785 57.838 56.048 0.008 0.000 1.274 291 H CB -0.270 29.496 29.762 0.007 0.000 1.364 291 H HN 0.477 nan 8.280 nan 0.000 0.490 292 G N 0.276 109.162 108.800 0.143 0.000 2.575 292 G HA2 -0.212 3.767 3.960 0.031 0.000 0.215 292 G HA3 -0.212 3.767 3.960 0.031 0.000 0.215 292 G C 0.811 175.741 174.900 0.049 0.000 1.262 292 G CA 0.063 45.209 45.100 0.077 0.000 0.807 292 G HN 0.379 nan 8.290 nan 0.000 0.567 293 Q N 2.117 121.939 119.800 0.035 0.000 2.274 293 Q HA 0.139 4.498 4.340 0.031 0.000 0.280 293 Q C -2.056 173.954 176.000 0.017 0.000 1.047 293 Q CA -1.537 54.279 55.803 0.021 0.000 0.907 293 Q CB 0.822 29.569 28.738 0.015 0.000 1.171 293 Q HN 0.189 nan 8.270 nan 0.000 0.381 294 P HA -0.082 nan 4.420 nan 0.000 0.267 294 P C -0.652 176.651 177.300 0.006 0.000 1.200 294 P CA 0.264 63.371 63.100 0.011 0.000 0.772 294 P CB 0.567 32.273 31.700 0.011 0.000 0.855 295 L N 2.841 124.065 121.223 0.002 0.000 2.530 295 L HA 0.127 4.485 4.340 0.031 0.000 0.273 295 L C 1.048 177.923 176.870 0.009 0.000 1.141 295 L CA 0.557 55.398 54.840 0.002 0.000 0.905 295 L CB -0.283 41.775 42.059 -0.002 0.000 1.202 295 L HN 0.549 nan 8.230 nan 0.000 0.473 296 T N -0.927 113.633 114.554 0.011 0.000 2.916 296 T HA 0.333 4.701 4.350 0.031 0.000 0.292 296 T C 1.097 175.808 174.700 0.019 0.000 1.064 296 T CA -0.947 61.163 62.100 0.017 0.000 1.011 296 T CB 1.741 70.616 68.868 0.013 0.000 1.152 296 T HN 0.047 nan 8.240 nan 0.000 0.510 297 V N 0.572 120.503 119.914 0.028 0.000 2.469 297 V HA -0.145 3.993 4.120 0.031 0.000 0.251 297 V C 2.360 178.462 176.094 0.014 0.000 1.064 297 V CA 2.339 64.655 62.300 0.026 0.000 1.066 297 V CB -0.927 30.914 31.823 0.031 0.000 0.667 297 V HN 1.031 nan 8.190 nan 0.000 0.461 298 D N 0.565 120.971 120.400 0.010 0.000 2.103 298 D HA -0.132 4.526 4.640 0.031 0.000 0.199 298 D C 2.364 178.665 176.300 0.001 0.000 0.978 298 D CA 1.502 55.504 54.000 0.003 0.000 0.829 298 D CB -0.143 40.659 40.800 0.002 0.000 0.981 298 D HN 0.512 nan 8.370 nan 0.000 0.464 299 S N -0.148 115.554 115.700 0.003 0.000 2.419 299 S HA -0.172 4.317 4.470 0.031 0.000 0.235 299 S C 2.222 176.821 174.600 -0.001 0.000 1.019 299 S CA 0.665 58.866 58.200 0.001 0.000 0.982 299 S CB -0.672 62.529 63.200 0.002 0.000 0.789 299 S HN 0.387 nan 8.310 nan 0.000 0.490 300 L N 0.564 121.787 121.223 0.000 0.000 2.044 300 L HA -0.068 4.291 4.340 0.031 0.000 0.205 300 L C 2.532 179.400 176.870 -0.003 0.000 1.075 300 L CA 1.522 56.362 54.840 -0.001 0.000 0.747 300 L CB -0.551 41.512 42.059 0.005 0.000 0.903 300 L HN 0.453 nan 8.230 nan 0.000 0.435 301 C N -0.819 118.479 119.300 -0.004 0.000 2.462 301 C HA -0.186 4.292 4.460 0.031 0.000 0.278 301 C C 2.669 177.651 174.990 -0.013 0.000 1.253 301 C CA 0.753 59.764 59.018 -0.011 0.000 1.713 301 C CB -1.064 26.666 27.740 -0.017 0.000 2.049 301 C HN 0.597 nan 8.230 nan 0.000 0.477 302 Q N 1.024 120.818 119.800 -0.010 0.000 2.217 302 Q HA -0.234 4.124 4.340 0.031 0.000 0.209 302 Q C 2.071 178.067 176.000 -0.006 0.000 0.988 302 Q CA 2.169 57.966 55.803 -0.009 0.000 0.878 302 Q CB -0.160 28.575 28.738 -0.005 0.000 0.909 302 Q HN 0.718 nan 8.270 nan 0.000 0.424 303 A N -0.588 122.229 122.820 -0.005 0.000 2.169 303 A HA 0.327 4.666 4.320 0.031 0.000 0.210 303 A C 1.989 179.571 177.584 -0.003 0.000 1.168 303 A CA 0.739 52.775 52.037 -0.003 0.000 0.813 303 A CB -0.101 18.896 19.000 -0.004 0.000 0.861 303 A HN 0.442 nan 8.150 nan 0.000 0.481 304 A N -0.123 122.694 122.820 -0.005 0.000 1.970 304 A HA 0.148 4.486 4.320 0.031 0.000 0.216 304 A C 1.970 179.550 177.584 -0.006 0.000 1.170 304 A CA 0.972 53.007 52.037 -0.004 0.000 0.645 304 A CB -0.414 18.584 19.000 -0.004 0.000 0.816 304 A HN 0.426 nan 8.150 nan 0.000 0.447 305 L N -0.930 120.287 121.223 -0.010 0.000 2.156 305 L HA -0.064 4.295 4.340 0.031 0.000 0.208 305 L C 2.374 179.239 176.870 -0.007 0.000 1.095 305 L CA 0.791 55.623 54.840 -0.013 0.000 0.770 305 L CB -0.286 41.762 42.059 -0.019 0.000 0.914 305 L HN 0.297 nan 8.230 nan 0.000 0.439 306 R N 0.088 120.586 120.500 -0.004 0.000 2.323 306 R HA 0.044 4.403 4.340 0.031 0.000 0.198 306 R C 1.266 177.568 176.300 0.002 0.000 0.988 306 R CA 0.648 56.748 56.100 -0.000 0.000 1.041 306 R CB -0.017 30.284 30.300 0.002 0.000 0.926 306 R HN 0.496 nan 8.270 nan 0.000 0.476 307 G N 1.672 110.473 108.800 0.002 0.000 2.176 307 G HA2 -0.292 3.687 3.960 0.031 0.000 0.232 307 G HA3 -0.292 3.687 3.960 0.031 0.000 0.232 307 G C -0.170 174.734 174.900 0.007 0.000 0.986 307 G CA 0.014 45.117 45.100 0.004 0.000 0.643 307 G HN 0.474 nan 8.290 nan 0.000 0.522 308 D N 0.814 121.217 120.400 0.006 0.000 2.502 308 D HA 0.215 4.873 4.640 0.031 0.000 0.249 308 D C 1.894 178.198 176.300 0.007 0.000 1.188 308 D CA 0.123 54.128 54.000 0.007 0.000 0.890 308 D CB 0.101 40.903 40.800 0.003 0.000 1.140 308 D HN 0.234 nan 8.370 nan 0.000 0.505 309 L N 3.220 124.449 121.223 0.010 0.000 2.129 309 L HA -0.228 4.130 4.340 0.031 0.000 0.212 309 L C 1.900 178.776 176.870 0.010 0.000 1.087 309 L CA 0.522 55.369 54.840 0.011 0.000 0.757 309 L CB -0.333 41.734 42.059 0.014 0.000 0.896 309 L HN 0.538 nan 8.230 nan 0.000 0.434 310 L N -0.574 120.652 121.223 0.005 0.000 2.022 310 L HA -0.074 4.285 4.340 0.031 0.000 0.204 310 L C 2.758 179.629 176.870 0.001 0.000 1.076 310 L CA 1.991 56.830 54.840 -0.000 0.000 0.749 310 L CB -1.114 40.935 42.059 -0.017 0.000 0.903 310 L HN 0.116 nan 8.230 nan 0.000 0.439 311 A N -0.606 122.212 122.820 -0.004 0.000 1.908 311 A HA -0.294 4.044 4.320 0.031 0.000 0.218 311 A C 2.360 179.949 177.584 0.008 0.000 1.181 311 A CA 2.218 54.255 52.037 0.000 0.000 0.627 311 A CB -0.619 18.379 19.000 -0.004 0.000 0.818 311 A HN 0.385 nan 8.150 nan 0.000 0.445 312 K N -0.294 120.111 120.400 0.008 0.000 1.971 312 K HA -0.252 4.087 4.320 0.031 0.000 0.221 312 K C 1.537 178.149 176.600 0.019 0.000 1.050 312 K CA 2.120 58.414 56.287 0.012 0.000 0.967 312 K CB -0.481 32.025 32.500 0.010 0.000 0.733 312 K HN 0.344 nan 8.250 nan 0.000 0.445 313 D N 0.280 120.692 120.400 0.020 0.000 2.280 313 D HA -0.168 4.490 4.640 0.031 0.000 0.206 313 D C 1.661 177.984 176.300 0.037 0.000 0.988 313 D CA 1.103 55.119 54.000 0.027 0.000 0.886 313 D CB 0.013 40.828 40.800 0.024 0.000 0.914 313 D HN 0.302 nan 8.370 nan 0.000 0.473 314 I N -0.301 120.290 120.570 0.034 0.000 2.333 314 I HA -0.139 4.050 4.170 0.031 0.000 0.246 314 I C 2.039 178.188 176.117 0.053 0.000 1.106 314 I CA 0.580 61.906 61.300 0.043 0.000 1.411 314 I CB 0.019 38.038 38.000 0.031 0.000 1.082 314 I HN 0.017 nan 8.210 nan 0.000 0.420 315 I N 0.239 120.834 120.570 0.042 0.000 2.163 315 I HA -0.253 3.936 4.170 0.031 0.000 0.240 315 I C 2.528 178.680 176.117 0.059 0.000 1.081 315 I CA 1.404 62.733 61.300 0.048 0.000 1.353 315 I CB -0.599 37.421 38.000 0.033 0.000 1.054 315 I HN 0.204 nan 8.210 nan 0.000 0.407 316 T N 0.761 115.343 114.554 0.048 0.000 2.565 316 T HA -0.252 4.117 4.350 0.031 0.000 0.265 316 T C 1.927 176.661 174.700 0.058 0.000 1.082 316 T CA 1.893 64.021 62.100 0.047 0.000 1.173 316 T CB -1.165 67.723 68.868 0.034 0.000 0.864 316 T HN 0.602 nan 8.240 nan 0.000 0.425 317 G N 1.111 109.951 108.800 0.066 0.000 2.529 317 G HA2 -0.243 3.736 3.960 0.031 0.000 0.219 317 G HA3 -0.243 3.736 3.960 0.031 0.000 0.219 317 G C 1.739 176.735 174.900 0.160 0.000 1.177 317 G CA 1.259 46.418 45.100 0.098 0.000 0.773 317 G HN 0.454 nan 8.290 nan 0.000 0.573 318 V N 1.674 121.674 119.914 0.143 0.000 2.282 318 V HA -0.170 3.968 4.120 0.031 0.000 0.249 318 V C 3.165 179.341 176.094 0.137 0.000 1.057 318 V CA 2.301 64.688 62.300 0.144 0.000 1.032 318 V CB -1.253 30.628 31.823 0.096 0.000 0.645 318 V HN 0.486 nan 8.190 nan 0.000 0.447 319 G N -0.574 108.289 108.800 0.104 0.000 2.446 319 G HA2 -0.227 3.752 3.960 0.031 0.000 0.217 319 G HA3 -0.227 3.752 3.960 0.031 0.000 0.217 319 G C 1.740 176.685 174.900 0.075 0.000 1.168 319 G CA 1.066 46.222 45.100 0.094 0.000 0.771 319 G HN 0.655 nan 8.290 nan 0.000 0.551 320 A N -0.427 122.425 122.820 0.053 0.000 2.019 320 A HA -0.058 4.280 4.320 0.031 0.000 0.219 320 A C 2.143 179.706 177.584 -0.035 0.000 1.164 320 A CA 1.614 53.648 52.037 -0.006 0.000 0.644 320 A CB -0.578 18.393 19.000 -0.048 0.000 0.805 320 A HN 0.468 nan 8.150 nan 0.000 0.449 321 H N -1.013 118.076 119.070 0.032 0.000 2.436 321 H HA 0.020 4.594 4.556 0.031 0.000 0.294 321 H C 2.091 177.434 175.328 0.025 0.000 1.048 321 H CA 1.758 57.824 56.048 0.030 0.000 1.353 321 H CB 0.202 29.984 29.762 0.034 0.000 1.414 321 H HN 0.319 nan 8.280 nan 0.000 0.536 322 V N -0.324 119.679 119.914 0.149 0.000 2.649 322 V HA -0.037 4.102 4.120 0.031 0.000 0.248 322 V C 2.645 178.769 176.094 0.051 0.000 1.054 322 V CA 1.270 63.622 62.300 0.086 0.000 1.073 322 V CB -0.639 31.225 31.823 0.067 0.000 0.699 322 V HN 0.427 nan 8.190 nan 0.000 0.463 323 G N -0.019 108.806 108.800 0.042 0.000 2.402 323 G HA2 -0.256 3.722 3.960 0.031 0.000 0.216 323 G HA3 -0.256 3.722 3.960 0.031 0.000 0.216 323 G C 1.698 176.608 174.900 0.017 0.000 1.162 323 G CA 0.813 45.926 45.100 0.021 0.000 0.777 323 G HN 0.397 nan 8.290 nan 0.000 0.539 324 R N -0.431 120.077 120.500 0.014 0.000 2.083 324 R HA -0.068 4.290 4.340 0.031 0.000 0.237 324 R C 2.478 178.793 176.300 0.024 0.000 1.137 324 R CA 1.394 57.500 56.100 0.010 0.000 0.951 324 R CB -0.330 29.966 30.300 -0.006 0.000 0.851 324 R HN 0.349 nan 8.270 nan 0.000 0.434 325 I N 0.322 120.915 120.570 0.037 0.000 2.163 325 I HA -0.242 3.946 4.170 0.031 0.000 0.240 325 I C 2.010 178.148 176.117 0.035 0.000 1.081 325 I CA 0.884 62.208 61.300 0.039 0.000 1.353 325 I CB -0.358 37.669 38.000 0.046 0.000 1.054 325 I HN 0.196 nan 8.210 nan 0.000 0.407 326 L N 0.383 121.622 121.223 0.027 0.000 2.349 326 L HA -0.116 4.242 4.340 0.031 0.000 0.220 326 L C 2.319 179.205 176.870 0.026 0.000 1.130 326 L CA 1.739 56.590 54.840 0.019 0.000 0.791 326 L CB -1.023 41.035 42.059 -0.002 0.000 0.918 326 L HN 0.261 nan 8.230 nan 0.000 0.444 327 A N -0.807 122.028 122.820 0.026 0.000 1.930 327 A HA -0.062 4.276 4.320 0.031 0.000 0.215 327 A C 2.178 179.784 177.584 0.038 0.000 1.176 327 A CA 1.412 53.467 52.037 0.030 0.000 0.632 327 A CB -0.496 18.518 19.000 0.024 0.000 0.819 327 A HN 0.434 nan 8.150 nan 0.000 0.445 328 I N -0.987 119.603 120.570 0.033 0.000 2.439 328 I HA -0.200 3.988 4.170 0.031 0.000 0.251 328 I C 2.471 178.605 176.117 0.029 0.000 1.139 328 I CA 1.078 62.394 61.300 0.026 0.000 1.438 328 I CB -0.338 37.673 38.000 0.019 0.000 1.085 328 I HN 0.279 nan 8.210 nan 0.000 0.427 329 M N -0.007 119.633 119.600 0.067 0.000 2.319 329 M HA -0.111 4.387 4.480 0.031 0.000 0.265 329 M C 2.305 178.694 176.300 0.149 0.000 1.068 329 M CA 1.117 56.509 55.300 0.155 0.000 1.118 329 M CB -0.129 32.587 32.600 0.193 0.000 1.395 329 M HN 0.078 nan 8.290 nan 0.000 0.435 330 V N 0.783 120.740 119.914 0.072 0.000 2.307 330 V HA -0.241 3.898 4.120 0.031 0.000 0.245 330 V C 1.904 177.988 176.094 -0.016 0.000 1.045 330 V CA 1.595 63.917 62.300 0.037 0.000 1.024 330 V CB -0.709 31.144 31.823 0.050 0.000 0.651 330 V HN 0.482 nan 8.190 nan 0.000 0.449 331 N N -0.123 118.597 118.700 0.034 0.000 2.381 331 N HA -0.048 4.711 4.740 0.031 0.000 0.182 331 N C 1.608 177.063 175.510 -0.091 0.000 1.025 331 N CA 1.102 54.191 53.050 0.064 0.000 0.888 331 N CB -0.083 38.455 38.487 0.085 0.000 0.965 331 N HN 0.419 nan 8.380 nan 0.000 0.438 332 L N -1.642 119.454 121.223 -0.213 0.000 2.253 332 L HA 0.131 4.489 4.340 0.031 0.000 0.205 332 L C 0.968 177.436 176.870 -0.670 0.000 1.078 332 L CA 0.640 55.182 54.840 -0.497 0.000 0.805 332 L CB 0.014 41.617 42.059 -0.759 0.000 0.963 332 L HN -0.005 nan 8.230 nan 0.000 0.459 333 F N -1.881 117.982 119.950 -0.145 0.000 2.724 333 F HA 0.191 4.737 4.527 0.031 0.000 0.306 333 F C 0.865 176.514 175.800 -0.252 0.000 1.100 333 F CA -0.448 57.455 58.000 -0.162 0.000 1.255 333 F CB -0.105 38.827 39.000 -0.113 0.000 1.072 333 F HN 0.043 nan 8.300 nan 0.000 0.589 334 N N 2.708 121.265 118.700 -0.238 0.000 2.684 334 N HA -0.150 4.608 4.740 0.031 0.000 0.284 334 N C -2.566 172.837 175.510 -0.178 0.000 1.067 334 N CA -0.480 52.318 53.050 -0.420 0.000 0.791 334 N CB -0.057 37.842 38.487 -0.980 0.000 0.934 334 N HN 0.076 nan 8.380 nan 0.000 0.566 335 P HA -0.020 nan 4.420 nan 0.000 0.273 335 P C 0.096 177.357 177.300 -0.065 0.000 1.250 335 P CA 0.017 63.080 63.100 -0.063 0.000 0.793 335 P CB 0.670 32.334 31.700 -0.060 0.000 1.011 336 Q N -0.435 119.324 119.800 -0.069 0.000 2.200 336 Q HA 0.070 4.428 4.340 0.031 0.000 0.197 336 Q C 0.893 176.864 176.000 -0.049 0.000 0.953 336 Q CA 0.963 56.730 55.803 -0.061 0.000 0.851 336 Q CB 0.322 29.019 28.738 -0.070 0.000 0.938 336 Q HN 0.414 nan 8.270 nan 0.000 0.488 337 K N 0.513 120.871 120.400 -0.070 0.000 2.375 337 K HA 0.515 4.853 4.320 0.031 0.000 0.249 337 K C -1.556 174.981 176.600 -0.105 0.000 0.942 337 K CA -0.436 55.803 56.287 -0.079 0.000 0.806 337 K CB 1.588 34.036 32.500 -0.086 0.000 1.227 337 K HN -0.046 nan 8.250 nan 0.000 0.430 338 I N 5.108 125.605 120.570 -0.122 0.000 2.418 338 I HA 0.303 4.492 4.170 0.031 0.000 0.287 338 I C -0.942 175.054 176.117 -0.203 0.000 1.008 338 I CA -0.839 60.369 61.300 -0.153 0.000 1.104 338 I CB 1.543 39.458 38.000 -0.142 0.000 1.264 338 I HN 0.429 nan 8.210 nan 0.000 0.438 339 L N 6.683 127.776 121.223 -0.217 0.000 2.334 339 L HA 0.577 4.935 4.340 0.031 0.000 0.276 339 L C -0.637 176.076 176.870 -0.261 0.000 1.014 339 L CA -0.787 53.907 54.840 -0.243 0.000 0.815 339 L CB 2.003 43.916 42.059 -0.243 0.000 1.268 339 L HN 0.354 nan 8.230 nan 0.000 0.428 340 I N 1.821 122.246 120.570 -0.242 0.000 2.441 340 I HA 0.467 4.655 4.170 0.031 0.000 0.295 340 I C 0.421 176.493 176.117 -0.075 0.000 0.994 340 I CA -0.375 60.836 61.300 -0.148 0.000 1.144 340 I CB 1.681 39.639 38.000 -0.070 0.000 1.314 340 I HN 0.642 nan 8.210 nan 0.000 0.445 341 G N 3.242 111.971 108.800 -0.119 0.000 2.938 341 G HA2 0.511 4.490 3.960 0.031 0.000 0.308 341 G HA3 0.511 4.490 3.960 0.031 0.000 0.308 341 G C -0.709 174.300 174.900 0.181 0.000 1.422 341 G CA -0.309 44.776 45.100 -0.025 0.000 1.071 341 G HN 0.593 nan 8.290 nan 0.000 0.530 342 S N 2.140 117.962 115.700 0.203 0.000 2.552 342 S HA 0.623 5.111 4.470 0.031 0.000 0.272 342 S C -2.458 172.207 174.600 0.109 0.000 1.150 342 S CA -0.747 57.542 58.200 0.148 0.000 0.849 342 S CB 2.028 65.295 63.200 0.113 0.000 1.113 342 S HN 0.062 nan 8.310 nan 0.000 0.458 343 P HA 0.143 nan 4.420 nan 0.000 0.226 343 P C 1.063 178.377 177.300 0.023 0.000 1.153 343 P CA 0.591 63.709 63.100 0.030 0.000 0.777 343 P CB 0.034 31.736 31.700 0.002 0.000 0.794 344 L N -0.659 120.585 121.223 0.036 0.000 2.551 344 L HA -0.063 4.296 4.340 0.031 0.000 0.228 344 L C 1.857 178.716 176.870 -0.017 0.000 1.153 344 L CA 1.136 55.989 54.840 0.022 0.000 0.851 344 L CB -0.935 41.153 42.059 0.049 0.000 0.959 344 L HN 0.114 nan 8.230 nan 0.000 0.451 345 S N -1.528 114.168 115.700 -0.007 0.000 2.603 345 S HA -0.027 4.461 4.470 0.031 0.000 0.229 345 S C 1.704 176.191 174.600 -0.189 0.000 0.972 345 S CA 0.136 58.254 58.200 -0.137 0.000 0.935 345 S CB -0.113 63.108 63.200 0.035 0.000 0.769 345 S HN 0.275 nan 8.310 nan 0.000 0.536 346 K N 1.706 122.046 120.400 -0.100 0.000 2.228 346 K HA 0.241 4.579 4.320 0.031 0.000 0.202 346 K C 1.129 177.662 176.600 -0.112 0.000 1.051 346 K CA 0.942 57.178 56.287 -0.083 0.000 0.960 346 K CB -0.359 32.116 32.500 -0.041 0.000 0.743 346 K HN 0.499 nan 8.250 nan 0.000 0.458 347 A N 0.518 123.263 122.820 -0.125 0.000 3.106 347 A HA 0.483 4.822 4.320 0.031 0.000 0.306 347 A C 1.359 178.823 177.584 -0.201 0.000 1.192 347 A CA 0.318 52.285 52.037 -0.117 0.000 0.994 347 A CB -0.095 18.868 19.000 -0.061 0.000 1.107 347 A HN 0.126 nan 8.150 nan 0.000 0.585 348 A N 0.481 123.084 122.820 -0.362 0.000 1.877 348 A HA -0.151 4.187 4.320 0.031 0.000 0.216 348 A C 1.402 178.771 177.584 -0.359 0.000 1.186 348 A CA 1.663 53.270 52.037 -0.717 0.000 0.620 348 A CB -0.359 18.015 19.000 -1.044 0.000 0.822 348 A HN 0.512 nan 8.150 nan 0.000 0.443 349 D N -0.492 119.791 120.400 -0.195 0.000 2.407 349 D HA -0.039 4.620 4.640 0.031 0.000 0.234 349 D C 1.286 177.567 176.300 -0.032 0.000 1.029 349 D CA 0.875 54.831 54.000 -0.075 0.000 0.937 349 D CB -0.066 40.702 40.800 -0.053 0.000 0.882 349 D HN 0.630 nan 8.370 nan 0.000 0.531 350 I N -1.061 119.484 120.570 -0.041 0.000 4.197 350 I HA -0.007 4.181 4.170 0.031 0.000 0.307 350 I C 2.055 178.194 176.117 0.036 0.000 1.236 350 I CA -0.132 61.167 61.300 -0.000 0.000 1.321 350 I CB 0.555 38.550 38.000 -0.008 0.000 1.309 350 I HN -0.077 nan 8.210 nan 0.000 0.450 351 L N 1.010 122.255 121.223 0.036 0.000 1.995 351 L HA -0.056 4.303 4.340 0.031 0.000 0.206 351 L C 2.585 179.621 176.870 0.276 0.000 1.098 351 L CA 1.693 56.617 54.840 0.141 0.000 0.762 351 L CB -0.418 41.737 42.059 0.160 0.000 0.900 351 L HN 0.096 nan 8.230 nan 0.000 0.441 352 F N 0.391 120.347 119.950 0.009 0.000 2.063 352 F HA -0.305 4.240 4.527 0.030 0.000 0.297 352 F C -0.179 175.624 175.800 0.006 0.000 1.099 352 F CA 1.223 59.227 58.000 0.006 0.000 1.220 352 F CB -1.979 37.024 39.000 0.005 0.000 0.972 352 F HN 0.264 nan 8.300 nan 0.000 0.487 353 P HA -0.118 nan 4.420 nan 0.000 0.221 353 P C 1.426 178.773 177.300 0.078 0.000 1.145 353 P CA 1.053 64.220 63.100 0.112 0.000 0.795 353 P CB 0.014 31.762 31.700 0.081 0.000 0.775 354 V N -0.885 119.082 119.914 0.088 0.000 2.426 354 V HA -0.104 4.034 4.120 0.031 0.000 0.242 354 V C 2.251 178.375 176.094 0.051 0.000 1.036 354 V CA 1.118 63.455 62.300 0.060 0.000 1.044 354 V CB -0.812 31.048 31.823 0.062 0.000 0.688 354 V HN 0.022 nan 8.190 nan 0.000 0.462 355 I N 0.342 120.952 120.570 0.065 0.000 2.264 355 I HA -0.226 3.963 4.170 0.031 0.000 0.248 355 I C 2.476 178.599 176.117 0.010 0.000 1.111 355 I CA 1.565 62.884 61.300 0.032 0.000 1.382 355 I CB -0.330 37.678 38.000 0.012 0.000 1.060 355 I HN 0.268 nan 8.210 nan 0.000 0.418 356 S N -0.004 115.705 115.700 0.014 0.000 2.406 356 S HA -0.197 4.291 4.470 0.031 0.000 0.228 356 S C 1.627 176.235 174.600 0.013 0.000 1.020 356 S CA 1.372 59.575 58.200 0.005 0.000 0.965 356 S CB -0.267 62.939 63.200 0.011 0.000 0.798 356 S HN 0.460 nan 8.310 nan 0.000 0.488 357 D N 1.155 121.567 120.400 0.020 0.000 2.224 357 D HA 0.006 4.664 4.640 0.031 0.000 0.205 357 D C 1.798 178.105 176.300 0.012 0.000 0.965 357 D CA 0.903 54.912 54.000 0.016 0.000 0.852 357 D CB -0.040 40.772 40.800 0.019 0.000 0.947 357 D HN 0.249 nan 8.370 nan 0.000 0.494 358 S N -0.743 114.964 115.700 0.011 0.000 2.425 358 S HA 0.079 4.567 4.470 0.031 0.000 0.225 358 S C 2.050 176.655 174.600 0.010 0.000 1.024 358 S CA 0.069 58.273 58.200 0.007 0.000 0.951 358 S CB 0.116 63.319 63.200 0.005 0.000 0.796 358 S HN 0.304 nan 8.310 nan 0.000 0.498 359 I N 1.651 122.228 120.570 0.011 0.000 2.133 359 I HA -0.147 4.042 4.170 0.031 0.000 0.238 359 I C 2.531 178.662 176.117 0.023 0.000 1.074 359 I CA 1.221 62.531 61.300 0.016 0.000 1.342 359 I CB -0.244 37.761 38.000 0.009 0.000 1.053 359 I HN 0.160 nan 8.210 nan 0.000 0.404 360 R N 0.204 120.716 120.500 0.019 0.000 2.189 360 R HA -0.135 4.224 4.340 0.031 0.000 0.218 360 R C 2.010 178.317 176.300 0.013 0.000 1.074 360 R CA 0.812 56.924 56.100 0.019 0.000 0.991 360 R CB -0.163 30.146 30.300 0.015 0.000 0.883 360 R HN 0.343 nan 8.270 nan 0.000 0.457 361 Q N 0.241 120.047 119.800 0.009 0.000 2.424 361 Q HA -0.023 4.335 4.340 0.031 0.000 0.204 361 Q C 0.178 176.181 176.000 0.004 0.000 0.933 361 Q CA 0.800 56.606 55.803 0.005 0.000 0.929 361 Q CB 0.752 29.491 28.738 0.002 0.000 1.037 361 Q HN 0.388 nan 8.270 nan 0.000 0.511 362 Q N -1.451 118.354 119.800 0.009 0.000 2.366 362 Q HA 0.687 5.045 4.340 0.031 0.000 0.356 362 Q C -0.979 175.034 176.000 0.021 0.000 0.866 362 Q CA -0.499 55.310 55.803 0.010 0.000 1.109 362 Q CB 1.260 30.002 28.738 0.006 0.000 1.361 362 Q HN 0.049 nan 8.270 nan 0.000 0.404 363 A N 0.955 123.791 122.820 0.027 0.000 2.589 363 A HA 0.417 4.755 4.320 0.031 0.000 0.296 363 A C -0.945 176.662 177.584 0.038 0.000 1.062 363 A CA -0.796 51.272 52.037 0.052 0.000 0.686 363 A CB 1.410 20.457 19.000 0.078 0.000 1.282 363 A HN 0.352 nan 8.150 nan 0.000 0.404 364 L N 3.064 124.311 121.223 0.039 0.000 2.865 364 L HA 0.024 4.383 4.340 0.031 0.000 0.283 364 L C -1.371 175.439 176.870 -0.100 0.000 1.101 364 L CA -0.306 54.477 54.840 -0.094 0.000 1.061 364 L CB -0.155 41.735 42.059 -0.281 0.000 1.437 364 L HN 0.475 nan 8.230 nan 0.000 0.460 365 P HA -0.335 nan 4.420 nan 0.000 0.218 365 P C 1.475 178.755 177.300 -0.032 0.000 1.132 365 P CA 2.811 65.889 63.100 -0.037 0.000 0.968 365 P CB 0.130 31.801 31.700 -0.048 0.000 0.783 366 A N -2.520 120.236 122.820 -0.107 0.000 2.104 366 A HA -0.273 4.066 4.320 0.031 0.000 0.223 366 A C 1.936 179.562 177.584 0.069 0.000 1.164 366 A CA 2.070 54.062 52.037 -0.074 0.000 0.659 366 A CB -1.709 17.180 19.000 -0.184 0.000 0.808 366 A HN 0.234 nan 8.150 nan 0.000 0.465 367 Y N -0.105 120.205 120.300 0.017 0.000 2.389 367 Y HA 0.014 4.583 4.550 0.031 0.000 0.292 367 Y C 2.825 178.742 175.900 0.028 0.000 1.117 367 Y CA 0.564 58.675 58.100 0.018 0.000 1.195 367 Y CB -0.644 37.820 38.460 0.007 0.000 1.076 367 Y HN 0.417 nan 8.280 nan 0.000 0.548 368 S N -1.280 114.531 115.700 0.185 0.000 2.548 368 S HA 0.010 4.499 4.470 0.031 0.000 0.215 368 S C 1.362 176.010 174.600 0.080 0.000 0.976 368 S CA 0.089 58.355 58.200 0.109 0.000 0.908 368 S CB 0.007 63.253 63.200 0.076 0.000 0.781 368 S HN 0.179 nan 8.310 nan 0.000 0.519 369 Q N 1.024 120.875 119.800 0.086 0.000 2.247 369 Q HA 0.221 4.580 4.340 0.031 0.000 0.205 369 Q C 0.142 176.189 176.000 0.079 0.000 0.896 369 Q CA 0.278 56.115 55.803 0.056 0.000 0.950 369 Q CB -0.188 28.572 28.738 0.036 0.000 1.054 369 Q HN 0.633 nan 8.270 nan 0.000 0.482 370 H N -1.240 117.847 119.070 0.028 0.000 3.377 370 H HA 0.259 4.833 4.556 0.031 0.000 0.243 370 H C -1.437 173.899 175.328 0.012 0.000 1.264 370 H CA -0.275 55.785 56.048 0.020 0.000 1.021 370 H CB 0.091 29.868 29.762 0.025 0.000 2.781 370 H HN 0.151 nan 8.280 nan 0.000 0.643 371 I N 2.099 122.749 120.570 0.132 0.000 2.530 371 I HA 0.395 4.583 4.170 0.031 0.000 0.297 371 I C -0.490 175.644 176.117 0.027 0.000 1.011 371 I CA -0.333 61.011 61.300 0.073 0.000 1.107 371 I CB 1.609 39.636 38.000 0.045 0.000 1.285 371 I HN 0.214 nan 8.210 nan 0.000 0.436 372 S N 5.795 121.496 115.700 0.001 0.000 2.614 372 S HA 0.659 5.147 4.470 0.031 0.000 0.288 372 S C -0.923 173.626 174.600 -0.085 0.000 1.137 372 S CA -0.818 57.366 58.200 -0.027 0.000 0.992 372 S CB 1.253 64.450 63.200 -0.005 0.000 1.026 372 S HN 0.339 nan 8.310 nan 0.000 0.486 373 V N 3.326 123.158 119.914 -0.137 0.000 2.530 373 V HA 0.419 4.557 4.120 0.031 0.000 0.282 373 V C 0.113 175.996 176.094 -0.352 0.000 1.048 373 V CA 0.142 62.258 62.300 -0.307 0.000 0.997 373 V CB 0.498 32.067 31.823 -0.423 0.000 0.987 373 V HN 0.992 nan 8.190 nan 0.000 0.477 374 E N 2.219 122.192 120.200 -0.378 0.000 2.408 374 E HA 0.510 4.879 4.350 0.031 0.000 0.275 374 E C -1.008 175.482 176.600 -0.184 0.000 0.935 374 E CA -0.786 55.506 56.400 -0.180 0.000 0.775 374 E CB 2.129 31.797 29.700 -0.054 0.000 1.277 374 E HN 0.697 nan 8.360 nan 0.000 0.455 375 S N -0.087 115.696 115.700 0.138 0.000 2.586 375 S HA 0.301 4.789 4.470 0.031 0.000 0.274 375 S C 0.382 175.041 174.600 0.099 0.000 1.281 375 S CA -0.849 57.476 58.200 0.209 0.000 1.035 375 S CB 0.803 64.252 63.200 0.416 0.000 0.962 375 S HN 0.547 nan 8.310 nan 0.000 0.512 376 T N 0.175 114.767 114.554 0.063 0.000 2.940 376 T HA 0.144 4.513 4.350 0.031 0.000 0.309 376 T C 0.394 175.218 174.700 0.207 0.000 1.056 376 T CA -0.216 61.925 62.100 0.069 0.000 1.137 376 T CB 0.136 69.023 68.868 0.031 0.000 0.976 376 T HN 0.711 nan 8.240 nan 0.000 0.547 377 Q N 0.995 120.926 119.800 0.217 0.000 2.246 377 Q HA 0.453 4.811 4.340 0.031 0.000 0.202 377 Q C -0.675 175.621 176.000 0.493 0.000 0.883 377 Q CA -0.015 55.948 55.803 0.265 0.000 0.952 377 Q CB 0.083 28.921 28.738 0.166 0.000 1.078 377 Q HN 0.772 nan 8.270 nan 0.000 0.493 378 F N -2.362 117.757 119.950 0.281 0.000 2.664 378 F HA 0.529 5.077 4.527 0.034 0.000 0.329 378 F C 0.582 176.544 175.800 0.269 0.000 1.090 378 F CA -0.839 57.331 58.000 0.283 0.000 0.978 378 F CB 1.999 41.224 39.000 0.375 0.000 1.378 378 F HN -0.087 nan 8.300 nan 0.000 0.495 379 S N 0.564 116.188 115.700 -0.127 0.000 3.972 379 S HA 0.374 4.862 4.470 0.031 0.000 0.190 379 S C -1.381 172.783 174.600 -0.726 0.000 1.204 379 S CA -0.179 57.785 58.200 -0.394 0.000 1.285 379 S CB 0.508 63.565 63.200 -0.239 0.000 1.849 379 S HN 0.727 nan 8.310 nan 0.000 0.762 385 A N 0.105 122.992 122.820 0.111 0.000 2.435 385 A HA 0.347 4.685 4.320 0.031 0.000 0.686 385 A C 0.471 178.185 177.584 0.217 0.000 0.138 385 A CA 0.722 52.861 52.037 0.169 0.000 0.024 385 A CB -2.019 17.091 19.000 0.184 0.000 3.974 385 A HN 1.943 nan 8.150 nan 0.000 0.548 386 G N 1.929 110.854 108.800 0.209 0.000 3.051 386 G HA2 0.120 4.099 3.960 0.031 0.000 0.266 386 G HA3 0.120 4.099 3.960 0.031 0.000 0.266 386 G C 1.584 176.518 174.900 0.056 0.000 1.060 386 G CA 3.633 48.796 45.100 0.106 0.000 0.757 386 G HN 2.952 nan 8.290 nan 0.000 0.926 387 A N -1.340 121.506 122.820 0.044 0.000 1.700 387 A HA -0.214 4.125 4.320 0.031 0.000 0.225 387 A C 2.602 180.173 177.584 -0.022 0.000 0.353 387 A CA 4.000 56.078 52.037 0.069 0.000 1.097 387 A CB -1.789 17.333 19.000 0.203 0.000 1.457 387 A HN 2.182 nan 8.150 nan 0.000 0.714 388 A N -1.868 120.945 122.820 -0.013 0.000 1.898 388 A HA 0.323 4.661 4.320 0.031 0.000 0.214 388 A C 1.907 179.428 177.584 -0.105 0.000 1.183 388 A CA 1.850 53.873 52.037 -0.022 0.000 0.622 388 A CB -0.424 18.576 19.000 0.000 0.000 0.824 388 A HN 0.990 nan 8.150 nan 0.000 0.444 389 L N -0.416 120.703 121.223 -0.175 0.000 2.313 389 L HA -0.017 4.342 4.340 0.031 0.000 0.214 389 L C 2.047 178.559 176.870 -0.597 0.000 1.119 389 L CA 0.786 55.419 54.840 -0.345 0.000 0.809 389 L CB -0.313 41.550 42.059 -0.326 0.000 0.933 389 L HN 0.199 nan 8.230 nan 0.000 0.449 390 V N -1.418 118.216 119.914 -0.467 0.000 2.825 390 V HA -0.051 4.088 4.120 0.031 0.000 0.246 390 V C 2.272 178.105 176.094 -0.434 0.000 1.068 390 V CA 0.946 62.965 62.300 -0.469 0.000 1.088 390 V CB -0.440 31.026 31.823 -0.595 0.000 0.733 390 V HN 0.332 nan 8.190 nan 0.000 0.468 391 K N 0.666 120.811 120.400 -0.424 0.000 2.031 391 K HA -0.157 4.182 4.320 0.031 0.000 0.205 391 K C 1.960 177.853 176.600 -1.179 0.000 1.049 391 K CA 1.705 57.573 56.287 -0.700 0.000 0.939 391 K CB -0.286 31.999 32.500 -0.359 0.000 0.717 391 K HN 0.396 nan 8.250 nan 0.000 0.438 392 D N 0.799 120.864 120.400 -0.557 0.000 2.263 392 D HA -0.103 4.555 4.640 0.031 0.000 0.208 392 D C 1.595 177.722 176.300 -0.288 0.000 0.971 392 D CA 0.984 54.837 54.000 -0.244 0.000 0.867 392 D CB 0.109 40.887 40.800 -0.037 0.000 0.929 392 D HN 0.203 nan 8.370 nan 0.000 0.492 393 A N -0.246 122.332 122.820 -0.405 0.000 2.014 393 A HA -0.050 4.288 4.320 0.031 0.000 0.218 393 A C 2.085 179.504 177.584 -0.274 0.000 1.163 393 A CA 0.903 52.743 52.037 -0.328 0.000 0.652 393 A CB -0.322 18.445 19.000 -0.389 0.000 0.808 393 A HN 0.212 nan 8.150 nan 0.000 0.449 394 M N -1.577 117.778 119.600 -0.408 0.000 2.248 394 M HA 0.037 4.535 4.480 0.031 0.000 0.265 394 M C 1.995 178.208 176.300 -0.145 0.000 1.079 394 M CA 1.051 56.103 55.300 -0.413 0.000 1.150 394 M CB -1.449 30.810 32.600 -0.569 0.000 1.366 394 M HN 0.630 nan 8.290 nan 0.000 0.433 395 Y N 0.180 120.461 120.300 -0.032 0.000 2.181 395 Y HA -0.259 4.310 4.550 0.032 0.000 0.288 395 Y C 2.361 178.246 175.900 -0.026 0.000 1.146 395 Y CA 1.094 59.205 58.100 0.018 0.000 1.164 395 Y CB -0.646 37.831 38.460 0.029 0.000 0.982 395 Y HN 0.341 nan 8.280 nan 0.000 0.515 396 N N -0.228 118.521 118.700 0.081 0.000 2.381 396 N HA -0.068 4.691 4.740 0.031 0.000 0.182 396 N C 1.474 176.978 175.510 -0.009 0.000 1.025 396 N CA 1.423 54.477 53.050 0.006 0.000 0.888 396 N CB -0.165 38.293 38.487 -0.048 0.000 0.965 396 N HN 0.405 nan 8.380 nan 0.000 0.438 397 G N -1.424 107.359 108.800 -0.027 0.000 2.175 397 G HA2 -0.347 3.632 3.960 0.031 0.000 0.244 397 G HA3 -0.347 3.632 3.960 0.031 0.000 0.244 397 G C 1.157 176.017 174.900 -0.067 0.000 0.982 397 G CA 1.010 46.080 45.100 -0.050 0.000 0.641 397 G HN 0.589 nan 8.290 nan 0.000 0.527 398 S N 0.019 115.683 115.700 -0.060 0.000 2.351 398 S HA -0.007 4.481 4.470 0.031 0.000 0.220 398 S C 2.215 176.786 174.600 -0.049 0.000 1.035 398 S CA 1.801 59.977 58.200 -0.040 0.000 1.031 398 S CB -0.359 62.829 63.200 -0.019 0.000 0.928 398 S HN 1.043 nan 8.310 nan 0.000 0.433 399 L N 0.873 122.052 121.223 -0.073 0.000 2.156 399 L HA 0.279 4.637 4.340 0.031 0.000 0.208 399 L C 2.264 179.032 176.870 -0.170 0.000 1.095 399 L CA 1.142 55.929 54.840 -0.088 0.000 0.770 399 L CB -0.882 41.124 42.059 -0.089 0.000 0.914 399 L HN 0.410 nan 8.230 nan 0.000 0.439 400 L N -0.624 120.467 121.223 -0.220 0.000 2.017 400 L HA -0.193 4.166 4.340 0.031 0.000 0.208 400 L C 2.353 179.124 176.870 -0.166 0.000 1.073 400 L CA 1.796 56.471 54.840 -0.276 0.000 0.745 400 L CB -0.376 41.513 42.059 -0.283 0.000 0.894 400 L HN 0.247 nan 8.230 nan 0.000 0.432 401 I N -0.725 119.784 120.570 -0.101 0.000 2.226 401 I HA -0.320 3.869 4.170 0.031 0.000 0.245 401 I C 2.513 178.603 176.117 -0.044 0.000 1.100 401 I CA 1.358 62.624 61.300 -0.057 0.000 1.374 401 I CB -0.347 37.632 38.000 -0.035 0.000 1.057 401 I HN 0.279 nan 8.210 nan 0.000 0.413 402 R N 0.039 120.511 120.500 -0.047 0.000 2.189 402 R HA -0.108 4.251 4.340 0.031 0.000 0.223 402 R C 1.859 178.147 176.300 -0.020 0.000 1.092 402 R CA 0.908 56.994 56.100 -0.023 0.000 0.989 402 R CB -0.149 30.141 30.300 -0.016 0.000 0.876 402 R HN 0.226 nan 8.270 nan 0.000 0.457 403 L N 0.152 121.325 121.223 -0.084 0.000 2.509 403 L HA 0.066 4.425 4.340 0.031 0.000 0.222 403 L C 1.691 178.538 176.870 -0.039 0.000 1.123 403 L CA 0.941 55.709 54.840 -0.120 0.000 0.856 403 L CB 0.088 41.898 42.059 -0.415 0.000 0.985 403 L HN 0.126 nan 8.230 nan 0.000 0.456 404 L N -1.436 119.770 121.223 -0.028 0.000 2.313 404 L HA -0.128 4.230 4.340 0.031 0.000 0.214 404 L C 1.693 178.603 176.870 0.068 0.000 1.119 404 L CA 0.605 55.457 54.840 0.020 0.000 0.809 404 L CB -0.076 41.982 42.059 -0.002 0.000 0.933 404 L HN 0.300 nan 8.230 nan 0.000 0.449 405 Q N -0.621 119.218 119.800 0.066 0.000 2.356 405 Q HA 0.199 4.557 4.340 0.031 0.000 0.205 405 Q C 0.753 176.817 176.000 0.107 0.000 0.901 405 Q CA 0.224 56.072 55.803 0.074 0.000 0.938 405 Q CB 0.818 29.586 28.738 0.049 0.000 1.081 405 Q HN 0.348 nan 8.270 nan 0.000 0.517 406 G N 0.000 108.897 108.800 0.162 0.000 5.446 406 G HA2 0.000 3.978 3.960 0.031 0.000 0.244 406 G HA3 0.000 3.978 3.960 0.031 0.000 0.244 406 G CA 0.000 45.234 45.100 0.223 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925