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 1uvl_1_E DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.275 177.300 -0.042 0.000 1.155 1 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 1 P CB 0.000 31.683 31.700 -0.028 0.000 0.726 2 R N 0.429 120.908 120.500 -0.035 0.000 2.679 2 R HA 0.451 4.784 4.340 -0.011 0.000 0.268 2 R C 0.287 176.552 176.300 -0.059 0.000 1.044 2 R CA -0.121 55.956 56.100 -0.039 0.000 1.105 2 R CB 0.016 30.301 30.300 -0.025 0.000 0.989 2 R HN 0.538 nan 8.270 nan 0.000 0.447 3 R N 1.535 121.993 120.500 -0.070 0.000 2.531 3 R HA 0.579 4.913 4.340 -0.011 0.000 0.273 3 R C -0.514 175.737 176.300 -0.080 0.000 1.070 3 R CA -0.390 55.650 56.100 -0.099 0.000 1.112 3 R CB 0.779 31.009 30.300 -0.118 0.000 1.049 3 R HN 0.730 nan 8.270 nan 0.000 0.508 4 A N 3.689 126.455 122.820 -0.090 0.000 2.425 4 A HA 0.327 4.641 4.320 -0.011 0.000 0.249 4 A C -1.900 175.643 177.584 -0.068 0.000 1.084 4 A CA -1.555 50.450 52.037 -0.052 0.000 0.781 4 A CB -0.214 18.764 19.000 -0.036 0.000 1.019 4 A HN 0.737 nan 8.150 nan 0.000 0.490 5 P HA 0.398 nan 4.420 nan 0.000 0.271 5 P C -0.636 176.507 177.300 -0.262 0.000 1.218 5 P CA 0.089 63.072 63.100 -0.195 0.000 0.780 5 P CB 1.226 32.846 31.700 -0.133 0.000 0.901 6 A N 2.600 125.150 122.820 -0.449 0.000 2.386 6 A HA 0.770 5.083 4.320 -0.011 0.000 0.311 6 A C -1.339 175.894 177.584 -0.585 0.000 1.068 6 A CA -0.535 51.364 52.037 -0.229 0.000 0.743 6 A CB 0.841 19.934 19.000 0.156 0.000 1.258 6 A HN 0.370 nan 8.150 nan 0.000 0.429 7 F N 2.526 122.570 119.950 0.158 0.000 2.518 7 F HA 0.537 5.060 4.527 -0.007 0.000 0.323 7 F C -2.154 173.744 175.800 0.162 0.000 1.129 7 F CA -2.294 55.789 58.000 0.138 0.000 0.920 7 F CB 2.184 41.265 39.000 0.135 0.000 1.160 7 F HN 0.349 nan 8.300 nan 0.000 0.440 8 P HA 0.009 nan 4.420 nan 0.000 0.272 8 P C 0.842 178.330 177.300 0.314 0.000 1.230 8 P CA -0.339 62.901 63.100 0.234 0.000 0.788 8 P CB 1.420 33.208 31.700 0.145 0.000 0.949 9 L N 2.850 124.277 121.223 0.340 0.000 2.081 9 L HA -0.212 4.121 4.340 -0.011 0.000 0.212 9 L C 2.347 179.359 176.870 0.238 0.000 1.080 9 L CA 2.704 57.768 54.840 0.373 0.000 0.754 9 L CB -1.645 40.625 42.059 0.351 0.000 0.893 9 L HN 0.494 nan 8.230 nan 0.000 0.433 10 S N -1.830 113.975 115.700 0.176 0.000 2.474 10 S HA -0.132 4.331 4.470 -0.011 0.000 0.235 10 S C 1.040 175.721 174.600 0.133 0.000 0.997 10 S CA 0.350 58.627 58.200 0.127 0.000 0.949 10 S CB -0.906 62.352 63.200 0.096 0.000 0.766 10 S HN 0.646 nan 8.310 nan 0.000 0.517 11 D N 0.806 121.310 120.400 0.174 0.000 2.372 11 D HA 0.058 4.691 4.640 -0.011 0.000 0.243 11 D C 1.146 177.509 176.300 0.104 0.000 1.121 11 D CA -0.241 53.854 54.000 0.159 0.000 0.898 11 D CB 0.877 41.831 40.800 0.257 0.000 1.202 11 D HN 0.140 nan 8.370 nan 0.000 0.428 12 I N 3.842 124.447 120.570 0.060 0.000 2.335 12 I HA -0.238 3.926 4.170 -0.011 0.000 0.251 12 I C 2.046 178.147 176.117 -0.028 0.000 1.129 12 I CA 1.525 62.840 61.300 0.027 0.000 1.402 12 I CB -0.030 37.979 38.000 0.015 0.000 1.069 12 I HN 0.391 nan 8.210 nan 0.000 0.424 13 K N 0.274 120.599 120.400 -0.125 0.000 2.148 13 K HA -0.060 4.254 4.320 -0.011 0.000 0.204 13 K C 2.094 178.602 176.600 -0.152 0.000 1.050 13 K CA 1.299 57.427 56.287 -0.265 0.000 0.942 13 K CB -0.264 31.818 32.500 -0.697 0.000 0.724 13 K HN 0.480 nan 8.250 nan 0.000 0.446 14 A N 0.950 123.772 122.820 0.005 0.000 1.935 14 A HA -0.100 4.213 4.320 -0.011 0.000 0.214 14 A C 2.033 179.715 177.584 0.162 0.000 1.178 14 A CA 0.715 52.842 52.037 0.150 0.000 0.640 14 A CB -0.144 19.084 19.000 0.381 0.000 0.825 14 A HN 0.124 nan 8.150 nan 0.000 0.447 15 Q N -0.470 119.427 119.800 0.162 0.000 2.096 15 Q HA -0.155 4.178 4.340 -0.011 0.000 0.204 15 Q C 2.014 178.097 176.000 0.138 0.000 0.982 15 Q CA 1.331 57.249 55.803 0.191 0.000 0.850 15 Q CB -0.465 28.345 28.738 0.120 0.000 0.901 15 Q HN 0.584 nan 8.270 nan 0.000 0.422 16 M N 0.150 119.780 119.600 0.050 0.000 2.435 16 M HA -0.106 4.368 4.480 -0.011 0.000 0.262 16 M C 1.913 178.219 176.300 0.010 0.000 1.065 16 M CA 0.910 56.240 55.300 0.051 0.000 1.076 16 M CB -0.572 32.056 32.600 0.048 0.000 1.403 16 M HN 0.180 nan 8.290 nan 0.000 0.454 17 L N -1.491 119.596 121.223 -0.227 0.000 2.478 17 L HA 0.001 4.335 4.340 -0.011 0.000 0.223 17 L C -0.119 176.299 176.870 -0.754 0.000 1.140 17 L CA 0.252 54.748 54.840 -0.573 0.000 0.842 17 L CB -0.227 41.217 42.059 -1.025 0.000 0.953 17 L HN 0.051 nan 8.230 nan 0.000 0.452 18 F N 0.058 120.024 119.950 0.027 0.000 2.460 18 F HA 0.558 5.078 4.527 -0.011 0.000 0.341 18 F C 0.687 176.496 175.800 0.016 0.000 1.130 18 F CA -1.041 56.975 58.000 0.026 0.000 0.962 18 F CB 0.775 39.736 39.000 -0.064 0.000 1.171 18 F HN -0.213 nan 8.300 nan 0.000 0.436 19 A N 1.929 124.839 122.820 0.151 0.000 2.475 19 A HA 0.037 4.350 4.320 -0.011 0.000 0.239 19 A C 0.615 178.289 177.584 0.150 0.000 1.087 19 A CA -0.317 51.793 52.037 0.121 0.000 0.779 19 A CB 0.095 19.206 19.000 0.185 0.000 1.036 19 A HN 0.782 nan 8.150 nan 0.000 0.506 20 N N 0.708 119.482 118.700 0.124 0.000 3.193 20 N HA 0.135 4.868 4.740 -0.011 0.000 0.312 20 N C -0.771 174.791 175.510 0.086 0.000 1.261 20 N CA 0.086 53.190 53.050 0.090 0.000 1.208 20 N CB -0.875 37.653 38.487 0.069 0.000 1.471 20 N HN 0.727 nan 8.380 nan 0.000 0.548 21 N N -0.917 117.840 118.700 0.095 0.000 2.416 21 N HA 0.269 5.002 4.740 -0.011 0.000 0.276 21 N C 0.623 176.160 175.510 0.046 0.000 1.261 21 N CA -0.818 52.277 53.050 0.074 0.000 0.790 21 N CB 0.788 39.335 38.487 0.099 0.000 1.554 21 N HN -0.244 nan 8.380 nan 0.000 0.481 22 I N 0.313 120.896 120.570 0.021 0.000 2.151 22 I HA -0.233 3.930 4.170 -0.011 0.000 0.243 22 I C 1.906 178.007 176.117 -0.027 0.000 1.080 22 I CA 1.379 62.675 61.300 -0.007 0.000 1.339 22 I CB -0.877 37.118 38.000 -0.007 0.000 1.039 22 I HN 0.651 nan 8.210 nan 0.000 0.409 23 K N 0.975 121.375 120.400 -0.000 0.000 2.032 23 K HA -0.163 4.151 4.320 -0.011 0.000 0.209 23 K C 2.216 178.748 176.600 -0.114 0.000 1.048 23 K CA 1.712 57.989 56.287 -0.017 0.000 0.927 23 K CB -0.403 32.134 32.500 0.062 0.000 0.712 23 K HN 0.346 nan 8.250 nan 0.000 0.441 24 A N 1.645 124.452 122.820 -0.021 0.000 1.877 24 A HA -0.192 4.122 4.320 -0.011 0.000 0.216 24 A C 2.198 179.613 177.584 -0.281 0.000 1.186 24 A CA 1.315 53.293 52.037 -0.097 0.000 0.620 24 A CB -0.353 18.808 19.000 0.268 0.000 0.822 24 A HN 0.250 nan 8.150 nan 0.000 0.443 25 Q N -0.295 119.413 119.800 -0.154 0.000 2.084 25 Q HA -0.221 4.112 4.340 -0.011 0.000 0.202 25 Q C 2.158 177.983 176.000 -0.292 0.000 0.978 25 Q CA 1.928 57.601 55.803 -0.216 0.000 0.844 25 Q CB -0.505 28.173 28.738 -0.100 0.000 0.898 25 Q HN 0.833 nan 8.270 nan 0.000 0.426 26 Q N -0.108 119.560 119.800 -0.220 0.000 2.124 26 Q HA -0.065 4.269 4.340 -0.011 0.000 0.202 26 Q C 1.992 177.849 176.000 -0.239 0.000 0.977 26 Q CA 1.345 57.037 55.803 -0.184 0.000 0.850 26 Q CB -0.148 28.521 28.738 -0.114 0.000 0.901 26 Q HN 0.392 nan 8.270 nan 0.000 0.429 27 A N 0.751 123.322 122.820 -0.415 0.000 1.969 27 A HA -0.190 4.123 4.320 -0.011 0.000 0.218 27 A C 2.214 179.599 177.584 -0.332 0.000 1.169 27 A CA 1.642 53.404 52.037 -0.459 0.000 0.635 27 A CB -0.592 17.668 19.000 -1.233 0.000 0.810 27 A HN 0.457 nan 8.150 nan 0.000 0.445 28 S N -0.032 115.200 115.700 -0.781 0.000 2.402 28 S HA -0.119 4.344 4.470 -0.011 0.000 0.229 28 S C 1.620 176.114 174.600 -0.176 0.000 1.021 28 S CA 1.457 59.063 58.200 -0.991 0.000 0.974 28 S CB -0.259 61.757 63.200 -1.974 0.000 0.800 28 S HN 0.627 nan 8.310 nan 0.000 0.484 29 K N 0.523 120.815 120.400 -0.180 0.000 2.361 29 K HA 0.236 4.549 4.320 -0.011 0.000 0.194 29 K C 0.714 177.291 176.600 -0.037 0.000 1.032 29 K CA -0.345 55.861 56.287 -0.135 0.000 1.048 29 K CB 0.121 32.513 32.500 -0.179 0.000 0.842 29 K HN 0.269 nan 8.250 nan 0.000 0.526 30 R N 2.709 123.257 120.500 0.080 0.000 2.486 30 R HA -0.067 4.267 4.340 -0.011 0.000 0.304 30 R C -0.130 176.332 176.300 0.270 0.000 0.913 30 R CA 0.210 56.386 56.100 0.127 0.000 1.124 30 R CB 0.242 30.620 30.300 0.130 0.000 0.891 30 R HN 0.126 nan 8.270 nan 0.000 0.410 31 S N 4.234 120.043 115.700 0.180 0.000 2.707 31 S HA 0.234 4.698 4.470 -0.011 0.000 0.276 31 S C -0.012 174.727 174.600 0.233 0.000 1.179 31 S CA -0.946 57.415 58.200 0.269 0.000 0.992 31 S CB 0.600 63.910 63.200 0.183 0.000 1.030 31 S HN 0.524 nan 8.310 nan 0.000 0.554 32 F N 1.332 121.359 119.950 0.128 0.000 2.607 32 F HA 0.432 4.952 4.527 -0.011 0.000 0.374 32 F C 0.163 176.010 175.800 0.079 0.000 1.104 32 F CA 0.534 58.583 58.000 0.082 0.000 1.296 32 F CB 0.211 39.250 39.000 0.066 0.000 1.085 32 F HN 0.546 nan 8.300 nan 0.000 0.584 33 K N 4.671 124.667 120.400 -0.672 0.000 2.469 33 K HA 0.445 4.759 4.320 -0.011 0.000 0.254 33 K C -1.412 174.804 176.600 -0.641 0.000 0.939 33 K CA -0.752 55.283 56.287 -0.420 0.000 0.812 33 K CB 1.904 34.274 32.500 -0.215 0.000 1.301 33 K HN 0.741 nan 8.250 nan 0.000 0.433 34 E N 0.464 120.446 120.200 -0.364 0.000 2.445 34 E HA 0.823 5.167 4.350 -0.011 0.000 0.279 34 E C -0.821 175.486 176.600 -0.488 0.000 1.018 34 E CA -1.562 54.603 56.400 -0.393 0.000 0.816 34 E CB 1.909 31.538 29.700 -0.119 0.000 1.356 34 E HN 0.601 nan 8.360 nan 0.000 0.462 35 G N -0.418 107.791 108.800 -0.985 0.000 2.368 35 G HA2 0.462 4.415 3.960 -0.011 0.000 0.303 35 G HA3 0.462 4.415 3.960 -0.011 0.000 0.303 35 G C -1.111 173.160 174.900 -1.049 0.000 1.590 35 G CA -0.475 44.033 45.100 -0.987 0.000 0.938 35 G HN 0.772 nan 8.290 nan 0.000 0.675 36 A N 0.722 123.155 122.820 -0.645 0.000 2.531 36 A HA 0.549 4.863 4.320 -0.011 0.000 0.236 36 A C 1.063 178.541 177.584 -0.176 0.000 1.062 36 A CA 0.484 52.380 52.037 -0.236 0.000 0.760 36 A CB -0.281 18.784 19.000 0.107 0.000 0.995 36 A HN 1.837 nan 8.150 nan 0.000 0.501 37 I N -0.852 119.657 120.570 -0.102 0.000 2.886 37 I HA 0.401 4.565 4.170 -0.011 0.000 0.299 37 I C 0.392 176.484 176.117 -0.042 0.000 1.044 37 I CA -0.580 60.676 61.300 -0.073 0.000 1.310 37 I CB 0.935 38.907 38.000 -0.047 0.000 1.441 37 I HN 0.709 nan 8.210 nan 0.000 0.578 38 E N 2.625 122.796 120.200 -0.047 0.000 1.924 38 E HA 0.128 4.471 4.350 -0.011 0.000 0.261 38 E C 0.412 176.960 176.600 -0.087 0.000 1.088 38 E CA -0.193 56.179 56.400 -0.045 0.000 0.909 38 E CB 0.485 30.167 29.700 -0.030 0.000 1.112 38 E HN 0.804 nan 8.360 nan 0.000 0.425 39 T N 3.252 117.729 114.554 -0.128 0.000 2.685 39 T HA -0.184 4.160 4.350 -0.011 0.000 0.268 39 T C -0.163 174.208 174.700 -0.549 0.000 1.034 39 T CA 1.586 63.520 62.100 -0.276 0.000 1.149 39 T CB -0.098 68.597 68.868 -0.288 0.000 0.860 39 T HN 0.357 nan 8.240 nan 0.000 0.449 40 Y N -0.475 119.827 120.300 0.002 0.000 2.625 40 Y HA 0.386 4.930 4.550 -0.011 0.000 0.338 40 Y C -0.271 175.639 175.900 0.017 0.000 1.123 40 Y CA -1.808 56.311 58.100 0.031 0.000 1.046 40 Y CB 1.158 39.683 38.460 0.109 0.000 1.299 40 Y HN -0.080 nan 8.280 nan 0.000 0.464 41 E N 0.700 121.013 120.200 0.189 0.000 2.558 41 E HA 0.251 4.594 4.350 -0.011 0.000 0.255 41 E C 0.765 177.426 176.600 0.101 0.000 0.968 41 E CA 1.517 57.975 56.400 0.096 0.000 0.939 41 E CB 0.042 29.779 29.700 0.062 0.000 0.921 41 E HN 0.888 nan 8.360 nan 0.000 0.477 42 G N 3.293 112.129 108.800 0.061 0.000 2.184 42 G HA2 -0.289 3.665 3.960 -0.011 0.000 0.264 42 G HA3 -0.289 3.665 3.960 -0.011 0.000 0.264 42 G C -0.032 174.899 174.900 0.052 0.000 0.975 42 G CA 0.012 45.144 45.100 0.053 0.000 0.642 42 G HN 0.476 nan 8.290 nan 0.000 0.536 43 L N 0.900 122.153 121.223 0.050 0.000 2.372 43 L HA 0.624 4.958 4.340 -0.011 0.000 0.274 43 L C -0.430 176.411 176.870 -0.048 0.000 0.988 43 L CA -1.046 53.796 54.840 0.003 0.000 0.833 43 L CB 1.080 43.131 42.059 -0.013 0.000 1.236 43 L HN -0.031 nan 8.230 nan 0.000 0.410 44 L N 3.051 124.262 121.223 -0.020 0.000 2.395 44 L HA 0.209 4.543 4.340 -0.011 0.000 0.269 44 L C 1.673 178.560 176.870 0.028 0.000 1.133 44 L CA 0.479 55.321 54.840 0.003 0.000 0.812 44 L CB 1.680 43.764 42.059 0.040 0.000 1.125 44 L HN 0.766 nan 8.230 nan 0.000 0.452 45 S N 1.191 116.950 115.700 0.098 0.000 2.469 45 S HA -0.097 4.366 4.470 -0.011 0.000 0.238 45 S C 1.038 175.888 174.600 0.417 0.000 0.998 45 S CA 0.878 59.269 58.200 0.318 0.000 0.957 45 S CB -0.442 62.945 63.200 0.311 0.000 0.764 45 S HN 0.570 nan 8.310 nan 0.000 0.514 46 V N -1.649 118.422 119.914 0.262 0.000 3.483 46 V HA 0.294 4.407 4.120 -0.011 0.000 0.301 46 V C 0.328 176.489 176.094 0.111 0.000 1.389 46 V CA -0.477 61.936 62.300 0.190 0.000 1.101 46 V CB -0.644 31.285 31.823 0.176 0.000 0.971 46 V HN 0.295 nan 8.190 nan 0.000 0.434 47 D N 2.455 122.940 120.400 0.142 0.000 2.583 47 D HA 0.028 4.661 4.640 -0.011 0.000 0.232 47 D C -1.384 174.923 176.300 0.012 0.000 1.128 47 D CA -0.713 53.329 54.000 0.070 0.000 0.859 47 D CB 1.980 42.836 40.800 0.092 0.000 1.169 47 D HN 0.155 nan 8.370 nan 0.000 0.481 48 P HA -0.136 nan 4.420 nan 0.000 0.216 48 P C 1.081 178.254 177.300 -0.213 0.000 1.150 48 P CA 1.382 64.394 63.100 -0.148 0.000 0.843 48 P CB 0.257 31.873 31.700 -0.140 0.000 0.787 49 R N -1.951 118.365 120.500 -0.306 0.000 2.075 49 R HA -0.091 4.242 4.340 -0.011 0.000 0.232 49 R C 2.164 178.188 176.300 -0.460 0.000 1.126 49 R CA 1.104 56.843 56.100 -0.602 0.000 0.963 49 R CB -1.390 28.165 30.300 -1.242 0.000 0.858 49 R HN 0.149 nan 8.270 nan 0.000 0.435 50 F N 1.190 120.940 119.950 -0.333 0.000 2.134 50 F HA -0.110 4.410 4.527 -0.011 0.000 0.299 50 F C 1.667 177.518 175.800 0.085 0.000 1.097 50 F CA 1.396 59.406 58.000 0.016 0.000 1.264 50 F CB -0.183 38.924 39.000 0.178 0.000 1.001 50 F HN -0.087 nan 8.300 nan 0.000 0.479 51 L N -1.244 119.941 121.223 -0.063 0.000 2.093 51 L HA -0.181 4.153 4.340 -0.011 0.000 0.208 51 L C 2.693 179.419 176.870 -0.241 0.000 1.085 51 L CA 1.386 56.035 54.840 -0.319 0.000 0.755 51 L CB -1.023 40.675 42.059 -0.602 0.000 0.904 51 L HN 0.171 nan 8.230 nan 0.000 0.435 52 S N 0.075 115.661 115.700 -0.190 0.000 2.368 52 S HA -0.227 4.237 4.470 -0.011 0.000 0.225 52 S C 1.987 176.557 174.600 -0.051 0.000 1.030 52 S CA 1.249 59.372 58.200 -0.129 0.000 0.999 52 S CB -0.326 62.777 63.200 -0.163 0.000 0.844 52 S HN 0.429 nan 8.310 nan 0.000 0.459 53 F N 2.030 121.845 119.950 -0.224 0.000 2.102 53 F HA -0.006 4.514 4.527 -0.011 0.000 0.298 53 F C 2.097 177.805 175.800 -0.154 0.000 1.105 53 F CA 1.802 59.691 58.000 -0.185 0.000 1.239 53 F CB -0.454 38.428 39.000 -0.197 0.000 0.991 53 F HN 0.111 nan 8.300 nan 0.000 0.474 54 K N 0.064 120.295 120.400 -0.281 0.000 2.147 54 K HA -0.238 4.076 4.320 -0.011 0.000 0.205 54 K C 1.893 178.433 176.600 -0.100 0.000 1.049 54 K CA 1.536 57.639 56.287 -0.307 0.000 0.936 54 K CB -0.470 32.011 32.500 -0.032 0.000 0.722 54 K HN 0.366 nan 8.250 nan 0.000 0.446 55 N N 1.250 120.001 118.700 0.086 0.000 2.142 55 N HA -0.191 4.543 4.740 -0.011 0.000 0.186 55 N C 1.693 177.226 175.510 0.038 0.000 1.023 55 N CA 1.395 54.515 53.050 0.117 0.000 0.852 55 N CB 0.109 38.711 38.487 0.191 0.000 0.998 55 N HN 0.186 nan 8.380 nan 0.000 0.424 56 E N -0.587 119.589 120.200 -0.040 0.000 2.028 56 E HA -0.156 4.188 4.350 -0.011 0.000 0.191 56 E C 1.861 178.425 176.600 -0.060 0.000 0.988 56 E CA 0.849 57.233 56.400 -0.028 0.000 0.799 56 E CB -0.185 29.479 29.700 -0.060 0.000 0.755 56 E HN 0.338 nan 8.360 nan 0.000 0.447 57 L N 1.146 122.195 121.223 -0.290 0.000 2.012 57 L HA -0.208 4.125 4.340 -0.011 0.000 0.210 57 L C 2.521 179.343 176.870 -0.080 0.000 1.073 57 L CA 2.546 57.206 54.840 -0.300 0.000 0.748 57 L CB -0.836 40.792 42.059 -0.717 0.000 0.891 57 L HN 0.183 nan 8.230 nan 0.000 0.431 58 S N -0.930 114.750 115.700 -0.033 0.000 2.382 58 S HA -0.229 4.234 4.470 -0.011 0.000 0.228 58 S C 2.159 176.950 174.600 0.319 0.000 1.027 58 S CA 1.197 59.493 58.200 0.159 0.000 0.991 58 S CB -0.625 62.724 63.200 0.249 0.000 0.823 58 S HN 0.519 nan 8.310 nan 0.000 0.469 59 R N -0.554 120.169 120.500 0.371 0.000 2.073 59 R HA 0.048 4.381 4.340 -0.011 0.000 0.229 59 R C 2.337 178.817 176.300 0.299 0.000 1.120 59 R CA 1.475 57.850 56.100 0.459 0.000 0.967 59 R CB -0.556 29.949 30.300 0.343 0.000 0.862 59 R HN 0.598 nan 8.270 nan 0.000 0.436 60 Y N 1.448 121.815 120.300 0.112 0.000 2.114 60 Y HA -0.199 4.344 4.550 -0.011 0.000 0.284 60 Y C 1.922 177.880 175.900 0.096 0.000 1.143 60 Y CA 1.567 59.727 58.100 0.100 0.000 1.135 60 Y CB -0.187 38.267 38.460 -0.010 0.000 0.980 60 Y HN -0.059 nan 8.280 nan 0.000 0.499 61 L N -0.794 120.508 121.223 0.132 0.000 2.079 61 L HA -0.262 4.071 4.340 -0.011 0.000 0.210 61 L C 2.340 179.198 176.870 -0.020 0.000 1.081 61 L CA 1.849 56.614 54.840 -0.125 0.000 0.752 61 L CB -0.998 40.502 42.059 -0.931 0.000 0.896 61 L HN 0.249 nan 8.230 nan 0.000 0.433 62 T N -1.213 113.397 114.554 0.092 0.000 2.746 62 T HA -0.203 4.140 4.350 -0.011 0.000 0.267 62 T C 1.611 176.344 174.700 0.054 0.000 1.039 62 T CA 1.352 63.540 62.100 0.145 0.000 1.142 62 T CB -0.215 68.556 68.868 -0.162 0.000 0.866 62 T HN 0.343 nan 8.240 nan 0.000 0.444 63 D N 0.361 120.757 120.400 -0.006 0.000 2.087 63 D HA -0.116 4.517 4.640 -0.011 0.000 0.192 63 D C 1.905 177.970 176.300 -0.392 0.000 0.993 63 D CA 1.360 55.261 54.000 -0.164 0.000 0.828 63 D CB -0.084 40.596 40.800 -0.200 0.000 0.968 63 D HN 0.465 nan 8.370 nan 0.000 0.448 64 H N -1.867 116.875 119.070 -0.547 0.000 2.529 64 H HA 0.089 4.639 4.556 -0.011 0.000 0.277 64 H C -0.055 174.679 175.328 -0.990 0.000 0.999 64 H CA 0.493 56.015 56.048 -0.877 0.000 1.256 64 H CB 0.101 29.049 29.762 -1.357 0.000 1.402 64 H HN 0.044 nan 8.280 nan 0.000 0.566 65 F N 0.522 120.489 119.950 0.028 0.000 2.710 65 F HA 0.334 4.854 4.527 -0.011 0.000 0.345 65 F C -2.517 173.369 175.800 0.145 0.000 1.362 65 F CA -3.113 54.946 58.000 0.097 0.000 1.175 65 F CB 0.767 39.849 39.000 0.135 0.000 1.561 65 F HN -0.139 nan 8.300 nan 0.000 0.593 66 P HA 0.161 nan 4.420 nan 0.000 0.270 66 P C -0.013 177.348 177.300 0.102 0.000 1.223 66 P CA -0.249 62.918 63.100 0.111 0.000 0.785 66 P CB 0.738 32.467 31.700 0.048 0.000 0.923 67 A N 2.356 125.207 122.820 0.051 0.000 2.498 67 A HA 0.063 4.377 4.320 -0.011 0.000 0.239 67 A C 0.142 177.700 177.584 -0.043 0.000 1.068 67 A CA 0.115 52.153 52.037 0.002 0.000 0.766 67 A CB -0.778 18.229 19.000 0.012 0.000 1.003 67 A HN 0.624 nan 8.150 nan 0.000 0.497 68 N N 1.156 119.745 118.700 -0.185 0.000 2.898 68 N HA 0.434 5.168 4.740 -0.011 0.000 0.245 68 N C -1.558 173.661 175.510 -0.485 0.000 1.185 68 N CA -0.283 52.441 53.050 -0.543 0.000 0.879 68 N CB 1.395 39.272 38.487 -1.017 0.000 1.157 68 N HN 0.349 nan 8.380 nan 0.000 0.503 69 V N 1.550 121.444 119.914 -0.033 0.000 2.525 69 V HA 0.168 4.281 4.120 -0.011 0.000 0.299 69 V C -0.138 176.110 176.094 0.257 0.000 1.034 69 V CA -1.006 61.344 62.300 0.083 0.000 0.863 69 V CB 1.609 33.352 31.823 -0.132 0.000 0.999 69 V HN 0.545 nan 8.190 nan 0.000 0.423 70 D N 3.028 123.618 120.400 0.318 0.000 2.393 70 D HA 0.120 4.753 4.640 -0.011 0.000 0.246 70 D C 0.820 177.190 176.300 0.117 0.000 1.275 70 D CA -0.457 53.660 54.000 0.195 0.000 0.979 70 D CB 0.783 41.640 40.800 0.095 0.000 1.101 70 D HN 0.536 nan 8.370 nan 0.000 0.505 71 E N -1.657 118.568 120.200 0.042 0.000 2.478 71 E HA -0.078 4.266 4.350 -0.011 0.000 0.198 71 E C 0.319 176.705 176.600 -0.357 0.000 1.046 71 E CA 0.769 57.112 56.400 -0.095 0.000 0.870 71 E CB -0.574 29.014 29.700 -0.188 0.000 0.818 71 E HN 0.478 nan 8.360 nan 0.000 0.527 72 Y N 0.009 120.203 120.300 -0.178 0.000 2.571 72 Y HA 0.334 4.877 4.550 -0.011 0.000 0.275 72 Y C 1.578 177.427 175.900 -0.084 0.000 1.179 72 Y CA -0.032 57.847 58.100 -0.368 0.000 1.242 72 Y CB 0.607 38.784 38.460 -0.472 0.000 1.126 72 Y HN 0.155 nan 8.280 nan 0.000 0.524 73 G N 0.929 109.825 108.800 0.161 0.000 2.175 73 G HA2 -0.348 3.606 3.960 -0.011 0.000 0.265 73 G HA3 -0.348 3.606 3.960 -0.011 0.000 0.265 73 G C 0.310 175.325 174.900 0.191 0.000 0.979 73 G CA -0.042 45.205 45.100 0.245 0.000 0.663 73 G HN 0.374 nan 8.290 nan 0.000 0.533 74 R N -0.407 120.200 120.500 0.178 0.000 2.410 74 R HA 0.601 4.934 4.340 -0.011 0.000 0.288 74 R C 0.432 176.885 176.300 0.255 0.000 1.051 74 R CA -0.109 56.103 56.100 0.187 0.000 1.021 74 R CB 2.058 32.266 30.300 -0.154 0.000 1.032 74 R HN 0.464 nan 8.270 nan 0.000 0.481 75 V N 3.832 123.927 119.914 0.302 0.000 2.617 75 V HA 0.616 4.730 4.120 -0.011 0.000 0.298 75 V C -1.030 175.248 176.094 0.306 0.000 1.048 75 V CA -0.268 62.151 62.300 0.197 0.000 0.964 75 V CB 0.882 32.742 31.823 0.062 0.000 1.004 75 V HN 0.811 nan 8.190 nan 0.000 0.466 76 Y N 3.221 123.601 120.300 0.133 0.000 2.889 76 Y HA 0.929 5.472 4.550 -0.011 0.000 0.317 76 Y C 0.874 176.836 175.900 0.103 0.000 1.414 76 Y CA -0.362 57.816 58.100 0.129 0.000 1.091 76 Y CB 0.538 39.071 38.460 0.121 0.000 1.358 76 Y HN 1.434 nan 8.280 nan 0.000 0.487 77 G N 1.837 110.759 108.800 0.202 0.000 2.634 77 G HA2 -0.482 3.472 3.960 -0.011 0.000 0.318 77 G HA3 -0.482 3.472 3.960 -0.011 0.000 0.318 77 G C 0.598 175.513 174.900 0.025 0.000 1.207 77 G CA 1.237 46.394 45.100 0.094 0.000 0.987 77 G HN 1.539 nan 8.290 nan 0.000 0.547 78 N N 2.487 121.179 118.700 -0.013 0.000 2.550 78 N HA 0.346 5.080 4.740 -0.011 0.000 0.186 78 N C 1.814 177.332 175.510 0.014 0.000 1.110 78 N CA 1.715 54.791 53.050 0.043 0.000 0.912 78 N CB -0.410 38.152 38.487 0.125 0.000 0.968 78 N HN 2.358 nan 8.380 nan 0.000 0.448 79 G N -1.087 107.697 108.800 -0.028 0.000 2.160 79 G HA2 -0.242 3.712 3.960 -0.011 0.000 0.251 79 G HA3 -0.242 3.712 3.960 -0.011 0.000 0.251 79 G C -0.480 174.424 174.900 0.007 0.000 1.008 79 G CA 0.390 45.490 45.100 -0.000 0.000 0.724 79 G HN 0.336 nan 8.290 nan 0.000 0.514 80 V N 0.643 120.549 119.914 -0.014 0.000 2.427 80 V HA 0.553 4.666 4.120 -0.011 0.000 0.286 80 V C 1.333 177.388 176.094 -0.065 0.000 1.034 80 V CA 0.074 62.368 62.300 -0.011 0.000 0.893 80 V CB 1.523 33.401 31.823 0.092 0.000 0.982 80 V HN 0.567 nan 8.190 nan 0.000 0.452 81 R N 2.225 122.672 120.500 -0.088 0.000 2.404 81 R HA 0.371 4.704 4.340 -0.011 0.000 0.237 81 R C 0.528 176.800 176.300 -0.048 0.000 0.907 81 R CA 0.015 56.080 56.100 -0.059 0.000 1.063 81 R CB 0.860 31.143 30.300 -0.028 0.000 1.134 81 R HN 0.595 nan 8.270 nan 0.000 0.529 82 T N 0.422 114.887 114.554 -0.150 0.000 2.711 82 T HA 0.192 4.536 4.350 -0.011 0.000 0.302 82 T C -1.477 173.032 174.700 -0.318 0.000 1.373 82 T CA -0.774 61.238 62.100 -0.147 0.000 1.000 82 T CB 1.180 69.990 68.868 -0.097 0.000 1.483 82 T HN 0.380 nan 8.240 nan 0.000 0.499 83 N N 0.124 118.666 118.700 -0.263 0.000 2.263 83 N HA 0.231 4.964 4.740 -0.011 0.000 0.239 83 N C -0.089 175.064 175.510 -0.594 0.000 1.317 83 N CA 0.105 52.914 53.050 -0.403 0.000 0.909 83 N CB -0.077 38.119 38.487 -0.485 0.000 1.171 83 N HN 0.475 nan 8.380 nan 0.000 0.492 84 F N -2.049 117.608 119.950 -0.490 0.000 2.708 84 F HA 0.395 4.915 4.527 -0.011 0.000 0.300 84 F C 0.386 176.088 175.800 -0.165 0.000 1.118 84 F CA -0.560 57.301 58.000 -0.231 0.000 1.307 84 F CB -0.405 38.526 39.000 -0.115 0.000 0.986 84 F HN 0.356 nan 8.300 nan 0.000 0.522 85 F N -0.531 119.506 119.950 0.145 0.000 2.748 85 F HA 0.060 4.580 4.527 -0.011 0.000 0.299 85 F C 2.326 178.112 175.800 -0.024 0.000 1.154 85 F CA 0.234 58.261 58.000 0.044 0.000 1.446 85 F CB -0.400 38.662 39.000 0.103 0.000 1.112 85 F HN 0.156 nan 8.300 nan 0.000 0.584 86 G N 1.430 110.331 108.800 0.169 0.000 2.462 86 G HA2 -0.285 3.669 3.960 -0.011 0.000 0.220 86 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.220 86 G C 1.628 176.686 174.900 0.264 0.000 1.121 86 G CA 0.891 46.113 45.100 0.202 0.000 0.758 86 G HN 0.503 nan 8.290 nan 0.000 0.559 87 M N -0.389 119.325 119.600 0.190 0.000 2.630 87 M HA 0.244 4.718 4.480 -0.011 0.000 0.254 87 M C 1.196 177.549 176.300 0.089 0.000 1.092 87 M CA 0.593 56.016 55.300 0.204 0.000 1.087 87 M CB 0.027 32.744 32.600 0.194 0.000 1.453 87 M HN -0.085 nan 8.290 nan 0.000 0.509 88 R N 2.002 122.388 120.500 -0.190 0.000 4.792 88 R HA 0.212 4.545 4.340 -0.011 0.000 0.205 88 R C -0.758 175.234 176.300 -0.512 0.000 1.875 88 R CA 0.053 55.732 56.100 -0.702 0.000 1.588 88 R CB -0.633 28.938 30.300 -1.215 0.000 1.401 88 R HN 0.469 nan 8.270 nan 0.000 0.834 89 H N 0.592 119.747 119.070 0.141 0.000 2.622 89 H HA 0.255 4.805 4.556 -0.011 0.000 0.363 89 H C 0.145 175.691 175.328 0.363 0.000 1.151 89 H CA -1.035 55.171 56.048 0.263 0.000 1.184 89 H CB 1.818 31.701 29.762 0.202 0.000 1.643 89 H HN -0.017 nan 8.280 nan 0.000 0.531 90 M N 2.537 122.419 119.600 0.470 0.000 3.011 90 M HA 0.097 4.570 4.480 -0.011 0.000 0.292 90 M C -0.222 176.355 176.300 0.462 0.000 1.440 90 M CA -0.155 55.407 55.300 0.437 0.000 1.552 90 M CB -1.903 30.903 32.600 0.342 0.000 1.187 90 M HN 0.413 nan 8.290 nan 0.000 0.520 91 N N 1.361 120.283 118.700 0.371 0.000 2.359 91 N HA 0.246 4.979 4.740 -0.011 0.000 0.261 91 N C 1.247 176.814 175.510 0.095 0.000 1.267 91 N CA 1.037 54.225 53.050 0.229 0.000 0.864 91 N CB 0.314 38.930 38.487 0.216 0.000 1.063 91 N HN 0.861 nan 8.380 nan 0.000 0.474 92 G N 1.336 110.121 108.800 -0.024 0.000 2.218 92 G HA2 -0.246 3.707 3.960 -0.011 0.000 0.216 92 G HA3 -0.246 3.707 3.960 -0.011 0.000 0.216 92 G C -0.266 174.382 174.900 -0.419 0.000 0.994 92 G CA -0.632 44.310 45.100 -0.263 0.000 0.637 92 G HN 0.477 nan 8.290 nan 0.000 0.505 93 F N 3.481 123.461 119.950 0.049 0.000 2.375 93 F HA 0.514 5.034 4.527 -0.011 0.000 0.361 93 F C -1.631 174.243 175.800 0.124 0.000 1.117 93 F CA -2.128 55.925 58.000 0.089 0.000 1.037 93 F CB 2.381 41.452 39.000 0.119 0.000 1.192 93 F HN -0.110 nan 8.300 nan 0.000 0.452 94 P HA 0.222 nan 4.420 nan 0.000 0.278 94 P C -0.545 176.898 177.300 0.238 0.000 1.258 94 P CA -0.673 62.560 63.100 0.221 0.000 0.811 94 P CB 1.412 33.221 31.700 0.181 0.000 1.063 95 M N 0.673 120.365 119.600 0.154 0.000 2.240 95 M HA 0.372 4.845 4.480 -0.011 0.000 0.317 95 M C -0.540 175.812 176.300 0.087 0.000 1.087 95 M CA 0.699 56.069 55.300 0.118 0.000 1.176 95 M CB -0.117 32.520 32.600 0.061 0.000 1.439 95 M HN 0.073 nan 8.290 nan 0.000 0.452 96 I N 2.500 123.104 120.570 0.058 0.000 2.533 96 I HA 0.542 4.705 4.170 -0.011 0.000 0.290 96 I C -2.402 173.730 176.117 0.024 0.000 1.056 96 I CA -1.985 59.314 61.300 -0.003 0.000 1.057 96 I CB 1.856 39.833 38.000 -0.038 0.000 1.240 96 I HN 0.639 nan 8.210 nan 0.000 0.423 97 P HA 0.466 nan 4.420 nan 0.000 0.283 97 P C -0.717 176.497 177.300 -0.144 0.000 1.278 97 P CA -0.414 62.648 63.100 -0.065 0.000 0.834 97 P CB 1.793 33.519 31.700 0.043 0.000 1.150 98 A N 0.465 123.121 122.820 -0.272 0.000 2.272 98 A HA 0.454 4.768 4.320 -0.011 0.000 0.275 98 A C 0.465 177.872 177.584 -0.295 0.000 1.096 98 A CA -0.173 51.639 52.037 -0.375 0.000 0.822 98 A CB -0.449 18.017 19.000 -0.890 0.000 1.088 98 A HN 0.520 nan 8.150 nan 0.000 0.495 99 T N -0.429 114.028 114.554 -0.162 0.000 2.899 99 T HA 0.342 4.686 4.350 -0.011 0.000 0.295 99 T C -0.793 173.946 174.700 0.065 0.000 1.033 99 T CA 0.054 62.135 62.100 -0.031 0.000 1.084 99 T CB -0.042 68.812 68.868 -0.023 0.000 0.979 99 T HN 0.374 nan 8.240 nan 0.000 0.532 100 W N 5.773 127.099 121.300 0.044 0.000 2.316 100 W HA 0.359 5.012 4.660 -0.012 0.000 0.311 100 W C -1.780 174.780 176.519 0.068 0.000 1.217 100 W CA -2.006 55.402 57.345 0.105 0.000 1.199 100 W CB 0.521 30.050 29.460 0.115 0.000 1.202 100 W HN 0.490 nan 8.180 nan 0.000 0.528 101 P HA 0.031 nan 4.420 nan 0.000 0.271 101 P C -0.591 176.793 177.300 0.140 0.000 1.216 101 P CA -0.235 62.940 63.100 0.124 0.000 0.771 101 P CB 1.045 32.775 31.700 0.049 0.000 0.864 102 L N 3.323 124.601 121.223 0.090 0.000 2.513 102 L HA 0.053 4.386 4.340 -0.011 0.000 0.272 102 L C 1.864 178.754 176.870 0.035 0.000 1.187 102 L CA 0.564 55.446 54.840 0.070 0.000 0.895 102 L CB 0.029 42.114 42.059 0.044 0.000 1.147 102 L HN 0.502 nan 8.230 nan 0.000 0.483 103 A N 2.501 125.332 122.820 0.018 0.000 2.014 103 A HA 0.052 4.366 4.320 -0.011 0.000 0.218 103 A C 1.059 178.642 177.584 -0.001 0.000 1.163 103 A CA 1.151 53.196 52.037 0.013 0.000 0.652 103 A CB -0.064 18.932 19.000 -0.007 0.000 0.808 103 A HN 0.590 nan 8.150 nan 0.000 0.449 104 S N -0.363 115.326 115.700 -0.017 0.000 2.575 104 S HA 0.397 4.860 4.470 -0.011 0.000 0.278 104 S C -0.298 174.292 174.600 -0.018 0.000 1.139 104 S CA -0.349 57.843 58.200 -0.014 0.000 0.954 104 S CB 0.853 64.038 63.200 -0.024 0.000 1.054 104 S HN 0.431 nan 8.310 nan 0.000 0.483 105 N N 5.454 124.152 118.700 -0.003 0.000 2.251 105 N HA 0.142 4.876 4.740 -0.011 0.000 0.217 105 N C 1.107 176.635 175.510 0.030 0.000 1.124 105 N CA -0.182 52.863 53.050 -0.008 0.000 0.843 105 N CB -0.371 38.105 38.487 -0.019 0.000 1.024 105 N HN 0.608 nan 8.380 nan 0.000 0.501 106 L N 0.160 121.401 121.223 0.030 0.000 2.046 106 L HA -0.091 4.242 4.340 -0.011 0.000 0.208 106 L C 2.571 179.475 176.870 0.056 0.000 1.077 106 L CA 1.377 56.250 54.840 0.055 0.000 0.747 106 L CB -0.351 41.733 42.059 0.041 0.000 0.896 106 L HN 0.253 nan 8.230 nan 0.000 0.432 107 K N 0.871 121.284 120.400 0.022 0.000 2.062 107 K HA -0.216 4.097 4.320 -0.011 0.000 0.205 107 K C 2.261 178.891 176.600 0.049 0.000 1.051 107 K CA 1.270 57.567 56.287 0.017 0.000 0.941 107 K CB 0.021 32.501 32.500 -0.033 0.000 0.719 107 K HN 0.101 nan 8.250 nan 0.000 0.440 108 K N 0.767 121.193 120.400 0.043 0.000 2.097 108 K HA -0.169 4.145 4.320 -0.011 0.000 0.206 108 K C 2.104 178.842 176.600 0.231 0.000 1.049 108 K CA 1.317 57.650 56.287 0.077 0.000 0.933 108 K CB 0.020 32.489 32.500 -0.052 0.000 0.717 108 K HN 0.120 nan 8.250 nan 0.000 0.442 109 R N -0.140 120.502 120.500 0.237 0.000 2.066 109 R HA -0.051 4.283 4.340 -0.011 0.000 0.232 109 R C 2.451 178.868 176.300 0.195 0.000 1.131 109 R CA 1.198 57.484 56.100 0.310 0.000 0.955 109 R CB -0.323 30.131 30.300 0.257 0.000 0.851 109 R HN 0.251 nan 8.270 nan 0.000 0.432 110 A N 1.507 124.408 122.820 0.136 0.000 1.902 110 A HA -0.194 4.120 4.320 -0.011 0.000 0.217 110 A C 1.477 179.113 177.584 0.086 0.000 1.181 110 A CA 1.877 53.969 52.037 0.091 0.000 0.623 110 A CB -0.417 18.620 19.000 0.062 0.000 0.818 110 A HN 0.188 nan 8.150 nan 0.000 0.443 111 D N -0.143 120.317 120.400 0.099 0.000 2.264 111 D HA 0.053 4.686 4.640 -0.011 0.000 0.208 111 D C 1.654 178.020 176.300 0.111 0.000 0.966 111 D CA 1.211 55.266 54.000 0.092 0.000 0.864 111 D CB -0.186 40.667 40.800 0.090 0.000 0.933 111 D HN 0.451 nan 8.370 nan 0.000 0.499 112 A N 0.148 123.060 122.820 0.153 0.000 2.307 112 A HA 0.034 4.347 4.320 -0.011 0.000 0.218 112 A C 0.150 177.765 177.584 0.053 0.000 1.228 112 A CA -0.046 52.069 52.037 0.129 0.000 0.857 112 A CB 0.161 19.280 19.000 0.197 0.000 0.897 112 A HN -0.041 nan 8.150 nan 0.000 0.495 113 D N -0.540 119.894 120.400 0.055 0.000 2.746 113 D HA -0.128 4.506 4.640 -0.011 0.000 0.236 113 D C -0.461 175.844 176.300 0.008 0.000 1.129 113 D CA 0.886 54.901 54.000 0.026 0.000 0.691 113 D CB -1.261 39.547 40.800 0.013 0.000 1.077 113 D HN 0.472 nan 8.370 nan 0.000 0.432 114 L N -0.320 120.924 121.223 0.035 0.000 2.334 114 L HA 0.719 5.053 4.340 -0.011 0.000 0.270 114 L C 1.032 177.950 176.870 0.082 0.000 1.018 114 L CA -0.934 53.930 54.840 0.040 0.000 0.811 114 L CB 1.449 43.541 42.059 0.056 0.000 1.271 114 L HN 0.024 nan 8.230 nan 0.000 0.443 115 A N 0.404 123.279 122.820 0.092 0.000 2.351 115 A HA 0.281 4.594 4.320 -0.011 0.000 0.257 115 A C 0.141 177.808 177.584 0.139 0.000 1.087 115 A CA -0.348 51.724 52.037 0.058 0.000 0.798 115 A CB 0.213 19.183 19.000 -0.050 0.000 1.033 115 A HN 0.843 nan 8.150 nan 0.000 0.488 116 D N -0.061 120.296 120.400 -0.072 0.000 2.395 116 D HA 0.424 5.057 4.640 -0.011 0.000 0.226 116 D C 0.345 176.143 176.300 -0.838 0.000 1.146 116 D CA 0.561 54.483 54.000 -0.130 0.000 0.830 116 D CB -0.086 40.695 40.800 -0.031 0.000 0.958 116 D HN 0.924 nan 8.370 nan 0.000 0.501 117 G N -0.429 107.564 108.800 -1.344 0.000 2.316 117 G HA2 0.344 4.297 3.960 -0.011 0.000 0.296 117 G HA3 0.344 4.297 3.960 -0.011 0.000 0.296 117 G C -3.209 171.007 174.900 -1.141 0.000 1.399 117 G CA -1.164 42.827 45.100 -1.849 0.000 0.833 117 G HN -0.130 nan 8.290 nan 0.000 0.565 118 P HA 0.151 nan 4.420 nan 0.000 0.261 118 P C 1.134 178.418 177.300 -0.026 0.000 1.183 118 P CA 0.010 63.039 63.100 -0.119 0.000 0.761 118 P CB 1.319 33.004 31.700 -0.024 0.000 0.785 119 V N 2.587 122.585 119.914 0.140 0.000 2.951 119 V HA 0.000 4.113 4.120 -0.011 0.000 0.255 119 V C 0.531 176.620 176.094 -0.008 0.000 1.088 119 V CA 1.961 64.259 62.300 -0.003 0.000 1.109 119 V CB -0.333 31.446 31.823 -0.073 0.000 0.724 119 V HN 0.639 nan 8.190 nan 0.000 0.471 120 S N -1.330 114.387 115.700 0.028 0.000 2.627 120 S HA 0.521 4.984 4.470 -0.011 0.000 0.283 120 S C 0.464 175.063 174.600 -0.002 0.000 1.127 120 S CA 0.134 58.330 58.200 -0.006 0.000 0.863 120 S CB 1.672 64.862 63.200 -0.017 0.000 1.121 120 S HN 0.204 nan 8.310 nan 0.000 0.479 121 E N 1.316 121.504 120.200 -0.020 0.000 2.110 121 E HA -0.129 4.215 4.350 -0.011 0.000 0.193 121 E C 1.973 178.559 176.600 -0.023 0.000 0.988 121 E CA 1.579 57.968 56.400 -0.018 0.000 0.804 121 E CB -0.236 29.449 29.700 -0.026 0.000 0.745 121 E HN 0.660 nan 8.360 nan 0.000 0.458 122 R N 0.279 120.754 120.500 -0.042 0.000 2.094 122 R HA -0.191 4.142 4.340 -0.011 0.000 0.239 122 R C 1.395 177.652 176.300 -0.072 0.000 1.137 122 R CA 2.159 58.215 56.100 -0.073 0.000 0.943 122 R CB -0.450 29.789 30.300 -0.101 0.000 0.850 122 R HN 0.189 nan 8.270 nan 0.000 0.433 123 D N 0.059 120.439 120.400 -0.035 0.000 2.149 123 D HA -0.174 4.460 4.640 -0.011 0.000 0.198 123 D C 1.590 177.917 176.300 0.044 0.000 0.990 123 D CA 1.346 55.320 54.000 -0.044 0.000 0.839 123 D CB -0.633 40.255 40.800 0.147 0.000 0.948 123 D HN 0.328 nan 8.370 nan 0.000 0.460 124 N N 0.232 118.996 118.700 0.107 0.000 2.104 124 N HA -0.109 4.625 4.740 -0.011 0.000 0.190 124 N C 1.709 177.277 175.510 0.097 0.000 1.024 124 N CA 0.827 53.965 53.050 0.147 0.000 0.853 124 N CB -0.244 38.281 38.487 0.064 0.000 1.008 124 N HN 0.151 nan 8.380 nan 0.000 0.424 125 L N -0.194 121.038 121.223 0.016 0.000 2.093 125 L HA -0.062 4.271 4.340 -0.011 0.000 0.208 125 L C 2.191 179.042 176.870 -0.033 0.000 1.085 125 L CA 0.608 55.444 54.840 -0.006 0.000 0.755 125 L CB -0.343 41.695 42.059 -0.035 0.000 0.904 125 L HN 0.233 nan 8.230 nan 0.000 0.435 126 L N -1.479 119.680 121.223 -0.106 0.000 2.093 126 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 126 L C 2.466 179.238 176.870 -0.164 0.000 1.085 126 L CA 1.358 56.079 54.840 -0.198 0.000 0.755 126 L CB -0.461 41.404 42.059 -0.323 0.000 0.904 126 L HN 0.137 nan 8.230 nan 0.000 0.435 127 F N 0.033 119.976 119.950 -0.012 0.000 2.146 127 F HA -0.152 4.369 4.527 -0.010 0.000 0.298 127 F C 2.739 178.556 175.800 0.029 0.000 1.096 127 F CA 1.017 59.028 58.000 0.019 0.000 1.275 127 F CB -0.163 38.858 39.000 0.035 0.000 1.008 127 F HN -0.102 nan 8.300 nan 0.000 0.480 128 R N 0.005 120.624 120.500 0.199 0.000 2.115 128 R HA -0.072 4.262 4.340 -0.011 0.000 0.230 128 R C 2.380 178.725 176.300 0.075 0.000 1.111 128 R CA 0.992 57.161 56.100 0.115 0.000 0.976 128 R CB -0.597 29.750 30.300 0.078 0.000 0.870 128 R HN 0.250 nan 8.270 nan 0.000 0.445 129 A N 1.306 124.141 122.820 0.026 0.000 1.930 129 A HA -0.068 4.246 4.320 -0.011 0.000 0.217 129 A C 2.366 179.945 177.584 -0.008 0.000 1.175 129 A CA 1.486 53.513 52.037 -0.016 0.000 0.627 129 A CB -0.550 18.397 19.000 -0.088 0.000 0.815 129 A HN 0.368 nan 8.150 nan 0.000 0.443 130 A N -0.347 122.479 122.820 0.009 0.000 1.908 130 A HA -0.063 4.250 4.320 -0.011 0.000 0.218 130 A C 2.217 179.991 177.584 0.318 0.000 1.181 130 A CA 1.939 54.081 52.037 0.174 0.000 0.627 130 A CB -0.990 18.210 19.000 0.333 0.000 0.818 130 A HN 0.421 nan 8.150 nan 0.000 0.445 131 V N 0.058 120.117 119.914 0.241 0.000 2.343 131 V HA -0.281 3.832 4.120 -0.011 0.000 0.247 131 V C 2.635 178.885 176.094 0.260 0.000 1.051 131 V CA 2.273 64.715 62.300 0.236 0.000 1.036 131 V CB -0.859 30.985 31.823 0.035 0.000 0.654 131 V HN 0.538 nan 8.190 nan 0.000 0.451 132 R N -0.274 120.327 120.500 0.168 0.000 2.092 132 R HA -0.018 4.316 4.340 -0.011 0.000 0.231 132 R C 2.267 178.696 176.300 0.215 0.000 1.119 132 R CA 1.205 57.402 56.100 0.162 0.000 0.970 132 R CB -0.365 29.995 30.300 0.100 0.000 0.864 132 R HN 0.421 nan 8.270 nan 0.000 0.440 133 L N 0.003 121.365 121.223 0.230 0.000 2.156 133 L HA -0.077 4.256 4.340 -0.011 0.000 0.208 133 L C 2.454 179.547 176.870 0.373 0.000 1.095 133 L CA 1.113 56.142 54.840 0.316 0.000 0.770 133 L CB -0.267 41.975 42.059 0.305 0.000 0.914 133 L HN 0.228 nan 8.230 nan 0.000 0.439 134 M N -1.306 118.503 119.600 0.348 0.000 2.236 134 M HA -0.078 4.396 4.480 -0.011 0.000 0.266 134 M C 1.128 177.369 176.300 -0.098 0.000 1.070 134 M CA 1.652 57.033 55.300 0.134 0.000 1.137 134 M CB 0.076 32.728 32.600 0.087 0.000 1.378 134 M HN 0.079 nan 8.290 nan 0.000 0.426 135 F N -0.472 119.513 119.950 0.058 0.000 2.639 135 F HA 0.121 4.641 4.527 -0.011 0.000 0.300 135 F C 2.114 177.986 175.800 0.120 0.000 1.109 135 F CA -0.034 57.989 58.000 0.038 0.000 1.335 135 F CB -0.371 38.558 39.000 -0.119 0.000 1.014 135 F HN 0.122 nan 8.300 nan 0.000 0.537 136 S N -1.918 113.907 115.700 0.209 0.000 2.452 136 S HA 0.068 4.531 4.470 -0.011 0.000 0.225 136 S C 0.631 175.278 174.600 0.078 0.000 1.057 136 S CA 0.267 58.564 58.200 0.162 0.000 0.949 136 S CB 0.043 63.334 63.200 0.151 0.000 0.836 136 S HN 0.137 nan 8.310 nan 0.000 0.518 137 D N 2.282 122.712 120.400 0.049 0.000 2.683 137 D HA 0.387 5.020 4.640 -0.011 0.000 0.309 137 D C -0.668 175.619 176.300 -0.022 0.000 1.238 137 D CA -0.107 53.898 54.000 0.009 0.000 0.936 137 D CB 0.663 41.470 40.800 0.011 0.000 1.001 137 D HN 0.383 nan 8.370 nan 0.000 0.505 138 L N 0.770 121.972 121.223 -0.036 0.000 2.439 138 L HA 0.205 4.538 4.340 -0.011 0.000 0.269 138 L C 0.872 177.705 176.870 -0.062 0.000 1.179 138 L CA -0.024 54.780 54.840 -0.060 0.000 0.828 138 L CB 0.744 42.759 42.059 -0.074 0.000 1.106 138 L HN -0.056 nan 8.230 nan 0.000 0.467 139 E N 2.696 122.862 120.200 -0.058 0.000 2.176 139 E HA 0.371 4.714 4.350 -0.011 0.000 0.267 139 E C -2.401 174.175 176.600 -0.039 0.000 0.893 139 E CA -2.040 54.331 56.400 -0.047 0.000 0.761 139 E CB 1.676 31.350 29.700 -0.043 0.000 1.133 139 E HN 0.300 nan 8.360 nan 0.000 0.409 140 P HA 0.005 nan 4.420 nan 0.000 0.268 140 P C -0.448 176.852 177.300 -0.001 0.000 1.205 140 P CA -0.083 63.015 63.100 -0.004 0.000 0.771 140 P CB 0.600 32.301 31.700 0.002 0.000 0.858 141 V N 0.274 120.196 119.914 0.012 0.000 3.181 141 V HA 0.757 4.870 4.120 -0.011 0.000 0.308 141 V C -2.832 173.276 176.094 0.023 0.000 1.214 141 V CA -3.006 59.298 62.300 0.006 0.000 1.053 141 V CB 1.514 33.332 31.823 -0.008 0.000 1.069 141 V HN 0.228 nan 8.190 nan 0.000 0.441 142 P HA 0.369 nan 4.420 nan 0.000 0.276 142 P C -0.610 176.718 177.300 0.046 0.000 1.244 142 P CA -0.460 62.657 63.100 0.028 0.000 0.801 142 P CB 0.605 32.310 31.700 0.009 0.000 1.006 143 L N 2.517 123.775 121.223 0.058 0.000 2.369 143 L HA 0.172 4.505 4.340 -0.011 0.000 0.279 143 L C 0.064 176.992 176.870 0.096 0.000 1.108 143 L CA -0.289 54.599 54.840 0.080 0.000 0.852 143 L CB 0.070 42.169 42.059 0.067 0.000 1.169 143 L HN 0.180 nan 8.230 nan 0.000 0.452 144 K N 6.846 127.313 120.400 0.111 0.000 2.130 144 K HA 0.543 4.857 4.320 -0.011 0.000 0.268 144 K C -0.639 176.045 176.600 0.140 0.000 0.983 144 K CA -0.427 55.931 56.287 0.119 0.000 0.893 144 K CB 2.186 34.782 32.500 0.160 0.000 1.066 144 K HN 0.582 nan 8.250 nan 0.000 0.450 145 I N 2.015 122.658 120.570 0.122 0.000 2.465 145 I HA 0.299 4.463 4.170 -0.011 0.000 0.291 145 I C 0.252 176.385 176.117 0.027 0.000 1.014 145 I CA -1.248 60.106 61.300 0.091 0.000 1.093 145 I CB 1.957 40.011 38.000 0.089 0.000 1.267 145 I HN 0.391 nan 8.210 nan 0.000 0.431 146 R N 5.878 126.370 120.500 -0.014 0.000 2.442 146 R HA 0.174 4.508 4.340 -0.011 0.000 0.291 146 R C -0.522 175.740 176.300 -0.063 0.000 1.069 146 R CA -0.009 56.065 56.100 -0.043 0.000 1.022 146 R CB 0.509 30.784 30.300 -0.041 0.000 0.976 146 R HN 0.444 nan 8.270 nan 0.000 0.443 147 K N 3.065 123.434 120.400 -0.051 0.000 2.382 147 K HA 0.157 4.471 4.320 -0.011 0.000 0.275 147 K C 0.928 177.482 176.600 -0.076 0.000 1.009 147 K CA 0.814 57.071 56.287 -0.050 0.000 0.970 147 K CB 0.600 33.085 32.500 -0.025 0.000 0.934 147 K HN 0.924 nan 8.250 nan 0.000 0.479 148 G N 1.297 110.049 108.800 -0.081 0.000 2.257 148 G HA2 -0.362 3.591 3.960 -0.011 0.000 0.267 148 G HA3 -0.362 3.591 3.960 -0.011 0.000 0.267 148 G C 0.268 175.110 174.900 -0.097 0.000 0.984 148 G CA 0.776 45.825 45.100 -0.086 0.000 0.626 148 G HN 0.755 nan 8.290 nan 0.000 0.540 149 S N -0.072 115.559 115.700 -0.114 0.000 2.568 149 S HA 0.551 5.015 4.470 -0.011 0.000 0.282 149 S C 0.515 175.024 174.600 -0.151 0.000 1.338 149 S CA 0.768 58.898 58.200 -0.118 0.000 1.045 149 S CB 1.728 64.849 63.200 -0.131 0.000 0.873 149 S HN 1.475 nan 8.310 nan 0.000 0.516 150 S N 1.064 116.696 115.700 -0.113 0.000 2.584 150 S HA 0.331 4.795 4.470 -0.011 0.000 0.273 150 S C 1.403 175.873 174.600 -0.218 0.000 1.311 150 S CA -0.112 58.013 58.200 -0.125 0.000 1.034 150 S CB 0.435 63.608 63.200 -0.046 0.000 0.939 150 S HN 1.020 nan 8.310 nan 0.000 0.513 151 T N 1.245 115.662 114.554 -0.228 0.000 3.148 151 T HA 0.145 4.489 4.350 -0.011 0.000 0.253 151 T C 1.341 175.868 174.700 -0.288 0.000 1.134 151 T CA 0.265 62.250 62.100 -0.192 0.000 1.051 151 T CB -1.577 67.272 68.868 -0.031 0.000 0.959 151 T HN 0.748 nan 8.240 nan 0.000 0.525 152 C N 0.506 119.454 119.300 -0.587 0.000 0.168 152 C HA -0.262 4.191 4.460 -0.011 0.000 0.017 152 C C 1.202 175.370 174.990 -1.372 0.000 0.171 152 C CA -0.611 57.666 59.018 -1.235 0.000 0.499 152 C CB -1.583 25.875 27.740 -0.469 0.000 3.212 152 C HN 0.732 nan 8.230 nan 0.000 1.118 153 I N 3.798 123.885 120.570 -0.805 0.000 2.683 153 I HA 0.098 4.261 4.170 -0.011 0.000 0.286 153 I C -0.849 175.069 176.117 -0.332 0.000 1.175 153 I CA -0.186 60.837 61.300 -0.461 0.000 1.429 153 I CB 0.630 38.477 38.000 -0.255 0.000 1.371 153 I HN 0.583 nan 8.210 nan 0.000 0.569 154 P HA 0.016 nan 4.420 nan 0.000 0.268 154 P C 0.842 178.029 177.300 -0.188 0.000 1.248 154 P CA 0.651 63.548 63.100 -0.338 0.000 0.851 154 P CB 0.322 31.758 31.700 -0.440 0.000 1.238 155 Y N -0.838 119.473 120.300 0.019 0.000 2.365 155 Y HA 0.224 4.763 4.550 -0.017 0.000 0.293 155 Y C 0.901 176.909 175.900 0.180 0.000 1.119 155 Y CA -0.114 58.039 58.100 0.089 0.000 1.203 155 Y CB -1.230 37.237 38.460 0.012 0.000 1.026 155 Y HN -0.281 nan 8.280 nan 0.000 0.549 156 F N 0.408 120.415 119.950 0.095 0.000 3.027 156 F HA -0.263 4.256 4.527 -0.013 0.000 0.276 156 F C 0.726 176.542 175.800 0.026 0.000 0.967 156 F CA 0.551 58.556 58.000 0.009 0.000 0.929 156 F CB -1.619 37.359 39.000 -0.037 0.000 0.873 156 F HN -0.014 nan 8.300 nan 0.000 0.787 157 S N -0.144 115.610 115.700 0.090 0.000 2.616 157 S HA 0.556 5.019 4.470 -0.011 0.000 0.277 157 S C 0.862 175.444 174.600 -0.030 0.000 1.234 157 S CA -0.208 58.015 58.200 0.038 0.000 1.028 157 S CB 1.063 64.265 63.200 0.003 0.000 0.988 157 S HN 0.355 nan 8.310 nan 0.000 0.522 158 N N 1.475 120.154 118.700 -0.035 0.000 2.159 158 N HA 0.185 4.918 4.740 -0.011 0.000 0.217 158 N C -1.275 174.191 175.510 -0.075 0.000 1.223 158 N CA -0.249 52.762 53.050 -0.065 0.000 0.896 158 N CB 0.472 38.934 38.487 -0.042 0.000 1.064 158 N HN 0.635 nan 8.380 nan 0.000 0.518 159 D N 0.511 120.870 120.400 -0.067 0.000 2.343 159 D HA 0.047 4.680 4.640 -0.011 0.000 0.255 159 D C 1.199 177.446 176.300 -0.088 0.000 1.187 159 D CA -0.239 53.719 54.000 -0.070 0.000 0.875 159 D CB 0.773 41.537 40.800 -0.060 0.000 1.136 159 D HN -0.112 nan 8.370 nan 0.000 0.469 160 M N 3.922 123.462 119.600 -0.099 0.000 2.108 160 M HA 0.022 4.495 4.480 -0.011 0.000 0.261 160 M C 1.844 178.078 176.300 -0.111 0.000 1.066 160 M CA 2.115 57.344 55.300 -0.119 0.000 1.107 160 M CB -0.753 31.746 32.600 -0.169 0.000 1.356 160 M HN 0.517 nan 8.290 nan 0.000 0.406 161 G N -1.661 107.075 108.800 -0.107 0.000 2.418 161 G HA2 -0.204 3.750 3.960 -0.011 0.000 0.217 161 G HA3 -0.204 3.750 3.960 -0.011 0.000 0.217 161 G C 1.441 176.308 174.900 -0.057 0.000 1.158 161 G CA 1.443 46.492 45.100 -0.085 0.000 0.771 161 G HN 0.509 nan 8.290 nan 0.000 0.545 162 T N 0.590 115.107 114.554 -0.063 0.000 2.857 162 T HA -0.012 4.332 4.350 -0.011 0.000 0.266 162 T C 2.342 177.028 174.700 -0.023 0.000 1.048 162 T CA 1.228 63.290 62.100 -0.062 0.000 1.139 162 T CB -0.094 68.724 68.868 -0.084 0.000 0.874 162 T HN 0.302 nan 8.240 nan 0.000 0.455 163 K N 0.685 121.066 120.400 -0.032 0.000 2.057 163 K HA 0.012 4.325 4.320 -0.011 0.000 0.206 163 K C 2.141 178.830 176.600 0.149 0.000 1.050 163 K CA 0.891 57.184 56.287 0.010 0.000 0.935 163 K CB -0.186 32.214 32.500 -0.167 0.000 0.715 163 K HN 0.233 nan 8.250 nan 0.000 0.439 164 I N 2.088 122.707 120.570 0.080 0.000 2.226 164 I HA -0.232 3.932 4.170 -0.011 0.000 0.245 164 I C 2.033 178.202 176.117 0.086 0.000 1.100 164 I CA 1.651 63.016 61.300 0.109 0.000 1.374 164 I CB -1.034 37.007 38.000 0.069 0.000 1.057 164 I HN 0.257 nan 8.210 nan 0.000 0.413 165 E N 0.779 121.006 120.200 0.045 0.000 2.072 165 E HA -0.176 4.168 4.350 -0.011 0.000 0.191 165 E C 2.384 179.006 176.600 0.035 0.000 0.985 165 E CA 1.036 57.449 56.400 0.021 0.000 0.801 165 E CB -0.121 29.570 29.700 -0.014 0.000 0.750 165 E HN 0.425 nan 8.360 nan 0.000 0.452 166 I N 1.463 122.078 120.570 0.075 0.000 2.163 166 I HA -0.304 3.859 4.170 -0.011 0.000 0.243 166 I C 2.610 178.763 176.117 0.060 0.000 1.085 166 I CA 1.132 62.496 61.300 0.107 0.000 1.347 166 I CB -0.320 37.824 38.000 0.240 0.000 1.044 166 I HN 0.100 nan 8.210 nan 0.000 0.408 167 A N 0.321 123.216 122.820 0.124 0.000 1.902 167 A HA -0.222 4.092 4.320 -0.011 0.000 0.217 167 A C 2.192 179.726 177.584 -0.083 0.000 1.181 167 A CA 1.677 53.682 52.037 -0.052 0.000 0.623 167 A CB -0.585 18.474 19.000 0.098 0.000 0.818 167 A HN 0.455 nan 8.150 nan 0.000 0.443 168 E N -0.912 119.278 120.200 -0.017 0.000 2.077 168 E HA -0.224 4.119 4.350 -0.011 0.000 0.193 168 E C 2.281 178.850 176.600 -0.052 0.000 0.989 168 E CA 1.265 57.645 56.400 -0.033 0.000 0.800 168 E CB -0.166 29.535 29.700 0.001 0.000 0.746 168 E HN 0.476 nan 8.360 nan 0.000 0.452 169 R N 1.472 121.951 120.500 -0.036 0.000 2.091 169 R HA -0.119 4.214 4.340 -0.011 0.000 0.238 169 R C 2.013 178.267 176.300 -0.078 0.000 1.136 169 R CA 1.727 57.805 56.100 -0.037 0.000 0.959 169 R CB -0.732 29.564 30.300 -0.007 0.000 0.856 169 R HN 0.149 nan 8.270 nan 0.000 0.437 170 A N 0.641 123.397 122.820 -0.107 0.000 1.902 170 A HA -0.095 4.218 4.320 -0.011 0.000 0.217 170 A C 2.266 179.729 177.584 -0.202 0.000 1.181 170 A CA 1.610 53.552 52.037 -0.158 0.000 0.623 170 A CB -0.661 18.207 19.000 -0.221 0.000 0.818 170 A HN 0.368 nan 8.150 nan 0.000 0.443 171 L N -1.128 119.937 121.223 -0.263 0.000 2.191 171 L HA -0.171 4.163 4.340 -0.011 0.000 0.212 171 L C 2.485 179.312 176.870 -0.071 0.000 1.103 171 L CA 1.519 56.135 54.840 -0.375 0.000 0.769 171 L CB -0.526 41.283 42.059 -0.416 0.000 0.908 171 L HN 0.500 nan 8.230 nan 0.000 0.438 172 E N -0.182 119.973 120.200 -0.075 0.000 2.158 172 E HA -0.100 4.244 4.350 -0.011 0.000 0.191 172 E C 1.526 178.048 176.600 -0.130 0.000 0.982 172 E CA 0.582 56.950 56.400 -0.053 0.000 0.823 172 E CB 0.392 30.062 29.700 -0.050 0.000 0.766 172 E HN 0.165 nan 8.360 nan 0.000 0.468 173 K N -0.425 119.852 120.400 -0.205 0.000 2.373 173 K HA 0.240 4.553 4.320 -0.011 0.000 0.202 173 K C 1.300 177.651 176.600 -0.415 0.000 1.025 173 K CA 0.246 56.294 56.287 -0.398 0.000 1.115 173 K CB 1.050 33.163 32.500 -0.644 0.000 0.858 173 K HN 0.019 nan 8.250 nan 0.000 0.525 174 A N 1.547 124.250 122.820 -0.194 0.000 1.908 174 A HA -0.224 4.089 4.320 -0.011 0.000 0.218 174 A C 2.172 179.655 177.584 -0.168 0.000 1.181 174 A CA 1.864 53.894 52.037 -0.011 0.000 0.627 174 A CB -0.284 18.939 19.000 0.373 0.000 0.818 174 A HN 0.446 nan 8.150 nan 0.000 0.445 175 E N -0.381 119.388 120.200 -0.718 0.000 2.077 175 E HA -0.252 4.092 4.350 -0.011 0.000 0.193 175 E C 2.037 178.274 176.600 -0.605 0.000 0.989 175 E CA 1.389 56.932 56.400 -1.429 0.000 0.800 175 E CB -0.186 28.473 29.700 -1.736 0.000 0.746 175 E HN 0.759 nan 8.360 nan 0.000 0.452 176 E N -0.345 119.609 120.200 -0.410 0.000 2.150 176 E HA -0.166 4.178 4.350 -0.011 0.000 0.193 176 E C 1.841 178.389 176.600 -0.086 0.000 0.985 176 E CA 0.821 57.095 56.400 -0.210 0.000 0.814 176 E CB -0.069 29.528 29.700 -0.171 0.000 0.752 176 E HN 0.342 nan 8.360 nan 0.000 0.466 177 A N 0.844 123.589 122.820 -0.125 0.000 1.873 177 A HA -0.034 4.280 4.320 -0.011 0.000 0.215 177 A C 2.443 180.061 177.584 0.057 0.000 1.186 177 A CA 1.505 53.566 52.037 0.040 0.000 0.616 177 A CB -1.250 17.770 19.000 0.032 0.000 0.823 177 A HN 0.433 nan 8.150 nan 0.000 0.442 178 G N 0.232 109.105 108.800 0.122 0.000 2.476 178 G HA2 -0.330 3.624 3.960 -0.011 0.000 0.218 178 G HA3 -0.330 3.624 3.960 -0.011 0.000 0.218 178 G C 1.423 176.412 174.900 0.148 0.000 1.164 178 G CA 1.233 46.468 45.100 0.226 0.000 0.768 178 G HN 0.517 nan 8.290 nan 0.000 0.560 179 N N 0.381 119.153 118.700 0.121 0.000 2.166 179 N HA -0.018 4.715 4.740 -0.011 0.000 0.186 179 N C 2.296 177.804 175.510 -0.004 0.000 1.019 179 N CA 0.593 53.687 53.050 0.073 0.000 0.856 179 N CB -0.328 38.181 38.487 0.037 0.000 0.993 179 N HN 0.312 nan 8.380 nan 0.000 0.426 180 L N 0.479 121.687 121.223 -0.026 0.000 2.046 180 L HA -0.111 4.222 4.340 -0.011 0.000 0.208 180 L C 2.297 179.039 176.870 -0.213 0.000 1.077 180 L CA 1.054 55.849 54.840 -0.076 0.000 0.747 180 L CB -0.282 41.754 42.059 -0.038 0.000 0.896 180 L HN 0.157 nan 8.230 nan 0.000 0.432 181 M N -0.891 118.544 119.600 -0.274 0.000 2.175 181 M HA -0.207 4.267 4.480 -0.011 0.000 0.264 181 M C 2.232 178.271 176.300 -0.435 0.000 1.063 181 M CA 1.608 56.521 55.300 -0.644 0.000 1.119 181 M CB -0.370 31.982 32.600 -0.413 0.000 1.377 181 M HN 0.197 nan 8.290 nan 0.000 0.415 182 L N -0.016 121.121 121.223 -0.144 0.000 2.187 182 L HA -0.224 4.110 4.340 -0.011 0.000 0.213 182 L C 2.037 178.869 176.870 -0.063 0.000 1.100 182 L CA 1.242 56.056 54.840 -0.043 0.000 0.765 182 L CB -0.539 41.541 42.059 0.035 0.000 0.904 182 L HN 0.410 nan 8.230 nan 0.000 0.437 183 Q N -0.409 119.330 119.800 -0.102 0.000 2.365 183 Q HA 0.117 4.451 4.340 -0.011 0.000 0.203 183 Q C 1.354 177.304 176.000 -0.084 0.000 0.929 183 Q CA 0.500 56.264 55.803 -0.065 0.000 0.948 183 Q CB 0.482 29.192 28.738 -0.048 0.000 1.043 183 Q HN 0.561 nan 8.270 nan 0.000 0.505 184 G N 1.809 110.499 108.800 -0.184 0.000 2.162 184 G HA2 -0.310 3.643 3.960 -0.011 0.000 0.260 184 G HA3 -0.310 3.643 3.960 -0.011 0.000 0.260 184 G C 0.151 174.965 174.900 -0.144 0.000 0.976 184 G CA 0.041 45.074 45.100 -0.111 0.000 0.655 184 G HN 0.264 nan 8.290 nan 0.000 0.533 185 K N 0.396 120.638 120.400 -0.263 0.000 2.758 185 K HA 0.476 4.790 4.320 -0.011 0.000 0.250 185 K C 1.038 177.554 176.600 -0.141 0.000 1.268 185 K CA -0.653 55.560 56.287 -0.124 0.000 1.228 185 K CB -0.291 32.161 32.500 -0.079 0.000 1.715 185 K HN 0.295 nan 8.250 nan 0.000 0.334 186 F N 0.472 120.443 119.950 0.036 0.000 2.186 186 F HA -0.192 4.328 4.527 -0.011 0.000 0.299 186 F C 1.744 177.576 175.800 0.054 0.000 1.090 186 F CA 1.027 59.051 58.000 0.039 0.000 1.307 186 F CB 0.025 39.033 39.000 0.014 0.000 1.019 186 F HN 0.320 nan 8.300 nan 0.000 0.489 187 D N 0.246 120.771 120.400 0.209 0.000 2.117 187 D HA -0.157 4.476 4.640 -0.011 0.000 0.197 187 D C 1.806 178.183 176.300 0.129 0.000 0.987 187 D CA 1.370 55.462 54.000 0.153 0.000 0.829 187 D CB -0.451 40.405 40.800 0.094 0.000 0.961 187 D HN 0.216 nan 8.370 nan 0.000 0.460 188 D N 0.232 120.674 120.400 0.070 0.000 2.117 188 D HA -0.072 4.562 4.640 -0.011 0.000 0.198 188 D C 2.004 178.310 176.300 0.010 0.000 0.982 188 D CA 1.179 55.189 54.000 0.016 0.000 0.828 188 D CB -0.283 40.511 40.800 -0.010 0.000 0.967 188 D HN 0.141 nan 8.370 nan 0.000 0.464 189 A N 0.125 122.980 122.820 0.058 0.000 1.933 189 A HA -0.209 4.105 4.320 -0.011 0.000 0.218 189 A C 2.172 179.827 177.584 0.118 0.000 1.175 189 A CA 1.158 53.257 52.037 0.103 0.000 0.628 189 A CB -0.926 18.136 19.000 0.104 0.000 0.814 189 A HN 0.327 nan 8.150 nan 0.000 0.444 190 Y N 0.483 120.794 120.300 0.018 0.000 2.163 190 Y HA -0.197 4.349 4.550 -0.006 0.000 0.288 190 Y C 2.465 178.329 175.900 -0.059 0.000 1.136 190 Y CA 2.209 60.299 58.100 -0.015 0.000 1.147 190 Y CB -0.467 37.979 38.460 -0.023 0.000 0.987 190 Y HN 0.427 nan 8.280 nan 0.000 0.509 191 Q N -0.170 119.556 119.800 -0.125 0.000 2.084 191 Q HA -0.159 4.175 4.340 -0.011 0.000 0.202 191 Q C 2.246 178.079 176.000 -0.277 0.000 0.978 191 Q CA 2.035 57.702 55.803 -0.226 0.000 0.844 191 Q CB -0.159 28.535 28.738 -0.074 0.000 0.898 191 Q HN 0.507 nan 8.270 nan 0.000 0.426 192 L N -0.885 120.150 121.223 -0.312 0.000 2.162 192 L HA -0.076 4.258 4.340 -0.011 0.000 0.205 192 L C 1.406 177.916 176.870 -0.601 0.000 1.086 192 L CA 0.705 55.227 54.840 -0.531 0.000 0.778 192 L CB 0.017 41.568 42.059 -0.847 0.000 0.928 192 L HN 0.324 nan 8.230 nan 0.000 0.446 193 H N -1.113 117.895 119.070 -0.102 0.000 2.923 193 H HA 0.204 4.758 4.556 -0.002 0.000 0.268 193 H C 0.142 175.399 175.328 -0.118 0.000 1.148 193 H CA -0.127 55.870 56.048 -0.085 0.000 1.146 193 H CB 0.777 30.508 29.762 -0.052 0.000 1.607 193 H HN 0.115 nan 8.280 nan 0.000 0.566 194 Q N -0.033 119.656 119.800 -0.185 0.000 2.480 194 Q HA -0.186 4.148 4.340 -0.011 0.000 0.265 194 Q C -0.224 175.766 176.000 -0.016 0.000 1.072 194 Q CA 0.755 56.370 55.803 -0.312 0.000 1.018 194 Q CB -1.892 26.707 28.738 -0.231 0.000 1.433 194 Q HN 0.478 nan 8.270 nan 0.000 0.513 195 M N 0.091 119.746 119.600 0.092 0.000 2.206 195 M HA 0.522 4.996 4.480 -0.011 0.000 0.353 195 M C 0.826 177.249 176.300 0.205 0.000 1.242 195 M CA 0.428 55.797 55.300 0.116 0.000 1.179 195 M CB 0.877 33.535 32.600 0.096 0.000 1.374 195 M HN 0.403 nan 8.290 nan 0.000 0.427 196 G N 0.957 109.861 108.800 0.174 0.000 2.291 196 G HA2 0.389 4.342 3.960 -0.011 0.000 0.249 196 G HA3 0.389 4.342 3.960 -0.011 0.000 0.249 196 G C -0.190 174.635 174.900 -0.125 0.000 1.340 196 G CA -0.014 45.135 45.100 0.081 0.000 1.017 196 G HN 0.995 nan 8.290 nan 0.000 0.470 197 G N -0.534 107.978 108.800 -0.480 0.000 2.866 197 G HA2 0.445 4.398 3.960 -0.011 0.000 0.274 197 G HA3 0.445 4.398 3.960 -0.011 0.000 0.274 197 G C 0.723 175.402 174.900 -0.367 0.000 1.413 197 G CA 2.205 46.877 45.100 -0.713 0.000 0.997 197 G HN 2.949 nan 8.290 nan 0.000 0.559 198 A N -2.236 120.412 122.820 -0.287 0.000 2.566 198 A HA 0.699 5.012 4.320 -0.011 0.000 0.290 198 A C -1.313 176.133 177.584 -0.229 0.000 1.071 198 A CA -0.219 51.715 52.037 -0.172 0.000 0.658 198 A CB 0.297 19.295 19.000 -0.003 0.000 1.285 198 A HN 1.509 nan 8.150 nan 0.000 0.427 199 Y N -0.408 119.925 120.300 0.055 0.000 2.307 199 Y HA 0.479 5.024 4.550 -0.008 0.000 0.324 199 Y C -0.164 175.856 175.900 0.199 0.000 1.238 199 Y CA 0.605 58.755 58.100 0.084 0.000 1.280 199 Y CB 1.111 39.591 38.460 0.033 0.000 1.248 199 Y HN 0.625 nan 8.280 nan 0.000 0.508 200 Y N 2.412 122.865 120.300 0.254 0.000 2.353 200 Y HA 0.530 5.074 4.550 -0.010 0.000 0.340 200 Y C -0.992 175.042 175.900 0.223 0.000 0.972 200 Y CA -1.047 57.247 58.100 0.324 0.000 1.157 200 Y CB 0.539 39.241 38.460 0.404 0.000 1.157 200 Y HN 0.313 nan 8.280 nan 0.000 0.495 201 V N 8.504 128.302 119.914 -0.192 0.000 2.385 201 V HA 0.345 4.458 4.120 -0.011 0.000 0.269 201 V C -0.047 175.701 176.094 -0.576 0.000 1.043 201 V CA -0.374 61.723 62.300 -0.338 0.000 0.906 201 V CB 0.385 31.989 31.823 -0.365 0.000 0.995 201 V HN 0.679 nan 8.190 nan 0.000 0.467 202 V N 3.110 122.757 119.914 -0.446 0.000 3.096 202 V HA 0.689 4.802 4.120 -0.011 0.000 0.319 202 V C -1.195 174.541 176.094 -0.596 0.000 1.103 202 V CA -1.023 61.038 62.300 -0.397 0.000 1.016 202 V CB 1.945 33.736 31.823 -0.054 0.000 1.090 202 V HN 0.564 nan 8.190 nan 0.000 0.449 203 Y N 0.970 121.238 120.300 -0.053 0.000 2.335 203 Y HA 0.718 5.262 4.550 -0.010 0.000 0.338 203 Y C 0.587 176.465 175.900 -0.036 0.000 0.977 203 Y CA -0.608 57.461 58.100 -0.052 0.000 1.114 203 Y CB 1.615 40.039 38.460 -0.061 0.000 1.182 203 Y HN 0.541 nan 8.280 nan 0.000 0.463 204 R N 1.553 122.105 120.500 0.087 0.000 2.787 204 R HA 0.830 5.163 4.340 -0.011 0.000 0.271 204 R C -0.697 175.586 176.300 -0.028 0.000 0.993 204 R CA -1.215 54.892 56.100 0.011 0.000 0.993 204 R CB 1.841 32.145 30.300 0.007 0.000 1.155 204 R HN 0.747 nan 8.270 nan 0.000 0.486 205 A N 1.497 124.243 122.820 -0.124 0.000 2.331 205 A HA 0.172 4.485 4.320 -0.011 0.000 0.283 205 A C -0.356 177.150 177.584 -0.129 0.000 1.142 205 A CA -0.354 51.610 52.037 -0.122 0.000 0.812 205 A CB 0.718 19.622 19.000 -0.160 0.000 1.074 205 A HN 0.680 nan 8.150 nan 0.000 0.497 206 Q N 2.165 121.901 119.800 -0.106 0.000 2.400 206 Q HA 0.317 4.650 4.340 -0.011 0.000 0.255 206 Q C 0.672 176.583 176.000 -0.148 0.000 1.008 206 Q CA 0.065 55.800 55.803 -0.112 0.000 0.841 206 Q CB 0.872 29.552 28.738 -0.096 0.000 1.220 206 Q HN 0.880 nan 8.270 nan 0.000 0.474 207 S N 1.901 117.527 115.700 -0.124 0.000 2.474 207 S HA -0.036 4.427 4.470 -0.011 0.000 0.235 207 S C 0.707 175.212 174.600 -0.159 0.000 0.997 207 S CA 0.867 59.002 58.200 -0.108 0.000 0.949 207 S CB -0.218 62.971 63.200 -0.018 0.000 0.766 207 S HN 0.698 nan 8.310 nan 0.000 0.517 208 T N -1.184 113.281 114.554 -0.148 0.000 2.893 208 T HA 0.720 5.064 4.350 -0.011 0.000 0.291 208 T C -1.497 173.117 174.700 -0.143 0.000 1.028 208 T CA -0.750 61.299 62.100 -0.085 0.000 0.995 208 T CB 2.269 71.183 68.868 0.078 0.000 1.051 208 T HN 0.084 nan 8.240 nan 0.000 0.470 209 D N -0.028 120.349 120.400 -0.038 0.000 2.622 209 D HA 0.569 5.202 4.640 -0.011 0.000 0.255 209 D C -0.718 175.663 176.300 0.135 0.000 1.246 209 D CA -0.453 53.544 54.000 -0.006 0.000 0.795 209 D CB 2.059 42.810 40.800 -0.082 0.000 1.369 209 D HN 0.938 nan 8.370 nan 0.000 0.425 210 A N 1.310 124.167 122.820 0.061 0.000 2.462 210 A HA 0.571 4.884 4.320 -0.011 0.000 0.243 210 A C -0.084 177.523 177.584 0.038 0.000 1.076 210 A CA 0.246 52.319 52.037 0.059 0.000 0.773 210 A CB -0.006 19.010 19.000 0.025 0.000 1.010 210 A HN 0.464 nan 8.150 nan 0.000 0.493 211 I N 1.131 121.749 120.570 0.081 0.000 2.656 211 I HA 0.431 4.595 4.170 -0.011 0.000 0.292 211 I C 0.062 176.324 176.117 0.242 0.000 1.144 211 I CA -0.404 60.928 61.300 0.052 0.000 1.038 211 I CB 2.914 40.930 38.000 0.025 0.000 1.244 211 I HN 0.822 nan 8.210 nan 0.000 0.420 212 T N 2.637 117.305 114.554 0.190 0.000 2.916 212 T HA 0.709 5.053 4.350 -0.011 0.000 0.292 212 T C -1.012 173.762 174.700 0.123 0.000 1.064 212 T CA -0.798 61.447 62.100 0.242 0.000 1.011 212 T CB 2.218 71.158 68.868 0.120 0.000 1.152 212 T HN 0.327 nan 8.240 nan 0.000 0.510 213 L N 1.928 123.159 121.223 0.013 0.000 2.298 213 L HA 0.510 4.843 4.340 -0.011 0.000 0.284 213 L C -0.607 176.145 176.870 -0.197 0.000 1.013 213 L CA -0.429 54.177 54.840 -0.390 0.000 0.824 213 L CB 0.986 42.630 42.059 -0.691 0.000 1.221 213 L HN 0.794 nan 8.230 nan 0.000 0.418 214 D N 7.096 127.385 120.400 -0.185 0.000 2.338 214 D HA 0.179 4.813 4.640 -0.011 0.000 0.255 214 D C -1.823 174.406 176.300 -0.118 0.000 1.237 214 D CA -1.844 52.094 54.000 -0.103 0.000 0.883 214 D CB 1.741 42.501 40.800 -0.068 0.000 1.087 214 D HN 0.407 nan 8.370 nan 0.000 0.485 215 P HA -0.173 nan 4.420 nan 0.000 0.216 215 P C 1.369 178.632 177.300 -0.062 0.000 1.153 215 P CA 0.922 63.980 63.100 -0.070 0.000 0.858 215 P CB 0.352 32.028 31.700 -0.039 0.000 0.789 216 K N -0.803 119.569 120.400 -0.047 0.000 2.009 216 K HA -0.119 4.195 4.320 -0.011 0.000 0.210 216 K C 2.263 178.837 176.600 -0.043 0.000 1.049 216 K CA 1.850 58.115 56.287 -0.037 0.000 0.929 216 K CB -1.290 31.194 32.500 -0.027 0.000 0.714 216 K HN 0.114 nan 8.250 nan 0.000 0.440 217 T N -1.430 113.093 114.554 -0.052 0.000 3.014 217 T HA 0.066 4.410 4.350 -0.011 0.000 0.263 217 T C 1.077 175.733 174.700 -0.074 0.000 1.078 217 T CA 1.482 63.551 62.100 -0.052 0.000 1.135 217 T CB -0.117 68.725 68.868 -0.042 0.000 0.895 217 T HN 0.533 nan 8.240 nan 0.000 0.480 218 G N 1.255 109.985 108.800 -0.118 0.000 2.179 218 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.260 218 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.260 218 G C 0.066 174.834 174.900 -0.221 0.000 0.977 218 G CA 0.311 45.316 45.100 -0.158 0.000 0.641 218 G HN 0.481 nan 8.290 nan 0.000 0.533 219 K N -0.097 120.197 120.400 -0.176 0.000 2.118 219 K HA 0.709 5.023 4.320 -0.011 0.000 0.254 219 K C 0.032 176.531 176.600 -0.168 0.000 0.961 219 K CA -0.942 55.277 56.287 -0.113 0.000 0.876 219 K CB 0.743 33.244 32.500 0.002 0.000 1.077 219 K HN 0.096 nan 8.250 nan 0.000 0.440 220 F N 0.133 120.075 119.950 -0.014 0.000 2.371 220 F HA 0.334 4.855 4.527 -0.011 0.000 0.329 220 F C 0.482 176.384 175.800 0.171 0.000 1.107 220 F CA -0.723 57.292 58.000 0.025 0.000 1.137 220 F CB 1.097 40.122 39.000 0.043 0.000 1.214 220 F HN -0.066 nan 8.300 nan 0.000 0.536 221 V N 1.792 121.848 119.914 0.237 0.000 2.525 221 V HA 0.321 4.434 4.120 -0.011 0.000 0.299 221 V C -0.571 175.404 176.094 -0.198 0.000 1.034 221 V CA -0.978 61.359 62.300 0.062 0.000 0.863 221 V CB 1.726 33.565 31.823 0.026 0.000 0.999 221 V HN 0.828 nan 8.190 nan 0.000 0.423 222 S N 3.709 119.066 115.700 -0.571 0.000 2.586 222 S HA 0.503 4.966 4.470 -0.011 0.000 0.274 222 S C -0.239 174.200 174.600 -0.267 0.000 1.281 222 S CA -0.707 57.085 58.200 -0.680 0.000 1.035 222 S CB 1.083 63.587 63.200 -1.161 0.000 0.962 222 S HN 0.734 nan 8.310 nan 0.000 0.512 223 K N 1.332 121.634 120.400 -0.163 0.000 2.451 223 K HA 0.030 4.344 4.320 -0.011 0.000 0.280 223 K C -0.798 175.760 176.600 -0.070 0.000 1.020 223 K CA -0.151 56.088 56.287 -0.081 0.000 1.008 223 K CB 0.073 32.547 32.500 -0.044 0.000 0.917 223 K HN 0.575 nan 8.250 nan 0.000 0.478 224 D N 3.335 123.707 120.400 -0.047 0.000 2.389 224 D HA 0.117 4.751 4.640 -0.011 0.000 0.247 224 D C -0.296 175.980 176.300 -0.040 0.000 1.128 224 D CA 0.298 54.277 54.000 -0.034 0.000 0.884 224 D CB 0.688 41.477 40.800 -0.017 0.000 1.194 224 D HN 0.296 nan 8.370 nan 0.000 0.441 225 R N 2.484 122.954 120.500 -0.050 0.000 2.439 225 R HA 0.317 4.651 4.340 -0.011 0.000 0.310 225 R C -0.257 175.976 176.300 -0.113 0.000 0.955 225 R CA -0.820 55.240 56.100 -0.067 0.000 0.853 225 R CB 1.240 31.503 30.300 -0.061 0.000 1.171 225 R HN 0.367 nan 8.270 nan 0.000 0.449 226 M N 3.075 122.602 119.600 -0.123 0.000 2.217 226 M HA 0.266 4.740 4.480 -0.011 0.000 0.354 226 M C 0.428 176.564 176.300 -0.274 0.000 1.225 226 M CA -0.537 54.647 55.300 -0.193 0.000 1.137 226 M CB 0.786 33.299 32.600 -0.144 0.000 1.576 226 M HN 0.368 nan 8.290 nan 0.000 0.461 227 V N -0.046 119.589 119.914 -0.464 0.000 2.962 227 V HA 1.010 5.123 4.120 -0.011 0.000 0.313 227 V C -0.527 175.250 176.094 -0.528 0.000 1.099 227 V CA -1.307 60.720 62.300 -0.455 0.000 0.971 227 V CB 1.570 33.109 31.823 -0.473 0.000 1.028 227 V HN 0.930 nan 8.190 nan 0.000 0.430 228 A N 2.209 124.853 122.820 -0.294 0.000 2.305 228 A HA 0.791 5.104 4.320 -0.011 0.000 0.322 228 A C -0.194 177.454 177.584 0.106 0.000 1.187 228 A CA -0.339 51.566 52.037 -0.221 0.000 0.825 228 A CB 0.457 19.388 19.000 -0.115 0.000 1.164 228 A HN 1.156 nan 8.150 nan 0.000 0.498 229 D N 0.897 121.426 120.400 0.215 0.000 2.478 229 D HA 0.174 4.807 4.640 -0.011 0.000 0.269 229 D C 0.794 177.071 176.300 -0.039 0.000 1.232 229 D CA -0.608 53.541 54.000 0.248 0.000 1.059 229 D CB 0.006 40.968 40.800 0.270 0.000 1.104 229 D HN 0.356 nan 8.370 nan 0.000 0.566 230 F N 0.167 119.747 119.950 -0.616 0.000 2.126 230 F HA -0.177 4.343 4.527 -0.011 0.000 0.299 230 F C 2.058 177.631 175.800 -0.378 0.000 1.096 230 F CA 1.558 58.991 58.000 -0.946 0.000 1.255 230 F CB 0.029 38.219 39.000 -1.350 0.000 0.997 230 F HN 0.160 nan 8.300 nan 0.000 0.479 231 E N -0.192 119.782 120.200 -0.376 0.000 2.058 231 E HA -0.288 4.056 4.350 -0.011 0.000 0.194 231 E C 2.103 178.546 176.600 -0.261 0.000 0.997 231 E CA 1.736 57.933 56.400 -0.338 0.000 0.801 231 E CB -1.091 28.559 29.700 -0.084 0.000 0.746 231 E HN 0.654 nan 8.360 nan 0.000 0.450 232 Y N 0.976 121.154 120.300 -0.203 0.000 2.128 232 Y HA -0.276 4.267 4.550 -0.011 0.000 0.284 232 Y C 2.285 178.089 175.900 -0.161 0.000 1.154 232 Y CA 2.000 60.024 58.100 -0.127 0.000 1.149 232 Y CB -0.183 38.258 38.460 -0.033 0.000 0.976 232 Y HN 0.058 nan 8.280 nan 0.000 0.505 233 A N -0.493 122.355 122.820 0.048 0.000 1.930 233 A HA -0.162 4.152 4.320 -0.011 0.000 0.217 233 A C 2.142 179.632 177.584 -0.157 0.000 1.175 233 A CA 2.041 54.092 52.037 0.023 0.000 0.627 233 A CB -1.428 17.651 19.000 0.132 0.000 0.815 233 A HN 0.506 nan 8.150 nan 0.000 0.443 234 V N -2.374 117.295 119.914 -0.408 0.000 3.306 234 V HA -0.003 4.111 4.120 -0.011 0.000 0.264 234 V C 1.660 177.590 176.094 -0.273 0.000 1.149 234 V CA 1.832 63.905 62.300 -0.379 0.000 1.143 234 V CB -1.240 30.221 31.823 -0.602 0.000 0.767 234 V HN 0.641 nan 8.190 nan 0.000 0.476 235 T N -3.167 111.219 114.554 -0.280 0.000 3.176 235 T HA 0.479 4.822 4.350 -0.011 0.000 0.263 235 T C 1.491 176.046 174.700 -0.243 0.000 1.021 235 T CA 0.460 62.420 62.100 -0.235 0.000 0.905 235 T CB 0.004 68.730 68.868 -0.237 0.000 1.057 235 T HN 1.434 nan 8.240 nan 0.000 0.558 236 G N 0.881 109.546 108.800 -0.225 0.000 2.203 236 G HA2 0.047 4.000 3.960 -0.011 0.000 0.263 236 G HA3 0.047 4.000 3.960 -0.011 0.000 0.263 236 G C 1.118 175.795 174.900 -0.372 0.000 1.012 236 G CA 0.401 45.379 45.100 -0.204 0.000 0.749 236 G HN 1.861 nan 8.290 nan 0.000 0.512 237 G N -1.339 107.011 108.800 -0.750 0.000 2.176 237 G HA2 -0.277 3.677 3.960 -0.011 0.000 0.253 237 G HA3 -0.277 3.677 3.960 -0.011 0.000 0.253 237 G C 0.781 175.256 174.900 -0.710 0.000 0.979 237 G CA 1.205 45.407 45.100 -1.496 0.000 0.641 237 G HN 0.754 nan 8.290 nan 0.000 0.530 238 E N -0.208 119.747 120.200 -0.409 0.000 2.150 238 E HA 0.045 4.389 4.350 -0.011 0.000 0.193 238 E C 1.592 178.077 176.600 -0.193 0.000 0.985 238 E CA 1.108 57.369 56.400 -0.233 0.000 0.814 238 E CB 0.082 29.687 29.700 -0.159 0.000 0.752 238 E HN 0.735 nan 8.360 nan 0.000 0.466 239 Q N -1.830 117.841 119.800 -0.215 0.000 2.814 239 Q HA 0.497 4.830 4.340 -0.011 0.000 0.283 239 Q C 0.085 176.047 176.000 -0.064 0.000 1.071 239 Q CA -0.398 55.336 55.803 -0.115 0.000 0.849 239 Q CB 2.019 30.701 28.738 -0.094 0.000 1.437 239 Q HN 0.193 nan 8.270 nan 0.000 0.492 240 G N 0.658 109.470 108.800 0.020 0.000 2.598 240 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.244 240 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.244 240 G C -0.612 174.439 174.900 0.252 0.000 1.302 240 G CA -0.187 44.980 45.100 0.112 0.000 0.903 240 G HN 1.082 nan 8.290 nan 0.000 0.575 241 S N -1.799 114.089 115.700 0.313 0.000 2.607 241 S HA 0.713 5.177 4.470 -0.011 0.000 0.273 241 S C -1.151 173.516 174.600 0.111 0.000 1.148 241 S CA -0.352 58.022 58.200 0.290 0.000 0.833 241 S CB 2.278 65.586 63.200 0.179 0.000 1.130 241 S HN 1.866 nan 8.310 nan 0.000 0.470 242 L N 2.555 123.747 121.223 -0.052 0.000 2.305 242 L HA 0.853 5.186 4.340 -0.011 0.000 0.284 242 L C -1.336 175.569 176.870 0.058 0.000 1.013 242 L CA -0.426 54.239 54.840 -0.292 0.000 0.819 242 L CB 0.479 42.268 42.059 -0.450 0.000 1.227 242 L HN 0.791 nan 8.230 nan 0.000 0.417 243 F N 3.184 123.056 119.950 -0.130 0.000 2.664 243 F HA 0.902 5.423 4.527 -0.011 0.000 0.317 243 F C -0.340 175.430 175.800 -0.051 0.000 1.108 243 F CA -1.349 56.611 58.000 -0.065 0.000 0.957 243 F CB 0.734 39.711 39.000 -0.038 0.000 1.365 243 F HN 0.534 nan 8.300 nan 0.000 0.475 244 A N 1.584 124.459 122.820 0.091 0.000 2.451 244 A HA 0.632 4.945 4.320 -0.011 0.000 0.266 244 A C 0.377 177.965 177.584 0.007 0.000 1.119 244 A CA 0.085 52.123 52.037 0.001 0.000 0.786 244 A CB -0.869 18.167 19.000 0.061 0.000 1.061 244 A HN 1.446 nan 8.150 nan 0.000 0.503 245 A N 2.688 125.436 122.820 -0.121 0.000 2.386 245 A HA 0.502 4.815 4.320 -0.011 0.000 0.246 245 A C 0.867 178.481 177.584 0.050 0.000 1.089 245 A CA 0.376 52.376 52.037 -0.062 0.000 0.790 245 A CB 0.127 19.062 19.000 -0.107 0.000 1.042 245 A HN 1.382 nan 8.150 nan 0.000 0.497 246 S N -0.343 115.409 115.700 0.087 0.000 2.430 246 S HA 0.285 4.748 4.470 -0.011 0.000 0.289 246 S C 0.594 175.265 174.600 0.118 0.000 1.143 246 S CA -0.544 57.717 58.200 0.103 0.000 1.067 246 S CB 0.149 63.412 63.200 0.104 0.000 0.964 246 S HN 0.591 nan 8.310 nan 0.000 0.485 247 K N 2.588 123.075 120.400 0.145 0.000 2.374 247 K HA 0.083 4.396 4.320 -0.011 0.000 0.196 247 K C 0.025 176.810 176.600 0.309 0.000 1.023 247 K CA -0.170 56.246 56.287 0.215 0.000 1.103 247 K CB 0.161 32.770 32.500 0.182 0.000 0.848 247 K HN 0.588 nan 8.250 nan 0.000 0.528 248 D N 0.960 121.502 120.400 0.237 0.000 2.472 248 D HA -0.046 4.588 4.640 -0.011 0.000 0.248 248 D C 0.404 176.774 176.300 0.117 0.000 1.174 248 D CA 0.099 54.211 54.000 0.187 0.000 0.883 248 D CB 1.162 42.032 40.800 0.117 0.000 1.149 248 D HN 0.205 nan 8.370 nan 0.000 0.488 249 A N 3.204 126.054 122.820 0.051 0.000 2.275 249 A HA 0.036 4.349 4.320 -0.011 0.000 0.212 249 A C 2.185 179.742 177.584 -0.045 0.000 1.201 249 A CA 0.047 52.089 52.037 0.008 0.000 0.843 249 A CB 0.069 19.066 19.000 -0.005 0.000 0.873 249 A HN 0.535 nan 8.150 nan 0.000 0.492 250 S N 1.052 116.729 115.700 -0.039 0.000 2.372 250 S HA -0.296 4.167 4.470 -0.011 0.000 0.227 250 S C 2.196 176.766 174.600 -0.050 0.000 1.044 250 S CA 1.953 60.124 58.200 -0.048 0.000 1.050 250 S CB -0.425 62.757 63.200 -0.030 0.000 0.901 250 S HN 0.883 nan 8.310 nan 0.000 0.447 251 R N 1.528 122.008 120.500 -0.034 0.000 2.154 251 R HA -0.125 4.208 4.340 -0.011 0.000 0.248 251 R C 1.932 178.186 176.300 -0.078 0.000 1.155 251 R CA 1.614 57.686 56.100 -0.047 0.000 0.979 251 R CB -0.987 29.304 30.300 -0.015 0.000 0.869 251 R HN 0.373 nan 8.270 nan 0.000 0.452 252 L N 0.651 121.830 121.223 -0.074 0.000 2.191 252 L HA -0.122 4.212 4.340 -0.011 0.000 0.212 252 L C 2.620 179.456 176.870 -0.057 0.000 1.103 252 L CA 1.359 56.158 54.840 -0.068 0.000 0.769 252 L CB -0.527 41.362 42.059 -0.283 0.000 0.908 252 L HN 0.201 nan 8.230 nan 0.000 0.438 253 K N 1.198 121.552 120.400 -0.077 0.000 1.973 253 K HA -0.200 4.113 4.320 -0.011 0.000 0.210 253 K C 2.091 178.649 176.600 -0.070 0.000 1.045 253 K CA 1.886 58.135 56.287 -0.063 0.000 0.937 253 K CB -0.295 32.167 32.500 -0.063 0.000 0.721 253 K HN 0.373 nan 8.250 nan 0.000 0.438 254 E N 0.567 120.714 120.200 -0.087 0.000 2.208 254 E HA -0.206 4.137 4.350 -0.011 0.000 0.193 254 E C 1.841 178.347 176.600 -0.158 0.000 0.988 254 E CA 1.170 57.512 56.400 -0.096 0.000 0.828 254 E CB -0.240 29.412 29.700 -0.081 0.000 0.763 254 E HN 0.531 nan 8.360 nan 0.000 0.478 255 Q N -0.645 118.995 119.800 -0.266 0.000 2.062 255 Q HA -0.054 4.280 4.340 -0.011 0.000 0.196 255 Q C 0.879 176.516 176.000 -0.606 0.000 0.967 255 Q CA 1.442 56.920 55.803 -0.541 0.000 0.832 255 Q CB 0.059 28.221 28.738 -0.961 0.000 0.899 255 Q HN 0.390 nan 8.270 nan 0.000 0.442 256 Y N -1.962 118.334 120.300 -0.007 0.000 2.527 256 Y HA 0.340 4.883 4.550 -0.011 0.000 0.247 256 Y C 1.035 176.933 175.900 -0.004 0.000 1.138 256 Y CA 0.078 58.187 58.100 0.016 0.000 1.228 256 Y CB 1.066 39.549 38.460 0.039 0.000 1.252 256 Y HN 0.122 nan 8.280 nan 0.000 0.531 257 G N 1.534 110.370 108.800 0.059 0.000 2.221 257 G HA2 -0.301 3.652 3.960 -0.011 0.000 0.265 257 G HA3 -0.301 3.652 3.960 -0.011 0.000 0.265 257 G C -0.070 174.848 174.900 0.030 0.000 1.041 257 G CA 0.119 45.236 45.100 0.027 0.000 0.807 257 G HN 0.340 nan 8.290 nan 0.000 0.502 258 I N 0.420 121.007 120.570 0.028 0.000 2.365 258 I HA 0.250 4.414 4.170 -0.011 0.000 0.291 258 I C 0.444 176.526 176.117 -0.058 0.000 1.004 258 I CA -0.667 60.626 61.300 -0.011 0.000 1.311 258 I CB 1.240 39.214 38.000 -0.043 0.000 1.401 258 I HN 0.209 nan 8.210 nan 0.000 0.491 259 D N 5.916 126.276 120.400 -0.068 0.000 2.348 259 D HA 0.212 4.846 4.640 -0.011 0.000 0.253 259 D C -0.900 175.319 176.300 -0.135 0.000 1.161 259 D CA -0.023 53.921 54.000 -0.093 0.000 0.876 259 D CB 0.985 41.728 40.800 -0.095 0.000 1.160 259 D HN 0.095 nan 8.370 nan 0.000 0.459 260 V N 6.171 126.003 119.914 -0.136 0.000 2.313 260 V HA 0.362 4.475 4.120 -0.011 0.000 0.278 260 V C -1.809 174.183 176.094 -0.169 0.000 1.017 260 V CA -1.457 60.745 62.300 -0.163 0.000 0.823 260 V CB 0.949 32.696 31.823 -0.127 0.000 1.010 260 V HN 0.658 nan 8.190 nan 0.000 0.443 261 P HA 0.154 nan 4.420 nan 0.000 0.272 261 P C -0.402 176.877 177.300 -0.034 0.000 1.240 261 P CA -0.352 62.635 63.100 -0.188 0.000 0.791 261 P CB 0.497 31.964 31.700 -0.387 0.000 0.978 262 D N -0.096 120.307 120.400 0.006 0.000 2.443 262 D HA 0.308 4.941 4.640 -0.011 0.000 0.239 262 D C 1.070 177.365 176.300 -0.007 0.000 1.136 262 D CA 1.150 55.155 54.000 0.009 0.000 0.879 262 D CB -0.187 40.641 40.800 0.046 0.000 1.195 262 D HN 0.651 nan 8.370 nan 0.000 0.443 263 G N 2.081 110.764 108.800 -0.195 0.000 2.176 263 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.252 263 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.252 263 G C -0.159 174.208 174.900 -0.889 0.000 1.024 263 G CA -0.037 44.744 45.100 -0.531 0.000 0.755 263 G HN 0.359 nan 8.290 nan 0.000 0.507 264 F N -0.693 118.774 119.950 -0.805 0.000 2.469 264 F HA 0.832 5.353 4.527 -0.011 0.000 0.332 264 F C 0.327 175.692 175.800 -0.726 0.000 1.103 264 F CA -1.124 56.537 58.000 -0.566 0.000 0.979 264 F CB 1.409 40.229 39.000 -0.301 0.000 1.137 264 F HN -0.012 nan 8.300 nan 0.000 0.463 265 F N 0.274 120.205 119.950 -0.030 0.000 2.664 265 F HA 0.571 5.091 4.527 -0.011 0.000 0.329 265 F C -0.184 175.744 175.800 0.213 0.000 1.090 265 F CA -1.180 56.856 58.000 0.061 0.000 0.978 265 F CB 0.768 39.774 39.000 0.009 0.000 1.378 265 F HN 0.260 nan 8.300 nan 0.000 0.495 266 C N 0.996 120.558 119.300 0.436 0.000 2.595 266 C HA 0.282 4.736 4.460 -0.011 0.000 0.384 266 C C 0.332 175.546 174.990 0.374 0.000 1.289 266 C CA -0.702 58.538 59.018 0.369 0.000 2.372 266 C CB -0.030 27.884 27.740 0.290 0.000 2.593 266 C HN 0.662 nan 8.230 nan 0.000 0.639 267 E N 0.871 121.224 120.200 0.255 0.000 2.366 267 E HA 0.180 4.524 4.350 -0.011 0.000 0.266 267 E C 0.131 176.744 176.600 0.022 0.000 1.051 267 E CA -0.257 56.180 56.400 0.062 0.000 0.884 267 E CB 0.572 30.277 29.700 0.009 0.000 1.006 267 E HN 0.485 nan 8.360 nan 0.000 0.417 268 R N 2.652 123.107 120.500 -0.075 0.000 2.442 268 R HA 0.103 4.436 4.340 -0.011 0.000 0.291 268 R C -0.403 175.874 176.300 -0.038 0.000 1.069 268 R CA 0.037 56.105 56.100 -0.052 0.000 1.022 268 R CB 0.548 30.797 30.300 -0.086 0.000 0.976 268 R HN 0.431 nan 8.270 nan 0.000 0.443 269 R N 3.668 124.160 120.500 -0.014 0.000 2.637 269 R HA 0.417 4.751 4.340 -0.011 0.000 0.291 269 R C -0.421 175.906 176.300 0.045 0.000 0.963 269 R CA -0.926 55.183 56.100 0.015 0.000 0.901 269 R CB 1.992 32.306 30.300 0.024 0.000 1.160 269 R HN 0.609 nan 8.270 nan 0.000 0.457 270 R N 0.396 120.942 120.500 0.078 0.000 2.803 270 R HA 0.304 4.637 4.340 -0.011 0.000 0.276 270 R C -0.249 176.123 176.300 0.119 0.000 0.978 270 R CA -0.593 55.554 56.100 0.079 0.000 0.939 270 R CB 2.295 32.606 30.300 0.019 0.000 1.179 270 R HN 0.712 nan 8.270 nan 0.000 0.472 271 T N -0.935 113.654 114.554 0.058 0.000 2.904 271 T HA 0.647 4.991 4.350 -0.011 0.000 0.290 271 T C -0.064 174.556 174.700 -0.132 0.000 1.018 271 T CA -0.674 61.350 62.100 -0.126 0.000 1.075 271 T CB 1.545 70.332 68.868 -0.134 0.000 0.986 271 T HN 0.598 nan 8.240 nan 0.000 0.523 272 A N 3.445 126.147 122.820 -0.197 0.000 2.475 272 A HA 0.750 5.064 4.320 -0.011 0.000 0.301 272 A C -0.511 177.009 177.584 -0.106 0.000 1.059 272 A CA -1.149 50.829 52.037 -0.098 0.000 0.710 272 A CB 1.569 20.552 19.000 -0.028 0.000 1.288 272 A HN 0.858 nan 8.150 nan 0.000 0.408 273 M N 1.942 121.510 119.600 -0.053 0.000 2.326 273 M HA 0.485 4.958 4.480 -0.011 0.000 0.306 273 M C 0.117 176.518 176.300 0.170 0.000 1.054 273 M CA -0.362 54.954 55.300 0.025 0.000 0.922 273 M CB 1.718 34.238 32.600 -0.134 0.000 1.632 273 M HN 0.864 nan 8.290 nan 0.000 0.436 274 G N 1.363 110.338 108.800 0.291 0.000 2.335 274 G HA2 0.621 4.575 3.960 -0.011 0.000 0.316 274 G HA3 0.621 4.575 3.960 -0.011 0.000 0.316 274 G C -0.022 175.064 174.900 0.309 0.000 1.129 274 G CA -0.464 44.797 45.100 0.268 0.000 0.899 274 G HN 0.872 nan 8.290 nan 0.000 0.448 275 G N 2.133 111.093 108.800 0.267 0.000 2.476 275 G HA2 0.620 4.573 3.960 -0.011 0.000 0.286 275 G HA3 0.620 4.573 3.960 -0.011 0.000 0.286 275 G C -2.332 172.532 174.900 -0.060 0.000 1.177 275 G CA -1.257 43.873 45.100 0.050 0.000 0.870 275 G HN 0.488 nan 8.290 nan 0.000 0.528 276 P HA 0.017 nan 4.420 nan 0.000 0.269 276 P C 0.347 177.641 177.300 -0.009 0.000 1.252 276 P CA -0.339 62.687 63.100 -0.123 0.000 0.780 276 P CB 0.855 32.469 31.700 -0.144 0.000 0.829 277 F N 5.165 125.051 119.950 -0.107 0.000 2.161 277 F HA -0.210 4.310 4.527 -0.012 0.000 0.300 277 F C 2.224 178.009 175.800 -0.025 0.000 1.089 277 F CA 1.915 59.884 58.000 -0.051 0.000 1.282 277 F CB -0.710 38.264 39.000 -0.043 0.000 1.010 277 F HN 0.382 nan 8.300 nan 0.000 0.485 278 A N -0.236 122.520 122.820 -0.107 0.000 2.019 278 A HA -0.151 4.163 4.320 -0.011 0.000 0.219 278 A C 2.080 179.556 177.584 -0.182 0.000 1.164 278 A CA 1.690 53.618 52.037 -0.181 0.000 0.644 278 A CB -1.018 17.960 19.000 -0.038 0.000 0.805 278 A HN 0.479 nan 8.150 nan 0.000 0.449 279 L N -0.382 120.768 121.223 -0.122 0.000 2.162 279 L HA 0.043 4.376 4.340 -0.011 0.000 0.205 279 L C 1.593 178.404 176.870 -0.098 0.000 1.086 279 L CA 1.898 56.687 54.840 -0.085 0.000 0.778 279 L CB -0.584 41.432 42.059 -0.072 0.000 0.928 279 L HN 0.244 nan 8.230 nan 0.000 0.446 280 N N 0.208 118.836 118.700 -0.120 0.000 2.270 280 N HA -0.031 4.702 4.740 -0.011 0.000 0.181 280 N C 1.845 177.289 175.510 -0.109 0.000 1.016 280 N CA 1.202 54.220 53.050 -0.053 0.000 0.870 280 N CB -0.350 38.169 38.487 0.054 0.000 0.979 280 N HN 0.496 nan 8.380 nan 0.000 0.431 281 A N 1.895 124.482 122.820 -0.388 0.000 1.865 281 A HA -0.106 4.208 4.320 -0.011 0.000 0.217 281 A C -0.299 177.187 177.584 -0.163 0.000 1.191 281 A CA 1.591 53.381 52.037 -0.411 0.000 0.623 281 A CB -1.610 16.981 19.000 -0.682 0.000 0.826 281 A HN 0.252 nan 8.150 nan 0.000 0.444 282 P HA -0.105 nan 4.420 nan 0.000 0.220 282 P C 1.395 179.044 177.300 0.581 0.000 1.148 282 P CA 1.017 64.166 63.100 0.082 0.000 0.803 282 P CB -0.137 31.696 31.700 0.221 0.000 0.782 283 I N -1.219 119.583 120.570 0.386 0.000 2.333 283 I HA -0.118 4.046 4.170 -0.011 0.000 0.246 283 I C 2.646 179.042 176.117 0.466 0.000 1.106 283 I CA 1.142 62.772 61.300 0.550 0.000 1.411 283 I CB -0.557 37.628 38.000 0.308 0.000 1.082 283 I HN -0.188 nan 8.210 nan 0.000 0.420 284 M N 0.525 120.286 119.600 0.267 0.000 2.213 284 M HA -0.147 4.327 4.480 -0.011 0.000 0.263 284 M C 2.356 178.783 176.300 0.212 0.000 1.062 284 M CA 1.759 57.189 55.300 0.216 0.000 1.105 284 M CB -0.438 32.259 32.600 0.162 0.000 1.385 284 M HN 0.268 nan 8.290 nan 0.000 0.417 285 A N -0.588 122.368 122.820 0.226 0.000 2.121 285 A HA -0.024 4.290 4.320 -0.011 0.000 0.218 285 A C 2.134 179.871 177.584 0.255 0.000 1.154 285 A CA 1.203 53.376 52.037 0.226 0.000 0.679 285 A CB -0.526 18.602 19.000 0.214 0.000 0.795 285 A HN 0.326 nan 8.150 nan 0.000 0.458 286 V N -1.221 118.877 119.914 0.306 0.000 2.672 286 V HA 0.012 4.125 4.120 -0.011 0.000 0.242 286 V C 2.890 179.043 176.094 0.100 0.000 1.059 286 V CA 1.133 63.522 62.300 0.149 0.000 1.081 286 V CB -0.681 31.204 31.823 0.102 0.000 0.752 286 V HN 0.524 nan 8.190 nan 0.000 0.472 287 A N -0.021 122.920 122.820 0.202 0.000 1.917 287 A HA -0.332 3.982 4.320 -0.011 0.000 0.219 287 A C 2.132 179.716 177.584 0.001 0.000 1.182 287 A CA 2.510 54.611 52.037 0.107 0.000 0.633 287 A CB -0.533 18.579 19.000 0.186 0.000 0.819 287 A HN 0.519 nan 8.150 nan 0.000 0.448 288 Q N 0.051 119.875 119.800 0.039 0.000 2.050 288 Q HA -0.064 4.270 4.340 -0.011 0.000 0.202 288 Q C -0.707 175.259 176.000 -0.057 0.000 0.980 288 Q CA 2.236 58.041 55.803 0.004 0.000 0.840 288 Q CB -1.217 27.546 28.738 0.041 0.000 0.898 288 Q HN 0.454 nan 8.270 nan 0.000 0.424 289 P HA -0.130 nan 4.420 nan 0.000 0.216 289 P C 1.240 178.439 177.300 -0.169 0.000 1.150 289 P CA 1.146 64.192 63.100 -0.090 0.000 0.837 289 P CB -0.031 31.627 31.700 -0.070 0.000 0.786 290 V N 0.063 119.835 119.914 -0.237 0.000 2.332 290 V HA -0.266 3.847 4.120 -0.011 0.000 0.248 290 V C 2.458 178.323 176.094 -0.381 0.000 1.055 290 V CA 1.872 63.943 62.300 -0.382 0.000 1.038 290 V CB -0.981 30.477 31.823 -0.609 0.000 0.651 290 V HN 0.100 nan 8.190 nan 0.000 0.450 291 R N 0.189 120.473 120.500 -0.361 0.000 2.081 291 R HA -0.138 4.195 4.340 -0.011 0.000 0.235 291 R C 2.213 178.212 176.300 -0.501 0.000 1.131 291 R CA 1.591 57.347 56.100 -0.574 0.000 0.960 291 R CB -0.515 29.564 30.300 -0.368 0.000 0.856 291 R HN 0.522 nan 8.270 nan 0.000 0.436 292 N N 1.052 119.614 118.700 -0.231 0.000 2.149 292 N HA -0.188 4.545 4.740 -0.011 0.000 0.188 292 N C 1.567 176.992 175.510 -0.141 0.000 1.019 292 N CA 1.194 54.166 53.050 -0.130 0.000 0.857 292 N CB -0.130 38.304 38.487 -0.087 0.000 0.997 292 N HN 0.278 nan 8.380 nan 0.000 0.426 293 K N 1.300 121.598 120.400 -0.170 0.000 2.001 293 K HA -0.044 4.269 4.320 -0.011 0.000 0.208 293 K C 2.124 178.662 176.600 -0.103 0.000 1.048 293 K CA 1.096 57.309 56.287 -0.124 0.000 0.932 293 K CB -0.136 32.306 32.500 -0.097 0.000 0.715 293 K HN 0.262 nan 8.250 nan 0.000 0.437 294 I N -1.720 118.748 120.570 -0.170 0.000 2.493 294 I HA -0.172 3.992 4.170 -0.011 0.000 0.254 294 I C 1.224 177.388 176.117 0.078 0.000 1.160 294 I CA 1.056 62.342 61.300 -0.022 0.000 1.445 294 I CB -0.451 37.337 38.000 -0.353 0.000 1.086 294 I HN 0.054 nan 8.210 nan 0.000 0.433 295 Y N 2.169 122.439 120.300 -0.049 0.000 2.561 295 Y HA -0.010 4.534 4.550 -0.011 0.000 0.291 295 Y C 2.813 178.646 175.900 -0.112 0.000 1.141 295 Y CA 0.229 58.261 58.100 -0.112 0.000 1.303 295 Y CB -0.756 37.497 38.460 -0.345 0.000 1.015 295 Y HN 0.467 nan 8.280 nan 0.000 0.547 296 S N -0.581 115.143 115.700 0.040 0.000 2.612 296 S HA -0.011 4.452 4.470 -0.011 0.000 0.193 296 S C 1.962 176.534 174.600 -0.048 0.000 0.898 296 S CA 0.249 58.447 58.200 -0.003 0.000 0.872 296 S CB -0.448 62.726 63.200 -0.044 0.000 0.843 296 S HN 0.180 nan 8.310 nan 0.000 0.611 297 K N 0.229 120.528 120.400 -0.168 0.000 2.160 297 K HA -0.091 4.222 4.320 -0.011 0.000 0.206 297 K C 0.321 176.636 176.600 -0.475 0.000 1.047 297 K CA 1.355 57.411 56.287 -0.384 0.000 0.930 297 K CB -0.204 31.908 32.500 -0.647 0.000 0.720 297 K HN 0.549 nan 8.250 nan 0.000 0.450 298 Y N -0.559 119.819 120.300 0.130 0.000 2.751 298 Y HA 0.352 4.895 4.550 -0.011 0.000 0.289 298 Y C 1.175 177.156 175.900 0.136 0.000 1.110 298 Y CA -0.363 57.824 58.100 0.145 0.000 1.251 298 Y CB 0.085 38.676 38.460 0.219 0.000 1.178 298 Y HN 0.062 nan 8.280 nan 0.000 0.540 299 A N -0.299 122.646 122.820 0.208 0.000 1.958 299 A HA -0.321 3.993 4.320 -0.011 0.000 0.221 299 A C 1.947 179.599 177.584 0.112 0.000 1.178 299 A CA 2.000 54.157 52.037 0.200 0.000 0.642 299 A CB -0.970 18.134 19.000 0.174 0.000 0.816 299 A HN 0.640 nan 8.150 nan 0.000 0.453 300 Y N 1.008 121.313 120.300 0.009 0.000 2.128 300 Y HA -0.228 4.316 4.550 -0.011 0.000 0.284 300 Y C 2.617 178.485 175.900 -0.055 0.000 1.154 300 Y CA 2.496 60.582 58.100 -0.023 0.000 1.149 300 Y CB -0.525 37.908 38.460 -0.045 0.000 0.976 300 Y HN 0.311 nan 8.280 nan 0.000 0.505 301 T N -0.514 114.038 114.554 -0.003 0.000 2.976 301 T HA -0.004 4.339 4.350 -0.011 0.000 0.257 301 T C 1.225 175.783 174.700 -0.238 0.000 1.051 301 T CA 1.356 63.271 62.100 -0.308 0.000 1.141 301 T CB -0.294 67.981 68.868 -0.989 0.000 0.881 301 T HN 0.329 nan 8.240 nan 0.000 0.461 302 F N -0.576 119.439 119.950 0.108 0.000 2.720 302 F HA 0.292 4.813 4.527 -0.010 0.000 0.301 302 F C 1.092 176.747 175.800 -0.242 0.000 1.103 302 F CA -0.482 57.592 58.000 0.123 0.000 1.291 302 F CB 0.383 39.470 39.000 0.146 0.000 1.086 302 F HN 0.171 nan 8.300 nan 0.000 0.592 303 H N 1.936 120.729 119.070 -0.463 0.000 2.641 303 H HA 0.241 4.791 4.556 -0.011 0.000 0.295 303 H C -0.812 174.055 175.328 -0.767 0.000 1.070 303 H CA -0.543 55.168 56.048 -0.563 0.000 1.257 303 H CB 0.106 29.737 29.762 -0.218 0.000 1.393 303 H HN 0.069 nan 8.280 nan 0.000 0.464 304 H N 4.174 123.210 119.070 -0.055 0.000 2.589 304 H HA 0.122 4.671 4.556 -0.011 0.000 0.335 304 H C 0.440 175.697 175.328 -0.118 0.000 1.019 304 H CA -0.460 55.505 56.048 -0.138 0.000 1.213 304 H CB 1.995 31.732 29.762 -0.041 0.000 1.472 304 H HN 0.733 nan 8.280 nan 0.000 0.508 305 T N -0.186 114.312 114.554 -0.094 0.000 3.422 305 T HA 0.088 4.431 4.350 -0.011 0.000 0.192 305 T C 1.012 175.769 174.700 0.095 0.000 0.857 305 T CA 0.431 62.552 62.100 0.035 0.000 1.400 305 T CB -0.357 68.409 68.868 -0.170 0.000 1.864 305 T HN 0.529 nan 8.240 nan 0.000 0.415 306 T N -0.307 114.228 114.554 -0.032 0.000 2.824 306 T HA 0.428 4.772 4.350 -0.011 0.000 0.277 306 T C 1.182 175.826 174.700 -0.093 0.000 0.975 306 T CA -0.821 61.257 62.100 -0.037 0.000 0.966 306 T CB 1.090 69.917 68.868 -0.068 0.000 1.054 306 T HN 0.421 nan 8.240 nan 0.000 0.533 307 R N -0.200 120.248 120.500 -0.087 0.000 2.105 307 R HA -0.042 4.291 4.340 -0.011 0.000 0.239 307 R C 2.077 178.356 176.300 -0.036 0.000 1.135 307 R CA 1.041 57.085 56.100 -0.094 0.000 0.967 307 R CB -0.804 29.486 30.300 -0.016 0.000 0.861 307 R HN 0.403 nan 8.270 nan 0.000 0.442 308 L N 1.060 122.262 121.223 -0.035 0.000 2.156 308 L HA -0.088 4.246 4.340 -0.011 0.000 0.208 308 L C 2.091 178.930 176.870 -0.051 0.000 1.095 308 L CA 1.466 56.292 54.840 -0.023 0.000 0.770 308 L CB -0.808 41.228 42.059 -0.038 0.000 0.914 308 L HN 0.198 nan 8.230 nan 0.000 0.439 309 N N 0.162 118.810 118.700 -0.087 0.000 2.069 309 N HA -0.237 4.496 4.740 -0.011 0.000 0.191 309 N C 1.761 177.196 175.510 -0.125 0.000 1.031 309 N CA 1.699 54.680 53.050 -0.115 0.000 0.852 309 N CB 0.029 38.430 38.487 -0.145 0.000 1.018 309 N HN 0.245 nan 8.380 nan 0.000 0.423 310 K N 0.039 120.349 120.400 -0.150 0.000 2.025 310 K HA -0.143 4.171 4.320 -0.011 0.000 0.207 310 K C 2.072 178.675 176.600 0.005 0.000 1.049 310 K CA 1.366 57.535 56.287 -0.198 0.000 0.933 310 K CB -0.229 31.860 32.500 -0.685 0.000 0.714 310 K HN 0.344 nan 8.250 nan 0.000 0.438 311 E N 1.389 121.698 120.200 0.182 0.000 2.058 311 E HA -0.256 4.087 4.350 -0.011 0.000 0.194 311 E C 1.752 178.315 176.600 -0.062 0.000 0.997 311 E CA 1.546 58.051 56.400 0.176 0.000 0.801 311 E CB 0.121 29.902 29.700 0.136 0.000 0.746 311 E HN 0.269 nan 8.360 nan 0.000 0.450 312 E N 0.276 120.431 120.200 -0.074 0.000 2.097 312 E HA -0.230 4.113 4.350 -0.011 0.000 0.196 312 E C 2.081 178.592 176.600 -0.148 0.000 1.000 312 E CA 1.673 58.017 56.400 -0.093 0.000 0.804 312 E CB 0.014 29.674 29.700 -0.067 0.000 0.740 312 E HN 0.225 nan 8.360 nan 0.000 0.454 313 K N 0.254 120.513 120.400 -0.234 0.000 2.026 313 K HA -0.100 4.213 4.320 -0.011 0.000 0.208 313 K C 2.184 178.364 176.600 -0.700 0.000 1.048 313 K CA 1.278 57.359 56.287 -0.343 0.000 0.929 313 K CB -0.154 32.006 32.500 -0.566 0.000 0.713 313 K HN -0.009 nan 8.250 nan 0.000 0.439 314 V N 2.915 122.316 119.914 -0.855 0.000 2.515 314 V HA -0.211 3.903 4.120 -0.011 0.000 0.250 314 V C 2.133 177.839 176.094 -0.648 0.000 1.058 314 V CA 1.728 63.274 62.300 -1.257 0.000 1.064 314 V CB -0.549 30.786 31.823 -0.814 0.000 0.675 314 V HN 0.415 nan 8.190 nan 0.000 0.461 315 K N 0.356 120.545 120.400 -0.352 0.000 2.439 315 K HA -0.077 4.237 4.320 -0.011 0.000 0.197 315 K C 1.378 177.947 176.600 -0.052 0.000 1.041 315 K CA 1.213 57.399 56.287 -0.168 0.000 0.970 315 K CB -0.163 32.261 32.500 -0.126 0.000 0.773 315 K HN 0.469 nan 8.250 nan 0.000 0.479 316 E N 0.160 120.331 120.200 -0.048 0.000 2.489 316 E HA -0.001 4.342 4.350 -0.011 0.000 0.193 316 E C -0.387 176.406 176.600 0.320 0.000 1.057 316 E CA -0.139 56.335 56.400 0.123 0.000 0.866 316 E CB 0.179 29.981 29.700 0.169 0.000 0.916 316 E HN 0.269 nan 8.360 nan 0.000 0.500 317 W N 0.459 121.799 121.300 0.067 0.000 2.375 317 W HA 0.191 4.845 4.660 -0.011 0.000 0.336 317 W C 1.238 177.819 176.519 0.104 0.000 1.160 317 W CA -1.248 56.151 57.345 0.090 0.000 1.266 317 W CB 0.782 30.294 29.460 0.088 0.000 1.195 317 W HN -0.181 nan 8.180 nan 0.000 0.599 318 S N 0.718 116.624 115.700 0.343 0.000 2.486 318 S HA 0.089 4.553 4.470 -0.011 0.000 0.220 318 S C 0.086 174.838 174.600 0.254 0.000 1.011 318 S CA 0.168 58.521 58.200 0.255 0.000 0.921 318 S CB 0.132 63.458 63.200 0.210 0.000 0.785 318 S HN 0.266 nan 8.310 nan 0.000 0.517 319 L N 0.450 121.841 121.223 0.280 0.000 2.455 319 L HA 0.641 4.975 4.340 -0.011 0.000 0.264 319 L C -1.722 175.356 176.870 0.347 0.000 0.968 319 L CA -0.684 54.270 54.840 0.191 0.000 0.827 319 L CB 1.848 43.828 42.059 -0.131 0.000 1.317 319 L HN 0.094 nan 8.230 nan 0.000 0.407 320 C N 5.119 124.594 119.300 0.291 0.000 2.346 320 C HA 0.829 5.283 4.460 -0.011 0.000 0.326 320 C C -0.878 174.157 174.990 0.075 0.000 1.224 320 C CA -0.432 58.820 59.018 0.390 0.000 1.408 320 C CB 0.553 28.563 27.740 0.450 0.000 2.089 320 C HN 0.611 nan 8.230 nan 0.000 0.456 321 V N 6.231 126.180 119.914 0.059 0.000 2.357 321 V HA 0.611 4.725 4.120 -0.011 0.000 0.284 321 V C 0.647 176.744 176.094 0.004 0.000 1.018 321 V CA -0.247 61.941 62.300 -0.186 0.000 0.841 321 V CB 1.427 33.164 31.823 -0.144 0.000 0.991 321 V HN 1.037 nan 8.190 nan 0.000 0.437 322 A N 4.302 127.153 122.820 0.052 0.000 2.415 322 A HA 0.609 4.923 4.320 -0.011 0.000 0.309 322 A C 0.715 178.398 177.584 0.164 0.000 1.356 322 A CA -0.247 51.871 52.037 0.135 0.000 0.998 322 A CB -0.169 18.959 19.000 0.213 0.000 1.145 322 A HN 0.893 nan 8.150 nan 0.000 0.545 323 T N -0.225 114.389 114.554 0.100 0.000 2.847 323 T HA 0.623 4.967 4.350 -0.011 0.000 0.279 323 T C -0.628 174.181 174.700 0.181 0.000 0.984 323 T CA -0.544 61.652 62.100 0.160 0.000 0.988 323 T CB 1.367 70.318 68.868 0.138 0.000 1.040 323 T HN 0.428 nan 8.240 nan 0.000 0.528 324 D N -0.660 119.863 120.400 0.206 0.000 2.819 324 D HA 0.560 5.193 4.640 -0.011 0.000 0.232 324 D C -1.359 175.070 176.300 0.215 0.000 1.160 324 D CA -0.429 53.679 54.000 0.180 0.000 0.858 324 D CB 2.163 43.024 40.800 0.102 0.000 1.610 324 D HN 0.527 nan 8.370 nan 0.000 0.481 325 V N 1.494 121.543 119.914 0.225 0.000 2.540 325 V HA 0.528 4.642 4.120 -0.011 0.000 0.302 325 V C 0.148 176.362 176.094 0.200 0.000 1.035 325 V CA -0.953 61.484 62.300 0.229 0.000 0.873 325 V CB 1.674 33.677 31.823 0.301 0.000 0.992 325 V HN 0.573 nan 8.190 nan 0.000 0.428 326 S N 3.093 118.891 115.700 0.164 0.000 2.523 326 S HA 0.274 4.738 4.470 -0.011 0.000 0.275 326 S C 0.353 175.163 174.600 0.349 0.000 1.281 326 S CA -0.152 58.171 58.200 0.205 0.000 1.050 326 S CB 0.116 63.421 63.200 0.174 0.000 0.937 326 S HN 0.987 nan 8.310 nan 0.000 0.492 327 D N 2.904 123.487 120.400 0.304 0.000 2.810 327 D HA -0.242 4.392 4.640 -0.011 0.000 0.224 327 D C 0.901 177.426 176.300 0.375 0.000 1.222 327 D CA 1.037 55.211 54.000 0.290 0.000 0.698 327 D CB -1.186 39.749 40.800 0.224 0.000 0.961 327 D HN 0.894 nan 8.370 nan 0.000 0.403 328 H N 0.708 119.927 119.070 0.248 0.000 2.289 328 H HA -0.171 4.379 4.556 -0.011 0.000 0.296 328 H C 1.089 176.570 175.328 0.253 0.000 1.091 328 H CA 2.195 58.399 56.048 0.261 0.000 1.274 328 H CB 0.369 30.253 29.762 0.203 0.000 1.364 328 H HN 0.342 nan 8.280 nan 0.000 0.490 329 D N -0.347 120.166 120.400 0.188 0.000 2.117 329 D HA -0.117 4.516 4.640 -0.011 0.000 0.197 329 D C 2.283 178.585 176.300 0.004 0.000 0.987 329 D CA 2.241 56.274 54.000 0.056 0.000 0.829 329 D CB -0.573 40.263 40.800 0.061 0.000 0.961 329 D HN 0.630 nan 8.370 nan 0.000 0.460 330 T N -2.433 112.118 114.554 -0.004 0.000 3.055 330 T HA -0.008 4.336 4.350 -0.011 0.000 0.265 330 T C 1.831 176.478 174.700 -0.089 0.000 1.111 330 T CA 0.273 62.327 62.100 -0.078 0.000 1.118 330 T CB -0.549 68.230 68.868 -0.149 0.000 0.909 330 T HN 0.068 nan 8.240 nan 0.000 0.501 331 F N -0.291 119.664 119.950 0.007 0.000 2.743 331 F HA 0.352 4.873 4.527 -0.011 0.000 0.297 331 F C 0.882 176.657 175.800 -0.042 0.000 1.131 331 F CA -1.483 56.516 58.000 -0.002 0.000 1.426 331 F CB 0.012 39.016 39.000 0.007 0.000 1.116 331 F HN 0.170 nan 8.300 nan 0.000 0.583 332 W N 5.320 126.548 121.300 -0.121 0.000 2.385 332 W HA 0.046 4.700 4.660 -0.011 0.000 0.336 332 W C -2.302 174.072 176.519 -0.242 0.000 1.351 332 W CA -1.688 55.500 57.345 -0.262 0.000 1.295 332 W CB 0.206 29.478 29.460 -0.313 0.000 1.239 332 W HN -0.193 nan 8.180 nan 0.000 0.565 333 P HA 0.122 nan 4.420 nan 0.000 0.293 333 P C 0.548 177.280 177.300 -0.947 0.000 1.313 333 P CA 0.030 62.584 63.100 -0.910 0.000 0.787 333 P CB 1.412 32.243 31.700 -1.448 0.000 0.910 334 G N 3.942 112.546 108.800 -0.328 0.000 2.462 334 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.220 334 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.220 334 G C 1.231 176.034 174.900 -0.162 0.000 1.121 334 G CA 0.020 45.044 45.100 -0.125 0.000 0.758 334 G HN 0.703 nan 8.290 nan 0.000 0.559 335 W N 0.132 121.314 121.300 -0.196 0.000 2.425 335 W HA 0.075 4.729 4.660 -0.011 0.000 0.277 335 W C 1.695 178.044 176.519 -0.284 0.000 1.231 335 W CA 0.426 57.658 57.345 -0.188 0.000 1.248 335 W CB -0.930 28.429 29.460 -0.169 0.000 1.117 335 W HN 0.178 nan 8.180 nan 0.000 0.568 336 L N 2.263 122.972 121.223 -0.857 0.000 2.141 336 L HA -0.074 4.260 4.340 -0.011 0.000 0.209 336 L C 3.051 179.731 176.870 -0.317 0.000 1.094 336 L CA 2.031 56.392 54.840 -0.800 0.000 0.763 336 L CB -0.870 40.281 42.059 -1.512 0.000 0.908 336 L HN -0.049 nan 8.230 nan 0.000 0.437 337 R N -0.425 119.949 120.500 -0.210 0.000 2.083 337 R HA -0.190 4.143 4.340 -0.011 0.000 0.237 337 R C 1.679 178.048 176.300 0.114 0.000 1.137 337 R CA 2.094 58.308 56.100 0.190 0.000 0.951 337 R CB -0.537 29.920 30.300 0.261 0.000 0.851 337 R HN 0.423 nan 8.270 nan 0.000 0.434 338 D N 0.891 121.330 120.400 0.065 0.000 2.178 338 D HA -0.161 4.472 4.640 -0.011 0.000 0.202 338 D C 1.955 178.293 176.300 0.064 0.000 0.974 338 D CA 0.868 54.914 54.000 0.078 0.000 0.841 338 D CB -0.147 40.703 40.800 0.083 0.000 0.953 338 D HN 0.318 nan 8.370 nan 0.000 0.478 339 L N 0.523 121.783 121.223 0.061 0.000 2.027 339 L HA -0.098 4.235 4.340 -0.011 0.000 0.206 339 L C 2.300 179.183 176.870 0.021 0.000 1.074 339 L CA 0.924 55.796 54.840 0.054 0.000 0.745 339 L CB -0.128 41.981 42.059 0.083 0.000 0.898 339 L HN -0.103 nan 8.230 nan 0.000 0.433 340 I N -0.698 119.879 120.570 0.011 0.000 2.208 340 I HA -0.382 3.782 4.170 -0.011 0.000 0.245 340 I C 2.617 178.660 176.117 -0.124 0.000 1.097 340 I CA 1.348 62.619 61.300 -0.048 0.000 1.363 340 I CB -0.454 37.555 38.000 0.014 0.000 1.051 340 I HN 0.450 nan 8.210 nan 0.000 0.413 341 C N 0.411 119.694 119.300 -0.029 0.000 2.432 341 C HA -0.203 4.250 4.460 -0.011 0.000 0.277 341 C C 2.611 177.575 174.990 -0.043 0.000 1.249 341 C CA 1.379 60.376 59.018 -0.035 0.000 1.725 341 C CB -0.992 26.786 27.740 0.063 0.000 2.028 341 C HN 0.576 nan 8.230 nan 0.000 0.477 342 D N 0.516 120.911 120.400 -0.008 0.000 2.104 342 D HA -0.190 4.443 4.640 -0.011 0.000 0.194 342 D C 2.069 178.356 176.300 -0.022 0.000 0.994 342 D CA 1.713 55.712 54.000 -0.001 0.000 0.830 342 D CB -0.198 40.612 40.800 0.016 0.000 0.959 342 D HN 0.401 nan 8.370 nan 0.000 0.452 343 E N -0.262 119.914 120.200 -0.039 0.000 2.106 343 E HA -0.088 4.255 4.350 -0.011 0.000 0.192 343 E C 2.145 178.689 176.600 -0.094 0.000 0.984 343 E CA 0.770 57.142 56.400 -0.047 0.000 0.806 343 E CB -0.336 29.341 29.700 -0.038 0.000 0.750 343 E HN 0.422 nan 8.360 nan 0.000 0.458 344 L N -0.226 120.877 121.223 -0.200 0.000 2.046 344 L HA -0.157 4.176 4.340 -0.011 0.000 0.208 344 L C 2.445 179.278 176.870 -0.063 0.000 1.077 344 L CA 0.883 55.543 54.840 -0.299 0.000 0.747 344 L CB -0.376 41.337 42.059 -0.577 0.000 0.896 344 L HN 0.204 nan 8.230 nan 0.000 0.432 345 L N -0.336 120.866 121.223 -0.035 0.000 2.083 345 L HA -0.206 4.128 4.340 -0.011 0.000 0.209 345 L C 2.315 179.200 176.870 0.026 0.000 1.083 345 L CA 0.947 55.798 54.840 0.019 0.000 0.752 345 L CB -0.598 41.470 42.059 0.016 0.000 0.899 345 L HN 0.381 nan 8.230 nan 0.000 0.433 346 N N 0.061 118.768 118.700 0.012 0.000 2.223 346 N HA -0.156 4.578 4.740 -0.011 0.000 0.185 346 N C 1.728 177.258 175.510 0.033 0.000 1.016 346 N CA 1.357 54.419 53.050 0.020 0.000 0.863 346 N CB -0.217 38.279 38.487 0.015 0.000 0.983 346 N HN 0.385 nan 8.380 nan 0.000 0.429 347 M N -0.658 118.972 119.600 0.050 0.000 2.630 347 M HA 0.097 4.571 4.480 -0.011 0.000 0.254 347 M C 0.928 177.283 176.300 0.091 0.000 1.092 347 M CA 0.613 55.964 55.300 0.086 0.000 1.087 347 M CB 0.211 32.894 32.600 0.139 0.000 1.453 347 M HN 0.257 nan 8.290 nan 0.000 0.509 348 G N -0.476 108.369 108.800 0.075 0.000 2.144 348 G HA2 -0.257 3.696 3.960 -0.011 0.000 0.218 348 G HA3 -0.257 3.696 3.960 -0.011 0.000 0.218 348 G C -0.183 174.711 174.900 -0.009 0.000 0.988 348 G CA -0.674 44.440 45.100 0.023 0.000 0.659 348 G HN 0.442 nan 8.290 nan 0.000 0.522 349 Y N 1.147 121.376 120.300 -0.119 0.000 2.480 349 Y HA 0.385 4.928 4.550 -0.012 0.000 0.338 349 Y C 1.395 177.171 175.900 -0.206 0.000 1.220 349 Y CA 0.331 58.320 58.100 -0.186 0.000 1.430 349 Y CB 0.768 39.122 38.460 -0.176 0.000 1.311 349 Y HN 0.516 nan 8.280 nan 0.000 0.575 350 A N 6.129 128.780 122.820 -0.281 0.000 2.566 350 A HA 0.046 4.360 4.320 -0.011 0.000 0.245 350 A C -1.756 175.615 177.584 -0.356 0.000 1.056 350 A CA -1.022 50.748 52.037 -0.445 0.000 0.757 350 A CB -0.160 18.199 19.000 -1.068 0.000 0.979 350 A HN 0.645 nan 8.150 nan 0.000 0.508 351 P HA -0.167 nan 4.420 nan 0.000 0.215 351 P C 1.632 178.937 177.300 0.009 0.000 1.153 351 P CA 1.808 64.893 63.100 -0.025 0.000 0.853 351 P CB -0.136 31.599 31.700 0.058 0.000 0.788 352 W N -1.656 119.722 121.300 0.129 0.000 2.342 352 W HA -0.147 4.510 4.660 -0.006 0.000 0.297 352 W C 1.891 178.509 176.519 0.164 0.000 1.213 352 W CA 0.395 57.809 57.345 0.114 0.000 1.251 352 W CB -1.898 27.619 29.460 0.095 0.000 1.136 352 W HN 0.061 nan 8.180 nan 0.000 0.526 353 W N 2.144 123.094 121.300 -0.583 0.000 2.418 353 W HA -0.095 4.559 4.660 -0.011 0.000 0.292 353 W C 2.398 178.894 176.519 -0.037 0.000 1.213 353 W CA 2.550 59.688 57.345 -0.344 0.000 1.283 353 W CB -0.608 28.370 29.460 -0.803 0.000 1.119 353 W HN -0.281 nan 8.180 nan 0.000 0.542 354 V N 1.292 121.255 119.914 0.081 0.000 2.407 354 V HA -0.297 3.816 4.120 -0.011 0.000 0.248 354 V C 2.320 178.406 176.094 -0.014 0.000 1.055 354 V CA 2.244 64.563 62.300 0.032 0.000 1.049 354 V CB -0.966 30.900 31.823 0.073 0.000 0.662 354 V HN 0.048 nan 8.190 nan 0.000 0.455 355 K N 0.387 120.804 120.400 0.029 0.000 2.097 355 K HA -0.094 4.219 4.320 -0.011 0.000 0.206 355 K C 1.893 178.519 176.600 0.043 0.000 1.049 355 K CA 1.517 57.846 56.287 0.071 0.000 0.933 355 K CB -0.541 32.023 32.500 0.106 0.000 0.717 355 K HN 0.404 nan 8.250 nan 0.000 0.442 356 L N -0.557 120.649 121.223 -0.028 0.000 2.046 356 L HA -0.151 4.182 4.340 -0.011 0.000 0.208 356 L C 2.239 179.015 176.870 -0.156 0.000 1.077 356 L CA 1.407 56.204 54.840 -0.071 0.000 0.747 356 L CB -0.475 41.511 42.059 -0.121 0.000 0.896 356 L HN 0.163 nan 8.230 nan 0.000 0.432 357 F N 0.822 120.466 119.950 -0.509 0.000 2.134 357 F HA -0.238 4.282 4.527 -0.011 0.000 0.299 357 F C 2.647 178.334 175.800 -0.188 0.000 1.097 357 F CA 1.905 59.627 58.000 -0.463 0.000 1.264 357 F CB -0.127 38.437 39.000 -0.726 0.000 1.001 357 F HN 0.105 nan 8.300 nan 0.000 0.479 358 E N -0.573 119.654 120.200 0.045 0.000 2.058 358 E HA -0.216 4.128 4.350 -0.011 0.000 0.194 358 E C 1.965 178.553 176.600 -0.021 0.000 0.997 358 E CA 1.977 58.404 56.400 0.044 0.000 0.801 358 E CB -0.285 29.474 29.700 0.098 0.000 0.746 358 E HN 0.376 nan 8.360 nan 0.000 0.450 359 T N 0.468 115.030 114.554 0.013 0.000 2.788 359 T HA -0.164 4.180 4.350 -0.011 0.000 0.268 359 T C 2.029 176.703 174.700 -0.045 0.000 1.044 359 T CA 1.485 63.599 62.100 0.024 0.000 1.139 359 T CB -0.354 68.609 68.868 0.159 0.000 0.867 359 T HN 0.330 nan 8.240 nan 0.000 0.454 360 S N 1.311 116.945 115.700 -0.110 0.000 2.442 360 S HA 0.036 4.500 4.470 -0.011 0.000 0.236 360 S C 1.590 176.160 174.600 -0.049 0.000 1.007 360 S CA 0.688 58.826 58.200 -0.102 0.000 0.965 360 S CB -0.586 62.496 63.200 -0.197 0.000 0.773 360 S HN 0.484 nan 8.310 nan 0.000 0.504 361 L N 0.218 121.358 121.223 -0.138 0.000 2.741 361 L HA 0.372 4.706 4.340 -0.011 0.000 0.237 361 L C 1.089 177.952 176.870 -0.011 0.000 1.178 361 L CA 0.024 54.800 54.840 -0.107 0.000 0.973 361 L CB 0.077 42.042 42.059 -0.157 0.000 1.255 361 L HN 0.242 nan 8.230 nan 0.000 0.498 362 K N -0.454 119.948 120.400 0.004 0.000 2.553 362 K HA 0.258 4.571 4.320 -0.011 0.000 0.205 362 K C -0.228 176.370 176.600 -0.003 0.000 1.168 362 K CA -0.499 55.788 56.287 -0.001 0.000 1.043 362 K CB 1.235 33.714 32.500 -0.035 0.000 0.967 362 K HN 0.024 nan 8.250 nan 0.000 0.585 363 L N 3.155 124.408 121.223 0.050 0.000 2.456 363 L HA 0.146 4.480 4.340 -0.011 0.000 0.272 363 L C -2.343 174.580 176.870 0.089 0.000 1.189 363 L CA -1.401 53.456 54.840 0.028 0.000 0.846 363 L CB 0.218 42.262 42.059 -0.024 0.000 1.111 363 L HN -0.110 nan 8.230 nan 0.000 0.475 364 P HA 0.120 nan 4.420 nan 0.000 0.270 364 P C -1.542 175.848 177.300 0.150 0.000 1.227 364 P CA -0.117 63.032 63.100 0.081 0.000 0.788 364 P CB 0.607 32.333 31.700 0.045 0.000 0.926 365 V N -1.048 118.974 119.914 0.180 0.000 2.656 365 V HA 0.506 4.620 4.120 -0.011 0.000 0.307 365 V C -1.370 174.857 176.094 0.222 0.000 1.051 365 V CA -1.010 61.415 62.300 0.209 0.000 0.893 365 V CB 1.654 33.569 31.823 0.152 0.000 0.999 365 V HN 0.404 nan 8.190 nan 0.000 0.426 366 Y N 3.972 124.353 120.300 0.136 0.000 2.385 366 Y HA 0.709 5.254 4.550 -0.009 0.000 0.341 366 Y C -0.298 175.622 175.900 0.034 0.000 0.965 366 Y CA -0.681 57.517 58.100 0.162 0.000 1.180 366 Y CB 1.512 40.135 38.460 0.272 0.000 1.139 366 Y HN 0.666 nan 8.280 nan 0.000 0.502 367 V N 7.940 127.510 119.914 -0.573 0.000 2.432 367 V HA 0.278 4.392 4.120 -0.011 0.000 0.271 367 V C 0.882 176.495 176.094 -0.802 0.000 1.046 367 V CA 0.587 62.533 62.300 -0.591 0.000 0.945 367 V CB 0.734 32.209 31.823 -0.581 0.000 0.992 367 V HN 1.079 nan 8.190 nan 0.000 0.471 368 G N 3.826 112.292 108.800 -0.557 0.000 2.561 368 G HA2 0.380 4.334 3.960 -0.011 0.000 0.208 368 G HA3 0.380 4.334 3.960 -0.011 0.000 0.208 368 G C 0.310 174.915 174.900 -0.492 0.000 1.510 368 G CA 0.540 45.391 45.100 -0.415 0.000 0.941 368 G HN 1.054 nan 8.290 nan 0.000 0.478 369 A N 0.422 123.151 122.820 -0.152 0.000 2.815 369 A HA 0.647 4.960 4.320 -0.011 0.000 0.318 369 A C -1.632 175.963 177.584 0.018 0.000 1.186 369 A CA -0.863 51.127 52.037 -0.078 0.000 0.754 369 A CB 1.497 20.563 19.000 0.109 0.000 1.151 369 A HN 0.249 nan 8.150 nan 0.000 0.452 370 P HA 0.157 nan 4.420 nan 0.000 0.229 370 P C 0.470 177.617 177.300 -0.256 0.000 1.160 370 P CA 1.491 64.241 63.100 -0.584 0.000 0.777 370 P CB 0.420 31.698 31.700 -0.703 0.000 0.814 371 A N -1.194 121.547 122.820 -0.132 0.000 2.586 371 A HA 0.612 4.925 4.320 -0.011 0.000 0.290 371 A C -3.162 174.205 177.584 -0.362 0.000 1.086 371 A CA -1.529 50.266 52.037 -0.403 0.000 0.665 371 A CB 0.299 19.160 19.000 -0.232 0.000 1.279 371 A HN -0.271 nan 8.150 nan 0.000 0.423 372 P HA 0.382 nan 4.420 nan 0.000 0.265 372 P C -0.210 177.066 177.300 -0.040 0.000 1.193 372 P CA 1.212 64.184 63.100 -0.214 0.000 0.765 372 P CB 0.512 32.066 31.700 -0.242 0.000 0.823 373 E N -0.568 119.676 120.200 0.074 0.000 3.286 373 E HA -0.242 4.101 4.350 -0.011 0.000 0.292 373 E C -0.470 176.202 176.600 0.119 0.000 0.928 373 E CA 1.343 57.797 56.400 0.091 0.000 0.982 373 E CB -1.559 28.168 29.700 0.046 0.000 1.500 373 E HN 0.567 nan 8.360 nan 0.000 0.441 374 Q N -1.496 118.385 119.800 0.135 0.000 2.456 374 Q HA 0.698 5.031 4.340 -0.011 0.000 0.283 374 Q C 0.445 176.499 176.000 0.089 0.000 1.084 374 Q CA -0.575 55.337 55.803 0.182 0.000 0.801 374 Q CB 2.493 31.373 28.738 0.238 0.000 1.434 374 Q HN 0.229 nan 8.270 nan 0.000 0.419 375 G N 0.133 109.021 108.800 0.145 0.000 2.378 375 G HA2 -0.164 3.790 3.960 -0.011 0.000 0.198 375 G HA3 -0.164 3.790 3.960 -0.011 0.000 0.198 375 G C -0.941 173.849 174.900 -0.183 0.000 1.223 375 G CA -0.460 44.490 45.100 -0.250 0.000 1.088 375 G HN 0.866 nan 8.290 nan 0.000 0.530 376 H N -0.545 118.459 119.070 -0.110 0.000 2.677 376 H HA -0.115 4.434 4.556 -0.011 0.000 0.321 376 H C 0.014 175.337 175.328 -0.009 0.000 1.171 376 H CA 1.613 57.637 56.048 -0.040 0.000 1.139 376 H CB -2.496 27.348 29.762 0.136 0.000 1.515 376 H HN 0.988 nan 8.280 nan 0.000 0.423 377 T N 1.268 115.705 114.554 -0.194 0.000 2.971 377 T HA 0.405 4.748 4.350 -0.011 0.000 0.304 377 T C 0.060 174.812 174.700 0.087 0.000 1.038 377 T CA -0.844 61.332 62.100 0.127 0.000 1.007 377 T CB 2.363 71.423 68.868 0.320 0.000 1.055 377 T HN 0.245 nan 8.240 nan 0.000 0.451 378 L N 4.353 125.786 121.223 0.350 0.000 2.276 378 L HA 0.626 4.960 4.340 -0.011 0.000 0.286 378 L C -1.199 175.913 176.870 0.402 0.000 1.061 378 L CA -0.264 54.831 54.840 0.426 0.000 0.807 378 L CB 0.188 42.560 42.059 0.523 0.000 1.177 378 L HN 0.585 nan 8.230 nan 0.000 0.429 379 L N 6.341 127.753 121.223 0.316 0.000 2.282 379 L HA 0.821 5.154 4.340 -0.011 0.000 0.288 379 L C 0.621 177.627 176.870 0.226 0.000 1.033 379 L CA -0.333 54.664 54.840 0.262 0.000 0.807 379 L CB 0.921 43.118 42.059 0.230 0.000 1.209 379 L HN 0.961 nan 8.230 nan 0.000 0.423 380 G N 2.236 111.171 108.800 0.224 0.000 2.690 380 G HA2 -0.164 3.789 3.960 -0.011 0.000 0.686 380 G HA3 -0.164 3.789 3.960 -0.011 0.000 0.686 380 G C -1.364 173.712 174.900 0.293 0.000 1.277 380 G CA -0.861 44.353 45.100 0.190 0.000 0.799 380 G HN 0.647 nan 8.290 nan 0.000 0.613 381 D N 1.334 121.855 120.400 0.200 0.000 2.280 381 D HA 0.567 5.200 4.640 -0.011 0.000 0.236 381 D C -1.124 175.144 176.300 -0.053 0.000 1.082 381 D CA -2.246 51.828 54.000 0.123 0.000 0.834 381 D CB 1.822 42.712 40.800 0.149 0.000 1.100 381 D HN 0.010 nan 8.370 nan 0.000 0.486 382 P HA -0.020 nan 4.420 nan 0.000 0.223 382 P C 1.066 178.268 177.300 -0.163 0.000 1.151 382 P CA 0.576 63.556 63.100 -0.200 0.000 0.787 382 P CB 0.400 31.916 31.700 -0.305 0.000 0.788 383 S N -0.337 115.299 115.700 -0.106 0.000 2.419 383 S HA -0.055 4.408 4.470 -0.011 0.000 0.233 383 S C 0.775 175.355 174.600 -0.033 0.000 1.016 383 S CA 0.836 59.031 58.200 -0.009 0.000 0.974 383 S CB -0.745 62.463 63.200 0.013 0.000 0.786 383 S HN 0.391 nan 8.310 nan 0.000 0.492 384 N N 0.558 119.153 118.700 -0.175 0.000 2.685 384 N HA 0.236 4.970 4.740 -0.011 0.000 0.252 384 N C -3.659 171.627 175.510 -0.372 0.000 1.261 384 N CA -1.215 51.640 53.050 -0.325 0.000 0.768 384 N CB 0.963 39.401 38.487 -0.082 0.000 1.304 384 N HN -0.044 nan 8.380 nan 0.000 0.536 385 P HA 0.002 nan 4.420 nan 0.000 0.260 385 P C -0.275 176.891 177.300 -0.224 0.000 1.185 385 P CA 0.569 63.451 63.100 -0.363 0.000 0.763 385 P CB 0.363 31.795 31.700 -0.446 0.000 0.776 386 D N 1.706 122.041 120.400 -0.108 0.000 2.783 386 D HA 0.088 4.721 4.640 -0.011 0.000 0.306 386 D C -0.336 175.953 176.300 -0.018 0.000 1.633 386 D CA -0.163 53.804 54.000 -0.056 0.000 0.796 386 D CB -0.773 40.001 40.800 -0.043 0.000 1.230 386 D HN 0.004 nan 8.370 nan 0.000 0.441 387 L N 0.789 122.007 121.223 -0.009 0.000 2.466 387 L HA 0.398 4.732 4.340 -0.011 0.000 0.257 387 L C 0.739 177.620 176.870 0.017 0.000 1.189 387 L CA 0.468 55.316 54.840 0.012 0.000 0.813 387 L CB 0.653 42.731 42.059 0.031 0.000 1.118 387 L HN 0.018 nan 8.230 nan 0.000 0.471 388 E N 1.395 121.607 120.200 0.019 0.000 3.651 388 E HA 0.133 4.477 4.350 -0.011 0.000 0.220 388 E C 0.567 177.181 176.600 0.023 0.000 1.222 388 E CA 0.010 56.427 56.400 0.030 0.000 1.114 388 E CB 0.920 30.638 29.700 0.030 0.000 1.278 388 E HN 0.471 nan 8.360 nan 0.000 0.412 389 V N -1.347 118.574 119.914 0.012 0.000 3.461 389 V HA 0.314 4.428 4.120 -0.011 0.000 0.267 389 V C 1.016 177.102 176.094 -0.013 0.000 1.186 389 V CA 1.003 63.297 62.300 -0.011 0.000 1.154 389 V CB -0.556 31.244 31.823 -0.040 0.000 0.802 389 V HN 0.534 nan 8.190 nan 0.000 0.474 390 G N 0.238 109.063 108.800 0.041 0.000 2.709 390 G HA2 -0.172 3.782 3.960 -0.011 0.000 0.228 390 G HA3 -0.172 3.782 3.960 -0.011 0.000 0.228 390 G C -0.635 174.278 174.900 0.022 0.000 1.215 390 G CA -0.072 45.095 45.100 0.112 0.000 1.003 390 G HN 0.526 nan 8.290 nan 0.000 0.584 391 L N 1.581 122.709 121.223 -0.159 0.000 2.313 391 L HA 0.623 4.957 4.340 -0.011 0.000 0.283 391 L C 0.210 176.856 176.870 -0.374 0.000 1.013 391 L CA -0.614 53.938 54.840 -0.480 0.000 0.816 391 L CB 1.673 43.325 42.059 -0.678 0.000 1.236 391 L HN 0.621 nan 8.230 nan 0.000 0.419 392 S N 1.128 116.551 115.700 -0.462 0.000 2.545 392 S HA 0.058 4.521 4.470 -0.011 0.000 0.275 392 S C 1.181 175.532 174.600 -0.416 0.000 1.299 392 S CA -0.325 57.539 58.200 -0.560 0.000 1.048 392 S CB 1.638 64.131 63.200 -1.178 0.000 0.938 392 S HN 0.813 nan 8.310 nan 0.000 0.496 393 S N 2.525 118.051 115.700 -0.290 0.000 2.419 393 S HA -0.060 4.403 4.470 -0.011 0.000 0.233 393 S C 1.520 176.059 174.600 -0.103 0.000 1.016 393 S CA 0.797 58.904 58.200 -0.154 0.000 0.974 393 S CB -0.434 62.715 63.200 -0.084 0.000 0.786 393 S HN 0.833 nan 8.310 nan 0.000 0.492 394 G N 0.768 109.498 108.800 -0.117 0.000 3.371 394 G HA2 0.177 4.130 3.960 -0.011 0.000 0.248 394 G HA3 0.177 4.130 3.960 -0.011 0.000 0.248 394 G C 0.199 175.200 174.900 0.169 0.000 1.161 394 G CA -0.459 44.689 45.100 0.080 0.000 0.796 394 G HN 0.457 nan 8.290 nan 0.000 0.539 395 Q N 0.419 120.226 119.800 0.010 0.000 2.340 395 Q HA 0.212 4.545 4.340 -0.011 0.000 0.249 395 Q C 1.448 177.484 176.000 0.059 0.000 0.957 395 Q CA 0.098 55.944 55.803 0.071 0.000 0.882 395 Q CB 1.376 30.041 28.738 -0.120 0.000 1.235 395 Q HN 0.108 nan 8.270 nan 0.000 0.439 396 G N 1.982 110.833 108.800 0.085 0.000 2.708 396 G HA2 0.011 3.964 3.960 -0.011 0.000 0.210 396 G HA3 0.011 3.964 3.960 -0.011 0.000 0.210 396 G C 0.575 175.566 174.900 0.152 0.000 1.141 396 G CA 0.686 45.864 45.100 0.130 0.000 0.788 396 G HN 0.591 nan 8.290 nan 0.000 0.531 397 A N -0.894 122.003 122.820 0.127 0.000 2.568 397 A HA 0.460 4.774 4.320 -0.011 0.000 0.287 397 A C 1.691 179.317 177.584 0.070 0.000 0.967 397 A CA 0.719 52.859 52.037 0.172 0.000 1.004 397 A CB -0.066 19.178 19.000 0.407 0.000 1.233 397 A HN 0.052 nan 8.150 nan 0.000 0.513 398 T N 1.588 116.135 114.554 -0.011 0.000 2.665 398 T HA -0.214 4.129 4.350 -0.011 0.000 0.268 398 T C 1.788 176.463 174.700 -0.041 0.000 1.035 398 T CA 2.103 64.146 62.100 -0.094 0.000 1.151 398 T CB -0.333 68.472 68.868 -0.105 0.000 0.862 398 T HN 0.810 nan 8.240 nan 0.000 0.438 399 D N 1.881 122.289 120.400 0.013 0.000 2.097 399 D HA -0.110 4.524 4.640 -0.011 0.000 0.195 399 D C 2.149 178.473 176.300 0.040 0.000 0.989 399 D CA 0.997 55.018 54.000 0.034 0.000 0.827 399 D CB -0.939 39.897 40.800 0.060 0.000 0.966 399 D HN 0.361 nan 8.370 nan 0.000 0.456 400 L N -0.602 120.644 121.223 0.038 0.000 2.046 400 L HA -0.147 4.186 4.340 -0.011 0.000 0.208 400 L C 2.812 179.770 176.870 0.146 0.000 1.077 400 L CA 0.941 55.803 54.840 0.037 0.000 0.747 400 L CB -0.439 41.655 42.059 0.059 0.000 0.896 400 L HN -0.004 nan 8.230 nan 0.000 0.432 401 M N -0.436 119.261 119.600 0.162 0.000 2.117 401 M HA -0.087 4.386 4.480 -0.011 0.000 0.262 401 M C 2.380 178.920 176.300 0.400 0.000 1.065 401 M CA 1.848 57.301 55.300 0.256 0.000 1.114 401 M CB -1.736 30.779 32.600 -0.142 0.000 1.361 401 M HN 0.305 nan 8.290 nan 0.000 0.408 402 G N -0.706 108.234 108.800 0.233 0.000 2.421 402 G HA2 -0.140 3.814 3.960 -0.011 0.000 0.217 402 G HA3 -0.140 3.814 3.960 -0.011 0.000 0.217 402 G C 1.565 176.656 174.900 0.319 0.000 1.143 402 G CA 1.194 46.530 45.100 0.395 0.000 0.784 402 G HN 0.402 nan 8.290 nan 0.000 0.541 403 T N 0.790 115.468 114.554 0.207 0.000 2.857 403 T HA -0.001 4.343 4.350 -0.011 0.000 0.266 403 T C 2.243 177.099 174.700 0.260 0.000 1.048 403 T CA 0.798 63.013 62.100 0.192 0.000 1.139 403 T CB -0.095 68.780 68.868 0.011 0.000 0.874 403 T HN 0.173 nan 8.240 nan 0.000 0.455 404 L N 0.706 122.091 121.223 0.270 0.000 2.027 404 L HA 0.000 4.334 4.340 -0.011 0.000 0.206 404 L C 2.317 179.435 176.870 0.413 0.000 1.074 404 L CA 1.137 56.194 54.840 0.363 0.000 0.745 404 L CB -0.331 41.948 42.059 0.366 0.000 0.898 404 L HN 0.203 nan 8.230 nan 0.000 0.433 405 L N -0.274 121.183 121.223 0.389 0.000 1.970 405 L HA -0.270 4.064 4.340 -0.011 0.000 0.212 405 L C 2.417 179.451 176.870 0.273 0.000 1.071 405 L CA 2.087 57.099 54.840 0.287 0.000 0.751 405 L CB -0.505 41.663 42.059 0.182 0.000 0.889 405 L HN 0.240 nan 8.230 nan 0.000 0.432 406 M N -1.003 118.743 119.600 0.243 0.000 2.175 406 M HA -0.114 4.360 4.480 -0.011 0.000 0.264 406 M C 2.617 178.916 176.300 -0.001 0.000 1.063 406 M CA 1.751 57.033 55.300 -0.030 0.000 1.119 406 M CB -1.766 30.854 32.600 0.033 0.000 1.377 406 M HN 0.504 nan 8.290 nan 0.000 0.415 407 S N 0.701 116.627 115.700 0.377 0.000 2.368 407 S HA -0.084 4.379 4.470 -0.011 0.000 0.225 407 S C 1.860 176.723 174.600 0.438 0.000 1.030 407 S CA 0.917 59.474 58.200 0.594 0.000 0.999 407 S CB 0.011 63.708 63.200 0.829 0.000 0.844 407 S HN 0.262 nan 8.310 nan 0.000 0.459 408 I N 1.555 122.294 120.570 0.282 0.000 2.315 408 I HA -0.073 4.091 4.170 -0.011 0.000 0.248 408 I C 2.480 178.555 176.117 -0.070 0.000 1.117 408 I CA 1.303 62.590 61.300 -0.023 0.000 1.404 408 I CB -2.094 35.688 38.000 -0.364 0.000 1.071 408 I HN 0.300 nan 8.210 nan 0.000 0.419 409 T N 0.755 115.324 114.554 0.025 0.000 2.684 409 T HA -0.210 4.133 4.350 -0.011 0.000 0.267 409 T C 1.877 176.637 174.700 0.101 0.000 1.036 409 T CA 1.687 63.835 62.100 0.080 0.000 1.148 409 T CB -0.376 68.504 68.868 0.019 0.000 0.863 409 T HN 0.207 nan 8.240 nan 0.000 0.436 410 Y N 0.826 121.255 120.300 0.215 0.000 2.263 410 Y HA 0.101 4.644 4.550 -0.011 0.000 0.292 410 Y C 2.147 178.117 175.900 0.117 0.000 1.130 410 Y CA -0.110 58.101 58.100 0.186 0.000 1.179 410 Y CB -0.949 37.625 38.460 0.190 0.000 0.998 410 Y HN 0.111 nan 8.280 nan 0.000 0.532 411 L N -0.363 120.981 121.223 0.201 0.000 2.012 411 L HA -0.153 4.180 4.340 -0.011 0.000 0.210 411 L C 2.175 179.014 176.870 -0.052 0.000 1.073 411 L CA 1.500 56.302 54.840 -0.063 0.000 0.748 411 L CB -1.040 40.831 42.059 -0.314 0.000 0.891 411 L HN 0.045 nan 8.230 nan 0.000 0.431 412 V N -0.229 119.673 119.914 -0.020 0.000 2.282 412 V HA -0.401 3.712 4.120 -0.011 0.000 0.249 412 V C 2.696 178.845 176.094 0.091 0.000 1.057 412 V CA 2.476 64.782 62.300 0.011 0.000 1.032 412 V CB -0.560 31.312 31.823 0.081 0.000 0.645 412 V HN 0.529 nan 8.190 nan 0.000 0.447 413 M N -0.968 118.750 119.600 0.196 0.000 2.082 413 M HA -0.327 4.147 4.480 -0.011 0.000 0.258 413 M C 2.403 178.898 176.300 0.326 0.000 1.069 413 M CA 2.118 57.609 55.300 0.318 0.000 1.102 413 M CB -0.374 32.446 32.600 0.367 0.000 1.336 413 M HN 0.408 nan 8.290 nan 0.000 0.404 414 Q N -0.234 119.709 119.800 0.239 0.000 2.079 414 Q HA -0.147 4.186 4.340 -0.011 0.000 0.200 414 Q C 2.026 178.116 176.000 0.150 0.000 0.974 414 Q CA 1.250 57.202 55.803 0.248 0.000 0.840 414 Q CB -0.144 28.624 28.738 0.050 0.000 0.898 414 Q HN 0.544 nan 8.270 nan 0.000 0.430 415 L N 0.613 121.846 121.223 0.017 0.000 2.005 415 L HA -0.215 4.118 4.340 -0.011 0.000 0.207 415 L C 1.906 178.743 176.870 -0.055 0.000 1.072 415 L CA 1.020 55.817 54.840 -0.071 0.000 0.744 415 L CB -0.455 41.513 42.059 -0.152 0.000 0.895 415 L HN 0.184 nan 8.230 nan 0.000 0.433 416 D N -0.858 119.498 120.400 -0.073 0.000 2.104 416 D HA -0.180 4.454 4.640 -0.011 0.000 0.194 416 D C 2.024 178.163 176.300 -0.269 0.000 0.994 416 D CA 1.423 55.294 54.000 -0.215 0.000 0.830 416 D CB -0.196 40.376 40.800 -0.381 0.000 0.959 416 D HN 0.427 nan 8.370 nan 0.000 0.452 417 H N -1.403 117.720 119.070 0.088 0.000 2.575 417 H HA 0.167 4.716 4.556 -0.011 0.000 0.267 417 H C 1.402 176.794 175.328 0.107 0.000 0.966 417 H CA 1.290 57.393 56.048 0.092 0.000 1.165 417 H CB 0.840 30.666 29.762 0.106 0.000 1.433 417 H HN 0.269 nan 8.280 nan 0.000 0.544 418 T N -3.825 110.871 114.554 0.237 0.000 3.073 418 T HA 0.383 4.726 4.350 -0.011 0.000 0.264 418 T C 0.990 175.834 174.700 0.239 0.000 0.893 418 T CA 0.267 62.519 62.100 0.253 0.000 0.863 418 T CB 0.221 69.351 68.868 0.437 0.000 1.247 418 T HN 0.142 nan 8.240 nan 0.000 0.546 419 A N 1.858 124.743 122.820 0.108 0.000 3.176 419 A HA 0.683 4.997 4.320 -0.011 0.000 0.265 419 A C -1.922 175.495 177.584 -0.278 0.000 0.936 419 A CA -0.966 51.006 52.037 -0.109 0.000 1.033 419 A CB 0.394 19.265 19.000 -0.216 0.000 1.158 419 A HN 0.213 nan 8.150 nan 0.000 0.485 420 P HA -0.264 nan 4.420 nan 0.000 0.217 420 P C 1.356 178.621 177.300 -0.057 0.000 1.151 420 P CA 1.832 64.906 63.100 -0.043 0.000 0.849 420 P CB -0.225 31.496 31.700 0.035 0.000 0.787 421 H N -1.090 117.961 119.070 -0.031 0.000 2.543 421 H HA -0.009 4.540 4.556 -0.011 0.000 0.286 421 H C 1.479 176.767 175.328 -0.066 0.000 1.037 421 H CA 0.798 56.825 56.048 -0.035 0.000 1.250 421 H CB -1.202 28.556 29.762 -0.006 0.000 1.373 421 H HN 0.225 nan 8.280 nan 0.000 0.580 422 L N 0.373 121.335 121.223 -0.435 0.000 2.509 422 L HA 0.002 4.335 4.340 -0.011 0.000 0.222 422 L C 1.806 178.434 176.870 -0.404 0.000 1.123 422 L CA -0.039 54.562 54.840 -0.397 0.000 0.856 422 L CB -0.219 41.544 42.059 -0.493 0.000 0.985 422 L HN 0.098 nan 8.230 nan 0.000 0.456 423 N N 0.561 119.081 118.700 -0.300 0.000 2.149 423 N HA -0.181 4.553 4.740 -0.011 0.000 0.188 423 N C 2.038 177.418 175.510 -0.216 0.000 1.019 423 N CA 1.833 54.723 53.050 -0.266 0.000 0.857 423 N CB -0.253 38.128 38.487 -0.177 0.000 0.997 423 N HN 0.373 nan 8.380 nan 0.000 0.426 424 S N 0.202 115.812 115.700 -0.150 0.000 2.547 424 S HA 0.034 4.498 4.470 -0.011 0.000 0.235 424 S C 1.580 176.113 174.600 -0.112 0.000 0.980 424 S CA 0.401 58.539 58.200 -0.103 0.000 0.941 424 S CB -0.021 63.146 63.200 -0.056 0.000 0.763 424 S HN 0.218 nan 8.310 nan 0.000 0.532 425 R N 0.204 120.597 120.500 -0.178 0.000 2.297 425 R HA 0.345 4.679 4.340 -0.011 0.000 0.197 425 R C -0.193 175.998 176.300 -0.182 0.000 0.943 425 R CA 0.337 56.342 56.100 -0.158 0.000 1.038 425 R CB -0.011 30.185 30.300 -0.175 0.000 0.957 425 R HN 0.477 nan 8.270 nan 0.000 0.484 426 I N 1.027 121.454 120.570 -0.238 0.000 2.460 426 I HA 0.146 4.309 4.170 -0.011 0.000 0.277 426 I C 0.683 176.724 176.117 -0.126 0.000 1.057 426 I CA 0.017 61.198 61.300 -0.197 0.000 1.179 426 I CB 1.329 39.149 38.000 -0.300 0.000 1.329 426 I HN -0.184 nan 8.210 nan 0.000 0.478 427 K N 2.569 122.922 120.400 -0.079 0.000 2.435 427 K HA 0.182 4.495 4.320 -0.011 0.000 0.199 427 K C -0.438 176.138 176.600 -0.039 0.000 1.153 427 K CA 0.196 56.449 56.287 -0.057 0.000 0.974 427 K CB 0.673 33.147 32.500 -0.044 0.000 0.997 427 K HN 0.665 nan 8.250 nan 0.000 0.547 428 D N -2.153 118.228 120.400 -0.031 0.000 2.779 428 D HA 0.063 4.697 4.640 -0.011 0.000 0.331 428 D C 0.631 176.924 176.300 -0.012 0.000 1.331 428 D CA -0.724 53.265 54.000 -0.018 0.000 0.866 428 D CB 0.135 40.929 40.800 -0.011 0.000 1.409 428 D HN -0.365 nan 8.370 nan 0.000 0.486 429 M N -0.454 119.144 119.600 -0.003 0.000 2.065 429 M HA 0.018 4.491 4.480 -0.011 0.000 0.259 429 M C -1.079 175.226 176.300 0.008 0.000 1.069 429 M CA 1.686 56.988 55.300 0.004 0.000 1.110 429 M CB -2.281 30.326 32.600 0.011 0.000 1.328 429 M HN 0.377 nan 8.290 nan 0.000 0.405 430 P HA -0.104 nan 4.420 nan 0.000 0.215 430 P C 1.632 178.947 177.300 0.024 0.000 1.153 430 P CA 2.243 65.355 63.100 0.020 0.000 0.853 430 P CB -0.243 31.468 31.700 0.019 0.000 0.788 431 S N -0.900 114.810 115.700 0.017 0.000 2.406 431 S HA -0.017 4.447 4.470 -0.011 0.000 0.228 431 S C 2.095 176.720 174.600 0.042 0.000 1.020 431 S CA 0.915 59.131 58.200 0.027 0.000 0.965 431 S CB -1.370 61.833 63.200 0.005 0.000 0.798 431 S HN 0.089 nan 8.310 nan 0.000 0.488 432 A N 1.192 124.019 122.820 0.013 0.000 1.877 432 A HA -0.062 4.251 4.320 -0.011 0.000 0.216 432 A C 2.500 180.091 177.584 0.011 0.000 1.186 432 A CA 1.509 53.551 52.037 0.008 0.000 0.620 432 A CB -1.559 17.423 19.000 -0.030 0.000 0.822 432 A HN 0.671 nan 8.150 nan 0.000 0.443 433 C N -1.120 118.179 119.300 -0.002 0.000 2.413 433 C HA -0.097 4.356 4.460 -0.011 0.000 0.276 433 C C 2.895 177.883 174.990 -0.003 0.000 1.236 433 C CA 1.199 60.208 59.018 -0.015 0.000 1.735 433 C CB -1.349 26.402 27.740 0.019 0.000 2.031 433 C HN 0.603 nan 8.230 nan 0.000 0.474 434 R N -0.513 120.009 120.500 0.037 0.000 2.073 434 R HA -0.147 4.186 4.340 -0.011 0.000 0.234 434 R C 2.107 178.429 176.300 0.036 0.000 1.134 434 R CA 1.874 58.005 56.100 0.051 0.000 0.952 434 R CB -0.616 29.726 30.300 0.069 0.000 0.850 434 R HN 0.599 nan 8.270 nan 0.000 0.433 435 F N 1.265 121.180 119.950 -0.059 0.000 2.102 435 F HA -0.199 4.321 4.527 -0.011 0.000 0.298 435 F C 1.999 177.728 175.800 -0.119 0.000 1.105 435 F CA 1.265 59.218 58.000 -0.078 0.000 1.239 435 F CB -0.385 38.544 39.000 -0.118 0.000 0.991 435 F HN -0.055 nan 8.300 nan 0.000 0.474 436 L N 0.866 121.906 121.223 -0.306 0.000 2.083 436 L HA -0.197 4.137 4.340 -0.011 0.000 0.209 436 L C 2.262 178.824 176.870 -0.512 0.000 1.083 436 L CA 2.288 56.783 54.840 -0.574 0.000 0.752 436 L CB -1.255 40.424 42.059 -0.634 0.000 0.899 436 L HN 0.368 nan 8.230 nan 0.000 0.433 437 D N -1.516 118.736 120.400 -0.247 0.000 2.149 437 D HA -0.238 4.396 4.640 -0.011 0.000 0.198 437 D C 2.042 178.372 176.300 0.051 0.000 0.990 437 D CA 1.510 55.529 54.000 0.032 0.000 0.839 437 D CB 0.242 41.139 40.800 0.161 0.000 0.948 437 D HN 0.483 nan 8.370 nan 0.000 0.460 438 S N -1.180 114.461 115.700 -0.097 0.000 2.371 438 S HA -0.183 4.281 4.470 -0.011 0.000 0.224 438 S C 2.127 176.596 174.600 -0.218 0.000 1.029 438 S CA 0.695 58.833 58.200 -0.103 0.000 0.978 438 S CB -0.721 62.442 63.200 -0.062 0.000 0.833 438 S HN 0.490 nan 8.310 nan 0.000 0.466 439 Y N 0.450 120.440 120.300 -0.517 0.000 2.181 439 Y HA -0.112 4.432 4.550 -0.011 0.000 0.288 439 Y C 1.896 177.673 175.900 -0.205 0.000 1.146 439 Y CA 2.032 59.836 58.100 -0.493 0.000 1.164 439 Y CB -0.415 37.592 38.460 -0.756 0.000 0.982 439 Y HN 0.343 nan 8.280 nan 0.000 0.515 440 W N 1.095 122.219 121.300 -0.294 0.000 2.425 440 W HA -0.093 4.560 4.660 -0.011 0.000 0.277 440 W C 1.888 178.283 176.519 -0.208 0.000 1.231 440 W CA 1.112 58.260 57.345 -0.329 0.000 1.248 440 W CB -0.799 28.443 29.460 -0.364 0.000 1.117 440 W HN 0.312 nan 8.180 nan 0.000 0.568 441 Q N -0.637 119.142 119.800 -0.036 0.000 2.444 441 Q HA 0.174 4.507 4.340 -0.011 0.000 0.206 441 Q C 1.606 177.208 176.000 -0.663 0.000 0.948 441 Q CA 0.679 56.312 55.803 -0.282 0.000 0.946 441 Q CB -0.166 28.227 28.738 -0.576 0.000 1.027 441 Q HN 0.286 nan 8.270 nan 0.000 0.513 442 G N 0.642 108.979 108.800 -0.772 0.000 2.148 442 G HA2 -0.310 3.643 3.960 -0.011 0.000 0.254 442 G HA3 -0.310 3.643 3.960 -0.011 0.000 0.254 442 G C 0.152 174.728 174.900 -0.539 0.000 0.981 442 G CA 0.367 44.732 45.100 -1.225 0.000 0.670 442 G HN 0.637 nan 8.290 nan 0.000 0.528 443 H N 0.120 118.987 119.070 -0.338 0.000 2.533 443 H HA 0.223 4.772 4.556 -0.011 0.000 0.271 443 H C 0.873 176.119 175.328 -0.136 0.000 1.000 443 H CA 0.193 56.128 56.048 -0.188 0.000 1.149 443 H CB 0.452 30.149 29.762 -0.109 0.000 1.375 443 H HN 0.395 nan 8.280 nan 0.000 0.582 444 E N 0.566 120.730 120.200 -0.059 0.000 2.281 444 E HA 0.017 4.361 4.350 -0.011 0.000 0.257 444 E C 0.829 177.414 176.600 -0.024 0.000 0.971 444 E CA -0.295 56.105 56.400 -0.000 0.000 0.839 444 E CB 1.192 30.914 29.700 0.037 0.000 1.238 444 E HN 0.519 nan 8.360 nan 0.000 0.412 445 E N 0.126 120.344 120.200 0.031 0.000 2.358 445 E HA -0.014 4.329 4.350 -0.011 0.000 0.195 445 E C 0.809 177.354 176.600 -0.092 0.000 1.010 445 E CA 0.491 56.902 56.400 0.019 0.000 0.856 445 E CB -0.339 29.428 29.700 0.112 0.000 0.795 445 E HN 0.403 nan 8.360 nan 0.000 0.504 446 I N -0.826 119.675 120.570 -0.115 0.000 2.392 446 I HA 0.561 4.725 4.170 -0.011 0.000 0.295 446 I C -0.233 175.702 176.117 -0.303 0.000 0.985 446 I CA -1.177 59.912 61.300 -0.351 0.000 1.221 446 I CB 1.529 39.375 38.000 -0.257 0.000 1.366 446 I HN -0.150 nan 8.210 nan 0.000 0.467 447 R N 3.911 124.030 120.500 -0.635 0.000 2.831 447 R HA 0.680 5.014 4.340 -0.011 0.000 0.266 447 R C -1.494 174.453 176.300 -0.588 0.000 1.051 447 R CA -0.965 54.761 56.100 -0.624 0.000 0.943 447 R CB 2.280 32.312 30.300 -0.448 0.000 1.228 447 R HN 0.843 nan 8.270 nan 0.000 0.467 448 Q N 0.559 120.179 119.800 -0.299 0.000 2.527 448 Q HA 0.537 4.871 4.340 -0.011 0.000 0.280 448 Q C -1.434 174.577 176.000 0.017 0.000 0.977 448 Q CA -0.993 54.727 55.803 -0.137 0.000 0.837 448 Q CB 1.764 30.464 28.738 -0.063 0.000 1.454 448 Q HN 0.626 nan 8.270 nan 0.000 0.387 449 I N -0.284 120.238 120.570 -0.080 0.000 2.466 449 I HA 0.870 5.034 4.170 -0.011 0.000 0.289 449 I C -0.838 175.064 176.117 -0.358 0.000 1.026 449 I CA -0.604 60.547 61.300 -0.248 0.000 1.078 449 I CB 2.025 39.692 38.000 -0.556 0.000 1.249 449 I HN 0.856 nan 8.210 nan 0.000 0.429 450 S N 4.271 120.033 115.700 0.103 0.000 2.625 450 S HA 0.717 5.181 4.470 -0.011 0.000 0.271 450 S C -1.066 173.930 174.600 0.660 0.000 1.161 450 S CA -0.908 57.527 58.200 0.392 0.000 0.820 450 S CB 2.484 65.939 63.200 0.424 0.000 1.137 450 S HN 0.874 nan 8.310 nan 0.000 0.470 451 K N 0.893 121.613 120.400 0.533 0.000 2.616 451 K HA 0.539 4.852 4.320 -0.011 0.000 0.255 451 K C 0.023 176.778 176.600 0.259 0.000 0.995 451 K CA -0.043 56.479 56.287 0.391 0.000 0.860 451 K CB 1.248 33.905 32.500 0.263 0.000 1.264 451 K HN 0.884 nan 8.250 nan 0.000 0.451 452 S N 1.790 117.612 115.700 0.205 0.000 4.110 452 S HA -0.286 4.178 4.470 -0.011 0.000 0.573 452 S C 0.430 175.070 174.600 0.066 0.000 1.936 452 S CA 1.949 60.178 58.200 0.048 0.000 4.227 452 S CB -0.954 62.211 63.200 -0.058 0.000 0.327 452 S HN 1.011 nan 8.310 nan 0.000 0.532 453 D N 1.879 122.249 120.400 -0.051 0.000 2.358 453 D HA 0.355 4.989 4.640 -0.011 0.000 0.224 453 D C -0.268 176.173 176.300 0.235 0.000 1.123 453 D CA 0.068 54.128 54.000 0.101 0.000 0.833 453 D CB -0.274 40.534 40.800 0.014 0.000 0.946 453 D HN 0.327 nan 8.370 nan 0.000 0.505 454 D N 0.130 120.677 120.400 0.245 0.000 2.350 454 D HA 0.680 5.313 4.640 -0.011 0.000 0.245 454 D C -1.136 175.410 176.300 0.409 0.000 1.036 454 D CA -0.701 53.465 54.000 0.276 0.000 0.848 454 D CB 1.939 42.827 40.800 0.146 0.000 1.307 454 D HN 0.156 nan 8.370 nan 0.000 0.469 455 A N 2.735 125.706 122.820 0.252 0.000 2.586 455 A HA 0.688 5.001 4.320 -0.011 0.000 0.291 455 A C -1.568 175.870 177.584 -0.243 0.000 1.062 455 A CA -0.707 51.266 52.037 -0.106 0.000 0.666 455 A CB 1.441 20.102 19.000 -0.565 0.000 1.281 455 A HN 0.457 nan 8.150 nan 0.000 0.421 456 M N 1.935 121.295 119.600 -0.401 0.000 2.213 456 M HA 0.374 4.848 4.480 -0.011 0.000 0.286 456 M C -1.523 174.726 176.300 -0.085 0.000 1.008 456 M CA -0.114 55.092 55.300 -0.157 0.000 0.937 456 M CB 1.565 34.099 32.600 -0.111 0.000 1.600 456 M HN 0.587 nan 8.290 nan 0.000 0.450 457 L N 2.498 123.636 121.223 -0.141 0.000 2.289 457 L HA 0.798 5.132 4.340 -0.011 0.000 0.285 457 L C 0.598 177.053 176.870 -0.692 0.000 1.049 457 L CA -0.593 54.004 54.840 -0.406 0.000 0.804 457 L CB 1.464 43.354 42.059 -0.282 0.000 1.195 457 L HN 0.792 nan 8.230 nan 0.000 0.428 458 G N 2.272 110.163 108.800 -1.515 0.000 2.453 458 G HA2 0.582 4.535 3.960 -0.011 0.000 0.323 458 G HA3 0.582 4.535 3.960 -0.011 0.000 0.323 458 G C -1.796 172.313 174.900 -1.318 0.000 1.198 458 G CA -0.366 43.645 45.100 -1.815 0.000 0.959 458 G HN 0.486 nan 8.290 nan 0.000 0.482 459 W N 1.536 122.506 121.300 -0.550 0.000 2.781 459 W HA 0.370 5.023 4.660 -0.011 0.000 0.333 459 W C 0.502 176.930 176.519 -0.152 0.000 1.047 459 W CA -0.629 56.556 57.345 -0.267 0.000 1.236 459 W CB 2.347 31.712 29.460 -0.157 0.000 1.394 459 W HN 0.815 nan 8.180 nan 0.000 0.466 460 T N -0.264 114.335 114.554 0.076 0.000 2.891 460 T HA 0.374 4.717 4.350 -0.011 0.000 0.294 460 T C 0.448 175.247 174.700 0.165 0.000 1.065 460 T CA -0.669 61.512 62.100 0.135 0.000 0.936 460 T CB 0.989 69.919 68.868 0.104 0.000 1.415 460 T HN 0.008 nan 8.240 nan 0.000 0.572 461 K N 0.777 121.260 120.400 0.138 0.000 2.295 461 K HA 0.633 4.946 4.320 -0.011 0.000 0.270 461 K C 0.645 177.314 176.600 0.115 0.000 1.011 461 K CA 0.435 56.795 56.287 0.122 0.000 0.953 461 K CB 0.513 33.070 32.500 0.095 0.000 0.956 461 K HN 1.127 nan 8.250 nan 0.000 0.477 462 G N 0.832 109.696 108.800 0.107 0.000 2.362 462 G HA2 -0.059 3.895 3.960 -0.011 0.000 0.288 462 G HA3 -0.059 3.895 3.960 -0.011 0.000 0.288 462 G C 0.318 175.267 174.900 0.082 0.000 1.305 462 G CA -0.792 44.364 45.100 0.093 0.000 0.910 462 G HN 0.449 nan 8.290 nan 0.000 0.518 463 R N -0.266 120.253 120.500 0.033 0.000 2.096 463 R HA -0.013 4.320 4.340 -0.011 0.000 0.235 463 R C 2.926 179.288 176.300 0.102 0.000 1.127 463 R CA 1.919 57.986 56.100 -0.055 0.000 0.968 463 R CB -0.376 29.666 30.300 -0.430 0.000 0.861 463 R HN 0.626 nan 8.270 nan 0.000 0.440 464 A N 0.931 123.931 122.820 0.300 0.000 2.066 464 A HA -0.105 4.209 4.320 -0.011 0.000 0.218 464 A C 1.980 179.730 177.584 0.276 0.000 1.157 464 A CA 0.610 52.895 52.037 0.414 0.000 0.670 464 A CB -0.266 19.046 19.000 0.521 0.000 0.804 464 A HN 0.212 nan 8.150 nan 0.000 0.453 465 L N -0.300 121.046 121.223 0.204 0.000 2.042 465 L HA -0.127 4.207 4.340 -0.011 0.000 0.210 465 L C 2.382 179.233 176.870 -0.031 0.000 1.076 465 L CA 2.161 57.036 54.840 0.060 0.000 0.749 465 L CB -0.547 41.593 42.059 0.134 0.000 0.893 465 L HN 0.201 nan 8.230 nan 0.000 0.432 466 V N -0.388 119.553 119.914 0.045 0.000 2.515 466 V HA -0.099 4.015 4.120 -0.011 0.000 0.250 466 V C 2.343 178.433 176.094 -0.006 0.000 1.058 466 V CA 1.733 64.066 62.300 0.054 0.000 1.064 466 V CB -0.650 31.196 31.823 0.039 0.000 0.675 466 V HN 0.599 nan 8.190 nan 0.000 0.461 467 G N -0.425 108.364 108.800 -0.019 0.000 2.408 467 G HA2 -0.127 3.826 3.960 -0.011 0.000 0.217 467 G HA3 -0.127 3.826 3.960 -0.011 0.000 0.217 467 G C 1.592 176.365 174.900 -0.212 0.000 1.150 467 G CA 0.755 45.843 45.100 -0.019 0.000 0.776 467 G HN 0.663 nan 8.290 nan 0.000 0.542 468 G N 0.083 108.522 108.800 -0.602 0.000 2.469 468 G HA2 -0.242 3.711 3.960 -0.011 0.000 0.219 468 G HA3 -0.242 3.711 3.960 -0.011 0.000 0.219 468 G C 1.546 175.911 174.900 -0.891 0.000 1.150 468 G CA 1.289 45.493 45.100 -1.493 0.000 0.763 468 G HN 0.570 nan 8.290 nan 0.000 0.561 469 H N -0.359 118.465 119.070 -0.411 0.000 2.389 469 H HA 0.143 4.693 4.556 -0.011 0.000 0.299 469 H C 2.877 178.138 175.328 -0.110 0.000 1.081 469 H CA 1.070 57.002 56.048 -0.193 0.000 1.345 469 H CB 0.092 29.769 29.762 -0.142 0.000 1.393 469 H HN 0.193 nan 8.280 nan 0.000 0.520 470 R N -0.099 120.396 120.500 -0.009 0.000 2.096 470 R HA -0.111 4.223 4.340 -0.011 0.000 0.235 470 R C 1.990 178.288 176.300 -0.003 0.000 1.127 470 R CA 0.943 57.049 56.100 0.010 0.000 0.968 470 R CB -0.287 30.027 30.300 0.023 0.000 0.861 470 R HN 0.211 nan 8.270 nan 0.000 0.440 471 L N 0.393 121.585 121.223 -0.052 0.000 2.046 471 L HA -0.170 4.163 4.340 -0.011 0.000 0.208 471 L C 1.969 178.877 176.870 0.062 0.000 1.077 471 L CA 1.682 56.494 54.840 -0.048 0.000 0.747 471 L CB -0.802 41.228 42.059 -0.048 0.000 0.896 471 L HN 0.043 nan 8.230 nan 0.000 0.432 472 F N 0.774 120.630 119.950 -0.156 0.000 2.134 472 F HA -0.194 4.326 4.527 -0.011 0.000 0.299 472 F C 2.493 178.298 175.800 0.009 0.000 1.097 472 F CA 1.880 59.834 58.000 -0.077 0.000 1.264 472 F CB -0.600 38.307 39.000 -0.154 0.000 1.001 472 F HN 0.308 nan 8.300 nan 0.000 0.479 473 E N 0.199 120.448 120.200 0.081 0.000 2.072 473 E HA -0.238 4.105 4.350 -0.011 0.000 0.191 473 E C 2.415 179.009 176.600 -0.011 0.000 0.985 473 E CA 1.591 57.994 56.400 0.004 0.000 0.801 473 E CB -0.546 29.166 29.700 0.021 0.000 0.750 473 E HN 0.492 nan 8.360 nan 0.000 0.452 474 M N -0.420 119.189 119.600 0.015 0.000 2.086 474 M HA -0.168 4.306 4.480 -0.011 0.000 0.261 474 M C 1.859 178.184 176.300 0.042 0.000 1.067 474 M CA 1.466 56.769 55.300 0.005 0.000 1.116 474 M CB -0.099 32.476 32.600 -0.042 0.000 1.348 474 M HN 0.206 nan 8.290 nan 0.000 0.407 475 L N 0.314 121.600 121.223 0.104 0.000 2.046 475 L HA -0.244 4.090 4.340 -0.011 0.000 0.208 475 L C 2.630 179.616 176.870 0.194 0.000 1.077 475 L CA 1.730 56.703 54.840 0.222 0.000 0.747 475 L CB -0.741 41.540 42.059 0.370 0.000 0.896 475 L HN 0.386 nan 8.230 nan 0.000 0.432 476 K N 0.236 120.589 120.400 -0.077 0.000 2.103 476 K HA -0.272 4.041 4.320 -0.011 0.000 0.207 476 K C 2.012 178.556 176.600 -0.093 0.000 1.048 476 K CA 1.721 57.807 56.287 -0.334 0.000 0.930 476 K CB 0.055 32.146 32.500 -0.682 0.000 0.716 476 K HN 0.106 nan 8.250 nan 0.000 0.444 477 E N -0.214 119.955 120.200 -0.052 0.000 2.077 477 E HA -0.088 4.255 4.350 -0.011 0.000 0.193 477 E C 0.894 177.517 176.600 0.039 0.000 0.989 477 E CA 1.507 57.895 56.400 -0.020 0.000 0.800 477 E CB -0.228 29.465 29.700 -0.011 0.000 0.746 477 E HN 0.531 nan 8.360 nan 0.000 0.452 478 G N 0.066 108.917 108.800 0.086 0.000 2.198 478 G HA2 -0.383 3.571 3.960 -0.011 0.000 0.260 478 G HA3 -0.383 3.571 3.960 -0.011 0.000 0.260 478 G C 0.691 175.629 174.900 0.062 0.000 1.025 478 G CA 0.971 46.135 45.100 0.106 0.000 0.769 478 G HN 0.381 nan 8.290 nan 0.000 0.507 479 K N -1.411 119.016 120.400 0.044 0.000 2.335 479 K HA 0.385 4.698 4.320 -0.011 0.000 0.195 479 K C 0.627 177.247 176.600 0.034 0.000 1.058 479 K CA 0.668 56.975 56.287 0.033 0.000 0.988 479 K CB 1.111 33.625 32.500 0.023 0.000 0.880 479 K HN 0.286 nan 8.250 nan 0.000 0.513 480 V N 2.398 122.334 119.914 0.037 0.000 2.487 480 V HA 0.161 4.275 4.120 -0.011 0.000 0.298 480 V C -0.752 175.367 176.094 0.042 0.000 1.028 480 V CA -1.334 60.989 62.300 0.037 0.000 0.860 480 V CB 1.455 33.301 31.823 0.039 0.000 0.991 480 V HN 0.165 nan 8.190 nan 0.000 0.427 481 N N 7.118 125.842 118.700 0.041 0.000 2.452 481 N HA 0.181 4.915 4.740 -0.011 0.000 0.266 481 N C -1.136 174.412 175.510 0.063 0.000 1.209 481 N CA -1.582 51.495 53.050 0.046 0.000 0.929 481 N CB 1.304 39.805 38.487 0.023 0.000 1.063 481 N HN 0.400 nan 8.380 nan 0.000 0.472 482 P HA -0.000 nan 4.420 nan 0.000 0.242 482 P C -0.380 177.064 177.300 0.241 0.000 1.197 482 P CA 0.331 63.487 63.100 0.093 0.000 0.765 482 P CB 0.373 32.036 31.700 -0.061 0.000 0.936 483 S N 0.842 116.625 115.700 0.138 0.000 2.548 483 S HA 0.510 4.973 4.470 -0.011 0.000 0.286 483 S C -2.212 172.368 174.600 -0.033 0.000 1.098 483 S CA -1.766 56.493 58.200 0.099 0.000 0.930 483 S CB 1.930 65.221 63.200 0.152 0.000 1.070 483 S HN -0.184 nan 8.310 nan 0.000 0.480 484 P HA 0.114 nan 4.420 nan 0.000 0.245 484 P C 0.217 177.306 177.300 -0.351 0.000 1.206 484 P CA 0.475 63.372 63.100 -0.339 0.000 0.781 484 P CB -0.013 31.367 31.700 -0.535 0.000 0.994 485 Y N -1.012 119.359 120.300 0.118 0.000 2.441 485 Y HA 0.274 4.818 4.550 -0.011 0.000 0.288 485 Y C 1.665 177.580 175.900 0.025 0.000 1.118 485 Y CA 0.495 58.679 58.100 0.141 0.000 1.215 485 Y CB 0.007 38.606 38.460 0.232 0.000 1.118 485 Y HN -0.145 nan 8.280 nan 0.000 0.547 486 M N -0.566 119.094 119.600 0.100 0.000 2.683 486 M HA 0.296 4.770 4.480 -0.011 0.000 0.274 486 M C -1.000 175.238 176.300 -0.103 0.000 1.272 486 M CA -0.984 54.279 55.300 -0.062 0.000 0.833 486 M CB 1.833 34.449 32.600 0.027 0.000 1.708 486 M HN -0.286 nan 8.290 nan 0.000 0.463 487 K N 2.025 122.290 120.400 -0.225 0.000 2.273 487 K HA 0.476 4.790 4.320 -0.011 0.000 0.287 487 K C -0.778 175.828 176.600 0.011 0.000 1.089 487 K CA -0.283 55.925 56.287 -0.131 0.000 0.909 487 K CB 0.378 32.749 32.500 -0.215 0.000 1.123 487 K HN 0.422 nan 8.250 nan 0.000 0.473 488 I N 2.202 122.817 120.570 0.075 0.000 2.412 488 I HA 0.236 4.400 4.170 -0.011 0.000 0.296 488 I C 0.891 177.095 176.117 0.145 0.000 0.987 488 I CA -0.260 61.133 61.300 0.155 0.000 1.180 488 I CB 1.351 39.479 38.000 0.214 0.000 1.340 488 I HN 0.577 nan 8.210 nan 0.000 0.455 489 S N 5.339 121.133 115.700 0.158 0.000 2.840 489 S HA 0.693 5.156 4.470 -0.011 0.000 0.307 489 S C -0.983 173.740 174.600 0.204 0.000 1.180 489 S CA -0.755 57.535 58.200 0.151 0.000 0.846 489 S CB 1.766 64.987 63.200 0.035 0.000 1.233 489 S HN 0.428 nan 8.310 nan 0.000 0.548 490 Y N -0.034 120.377 120.300 0.183 0.000 2.387 490 Y HA 0.718 5.262 4.550 -0.011 0.000 0.330 490 Y C 0.040 176.062 175.900 0.204 0.000 1.133 490 Y CA -1.141 57.088 58.100 0.215 0.000 1.152 490 Y CB 0.504 39.146 38.460 0.305 0.000 1.215 490 Y HN 0.873 nan 8.280 nan 0.000 0.466 491 E N 1.721 122.019 120.200 0.163 0.000 2.366 491 E HA -0.034 4.309 4.350 -0.011 0.000 0.266 491 E C -1.085 175.601 176.600 0.143 0.000 1.015 491 E CA -0.292 56.168 56.400 0.100 0.000 0.906 491 E CB 0.176 29.976 29.700 0.166 0.000 0.979 491 E HN 0.814 nan 8.360 nan 0.000 0.443 492 H N 3.918 122.962 119.070 -0.043 0.000 3.205 492 H HA 0.278 4.827 4.556 -0.011 0.000 0.262 492 H C 0.007 175.412 175.328 0.128 0.000 1.333 492 H CA 1.219 57.311 56.048 0.073 0.000 1.499 492 H CB -0.147 29.613 29.762 -0.003 0.000 1.609 492 H HN 0.714 nan 8.280 nan 0.000 0.498 493 G N 3.524 112.303 108.800 -0.035 0.000 2.943 493 G HA2 -0.100 3.853 3.960 -0.011 0.000 0.250 493 G HA3 -0.100 3.853 3.960 -0.011 0.000 0.250 493 G C 0.415 175.390 174.900 0.124 0.000 0.996 493 G CA -0.467 44.641 45.100 0.012 0.000 1.248 493 G HN 0.933 nan 8.290 nan 0.000 0.589 494 G N -0.044 108.874 108.800 0.197 0.000 2.272 494 G HA2 0.696 4.649 3.960 -0.011 0.000 0.247 494 G HA3 0.696 4.649 3.960 -0.011 0.000 0.247 494 G C 0.516 175.549 174.900 0.223 0.000 1.272 494 G CA 0.916 46.155 45.100 0.231 0.000 0.921 494 G HN 1.993 nan 8.290 nan 0.000 0.495 495 A N 1.867 124.826 122.820 0.231 0.000 2.594 495 A HA 0.813 5.127 4.320 -0.011 0.000 0.291 495 A C -1.704 176.070 177.584 0.317 0.000 1.105 495 A CA -0.682 51.509 52.037 0.257 0.000 0.694 495 A CB 1.891 20.986 19.000 0.158 0.000 1.291 495 A HN 1.181 nan 8.150 nan 0.000 0.410 496 F N 1.377 121.367 119.950 0.067 0.000 2.617 496 F HA 0.549 5.069 4.527 -0.011 0.000 0.325 496 F C -0.267 175.423 175.800 -0.184 0.000 1.179 496 F CA -1.036 56.919 58.000 -0.075 0.000 0.965 496 F CB 1.347 40.264 39.000 -0.139 0.000 1.232 496 F HN 0.443 nan 8.300 nan 0.000 0.461 497 L N 6.030 126.816 121.223 -0.728 0.000 3.739 497 L HA -0.134 4.200 4.340 -0.011 0.000 0.442 497 L C 1.196 177.835 176.870 -0.385 0.000 1.241 497 L CA 1.610 56.056 54.840 -0.657 0.000 0.819 497 L CB -1.544 39.927 42.059 -0.980 0.000 1.679 497 L HN 1.279 nan 8.230 nan 0.000 0.889 498 G N -2.043 106.627 108.800 -0.216 0.000 2.284 498 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.247 498 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.247 498 G C 0.206 175.070 174.900 -0.060 0.000 1.012 498 G CA 0.240 45.266 45.100 -0.123 0.000 0.618 498 G HN 0.492 nan 8.290 nan 0.000 0.521 499 D N 0.840 121.191 120.400 -0.081 0.000 2.198 499 D HA 0.526 5.160 4.640 -0.011 0.000 0.245 499 D C 0.614 177.056 176.300 0.237 0.000 1.079 499 D CA -0.309 53.717 54.000 0.043 0.000 0.854 499 D CB 1.569 42.333 40.800 -0.060 0.000 1.148 499 D HN 0.307 nan 8.370 nan 0.000 0.456 500 I N 1.857 122.560 120.570 0.221 0.000 2.529 500 I HA -0.024 4.139 4.170 -0.011 0.000 0.284 500 I C 0.232 176.477 176.117 0.213 0.000 1.082 500 I CA -0.644 60.782 61.300 0.210 0.000 1.406 500 I CB 0.928 39.005 38.000 0.127 0.000 1.405 500 I HN 0.089 nan 8.210 nan 0.000 0.548 501 L N 8.172 129.446 121.223 0.086 0.000 2.312 501 L HA 0.263 4.596 4.340 -0.011 0.000 0.287 501 L C -0.599 176.137 176.870 -0.224 0.000 1.091 501 L CA -0.150 54.482 54.840 -0.348 0.000 0.846 501 L CB 0.569 42.348 42.059 -0.467 0.000 1.219 501 L HN 0.395 nan 8.230 nan 0.000 0.439 502 L N 6.368 127.455 121.223 -0.227 0.000 2.283 502 L HA 0.374 4.707 4.340 -0.011 0.000 0.287 502 L C -1.026 175.756 176.870 -0.147 0.000 1.073 502 L CA 0.222 55.016 54.840 -0.077 0.000 0.822 502 L CB 0.176 42.220 42.059 -0.025 0.000 1.186 502 L HN 0.448 nan 8.230 nan 0.000 0.436 503 Y N 2.950 123.272 120.300 0.037 0.000 2.352 503 Y HA 0.359 4.902 4.550 -0.011 0.000 0.326 503 Y C 0.460 176.413 175.900 0.088 0.000 1.166 503 Y CA -0.530 57.599 58.100 0.048 0.000 1.182 503 Y CB 1.071 39.579 38.460 0.080 0.000 1.216 503 Y HN 0.755 nan 8.280 nan 0.000 0.474 504 D N -1.199 119.325 120.400 0.207 0.000 2.507 504 D HA 0.102 4.736 4.640 -0.011 0.000 0.280 504 D C 1.186 177.560 176.300 0.124 0.000 1.219 504 D CA -0.087 54.002 54.000 0.148 0.000 1.085 504 D CB -0.088 40.765 40.800 0.088 0.000 1.134 504 D HN 0.372 nan 8.370 nan 0.000 0.583 505 S N -1.317 114.422 115.700 0.065 0.000 2.469 505 S HA -0.165 4.298 4.470 -0.011 0.000 0.238 505 S C 1.651 176.253 174.600 0.004 0.000 0.998 505 S CA 0.532 58.737 58.200 0.008 0.000 0.957 505 S CB -0.470 62.728 63.200 -0.002 0.000 0.764 505 S HN 0.437 nan 8.310 nan 0.000 0.514 506 R N 0.487 121.011 120.500 0.041 0.000 2.236 506 R HA 0.224 4.558 4.340 -0.011 0.000 0.208 506 R C 0.093 176.418 176.300 0.041 0.000 1.036 506 R CA 0.160 56.281 56.100 0.035 0.000 1.001 506 R CB -0.037 30.294 30.300 0.052 0.000 0.896 506 R HN 0.157 nan 8.270 nan 0.000 0.464 507 R N 1.392 121.942 120.500 0.083 0.000 3.333 507 R HA -0.172 4.161 4.340 -0.011 0.000 0.256 507 R C -1.222 175.153 176.300 0.124 0.000 1.010 507 R CA 0.966 57.085 56.100 0.032 0.000 0.680 507 R CB -2.370 27.840 30.300 -0.150 0.000 1.102 507 R HN 0.509 nan 8.270 nan 0.000 0.440 508 E N -0.872 119.528 120.200 0.333 0.000 2.293 508 E HA 0.264 4.608 4.350 -0.011 0.000 0.270 508 E C -1.972 174.817 176.600 0.316 0.000 0.879 508 E CA -2.261 54.321 56.400 0.304 0.000 0.756 508 E CB 1.871 31.669 29.700 0.164 0.000 1.208 508 E HN -0.236 nan 8.360 nan 0.000 0.428 509 P HA -0.217 nan 4.420 nan 0.000 0.216 509 P C 1.352 178.630 177.300 -0.037 0.000 1.153 509 P CA 1.615 64.754 63.100 0.065 0.000 0.858 509 P CB 0.119 31.922 31.700 0.172 0.000 0.789 510 G N -0.399 108.425 108.800 0.040 0.000 2.469 510 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.220 510 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.220 510 G C 1.319 176.204 174.900 -0.025 0.000 1.136 510 G CA 1.344 46.448 45.100 0.008 0.000 0.759 510 G HN 0.457 nan 8.290 nan 0.000 0.562 511 S N -0.663 115.032 115.700 -0.010 0.000 2.582 511 S HA 0.721 5.184 4.470 -0.011 0.000 0.234 511 S C 0.649 175.207 174.600 -0.070 0.000 0.961 511 S CA 0.176 58.365 58.200 -0.019 0.000 0.953 511 S CB 0.550 63.765 63.200 0.024 0.000 0.800 511 S HN 0.562 nan 8.310 nan 0.000 0.471 512 A N 1.971 124.682 122.820 -0.182 0.000 2.294 512 A HA 0.878 5.192 4.320 -0.011 0.000 0.330 512 A C -0.088 177.286 177.584 -0.350 0.000 1.133 512 A CA -1.100 50.722 52.037 -0.359 0.000 0.836 512 A CB 0.577 19.081 19.000 -0.825 0.000 1.190 512 A HN 0.853 nan 8.150 nan 0.000 0.492 513 I N -2.953 117.409 120.570 -0.347 0.000 2.865 513 I HA 0.633 4.797 4.170 -0.011 0.000 0.302 513 I C -1.403 174.538 176.117 -0.294 0.000 1.140 513 I CA -0.843 60.299 61.300 -0.263 0.000 1.021 513 I CB 2.095 40.027 38.000 -0.113 0.000 1.233 513 I HN 0.484 nan 8.210 nan 0.000 0.427 514 F N 4.334 124.214 119.950 -0.117 0.000 2.404 514 F HA 0.514 5.035 4.527 -0.011 0.000 0.358 514 F C 0.427 176.189 175.800 -0.063 0.000 1.120 514 F CA -0.563 57.384 58.000 -0.089 0.000 1.144 514 F CB 1.678 40.627 39.000 -0.084 0.000 1.133 514 F HN 0.381 nan 8.300 nan 0.000 0.495 515 V N 1.457 121.463 119.914 0.153 0.000 2.919 515 V HA 0.860 4.974 4.120 -0.011 0.000 0.316 515 V C 0.334 176.484 176.094 0.092 0.000 1.077 515 V CA -1.017 61.334 62.300 0.086 0.000 0.977 515 V CB 1.115 32.974 31.823 0.060 0.000 1.039 515 V HN 0.745 nan 8.190 nan 0.000 0.441 516 G N 1.084 109.914 108.800 0.050 0.000 2.554 516 G HA2 0.149 4.103 3.960 -0.011 0.000 0.238 516 G HA3 0.149 4.103 3.960 -0.011 0.000 0.238 516 G C -0.019 175.001 174.900 0.200 0.000 1.259 516 G CA -0.258 44.874 45.100 0.053 0.000 0.843 516 G HN 0.944 nan 8.290 nan 0.000 0.582 517 N N 1.226 120.071 118.700 0.241 0.000 2.415 517 N HA 0.044 4.777 4.740 -0.011 0.000 0.246 517 N C 1.254 176.954 175.510 0.316 0.000 1.078 517 N CA -0.710 52.476 53.050 0.228 0.000 0.942 517 N CB 0.964 39.546 38.487 0.157 0.000 1.140 517 N HN 0.270 nan 8.380 nan 0.000 0.501 518 I N 4.372 125.086 120.570 0.240 0.000 2.264 518 I HA -0.206 3.958 4.170 -0.011 0.000 0.248 518 I C 1.750 177.936 176.117 0.114 0.000 1.111 518 I CA 1.188 62.589 61.300 0.168 0.000 1.382 518 I CB -0.453 37.656 38.000 0.181 0.000 1.060 518 I HN 0.616 nan 8.210 nan 0.000 0.418 519 N N -0.342 118.433 118.700 0.126 0.000 2.205 519 N HA -0.166 4.567 4.740 -0.011 0.000 0.186 519 N C 1.848 177.407 175.510 0.082 0.000 1.015 519 N CA 1.625 54.728 53.050 0.090 0.000 0.862 519 N CB -0.063 38.381 38.487 -0.071 0.000 0.986 519 N HN 0.347 nan 8.380 nan 0.000 0.429 520 S N -0.226 115.533 115.700 0.098 0.000 2.406 520 S HA -0.071 4.392 4.470 -0.011 0.000 0.228 520 S C 1.816 176.444 174.600 0.048 0.000 1.020 520 S CA 0.638 58.912 58.200 0.125 0.000 0.965 520 S CB -0.200 63.140 63.200 0.233 0.000 0.798 520 S HN 0.433 nan 8.310 nan 0.000 0.488 521 M N 1.206 120.641 119.600 -0.275 0.000 2.086 521 M HA -0.087 4.386 4.480 -0.011 0.000 0.261 521 M C 1.740 177.930 176.300 -0.183 0.000 1.067 521 M CA 1.536 56.445 55.300 -0.653 0.000 1.116 521 M CB -0.274 31.601 32.600 -1.208 0.000 1.348 521 M HN 0.278 nan 8.290 nan 0.000 0.407 522 L N 0.173 121.382 121.223 -0.024 0.000 2.056 522 L HA -0.253 4.080 4.340 -0.011 0.000 0.207 522 L C 2.135 179.116 176.870 0.186 0.000 1.078 522 L CA 1.021 55.958 54.840 0.162 0.000 0.749 522 L CB -1.076 41.170 42.059 0.311 0.000 0.901 522 L HN 0.360 nan 8.230 nan 0.000 0.433 523 N N 0.483 119.273 118.700 0.150 0.000 2.069 523 N HA -0.193 4.540 4.740 -0.011 0.000 0.191 523 N C 1.539 177.131 175.510 0.138 0.000 1.031 523 N CA 1.538 54.680 53.050 0.154 0.000 0.852 523 N CB -0.598 37.953 38.487 0.106 0.000 1.018 523 N HN 0.437 nan 8.380 nan 0.000 0.423 524 N N 0.397 119.161 118.700 0.106 0.000 2.244 524 N HA -0.073 4.660 4.740 -0.011 0.000 0.183 524 N C 1.533 177.102 175.510 0.098 0.000 1.016 524 N CA 0.573 53.697 53.050 0.124 0.000 0.866 524 N CB 0.022 38.608 38.487 0.167 0.000 0.980 524 N HN 0.401 nan 8.380 nan 0.000 0.430 525 Q N -0.573 119.209 119.800 -0.030 0.000 2.212 525 Q HA 0.041 4.375 4.340 -0.011 0.000 0.199 525 Q C 0.763 176.690 176.000 -0.122 0.000 0.950 525 Q CA 0.911 56.616 55.803 -0.163 0.000 0.863 525 Q CB 0.289 28.684 28.738 -0.571 0.000 0.944 525 Q HN 0.410 nan 8.270 nan 0.000 0.465 526 F N -1.574 118.655 119.950 0.466 0.000 2.724 526 F HA 0.228 4.749 4.527 -0.011 0.000 0.306 526 F C 0.652 176.756 175.800 0.506 0.000 1.100 526 F CA -0.329 58.038 58.000 0.611 0.000 1.255 526 F CB 1.215 40.545 39.000 0.550 0.000 1.072 526 F HN -0.282 nan 8.300 nan 0.000 0.589 527 S N 1.620 117.573 115.700 0.422 0.000 2.327 527 S HA 0.230 4.694 4.470 -0.011 0.000 0.203 527 S C -2.521 172.184 174.600 0.175 0.000 1.326 527 S CA -1.032 57.355 58.200 0.312 0.000 1.248 527 S CB 0.096 63.460 63.200 0.273 0.000 1.199 527 S HN -0.128 nan 8.310 nan 0.000 0.422 528 P HA 0.090 nan 4.420 nan 0.000 0.270 528 P C 0.315 177.622 177.300 0.012 0.000 1.227 528 P CA 0.000 63.142 63.100 0.070 0.000 0.788 528 P CB 0.857 32.567 31.700 0.016 0.000 0.926 529 E N -0.170 120.000 120.200 -0.050 0.000 2.435 529 E HA -0.028 4.316 4.350 -0.011 0.000 0.195 529 E C -0.132 176.115 176.600 -0.589 0.000 1.029 529 E CA 0.897 57.102 56.400 -0.325 0.000 0.865 529 E CB -0.110 29.329 29.700 -0.435 0.000 0.833 529 E HN 0.525 nan 8.360 nan 0.000 0.510 530 Y N -0.612 119.683 120.300 -0.008 0.000 2.588 530 Y HA 0.482 5.026 4.550 -0.011 0.000 0.343 530 Y C 0.770 176.634 175.900 -0.061 0.000 1.065 530 Y CA -1.183 56.896 58.100 -0.034 0.000 1.038 530 Y CB 1.169 39.609 38.460 -0.033 0.000 1.297 530 Y HN -0.176 nan 8.280 nan 0.000 0.467 531 G N -0.034 108.831 108.800 0.109 0.000 2.621 531 G HA2 0.368 4.322 3.960 -0.011 0.000 0.271 531 G HA3 0.368 4.322 3.960 -0.011 0.000 0.271 531 G C 0.733 175.631 174.900 -0.003 0.000 1.236 531 G CA -0.163 44.941 45.100 0.006 0.000 0.958 531 G HN 0.835 nan 8.290 nan 0.000 0.512 532 V N -3.100 116.789 119.914 -0.042 0.000 3.510 532 V HA 0.107 4.221 4.120 -0.011 0.000 0.270 532 V C 0.933 176.990 176.094 -0.062 0.000 1.201 532 V CA 1.136 63.406 62.300 -0.050 0.000 1.166 532 V CB -1.476 30.329 31.823 -0.031 0.000 0.825 532 V HN 0.778 nan 8.190 nan 0.000 0.484 533 Q N 1.284 121.055 119.800 -0.049 0.000 2.439 533 Q HA -0.229 4.104 4.340 -0.011 0.000 0.325 533 Q C 1.342 177.307 176.000 -0.058 0.000 1.372 533 Q CA 0.621 56.391 55.803 -0.056 0.000 0.909 533 Q CB -1.824 26.866 28.738 -0.080 0.000 1.167 533 Q HN 1.013 nan 8.270 nan 0.000 0.418 534 S N -2.430 113.245 115.700 -0.043 0.000 2.595 534 S HA -0.017 4.446 4.470 -0.011 0.000 0.235 534 S C 1.580 176.161 174.600 -0.031 0.000 0.974 534 S CA 0.483 58.660 58.200 -0.037 0.000 0.942 534 S CB 0.294 63.481 63.200 -0.021 0.000 0.766 534 S HN 0.626 nan 8.310 nan 0.000 0.536 535 G N 0.734 109.515 108.800 -0.032 0.000 2.813 535 G HA2 0.252 4.205 3.960 -0.011 0.000 0.209 535 G HA3 0.252 4.205 3.960 -0.011 0.000 0.209 535 G C 0.203 175.086 174.900 -0.030 0.000 1.150 535 G CA -0.106 44.979 45.100 -0.026 0.000 0.785 535 G HN 0.452 nan 8.290 nan 0.000 0.535 536 V N 2.304 122.192 119.914 -0.043 0.000 2.348 536 V HA 0.227 4.340 4.120 -0.011 0.000 0.270 536 V C 1.178 177.250 176.094 -0.038 0.000 1.037 536 V CA -0.898 61.374 62.300 -0.046 0.000 0.872 536 V CB 1.222 33.003 31.823 -0.069 0.000 1.002 536 V HN 0.155 nan 8.190 nan 0.000 0.464 537 R N 2.031 122.523 120.500 -0.015 0.000 2.083 537 R HA -0.069 4.264 4.340 -0.011 0.000 0.237 537 R C 0.908 177.236 176.300 0.046 0.000 1.137 537 R CA 0.835 56.942 56.100 0.011 0.000 0.951 537 R CB -0.377 29.931 30.300 0.013 0.000 0.851 537 R HN 0.719 nan 8.270 nan 0.000 0.434 538 D N 1.411 121.834 120.400 0.038 0.000 2.374 538 D HA 0.037 4.670 4.640 -0.011 0.000 0.240 538 D C 0.735 177.024 176.300 -0.018 0.000 1.229 538 D CA 0.002 54.060 54.000 0.096 0.000 0.895 538 D CB 0.506 41.347 40.800 0.069 0.000 1.046 538 D HN 0.035 nan 8.370 nan 0.000 0.498 539 R N 1.590 122.031 120.500 -0.097 0.000 2.127 539 R HA -0.135 4.199 4.340 -0.011 0.000 0.238 539 R C 2.095 178.098 176.300 -0.496 0.000 1.134 539 R CA 1.350 57.177 56.100 -0.455 0.000 0.975 539 R CB -0.259 29.527 30.300 -0.857 0.000 0.865 539 R HN 0.442 nan 8.270 nan 0.000 0.447 540 S N 1.071 116.549 115.700 -0.371 0.000 2.442 540 S HA -0.101 4.363 4.470 -0.011 0.000 0.236 540 S C 1.597 176.107 174.600 -0.151 0.000 1.007 540 S CA 0.936 59.006 58.200 -0.217 0.000 0.965 540 S CB 0.010 63.197 63.200 -0.021 0.000 0.773 540 S HN 0.291 nan 8.310 nan 0.000 0.504 541 K N 0.501 120.821 120.400 -0.133 0.000 2.426 541 K HA 0.197 4.510 4.320 -0.011 0.000 0.193 541 K C 0.675 177.181 176.600 -0.156 0.000 1.028 541 K CA -0.070 56.147 56.287 -0.116 0.000 1.047 541 K CB 0.203 32.656 32.500 -0.078 0.000 0.821 541 K HN 0.393 nan 8.250 nan 0.000 0.513 542 R N 0.921 121.299 120.500 -0.204 0.000 2.637 542 R HA 0.116 4.449 4.340 -0.011 0.000 0.269 542 R C 1.087 177.238 176.300 -0.250 0.000 1.089 542 R CA -0.339 55.627 56.100 -0.222 0.000 1.177 542 R CB 0.404 30.556 30.300 -0.247 0.000 1.091 542 R HN -0.154 nan 8.270 nan 0.000 0.540 543 K N 1.482 121.696 120.400 -0.311 0.000 2.155 543 K HA -0.051 4.262 4.320 -0.011 0.000 0.203 543 K C 0.451 176.914 176.600 -0.229 0.000 1.052 543 K CA 1.274 57.313 56.287 -0.413 0.000 0.948 543 K CB 0.146 32.096 32.500 -0.916 0.000 0.728 543 K HN 0.399 nan 8.250 nan 0.000 0.448 544 R N 0.558 120.954 120.500 -0.174 0.000 2.494 544 R HA 0.171 4.505 4.340 -0.011 0.000 0.284 544 R C -2.156 174.026 176.300 -0.197 0.000 1.525 544 R CA -1.392 54.649 56.100 -0.098 0.000 1.460 544 R CB 1.175 31.459 30.300 -0.027 0.000 1.134 544 R HN -0.112 nan 8.270 nan 0.000 0.592 545 P HA -0.136 nan 4.420 nan 0.000 0.215 545 P C -0.289 176.391 177.300 -1.034 0.000 1.157 545 P CA 1.317 64.009 63.100 -0.680 0.000 0.868 545 P CB 0.277 31.618 31.700 -0.598 0.000 0.788 546 F N -3.512 116.394 119.950 -0.074 0.000 2.794 546 F HA 0.327 4.847 4.527 -0.011 0.000 0.353 546 F C -1.934 173.869 175.800 0.005 0.000 1.371 546 F CA -1.929 56.043 58.000 -0.047 0.000 1.173 546 F CB 1.126 40.088 39.000 -0.064 0.000 1.693 546 F HN -0.100 nan 8.300 nan 0.000 0.606 547 P HA -0.175 nan 4.420 nan 0.000 0.217 547 P C 1.912 179.312 177.300 0.167 0.000 1.148 547 P CA 1.600 64.803 63.100 0.171 0.000 0.828 547 P CB 0.243 32.067 31.700 0.207 0.000 0.783 548 G N -0.394 108.470 108.800 0.106 0.000 2.470 548 G HA2 -0.196 3.757 3.960 -0.011 0.000 0.220 548 G HA3 -0.196 3.757 3.960 -0.011 0.000 0.220 548 G C 1.402 176.352 174.900 0.082 0.000 1.121 548 G CA 0.297 45.408 45.100 0.019 0.000 0.766 548 G HN 0.254 nan 8.290 nan 0.000 0.553 549 L N 0.485 121.780 121.223 0.120 0.000 2.201 549 L HA -0.028 4.306 4.340 -0.011 0.000 0.212 549 L C 3.255 180.203 176.870 0.131 0.000 1.105 549 L CA 0.769 55.670 54.840 0.101 0.000 0.775 549 L CB -0.424 41.678 42.059 0.070 0.000 0.913 549 L HN 0.295 nan 8.230 nan 0.000 0.440 550 A N -0.448 122.474 122.820 0.171 0.000 2.070 550 A HA -0.249 4.065 4.320 -0.011 0.000 0.220 550 A C 2.145 179.861 177.584 0.221 0.000 1.159 550 A CA 0.917 53.070 52.037 0.193 0.000 0.656 550 A CB -0.842 18.296 19.000 0.230 0.000 0.800 550 A HN 0.694 nan 8.150 nan 0.000 0.453 551 W N 0.486 121.790 121.300 0.006 0.000 2.402 551 W HA -0.140 4.514 4.660 -0.011 0.000 0.286 551 W C 2.128 178.657 176.519 0.016 0.000 1.221 551 W CA 1.321 58.657 57.345 -0.015 0.000 1.257 551 W CB -0.055 29.338 29.460 -0.111 0.000 1.120 551 W HN 0.439 nan 8.180 nan 0.000 0.551 552 A N 0.157 123.037 122.820 0.099 0.000 2.067 552 A HA -0.169 4.144 4.320 -0.011 0.000 0.219 552 A C 1.868 179.426 177.584 -0.044 0.000 1.158 552 A CA 1.986 54.025 52.037 0.004 0.000 0.661 552 A CB -0.809 18.209 19.000 0.030 0.000 0.801 552 A HN 0.306 nan 8.150 nan 0.000 0.452 553 S N -1.798 113.892 115.700 -0.016 0.000 2.523 553 S HA 0.139 4.602 4.470 -0.011 0.000 0.217 553 S C 1.682 176.276 174.600 -0.009 0.000 0.996 553 S CA 0.532 58.720 58.200 -0.021 0.000 0.921 553 S CB -0.396 62.807 63.200 0.005 0.000 0.829 553 S HN 0.501 nan 8.310 nan 0.000 0.495 554 M N 1.828 121.425 119.600 -0.004 0.000 2.089 554 M HA -0.216 4.257 4.480 -0.011 0.000 0.257 554 M C 2.135 178.499 176.300 0.108 0.000 1.071 554 M CA 2.134 57.502 55.300 0.113 0.000 1.096 554 M CB -0.234 32.312 32.600 -0.090 0.000 1.330 554 M HN 0.308 nan 8.290 nan 0.000 0.403 555 K N 0.604 120.980 120.400 -0.039 0.000 2.026 555 K HA -0.205 4.108 4.320 -0.011 0.000 0.208 555 K C 1.780 178.252 176.600 -0.214 0.000 1.048 555 K CA 2.178 58.367 56.287 -0.163 0.000 0.929 555 K CB -0.580 31.851 32.500 -0.116 0.000 0.713 555 K HN 0.481 nan 8.250 nan 0.000 0.439 556 D N -1.012 119.305 120.400 -0.140 0.000 2.123 556 D HA -0.133 4.500 4.640 -0.011 0.000 0.196 556 D C 1.292 177.489 176.300 -0.171 0.000 0.992 556 D CA 1.638 55.554 54.000 -0.140 0.000 0.833 556 D CB 0.205 40.940 40.800 -0.108 0.000 0.954 556 D HN 0.313 nan 8.370 nan 0.000 0.455 557 T N -1.124 113.309 114.554 -0.201 0.000 2.896 557 T HA -0.085 4.259 4.350 -0.011 0.000 0.263 557 T C 1.107 175.474 174.700 -0.556 0.000 1.050 557 T CA 0.831 62.685 62.100 -0.410 0.000 1.140 557 T CB -0.076 68.433 68.868 -0.599 0.000 0.877 557 T HN 0.251 nan 8.240 nan 0.000 0.457 558 Y N -0.082 120.170 120.300 -0.079 0.000 2.500 558 Y HA 0.431 4.975 4.550 -0.011 0.000 0.246 558 Y C 2.291 177.963 175.900 -0.381 0.000 1.146 558 Y CA -0.783 57.272 58.100 -0.075 0.000 1.230 558 Y CB -0.100 38.449 38.460 0.149 0.000 1.214 558 Y HN 0.183 nan 8.280 nan 0.000 0.526 559 G N 0.660 109.128 108.800 -0.554 0.000 2.485 559 G HA2 -0.257 3.697 3.960 -0.011 0.000 0.221 559 G HA3 -0.257 3.697 3.960 -0.011 0.000 0.221 559 G C 1.687 176.336 174.900 -0.418 0.000 1.115 559 G CA 1.106 45.665 45.100 -0.902 0.000 0.751 559 G HN 0.437 nan 8.290 nan 0.000 0.567 560 A N -0.836 121.866 122.820 -0.198 0.000 2.218 560 A HA 0.232 4.546 4.320 -0.011 0.000 0.209 560 A C 1.409 178.990 177.584 -0.006 0.000 1.168 560 A CA 0.341 52.331 52.037 -0.078 0.000 0.804 560 A CB -0.583 18.387 19.000 -0.050 0.000 0.834 560 A HN 0.454 nan 8.150 nan 0.000 0.482 561 C N 1.032 120.353 119.300 0.035 0.000 2.648 561 C HA 0.307 4.761 4.460 -0.011 0.000 0.415 561 C C -0.622 174.429 174.990 0.101 0.000 1.366 561 C CA -1.257 57.824 59.018 0.105 0.000 1.756 561 C CB 0.240 28.095 27.740 0.191 0.000 2.549 561 C HN 0.420 nan 8.230 nan 0.000 0.597 562 P HA -0.175 nan 4.420 nan 0.000 0.216 562 P C 0.864 178.198 177.300 0.057 0.000 1.154 562 P CA 1.926 65.066 63.100 0.065 0.000 0.865 562 P CB -0.131 31.604 31.700 0.058 0.000 0.789 563 I N -6.033 114.534 120.570 -0.005 0.000 3.855 563 I HA 0.156 4.319 4.170 -0.011 0.000 0.327 563 I C 1.866 177.953 176.117 -0.050 0.000 1.359 563 I CA -0.338 60.880 61.300 -0.138 0.000 1.142 563 I CB -0.837 36.822 38.000 -0.569 0.000 1.041 563 I HN -0.157 nan 8.210 nan 0.000 0.403 564 Y N 1.901 122.173 120.300 -0.047 0.000 2.040 564 Y HA -0.354 4.189 4.550 -0.011 0.000 0.275 564 Y C 2.687 178.587 175.900 -0.000 0.000 1.171 564 Y CA 2.395 60.491 58.100 -0.008 0.000 1.123 564 Y CB -0.133 38.344 38.460 0.028 0.000 0.963 564 Y HN 0.299 nan 8.280 nan 0.000 0.493 565 S N 0.158 115.905 115.700 0.077 0.000 2.359 565 S HA -0.226 4.238 4.470 -0.011 0.000 0.224 565 S C 1.363 175.941 174.600 -0.036 0.000 1.035 565 S CA 1.736 59.930 58.200 -0.009 0.000 1.018 565 S CB -0.525 62.733 63.200 0.096 0.000 0.876 565 S HN 0.632 nan 8.310 nan 0.000 0.448 566 D N 0.618 121.018 120.400 0.000 0.000 2.117 566 D HA -0.080 4.553 4.640 -0.011 0.000 0.197 566 D C 1.902 178.204 176.300 0.003 0.000 0.987 566 D CA 0.903 54.937 54.000 0.057 0.000 0.829 566 D CB -0.328 40.545 40.800 0.121 0.000 0.961 566 D HN 0.184 nan 8.370 nan 0.000 0.460 567 V N 0.591 120.431 119.914 -0.124 0.000 2.295 567 V HA -0.195 3.919 4.120 -0.011 0.000 0.246 567 V C 2.414 178.476 176.094 -0.053 0.000 1.049 567 V CA 1.192 63.427 62.300 -0.107 0.000 1.024 567 V CB -0.475 31.261 31.823 -0.144 0.000 0.648 567 V HN 0.256 nan 8.190 nan 0.000 0.447 568 L N -0.403 120.737 121.223 -0.138 0.000 2.079 568 L HA -0.226 4.107 4.340 -0.011 0.000 0.210 568 L C 2.575 179.481 176.870 0.060 0.000 1.081 568 L CA 1.715 56.524 54.840 -0.051 0.000 0.752 568 L CB -0.452 41.486 42.059 -0.203 0.000 0.896 568 L HN 0.436 nan 8.230 nan 0.000 0.433 569 E N -0.383 119.836 120.200 0.032 0.000 2.076 569 E HA -0.147 4.197 4.350 -0.011 0.000 0.190 569 E C 2.304 178.931 176.600 0.045 0.000 0.979 569 E CA 0.907 57.346 56.400 0.064 0.000 0.807 569 E CB -0.111 29.623 29.700 0.057 0.000 0.761 569 E HN 0.477 nan 8.360 nan 0.000 0.454 570 A N 1.242 124.065 122.820 0.004 0.000 1.940 570 A HA -0.189 4.124 4.320 -0.011 0.000 0.219 570 A C 2.134 179.704 177.584 -0.024 0.000 1.176 570 A CA 1.060 53.023 52.037 -0.122 0.000 0.631 570 A CB -0.573 18.367 19.000 -0.100 0.000 0.814 570 A HN 0.143 nan 8.150 nan 0.000 0.446 571 I N -0.980 119.640 120.570 0.083 0.000 2.142 571 I HA -0.254 3.910 4.170 -0.011 0.000 0.240 571 I C 2.579 178.891 176.117 0.325 0.000 1.078 571 I CA 1.840 63.269 61.300 0.214 0.000 1.343 571 I CB -0.319 37.811 38.000 0.217 0.000 1.046 571 I HN 0.392 nan 8.210 nan 0.000 0.405 572 E N 1.165 121.537 120.200 0.287 0.000 2.086 572 E HA -0.301 4.043 4.350 -0.011 0.000 0.200 572 E C 2.245 179.116 176.600 0.451 0.000 1.012 572 E CA 1.742 58.363 56.400 0.368 0.000 0.812 572 E CB -0.195 29.692 29.700 0.310 0.000 0.743 572 E HN 0.202 nan 8.360 nan 0.000 0.453 573 R N -0.698 119.976 120.500 0.289 0.000 2.073 573 R HA -0.117 4.216 4.340 -0.011 0.000 0.234 573 R C 2.319 178.793 176.300 0.291 0.000 1.134 573 R CA 1.788 58.033 56.100 0.242 0.000 0.952 573 R CB -0.622 29.694 30.300 0.027 0.000 0.850 573 R HN 0.350 nan 8.270 nan 0.000 0.433 574 C N -0.431 119.016 119.300 0.245 0.000 2.435 574 C HA -0.062 4.392 4.460 -0.011 0.000 0.279 574 C C 2.322 177.643 174.990 0.553 0.000 1.321 574 C CA -0.134 59.055 59.018 0.284 0.000 1.752 574 C CB -1.305 26.474 27.740 0.066 0.000 1.959 574 C HN 0.683 nan 8.230 nan 0.000 0.500 575 W N -0.293 121.260 121.300 0.421 0.000 2.402 575 W HA -0.105 4.549 4.660 -0.011 0.000 0.286 575 W C 2.146 178.745 176.519 0.133 0.000 1.221 575 W CA 0.926 58.380 57.345 0.182 0.000 1.257 575 W CB -0.590 28.824 29.460 -0.075 0.000 1.120 575 W HN 0.468 nan 8.180 nan 0.000 0.551 576 W N 1.328 122.848 121.300 0.367 0.000 2.355 576 W HA -0.233 4.421 4.660 -0.011 0.000 0.309 576 W C 2.274 178.863 176.519 0.117 0.000 1.206 576 W CA 1.778 59.257 57.345 0.224 0.000 1.284 576 W CB -0.805 28.753 29.460 0.163 0.000 1.145 576 W HN -0.227 nan 8.180 nan 0.000 0.502 577 N N -0.217 118.698 118.700 0.359 0.000 2.223 577 N HA -0.142 4.591 4.740 -0.011 0.000 0.185 577 N C 1.516 177.046 175.510 0.033 0.000 1.016 577 N CA 1.847 55.010 53.050 0.187 0.000 0.863 577 N CB -0.892 37.673 38.487 0.129 0.000 0.983 577 N HN 0.185 nan 8.380 nan 0.000 0.429 578 A N -1.164 121.633 122.820 -0.039 0.000 1.997 578 A HA 0.220 4.533 4.320 -0.011 0.000 0.212 578 A C 1.284 178.486 177.584 -0.637 0.000 1.178 578 A CA 0.427 52.267 52.037 -0.329 0.000 0.698 578 A CB -0.081 18.717 19.000 -0.337 0.000 0.842 578 A HN 0.192 nan 8.150 nan 0.000 0.458 579 F N -1.337 118.337 119.950 -0.461 0.000 2.728 579 F HA 0.367 4.887 4.527 -0.011 0.000 0.314 579 F C 1.700 177.266 175.800 -0.391 0.000 1.094 579 F CA 0.431 58.127 58.000 -0.507 0.000 1.217 579 F CB 0.653 39.152 39.000 -0.835 0.000 1.056 579 F HN 0.310 nan 8.300 nan 0.000 0.577 580 G N 1.573 110.236 108.800 -0.228 0.000 2.179 580 G HA2 -0.280 3.673 3.960 -0.011 0.000 0.257 580 G HA3 -0.280 3.673 3.960 -0.011 0.000 0.257 580 G C -0.043 174.305 174.900 -0.920 0.000 1.010 580 G CA 0.688 45.572 45.100 -0.360 0.000 0.736 580 G HN 0.491 nan 8.290 nan 0.000 0.513 581 E N -1.490 118.099 120.200 -1.019 0.000 2.456 581 E HA 0.702 5.046 4.350 -0.011 0.000 0.276 581 E C -0.396 175.699 176.600 -0.842 0.000 0.981 581 E CA -0.575 55.328 56.400 -0.827 0.000 0.814 581 E CB 0.992 30.535 29.700 -0.263 0.000 1.382 581 E HN 0.478 nan 8.360 nan 0.000 0.459 582 S N 0.054 115.566 115.700 -0.313 0.000 2.465 582 S HA 0.091 4.555 4.470 -0.011 0.000 0.279 582 S C 0.106 174.628 174.600 -0.131 0.000 1.201 582 S CA -0.575 57.618 58.200 -0.011 0.000 1.053 582 S CB 0.138 63.441 63.200 0.172 0.000 0.953 582 S HN 0.689 nan 8.310 nan 0.000 0.488 583 Y N 5.690 125.778 120.300 -0.354 0.000 2.200 583 Y HA -0.098 4.445 4.550 -0.011 0.000 0.290 583 Y C 2.481 178.061 175.900 -0.534 0.000 1.137 583 Y CA 1.934 59.517 58.100 -0.861 0.000 1.163 583 Y CB -0.148 37.762 38.460 -0.916 0.000 0.988 583 Y HN 0.813 nan 8.280 nan 0.000 0.518 584 R N 0.590 120.917 120.500 -0.289 0.000 2.091 584 R HA -0.214 4.119 4.340 -0.011 0.000 0.238 584 R C 2.263 178.304 176.300 -0.431 0.000 1.136 584 R CA 1.544 57.446 56.100 -0.329 0.000 0.959 584 R CB -0.619 29.735 30.300 0.091 0.000 0.856 584 R HN 0.444 nan 8.270 nan 0.000 0.437 585 A N 0.145 122.821 122.820 -0.240 0.000 1.898 585 A HA -0.210 4.104 4.320 -0.011 0.000 0.216 585 A C 2.027 179.426 177.584 -0.309 0.000 1.181 585 A CA 1.293 53.212 52.037 -0.197 0.000 0.620 585 A CB -0.963 17.995 19.000 -0.069 0.000 0.819 585 A HN 0.634 nan 8.150 nan 0.000 0.442 586 Y N 0.956 120.944 120.300 -0.520 0.000 2.114 586 Y HA -0.269 4.274 4.550 -0.011 0.000 0.282 586 Y C 2.378 177.813 175.900 -0.774 0.000 1.165 586 Y CA 2.320 60.066 58.100 -0.589 0.000 1.148 586 Y CB -0.147 37.900 38.460 -0.687 0.000 0.972 586 Y HN 0.200 nan 8.280 nan 0.000 0.504 587 R N 0.510 120.265 120.500 -1.242 0.000 2.115 587 R HA -0.086 4.247 4.340 -0.011 0.000 0.226 587 R C 2.065 177.729 176.300 -1.060 0.000 1.100 587 R CA 1.438 56.630 56.100 -1.515 0.000 0.980 587 R CB -0.635 28.128 30.300 -2.562 0.000 0.875 587 R HN 0.553 nan 8.270 nan 0.000 0.445 588 E N 0.681 120.416 120.200 -0.775 0.000 2.106 588 E HA -0.140 4.204 4.350 -0.011 0.000 0.192 588 E C 1.329 177.751 176.600 -0.296 0.000 0.984 588 E CA 1.061 57.241 56.400 -0.367 0.000 0.806 588 E CB 0.038 29.637 29.700 -0.169 0.000 0.750 588 E HN 0.250 nan 8.360 nan 0.000 0.458 589 D N 0.398 120.591 120.400 -0.344 0.000 2.097 589 D HA -0.167 4.467 4.640 -0.011 0.000 0.195 589 D C 1.888 178.013 176.300 -0.292 0.000 0.989 589 D CA 0.927 54.769 54.000 -0.263 0.000 0.827 589 D CB -0.204 40.450 40.800 -0.242 0.000 0.966 589 D HN 0.143 nan 8.370 nan 0.000 0.456 590 M N 0.491 119.811 119.600 -0.467 0.000 2.108 590 M HA -0.150 4.323 4.480 -0.011 0.000 0.261 590 M C 2.167 178.326 176.300 -0.236 0.000 1.066 590 M CA 1.035 56.091 55.300 -0.406 0.000 1.107 590 M CB 0.009 32.240 32.600 -0.615 0.000 1.356 590 M HN 0.029 nan 8.290 nan 0.000 0.406 591 L N 0.161 121.241 121.223 -0.238 0.000 2.017 591 L HA -0.288 4.045 4.340 -0.011 0.000 0.208 591 L C 2.160 178.993 176.870 -0.062 0.000 1.073 591 L CA 1.814 56.599 54.840 -0.092 0.000 0.745 591 L CB -0.402 41.643 42.059 -0.023 0.000 0.894 591 L HN 0.332 nan 8.230 nan 0.000 0.432 592 K N -0.597 119.753 120.400 -0.083 0.000 2.057 592 K HA -0.172 4.141 4.320 -0.011 0.000 0.207 592 K C 2.113 178.688 176.600 -0.042 0.000 1.049 592 K CA 1.328 57.582 56.287 -0.054 0.000 0.931 592 K CB -0.124 32.342 32.500 -0.058 0.000 0.714 592 K HN 0.377 nan 8.250 nan 0.000 0.440 593 R N 0.853 121.320 120.500 -0.055 0.000 2.081 593 R HA -0.118 4.215 4.340 -0.011 0.000 0.235 593 R C 1.719 178.034 176.300 0.024 0.000 1.131 593 R CA 1.449 57.536 56.100 -0.022 0.000 0.960 593 R CB -0.277 30.001 30.300 -0.036 0.000 0.856 593 R HN 0.208 nan 8.270 nan 0.000 0.436 594 D N -0.215 120.204 120.400 0.031 0.000 2.183 594 D HA -0.065 4.569 4.640 -0.011 0.000 0.203 594 D C 1.699 178.017 176.300 0.029 0.000 0.969 594 D CA 1.146 55.217 54.000 0.119 0.000 0.842 594 D CB -0.140 40.760 40.800 0.167 0.000 0.957 594 D HN 0.132 nan 8.370 nan 0.000 0.484 595 T N 0.891 115.433 114.554 -0.019 0.000 2.788 595 T HA -0.053 4.290 4.350 -0.011 0.000 0.268 595 T C 2.167 176.836 174.700 -0.052 0.000 1.044 595 T CA 0.560 62.623 62.100 -0.062 0.000 1.139 595 T CB -0.098 68.743 68.868 -0.044 0.000 0.867 595 T HN 0.136 nan 8.240 nan 0.000 0.454 596 L N 0.498 121.713 121.223 -0.013 0.000 2.056 596 L HA -0.036 4.297 4.340 -0.011 0.000 0.207 596 L C 2.787 179.681 176.870 0.039 0.000 1.078 596 L CA 1.147 55.989 54.840 0.003 0.000 0.749 596 L CB -0.455 41.609 42.059 0.009 0.000 0.901 596 L HN 0.174 nan 8.230 nan 0.000 0.433 597 E N 0.737 120.994 120.200 0.095 0.000 2.118 597 E HA -0.254 4.089 4.350 -0.011 0.000 0.195 597 E C 1.998 178.764 176.600 0.276 0.000 0.992 597 E CA 1.109 57.644 56.400 0.225 0.000 0.804 597 E CB -0.291 29.605 29.700 0.326 0.000 0.741 597 E HN 0.253 nan 8.360 nan 0.000 0.458 598 L N 0.484 121.688 121.223 -0.032 0.000 2.127 598 L HA -0.163 4.170 4.340 -0.011 0.000 0.211 598 L C 2.114 178.960 176.870 -0.041 0.000 1.089 598 L CA 2.251 56.883 54.840 -0.348 0.000 0.757 598 L CB -0.751 40.914 42.059 -0.657 0.000 0.899 598 L HN 0.257 nan 8.230 nan 0.000 0.434 599 S N -1.232 114.457 115.700 -0.018 0.000 2.474 599 S HA -0.204 4.259 4.470 -0.011 0.000 0.235 599 S C 2.152 176.757 174.600 0.008 0.000 0.997 599 S CA 0.763 58.956 58.200 -0.011 0.000 0.949 599 S CB -0.704 62.481 63.200 -0.024 0.000 0.766 599 S HN 0.596 nan 8.310 nan 0.000 0.517 600 R N -0.425 120.097 120.500 0.038 0.000 2.189 600 R HA -0.007 4.327 4.340 -0.011 0.000 0.223 600 R C 0.977 177.118 176.300 -0.264 0.000 1.092 600 R CA 1.157 57.193 56.100 -0.108 0.000 0.989 600 R CB -0.157 30.059 30.300 -0.140 0.000 0.876 600 R HN 0.589 nan 8.270 nan 0.000 0.457 601 Y N -1.328 118.986 120.300 0.024 0.000 2.507 601 Y HA 0.193 4.736 4.550 -0.011 0.000 0.263 601 Y C 0.290 176.190 175.900 -0.001 0.000 1.093 601 Y CA -0.190 57.933 58.100 0.039 0.000 1.285 601 Y CB 0.899 39.428 38.460 0.115 0.000 1.115 601 Y HN -0.246 nan 8.280 nan 0.000 0.533 602 V N 0.884 120.853 119.914 0.093 0.000 2.350 602 V HA 0.379 4.492 4.120 -0.011 0.000 0.276 602 V C 0.948 177.045 176.094 0.005 0.000 1.028 602 V CA -0.254 62.067 62.300 0.035 0.000 0.860 602 V CB 0.722 32.540 31.823 -0.008 0.000 0.990 602 V HN 0.328 nan 8.190 nan 0.000 0.453 603 A N 4.576 127.399 122.820 0.006 0.000 1.851 603 A HA -0.138 4.175 4.320 -0.011 0.000 0.216 603 A C 2.284 179.861 177.584 -0.011 0.000 1.195 603 A CA 2.233 54.267 52.037 -0.005 0.000 0.622 603 A CB -0.704 18.297 19.000 0.001 0.000 0.831 603 A HN 1.034 nan 8.150 nan 0.000 0.444 604 S N -1.400 114.293 115.700 -0.010 0.000 2.547 604 S HA 0.051 4.514 4.470 -0.011 0.000 0.235 604 S C 0.780 175.367 174.600 -0.022 0.000 0.980 604 S CA 0.891 59.081 58.200 -0.016 0.000 0.941 604 S CB -0.602 62.589 63.200 -0.016 0.000 0.763 604 S HN 0.459 nan 8.310 nan 0.000 0.532 605 M N 2.802 122.388 119.600 -0.023 0.000 2.156 605 M HA 0.496 4.969 4.480 -0.011 0.000 0.345 605 M C 0.200 176.484 176.300 -0.028 0.000 1.398 605 M CA -0.169 55.112 55.300 -0.031 0.000 1.148 605 M CB 0.404 32.982 32.600 -0.038 0.000 1.663 605 M HN 0.287 nan 8.290 nan 0.000 0.464 606 A N 5.221 128.025 122.820 -0.027 0.000 2.567 606 A HA 0.033 4.347 4.320 -0.011 0.000 0.240 606 A C 0.418 177.987 177.584 -0.025 0.000 1.053 606 A CA 0.053 52.076 52.037 -0.024 0.000 0.755 606 A CB -0.031 18.955 19.000 -0.023 0.000 0.978 606 A HN 0.934 nan 8.150 nan 0.000 0.507 607 R N 1.640 122.126 120.500 -0.023 0.000 4.039 607 R HA -0.046 4.287 4.340 -0.011 0.000 0.202 607 R C 0.115 176.403 176.300 -0.021 0.000 2.247 607 R CA 0.893 56.979 56.100 -0.023 0.000 1.822 607 R CB -0.553 29.734 30.300 -0.022 0.000 1.059 607 R HN 0.869 nan 8.270 nan 0.000 0.610 608 Q N -2.299 117.487 119.800 -0.024 0.000 4.431 608 Q HA 0.006 4.339 4.340 -0.011 0.000 0.223 608 Q C -0.755 175.230 176.000 -0.025 0.000 0.873 608 Q CA 0.165 55.954 55.803 -0.023 0.000 0.692 608 Q CB -0.342 28.384 28.738 -0.019 0.000 0.810 608 Q HN 0.473 nan 8.270 nan 0.000 0.682 609 A N 0.878 123.682 122.820 -0.027 0.000 2.498 609 A HA 0.547 4.860 4.320 -0.011 0.000 0.239 609 A C 1.182 178.747 177.584 -0.033 0.000 1.068 609 A CA 0.902 52.923 52.037 -0.028 0.000 0.766 609 A CB 0.121 19.104 19.000 -0.029 0.000 1.003 609 A HN 0.334 nan 8.150 nan 0.000 0.497 610 G N -0.153 108.628 108.800 -0.031 0.000 2.065 610 G HA2 0.119 4.073 3.960 -0.011 0.000 0.396 610 G HA3 0.119 4.073 3.960 -0.011 0.000 0.396 610 G C 0.589 175.462 174.900 -0.045 0.000 1.446 610 G CA 0.644 45.724 45.100 -0.034 0.000 1.047 610 G HN 0.794 nan 8.290 nan 0.000 0.473 611 L N 0.683 121.880 121.223 -0.044 0.000 3.122 611 L HA 0.272 4.606 4.340 -0.011 0.000 0.274 611 L C 2.599 179.438 176.870 -0.052 0.000 1.222 611 L CA 0.324 55.131 54.840 -0.055 0.000 1.028 611 L CB 0.349 42.378 42.059 -0.050 0.000 1.386 611 L HN 0.560 nan 8.230 nan 0.000 0.578 612 A N 0.541 123.334 122.820 -0.044 0.000 1.884 612 A HA -0.217 4.097 4.320 -0.011 0.000 0.219 612 A C 1.998 179.553 177.584 -0.048 0.000 1.197 612 A CA 1.755 53.767 52.037 -0.042 0.000 0.637 612 A CB -0.159 18.820 19.000 -0.035 0.000 0.827 612 A HN 0.357 nan 8.150 nan 0.000 0.450 613 E N -0.395 119.775 120.200 -0.050 0.000 2.482 613 E HA 0.103 4.446 4.350 -0.011 0.000 0.196 613 E C 0.113 176.674 176.600 -0.065 0.000 1.047 613 E CA 0.053 56.420 56.400 -0.054 0.000 0.869 613 E CB -0.179 29.492 29.700 -0.049 0.000 0.836 613 E HN 0.590 nan 8.360 nan 0.000 0.520 614 L N 1.989 123.169 121.223 -0.071 0.000 2.305 614 L HA 0.149 4.483 4.340 -0.011 0.000 0.281 614 L C 1.048 177.861 176.870 -0.095 0.000 1.085 614 L CA -0.406 54.383 54.840 -0.085 0.000 0.813 614 L CB 0.956 42.962 42.059 -0.088 0.000 1.157 614 L HN -0.040 nan 8.230 nan 0.000 0.436 615 T N -0.276 114.207 114.554 -0.118 0.000 2.788 615 T HA 0.244 4.587 4.350 -0.011 0.000 0.280 615 T C -1.909 172.701 174.700 -0.150 0.000 0.984 615 T CA -1.551 60.465 62.100 -0.140 0.000 0.972 615 T CB 1.283 70.044 68.868 -0.179 0.000 1.039 615 T HN 0.322 nan 8.240 nan 0.000 0.530 616 P HA 0.088 nan 4.420 nan 0.000 0.217 616 P C 1.658 178.835 177.300 -0.204 0.000 1.151 616 P CA 0.750 63.765 63.100 -0.141 0.000 0.828 616 P CB -0.095 31.526 31.700 -0.130 0.000 0.788 617 I N -0.295 120.052 120.570 -0.372 0.000 2.179 617 I HA -0.247 3.916 4.170 -0.011 0.000 0.242 617 I C 1.837 177.700 176.117 -0.422 0.000 1.088 617 I CA 1.567 62.440 61.300 -0.712 0.000 1.357 617 I CB -0.806 36.592 38.000 -1.003 0.000 1.051 617 I HN -0.054 nan 8.210 nan 0.000 0.409 618 D N 1.133 121.366 120.400 -0.280 0.000 2.106 618 D HA -0.187 4.447 4.640 -0.011 0.000 0.191 618 D C 2.333 178.577 176.300 -0.095 0.000 0.997 618 D CA 1.416 55.318 54.000 -0.164 0.000 0.834 618 D CB -0.436 40.285 40.800 -0.131 0.000 0.956 618 D HN 0.292 nan 8.370 nan 0.000 0.448 619 L N 0.894 122.069 121.223 -0.081 0.000 2.017 619 L HA -0.158 4.175 4.340 -0.011 0.000 0.208 619 L C 2.406 179.303 176.870 0.046 0.000 1.073 619 L CA 1.093 55.921 54.840 -0.019 0.000 0.745 619 L CB -0.455 41.594 42.059 -0.017 0.000 0.894 619 L HN -0.016 nan 8.230 nan 0.000 0.432 620 E N -0.078 120.160 120.200 0.065 0.000 2.153 620 E HA -0.151 4.192 4.350 -0.011 0.000 0.194 620 E C 2.373 179.085 176.600 0.187 0.000 0.988 620 E CA 1.056 57.563 56.400 0.179 0.000 0.811 620 E CB -0.198 29.696 29.700 0.324 0.000 0.746 620 E HN 0.335 nan 8.360 nan 0.000 0.466 621 V N 1.354 121.348 119.914 0.133 0.000 2.453 621 V HA -0.175 3.938 4.120 -0.011 0.000 0.247 621 V C 2.425 178.571 176.094 0.086 0.000 1.048 621 V CA 1.026 63.397 62.300 0.118 0.000 1.049 621 V CB -0.344 31.517 31.823 0.064 0.000 0.672 621 V HN 0.191 nan 8.190 nan 0.000 0.457 622 L N -0.094 121.180 121.223 0.084 0.000 2.201 622 L HA -0.088 4.246 4.340 -0.011 0.000 0.212 622 L C 2.501 179.488 176.870 0.195 0.000 1.105 622 L CA 1.341 56.272 54.840 0.152 0.000 0.775 622 L CB -0.512 41.616 42.059 0.114 0.000 0.913 622 L HN 0.367 nan 8.230 nan 0.000 0.440 623 A N -1.462 121.451 122.820 0.155 0.000 2.030 623 A HA -0.078 4.235 4.320 -0.011 0.000 0.215 623 A C 0.635 178.286 177.584 0.113 0.000 1.164 623 A CA 0.895 53.022 52.037 0.150 0.000 0.697 623 A CB 0.077 19.177 19.000 0.168 0.000 0.827 623 A HN 0.324 nan 8.150 nan 0.000 0.457 624 D N -2.019 118.446 120.400 0.109 0.000 2.586 624 D HA 0.298 4.931 4.640 -0.011 0.000 0.254 624 D C -2.428 173.902 176.300 0.050 0.000 1.248 624 D CA -1.557 52.498 54.000 0.092 0.000 0.843 624 D CB 0.942 41.823 40.800 0.136 0.000 1.332 624 D HN -0.095 nan 8.370 nan 0.000 0.523 625 P HA -0.135 nan 4.420 nan 0.000 0.218 625 P C 1.038 178.315 177.300 -0.039 0.000 1.146 625 P CA 1.022 64.117 63.100 -0.009 0.000 0.820 625 P CB 0.149 31.825 31.700 -0.040 0.000 0.778 626 N N -0.438 118.246 118.700 -0.026 0.000 2.192 626 N HA -0.191 4.543 4.740 -0.011 0.000 0.188 626 N C 1.467 176.746 175.510 -0.385 0.000 1.013 626 N CA 0.897 53.922 53.050 -0.043 0.000 0.863 626 N CB -0.221 38.363 38.487 0.163 0.000 0.990 626 N HN 0.251 nan 8.380 nan 0.000 0.430 627 K N 0.321 120.424 120.400 -0.496 0.000 2.360 627 K HA -0.094 4.219 4.320 -0.011 0.000 0.201 627 K C 1.365 177.711 176.600 -0.422 0.000 1.046 627 K CA 0.423 56.185 56.287 -0.875 0.000 0.945 627 K CB 0.044 32.287 32.500 -0.429 0.000 0.750 627 K HN 0.099 nan 8.250 nan 0.000 0.464 628 L N 0.644 121.781 121.223 -0.143 0.000 2.552 628 L HA -0.070 4.264 4.340 -0.011 0.000 0.227 628 L C 1.795 178.649 176.870 -0.027 0.000 1.146 628 L CA 1.474 56.319 54.840 0.008 0.000 0.858 628 L CB -0.037 42.048 42.059 0.044 0.000 0.969 628 L HN 0.042 nan 8.230 nan 0.000 0.451 629 Q N -1.783 117.948 119.800 -0.115 0.000 2.304 629 Q HA 0.004 4.337 4.340 -0.011 0.000 0.204 629 Q C 1.060 177.067 176.000 0.011 0.000 0.936 629 Q CA 1.138 56.929 55.803 -0.020 0.000 0.878 629 Q CB 0.102 28.861 28.738 0.034 0.000 0.983 629 Q HN 0.642 nan 8.270 nan 0.000 0.516 630 Y N -2.128 118.151 120.300 -0.035 0.000 2.531 630 Y HA 0.532 5.076 4.550 -0.011 0.000 0.249 630 Y C 1.091 176.879 175.900 -0.186 0.000 1.168 630 Y CA -0.263 57.787 58.100 -0.084 0.000 1.226 630 Y CB 0.193 38.603 38.460 -0.084 0.000 1.177 630 Y HN -0.062 nan 8.280 nan 0.000 0.527 631 K N -1.493 118.724 120.400 -0.305 0.000 2.770 631 K HA 0.163 4.477 4.320 -0.011 0.000 0.195 631 K C -0.366 175.935 176.600 -0.498 0.000 1.515 631 K CA 0.033 56.015 56.287 -0.509 0.000 1.199 631 K CB 0.737 32.662 32.500 -0.958 0.000 1.681 631 K HN 0.141 nan 8.250 nan 0.000 0.586 632 W N 0.327 121.546 121.300 -0.135 0.000 3.207 632 W HA 0.505 5.158 4.660 -0.011 0.000 0.326 632 W C -0.352 176.110 176.519 -0.094 0.000 1.190 632 W CA -0.638 56.637 57.345 -0.117 0.000 1.011 632 W CB 0.869 30.263 29.460 -0.111 0.000 1.511 632 W HN -0.219 nan 8.180 nan 0.000 0.606 633 T N -0.147 114.519 114.554 0.187 0.000 2.906 633 T HA 0.124 4.468 4.350 -0.011 0.000 0.295 633 T C 0.918 175.654 174.700 0.061 0.000 1.075 633 T CA -0.376 61.773 62.100 0.081 0.000 1.005 633 T CB 1.673 70.504 68.868 -0.062 0.000 1.136 633 T HN 0.521 nan 8.240 nan 0.000 0.498 634 E N 2.217 122.461 120.200 0.072 0.000 2.136 634 E HA -0.273 4.070 4.350 -0.011 0.000 0.208 634 E C 1.833 178.341 176.600 -0.154 0.000 1.035 634 E CA 2.199 58.584 56.400 -0.026 0.000 0.838 634 E CB -0.337 29.258 29.700 -0.175 0.000 0.748 634 E HN 0.658 nan 8.360 nan 0.000 0.459 635 A N 0.594 123.338 122.820 -0.128 0.000 2.121 635 A HA -0.153 4.161 4.320 -0.011 0.000 0.218 635 A C 1.475 179.002 177.584 -0.095 0.000 1.154 635 A CA 1.496 53.455 52.037 -0.130 0.000 0.679 635 A CB -0.197 18.728 19.000 -0.126 0.000 0.795 635 A HN 0.377 nan 8.150 nan 0.000 0.458 636 D N -0.747 119.605 120.400 -0.079 0.000 2.355 636 D HA 0.113 4.747 4.640 -0.011 0.000 0.218 636 D C 0.028 176.200 176.300 -0.214 0.000 1.004 636 D CA 0.423 54.341 54.000 -0.137 0.000 0.880 636 D CB 0.293 40.984 40.800 -0.181 0.000 0.911 636 D HN 0.186 nan 8.370 nan 0.000 0.528 637 V N 1.327 121.161 119.914 -0.134 0.000 2.435 637 V HA 0.125 4.238 4.120 -0.011 0.000 0.290 637 V C 0.375 176.430 176.094 -0.066 0.000 1.030 637 V CA -0.825 61.411 62.300 -0.107 0.000 0.881 637 V CB 1.886 33.709 31.823 0.001 0.000 0.983 637 V HN -0.038 nan 8.190 nan 0.000 0.445 638 S N 3.372 119.025 115.700 -0.079 0.000 2.571 638 S HA 0.026 4.490 4.470 -0.011 0.000 0.298 638 S C 1.509 176.104 174.600 -0.009 0.000 1.280 638 S CA 0.270 58.437 58.200 -0.055 0.000 1.052 638 S CB 0.807 63.971 63.200 -0.060 0.000 0.799 638 S HN 1.057 nan 8.310 nan 0.000 0.501 639 A N 3.597 126.409 122.820 -0.014 0.000 1.933 639 A HA -0.183 4.130 4.320 -0.011 0.000 0.218 639 A C 2.041 179.651 177.584 0.044 0.000 1.175 639 A CA 1.575 53.622 52.037 0.017 0.000 0.628 639 A CB -0.622 18.369 19.000 -0.014 0.000 0.814 639 A HN 0.919 nan 8.150 nan 0.000 0.444 640 N N 0.204 118.911 118.700 0.013 0.000 2.381 640 N HA -0.107 4.627 4.740 -0.011 0.000 0.182 640 N C 1.254 176.775 175.510 0.019 0.000 1.025 640 N CA 1.377 54.435 53.050 0.014 0.000 0.888 640 N CB -0.394 38.090 38.487 -0.005 0.000 0.965 640 N HN 0.368 nan 8.380 nan 0.000 0.438 641 I N 1.328 121.907 120.570 0.015 0.000 2.400 641 I HA -0.114 4.049 4.170 -0.011 0.000 0.248 641 I C 2.458 178.586 176.117 0.019 0.000 1.109 641 I CA 0.718 62.020 61.300 0.003 0.000 1.425 641 I CB -1.584 36.402 38.000 -0.023 0.000 1.094 641 I HN 0.275 nan 8.210 nan 0.000 0.425 642 H N 1.865 120.921 119.070 -0.023 0.000 2.357 642 H HA -0.202 4.347 4.556 -0.011 0.000 0.296 642 H C 1.787 177.118 175.328 0.004 0.000 1.108 642 H CA 2.008 58.048 56.048 -0.013 0.000 1.273 642 H CB 0.311 30.059 29.762 -0.024 0.000 1.367 642 H HN 0.433 nan 8.280 nan 0.000 0.498 643 E N -0.183 120.039 120.200 0.036 0.000 2.265 643 E HA -0.105 4.239 4.350 -0.011 0.000 0.196 643 E C 2.360 178.972 176.600 0.020 0.000 0.996 643 E CA 0.776 57.188 56.400 0.021 0.000 0.832 643 E CB 0.187 29.916 29.700 0.047 0.000 0.756 643 E HN 0.284 nan 8.360 nan 0.000 0.491 644 V N 0.993 120.918 119.914 0.018 0.000 2.515 644 V HA -0.194 3.920 4.120 -0.011 0.000 0.250 644 V C 1.993 178.098 176.094 0.019 0.000 1.058 644 V CA 1.337 63.675 62.300 0.063 0.000 1.064 644 V CB -0.175 31.690 31.823 0.071 0.000 0.675 644 V HN 0.281 nan 8.190 nan 0.000 0.461 645 L N -1.543 119.639 121.223 -0.068 0.000 2.515 645 L HA 0.250 4.583 4.340 -0.011 0.000 0.223 645 L C 0.507 177.303 176.870 -0.123 0.000 1.079 645 L CA 0.327 55.106 54.840 -0.101 0.000 0.857 645 L CB 0.131 42.109 42.059 -0.135 0.000 1.050 645 L HN 0.273 nan 8.230 nan 0.000 0.476 646 M N -1.487 118.014 119.600 -0.165 0.000 2.619 646 M HA 0.408 4.881 4.480 -0.011 0.000 0.297 646 M C -1.263 175.042 176.300 0.009 0.000 1.229 646 M CA -0.501 54.734 55.300 -0.107 0.000 0.860 646 M CB 1.815 34.280 32.600 -0.225 0.000 1.741 646 M HN -0.134 nan 8.290 nan 0.000 0.462 647 H N -0.817 118.247 119.070 -0.010 0.000 2.806 647 H HA 0.732 5.282 4.556 -0.011 0.000 0.367 647 H C -0.693 174.664 175.328 0.047 0.000 1.136 647 H CA -0.233 55.826 56.048 0.019 0.000 1.178 647 H CB 1.885 31.651 29.762 0.007 0.000 1.718 647 H HN 0.838 nan 8.280 nan 0.000 0.540 648 G N 1.989 110.506 108.800 -0.472 0.000 2.454 648 G HA2 0.504 4.458 3.960 -0.011 0.000 0.329 648 G HA3 0.504 4.458 3.960 -0.011 0.000 0.329 648 G C -1.021 173.878 174.900 -0.002 0.000 1.177 648 G CA -0.575 44.449 45.100 -0.126 0.000 0.951 648 G HN 0.558 nan 8.290 nan 0.000 0.485 649 V N 0.647 120.598 119.914 0.061 0.000 2.743 649 V HA 0.404 4.517 4.120 -0.011 0.000 0.301 649 V C 0.999 177.119 176.094 0.043 0.000 1.057 649 V CA -0.465 61.883 62.300 0.079 0.000 1.006 649 V CB 1.717 33.586 31.823 0.076 0.000 1.024 649 V HN 1.060 nan 8.190 nan 0.000 0.473 650 S N 2.925 118.652 115.700 0.045 0.000 2.558 650 S HA 0.027 4.490 4.470 -0.011 0.000 0.293 650 S C 1.102 175.721 174.600 0.030 0.000 1.292 650 S CA -0.235 57.984 58.200 0.032 0.000 1.063 650 S CB 0.826 64.046 63.200 0.033 0.000 0.831 650 S HN 0.524 nan 8.310 nan 0.000 0.499 651 V N 2.469 122.396 119.914 0.022 0.000 2.407 651 V HA -0.185 3.928 4.120 -0.011 0.000 0.248 651 V C 2.391 178.504 176.094 0.032 0.000 1.055 651 V CA 2.155 64.469 62.300 0.023 0.000 1.049 651 V CB -1.485 30.345 31.823 0.011 0.000 0.662 651 V HN 0.883 nan 8.190 nan 0.000 0.455 652 E N 0.648 120.865 120.200 0.029 0.000 2.150 652 E HA -0.166 4.177 4.350 -0.011 0.000 0.193 652 E C 2.113 178.741 176.600 0.047 0.000 0.985 652 E CA 0.998 57.417 56.400 0.032 0.000 0.814 652 E CB -0.360 29.354 29.700 0.024 0.000 0.752 652 E HN 0.551 nan 8.360 nan 0.000 0.466 653 K N -0.043 120.387 120.400 0.049 0.000 2.155 653 K HA -0.047 4.267 4.320 -0.011 0.000 0.203 653 K C 2.247 178.909 176.600 0.104 0.000 1.052 653 K CA 1.579 57.903 56.287 0.063 0.000 0.948 653 K CB -0.069 32.456 32.500 0.041 0.000 0.728 653 K HN 0.316 nan 8.250 nan 0.000 0.448 654 T N -1.626 112.987 114.554 0.098 0.000 2.942 654 T HA -0.070 4.274 4.350 -0.011 0.000 0.265 654 T C 1.796 176.607 174.700 0.185 0.000 1.062 654 T CA 0.815 63.012 62.100 0.161 0.000 1.139 654 T CB -0.014 68.924 68.868 0.118 0.000 0.883 654 T HN 0.197 nan 8.240 nan 0.000 0.468 655 E N 1.015 121.277 120.200 0.102 0.000 2.058 655 E HA -0.180 4.164 4.350 -0.011 0.000 0.194 655 E C 2.532 179.169 176.600 0.061 0.000 0.997 655 E CA 0.921 57.358 56.400 0.061 0.000 0.801 655 E CB -0.098 29.623 29.700 0.034 0.000 0.746 655 E HN 0.501 nan 8.360 nan 0.000 0.450 656 R N -0.499 120.051 120.500 0.083 0.000 2.066 656 R HA -0.159 4.174 4.340 -0.011 0.000 0.232 656 R C 2.324 178.690 176.300 0.110 0.000 1.131 656 R CA 1.527 57.672 56.100 0.075 0.000 0.955 656 R CB -0.413 29.933 30.300 0.077 0.000 0.851 656 R HN 0.229 nan 8.270 nan 0.000 0.432 657 F N 0.986 120.959 119.950 0.039 0.000 2.095 657 F HA -0.220 4.300 4.527 -0.011 0.000 0.298 657 F C 1.851 177.695 175.800 0.073 0.000 1.104 657 F CA 1.434 59.485 58.000 0.084 0.000 1.232 657 F CB -0.490 38.568 39.000 0.096 0.000 0.987 657 F HN 0.059 nan 8.300 nan 0.000 0.475 658 L N 0.638 121.807 121.223 -0.090 0.000 2.131 658 L HA -0.156 4.177 4.340 -0.011 0.000 0.210 658 L C 2.599 179.292 176.870 -0.296 0.000 1.092 658 L CA 1.659 56.337 54.840 -0.270 0.000 0.759 658 L CB -0.683 41.335 42.059 -0.067 0.000 0.903 658 L HN 0.096 nan 8.230 nan 0.000 0.435 659 R N -1.013 119.387 120.500 -0.166 0.000 2.092 659 R HA -0.126 4.208 4.340 -0.011 0.000 0.231 659 R C 2.431 178.636 176.300 -0.159 0.000 1.119 659 R CA 1.353 57.367 56.100 -0.143 0.000 0.970 659 R CB -0.225 30.033 30.300 -0.071 0.000 0.864 659 R HN 0.595 nan 8.270 nan 0.000 0.440 660 S N -1.193 114.428 115.700 -0.132 0.000 2.515 660 S HA -0.006 4.457 4.470 -0.011 0.000 0.231 660 S C 1.675 176.228 174.600 -0.078 0.000 0.987 660 S CA 0.636 58.825 58.200 -0.019 0.000 0.936 660 S CB 0.313 63.584 63.200 0.117 0.000 0.766 660 S HN 0.087 nan 8.310 nan 0.000 0.528 661 V N 1.092 120.764 119.914 -0.403 0.000 2.521 661 V HA 0.272 4.386 4.120 -0.011 0.000 0.239 661 V C 1.381 177.006 176.094 -0.781 0.000 1.053 661 V CA 0.719 62.599 62.300 -0.699 0.000 1.073 661 V CB -0.319 30.882 31.823 -1.036 0.000 0.746 661 V HN 0.459 nan 8.190 nan 0.000 0.476 662 M N 0.593 119.746 119.600 -0.746 0.000 2.245 662 M HA 0.120 4.594 4.480 -0.011 0.000 0.330 662 M C -1.187 174.778 176.300 -0.559 0.000 1.098 662 M CA -1.076 53.717 55.300 -0.847 0.000 1.172 662 M CB 0.502 32.754 32.600 -0.580 0.000 1.467 662 M HN 0.020 nan 8.290 nan 0.000 0.454 663 P HA -0.087 nan 4.420 nan 0.000 0.210 663 P C 0.005 177.200 177.300 -0.175 0.000 1.185 663 P CA 1.469 64.415 63.100 -0.258 0.000 0.924 663 P CB 0.298 31.904 31.700 -0.156 0.000 0.786 664 R N 0.000 120.409 120.500 -0.151 0.000 2.786 664 R HA 0.000 4.333 4.340 -0.011 0.000 0.208 664 R CA 0.000 56.038 56.100 -0.102 0.000 0.921 664 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535