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 1wac_1_C 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 VLADPNKLSG TEADVSANIH EVLMHGVSVE DATA SEQUENCE KTERFLRSVM PR 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 0.000 177.278 177.300 -0.037 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 2 R N 2.812 123.291 120.500 -0.035 0.000 1.756 2 R HA -0.161 4.178 4.340 -0.002 0.000 0.379 2 R C 0.018 176.290 176.300 -0.047 0.000 1.251 2 R CA 0.722 56.802 56.100 -0.033 0.000 1.119 2 R CB 0.068 30.357 30.300 -0.020 0.000 3.262 2 R HN 0.737 nan 8.270 nan 0.000 0.487 3 R N 3.779 124.245 120.500 -0.058 0.000 2.698 3 R HA 0.367 4.707 4.340 -0.002 0.000 0.266 3 R C 0.077 176.336 176.300 -0.069 0.000 1.026 3 R CA 0.469 56.521 56.100 -0.080 0.000 1.102 3 R CB 0.698 30.947 30.300 -0.085 0.000 0.978 3 R HN 0.571 nan 8.270 nan 0.000 0.436 4 A N 4.102 126.873 122.820 -0.083 0.000 2.351 4 A HA 0.409 4.728 4.320 -0.002 0.000 0.257 4 A C -2.064 175.485 177.584 -0.058 0.000 1.087 4 A CA -1.655 50.352 52.037 -0.051 0.000 0.798 4 A CB -0.012 18.963 19.000 -0.043 0.000 1.033 4 A HN 0.724 nan 8.150 nan 0.000 0.488 5 P HA 0.462 nan 4.420 nan 0.000 0.275 5 P C -0.755 176.440 177.300 -0.175 0.000 1.228 5 P CA 0.195 63.202 63.100 -0.155 0.000 0.786 5 P CB 1.202 32.889 31.700 -0.022 0.000 0.927 6 A N 2.336 124.888 122.820 -0.447 0.000 2.455 6 A HA 0.792 5.111 4.320 -0.002 0.000 0.300 6 A C -1.576 175.768 177.584 -0.401 0.000 1.040 6 A CA -0.368 51.597 52.037 -0.118 0.000 0.697 6 A CB 0.810 19.948 19.000 0.230 0.000 1.265 6 A HN 0.323 nan 8.150 nan 0.000 0.407 7 F N 1.777 121.847 119.950 0.199 0.000 2.578 7 F HA 0.647 5.173 4.527 -0.002 0.000 0.311 7 F C -2.363 173.564 175.800 0.211 0.000 1.094 7 F CA -2.443 55.660 58.000 0.172 0.000 0.923 7 F CB 2.111 41.206 39.000 0.158 0.000 1.230 7 F HN 0.318 nan 8.300 nan 0.000 0.450 8 P HA 0.062 nan 4.420 nan 0.000 0.274 8 P C 0.752 178.259 177.300 0.344 0.000 1.237 8 P CA -0.363 62.910 63.100 0.289 0.000 0.793 8 P CB 1.500 33.309 31.700 0.182 0.000 0.977 9 L N 2.937 124.381 121.223 0.369 0.000 2.129 9 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 9 L C 2.455 179.465 176.870 0.234 0.000 1.087 9 L CA 2.577 57.638 54.840 0.369 0.000 0.757 9 L CB -1.841 40.435 42.059 0.363 0.000 0.896 9 L HN 0.527 nan 8.230 nan 0.000 0.434 10 S N -1.307 114.506 115.700 0.188 0.000 2.419 10 S HA -0.174 4.295 4.470 -0.002 0.000 0.233 10 S C 1.119 175.803 174.600 0.139 0.000 1.016 10 S CA 0.562 58.843 58.200 0.135 0.000 0.974 10 S CB -0.811 62.453 63.200 0.107 0.000 0.786 10 S HN 0.647 nan 8.310 nan 0.000 0.492 11 D N 0.646 121.153 120.400 0.179 0.000 2.414 11 D HA 0.006 4.645 4.640 -0.002 0.000 0.242 11 D C 1.273 177.642 176.300 0.115 0.000 1.129 11 D CA -0.072 54.029 54.000 0.168 0.000 0.885 11 D CB 0.893 41.852 40.800 0.265 0.000 1.198 11 D HN 0.220 nan 8.370 nan 0.000 0.437 12 I N 4.343 124.961 120.570 0.080 0.000 2.315 12 I HA -0.273 3.896 4.170 -0.002 0.000 0.251 12 I C 2.012 178.134 176.117 0.008 0.000 1.125 12 I CA 1.603 62.934 61.300 0.050 0.000 1.392 12 I CB -0.073 37.951 38.000 0.040 0.000 1.065 12 I HN 0.398 nan 8.210 nan 0.000 0.424 13 K N 0.431 120.791 120.400 -0.068 0.000 2.147 13 K HA -0.130 4.189 4.320 -0.002 0.000 0.205 13 K C 2.076 178.598 176.600 -0.130 0.000 1.049 13 K CA 1.405 57.567 56.287 -0.208 0.000 0.936 13 K CB -0.323 31.824 32.500 -0.588 0.000 0.722 13 K HN 0.523 nan 8.250 nan 0.000 0.446 14 A N 1.048 123.877 122.820 0.016 0.000 1.850 14 A HA -0.157 4.162 4.320 -0.002 0.000 0.212 14 A C 2.119 179.805 177.584 0.170 0.000 1.208 14 A CA 0.947 53.070 52.037 0.144 0.000 0.609 14 A CB -0.512 18.680 19.000 0.321 0.000 0.860 14 A HN 0.127 nan 8.150 nan 0.000 0.448 15 Q N -0.693 119.213 119.800 0.176 0.000 2.197 15 Q HA -0.160 4.179 4.340 -0.002 0.000 0.211 15 Q C 1.834 177.936 176.000 0.171 0.000 0.993 15 Q CA 1.748 57.667 55.803 0.193 0.000 0.883 15 Q CB -0.375 28.438 28.738 0.124 0.000 0.916 15 Q HN 0.556 nan 8.270 nan 0.000 0.418 16 M N -0.642 119.007 119.600 0.082 0.000 2.686 16 M HA -0.038 4.441 4.480 -0.002 0.000 0.246 16 M C 0.847 177.174 176.300 0.045 0.000 1.096 16 M CA 0.813 56.157 55.300 0.074 0.000 1.076 16 M CB -0.117 32.523 32.600 0.065 0.000 1.504 16 M HN 0.263 nan 8.290 nan 0.000 0.524 17 L N -1.415 119.733 121.223 -0.126 0.000 2.585 17 L HA 0.123 4.462 4.340 -0.002 0.000 0.226 17 L C -0.398 176.056 176.870 -0.693 0.000 1.113 17 L CA 0.045 54.592 54.840 -0.488 0.000 0.876 17 L CB 0.162 41.709 42.059 -0.852 0.000 1.072 17 L HN 0.013 nan 8.230 nan 0.000 0.468 18 F N 0.048 120.015 119.950 0.028 0.000 2.493 18 F HA 0.594 5.120 4.527 -0.001 0.000 0.329 18 F C 0.639 176.469 175.800 0.051 0.000 1.126 18 F CA -1.230 56.811 58.000 0.068 0.000 0.937 18 F CB 0.826 39.803 39.000 -0.037 0.000 1.146 18 F HN -0.237 nan 8.300 nan 0.000 0.442 19 A N 1.724 124.670 122.820 0.210 0.000 2.492 19 A HA 0.072 4.391 4.320 -0.002 0.000 0.236 19 A C 0.691 178.383 177.584 0.179 0.000 1.078 19 A CA -0.296 51.854 52.037 0.188 0.000 0.773 19 A CB 0.044 19.241 19.000 0.328 0.000 1.023 19 A HN 0.788 nan 8.150 nan 0.000 0.504 20 N N 0.706 119.490 118.700 0.139 0.000 3.243 20 N HA 0.077 4.816 4.740 -0.002 0.000 0.310 20 N C -0.146 175.414 175.510 0.083 0.000 1.313 20 N CA 0.286 53.393 53.050 0.095 0.000 1.204 20 N CB -0.907 37.622 38.487 0.069 0.000 1.483 20 N HN 0.795 nan 8.380 nan 0.000 0.553 21 N N -1.032 117.726 118.700 0.097 0.000 3.566 21 N HA 0.367 5.106 4.740 -0.002 0.000 0.354 21 N C 0.075 175.613 175.510 0.047 0.000 1.632 21 N CA -0.663 52.427 53.050 0.067 0.000 0.690 21 N CB 0.554 39.088 38.487 0.078 0.000 2.273 21 N HN -0.123 nan 8.380 nan 0.000 0.643 22 I N -0.682 119.906 120.570 0.029 0.000 3.570 22 I HA 0.126 4.295 4.170 -0.002 0.000 0.270 22 I C 1.445 177.541 176.117 -0.035 0.000 1.162 22 I CA 0.204 61.502 61.300 -0.004 0.000 1.413 22 I CB -0.257 37.745 38.000 0.003 0.000 1.437 22 I HN 0.453 nan 8.210 nan 0.000 0.457 23 K N 1.921 122.307 120.400 -0.024 0.000 1.972 23 K HA -0.216 4.103 4.320 -0.002 0.000 0.227 23 K C 1.959 178.440 176.600 -0.198 0.000 1.046 23 K CA 1.667 57.908 56.287 -0.075 0.000 1.013 23 K CB -1.099 31.397 32.500 -0.007 0.000 0.741 23 K HN 0.265 nan 8.250 nan 0.000 0.446 24 A N 1.443 124.162 122.820 -0.168 0.000 1.936 24 A HA -0.324 3.995 4.320 -0.002 0.000 0.260 24 A C 2.124 179.549 177.584 -0.265 0.000 2.436 24 A CA 2.654 54.571 52.037 -0.200 0.000 0.777 24 A CB -0.767 18.323 19.000 0.149 0.000 0.823 24 A HN 0.535 nan 8.150 nan 0.000 0.576 25 Q N -1.973 117.707 119.800 -0.200 0.000 2.378 25 Q HA 0.054 4.393 4.340 -0.002 0.000 0.216 25 Q C 2.046 177.887 176.000 -0.265 0.000 0.892 25 Q CA 0.796 56.462 55.803 -0.228 0.000 0.931 25 Q CB 0.166 28.845 28.738 -0.098 0.000 1.086 25 Q HN 0.911 nan 8.270 nan 0.000 0.528 26 Q N -0.287 119.376 119.800 -0.229 0.000 2.269 26 Q HA 0.098 4.437 4.340 -0.002 0.000 0.201 26 Q C 1.826 177.701 176.000 -0.208 0.000 0.946 26 Q CA 0.822 56.524 55.803 -0.169 0.000 0.877 26 Q CB 0.167 28.834 28.738 -0.119 0.000 0.963 26 Q HN 0.228 nan 8.270 nan 0.000 0.472 27 A N 1.681 124.266 122.820 -0.392 0.000 1.898 27 A HA -0.189 4.130 4.320 -0.002 0.000 0.216 27 A C 2.381 179.796 177.584 -0.282 0.000 1.181 27 A CA 1.714 53.507 52.037 -0.407 0.000 0.620 27 A CB -0.590 17.803 19.000 -1.011 0.000 0.819 27 A HN 0.434 nan 8.150 nan 0.000 0.442 28 S N 0.593 115.818 115.700 -0.792 0.000 2.374 28 S HA -0.223 4.246 4.470 -0.002 0.000 0.227 28 S C 1.596 176.123 174.600 -0.121 0.000 1.037 28 S CA 1.688 59.386 58.200 -0.837 0.000 1.024 28 S CB -0.327 62.115 63.200 -1.262 0.000 0.861 28 S HN 0.710 nan 8.310 nan 0.000 0.456 29 K N 0.150 120.527 120.400 -0.038 0.000 2.425 29 K HA 0.283 4.602 4.320 -0.002 0.000 0.201 29 K C 0.588 177.344 176.600 0.259 0.000 1.128 29 K CA -0.450 55.968 56.287 0.218 0.000 1.000 29 K CB 0.064 32.609 32.500 0.076 0.000 0.961 29 K HN 0.194 nan 8.250 nan 0.000 0.555 30 R N 3.204 123.760 120.500 0.094 0.000 2.442 30 R HA -0.141 4.199 4.340 -0.002 0.000 0.274 30 R C -0.171 176.266 176.300 0.228 0.000 0.944 30 R CA 0.797 56.962 56.100 0.109 0.000 1.097 30 R CB 0.160 30.501 30.300 0.069 0.000 0.847 30 R HN 0.307 nan 8.270 nan 0.000 0.430 31 S N 3.534 119.351 115.700 0.196 0.000 2.751 31 S HA 0.465 4.934 4.470 -0.002 0.000 0.310 31 S C -0.435 174.282 174.600 0.195 0.000 1.128 31 S CA -0.960 57.403 58.200 0.272 0.000 0.931 31 S CB 0.701 64.029 63.200 0.213 0.000 1.177 31 S HN 0.546 nan 8.310 nan 0.000 0.530 32 F N 1.555 121.568 119.950 0.106 0.000 2.623 32 F HA 0.409 4.935 4.527 -0.002 0.000 0.383 32 F C 0.074 175.902 175.800 0.046 0.000 1.077 32 F CA 0.785 58.816 58.000 0.052 0.000 1.268 32 F CB 0.041 39.067 39.000 0.044 0.000 1.053 32 F HN 0.605 nan 8.300 nan 0.000 0.571 33 K N 5.234 125.195 120.400 -0.731 0.000 2.501 33 K HA 0.346 4.665 4.320 -0.002 0.000 0.252 33 K C -1.407 174.780 176.600 -0.689 0.000 0.934 33 K CA -0.826 55.176 56.287 -0.475 0.000 0.797 33 K CB 1.981 34.354 32.500 -0.212 0.000 1.270 33 K HN 0.716 nan 8.250 nan 0.000 0.431 34 E N 0.872 120.806 120.200 -0.443 0.000 2.429 34 E HA 0.845 5.194 4.350 -0.002 0.000 0.276 34 E C -0.823 175.445 176.600 -0.552 0.000 0.953 34 E CA -1.528 54.570 56.400 -0.502 0.000 0.787 34 E CB 2.317 31.811 29.700 -0.343 0.000 1.307 34 E HN 0.572 nan 8.360 nan 0.000 0.458 35 G N -0.148 108.072 108.800 -0.967 0.000 2.341 35 G HA2 0.445 4.404 3.960 -0.002 0.000 0.300 35 G HA3 0.445 4.404 3.960 -0.002 0.000 0.300 35 G C -0.913 173.563 174.900 -0.706 0.000 1.706 35 G CA -0.467 44.139 45.100 -0.823 0.000 0.916 35 G HN 0.743 nan 8.290 nan 0.000 0.716 36 A N 1.666 124.332 122.820 -0.255 0.000 2.580 36 A HA 0.455 4.774 4.320 -0.002 0.000 0.244 36 A C 1.091 178.685 177.584 0.017 0.000 1.045 36 A CA 0.754 52.876 52.037 0.141 0.000 0.761 36 A CB -0.437 18.767 19.000 0.341 0.000 0.962 36 A HN 1.923 nan 8.150 nan 0.000 0.512 37 I N -0.297 120.292 120.570 0.030 0.000 2.886 37 I HA 0.417 4.586 4.170 -0.002 0.000 0.299 37 I C 0.470 176.617 176.117 0.049 0.000 1.044 37 I CA -0.640 60.670 61.300 0.016 0.000 1.310 37 I CB 0.945 38.952 38.000 0.011 0.000 1.441 37 I HN 0.709 nan 8.210 nan 0.000 0.578 38 E N 2.524 122.740 120.200 0.026 0.000 1.924 38 E HA 0.149 4.498 4.350 -0.002 0.000 0.261 38 E C 0.330 176.926 176.600 -0.007 0.000 1.088 38 E CA -0.273 56.142 56.400 0.025 0.000 0.909 38 E CB 0.510 30.224 29.700 0.024 0.000 1.112 38 E HN 0.837 nan 8.360 nan 0.000 0.425 39 T N 3.408 117.946 114.554 -0.026 0.000 2.624 39 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 39 T C -0.150 174.342 174.700 -0.347 0.000 1.041 39 T CA 1.640 63.644 62.100 -0.159 0.000 1.159 39 T CB -0.144 68.645 68.868 -0.131 0.000 0.863 39 T HN 0.389 nan 8.240 nan 0.000 0.434 40 Y N -0.487 119.830 120.300 0.028 0.000 2.615 40 Y HA 0.403 4.952 4.550 -0.002 0.000 0.341 40 Y C -0.070 175.847 175.900 0.028 0.000 1.089 40 Y CA -1.757 56.365 58.100 0.037 0.000 1.049 40 Y CB 1.075 39.596 38.460 0.101 0.000 1.296 40 Y HN -0.078 nan 8.280 nan 0.000 0.470 41 E N 0.741 121.064 120.200 0.204 0.000 2.765 41 E HA 0.152 4.501 4.350 -0.002 0.000 0.256 41 E C 0.619 177.285 176.600 0.111 0.000 0.935 41 E CA 1.369 57.834 56.400 0.108 0.000 0.954 41 E CB 0.036 29.775 29.700 0.065 0.000 0.908 41 E HN 0.894 nan 8.360 nan 0.000 0.500 42 G N 3.864 112.706 108.800 0.070 0.000 2.356 42 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.296 42 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.296 42 G C -0.201 174.731 174.900 0.053 0.000 1.022 42 G CA 0.203 45.335 45.100 0.055 0.000 0.961 42 G HN 0.422 nan 8.290 nan 0.000 0.510 43 L N -0.046 121.210 121.223 0.056 0.000 2.541 43 L HA 0.471 4.810 4.340 -0.002 0.000 0.266 43 L C -0.799 176.075 176.870 0.006 0.000 0.966 43 L CA -1.073 53.776 54.840 0.015 0.000 0.871 43 L CB 1.282 43.340 42.059 -0.003 0.000 1.232 43 L HN -0.000 nan 8.230 nan 0.000 0.408 44 L N 2.863 124.110 121.223 0.041 0.000 2.292 44 L HA 0.273 4.612 4.340 -0.002 0.000 0.284 44 L C 1.619 178.597 176.870 0.180 0.000 1.065 44 L CA 0.439 55.336 54.840 0.094 0.000 0.806 44 L CB 1.753 43.876 42.059 0.107 0.000 1.175 44 L HN 0.747 nan 8.230 nan 0.000 0.431 45 S N 1.960 117.805 115.700 0.243 0.000 2.441 45 S HA -0.148 4.321 4.470 -0.002 0.000 0.242 45 S C 1.120 175.996 174.600 0.461 0.000 1.018 45 S CA 1.240 59.707 58.200 0.446 0.000 0.988 45 S CB -0.549 62.862 63.200 0.352 0.000 0.778 45 S HN 0.604 nan 8.310 nan 0.000 0.498 46 V N -1.379 118.712 119.914 0.294 0.000 3.483 46 V HA 0.310 4.429 4.120 -0.002 0.000 0.301 46 V C 0.220 176.383 176.094 0.115 0.000 1.389 46 V CA -0.279 62.119 62.300 0.164 0.000 1.101 46 V CB -0.586 31.277 31.823 0.066 0.000 0.971 46 V HN 0.258 nan 8.190 nan 0.000 0.434 47 D N 2.349 122.862 120.400 0.189 0.000 2.472 47 D HA 0.106 4.745 4.640 -0.002 0.000 0.248 47 D C -1.168 175.176 176.300 0.074 0.000 1.174 47 D CA -1.381 52.693 54.000 0.123 0.000 0.883 47 D CB 1.788 42.679 40.800 0.152 0.000 1.149 47 D HN 0.140 nan 8.370 nan 0.000 0.488 48 P HA -0.234 nan 4.420 nan 0.000 0.218 48 P C 1.228 178.428 177.300 -0.168 0.000 1.165 48 P CA 1.847 64.877 63.100 -0.116 0.000 0.922 48 P CB 0.137 31.768 31.700 -0.115 0.000 0.794 49 R N -2.228 118.131 120.500 -0.234 0.000 2.096 49 R HA -0.179 4.160 4.340 -0.002 0.000 0.240 49 R C 2.278 178.310 176.300 -0.447 0.000 1.139 49 R CA 1.522 57.305 56.100 -0.529 0.000 0.952 49 R CB -1.252 28.510 30.300 -0.896 0.000 0.854 49 R HN 0.173 nan 8.270 nan 0.000 0.436 50 F N 1.149 120.949 119.950 -0.250 0.000 2.075 50 F HA -0.120 4.406 4.527 -0.002 0.000 0.297 50 F C 1.844 177.695 175.800 0.086 0.000 1.113 50 F CA 1.361 59.420 58.000 0.098 0.000 1.218 50 F CB -0.509 38.643 39.000 0.254 0.000 0.984 50 F HN -0.084 nan 8.300 nan 0.000 0.472 51 L N -0.805 120.362 121.223 -0.094 0.000 2.042 51 L HA -0.277 4.062 4.340 -0.002 0.000 0.210 51 L C 2.762 179.466 176.870 -0.277 0.000 1.076 51 L CA 1.717 56.356 54.840 -0.335 0.000 0.749 51 L CB -1.097 40.674 42.059 -0.480 0.000 0.893 51 L HN 0.238 nan 8.230 nan 0.000 0.432 52 S N -0.179 115.393 115.700 -0.213 0.000 2.370 52 S HA -0.256 4.213 4.470 -0.002 0.000 0.226 52 S C 1.981 176.532 174.600 -0.082 0.000 1.033 52 S CA 1.492 59.596 58.200 -0.158 0.000 1.011 52 S CB -0.394 62.697 63.200 -0.182 0.000 0.852 52 S HN 0.418 nan 8.310 nan 0.000 0.457 53 F N 2.600 122.401 119.950 -0.249 0.000 2.069 53 F HA -0.048 4.478 4.527 -0.002 0.000 0.298 53 F C 2.182 177.895 175.800 -0.146 0.000 1.113 53 F CA 1.878 59.766 58.000 -0.187 0.000 1.214 53 F CB -0.629 38.285 39.000 -0.143 0.000 0.978 53 F HN 0.097 nan 8.300 nan 0.000 0.474 54 K N 0.345 120.501 120.400 -0.406 0.000 2.044 54 K HA -0.298 4.021 4.320 -0.002 0.000 0.210 54 K C 1.942 178.474 176.600 -0.114 0.000 1.049 54 K CA 1.924 57.987 56.287 -0.372 0.000 0.927 54 K CB -1.059 31.397 32.500 -0.074 0.000 0.713 54 K HN 0.400 nan 8.250 nan 0.000 0.443 55 N N 1.183 119.936 118.700 0.090 0.000 2.104 55 N HA -0.217 4.522 4.740 -0.002 0.000 0.190 55 N C 1.808 177.352 175.510 0.055 0.000 1.024 55 N CA 1.795 54.934 53.050 0.149 0.000 0.853 55 N CB 0.034 38.626 38.487 0.176 0.000 1.008 55 N HN 0.337 nan 8.380 nan 0.000 0.424 56 E N -0.607 119.587 120.200 -0.010 0.000 2.028 56 E HA -0.150 4.199 4.350 -0.002 0.000 0.190 56 E C 1.946 178.564 176.600 0.030 0.000 0.984 56 E CA 0.702 57.120 56.400 0.030 0.000 0.800 56 E CB -0.275 29.437 29.700 0.020 0.000 0.758 56 E HN 0.317 nan 8.360 nan 0.000 0.448 57 L N 1.479 122.607 121.223 -0.160 0.000 2.013 57 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 57 L C 2.531 179.406 176.870 0.009 0.000 1.073 57 L CA 2.519 57.264 54.840 -0.159 0.000 0.753 57 L CB -0.890 40.834 42.059 -0.558 0.000 0.890 57 L HN 0.331 nan 8.230 nan 0.000 0.432 58 S N -0.488 115.219 115.700 0.011 0.000 2.359 58 S HA -0.309 4.160 4.470 -0.002 0.000 0.222 58 S C 2.098 176.922 174.600 0.373 0.000 1.038 58 S CA 1.573 59.898 58.200 0.209 0.000 1.051 58 S CB -0.798 62.532 63.200 0.216 0.000 0.944 58 S HN 0.522 nan 8.310 nan 0.000 0.433 59 R N -0.124 120.600 120.500 0.373 0.000 2.070 59 R HA -0.050 4.289 4.340 -0.002 0.000 0.233 59 R C 2.381 178.869 176.300 0.313 0.000 1.137 59 R CA 1.666 58.020 56.100 0.423 0.000 0.945 59 R CB -0.806 29.684 30.300 0.316 0.000 0.845 59 R HN 0.566 nan 8.270 nan 0.000 0.430 60 Y N 1.694 122.106 120.300 0.188 0.000 2.030 60 Y HA -0.256 4.293 4.550 -0.002 0.000 0.274 60 Y C 2.031 178.088 175.900 0.262 0.000 1.153 60 Y CA 1.745 59.971 58.100 0.211 0.000 1.115 60 Y CB -0.407 38.108 38.460 0.092 0.000 0.969 60 Y HN -0.041 nan 8.280 nan 0.000 0.488 61 L N -0.618 120.775 121.223 0.284 0.000 2.187 61 L HA -0.267 4.072 4.340 -0.002 0.000 0.213 61 L C 2.142 179.130 176.870 0.197 0.000 1.100 61 L CA 1.826 56.742 54.840 0.125 0.000 0.765 61 L CB -0.791 40.949 42.059 -0.531 0.000 0.904 61 L HN 0.357 nan 8.230 nan 0.000 0.437 62 T N -1.877 112.825 114.554 0.247 0.000 2.896 62 T HA -0.101 4.248 4.350 -0.002 0.000 0.263 62 T C 1.325 176.066 174.700 0.070 0.000 1.050 62 T CA 0.920 63.163 62.100 0.240 0.000 1.140 62 T CB -0.118 68.780 68.868 0.051 0.000 0.877 62 T HN 0.245 nan 8.240 nan 0.000 0.457 63 D N 0.604 120.983 120.400 -0.036 0.000 2.269 63 D HA -0.011 4.628 4.640 -0.002 0.000 0.208 63 D C 1.359 177.317 176.300 -0.571 0.000 0.963 63 D CA 0.959 54.800 54.000 -0.266 0.000 0.864 63 D CB -0.082 40.510 40.800 -0.348 0.000 0.936 63 D HN 0.516 nan 8.370 nan 0.000 0.505 64 H N -2.159 116.619 119.070 -0.486 0.000 2.827 64 H HA 0.270 4.825 4.556 -0.002 0.000 0.269 64 H C -0.278 174.389 175.328 -1.101 0.000 1.031 64 H CA 0.095 55.632 56.048 -0.851 0.000 1.202 64 H CB 0.408 29.423 29.762 -1.246 0.000 1.511 64 H HN -0.054 nan 8.280 nan 0.000 0.517 65 F N 0.507 120.510 119.950 0.089 0.000 2.593 65 F HA 0.335 4.862 4.527 -0.002 0.000 0.336 65 F C -2.560 173.337 175.800 0.162 0.000 1.491 65 F CA -2.902 55.189 58.000 0.151 0.000 1.114 65 F CB 0.617 39.742 39.000 0.208 0.000 1.468 65 F HN -0.149 nan 8.300 nan 0.000 0.579 66 P HA 0.012 nan 4.420 nan 0.000 0.267 66 P C 0.061 177.403 177.300 0.070 0.000 1.195 66 P CA 0.198 63.343 63.100 0.075 0.000 0.773 66 P CB 0.722 32.441 31.700 0.032 0.000 0.837 67 A N 2.646 125.474 122.820 0.012 0.000 2.351 67 A HA 0.231 4.550 4.320 -0.002 0.000 0.257 67 A C 0.101 177.645 177.584 -0.066 0.000 1.087 67 A CA -0.242 51.778 52.037 -0.029 0.000 0.798 67 A CB -0.161 18.817 19.000 -0.036 0.000 1.033 67 A HN 0.631 nan 8.150 nan 0.000 0.488 68 N N 0.716 119.297 118.700 -0.199 0.000 2.841 68 N HA 0.422 5.161 4.740 -0.002 0.000 0.257 68 N C -1.584 173.654 175.510 -0.454 0.000 1.396 68 N CA -0.236 52.490 53.050 -0.540 0.000 0.823 68 N CB 1.480 39.300 38.487 -1.111 0.000 1.162 68 N HN 0.329 nan 8.380 nan 0.000 0.503 69 V N 1.322 121.224 119.914 -0.020 0.000 2.540 69 V HA 0.213 4.332 4.120 -0.002 0.000 0.302 69 V C -0.123 176.121 176.094 0.250 0.000 1.035 69 V CA -0.932 61.419 62.300 0.085 0.000 0.873 69 V CB 1.809 33.572 31.823 -0.101 0.000 0.992 69 V HN 0.513 nan 8.190 nan 0.000 0.428 70 D N 2.488 123.068 120.400 0.299 0.000 2.433 70 D HA 0.117 4.756 4.640 -0.002 0.000 0.255 70 D C 1.013 177.410 176.300 0.162 0.000 1.226 70 D CA -0.523 53.611 54.000 0.222 0.000 1.015 70 D CB 0.660 41.547 40.800 0.144 0.000 1.091 70 D HN 0.665 nan 8.370 nan 0.000 0.527 71 E N -1.091 119.168 120.200 0.099 0.000 2.333 71 E HA -0.243 4.106 4.350 -0.002 0.000 0.200 71 E C 0.534 176.967 176.600 -0.278 0.000 1.010 71 E CA 1.063 57.440 56.400 -0.039 0.000 0.841 71 E CB -0.614 28.984 29.700 -0.170 0.000 0.757 71 E HN 0.501 nan 8.360 nan 0.000 0.508 72 Y N 0.177 120.407 120.300 -0.117 0.000 2.625 72 Y HA 0.304 4.853 4.550 -0.002 0.000 0.285 72 Y C 1.494 177.433 175.900 0.065 0.000 1.168 72 Y CA 0.023 57.951 58.100 -0.287 0.000 1.250 72 Y CB 0.839 39.008 38.460 -0.485 0.000 1.130 72 Y HN 0.140 nan 8.280 nan 0.000 0.526 73 G N 0.973 109.923 108.800 0.251 0.000 2.166 73 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.260 73 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.260 73 G C 0.378 175.383 174.900 0.175 0.000 0.986 73 G CA -0.178 45.044 45.100 0.202 0.000 0.683 73 G HN 0.372 nan 8.290 nan 0.000 0.527 74 R N -0.226 120.399 120.500 0.209 0.000 2.298 74 R HA 0.449 4.788 4.340 -0.002 0.000 0.310 74 R C 0.364 176.825 176.300 0.268 0.000 1.068 74 R CA -0.144 56.097 56.100 0.234 0.000 0.957 74 R CB 1.800 32.095 30.300 -0.008 0.000 1.003 74 R HN 0.290 nan 8.270 nan 0.000 0.454 75 V N 6.130 126.218 119.914 0.290 0.000 2.465 75 V HA 0.384 4.503 4.120 -0.002 0.000 0.279 75 V C -0.902 175.345 176.094 0.255 0.000 1.045 75 V CA -0.092 62.312 62.300 0.174 0.000 0.938 75 V CB 0.411 32.290 31.823 0.093 0.000 0.986 75 V HN 0.748 nan 8.190 nan 0.000 0.467 76 Y N 4.725 125.109 120.300 0.140 0.000 2.944 76 Y HA 0.937 5.487 4.550 -0.002 0.000 0.312 76 Y C 0.907 176.872 175.900 0.108 0.000 1.417 76 Y CA -0.383 57.797 58.100 0.133 0.000 1.105 76 Y CB 0.517 39.049 38.460 0.120 0.000 1.364 76 Y HN 1.241 nan 8.280 nan 0.000 0.540 77 G N 1.522 110.461 108.800 0.232 0.000 2.660 77 G HA2 -0.480 3.479 3.960 -0.002 0.000 0.321 77 G HA3 -0.480 3.479 3.960 -0.002 0.000 0.321 77 G C 0.730 175.653 174.900 0.038 0.000 1.246 77 G CA 1.019 46.187 45.100 0.112 0.000 1.000 77 G HN 1.478 nan 8.290 nan 0.000 0.550 78 N N 2.223 120.928 118.700 0.008 0.000 2.609 78 N HA 0.212 4.951 4.740 -0.002 0.000 0.190 78 N C 1.813 177.356 175.510 0.055 0.000 1.157 78 N CA 1.178 54.275 53.050 0.077 0.000 0.918 78 N CB -0.145 38.431 38.487 0.149 0.000 0.978 78 N HN 2.183 nan 8.380 nan 0.000 0.448 79 G N 0.179 108.977 108.800 -0.004 0.000 2.189 79 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.267 79 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.267 79 G C 0.111 175.025 174.900 0.023 0.000 0.975 79 G CA 0.387 45.498 45.100 0.019 0.000 0.644 79 G HN 0.267 nan 8.290 nan 0.000 0.537 80 V N 1.332 121.262 119.914 0.026 0.000 2.572 80 V HA 0.390 4.509 4.120 -0.002 0.000 0.291 80 V C 1.557 177.622 176.094 -0.048 0.000 1.039 80 V CA 1.011 63.328 62.300 0.027 0.000 1.055 80 V CB 1.337 33.229 31.823 0.115 0.000 0.969 80 V HN 0.637 nan 8.190 nan 0.000 0.482 81 R N 2.478 122.935 120.500 -0.071 0.000 2.437 81 R HA 0.349 4.688 4.340 -0.002 0.000 0.257 81 R C 0.442 176.695 176.300 -0.077 0.000 0.927 81 R CA 0.283 56.348 56.100 -0.058 0.000 1.078 81 R CB 0.880 31.170 30.300 -0.017 0.000 1.161 81 R HN 0.670 nan 8.270 nan 0.000 0.529 82 T N -0.131 114.311 114.554 -0.187 0.000 2.677 82 T HA 0.183 4.532 4.350 -0.002 0.000 0.305 82 T C -1.629 172.800 174.700 -0.452 0.000 1.569 82 T CA -0.737 61.233 62.100 -0.215 0.000 0.984 82 T CB 0.885 69.664 68.868 -0.149 0.000 1.629 82 T HN 0.437 nan 8.240 nan 0.000 0.494 83 N N 0.011 118.450 118.700 -0.433 0.000 2.327 83 N HA 0.365 5.104 4.740 -0.002 0.000 0.257 83 N C -0.071 174.961 175.510 -0.797 0.000 1.281 83 N CA -0.215 52.445 53.050 -0.649 0.000 0.942 83 N CB 0.032 38.041 38.487 -0.798 0.000 1.199 83 N HN 0.474 nan 8.380 nan 0.000 0.532 84 F N -1.662 118.038 119.950 -0.417 0.000 2.684 84 F HA 0.386 4.912 4.527 -0.001 0.000 0.298 84 F C 0.324 176.109 175.800 -0.026 0.000 1.120 84 F CA -0.538 57.371 58.000 -0.151 0.000 1.332 84 F CB -0.441 38.536 39.000 -0.039 0.000 0.986 84 F HN 0.384 nan 8.300 nan 0.000 0.524 85 F N -0.415 119.574 119.950 0.064 0.000 2.802 85 F HA 0.046 4.572 4.527 -0.002 0.000 0.300 85 F C 2.315 178.033 175.800 -0.138 0.000 1.168 85 F CA 0.088 58.038 58.000 -0.083 0.000 1.433 85 F CB -0.332 38.613 39.000 -0.092 0.000 1.115 85 F HN 0.205 nan 8.300 nan 0.000 0.582 86 G N 1.791 110.679 108.800 0.146 0.000 2.442 86 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.219 86 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.219 86 G C 1.657 176.679 174.900 0.204 0.000 1.141 86 G CA 0.964 46.168 45.100 0.174 0.000 0.763 86 G HN 0.473 nan 8.290 nan 0.000 0.554 87 M N -0.130 119.561 119.600 0.152 0.000 2.539 87 M HA 0.122 4.601 4.480 -0.002 0.000 0.261 87 M C 1.671 177.969 176.300 -0.003 0.000 1.069 87 M CA 1.027 56.412 55.300 0.142 0.000 1.081 87 M CB -0.261 32.422 32.600 0.138 0.000 1.412 87 M HN -0.029 nan 8.290 nan 0.000 0.482 88 R N 1.173 121.488 120.500 -0.308 0.000 2.526 88 R HA 0.126 4.465 4.340 -0.002 0.000 0.223 88 R C -0.343 175.596 176.300 -0.602 0.000 1.250 88 R CA 0.105 55.637 56.100 -0.946 0.000 1.227 88 R CB -0.652 28.883 30.300 -1.276 0.000 1.109 88 R HN 0.540 nan 8.270 nan 0.000 0.499 89 H N 0.424 119.511 119.070 0.028 0.000 2.502 89 H HA 0.231 4.786 4.556 -0.002 0.000 0.338 89 H C 0.574 176.091 175.328 0.316 0.000 1.155 89 H CA -0.515 55.648 56.048 0.192 0.000 1.237 89 H CB 1.543 31.395 29.762 0.150 0.000 1.534 89 H HN -0.118 nan 8.280 nan 0.000 0.523 90 M N 2.750 122.621 119.600 0.451 0.000 3.396 90 M HA 0.057 4.536 4.480 -0.002 0.000 0.255 90 M C -0.191 176.370 176.300 0.435 0.000 1.398 90 M CA -0.519 55.014 55.300 0.388 0.000 1.554 90 M CB -0.884 31.868 32.600 0.254 0.000 1.070 90 M HN 0.311 nan 8.290 nan 0.000 0.587 91 N N 2.395 121.308 118.700 0.356 0.000 2.256 91 N HA -0.001 4.739 4.740 -0.002 0.000 0.277 91 N C 1.277 176.895 175.510 0.180 0.000 1.362 91 N CA 1.134 54.328 53.050 0.240 0.000 0.861 91 N CB 0.328 38.950 38.487 0.225 0.000 1.136 91 N HN 0.927 nan 8.380 nan 0.000 0.492 92 G N 1.123 109.929 108.800 0.010 0.000 2.336 92 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.194 92 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.194 92 G C -0.432 174.063 174.900 -0.674 0.000 0.999 92 G CA -0.621 44.280 45.100 -0.330 0.000 0.669 92 G HN 0.404 nan 8.290 nan 0.000 0.482 93 F N 3.626 123.578 119.950 0.004 0.000 2.366 93 F HA 0.498 5.024 4.527 -0.002 0.000 0.366 93 F C -1.795 174.053 175.800 0.080 0.000 1.096 93 F CA -2.608 55.409 58.000 0.028 0.000 1.060 93 F CB 1.980 40.995 39.000 0.025 0.000 1.282 93 F HN -0.118 nan 8.300 nan 0.000 0.450 94 P HA 0.128 nan 4.420 nan 0.000 0.274 94 P C -0.359 177.055 177.300 0.190 0.000 1.231 94 P CA -0.486 62.692 63.100 0.130 0.000 0.790 94 P CB 1.187 32.924 31.700 0.062 0.000 0.951 95 M N 1.843 121.527 119.600 0.139 0.000 2.248 95 M HA 0.307 4.786 4.480 -0.002 0.000 0.345 95 M C -0.431 175.935 176.300 0.109 0.000 1.243 95 M CA 0.441 55.820 55.300 0.131 0.000 1.090 95 M CB -0.289 32.366 32.600 0.091 0.000 1.683 95 M HN 0.057 nan 8.290 nan 0.000 0.450 96 I N 4.708 125.341 120.570 0.105 0.000 2.377 96 I HA 0.596 4.765 4.170 -0.002 0.000 0.293 96 I C -2.160 174.008 176.117 0.085 0.000 0.987 96 I CA -2.553 58.784 61.300 0.061 0.000 1.185 96 I CB 1.001 39.006 38.000 0.008 0.000 1.341 96 I HN 0.633 nan 8.210 nan 0.000 0.455 97 P HA 0.526 nan 4.420 nan 0.000 0.292 97 P C -0.945 176.326 177.300 -0.047 0.000 1.304 97 P CA -0.554 62.563 63.100 0.029 0.000 0.848 97 P CB 1.949 33.719 31.700 0.116 0.000 1.260 98 A N -0.116 122.600 122.820 -0.173 0.000 2.259 98 A HA 0.502 4.821 4.320 -0.002 0.000 0.278 98 A C 0.414 177.909 177.584 -0.149 0.000 1.107 98 A CA -0.143 51.731 52.037 -0.271 0.000 0.828 98 A CB -0.530 17.969 19.000 -0.836 0.000 1.111 98 A HN 0.512 nan 8.150 nan 0.000 0.498 99 T N -0.652 113.880 114.554 -0.037 0.000 2.913 99 T HA 0.389 4.738 4.350 -0.002 0.000 0.287 99 T C -0.786 173.988 174.700 0.123 0.000 1.008 99 T CA -0.034 62.095 62.100 0.048 0.000 1.067 99 T CB 0.026 68.913 68.868 0.031 0.000 0.996 99 T HN 0.392 nan 8.240 nan 0.000 0.513 100 W N 4.738 126.097 121.300 0.098 0.000 2.316 100 W HA 0.401 5.060 4.660 -0.002 0.000 0.321 100 W C -1.904 174.663 176.519 0.079 0.000 1.203 100 W CA -1.960 55.463 57.345 0.130 0.000 1.214 100 W CB 0.702 30.240 29.460 0.129 0.000 1.169 100 W HN 0.453 nan 8.180 nan 0.000 0.561 101 P HA 0.093 nan 4.420 nan 0.000 0.287 101 P C -0.625 176.741 177.300 0.110 0.000 1.281 101 P CA -0.411 62.750 63.100 0.101 0.000 0.781 101 P CB 1.012 32.717 31.700 0.007 0.000 0.903 102 L N 3.340 124.603 121.223 0.066 0.000 2.540 102 L HA -0.014 4.325 4.340 -0.002 0.000 0.276 102 L C 1.836 178.701 176.870 -0.009 0.000 1.212 102 L CA 0.739 55.594 54.840 0.024 0.000 0.893 102 L CB -0.350 41.704 42.059 -0.009 0.000 1.138 102 L HN 0.503 nan 8.230 nan 0.000 0.491 103 A N 2.384 125.186 122.820 -0.030 0.000 2.021 103 A HA 0.098 4.417 4.320 -0.002 0.000 0.216 103 A C 1.083 178.644 177.584 -0.038 0.000 1.163 103 A CA 0.925 52.945 52.037 -0.028 0.000 0.676 103 A CB 0.013 18.989 19.000 -0.040 0.000 0.818 103 A HN 0.586 nan 8.150 nan 0.000 0.453 104 S N -0.038 115.628 115.700 -0.056 0.000 2.557 104 S HA 0.412 4.881 4.470 -0.002 0.000 0.291 104 S C -0.156 174.408 174.600 -0.061 0.000 1.116 104 S CA -0.435 57.734 58.200 -0.051 0.000 0.992 104 S CB 0.829 63.996 63.200 -0.054 0.000 1.028 104 S HN 0.468 nan 8.310 nan 0.000 0.484 105 N N 5.569 124.239 118.700 -0.049 0.000 2.238 105 N HA 0.140 4.879 4.740 -0.002 0.000 0.222 105 N C 0.967 176.463 175.510 -0.024 0.000 1.133 105 N CA -0.169 52.840 53.050 -0.068 0.000 0.854 105 N CB -0.282 38.151 38.487 -0.090 0.000 1.041 105 N HN 0.581 nan 8.380 nan 0.000 0.510 106 L N 0.257 121.476 121.223 -0.007 0.000 2.027 106 L HA -0.030 4.309 4.340 -0.002 0.000 0.206 106 L C 2.551 179.440 176.870 0.032 0.000 1.074 106 L CA 1.212 56.068 54.840 0.027 0.000 0.745 106 L CB -0.342 41.729 42.059 0.020 0.000 0.898 106 L HN 0.220 nan 8.230 nan 0.000 0.433 107 K N 0.816 121.214 120.400 -0.003 0.000 2.097 107 K HA -0.245 4.074 4.320 -0.002 0.000 0.206 107 K C 2.218 178.839 176.600 0.035 0.000 1.049 107 K CA 1.465 57.752 56.287 0.001 0.000 0.933 107 K CB 0.039 32.513 32.500 -0.044 0.000 0.717 107 K HN 0.089 nan 8.250 nan 0.000 0.442 108 K N 0.634 121.045 120.400 0.018 0.000 2.009 108 K HA -0.178 4.141 4.320 -0.002 0.000 0.210 108 K C 2.173 178.906 176.600 0.221 0.000 1.049 108 K CA 1.567 57.881 56.287 0.046 0.000 0.929 108 K CB -0.017 32.404 32.500 -0.133 0.000 0.714 108 K HN 0.108 nan 8.250 nan 0.000 0.440 109 R N -0.139 120.503 120.500 0.237 0.000 2.081 109 R HA -0.109 4.230 4.340 -0.002 0.000 0.235 109 R C 2.415 178.846 176.300 0.219 0.000 1.131 109 R CA 1.256 57.567 56.100 0.352 0.000 0.960 109 R CB -0.342 30.123 30.300 0.275 0.000 0.856 109 R HN 0.281 nan 8.270 nan 0.000 0.436 110 A N 1.529 124.436 122.820 0.145 0.000 1.858 110 A HA -0.170 4.149 4.320 -0.002 0.000 0.216 110 A C 1.392 179.031 177.584 0.093 0.000 1.190 110 A CA 1.675 53.769 52.037 0.096 0.000 0.617 110 A CB -0.454 18.584 19.000 0.065 0.000 0.827 110 A HN 0.160 nan 8.150 nan 0.000 0.443 111 D N -0.170 120.290 120.400 0.101 0.000 2.407 111 D HA 0.142 4.781 4.640 -0.002 0.000 0.234 111 D C 1.031 177.402 176.300 0.117 0.000 1.029 111 D CA 1.004 55.062 54.000 0.095 0.000 0.937 111 D CB -0.028 40.828 40.800 0.093 0.000 0.882 111 D HN 0.438 nan 8.370 nan 0.000 0.531 112 A N 0.099 122.999 122.820 0.135 0.000 2.603 112 A HA 0.119 4.438 4.320 -0.002 0.000 0.277 112 A C 0.170 177.785 177.584 0.051 0.000 1.158 112 A CA -0.304 51.800 52.037 0.112 0.000 0.962 112 A CB 0.507 19.608 19.000 0.168 0.000 1.189 112 A HN -0.083 nan 8.150 nan 0.000 0.552 113 D N -0.102 120.329 120.400 0.052 0.000 2.772 113 D HA -0.143 4.496 4.640 -0.002 0.000 0.233 113 D C -0.347 175.959 176.300 0.011 0.000 1.143 113 D CA 0.947 54.962 54.000 0.024 0.000 0.700 113 D CB -1.250 39.557 40.800 0.012 0.000 1.076 113 D HN 0.486 nan 8.370 nan 0.000 0.430 114 L N 0.019 121.266 121.223 0.041 0.000 2.309 114 L HA 0.578 4.917 4.340 -0.002 0.000 0.282 114 L C 1.151 178.072 176.870 0.084 0.000 1.036 114 L CA -0.807 54.062 54.840 0.048 0.000 0.806 114 L CB 1.503 43.602 42.059 0.066 0.000 1.220 114 L HN 0.035 nan 8.230 nan 0.000 0.429 115 A N 1.663 124.516 122.820 0.055 0.000 2.520 115 A HA 0.075 4.394 4.320 -0.002 0.000 0.235 115 A C 0.490 178.180 177.584 0.177 0.000 1.065 115 A CA -0.121 51.937 52.037 0.035 0.000 0.764 115 A CB 0.004 18.942 19.000 -0.102 0.000 1.002 115 A HN 0.842 nan 8.150 nan 0.000 0.502 116 D N 0.525 120.925 120.400 -0.000 0.000 2.395 116 D HA 0.427 5.066 4.640 -0.002 0.000 0.226 116 D C 0.367 176.285 176.300 -0.638 0.000 1.146 116 D CA 0.565 54.568 54.000 0.005 0.000 0.830 116 D CB -0.203 40.606 40.800 0.014 0.000 0.958 116 D HN 0.928 nan 8.370 nan 0.000 0.501 117 G N -0.474 107.610 108.800 -1.194 0.000 2.313 117 G HA2 0.353 4.312 3.960 -0.002 0.000 0.296 117 G HA3 0.353 4.312 3.960 -0.002 0.000 0.296 117 G C -3.254 170.934 174.900 -1.187 0.000 1.356 117 G CA -1.126 42.859 45.100 -1.858 0.000 0.833 117 G HN -0.108 nan 8.290 nan 0.000 0.552 118 P HA 0.229 nan 4.420 nan 0.000 0.268 118 P C 1.267 178.519 177.300 -0.080 0.000 1.204 118 P CA -0.053 62.939 63.100 -0.180 0.000 0.768 118 P CB 1.381 33.033 31.700 -0.081 0.000 0.842 119 V N 1.164 121.108 119.914 0.050 0.000 2.951 119 V HA 0.049 4.168 4.120 -0.002 0.000 0.255 119 V C 0.525 176.596 176.094 -0.038 0.000 1.088 119 V CA 1.589 63.846 62.300 -0.071 0.000 1.109 119 V CB -0.554 31.182 31.823 -0.145 0.000 0.724 119 V HN 0.597 nan 8.190 nan 0.000 0.471 120 S N -1.473 114.238 115.700 0.018 0.000 2.569 120 S HA 0.527 4.996 4.470 -0.002 0.000 0.280 120 S C 0.443 175.049 174.600 0.009 0.000 1.111 120 S CA 0.137 58.335 58.200 -0.002 0.000 0.887 120 S CB 1.939 65.134 63.200 -0.007 0.000 1.095 120 S HN 0.183 nan 8.310 nan 0.000 0.476 121 E N 1.602 121.794 120.200 -0.013 0.000 2.118 121 E HA -0.170 4.179 4.350 -0.002 0.000 0.195 121 E C 1.955 178.551 176.600 -0.007 0.000 0.992 121 E CA 1.802 58.196 56.400 -0.012 0.000 0.804 121 E CB -0.205 29.481 29.700 -0.023 0.000 0.741 121 E HN 0.684 nan 8.360 nan 0.000 0.458 122 R N 0.170 120.656 120.500 -0.023 0.000 2.082 122 R HA -0.175 4.164 4.340 -0.002 0.000 0.234 122 R C 1.553 177.837 176.300 -0.027 0.000 1.136 122 R CA 2.093 58.164 56.100 -0.048 0.000 0.935 122 R CB -0.420 29.833 30.300 -0.078 0.000 0.842 122 R HN 0.167 nan 8.270 nan 0.000 0.430 123 D N 0.120 120.534 120.400 0.022 0.000 2.116 123 D HA -0.202 4.437 4.640 -0.002 0.000 0.193 123 D C 1.587 177.989 176.300 0.171 0.000 0.998 123 D CA 1.655 55.695 54.000 0.068 0.000 0.836 123 D CB -0.681 40.281 40.800 0.271 0.000 0.951 123 D HN 0.353 nan 8.370 nan 0.000 0.449 124 N N 0.029 118.839 118.700 0.184 0.000 2.094 124 N HA -0.144 4.595 4.740 -0.002 0.000 0.191 124 N C 1.768 177.366 175.510 0.147 0.000 1.023 124 N CA 0.935 54.101 53.050 0.194 0.000 0.857 124 N CB -0.281 38.248 38.487 0.069 0.000 1.013 124 N HN 0.120 nan 8.380 nan 0.000 0.426 125 L N -0.082 121.176 121.223 0.059 0.000 2.046 125 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 125 L C 2.266 179.139 176.870 0.005 0.000 1.077 125 L CA 0.905 55.760 54.840 0.024 0.000 0.747 125 L CB -0.442 41.608 42.059 -0.014 0.000 0.896 125 L HN 0.278 nan 8.230 nan 0.000 0.432 126 L N -1.538 119.651 121.223 -0.056 0.000 1.994 126 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 126 L C 2.487 179.278 176.870 -0.131 0.000 1.071 126 L CA 1.546 56.292 54.840 -0.157 0.000 0.745 126 L CB -0.680 41.207 42.059 -0.286 0.000 0.892 126 L HN 0.072 nan 8.230 nan 0.000 0.431 127 F N 0.085 120.037 119.950 0.003 0.000 2.065 127 F HA -0.287 4.239 4.527 -0.002 0.000 0.298 127 F C 2.825 178.650 175.800 0.043 0.000 1.112 127 F CA 1.473 59.495 58.000 0.038 0.000 1.212 127 F CB -0.409 38.625 39.000 0.056 0.000 0.975 127 F HN -0.093 nan 8.300 nan 0.000 0.476 128 R N 0.080 120.716 120.500 0.226 0.000 2.091 128 R HA -0.182 4.157 4.340 -0.002 0.000 0.238 128 R C 2.441 178.793 176.300 0.087 0.000 1.136 128 R CA 1.218 57.394 56.100 0.127 0.000 0.959 128 R CB -0.835 29.518 30.300 0.088 0.000 0.856 128 R HN 0.328 nan 8.270 nan 0.000 0.437 129 A N 1.282 124.128 122.820 0.043 0.000 1.883 129 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 129 A C 2.407 179.996 177.584 0.008 0.000 1.186 129 A CA 1.882 53.917 52.037 -0.003 0.000 0.624 129 A CB -0.887 18.067 19.000 -0.077 0.000 0.822 129 A HN 0.423 nan 8.150 nan 0.000 0.444 130 A N -0.641 122.186 122.820 0.011 0.000 1.908 130 A HA -0.053 4.266 4.320 -0.002 0.000 0.218 130 A C 2.254 180.031 177.584 0.322 0.000 1.181 130 A CA 1.987 54.133 52.037 0.180 0.000 0.627 130 A CB -1.017 18.179 19.000 0.327 0.000 0.818 130 A HN 0.442 nan 8.150 nan 0.000 0.445 131 V N 0.031 120.088 119.914 0.239 0.000 2.261 131 V HA -0.302 3.817 4.120 -0.002 0.000 0.246 131 V C 2.643 178.885 176.094 0.248 0.000 1.047 131 V CA 2.313 64.739 62.300 0.209 0.000 1.015 131 V CB -0.870 30.953 31.823 0.001 0.000 0.642 131 V HN 0.549 nan 8.190 nan 0.000 0.446 132 R N -0.210 120.388 120.500 0.163 0.000 2.080 132 R HA -0.148 4.191 4.340 -0.002 0.000 0.236 132 R C 2.323 178.762 176.300 0.231 0.000 1.137 132 R CA 1.668 57.868 56.100 0.167 0.000 0.943 132 R CB -0.604 29.761 30.300 0.110 0.000 0.846 132 R HN 0.410 nan 8.270 nan 0.000 0.431 133 L N 0.162 121.530 121.223 0.241 0.000 2.083 133 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 133 L C 2.588 179.698 176.870 0.400 0.000 1.083 133 L CA 1.307 56.349 54.840 0.336 0.000 0.752 133 L CB -0.337 41.919 42.059 0.329 0.000 0.899 133 L HN 0.299 nan 8.230 nan 0.000 0.433 134 M N -1.465 118.367 119.600 0.386 0.000 2.236 134 M HA -0.095 4.384 4.480 -0.002 0.000 0.266 134 M C 1.263 177.564 176.300 0.002 0.000 1.070 134 M CA 1.640 57.059 55.300 0.199 0.000 1.137 134 M CB -0.003 32.692 32.600 0.159 0.000 1.378 134 M HN 0.090 nan 8.290 nan 0.000 0.426 135 F N -0.153 119.832 119.950 0.058 0.000 2.641 135 F HA 0.120 4.646 4.527 -0.001 0.000 0.302 135 F C 2.179 178.064 175.800 0.141 0.000 1.098 135 F CA -0.120 57.908 58.000 0.048 0.000 1.318 135 F CB -0.685 38.244 39.000 -0.119 0.000 1.035 135 F HN 0.117 nan 8.300 nan 0.000 0.551 136 S N -0.764 115.081 115.700 0.242 0.000 2.309 136 S HA -0.055 4.414 4.470 -0.002 0.000 0.206 136 S C 0.687 175.336 174.600 0.083 0.000 1.028 136 S CA 0.806 59.110 58.200 0.173 0.000 0.972 136 S CB -0.374 62.918 63.200 0.154 0.000 0.961 136 S HN 0.191 nan 8.310 nan 0.000 0.449 137 D N 2.459 122.890 120.400 0.051 0.000 2.772 137 D HA 0.424 5.064 4.640 -0.002 0.000 0.273 137 D C -0.541 175.746 176.300 -0.021 0.000 1.233 137 D CA -0.071 53.932 54.000 0.005 0.000 0.984 137 D CB 0.212 41.016 40.800 0.006 0.000 1.000 137 D HN 0.350 nan 8.370 nan 0.000 0.514 138 L N 0.539 121.741 121.223 -0.035 0.000 2.436 138 L HA 0.208 4.547 4.340 -0.002 0.000 0.265 138 L C 0.908 177.743 176.870 -0.057 0.000 1.168 138 L CA -0.208 54.597 54.840 -0.057 0.000 0.815 138 L CB 0.708 42.724 42.059 -0.073 0.000 1.109 138 L HN -0.083 nan 8.230 nan 0.000 0.462 139 E N 2.481 122.649 120.200 -0.052 0.000 2.187 139 E HA 0.370 4.720 4.350 -0.002 0.000 0.268 139 E C -2.323 174.257 176.600 -0.035 0.000 0.896 139 E CA -2.024 54.351 56.400 -0.042 0.000 0.766 139 E CB 1.588 31.267 29.700 -0.035 0.000 1.142 139 E HN 0.309 nan 8.360 nan 0.000 0.408 140 P HA 0.134 nan 4.420 nan 0.000 0.271 140 P C -0.387 176.913 177.300 -0.000 0.000 1.218 140 P CA -0.252 62.845 63.100 -0.005 0.000 0.780 140 P CB 0.924 32.626 31.700 0.004 0.000 0.901 141 V N -1.214 118.707 119.914 0.011 0.000 3.147 141 V HA 0.603 4.723 4.120 -0.002 0.000 0.306 141 V C -2.870 173.237 176.094 0.021 0.000 1.209 141 V CA -2.761 59.543 62.300 0.007 0.000 1.023 141 V CB 1.617 33.436 31.823 -0.007 0.000 1.059 141 V HN 0.402 nan 8.190 nan 0.000 0.435 142 P HA 0.109 nan 4.420 nan 0.000 0.267 142 P C -0.402 176.919 177.300 0.035 0.000 1.200 142 P CA -0.038 63.080 63.100 0.030 0.000 0.772 142 P CB 1.002 32.720 31.700 0.030 0.000 0.855 143 L N 3.141 124.388 121.223 0.040 0.000 2.295 143 L HA 0.146 4.485 4.340 -0.002 0.000 0.288 143 L C 0.595 177.509 176.870 0.074 0.000 1.079 143 L CA -0.514 54.353 54.840 0.047 0.000 0.830 143 L CB 0.134 42.203 42.059 0.016 0.000 1.200 143 L HN 0.242 nan 8.230 nan 0.000 0.438 144 K N 5.955 126.402 120.400 0.078 0.000 2.218 144 K HA 0.483 4.802 4.320 -0.002 0.000 0.276 144 K C -0.557 176.119 176.600 0.127 0.000 1.022 144 K CA -0.226 56.119 56.287 0.098 0.000 0.946 144 K CB 1.792 34.334 32.500 0.070 0.000 1.000 144 K HN 0.554 nan 8.250 nan 0.000 0.468 145 I N 2.040 122.692 120.570 0.138 0.000 2.498 145 I HA 0.267 4.436 4.170 -0.002 0.000 0.290 145 I C 0.460 176.627 176.117 0.083 0.000 1.032 145 I CA -1.091 60.287 61.300 0.130 0.000 1.073 145 I CB 1.858 39.940 38.000 0.137 0.000 1.251 145 I HN 0.209 nan 8.210 nan 0.000 0.426 146 R N 5.445 125.972 120.500 0.046 0.000 2.491 146 R HA 0.207 4.546 4.340 -0.002 0.000 0.283 146 R C -0.434 175.867 176.300 0.002 0.000 1.072 146 R CA -0.262 55.854 56.100 0.026 0.000 1.048 146 R CB 0.688 30.992 30.300 0.007 0.000 0.983 146 R HN 0.499 nan 8.270 nan 0.000 0.450 147 K N 1.632 122.045 120.400 0.022 0.000 2.401 147 K HA 0.107 4.426 4.320 -0.002 0.000 0.278 147 K C 0.979 177.569 176.600 -0.018 0.000 1.018 147 K CA 0.856 57.154 56.287 0.019 0.000 0.981 147 K CB 0.661 33.189 32.500 0.046 0.000 0.933 147 K HN 0.871 nan 8.250 nan 0.000 0.477 148 G N 1.678 110.462 108.800 -0.027 0.000 2.396 148 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.242 148 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.242 148 G C 0.347 175.210 174.900 -0.062 0.000 1.069 148 G CA 0.635 45.709 45.100 -0.043 0.000 0.633 148 G HN 0.760 nan 8.290 nan 0.000 0.517 149 S N 0.102 115.756 115.700 -0.076 0.000 2.560 149 S HA 0.455 4.924 4.470 -0.002 0.000 0.276 149 S C 0.422 174.952 174.600 -0.117 0.000 1.350 149 S CA 0.916 59.063 58.200 -0.088 0.000 1.024 149 S CB 1.572 64.711 63.200 -0.101 0.000 0.864 149 S HN 1.748 nan 8.310 nan 0.000 0.536 150 S N 0.291 115.937 115.700 -0.089 0.000 2.489 150 S HA 0.414 4.883 4.470 -0.002 0.000 0.291 150 S C 1.416 175.901 174.600 -0.191 0.000 1.151 150 S CA -0.150 57.996 58.200 -0.090 0.000 1.082 150 S CB 0.870 64.087 63.200 0.029 0.000 1.019 150 S HN 1.017 nan 8.310 nan 0.000 0.492 151 T N 1.754 116.166 114.554 -0.237 0.000 2.995 151 T HA 0.055 4.404 4.350 -0.002 0.000 0.269 151 T C 1.246 175.777 174.700 -0.281 0.000 1.091 151 T CA 0.712 62.656 62.100 -0.260 0.000 1.128 151 T CB -1.396 67.401 68.868 -0.118 0.000 0.891 151 T HN 0.880 nan 8.240 nan 0.000 0.492 152 C N -0.081 118.916 119.300 -0.504 0.000 0.168 152 C HA -0.204 4.255 4.460 -0.002 0.000 0.017 152 C C 0.925 175.022 174.990 -1.488 0.000 0.171 152 C CA -1.160 57.135 59.018 -1.204 0.000 0.499 152 C CB -1.656 25.750 27.740 -0.555 0.000 3.212 152 C HN 0.776 nan 8.230 nan 0.000 1.118 153 I N 3.776 123.506 120.570 -1.400 0.000 2.906 153 I HA -0.026 4.143 4.170 -0.002 0.000 0.301 153 I C -0.560 175.246 176.117 -0.517 0.000 1.221 153 I CA 0.294 61.105 61.300 -0.816 0.000 1.435 153 I CB 0.394 38.085 38.000 -0.515 0.000 1.345 153 I HN 0.594 nan 8.210 nan 0.000 0.558 154 P HA -0.065 nan 4.420 nan 0.000 0.226 154 P C 1.147 178.266 177.300 -0.301 0.000 1.160 154 P CA 1.025 63.833 63.100 -0.488 0.000 0.837 154 P CB 0.234 31.586 31.700 -0.580 0.000 0.860 155 Y N -0.572 119.698 120.300 -0.051 0.000 2.263 155 Y HA 0.126 4.675 4.550 -0.002 0.000 0.292 155 Y C 1.035 177.061 175.900 0.210 0.000 1.130 155 Y CA 0.108 58.250 58.100 0.071 0.000 1.179 155 Y CB -1.541 36.923 38.460 0.007 0.000 0.998 155 Y HN -0.239 nan 8.280 nan 0.000 0.532 156 F N -0.107 119.881 119.950 0.064 0.000 3.071 156 F HA -0.252 4.274 4.527 -0.001 0.000 0.295 156 F C 0.675 176.481 175.800 0.009 0.000 0.919 156 F CA 0.471 58.468 58.000 -0.006 0.000 1.050 156 F CB -1.768 37.209 39.000 -0.038 0.000 1.040 156 F HN -0.064 nan 8.300 nan 0.000 0.692 157 S N -0.299 115.474 115.700 0.122 0.000 2.586 157 S HA 0.490 4.959 4.470 -0.002 0.000 0.274 157 S C 1.000 175.594 174.600 -0.011 0.000 1.281 157 S CA -0.303 57.931 58.200 0.057 0.000 1.035 157 S CB 1.002 64.218 63.200 0.026 0.000 0.962 157 S HN 0.353 nan 8.310 nan 0.000 0.512 158 N N 1.360 120.053 118.700 -0.011 0.000 2.197 158 N HA 0.149 4.888 4.740 -0.002 0.000 0.201 158 N C -0.732 174.752 175.510 -0.043 0.000 1.148 158 N CA -0.143 52.887 53.050 -0.035 0.000 0.883 158 N CB 0.371 38.850 38.487 -0.013 0.000 1.012 158 N HN 0.598 nan 8.380 nan 0.000 0.507 159 D N 0.979 121.358 120.400 -0.036 0.000 2.339 159 D HA -0.035 4.604 4.640 -0.002 0.000 0.256 159 D C 1.129 177.400 176.300 -0.047 0.000 1.214 159 D CA -0.163 53.817 54.000 -0.033 0.000 0.877 159 D CB 0.894 41.678 40.800 -0.027 0.000 1.111 159 D HN -0.053 nan 8.370 nan 0.000 0.478 160 M N 4.613 124.192 119.600 -0.035 0.000 2.108 160 M HA -0.058 4.421 4.480 -0.002 0.000 0.261 160 M C 1.859 178.121 176.300 -0.064 0.000 1.066 160 M CA 2.136 57.410 55.300 -0.043 0.000 1.107 160 M CB -0.813 31.786 32.600 -0.003 0.000 1.356 160 M HN 0.495 nan 8.290 nan 0.000 0.406 161 G N -1.602 107.167 108.800 -0.052 0.000 2.440 161 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.218 161 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.218 161 G C 1.450 176.319 174.900 -0.052 0.000 1.154 161 G CA 1.478 46.542 45.100 -0.060 0.000 0.767 161 G HN 0.510 nan 8.290 nan 0.000 0.552 162 T N 0.803 115.329 114.554 -0.046 0.000 2.737 162 T HA -0.052 4.297 4.350 -0.002 0.000 0.265 162 T C 2.342 177.040 174.700 -0.004 0.000 1.038 162 T CA 1.356 63.431 62.100 -0.043 0.000 1.144 162 T CB -0.174 68.659 68.868 -0.057 0.000 0.866 162 T HN 0.293 nan 8.240 nan 0.000 0.434 163 K N 0.712 121.103 120.400 -0.015 0.000 2.113 163 K HA -0.081 4.239 4.320 -0.002 0.000 0.208 163 K C 2.099 178.799 176.600 0.165 0.000 1.047 163 K CA 1.065 57.376 56.287 0.041 0.000 0.928 163 K CB -0.288 32.131 32.500 -0.134 0.000 0.716 163 K HN 0.301 nan 8.250 nan 0.000 0.446 164 I N 1.638 122.229 120.570 0.035 0.000 2.394 164 I HA -0.177 3.992 4.170 -0.002 0.000 0.251 164 I C 2.047 178.170 176.117 0.010 0.000 1.136 164 I CA 1.394 62.698 61.300 0.006 0.000 1.425 164 I CB -0.989 36.950 38.000 -0.102 0.000 1.079 164 I HN 0.243 nan 8.210 nan 0.000 0.425 165 E N 1.191 121.393 120.200 0.004 0.000 2.001 165 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 165 E C 2.352 178.961 176.600 0.015 0.000 0.994 165 E CA 1.006 57.402 56.400 -0.008 0.000 0.815 165 E CB -0.183 29.501 29.700 -0.026 0.000 0.770 165 E HN 0.315 nan 8.360 nan 0.000 0.453 166 I N 1.643 122.247 120.570 0.057 0.000 2.141 166 I HA -0.410 3.760 4.170 -0.002 0.000 0.243 166 I C 2.615 178.739 176.117 0.012 0.000 1.035 166 I CA 1.647 63.008 61.300 0.102 0.000 1.302 166 I CB -0.486 37.676 38.000 0.270 0.000 1.006 166 I HN 0.153 nan 8.210 nan 0.000 0.413 167 A N 0.055 122.887 122.820 0.021 0.000 1.845 167 A HA -0.232 4.087 4.320 -0.002 0.000 0.215 167 A C 2.213 179.710 177.584 -0.145 0.000 1.195 167 A CA 1.886 53.822 52.037 -0.168 0.000 0.616 167 A CB -0.717 18.244 19.000 -0.064 0.000 0.832 167 A HN 0.488 nan 8.150 nan 0.000 0.443 168 E N -0.955 119.200 120.200 -0.075 0.000 2.058 168 E HA -0.271 4.078 4.350 -0.002 0.000 0.194 168 E C 2.292 178.847 176.600 -0.075 0.000 0.997 168 E CA 1.539 57.895 56.400 -0.073 0.000 0.801 168 E CB -0.182 29.494 29.700 -0.041 0.000 0.746 168 E HN 0.488 nan 8.360 nan 0.000 0.450 169 R N 1.213 121.681 120.500 -0.053 0.000 2.096 169 R HA -0.113 4.226 4.340 -0.002 0.000 0.235 169 R C 1.982 178.243 176.300 -0.065 0.000 1.127 169 R CA 1.609 57.686 56.100 -0.038 0.000 0.968 169 R CB -0.612 29.683 30.300 -0.007 0.000 0.861 169 R HN 0.152 nan 8.270 nan 0.000 0.440 170 A N 0.744 123.502 122.820 -0.103 0.000 1.908 170 A HA -0.097 4.222 4.320 -0.002 0.000 0.218 170 A C 2.197 179.675 177.584 -0.176 0.000 1.181 170 A CA 1.659 53.611 52.037 -0.142 0.000 0.627 170 A CB -0.628 18.245 19.000 -0.211 0.000 0.818 170 A HN 0.371 nan 8.150 nan 0.000 0.445 171 L N -1.048 120.031 121.223 -0.241 0.000 2.201 171 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 171 L C 2.435 179.285 176.870 -0.032 0.000 1.105 171 L CA 1.346 55.998 54.840 -0.313 0.000 0.775 171 L CB -0.793 40.998 42.059 -0.446 0.000 0.913 171 L HN 0.457 nan 8.230 nan 0.000 0.440 172 E N 0.695 120.860 120.200 -0.058 0.000 2.051 172 E HA -0.202 4.147 4.350 -0.002 0.000 0.192 172 E C 1.528 178.065 176.600 -0.106 0.000 0.991 172 E CA 1.249 57.624 56.400 -0.041 0.000 0.799 172 E CB 0.134 29.809 29.700 -0.042 0.000 0.748 172 E HN 0.169 nan 8.360 nan 0.000 0.449 173 K N -0.292 120.003 120.400 -0.176 0.000 2.372 173 K HA 0.221 4.540 4.320 -0.002 0.000 0.200 173 K C 1.016 177.383 176.600 -0.387 0.000 1.022 173 K CA 0.292 56.356 56.287 -0.371 0.000 1.125 173 K CB 0.469 32.591 32.500 -0.631 0.000 0.855 173 K HN 0.090 nan 8.250 nan 0.000 0.524 174 A N 1.155 123.868 122.820 -0.178 0.000 1.859 174 A HA -0.291 4.028 4.320 -0.002 0.000 0.217 174 A C 2.140 179.555 177.584 -0.282 0.000 1.198 174 A CA 2.087 54.105 52.037 -0.031 0.000 0.629 174 A CB -0.541 18.707 19.000 0.413 0.000 0.830 174 A HN 0.490 nan 8.150 nan 0.000 0.446 175 E N -0.500 119.157 120.200 -0.905 0.000 2.086 175 E HA -0.297 4.052 4.350 -0.002 0.000 0.200 175 E C 2.050 178.225 176.600 -0.708 0.000 1.012 175 E CA 1.683 57.084 56.400 -1.665 0.000 0.812 175 E CB -0.204 28.395 29.700 -1.836 0.000 0.743 175 E HN 0.757 nan 8.360 nan 0.000 0.453 176 E N -0.547 119.366 120.200 -0.479 0.000 2.150 176 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 176 E C 1.852 178.347 176.600 -0.175 0.000 0.985 176 E CA 0.865 57.094 56.400 -0.286 0.000 0.814 176 E CB -0.092 29.454 29.700 -0.258 0.000 0.752 176 E HN 0.371 nan 8.360 nan 0.000 0.466 177 A N 0.634 123.334 122.820 -0.199 0.000 1.897 177 A HA -0.014 4.305 4.320 -0.002 0.000 0.215 177 A C 2.391 179.990 177.584 0.024 0.000 1.181 177 A CA 1.410 53.427 52.037 -0.034 0.000 0.620 177 A CB -1.037 17.952 19.000 -0.019 0.000 0.821 177 A HN 0.424 nan 8.150 nan 0.000 0.443 178 G N 0.286 109.130 108.800 0.074 0.000 2.446 178 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.217 178 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.217 178 G C 1.437 176.415 174.900 0.129 0.000 1.168 178 G CA 1.143 46.359 45.100 0.193 0.000 0.771 178 G HN 0.509 nan 8.290 nan 0.000 0.551 179 N N 0.467 119.217 118.700 0.082 0.000 2.104 179 N HA -0.046 4.694 4.740 -0.002 0.000 0.190 179 N C 2.294 177.794 175.510 -0.017 0.000 1.024 179 N CA 0.685 53.762 53.050 0.044 0.000 0.853 179 N CB -0.470 38.014 38.487 -0.005 0.000 1.008 179 N HN 0.284 nan 8.380 nan 0.000 0.424 180 L N 0.621 121.822 121.223 -0.037 0.000 2.043 180 L HA -0.163 4.176 4.340 -0.002 0.000 0.212 180 L C 2.425 179.188 176.870 -0.178 0.000 1.075 180 L CA 1.181 55.977 54.840 -0.074 0.000 0.752 180 L CB -0.203 41.835 42.059 -0.034 0.000 0.891 180 L HN 0.203 nan 8.230 nan 0.000 0.432 181 M N -1.204 118.290 119.600 -0.176 0.000 2.132 181 M HA -0.230 4.249 4.480 -0.002 0.000 0.263 181 M C 2.248 178.391 176.300 -0.262 0.000 1.065 181 M CA 1.633 56.716 55.300 -0.362 0.000 1.122 181 M CB -0.253 32.305 32.600 -0.071 0.000 1.365 181 M HN 0.238 nan 8.290 nan 0.000 0.411 182 L N -0.206 120.976 121.223 -0.069 0.000 2.079 182 L HA -0.258 4.081 4.340 -0.002 0.000 0.210 182 L C 2.215 179.053 176.870 -0.054 0.000 1.081 182 L CA 1.436 56.270 54.840 -0.011 0.000 0.752 182 L CB -0.543 41.546 42.059 0.049 0.000 0.896 182 L HN 0.400 nan 8.230 nan 0.000 0.433 183 Q N -0.630 119.114 119.800 -0.093 0.000 2.451 183 Q HA 0.062 4.401 4.340 -0.002 0.000 0.206 183 Q C 1.414 177.330 176.000 -0.141 0.000 0.947 183 Q CA 0.613 56.365 55.803 -0.085 0.000 0.937 183 Q CB 0.350 29.046 28.738 -0.069 0.000 1.025 183 Q HN 0.599 nan 8.270 nan 0.000 0.511 184 G N 1.345 109.963 108.800 -0.304 0.000 2.141 184 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.231 184 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.231 184 G C 0.091 174.699 174.900 -0.487 0.000 0.984 184 G CA -0.112 44.728 45.100 -0.433 0.000 0.660 184 G HN 0.123 nan 8.290 nan 0.000 0.525 185 K N 0.800 120.950 120.400 -0.417 0.000 3.006 185 K HA 0.551 4.870 4.320 -0.002 0.000 0.265 185 K C 1.314 177.767 176.600 -0.244 0.000 1.279 185 K CA -0.436 55.712 56.287 -0.232 0.000 1.229 185 K CB -0.800 31.623 32.500 -0.128 0.000 1.555 185 K HN 0.414 nan 8.250 nan 0.000 0.300 186 F N 0.350 120.322 119.950 0.036 0.000 2.026 186 F HA -0.278 4.248 4.527 -0.002 0.000 0.296 186 F C 1.795 177.631 175.800 0.060 0.000 1.133 186 F CA 1.195 59.218 58.000 0.038 0.000 1.188 186 F CB -0.016 38.992 39.000 0.013 0.000 0.968 186 F HN 0.341 nan 8.300 nan 0.000 0.476 187 D N 0.328 120.867 120.400 0.231 0.000 2.172 187 D HA -0.192 4.447 4.640 -0.002 0.000 0.196 187 D C 1.683 178.064 176.300 0.134 0.000 0.999 187 D CA 1.669 55.774 54.000 0.174 0.000 0.856 187 D CB -0.564 40.303 40.800 0.111 0.000 0.934 187 D HN 0.300 nan 8.370 nan 0.000 0.453 188 D N 0.142 120.585 120.400 0.072 0.000 2.097 188 D HA -0.050 4.589 4.640 -0.002 0.000 0.197 188 D C 2.070 178.390 176.300 0.034 0.000 0.984 188 D CA 1.401 55.415 54.000 0.023 0.000 0.826 188 D CB -0.412 40.386 40.800 -0.004 0.000 0.973 188 D HN 0.150 nan 8.370 nan 0.000 0.460 189 A N -0.149 122.721 122.820 0.083 0.000 1.933 189 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 189 A C 2.168 179.841 177.584 0.148 0.000 1.175 189 A CA 1.297 53.421 52.037 0.145 0.000 0.628 189 A CB -0.918 18.168 19.000 0.142 0.000 0.814 189 A HN 0.347 nan 8.150 nan 0.000 0.444 190 Y N 0.378 120.697 120.300 0.032 0.000 2.130 190 Y HA -0.175 4.374 4.550 -0.002 0.000 0.287 190 Y C 2.501 178.364 175.900 -0.062 0.000 1.124 190 Y CA 2.129 60.219 58.100 -0.017 0.000 1.118 190 Y CB -0.726 37.716 38.460 -0.030 0.000 0.994 190 Y HN 0.416 nan 8.280 nan 0.000 0.497 191 Q N -0.078 119.594 119.800 -0.213 0.000 2.135 191 Q HA -0.192 4.147 4.340 -0.002 0.000 0.204 191 Q C 2.299 178.105 176.000 -0.323 0.000 0.981 191 Q CA 1.971 57.584 55.803 -0.317 0.000 0.856 191 Q CB -0.204 28.460 28.738 -0.123 0.000 0.902 191 Q HN 0.523 nan 8.270 nan 0.000 0.425 192 L N -0.745 120.284 121.223 -0.324 0.000 2.068 192 L HA -0.108 4.231 4.340 -0.002 0.000 0.204 192 L C 1.385 177.807 176.870 -0.746 0.000 1.076 192 L CA 0.863 55.359 54.840 -0.574 0.000 0.753 192 L CB -0.053 41.545 42.059 -0.768 0.000 0.910 192 L HN 0.356 nan 8.230 nan 0.000 0.439 193 H N -1.140 117.864 119.070 -0.110 0.000 2.767 193 H HA 0.212 4.767 4.556 -0.002 0.000 0.260 193 H C 0.004 175.264 175.328 -0.113 0.000 1.172 193 H CA -0.154 55.841 56.048 -0.088 0.000 1.048 193 H CB 0.765 30.494 29.762 -0.056 0.000 1.697 193 H HN 0.145 nan 8.280 nan 0.000 0.606 194 Q N 0.142 119.830 119.800 -0.185 0.000 2.450 194 Q HA -0.195 4.144 4.340 -0.002 0.000 0.255 194 Q C -0.211 175.807 176.000 0.030 0.000 1.003 194 Q CA 0.802 56.446 55.803 -0.266 0.000 1.097 194 Q CB -1.785 26.801 28.738 -0.253 0.000 1.544 194 Q HN 0.536 nan 8.270 nan 0.000 0.531 195 M N -0.056 119.610 119.600 0.110 0.000 2.069 195 M HA 0.509 4.988 4.480 -0.002 0.000 0.349 195 M C 0.923 177.331 176.300 0.181 0.000 1.194 195 M CA 0.534 55.900 55.300 0.110 0.000 1.081 195 M CB 1.019 33.670 32.600 0.085 0.000 1.500 195 M HN 0.406 nan 8.290 nan 0.000 0.438 196 G N 1.404 110.263 108.800 0.099 0.000 2.247 196 G HA2 0.354 4.313 3.960 -0.002 0.000 0.229 196 G HA3 0.354 4.313 3.960 -0.002 0.000 0.229 196 G C -0.145 174.608 174.900 -0.245 0.000 1.345 196 G CA -0.134 44.952 45.100 -0.023 0.000 1.100 196 G HN 1.122 nan 8.290 nan 0.000 0.473 197 G N -0.547 107.928 108.800 -0.541 0.000 2.833 197 G HA2 0.445 4.404 3.960 -0.002 0.000 0.260 197 G HA3 0.445 4.404 3.960 -0.002 0.000 0.260 197 G C 0.683 175.324 174.900 -0.432 0.000 1.412 197 G CA 2.166 46.792 45.100 -0.790 0.000 0.986 197 G HN 2.922 nan 8.290 nan 0.000 0.556 198 A N -2.207 120.403 122.820 -0.351 0.000 2.536 198 A HA 0.768 5.087 4.320 -0.002 0.000 0.293 198 A C -1.457 176.012 177.584 -0.192 0.000 1.119 198 A CA -0.231 51.697 52.037 -0.182 0.000 0.654 198 A CB 0.493 19.463 19.000 -0.050 0.000 1.291 198 A HN 1.479 nan 8.150 nan 0.000 0.439 199 Y N -0.860 119.440 120.300 0.000 0.000 2.419 199 Y HA 0.545 5.094 4.550 -0.002 0.000 0.328 199 Y C -0.567 175.425 175.900 0.153 0.000 1.162 199 Y CA 0.307 58.426 58.100 0.032 0.000 1.174 199 Y CB 1.600 40.055 38.460 -0.008 0.000 1.228 199 Y HN 0.625 nan 8.280 nan 0.000 0.473 200 Y N 2.368 122.795 120.300 0.212 0.000 2.402 200 Y HA 0.522 5.071 4.550 -0.002 0.000 0.332 200 Y C -0.841 175.145 175.900 0.143 0.000 0.960 200 Y CA -1.156 57.092 58.100 0.248 0.000 1.228 200 Y CB 0.356 39.003 38.460 0.313 0.000 1.120 200 Y HN 0.334 nan 8.280 nan 0.000 0.491 201 V N 7.273 127.015 119.914 -0.287 0.000 2.637 201 V HA 0.343 4.462 4.120 -0.002 0.000 0.296 201 V C -0.160 175.558 176.094 -0.625 0.000 1.046 201 V CA -0.071 61.960 62.300 -0.449 0.000 1.066 201 V CB 0.599 32.114 31.823 -0.514 0.000 0.968 201 V HN 0.619 nan 8.190 nan 0.000 0.483 202 V N 2.588 122.196 119.914 -0.509 0.000 2.808 202 V HA 0.570 4.689 4.120 -0.002 0.000 0.308 202 V C -1.452 174.385 176.094 -0.428 0.000 1.099 202 V CA -1.042 61.059 62.300 -0.331 0.000 0.920 202 V CB 1.719 33.508 31.823 -0.056 0.000 1.014 202 V HN 0.584 nan 8.190 nan 0.000 0.425 203 Y N 3.509 123.745 120.300 -0.108 0.000 2.518 203 Y HA 0.591 5.140 4.550 -0.002 0.000 0.344 203 Y C 1.081 176.924 175.900 -0.096 0.000 0.982 203 Y CA -0.428 57.611 58.100 -0.102 0.000 1.234 203 Y CB 0.855 39.248 38.460 -0.112 0.000 1.114 203 Y HN 0.551 nan 8.280 nan 0.000 0.515 204 R N 1.662 122.166 120.500 0.007 0.000 2.577 204 R HA 0.714 5.053 4.340 -0.002 0.000 0.269 204 R C -0.146 176.106 176.300 -0.079 0.000 1.084 204 R CA -0.632 55.433 56.100 -0.059 0.000 1.163 204 R CB 0.849 31.119 30.300 -0.050 0.000 1.100 204 R HN 0.660 nan 8.270 nan 0.000 0.547 205 A N 1.224 123.942 122.820 -0.171 0.000 2.295 205 A HA 0.275 4.594 4.320 -0.002 0.000 0.318 205 A C -0.503 177.005 177.584 -0.126 0.000 1.134 205 A CA -0.523 51.426 52.037 -0.147 0.000 0.827 205 A CB 1.058 19.944 19.000 -0.190 0.000 1.136 205 A HN 0.490 nan 8.150 nan 0.000 0.493 206 Q N 1.290 121.020 119.800 -0.116 0.000 2.965 206 Q HA 0.159 4.498 4.340 -0.002 0.000 0.288 206 Q C 0.826 176.706 176.000 -0.200 0.000 0.974 206 Q CA 0.176 55.909 55.803 -0.117 0.000 0.849 206 Q CB 0.851 29.534 28.738 -0.091 0.000 1.280 206 Q HN 0.958 nan 8.270 nan 0.000 0.441 207 S N -0.657 114.949 115.700 -0.158 0.000 2.520 207 S HA -0.085 4.384 4.470 -0.002 0.000 0.249 207 S C 0.859 175.324 174.600 -0.225 0.000 0.983 207 S CA 0.913 59.018 58.200 -0.159 0.000 0.958 207 S CB -0.368 62.822 63.200 -0.016 0.000 0.750 207 S HN 0.437 nan 8.310 nan 0.000 0.527 208 T N -0.903 113.537 114.554 -0.190 0.000 3.089 208 T HA 0.580 4.929 4.350 -0.002 0.000 0.340 208 T C -1.486 173.196 174.700 -0.031 0.000 1.008 208 T CA -0.861 61.219 62.100 -0.033 0.000 1.096 208 T CB 1.483 70.404 68.868 0.087 0.000 1.024 208 T HN 0.056 nan 8.240 nan 0.000 0.477 209 D N 1.961 122.368 120.400 0.012 0.000 2.374 209 D HA 0.666 5.305 4.640 -0.002 0.000 0.239 209 D C 0.139 176.524 176.300 0.141 0.000 0.991 209 D CA -0.602 53.427 54.000 0.047 0.000 0.960 209 D CB 2.074 42.868 40.800 -0.010 0.000 1.284 209 D HN 0.815 nan 8.370 nan 0.000 0.512 210 A N 1.909 124.764 122.820 0.059 0.000 2.566 210 A HA 0.363 4.682 4.320 -0.002 0.000 0.245 210 A C 0.024 177.602 177.584 -0.011 0.000 1.056 210 A CA 0.504 52.562 52.037 0.035 0.000 0.757 210 A CB -0.367 18.643 19.000 0.017 0.000 0.979 210 A HN 0.496 nan 8.150 nan 0.000 0.508 211 I N 2.093 122.671 120.570 0.014 0.000 2.582 211 I HA 0.502 4.671 4.170 -0.002 0.000 0.292 211 I C 0.141 176.379 176.117 0.202 0.000 1.066 211 I CA -0.401 60.874 61.300 -0.040 0.000 1.053 211 I CB 2.803 40.692 38.000 -0.185 0.000 1.241 211 I HN 0.803 nan 8.210 nan 0.000 0.421 212 T N 2.914 117.575 114.554 0.178 0.000 2.896 212 T HA 0.675 5.024 4.350 -0.002 0.000 0.297 212 T C -1.134 173.692 174.700 0.211 0.000 1.108 212 T CA -0.774 61.495 62.100 0.280 0.000 1.004 212 T CB 2.220 71.173 68.868 0.141 0.000 1.159 212 T HN 0.315 nan 8.240 nan 0.000 0.499 213 L N 2.029 123.339 121.223 0.146 0.000 2.296 213 L HA 0.570 4.910 4.340 -0.002 0.000 0.286 213 L C -0.580 176.208 176.870 -0.136 0.000 1.023 213 L CA -0.352 54.356 54.840 -0.219 0.000 0.812 213 L CB 1.216 42.989 42.059 -0.476 0.000 1.223 213 L HN 0.848 nan 8.230 nan 0.000 0.421 214 D N 7.336 127.640 120.400 -0.160 0.000 2.346 214 D HA 0.147 4.786 4.640 -0.002 0.000 0.260 214 D C -1.589 174.643 176.300 -0.112 0.000 1.252 214 D CA -1.919 52.026 54.000 -0.092 0.000 0.895 214 D CB 1.356 42.116 40.800 -0.067 0.000 1.097 214 D HN 0.444 nan 8.370 nan 0.000 0.489 215 P HA -0.229 nan 4.420 nan 0.000 0.217 215 P C 0.730 177.995 177.300 -0.059 0.000 1.148 215 P CA 1.385 64.450 63.100 -0.059 0.000 0.828 215 P CB 0.443 32.126 31.700 -0.028 0.000 0.783 216 K N -0.126 120.244 120.400 -0.050 0.000 1.991 216 K HA -0.037 4.282 4.320 -0.002 0.000 0.207 216 K C 2.357 178.927 176.600 -0.051 0.000 1.045 216 K CA 2.082 58.344 56.287 -0.042 0.000 0.937 216 K CB -1.064 31.418 32.500 -0.030 0.000 0.720 216 K HN 0.263 nan 8.250 nan 0.000 0.438 217 T N -2.515 112.003 114.554 -0.060 0.000 3.065 217 T HA 0.179 4.528 4.350 -0.002 0.000 0.252 217 T C 1.560 176.202 174.700 -0.097 0.000 1.099 217 T CA 0.615 62.678 62.100 -0.063 0.000 1.063 217 T CB 0.288 69.127 68.868 -0.049 0.000 0.948 217 T HN 0.441 nan 8.240 nan 0.000 0.506 218 G N 1.652 110.363 108.800 -0.149 0.000 2.220 218 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.269 218 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.269 218 G C 0.180 174.883 174.900 -0.328 0.000 0.977 218 G CA 0.287 45.244 45.100 -0.237 0.000 0.634 218 G HN 0.602 nan 8.290 nan 0.000 0.539 219 K N 0.023 120.301 120.400 -0.204 0.000 2.326 219 K HA 0.482 4.801 4.320 -0.002 0.000 0.275 219 K C 0.219 176.703 176.600 -0.192 0.000 1.018 219 K CA -0.271 55.940 56.287 -0.127 0.000 0.962 219 K CB 0.427 32.911 32.500 -0.028 0.000 0.953 219 K HN 0.116 nan 8.250 nan 0.000 0.475 220 F N 0.490 120.444 119.950 0.006 0.000 2.370 220 F HA 0.302 4.828 4.527 -0.002 0.000 0.319 220 F C 0.445 176.311 175.800 0.110 0.000 1.129 220 F CA -0.493 57.516 58.000 0.014 0.000 1.109 220 F CB 1.122 40.145 39.000 0.038 0.000 1.262 220 F HN 0.016 nan 8.300 nan 0.000 0.534 221 V N 1.138 121.187 119.914 0.224 0.000 2.777 221 V HA 0.356 4.475 4.120 -0.002 0.000 0.306 221 V C -0.866 175.090 176.094 -0.229 0.000 1.112 221 V CA -1.030 61.295 62.300 0.041 0.000 0.917 221 V CB 2.000 33.846 31.823 0.039 0.000 1.018 221 V HN 0.804 nan 8.190 nan 0.000 0.426 222 S N 3.463 118.895 115.700 -0.447 0.000 2.578 222 S HA 0.588 5.057 4.470 -0.002 0.000 0.283 222 S C -0.353 174.139 174.600 -0.180 0.000 1.195 222 S CA -0.773 57.117 58.200 -0.517 0.000 1.050 222 S CB 1.479 64.210 63.200 -0.782 0.000 1.012 222 S HN 0.707 nan 8.310 nan 0.000 0.511 223 K N 0.913 121.245 120.400 -0.113 0.000 2.451 223 K HA 0.035 4.354 4.320 -0.002 0.000 0.280 223 K C -0.944 175.644 176.600 -0.021 0.000 1.020 223 K CA -0.070 56.192 56.287 -0.041 0.000 1.008 223 K CB 0.087 32.577 32.500 -0.017 0.000 0.917 223 K HN 0.586 nan 8.250 nan 0.000 0.478 224 D N 3.441 123.837 120.400 -0.006 0.000 2.312 224 D HA 0.133 4.772 4.640 -0.002 0.000 0.252 224 D C -0.360 175.936 176.300 -0.006 0.000 1.150 224 D CA 0.096 54.099 54.000 0.004 0.000 0.870 224 D CB 0.738 41.545 40.800 0.013 0.000 1.153 224 D HN 0.234 nan 8.370 nan 0.000 0.457 225 R N 3.125 123.615 120.500 -0.016 0.000 2.288 225 R HA 0.284 4.623 4.340 -0.002 0.000 0.326 225 R C -0.036 176.211 176.300 -0.088 0.000 0.959 225 R CA -0.785 55.294 56.100 -0.036 0.000 0.834 225 R CB 0.964 31.248 30.300 -0.026 0.000 1.157 225 R HN 0.374 nan 8.270 nan 0.000 0.470 226 M N 2.891 122.434 119.600 -0.095 0.000 2.245 226 M HA 0.127 4.607 4.480 -0.002 0.000 0.344 226 M C 0.445 176.599 176.300 -0.242 0.000 1.170 226 M CA -0.016 55.180 55.300 -0.173 0.000 1.135 226 M CB 0.432 32.958 32.600 -0.123 0.000 1.574 226 M HN 0.338 nan 8.290 nan 0.000 0.452 227 V N -0.058 119.590 119.914 -0.442 0.000 2.888 227 V HA 0.929 5.048 4.120 -0.002 0.000 0.309 227 V C -0.463 175.335 176.094 -0.493 0.000 1.114 227 V CA -1.368 60.682 62.300 -0.416 0.000 0.940 227 V CB 1.350 32.921 31.823 -0.420 0.000 1.021 227 V HN 0.959 nan 8.190 nan 0.000 0.426 228 A N 2.883 125.584 122.820 -0.199 0.000 2.327 228 A HA 0.762 5.081 4.320 -0.002 0.000 0.283 228 A C -0.067 177.642 177.584 0.208 0.000 1.127 228 A CA -0.120 51.869 52.037 -0.079 0.000 0.810 228 A CB 0.424 19.505 19.000 0.135 0.000 1.066 228 A HN 1.208 nan 8.150 nan 0.000 0.492 229 D N 0.719 121.293 120.400 0.291 0.000 2.432 229 D HA 0.202 4.841 4.640 -0.002 0.000 0.258 229 D C 0.797 177.115 176.300 0.030 0.000 1.146 229 D CA -0.755 53.439 54.000 0.323 0.000 1.015 229 D CB 0.104 41.100 40.800 0.327 0.000 1.107 229 D HN 0.336 nan 8.370 nan 0.000 0.529 230 F N 0.546 120.115 119.950 -0.635 0.000 2.043 230 F HA -0.264 4.262 4.527 -0.001 0.000 0.297 230 F C 2.091 177.681 175.800 -0.351 0.000 1.118 230 F CA 1.957 59.379 58.000 -0.963 0.000 1.202 230 F CB -0.039 38.212 39.000 -1.248 0.000 0.965 230 F HN 0.235 nan 8.300 nan 0.000 0.482 231 E N -0.212 119.931 120.200 -0.095 0.000 2.048 231 E HA -0.325 4.024 4.350 -0.002 0.000 0.202 231 E C 2.111 178.626 176.600 -0.143 0.000 1.021 231 E CA 2.020 58.358 56.400 -0.102 0.000 0.825 231 E CB -1.289 28.438 29.700 0.045 0.000 0.756 231 E HN 0.670 nan 8.360 nan 0.000 0.454 232 Y N 0.810 121.038 120.300 -0.120 0.000 2.193 232 Y HA -0.283 4.266 4.550 -0.001 0.000 0.285 232 Y C 2.238 178.065 175.900 -0.122 0.000 1.166 232 Y CA 1.982 60.038 58.100 -0.075 0.000 1.181 232 Y CB -0.250 38.216 38.460 0.009 0.000 0.976 232 Y HN 0.073 nan 8.280 nan 0.000 0.520 233 A N -0.542 122.280 122.820 0.004 0.000 1.897 233 A HA -0.134 4.185 4.320 -0.002 0.000 0.215 233 A C 2.112 179.554 177.584 -0.236 0.000 1.181 233 A CA 1.915 53.923 52.037 -0.050 0.000 0.620 233 A CB -1.420 17.623 19.000 0.072 0.000 0.821 233 A HN 0.467 nan 8.150 nan 0.000 0.443 234 V N -1.936 117.688 119.914 -0.483 0.000 3.444 234 V HA -0.003 4.116 4.120 -0.002 0.000 0.271 234 V C 1.548 177.478 176.094 -0.274 0.000 1.188 234 V CA 1.844 63.885 62.300 -0.432 0.000 1.168 234 V CB -1.409 30.018 31.823 -0.659 0.000 0.810 234 V HN 0.677 nan 8.190 nan 0.000 0.500 235 T N -3.919 110.476 114.554 -0.266 0.000 3.132 235 T HA 0.465 4.814 4.350 -0.002 0.000 0.274 235 T C 1.481 176.035 174.700 -0.243 0.000 1.011 235 T CA 0.519 62.487 62.100 -0.221 0.000 0.899 235 T CB 0.217 68.960 68.868 -0.209 0.000 1.089 235 T HN 1.425 nan 8.240 nan 0.000 0.543 236 G N 1.039 109.690 108.800 -0.249 0.000 2.203 236 G HA2 0.081 4.040 3.960 -0.002 0.000 0.263 236 G HA3 0.081 4.040 3.960 -0.002 0.000 0.263 236 G C 1.139 175.804 174.900 -0.392 0.000 1.012 236 G CA 0.450 45.408 45.100 -0.236 0.000 0.749 236 G HN 1.883 nan 8.290 nan 0.000 0.512 237 G N -1.370 106.978 108.800 -0.753 0.000 2.157 237 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.248 237 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.248 237 G C 0.753 175.286 174.900 -0.612 0.000 0.979 237 G CA 1.137 45.444 45.100 -1.320 0.000 0.650 237 G HN 0.759 nan 8.290 nan 0.000 0.529 238 E N -0.467 119.519 120.200 -0.356 0.000 2.285 238 E HA 0.098 4.447 4.350 -0.002 0.000 0.194 238 E C 1.390 177.914 176.600 -0.127 0.000 0.997 238 E CA 0.828 57.122 56.400 -0.177 0.000 0.845 238 E CB 0.206 29.831 29.700 -0.125 0.000 0.782 238 E HN 0.699 nan 8.360 nan 0.000 0.491 239 Q N -1.714 117.990 119.800 -0.160 0.000 2.991 239 Q HA 0.497 4.836 4.340 -0.002 0.000 0.322 239 Q C -0.266 175.746 176.000 0.021 0.000 0.978 239 Q CA -0.226 55.546 55.803 -0.051 0.000 0.787 239 Q CB 2.268 30.978 28.738 -0.047 0.000 1.492 239 Q HN 0.158 nan 8.270 nan 0.000 0.498 240 G N 0.290 109.147 108.800 0.095 0.000 2.741 240 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.222 240 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.222 240 G C -0.899 174.194 174.900 0.322 0.000 1.364 240 G CA -0.268 44.950 45.100 0.196 0.000 0.866 240 G HN 0.740 nan 8.290 nan 0.000 0.555 241 S N -1.231 114.642 115.700 0.288 0.000 2.568 241 S HA 0.746 5.215 4.470 -0.002 0.000 0.293 241 S C -0.909 173.678 174.600 -0.022 0.000 1.089 241 S CA -0.638 57.668 58.200 0.178 0.000 0.945 241 S CB 2.322 65.591 63.200 0.115 0.000 1.077 241 S HN 1.625 nan 8.310 nan 0.000 0.485 242 L N 2.959 124.102 121.223 -0.133 0.000 2.377 242 L HA 0.761 5.100 4.340 -0.002 0.000 0.270 242 L C -1.516 175.357 176.870 0.006 0.000 0.991 242 L CA -0.483 54.149 54.840 -0.346 0.000 0.851 242 L CB 0.306 41.984 42.059 -0.634 0.000 1.218 242 L HN 0.746 nan 8.230 nan 0.000 0.420 243 F N 3.005 122.873 119.950 -0.135 0.000 2.706 243 F HA 0.968 5.494 4.527 -0.002 0.000 0.328 243 F C -0.242 175.537 175.800 -0.036 0.000 1.123 243 F CA -1.334 56.629 58.000 -0.062 0.000 0.978 243 F CB 0.669 39.648 39.000 -0.035 0.000 1.404 243 F HN 0.474 nan 8.300 nan 0.000 0.497 244 A N 1.137 123.976 122.820 0.031 0.000 2.366 244 A HA 0.734 5.053 4.320 -0.002 0.000 0.272 244 A C 0.248 177.836 177.584 0.008 0.000 1.135 244 A CA -0.064 51.951 52.037 -0.036 0.000 0.804 244 A CB -0.416 18.611 19.000 0.045 0.000 1.064 244 A HN 1.386 nan 8.150 nan 0.000 0.499 245 A N 2.040 124.807 122.820 -0.090 0.000 2.346 245 A HA 0.536 4.855 4.320 -0.002 0.000 0.255 245 A C 0.765 178.401 177.584 0.085 0.000 1.113 245 A CA 0.417 52.455 52.037 0.003 0.000 0.798 245 A CB 0.102 19.080 19.000 -0.035 0.000 1.073 245 A HN 1.425 nan 8.150 nan 0.000 0.502 246 S N -1.036 114.731 115.700 0.113 0.000 2.474 246 S HA 0.362 4.831 4.470 -0.002 0.000 0.321 246 S C 0.311 174.998 174.600 0.146 0.000 1.080 246 S CA -0.657 57.618 58.200 0.126 0.000 1.106 246 S CB 0.394 63.667 63.200 0.122 0.000 0.984 246 S HN 0.550 nan 8.310 nan 0.000 0.464 247 K N 2.582 123.090 120.400 0.180 0.000 2.458 247 K HA 0.074 4.393 4.320 -0.002 0.000 0.194 247 K C 0.313 177.090 176.600 0.294 0.000 1.024 247 K CA -0.068 56.370 56.287 0.251 0.000 1.108 247 K CB 0.124 32.795 32.500 0.284 0.000 0.846 247 K HN 0.643 nan 8.250 nan 0.000 0.518 248 D N 0.713 121.236 120.400 0.204 0.000 2.417 248 D HA -0.014 4.625 4.640 -0.002 0.000 0.250 248 D C 0.083 176.431 176.300 0.080 0.000 1.166 248 D CA 0.089 54.162 54.000 0.121 0.000 0.881 248 D CB 1.221 42.072 40.800 0.085 0.000 1.164 248 D HN 0.175 nan 8.370 nan 0.000 0.467 249 A N 3.240 126.058 122.820 -0.003 0.000 2.423 249 A HA 0.098 4.417 4.320 -0.002 0.000 0.246 249 A C 1.933 179.494 177.584 -0.038 0.000 1.278 249 A CA -0.201 51.835 52.037 -0.002 0.000 0.903 249 A CB 0.183 19.171 19.000 -0.020 0.000 0.997 249 A HN 0.538 nan 8.150 nan 0.000 0.510 250 S N 1.201 116.880 115.700 -0.036 0.000 2.370 250 S HA -0.235 4.234 4.470 -0.002 0.000 0.226 250 S C 2.137 176.732 174.600 -0.009 0.000 1.033 250 S CA 1.563 59.742 58.200 -0.035 0.000 1.011 250 S CB -0.413 62.772 63.200 -0.026 0.000 0.852 250 S HN 0.879 nan 8.310 nan 0.000 0.457 251 R N 1.761 122.275 120.500 0.023 0.000 2.226 251 R HA -0.122 4.217 4.340 -0.002 0.000 0.246 251 R C 1.798 178.144 176.300 0.077 0.000 1.161 251 R CA 1.398 57.527 56.100 0.048 0.000 0.997 251 R CB -1.028 29.322 30.300 0.084 0.000 0.870 251 R HN 0.367 nan 8.270 nan 0.000 0.465 252 L N 0.615 121.878 121.223 0.067 0.000 2.201 252 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 252 L C 2.623 179.537 176.870 0.073 0.000 1.105 252 L CA 1.449 56.349 54.840 0.102 0.000 0.775 252 L CB -0.469 41.475 42.059 -0.192 0.000 0.913 252 L HN 0.208 nan 8.230 nan 0.000 0.440 253 K N 1.047 121.446 120.400 -0.001 0.000 1.991 253 K HA -0.210 4.109 4.320 -0.002 0.000 0.207 253 K C 2.046 178.639 176.600 -0.012 0.000 1.045 253 K CA 1.538 57.816 56.287 -0.014 0.000 0.937 253 K CB -0.202 32.278 32.500 -0.034 0.000 0.720 253 K HN 0.192 nan 8.250 nan 0.000 0.438 254 E N -0.135 120.051 120.200 -0.024 0.000 2.265 254 E HA -0.206 4.143 4.350 -0.002 0.000 0.196 254 E C 1.570 178.111 176.600 -0.099 0.000 0.996 254 E CA 1.106 57.478 56.400 -0.047 0.000 0.832 254 E CB 0.148 29.825 29.700 -0.038 0.000 0.756 254 E HN 0.509 nan 8.360 nan 0.000 0.491 255 Q N -1.522 118.190 119.800 -0.147 0.000 2.373 255 Q HA -0.010 4.329 4.340 -0.002 0.000 0.210 255 Q C 0.501 176.074 176.000 -0.711 0.000 0.913 255 Q CA 0.582 56.119 55.803 -0.443 0.000 0.911 255 Q CB 0.496 28.883 28.738 -0.586 0.000 1.040 255 Q HN 0.372 nan 8.270 nan 0.000 0.521 256 Y N -1.284 119.029 120.300 0.020 0.000 2.563 256 Y HA 0.339 4.888 4.550 -0.002 0.000 0.250 256 Y C 1.060 176.960 175.900 -0.000 0.000 1.126 256 Y CA -0.019 58.100 58.100 0.032 0.000 1.231 256 Y CB 1.244 39.740 38.460 0.059 0.000 1.288 256 Y HN 0.101 nan 8.280 nan 0.000 0.537 257 G N 1.736 110.577 108.800 0.067 0.000 2.249 257 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.273 257 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.273 257 G C -0.058 174.858 174.900 0.027 0.000 1.036 257 G CA 0.198 45.316 45.100 0.030 0.000 0.824 257 G HN 0.378 nan 8.290 nan 0.000 0.504 258 I N 0.831 121.416 120.570 0.025 0.000 2.312 258 I HA 0.175 4.344 4.170 -0.002 0.000 0.291 258 I C -0.272 175.796 176.117 -0.081 0.000 1.031 258 I CA -0.730 60.545 61.300 -0.043 0.000 1.293 258 I CB 0.828 38.752 38.000 -0.126 0.000 1.403 258 I HN -0.059 nan 8.210 nan 0.000 0.484 259 D N 6.215 126.564 120.400 -0.085 0.000 2.382 259 D HA 0.130 4.769 4.640 -0.002 0.000 0.259 259 D C -0.369 175.841 176.300 -0.149 0.000 1.224 259 D CA 0.256 54.196 54.000 -0.100 0.000 0.894 259 D CB 0.995 41.738 40.800 -0.094 0.000 1.127 259 D HN 0.068 nan 8.370 nan 0.000 0.487 260 V N 5.700 125.527 119.914 -0.145 0.000 2.333 260 V HA 0.294 4.413 4.120 -0.002 0.000 0.274 260 V C -1.672 174.314 176.094 -0.180 0.000 1.028 260 V CA -1.522 60.669 62.300 -0.182 0.000 0.851 260 V CB 0.883 32.620 31.823 -0.144 0.000 1.000 260 V HN 0.500 nan 8.190 nan 0.000 0.456 261 P HA 0.153 nan 4.420 nan 0.000 0.269 261 P C -0.345 176.953 177.300 -0.003 0.000 1.209 261 P CA -0.291 62.687 63.100 -0.203 0.000 0.776 261 P CB 0.763 32.186 31.700 -0.462 0.000 0.876 262 D N 0.647 121.066 120.400 0.030 0.000 2.506 262 D HA 0.269 4.909 4.640 -0.002 0.000 0.234 262 D C 1.429 177.805 176.300 0.126 0.000 1.143 262 D CA 2.091 56.125 54.000 0.057 0.000 0.871 262 D CB -0.204 40.642 40.800 0.077 0.000 1.190 262 D HN 0.707 nan 8.370 nan 0.000 0.459 263 G N 1.231 110.026 108.800 -0.008 0.000 2.176 263 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.252 263 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.252 263 G C -0.186 174.419 174.900 -0.491 0.000 1.024 263 G CA -0.359 44.657 45.100 -0.140 0.000 0.755 263 G HN 0.332 nan 8.290 nan 0.000 0.507 264 F N -0.937 118.655 119.950 -0.596 0.000 2.522 264 F HA 0.868 5.394 4.527 -0.002 0.000 0.324 264 F C 0.259 175.636 175.800 -0.704 0.000 1.077 264 F CA -1.192 56.562 58.000 -0.410 0.000 0.944 264 F CB 1.525 40.375 39.000 -0.249 0.000 1.175 264 F HN -0.018 nan 8.300 nan 0.000 0.468 265 F N -0.140 119.778 119.950 -0.054 0.000 2.650 265 F HA 0.526 5.052 4.527 -0.001 0.000 0.320 265 F C -0.403 175.516 175.800 0.199 0.000 1.091 265 F CA -1.348 56.674 58.000 0.037 0.000 0.962 265 F CB 0.797 39.768 39.000 -0.048 0.000 1.363 265 F HN 0.250 nan 8.300 nan 0.000 0.482 266 C N 1.231 120.779 119.300 0.414 0.000 2.605 266 C HA 0.276 4.735 4.460 -0.002 0.000 0.404 266 C C 0.616 175.832 174.990 0.378 0.000 1.284 266 C CA -0.614 58.621 59.018 0.361 0.000 2.199 266 C CB -0.162 27.750 27.740 0.285 0.000 2.647 266 C HN 0.693 nan 8.230 nan 0.000 0.604 267 E N 0.848 121.198 120.200 0.250 0.000 2.408 267 E HA 0.140 4.489 4.350 -0.002 0.000 0.259 267 E C 0.297 176.909 176.600 0.020 0.000 1.110 267 E CA -0.032 56.393 56.400 0.041 0.000 0.929 267 E CB 0.493 30.185 29.700 -0.013 0.000 0.971 267 E HN 0.539 nan 8.360 nan 0.000 0.438 268 R N 1.871 122.327 120.500 -0.074 0.000 2.404 268 R HA 0.268 4.607 4.340 -0.002 0.000 0.291 268 R C -0.569 175.713 176.300 -0.029 0.000 1.025 268 R CA -0.390 55.692 56.100 -0.030 0.000 0.991 268 R CB 0.803 31.074 30.300 -0.048 0.000 1.053 268 R HN 0.416 nan 8.270 nan 0.000 0.479 269 R N 3.531 124.031 120.500 0.000 0.000 2.437 269 R HA 0.321 4.660 4.340 -0.002 0.000 0.310 269 R C -0.554 175.790 176.300 0.072 0.000 0.955 269 R CA -0.875 55.240 56.100 0.026 0.000 0.851 269 R CB 1.964 32.285 30.300 0.034 0.000 1.161 269 R HN 0.583 nan 8.270 nan 0.000 0.446 270 R N 0.735 121.269 120.500 0.056 0.000 2.349 270 R HA 0.142 4.481 4.340 -0.002 0.000 0.299 270 R C 0.092 176.417 176.300 0.042 0.000 1.027 270 R CA -0.280 55.846 56.100 0.045 0.000 0.958 270 R CB 1.690 31.992 30.300 0.003 0.000 1.047 270 R HN 0.408 nan 8.270 nan 0.000 0.468 271 T N 1.138 115.690 114.554 -0.004 0.000 2.814 271 T HA 0.454 4.803 4.350 -0.002 0.000 0.297 271 T C -0.512 174.062 174.700 -0.210 0.000 0.956 271 T CA -0.396 61.578 62.100 -0.209 0.000 1.123 271 T CB 0.568 69.331 68.868 -0.176 0.000 0.902 271 T HN 0.624 nan 8.240 nan 0.000 0.528 272 A N 5.801 128.454 122.820 -0.278 0.000 2.386 272 A HA 0.782 5.101 4.320 -0.002 0.000 0.311 272 A C -0.427 177.053 177.584 -0.173 0.000 1.068 272 A CA -0.915 51.022 52.037 -0.167 0.000 0.743 272 A CB 1.370 20.316 19.000 -0.090 0.000 1.258 272 A HN 0.873 nan 8.150 nan 0.000 0.429 273 M N 2.479 122.006 119.600 -0.122 0.000 2.078 273 M HA 0.393 4.872 4.480 -0.002 0.000 0.320 273 M C 0.453 176.817 176.300 0.106 0.000 0.969 273 M CA -0.210 55.055 55.300 -0.058 0.000 0.929 273 M CB 1.921 34.393 32.600 -0.214 0.000 1.504 273 M HN 0.842 nan 8.290 nan 0.000 0.419 274 G N 2.103 111.026 108.800 0.205 0.000 2.355 274 G HA2 0.545 4.504 3.960 -0.002 0.000 0.276 274 G HA3 0.545 4.504 3.960 -0.002 0.000 0.276 274 G C 0.148 175.213 174.900 0.275 0.000 1.198 274 G CA -0.426 44.809 45.100 0.226 0.000 0.876 274 G HN 0.802 nan 8.290 nan 0.000 0.478 275 G N 1.886 110.821 108.800 0.224 0.000 2.562 275 G HA2 0.605 4.564 3.960 -0.002 0.000 0.275 275 G HA3 0.605 4.564 3.960 -0.002 0.000 0.275 275 G C -2.367 172.456 174.900 -0.127 0.000 1.196 275 G CA -1.208 43.888 45.100 -0.008 0.000 0.908 275 G HN 0.498 nan 8.290 nan 0.000 0.524 276 P HA 0.094 nan 4.420 nan 0.000 0.280 276 P C 0.479 177.752 177.300 -0.045 0.000 1.386 276 P CA -0.519 62.463 63.100 -0.196 0.000 0.899 276 P CB 0.809 32.356 31.700 -0.255 0.000 1.098 277 F N 4.924 124.783 119.950 -0.153 0.000 2.063 277 F HA -0.348 4.178 4.527 -0.001 0.000 0.297 277 F C 2.349 178.114 175.800 -0.058 0.000 1.099 277 F CA 2.308 60.258 58.000 -0.084 0.000 1.220 277 F CB -1.136 37.826 39.000 -0.063 0.000 0.972 277 F HN 0.382 nan 8.300 nan 0.000 0.487 278 A N -0.284 122.514 122.820 -0.037 0.000 1.940 278 A HA -0.261 4.058 4.320 -0.002 0.000 0.221 278 A C 2.137 179.633 177.584 -0.146 0.000 1.190 278 A CA 2.185 54.155 52.037 -0.110 0.000 0.647 278 A CB -1.261 17.725 19.000 -0.024 0.000 0.821 278 A HN 0.500 nan 8.150 nan 0.000 0.457 279 L N -0.299 120.859 121.223 -0.109 0.000 2.209 279 L HA 0.065 4.404 4.340 -0.002 0.000 0.207 279 L C 1.621 178.433 176.870 -0.097 0.000 1.094 279 L CA 1.974 56.758 54.840 -0.092 0.000 0.790 279 L CB -0.831 41.169 42.059 -0.098 0.000 0.932 279 L HN 0.453 nan 8.230 nan 0.000 0.447 280 N N -0.601 118.034 118.700 -0.109 0.000 2.354 280 N HA -0.049 4.690 4.740 -0.002 0.000 0.179 280 N C 1.841 177.297 175.510 -0.090 0.000 1.021 280 N CA 0.703 53.724 53.050 -0.048 0.000 0.887 280 N CB -0.039 38.474 38.487 0.043 0.000 0.974 280 N HN 0.475 nan 8.380 nan 0.000 0.437 281 A N 2.630 125.267 122.820 -0.306 0.000 1.841 281 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 281 A C -0.280 177.218 177.584 -0.143 0.000 1.199 281 A CA 1.352 53.179 52.037 -0.351 0.000 0.621 281 A CB -1.631 17.006 19.000 -0.605 0.000 0.835 281 A HN 0.175 nan 8.150 nan 0.000 0.445 282 P HA -0.166 nan 4.420 nan 0.000 0.218 282 P C 1.449 179.086 177.300 0.562 0.000 1.146 282 P CA 1.251 64.418 63.100 0.113 0.000 0.813 282 P CB -0.189 31.692 31.700 0.302 0.000 0.778 283 I N -1.298 119.491 120.570 0.365 0.000 2.277 283 I HA -0.164 4.005 4.170 -0.002 0.000 0.243 283 I C 2.759 179.132 176.117 0.427 0.000 1.094 283 I CA 1.197 62.804 61.300 0.511 0.000 1.393 283 I CB -0.548 37.629 38.000 0.295 0.000 1.078 283 I HN -0.170 nan 8.210 nan 0.000 0.417 284 M N 0.540 120.278 119.600 0.230 0.000 2.108 284 M HA -0.224 4.255 4.480 -0.002 0.000 0.261 284 M C 2.501 178.900 176.300 0.165 0.000 1.066 284 M CA 2.071 57.471 55.300 0.167 0.000 1.107 284 M CB -0.613 32.047 32.600 0.100 0.000 1.356 284 M HN 0.298 nan 8.290 nan 0.000 0.406 285 A N -0.367 122.555 122.820 0.170 0.000 2.084 285 A HA -0.110 4.209 4.320 -0.002 0.000 0.221 285 A C 2.131 179.834 177.584 0.199 0.000 1.161 285 A CA 1.839 53.984 52.037 0.179 0.000 0.653 285 A CB -0.776 18.346 19.000 0.203 0.000 0.802 285 A HN 0.376 nan 8.150 nan 0.000 0.457 286 V N -1.570 118.488 119.914 0.239 0.000 3.085 286 V HA 0.062 4.181 4.120 -0.002 0.000 0.245 286 V C 2.809 178.925 176.094 0.035 0.000 1.114 286 V CA 0.981 63.341 62.300 0.100 0.000 1.108 286 V CB -0.740 31.117 31.823 0.057 0.000 0.798 286 V HN 0.556 nan 8.190 nan 0.000 0.471 287 A N 0.189 123.079 122.820 0.116 0.000 1.851 287 A HA -0.328 3.991 4.320 -0.002 0.000 0.216 287 A C 2.160 179.717 177.584 -0.046 0.000 1.195 287 A CA 2.515 54.575 52.037 0.038 0.000 0.622 287 A CB -0.655 18.415 19.000 0.118 0.000 0.831 287 A HN 0.480 nan 8.150 nan 0.000 0.444 288 Q N 0.054 119.855 119.800 0.001 0.000 2.135 288 Q HA -0.086 4.253 4.340 -0.002 0.000 0.204 288 Q C -0.683 175.280 176.000 -0.062 0.000 0.981 288 Q CA 2.368 58.161 55.803 -0.018 0.000 0.856 288 Q CB -1.241 27.506 28.738 0.016 0.000 0.902 288 Q HN 0.487 nan 8.270 nan 0.000 0.425 289 P HA -0.118 nan 4.420 nan 0.000 0.216 289 P C 1.229 178.433 177.300 -0.159 0.000 1.153 289 P CA 1.074 64.121 63.100 -0.088 0.000 0.848 289 P CB -0.002 31.656 31.700 -0.070 0.000 0.787 290 V N 0.127 119.899 119.914 -0.236 0.000 2.332 290 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 290 V C 2.421 178.295 176.094 -0.367 0.000 1.055 290 V CA 1.839 63.917 62.300 -0.371 0.000 1.038 290 V CB -0.994 30.468 31.823 -0.601 0.000 0.651 290 V HN 0.090 nan 8.190 nan 0.000 0.450 291 R N 0.235 120.532 120.500 -0.338 0.000 2.105 291 R HA -0.153 4.186 4.340 -0.002 0.000 0.239 291 R C 2.162 178.206 176.300 -0.427 0.000 1.135 291 R CA 1.598 57.395 56.100 -0.504 0.000 0.967 291 R CB -0.478 29.677 30.300 -0.242 0.000 0.861 291 R HN 0.550 nan 8.270 nan 0.000 0.442 292 N N 0.933 119.526 118.700 -0.178 0.000 2.188 292 N HA -0.158 4.581 4.740 -0.002 0.000 0.184 292 N C 1.598 177.046 175.510 -0.103 0.000 1.018 292 N CA 1.081 54.083 53.050 -0.079 0.000 0.858 292 N CB -0.093 38.363 38.487 -0.051 0.000 0.989 292 N HN 0.268 nan 8.380 nan 0.000 0.426 293 K N 1.522 121.836 120.400 -0.145 0.000 2.001 293 K HA -0.048 4.271 4.320 -0.002 0.000 0.208 293 K C 2.183 178.721 176.600 -0.102 0.000 1.048 293 K CA 1.057 57.278 56.287 -0.111 0.000 0.932 293 K CB -0.159 32.288 32.500 -0.089 0.000 0.715 293 K HN 0.240 nan 8.250 nan 0.000 0.437 294 I N -1.627 118.839 120.570 -0.173 0.000 2.361 294 I HA -0.210 3.959 4.170 -0.002 0.000 0.251 294 I C 1.434 177.542 176.117 -0.014 0.000 1.133 294 I CA 1.213 62.466 61.300 -0.078 0.000 1.413 294 I CB -0.512 37.240 38.000 -0.414 0.000 1.073 294 I HN 0.067 nan 8.210 nan 0.000 0.424 295 Y N 2.105 122.351 120.300 -0.089 0.000 2.439 295 Y HA -0.110 4.439 4.550 -0.001 0.000 0.292 295 Y C 3.026 178.862 175.900 -0.106 0.000 1.130 295 Y CA 0.642 58.633 58.100 -0.180 0.000 1.254 295 Y CB -0.814 37.390 38.460 -0.427 0.000 1.000 295 Y HN 0.516 nan 8.280 nan 0.000 0.554 296 S N -0.205 115.536 115.700 0.068 0.000 2.339 296 S HA -0.086 4.383 4.470 -0.002 0.000 0.189 296 S C 2.082 176.676 174.600 -0.010 0.000 0.966 296 S CA 0.695 58.917 58.200 0.037 0.000 0.925 296 S CB -0.589 62.605 63.200 -0.011 0.000 0.890 296 S HN 0.249 nan 8.310 nan 0.000 0.539 297 K N 0.179 120.502 120.400 -0.130 0.000 2.074 297 K HA -0.138 4.181 4.320 -0.002 0.000 0.209 297 K C 0.292 176.681 176.600 -0.351 0.000 1.048 297 K CA 1.540 57.635 56.287 -0.320 0.000 0.926 297 K CB -0.334 31.811 32.500 -0.591 0.000 0.713 297 K HN 0.611 nan 8.250 nan 0.000 0.444 298 Y N -0.256 120.119 120.300 0.125 0.000 2.781 298 Y HA 0.389 4.939 4.550 -0.002 0.000 0.326 298 Y C 1.020 176.974 175.900 0.090 0.000 1.019 298 Y CA -0.356 57.823 58.100 0.131 0.000 1.372 298 Y CB 0.216 38.805 38.460 0.215 0.000 1.260 298 Y HN 0.111 nan 8.280 nan 0.000 0.546 299 A N -0.694 122.233 122.820 0.179 0.000 2.070 299 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 299 A C 1.892 179.504 177.584 0.046 0.000 1.159 299 A CA 1.314 53.442 52.037 0.152 0.000 0.656 299 A CB -0.755 18.333 19.000 0.148 0.000 0.800 299 A HN 0.695 nan 8.150 nan 0.000 0.453 300 Y N 1.450 121.719 120.300 -0.050 0.000 2.070 300 Y HA -0.269 4.281 4.550 -0.001 0.000 0.280 300 Y C 2.892 178.717 175.900 -0.125 0.000 1.148 300 Y CA 2.791 60.835 58.100 -0.093 0.000 1.125 300 Y CB -0.332 38.052 38.460 -0.126 0.000 0.975 300 Y HN 0.415 nan 8.280 nan 0.000 0.492 301 T N -2.937 111.514 114.554 -0.172 0.000 3.067 301 T HA 0.008 4.357 4.350 -0.002 0.000 0.257 301 T C 1.152 175.559 174.700 -0.488 0.000 1.105 301 T CA 0.743 62.578 62.100 -0.440 0.000 1.104 301 T CB -0.696 67.730 68.868 -0.737 0.000 0.925 301 T HN 0.338 nan 8.240 nan 0.000 0.498 302 F N -0.166 119.794 119.950 0.017 0.000 2.724 302 F HA 0.392 4.918 4.527 -0.002 0.000 0.306 302 F C 1.091 176.811 175.800 -0.132 0.000 1.100 302 F CA -0.886 57.158 58.000 0.073 0.000 1.255 302 F CB 0.387 39.388 39.000 0.001 0.000 1.072 302 F HN 0.275 nan 8.300 nan 0.000 0.589 303 H N 1.737 120.535 119.070 -0.452 0.000 2.661 303 H HA 0.277 4.832 4.556 -0.002 0.000 0.290 303 H C -0.818 174.030 175.328 -0.801 0.000 1.082 303 H CA -0.553 55.199 56.048 -0.493 0.000 1.234 303 H CB 0.127 29.775 29.762 -0.190 0.000 1.387 303 H HN 0.058 nan 8.280 nan 0.000 0.476 304 H N 3.851 122.968 119.070 0.079 0.000 2.529 304 H HA 0.280 4.835 4.556 -0.002 0.000 0.348 304 H C -0.654 174.559 175.328 -0.191 0.000 1.079 304 H CA -0.856 55.122 56.048 -0.117 0.000 1.198 304 H CB 1.938 31.647 29.762 -0.088 0.000 1.521 304 H HN 0.674 nan 8.280 nan 0.000 0.514 305 T N -0.449 113.997 114.554 -0.180 0.000 4.328 305 T HA 0.370 4.719 4.350 -0.002 0.000 0.356 305 T C -0.854 173.733 174.700 -0.190 0.000 0.889 305 T CA -0.789 61.197 62.100 -0.190 0.000 0.998 305 T CB 0.577 69.319 68.868 -0.210 0.000 1.122 305 T HN 0.744 nan 8.240 nan 0.000 0.467 306 T N 2.019 116.471 114.554 -0.170 0.000 1.959 306 T HA -0.027 4.322 4.350 -0.002 0.000 0.656 306 T C 1.100 175.720 174.700 -0.134 0.000 0.981 306 T CA -0.738 61.276 62.100 -0.144 0.000 3.169 306 T CB -0.175 68.615 68.868 -0.130 0.000 1.986 306 T HN 0.794 nan 8.240 nan 0.000 0.414 307 R N 0.888 121.316 120.500 -0.119 0.000 2.103 307 R HA -0.137 4.202 4.340 -0.002 0.000 0.242 307 R C 2.451 178.763 176.300 0.020 0.000 1.142 307 R CA 1.801 57.866 56.100 -0.059 0.000 0.960 307 R CB -0.285 30.007 30.300 -0.014 0.000 0.858 307 R HN 0.552 nan 8.270 nan 0.000 0.439 308 L N 1.617 122.825 121.223 -0.024 0.000 2.012 308 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 308 L C 2.044 178.896 176.870 -0.030 0.000 1.073 308 L CA 2.011 56.839 54.840 -0.021 0.000 0.748 308 L CB -0.693 41.340 42.059 -0.044 0.000 0.891 308 L HN 0.132 nan 8.230 nan 0.000 0.431 309 N N -0.076 118.584 118.700 -0.067 0.000 2.027 309 N HA -0.303 4.437 4.740 -0.002 0.000 0.200 309 N C 1.766 177.235 175.510 -0.069 0.000 1.042 309 N CA 2.518 55.514 53.050 -0.091 0.000 0.871 309 N CB -0.199 38.204 38.487 -0.141 0.000 1.063 309 N HN 0.407 nan 8.380 nan 0.000 0.438 310 K N 0.120 120.494 120.400 -0.044 0.000 1.991 310 K HA -0.199 4.120 4.320 -0.002 0.000 0.212 310 K C 2.117 178.789 176.600 0.120 0.000 1.049 310 K CA 1.616 57.904 56.287 0.002 0.000 0.932 310 K CB -0.413 31.969 32.500 -0.197 0.000 0.717 310 K HN 0.380 nan 8.250 nan 0.000 0.441 311 E N 1.269 121.640 120.200 0.285 0.000 2.086 311 E HA -0.284 4.065 4.350 -0.002 0.000 0.205 311 E C 1.935 178.476 176.600 -0.099 0.000 1.027 311 E CA 1.740 58.193 56.400 0.088 0.000 0.830 311 E CB 0.042 29.765 29.700 0.039 0.000 0.751 311 E HN 0.286 nan 8.360 nan 0.000 0.456 312 E N -0.028 120.127 120.200 -0.074 0.000 2.130 312 E HA -0.228 4.121 4.350 -0.002 0.000 0.196 312 E C 2.133 178.649 176.600 -0.140 0.000 0.998 312 E CA 1.226 57.571 56.400 -0.092 0.000 0.806 312 E CB -0.014 29.650 29.700 -0.060 0.000 0.738 312 E HN 0.266 nan 8.360 nan 0.000 0.459 313 K N 0.353 120.627 120.400 -0.210 0.000 2.031 313 K HA -0.075 4.245 4.320 -0.002 0.000 0.205 313 K C 2.278 178.464 176.600 -0.690 0.000 1.049 313 K CA 0.976 57.065 56.287 -0.330 0.000 0.939 313 K CB -0.158 32.048 32.500 -0.490 0.000 0.717 313 K HN 0.012 nan 8.250 nan 0.000 0.438 314 V N 2.213 121.638 119.914 -0.815 0.000 2.358 314 V HA -0.216 3.903 4.120 -0.002 0.000 0.246 314 V C 2.107 177.838 176.094 -0.605 0.000 1.047 314 V CA 1.621 63.233 62.300 -1.146 0.000 1.035 314 V CB -0.400 30.980 31.823 -0.738 0.000 0.658 314 V HN 0.297 nan 8.190 nan 0.000 0.452 315 K N 0.010 120.206 120.400 -0.341 0.000 2.160 315 K HA -0.246 4.073 4.320 -0.002 0.000 0.206 315 K C 1.965 178.548 176.600 -0.029 0.000 1.047 315 K CA 1.829 58.024 56.287 -0.152 0.000 0.930 315 K CB -0.223 32.204 32.500 -0.121 0.000 0.720 315 K HN 0.602 nan 8.250 nan 0.000 0.450 316 E N -0.474 119.712 120.200 -0.023 0.000 2.333 316 E HA -0.134 4.215 4.350 -0.002 0.000 0.198 316 E C -0.056 176.740 176.600 0.326 0.000 1.007 316 E CA 0.301 56.784 56.400 0.138 0.000 0.845 316 E CB 0.040 29.847 29.700 0.178 0.000 0.766 316 E HN 0.228 nan 8.360 nan 0.000 0.507 317 W N 0.602 121.942 121.300 0.065 0.000 2.251 317 W HA 0.157 4.817 4.660 -0.001 0.000 0.329 317 W C 1.318 177.902 176.519 0.107 0.000 1.234 317 W CA -1.171 56.227 57.345 0.088 0.000 1.228 317 W CB 0.646 30.154 29.460 0.080 0.000 1.135 317 W HN -0.176 nan 8.180 nan 0.000 0.576 318 S N 0.950 116.852 115.700 0.337 0.000 2.446 318 S HA 0.037 4.506 4.470 -0.002 0.000 0.225 318 S C 0.089 174.838 174.600 0.247 0.000 1.016 318 S CA 0.330 58.681 58.200 0.251 0.000 0.943 318 S CB -0.006 63.321 63.200 0.211 0.000 0.786 318 S HN 0.270 nan 8.310 nan 0.000 0.508 319 L N 0.567 121.954 121.223 0.274 0.000 2.464 319 L HA 0.598 4.937 4.340 -0.002 0.000 0.266 319 L C -1.608 175.471 176.870 0.348 0.000 0.965 319 L CA -0.641 54.317 54.840 0.197 0.000 0.833 319 L CB 1.675 43.663 42.059 -0.120 0.000 1.296 319 L HN 0.103 nan 8.230 nan 0.000 0.405 320 C N 5.802 125.294 119.300 0.321 0.000 2.346 320 C HA 0.855 5.314 4.460 -0.002 0.000 0.326 320 C C -0.830 174.225 174.990 0.107 0.000 1.224 320 C CA -0.412 58.850 59.018 0.406 0.000 1.408 320 C CB 0.449 28.511 27.740 0.537 0.000 2.089 320 C HN 0.635 nan 8.230 nan 0.000 0.456 321 V N 5.927 125.851 119.914 0.017 0.000 2.435 321 V HA 0.753 4.872 4.120 -0.002 0.000 0.290 321 V C 0.615 176.687 176.094 -0.037 0.000 1.030 321 V CA -0.207 61.927 62.300 -0.277 0.000 0.881 321 V CB 1.520 33.173 31.823 -0.283 0.000 0.983 321 V HN 1.080 nan 8.190 nan 0.000 0.445 322 A N 3.613 126.448 122.820 0.026 0.000 2.276 322 A HA 0.762 5.081 4.320 -0.002 0.000 0.316 322 A C 0.428 178.095 177.584 0.138 0.000 1.229 322 A CA -0.332 51.763 52.037 0.097 0.000 0.851 322 A CB 0.738 19.842 19.000 0.174 0.000 1.165 322 A HN 0.918 nan 8.150 nan 0.000 0.513 323 T N -0.626 113.981 114.554 0.088 0.000 2.852 323 T HA 0.672 5.021 4.350 -0.002 0.000 0.281 323 T C -0.793 174.019 174.700 0.185 0.000 0.993 323 T CA -0.450 61.749 62.100 0.165 0.000 0.933 323 T CB 1.116 70.097 68.868 0.187 0.000 1.187 323 T HN 0.433 nan 8.240 nan 0.000 0.559 324 D N -0.375 120.156 120.400 0.217 0.000 2.591 324 D HA 0.452 5.091 4.640 -0.002 0.000 0.222 324 D C -1.199 175.220 176.300 0.197 0.000 1.360 324 D CA -0.328 53.778 54.000 0.176 0.000 0.967 324 D CB 1.619 42.476 40.800 0.095 0.000 1.456 324 D HN 0.498 nan 8.370 nan 0.000 0.588 325 V N 1.507 121.552 119.914 0.217 0.000 2.716 325 V HA 0.651 4.770 4.120 -0.002 0.000 0.304 325 V C 0.289 176.492 176.094 0.182 0.000 1.053 325 V CA -0.567 61.857 62.300 0.206 0.000 0.984 325 V CB 1.906 33.882 31.823 0.255 0.000 1.021 325 V HN 0.536 nan 8.190 nan 0.000 0.467 326 S N 1.940 117.736 115.700 0.159 0.000 2.449 326 S HA 0.382 4.851 4.470 -0.002 0.000 0.310 326 S C 0.067 174.857 174.600 0.317 0.000 1.096 326 S CA -0.379 57.933 58.200 0.186 0.000 1.095 326 S CB 0.363 63.644 63.200 0.135 0.000 1.007 326 S HN 0.937 nan 8.310 nan 0.000 0.474 327 D N 3.103 123.679 120.400 0.294 0.000 2.701 327 D HA -0.243 4.396 4.640 -0.002 0.000 0.235 327 D C 0.921 177.457 176.300 0.393 0.000 1.155 327 D CA 1.196 55.381 54.000 0.308 0.000 0.649 327 D CB -1.451 39.531 40.800 0.304 0.000 1.050 327 D HN 0.893 nan 8.370 nan 0.000 0.425 328 H N 0.361 119.585 119.070 0.257 0.000 2.272 328 H HA -0.212 4.343 4.556 -0.002 0.000 0.289 328 H C 1.134 176.613 175.328 0.252 0.000 1.100 328 H CA 2.398 58.598 56.048 0.253 0.000 1.209 328 H CB 0.244 30.118 29.762 0.188 0.000 1.348 328 H HN 0.333 nan 8.280 nan 0.000 0.481 329 D N -0.489 120.035 120.400 0.207 0.000 2.144 329 D HA -0.090 4.549 4.640 -0.002 0.000 0.199 329 D C 2.103 178.411 176.300 0.014 0.000 0.984 329 D CA 1.728 55.766 54.000 0.064 0.000 0.834 329 D CB -0.514 40.319 40.800 0.055 0.000 0.955 329 D HN 0.471 nan 8.370 nan 0.000 0.465 330 T N -0.407 114.148 114.554 0.003 0.000 2.951 330 T HA -0.017 4.332 4.350 -0.002 0.000 0.268 330 T C 1.704 176.307 174.700 -0.163 0.000 1.073 330 T CA 0.427 62.461 62.100 -0.110 0.000 1.134 330 T CB -0.208 68.539 68.868 -0.201 0.000 0.884 330 T HN 0.142 nan 8.240 nan 0.000 0.479 331 F N -0.631 119.319 119.950 -0.001 0.000 2.569 331 F HA 0.273 4.799 4.527 -0.002 0.000 0.295 331 F C 0.816 176.571 175.800 -0.075 0.000 1.115 331 F CA -1.149 56.839 58.000 -0.021 0.000 1.450 331 F CB 0.039 39.035 39.000 -0.007 0.000 1.107 331 F HN 0.129 nan 8.300 nan 0.000 0.563 332 W N 5.516 126.731 121.300 -0.142 0.000 2.551 332 W HA -0.043 4.616 4.660 -0.001 0.000 0.336 332 W C -2.164 174.197 176.519 -0.264 0.000 1.158 332 W CA -1.553 55.621 57.345 -0.284 0.000 1.258 332 W CB -0.030 29.231 29.460 -0.331 0.000 1.157 332 W HN -0.154 nan 8.180 nan 0.000 0.562 333 P HA 0.075 nan 4.420 nan 0.000 0.282 333 P C 0.608 177.330 177.300 -0.964 0.000 1.262 333 P CA 0.370 62.883 63.100 -0.978 0.000 0.773 333 P CB 1.287 31.977 31.700 -1.683 0.000 0.879 334 G N 3.986 112.546 108.800 -0.400 0.000 2.432 334 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.219 334 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.219 334 G C 1.297 176.068 174.900 -0.215 0.000 1.135 334 G CA 0.032 45.023 45.100 -0.182 0.000 0.767 334 G HN 0.724 nan 8.290 nan 0.000 0.550 335 W N 0.270 121.443 121.300 -0.211 0.000 2.374 335 W HA 0.023 4.683 4.660 -0.001 0.000 0.288 335 W C 1.660 178.008 176.519 -0.284 0.000 1.218 335 W CA 0.474 57.697 57.345 -0.203 0.000 1.245 335 W CB -0.942 28.411 29.460 -0.178 0.000 1.126 335 W HN 0.160 nan 8.180 nan 0.000 0.545 336 L N 2.364 123.089 121.223 -0.830 0.000 2.131 336 L HA -0.099 4.240 4.340 -0.002 0.000 0.210 336 L C 2.949 179.653 176.870 -0.276 0.000 1.092 336 L CA 1.978 56.369 54.840 -0.747 0.000 0.759 336 L CB -1.093 40.105 42.059 -1.435 0.000 0.903 336 L HN 0.009 nan 8.230 nan 0.000 0.435 337 R N -0.403 119.964 120.500 -0.222 0.000 2.082 337 R HA -0.188 4.151 4.340 -0.002 0.000 0.234 337 R C 1.839 178.209 176.300 0.117 0.000 1.136 337 R CA 2.110 58.296 56.100 0.142 0.000 0.935 337 R CB -0.452 29.957 30.300 0.182 0.000 0.842 337 R HN 0.368 nan 8.270 nan 0.000 0.430 338 D N 0.904 121.347 120.400 0.071 0.000 2.149 338 D HA -0.207 4.432 4.640 -0.002 0.000 0.198 338 D C 1.903 178.246 176.300 0.072 0.000 0.990 338 D CA 1.171 55.220 54.000 0.081 0.000 0.839 338 D CB -0.278 40.571 40.800 0.082 0.000 0.948 338 D HN 0.337 nan 8.370 nan 0.000 0.460 339 L N 0.152 121.420 121.223 0.074 0.000 2.044 339 L HA -0.078 4.261 4.340 -0.002 0.000 0.205 339 L C 2.255 179.145 176.870 0.033 0.000 1.075 339 L CA 0.886 55.761 54.840 0.058 0.000 0.747 339 L CB -0.138 41.967 42.059 0.078 0.000 0.903 339 L HN -0.071 nan 8.230 nan 0.000 0.435 340 I N -0.405 120.188 120.570 0.038 0.000 2.163 340 I HA -0.399 3.770 4.170 -0.002 0.000 0.243 340 I C 2.677 178.741 176.117 -0.088 0.000 1.085 340 I CA 1.531 62.821 61.300 -0.018 0.000 1.347 340 I CB -0.431 37.613 38.000 0.072 0.000 1.044 340 I HN 0.465 nan 8.210 nan 0.000 0.408 341 C N 0.367 119.677 119.300 0.018 0.000 2.413 341 C HA -0.220 4.239 4.460 -0.002 0.000 0.276 341 C C 2.574 177.553 174.990 -0.019 0.000 1.236 341 C CA 1.344 60.371 59.018 0.015 0.000 1.735 341 C CB -1.036 26.764 27.740 0.100 0.000 2.031 341 C HN 0.582 nan 8.230 nan 0.000 0.474 342 D N 0.572 120.976 120.400 0.006 0.000 2.108 342 D HA -0.207 4.432 4.640 -0.002 0.000 0.190 342 D C 2.034 178.325 176.300 -0.014 0.000 0.995 342 D CA 2.067 56.072 54.000 0.008 0.000 0.834 342 D CB -0.293 40.519 40.800 0.019 0.000 0.967 342 D HN 0.384 nan 8.370 nan 0.000 0.446 343 E N -0.150 120.033 120.200 -0.028 0.000 2.097 343 E HA -0.169 4.180 4.350 -0.002 0.000 0.196 343 E C 2.289 178.845 176.600 -0.074 0.000 1.000 343 E CA 1.000 57.379 56.400 -0.037 0.000 0.804 343 E CB -0.551 29.128 29.700 -0.034 0.000 0.740 343 E HN 0.437 nan 8.360 nan 0.000 0.454 344 L N -0.298 120.816 121.223 -0.181 0.000 2.013 344 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 344 L C 2.539 179.389 176.870 -0.034 0.000 1.073 344 L CA 1.211 55.888 54.840 -0.272 0.000 0.753 344 L CB -0.445 41.309 42.059 -0.508 0.000 0.890 344 L HN 0.234 nan 8.230 nan 0.000 0.432 345 L N -0.410 120.806 121.223 -0.010 0.000 2.046 345 L HA -0.231 4.108 4.340 -0.002 0.000 0.208 345 L C 2.377 179.272 176.870 0.041 0.000 1.077 345 L CA 1.076 55.939 54.840 0.039 0.000 0.747 345 L CB -0.621 41.457 42.059 0.032 0.000 0.896 345 L HN 0.392 nan 8.230 nan 0.000 0.432 346 N N -0.036 118.680 118.700 0.026 0.000 2.188 346 N HA -0.153 4.586 4.740 -0.002 0.000 0.184 346 N C 1.810 177.345 175.510 0.042 0.000 1.018 346 N CA 1.375 54.442 53.050 0.028 0.000 0.858 346 N CB -0.248 38.251 38.487 0.021 0.000 0.989 346 N HN 0.387 nan 8.380 nan 0.000 0.426 347 M N -0.206 119.432 119.600 0.064 0.000 2.549 347 M HA 0.034 4.513 4.480 -0.002 0.000 0.260 347 M C 0.695 177.048 176.300 0.088 0.000 1.076 347 M CA 0.771 56.131 55.300 0.100 0.000 1.090 347 M CB -0.052 32.653 32.600 0.176 0.000 1.418 347 M HN 0.245 nan 8.290 nan 0.000 0.486 348 G N 0.358 109.207 108.800 0.082 0.000 2.248 348 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.252 348 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.252 348 G C -0.407 174.484 174.900 -0.014 0.000 1.085 348 G CA -0.595 44.520 45.100 0.026 0.000 0.845 348 G HN 0.441 nan 8.290 nan 0.000 0.494 349 Y N 0.165 120.393 120.300 -0.119 0.000 2.314 349 Y HA 0.458 5.007 4.550 -0.002 0.000 0.334 349 Y C 1.307 177.083 175.900 -0.207 0.000 1.266 349 Y CA 0.169 58.154 58.100 -0.191 0.000 1.391 349 Y CB 0.978 39.329 38.460 -0.181 0.000 1.306 349 Y HN 0.585 nan 8.280 nan 0.000 0.558 350 A N 5.117 127.771 122.820 -0.277 0.000 2.526 350 A HA 0.085 4.404 4.320 -0.002 0.000 0.267 350 A C -1.791 175.595 177.584 -0.331 0.000 1.095 350 A CA -1.075 50.693 52.037 -0.449 0.000 0.775 350 A CB -0.395 17.951 19.000 -1.090 0.000 1.036 350 A HN 0.638 nan 8.150 nan 0.000 0.510 351 P HA -0.223 nan 4.420 nan 0.000 0.217 351 P C 1.558 178.907 177.300 0.081 0.000 1.151 351 P CA 2.063 65.179 63.100 0.027 0.000 0.849 351 P CB -0.126 31.623 31.700 0.083 0.000 0.787 352 W N -2.094 119.293 121.300 0.145 0.000 2.363 352 W HA -0.112 4.547 4.660 -0.001 0.000 0.296 352 W C 2.008 178.622 176.519 0.160 0.000 1.212 352 W CA 0.287 57.705 57.345 0.122 0.000 1.260 352 W CB -1.889 27.630 29.460 0.099 0.000 1.131 352 W HN 0.054 nan 8.180 nan 0.000 0.530 353 W N 2.467 123.513 121.300 -0.423 0.000 2.379 353 W HA -0.166 4.493 4.660 -0.002 0.000 0.307 353 W C 2.492 179.016 176.519 0.008 0.000 1.200 353 W CA 3.096 60.276 57.345 -0.276 0.000 1.297 353 W CB -0.683 28.291 29.460 -0.810 0.000 1.140 353 W HN -0.280 nan 8.180 nan 0.000 0.507 354 V N 1.340 121.358 119.914 0.174 0.000 2.332 354 V HA -0.351 3.768 4.120 -0.002 0.000 0.248 354 V C 2.316 178.419 176.094 0.014 0.000 1.055 354 V CA 2.353 64.721 62.300 0.114 0.000 1.038 354 V CB -1.224 30.685 31.823 0.143 0.000 0.651 354 V HN 0.098 nan 8.190 nan 0.000 0.450 355 K N 0.458 120.890 120.400 0.053 0.000 2.063 355 K HA -0.146 4.173 4.320 -0.002 0.000 0.208 355 K C 1.896 178.516 176.600 0.033 0.000 1.048 355 K CA 1.690 58.026 56.287 0.081 0.000 0.928 355 K CB -0.615 31.967 32.500 0.136 0.000 0.713 355 K HN 0.441 nan 8.250 nan 0.000 0.442 356 L N -0.571 120.629 121.223 -0.039 0.000 2.017 356 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 356 L C 2.270 179.023 176.870 -0.195 0.000 1.073 356 L CA 1.380 56.164 54.840 -0.093 0.000 0.745 356 L CB -0.578 41.398 42.059 -0.139 0.000 0.894 356 L HN 0.148 nan 8.230 nan 0.000 0.432 357 F N 1.120 120.741 119.950 -0.549 0.000 2.043 357 F HA -0.303 4.223 4.527 -0.002 0.000 0.297 357 F C 2.627 178.306 175.800 -0.201 0.000 1.121 357 F CA 2.178 59.887 58.000 -0.485 0.000 1.199 357 F CB -0.367 38.215 39.000 -0.696 0.000 0.968 357 F HN 0.130 nan 8.300 nan 0.000 0.478 358 E N -0.548 119.623 120.200 -0.047 0.000 2.068 358 E HA -0.293 4.057 4.350 -0.002 0.000 0.207 358 E C 2.007 178.535 176.600 -0.120 0.000 1.032 358 E CA 2.584 58.955 56.400 -0.048 0.000 0.839 358 E CB -0.443 29.289 29.700 0.053 0.000 0.758 358 E HN 0.463 nan 8.360 nan 0.000 0.457 359 T N 0.288 114.799 114.554 -0.071 0.000 2.803 359 T HA -0.195 4.154 4.350 -0.002 0.000 0.269 359 T C 2.013 176.645 174.700 -0.115 0.000 1.052 359 T CA 1.473 63.531 62.100 -0.070 0.000 1.136 359 T CB -0.456 68.419 68.868 0.012 0.000 0.864 359 T HN 0.354 nan 8.240 nan 0.000 0.467 360 S N 1.294 116.890 115.700 -0.173 0.000 2.469 360 S HA 0.016 4.485 4.470 -0.002 0.000 0.238 360 S C 1.414 175.969 174.600 -0.074 0.000 0.998 360 S CA 0.677 58.788 58.200 -0.149 0.000 0.957 360 S CB -0.589 62.469 63.200 -0.237 0.000 0.764 360 S HN 0.521 nan 8.310 nan 0.000 0.514 361 L N 0.094 121.215 121.223 -0.171 0.000 3.017 361 L HA 0.449 4.788 4.340 -0.002 0.000 0.255 361 L C 1.084 177.922 176.870 -0.053 0.000 1.247 361 L CA -0.117 54.642 54.840 -0.135 0.000 1.038 361 L CB 0.168 42.097 42.059 -0.215 0.000 1.380 361 L HN 0.171 nan 8.230 nan 0.000 0.548 362 K N -0.637 119.742 120.400 -0.034 0.000 2.585 362 K HA 0.233 4.552 4.320 -0.002 0.000 0.210 362 K C -0.065 176.515 176.600 -0.033 0.000 1.294 362 K CA -0.519 55.745 56.287 -0.038 0.000 1.025 362 K CB 1.254 33.714 32.500 -0.067 0.000 1.076 362 K HN 0.033 nan 8.250 nan 0.000 0.613 363 L N 3.353 124.584 121.223 0.015 0.000 2.529 363 L HA 0.033 4.372 4.340 -0.002 0.000 0.287 363 L C -2.296 174.623 176.870 0.082 0.000 1.241 363 L CA -0.921 53.932 54.840 0.021 0.000 0.857 363 L CB -0.004 42.084 42.059 0.048 0.000 1.113 363 L HN -0.070 nan 8.230 nan 0.000 0.504 364 P HA 0.317 nan 4.420 nan 0.000 0.275 364 P C -1.587 175.802 177.300 0.149 0.000 1.266 364 P CA -0.335 62.810 63.100 0.074 0.000 0.793 364 P CB 0.836 32.559 31.700 0.039 0.000 1.074 365 V N -2.049 117.965 119.914 0.168 0.000 2.760 365 V HA 0.497 4.616 4.120 -0.002 0.000 0.309 365 V C -1.659 174.576 176.094 0.235 0.000 1.077 365 V CA -0.983 61.436 62.300 0.199 0.000 0.910 365 V CB 1.568 33.461 31.823 0.117 0.000 1.008 365 V HN 0.437 nan 8.190 nan 0.000 0.424 366 Y N 4.457 124.841 120.300 0.141 0.000 2.404 366 Y HA 0.696 5.245 4.550 -0.002 0.000 0.344 366 Y C -0.131 175.798 175.900 0.050 0.000 0.970 366 Y CA -0.538 57.671 58.100 0.181 0.000 1.180 366 Y CB 1.403 40.049 38.460 0.310 0.000 1.138 366 Y HN 0.709 nan 8.280 nan 0.000 0.510 367 V N 7.903 127.547 119.914 -0.449 0.000 2.488 367 V HA 0.226 4.345 4.120 -0.002 0.000 0.277 367 V C 0.908 176.548 176.094 -0.756 0.000 1.046 367 V CA 0.648 62.632 62.300 -0.527 0.000 0.986 367 V CB 0.738 32.226 31.823 -0.559 0.000 0.989 367 V HN 1.075 nan 8.190 nan 0.000 0.475 368 G N 3.817 112.282 108.800 -0.559 0.000 2.535 368 G HA2 0.390 4.349 3.960 -0.002 0.000 0.210 368 G HA3 0.390 4.349 3.960 -0.002 0.000 0.210 368 G C 0.282 174.952 174.900 -0.383 0.000 1.593 368 G CA 0.518 45.331 45.100 -0.479 0.000 0.948 368 G HN 1.061 nan 8.290 nan 0.000 0.476 369 A N 0.463 123.201 122.820 -0.136 0.000 2.815 369 A HA 0.645 4.964 4.320 -0.002 0.000 0.318 369 A C -1.598 175.978 177.584 -0.013 0.000 1.186 369 A CA -0.880 51.161 52.037 0.008 0.000 0.754 369 A CB 1.504 20.601 19.000 0.161 0.000 1.151 369 A HN 0.257 nan 8.150 nan 0.000 0.452 370 P HA 0.152 nan 4.420 nan 0.000 0.230 370 P C 0.449 177.652 177.300 -0.161 0.000 1.158 370 P CA 1.555 64.325 63.100 -0.550 0.000 0.769 370 P CB 0.370 31.704 31.700 -0.611 0.000 0.807 371 A N -1.292 121.558 122.820 0.051 0.000 2.544 371 A HA 0.597 4.916 4.320 -0.002 0.000 0.291 371 A C -3.206 174.267 177.584 -0.184 0.000 1.055 371 A CA -1.380 50.577 52.037 -0.133 0.000 0.651 371 A CB 0.237 19.160 19.000 -0.130 0.000 1.296 371 A HN -0.258 nan 8.150 nan 0.000 0.431 372 P HA 0.292 nan 4.420 nan 0.000 0.269 372 P C -0.587 176.680 177.300 -0.055 0.000 1.209 372 P CA 0.706 63.668 63.100 -0.230 0.000 0.776 372 P CB 0.285 31.789 31.700 -0.327 0.000 0.876 373 E N -1.098 119.115 120.200 0.021 0.000 2.586 373 E HA -0.266 4.083 4.350 -0.002 0.000 0.259 373 E C -0.221 176.423 176.600 0.072 0.000 1.107 373 E CA 1.057 57.472 56.400 0.025 0.000 0.754 373 E CB -1.715 27.984 29.700 -0.002 0.000 1.335 373 E HN 0.625 nan 8.360 nan 0.000 0.411 374 Q N -1.457 118.428 119.800 0.141 0.000 2.391 374 Q HA 0.536 4.875 4.340 -0.002 0.000 0.279 374 Q C 0.103 176.298 176.000 0.324 0.000 1.028 374 Q CA 0.103 56.052 55.803 0.243 0.000 0.836 374 Q CB 2.057 30.939 28.738 0.241 0.000 1.414 374 Q HN 0.288 nan 8.270 nan 0.000 0.397 375 G N 1.052 110.121 108.800 0.447 0.000 2.384 375 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.200 375 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.200 375 G C -1.117 174.005 174.900 0.371 0.000 1.205 375 G CA 0.004 45.266 45.100 0.270 0.000 1.116 375 G HN 1.111 nan 8.290 nan 0.000 0.547 376 H N -0.339 118.701 119.070 -0.051 0.000 2.604 376 H HA -0.047 4.508 4.556 -0.002 0.000 0.321 376 H C 0.330 175.716 175.328 0.097 0.000 1.132 376 H CA 1.535 57.598 56.048 0.024 0.000 1.129 376 H CB -1.870 27.989 29.762 0.161 0.000 1.526 376 H HN 0.833 nan 8.280 nan 0.000 0.415 377 T N 0.514 115.064 114.554 -0.006 0.000 2.912 377 T HA 0.504 4.853 4.350 -0.002 0.000 0.299 377 T C -0.411 174.413 174.700 0.207 0.000 1.052 377 T CA -0.891 61.371 62.100 0.269 0.000 0.996 377 T CB 2.124 71.297 68.868 0.508 0.000 1.070 377 T HN 0.236 nan 8.240 nan 0.000 0.465 378 L N 3.965 125.468 121.223 0.467 0.000 2.287 378 L HA 0.664 5.003 4.340 -0.002 0.000 0.287 378 L C -1.386 175.775 176.870 0.485 0.000 1.022 378 L CA -0.445 54.700 54.840 0.509 0.000 0.814 378 L CB 0.366 42.750 42.059 0.542 0.000 1.217 378 L HN 0.573 nan 8.230 nan 0.000 0.420 379 L N 5.897 127.340 121.223 0.366 0.000 2.295 379 L HA 0.874 5.213 4.340 -0.002 0.000 0.285 379 L C 0.636 177.658 176.870 0.252 0.000 1.035 379 L CA -0.411 54.606 54.840 0.295 0.000 0.806 379 L CB 1.132 43.323 42.059 0.219 0.000 1.214 379 L HN 0.937 nan 8.230 nan 0.000 0.426 380 G N 1.914 110.870 108.800 0.259 0.000 2.719 380 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.686 380 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.686 380 G C -1.309 173.770 174.900 0.298 0.000 1.201 380 G CA -0.829 44.397 45.100 0.209 0.000 0.768 380 G HN 0.730 nan 8.290 nan 0.000 0.629 381 D N 2.259 122.786 120.400 0.211 0.000 2.329 381 D HA 0.577 5.216 4.640 -0.002 0.000 0.232 381 D C -0.927 175.340 176.300 -0.055 0.000 1.088 381 D CA -2.416 51.656 54.000 0.120 0.000 0.835 381 D CB 1.695 42.621 40.800 0.210 0.000 1.078 381 D HN 0.026 nan 8.370 nan 0.000 0.495 382 P HA -0.067 nan 4.420 nan 0.000 0.220 382 P C 1.231 178.441 177.300 -0.150 0.000 1.148 382 P CA 0.713 63.691 63.100 -0.204 0.000 0.803 382 P CB 0.339 31.863 31.700 -0.294 0.000 0.782 383 S N -1.136 114.522 115.700 -0.070 0.000 2.402 383 S HA -0.143 4.326 4.470 -0.002 0.000 0.233 383 S C 1.069 175.726 174.600 0.095 0.000 1.030 383 S CA 1.049 59.280 58.200 0.052 0.000 1.003 383 S CB -0.662 62.570 63.200 0.054 0.000 0.813 383 S HN 0.253 nan 8.310 nan 0.000 0.477 384 N N 0.561 119.222 118.700 -0.064 0.000 2.701 384 N HA 0.204 4.943 4.740 -0.002 0.000 0.258 384 N C -3.550 171.789 175.510 -0.286 0.000 1.262 384 N CA -1.366 51.579 53.050 -0.175 0.000 0.780 384 N CB 1.159 39.674 38.487 0.046 0.000 1.380 384 N HN -0.109 nan 8.380 nan 0.000 0.548 385 P HA 0.041 nan 4.420 nan 0.000 0.255 385 P C -0.522 176.663 177.300 -0.193 0.000 1.173 385 P CA 0.492 63.382 63.100 -0.350 0.000 0.780 385 P CB 0.231 31.646 31.700 -0.476 0.000 0.758 386 D N 1.474 121.817 120.400 -0.097 0.000 2.636 386 D HA 0.078 4.717 4.640 -0.002 0.000 0.270 386 D C -0.088 176.197 176.300 -0.025 0.000 1.430 386 D CA -0.178 53.793 54.000 -0.048 0.000 0.796 386 D CB -0.336 40.450 40.800 -0.024 0.000 1.117 386 D HN -0.009 nan 8.370 nan 0.000 0.480 387 L N 1.009 122.218 121.223 -0.024 0.000 2.452 387 L HA 0.366 4.705 4.340 -0.002 0.000 0.267 387 L C 0.613 177.477 176.870 -0.011 0.000 1.188 387 L CA 0.631 55.464 54.840 -0.010 0.000 0.821 387 L CB 0.576 42.637 42.059 0.003 0.000 1.102 387 L HN 0.143 nan 8.230 nan 0.000 0.470 388 E N 2.021 122.213 120.200 -0.013 0.000 3.568 388 E HA 0.127 4.476 4.350 -0.002 0.000 0.213 388 E C 0.560 177.149 176.600 -0.019 0.000 1.197 388 E CA -0.024 56.371 56.400 -0.008 0.000 1.126 388 E CB 0.942 30.638 29.700 -0.006 0.000 1.285 388 E HN 0.450 nan 8.360 nan 0.000 0.418 389 V N -1.394 118.503 119.914 -0.028 0.000 3.647 389 V HA 0.463 4.582 4.120 -0.002 0.000 0.279 389 V C 0.896 176.963 176.094 -0.046 0.000 1.314 389 V CA 0.826 63.096 62.300 -0.050 0.000 1.125 389 V CB -0.299 31.479 31.823 -0.075 0.000 0.907 389 V HN 0.480 nan 8.190 nan 0.000 0.434 390 G N 0.501 109.308 108.800 0.013 0.000 2.484 390 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.225 390 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.225 390 G C -0.579 174.321 174.900 0.000 0.000 1.250 390 G CA -0.184 44.978 45.100 0.104 0.000 0.926 390 G HN 0.494 nan 8.290 nan 0.000 0.581 391 L N 1.297 122.444 121.223 -0.126 0.000 2.313 391 L HA 0.504 4.843 4.340 -0.002 0.000 0.282 391 L C 0.965 177.637 176.870 -0.330 0.000 1.092 391 L CA -0.003 54.580 54.840 -0.427 0.000 0.831 391 L CB 1.276 43.012 42.059 -0.537 0.000 1.159 391 L HN 0.653 nan 8.230 nan 0.000 0.442 392 S N 1.323 116.770 115.700 -0.421 0.000 2.452 392 S HA 0.075 4.544 4.470 -0.002 0.000 0.284 392 S C 1.276 175.640 174.600 -0.394 0.000 1.171 392 S CA -0.418 57.461 58.200 -0.535 0.000 1.064 392 S CB 1.121 63.711 63.200 -1.017 0.000 0.967 392 S HN 0.770 nan 8.310 nan 0.000 0.484 393 S N 3.823 119.358 115.700 -0.275 0.000 2.440 393 S HA -0.057 4.412 4.470 -0.002 0.000 0.240 393 S C 1.497 176.048 174.600 -0.082 0.000 1.014 393 S CA 1.049 59.160 58.200 -0.148 0.000 0.980 393 S CB -0.461 62.681 63.200 -0.096 0.000 0.775 393 S HN 0.849 nan 8.310 nan 0.000 0.499 394 G N 0.141 108.901 108.800 -0.067 0.000 3.233 394 G HA2 0.163 4.122 3.960 -0.002 0.000 0.234 394 G HA3 0.163 4.122 3.960 -0.002 0.000 0.234 394 G C 0.251 175.286 174.900 0.225 0.000 1.137 394 G CA -0.432 44.740 45.100 0.121 0.000 0.763 394 G HN 0.445 nan 8.290 nan 0.000 0.549 395 Q N 0.819 120.694 119.800 0.124 0.000 2.364 395 Q HA 0.148 4.487 4.340 -0.002 0.000 0.267 395 Q C 1.509 177.555 176.000 0.077 0.000 0.999 395 Q CA 0.280 56.164 55.803 0.135 0.000 0.886 395 Q CB 1.322 30.034 28.738 -0.044 0.000 1.243 395 Q HN 0.111 nan 8.270 nan 0.000 0.415 396 G N 2.513 111.369 108.800 0.092 0.000 2.653 396 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.212 396 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.212 396 G C 0.574 175.555 174.900 0.134 0.000 1.138 396 G CA 0.721 45.892 45.100 0.119 0.000 0.782 396 G HN 0.611 nan 8.290 nan 0.000 0.535 397 A N -0.289 122.605 122.820 0.123 0.000 2.543 397 A HA 0.421 4.740 4.320 -0.002 0.000 0.279 397 A C 1.744 179.363 177.584 0.059 0.000 0.917 397 A CA 0.870 52.993 52.037 0.143 0.000 1.036 397 A CB -0.451 18.736 19.000 0.313 0.000 1.227 397 A HN 0.260 nan 8.150 nan 0.000 0.503 398 T N -1.122 113.418 114.554 -0.025 0.000 2.897 398 T HA -0.200 4.149 4.350 -0.002 0.000 0.271 398 T C 1.349 176.007 174.700 -0.070 0.000 1.084 398 T CA 1.649 63.678 62.100 -0.118 0.000 1.123 398 T CB -0.459 68.325 68.868 -0.140 0.000 0.865 398 T HN 0.561 nan 8.240 nan 0.000 0.496 399 D N 2.040 122.429 120.400 -0.019 0.000 2.103 399 D HA -0.057 4.582 4.640 -0.002 0.000 0.199 399 D C 2.181 178.477 176.300 -0.005 0.000 0.978 399 D CA 0.636 54.632 54.000 -0.006 0.000 0.829 399 D CB -0.833 39.973 40.800 0.010 0.000 0.981 399 D HN 0.421 nan 8.370 nan 0.000 0.464 400 L N -0.399 120.818 121.223 -0.009 0.000 2.079 400 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 400 L C 2.761 179.697 176.870 0.110 0.000 1.081 400 L CA 0.910 55.746 54.840 -0.007 0.000 0.752 400 L CB -0.450 41.609 42.059 0.001 0.000 0.896 400 L HN -0.024 nan 8.230 nan 0.000 0.433 401 M N -0.391 119.277 119.600 0.114 0.000 2.117 401 M HA -0.094 4.385 4.480 -0.002 0.000 0.262 401 M C 2.417 178.923 176.300 0.343 0.000 1.065 401 M CA 1.923 57.331 55.300 0.180 0.000 1.114 401 M CB -1.810 30.625 32.600 -0.275 0.000 1.361 401 M HN 0.312 nan 8.290 nan 0.000 0.408 402 G N -0.599 108.316 108.800 0.191 0.000 2.408 402 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.217 402 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.217 402 G C 1.567 176.672 174.900 0.342 0.000 1.150 402 G CA 1.369 46.718 45.100 0.415 0.000 0.776 402 G HN 0.410 nan 8.290 nan 0.000 0.542 403 T N 1.347 116.018 114.554 0.195 0.000 2.737 403 T HA -0.082 4.267 4.350 -0.002 0.000 0.265 403 T C 2.205 177.042 174.700 0.228 0.000 1.038 403 T CA 0.974 63.169 62.100 0.159 0.000 1.144 403 T CB -0.248 68.588 68.868 -0.054 0.000 0.866 403 T HN 0.090 nan 8.240 nan 0.000 0.434 404 L N 1.758 123.124 121.223 0.239 0.000 1.989 404 L HA -0.024 4.315 4.340 -0.002 0.000 0.211 404 L C 2.286 179.391 176.870 0.391 0.000 1.071 404 L CA 1.760 56.802 54.840 0.336 0.000 0.749 404 L CB -1.598 40.677 42.059 0.359 0.000 0.890 404 L HN 0.264 nan 8.230 nan 0.000 0.431 405 L N -0.429 121.032 121.223 0.397 0.000 1.971 405 L HA -0.248 4.091 4.340 -0.002 0.000 0.215 405 L C 2.443 179.462 176.870 0.250 0.000 1.072 405 L CA 2.214 57.236 54.840 0.304 0.000 0.758 405 L CB -0.677 41.532 42.059 0.251 0.000 0.889 405 L HN 0.234 nan 8.230 nan 0.000 0.433 406 M N -0.872 118.864 119.600 0.227 0.000 2.086 406 M HA -0.158 4.321 4.480 -0.002 0.000 0.261 406 M C 2.621 178.930 176.300 0.015 0.000 1.067 406 M CA 1.894 57.188 55.300 -0.010 0.000 1.116 406 M CB -1.742 30.872 32.600 0.024 0.000 1.348 406 M HN 0.535 nan 8.290 nan 0.000 0.407 407 S N 0.821 116.735 115.700 0.356 0.000 2.359 407 S HA -0.127 4.342 4.470 -0.002 0.000 0.223 407 S C 1.919 176.788 174.600 0.449 0.000 1.039 407 S CA 1.166 59.721 58.200 0.592 0.000 1.042 407 S CB -0.078 63.592 63.200 0.782 0.000 0.915 407 S HN 0.275 nan 8.310 nan 0.000 0.439 408 I N 1.482 122.213 120.570 0.268 0.000 2.163 408 I HA -0.136 4.033 4.170 -0.002 0.000 0.243 408 I C 2.549 178.616 176.117 -0.083 0.000 1.085 408 I CA 1.629 62.894 61.300 -0.057 0.000 1.347 408 I CB -2.184 35.514 38.000 -0.502 0.000 1.044 408 I HN 0.329 nan 8.210 nan 0.000 0.408 409 T N 0.592 115.131 114.554 -0.024 0.000 2.699 409 T HA -0.232 4.117 4.350 -0.002 0.000 0.268 409 T C 1.883 176.660 174.700 0.127 0.000 1.036 409 T CA 1.684 63.811 62.100 0.045 0.000 1.147 409 T CB -0.372 68.487 68.868 -0.014 0.000 0.862 409 T HN 0.174 nan 8.240 nan 0.000 0.446 410 Y N 0.705 121.117 120.300 0.187 0.000 2.181 410 Y HA 0.016 4.565 4.550 -0.002 0.000 0.288 410 Y C 2.174 178.142 175.900 0.114 0.000 1.146 410 Y CA 0.078 58.282 58.100 0.174 0.000 1.164 410 Y CB -1.063 37.513 38.460 0.193 0.000 0.982 410 Y HN 0.121 nan 8.280 nan 0.000 0.515 411 L N -0.574 120.786 121.223 0.229 0.000 2.017 411 L HA -0.143 4.196 4.340 -0.002 0.000 0.208 411 L C 2.197 179.032 176.870 -0.058 0.000 1.073 411 L CA 1.480 56.284 54.840 -0.061 0.000 0.745 411 L CB -1.048 40.846 42.059 -0.275 0.000 0.894 411 L HN 0.039 nan 8.230 nan 0.000 0.432 412 V N -0.389 119.523 119.914 -0.003 0.000 2.490 412 V HA -0.331 3.788 4.120 -0.002 0.000 0.250 412 V C 2.626 178.775 176.094 0.091 0.000 1.061 412 V CA 2.085 64.399 62.300 0.022 0.000 1.064 412 V CB -0.484 31.393 31.823 0.091 0.000 0.670 412 V HN 0.599 nan 8.190 nan 0.000 0.461 413 M N -0.732 118.981 119.600 0.189 0.000 2.117 413 M HA -0.245 4.234 4.480 -0.002 0.000 0.262 413 M C 2.326 178.806 176.300 0.298 0.000 1.065 413 M CA 1.863 57.341 55.300 0.297 0.000 1.114 413 M CB -0.127 32.692 32.600 0.365 0.000 1.361 413 M HN 0.356 nan 8.290 nan 0.000 0.408 414 Q N 0.052 119.982 119.800 0.217 0.000 2.079 414 Q HA -0.155 4.184 4.340 -0.002 0.000 0.200 414 Q C 2.070 178.141 176.000 0.119 0.000 0.974 414 Q CA 1.514 57.448 55.803 0.219 0.000 0.840 414 Q CB -0.235 28.536 28.738 0.056 0.000 0.898 414 Q HN 0.547 nan 8.270 nan 0.000 0.430 415 L N 0.713 121.938 121.223 0.003 0.000 2.017 415 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 415 L C 1.917 178.747 176.870 -0.067 0.000 1.073 415 L CA 1.031 55.826 54.840 -0.076 0.000 0.745 415 L CB -0.460 41.517 42.059 -0.136 0.000 0.894 415 L HN 0.174 nan 8.230 nan 0.000 0.432 416 D N -0.823 119.531 120.400 -0.077 0.000 2.104 416 D HA -0.173 4.466 4.640 -0.002 0.000 0.194 416 D C 1.957 178.091 176.300 -0.277 0.000 0.994 416 D CA 1.390 55.256 54.000 -0.224 0.000 0.830 416 D CB -0.131 40.462 40.800 -0.345 0.000 0.959 416 D HN 0.410 nan 8.370 nan 0.000 0.452 417 H N -1.683 117.432 119.070 0.076 0.000 2.586 417 H HA 0.219 4.774 4.556 -0.001 0.000 0.273 417 H C 1.102 176.482 175.328 0.087 0.000 0.997 417 H CA 1.130 57.225 56.048 0.078 0.000 1.177 417 H CB 0.827 30.644 29.762 0.092 0.000 1.471 417 H HN 0.261 nan 8.280 nan 0.000 0.538 418 T N -4.119 110.554 114.554 0.198 0.000 3.177 418 T HA 0.328 4.678 4.350 -0.002 0.000 0.267 418 T C 1.032 175.828 174.700 0.160 0.000 0.858 418 T CA 0.270 62.492 62.100 0.203 0.000 0.846 418 T CB 0.021 69.091 68.868 0.336 0.000 1.256 418 T HN 0.137 nan 8.240 nan 0.000 0.601 419 A N 2.442 125.275 122.820 0.021 0.000 2.795 419 A HA 0.603 4.922 4.320 -0.002 0.000 0.282 419 A C -1.392 175.965 177.584 -0.378 0.000 0.964 419 A CA -0.831 51.036 52.037 -0.283 0.000 1.045 419 A CB 0.387 19.211 19.000 -0.293 0.000 1.174 419 A HN 0.292 nan 8.150 nan 0.000 0.493 420 P HA -0.228 nan 4.420 nan 0.000 0.222 420 P C 0.846 178.081 177.300 -0.108 0.000 1.142 420 P CA 1.238 64.270 63.100 -0.113 0.000 0.788 420 P CB -0.520 31.162 31.700 -0.030 0.000 0.767 421 H N -1.284 117.773 119.070 -0.022 0.000 2.562 421 H HA 0.181 4.736 4.556 -0.002 0.000 0.274 421 H C 1.268 176.570 175.328 -0.044 0.000 1.038 421 H CA 0.068 56.102 56.048 -0.023 0.000 1.161 421 H CB -0.638 29.125 29.762 0.002 0.000 1.318 421 H HN 0.227 nan 8.280 nan 0.000 0.617 422 L N -0.192 120.871 121.223 -0.266 0.000 2.717 422 L HA 0.053 4.392 4.340 -0.002 0.000 0.239 422 L C 1.628 178.304 176.870 -0.324 0.000 1.086 422 L CA -0.105 54.576 54.840 -0.266 0.000 0.897 422 L CB 0.023 41.871 42.059 -0.351 0.000 1.214 422 L HN 0.081 nan 8.230 nan 0.000 0.508 423 N N 0.905 119.442 118.700 -0.271 0.000 2.184 423 N HA -0.199 4.540 4.740 -0.002 0.000 0.190 423 N C 1.825 177.205 175.510 -0.216 0.000 1.011 423 N CA 1.896 54.793 53.050 -0.256 0.000 0.867 423 N CB -0.282 38.102 38.487 -0.173 0.000 0.993 423 N HN 0.379 nan 8.380 nan 0.000 0.433 424 S N 0.318 115.926 115.700 -0.154 0.000 2.547 424 S HA 0.034 4.503 4.470 -0.002 0.000 0.235 424 S C 1.520 176.049 174.600 -0.118 0.000 0.980 424 S CA 0.400 58.536 58.200 -0.107 0.000 0.941 424 S CB -0.064 63.102 63.200 -0.058 0.000 0.763 424 S HN 0.325 nan 8.310 nan 0.000 0.532 425 R N 0.279 120.665 120.500 -0.190 0.000 2.334 425 R HA 0.393 4.732 4.340 -0.002 0.000 0.216 425 R C -0.236 175.941 176.300 -0.206 0.000 0.905 425 R CA 0.230 56.230 56.100 -0.166 0.000 1.064 425 R CB 0.075 30.283 30.300 -0.154 0.000 1.046 425 R HN 0.441 nan 8.270 nan 0.000 0.508 426 I N 1.146 121.558 120.570 -0.264 0.000 2.557 426 I HA 0.168 4.338 4.170 -0.002 0.000 0.277 426 I C 0.327 176.365 176.117 -0.132 0.000 1.106 426 I CA -0.044 61.124 61.300 -0.220 0.000 1.180 426 I CB 1.241 39.042 38.000 -0.330 0.000 1.392 426 I HN -0.110 nan 8.210 nan 0.000 0.506 427 K N 2.478 122.830 120.400 -0.080 0.000 2.402 427 K HA 0.179 4.498 4.320 -0.002 0.000 0.203 427 K C -0.635 175.943 176.600 -0.036 0.000 1.077 427 K CA 0.031 56.284 56.287 -0.057 0.000 1.051 427 K CB 0.545 33.017 32.500 -0.045 0.000 0.907 427 K HN 0.629 nan 8.250 nan 0.000 0.554 428 D N -2.370 118.014 120.400 -0.027 0.000 2.738 428 D HA 0.049 4.688 4.640 -0.002 0.000 0.308 428 D C 0.630 176.926 176.300 -0.006 0.000 1.311 428 D CA -0.715 53.278 54.000 -0.013 0.000 0.799 428 D CB 0.079 40.875 40.800 -0.007 0.000 1.332 428 D HN -0.356 nan 8.370 nan 0.000 0.441 429 M N -0.644 118.958 119.600 0.004 0.000 2.065 429 M HA 0.001 4.480 4.480 -0.002 0.000 0.259 429 M C -1.000 175.310 176.300 0.017 0.000 1.069 429 M CA 1.792 57.099 55.300 0.012 0.000 1.110 429 M CB -2.409 30.202 32.600 0.018 0.000 1.328 429 M HN 0.380 nan 8.290 nan 0.000 0.405 430 P HA -0.147 nan 4.420 nan 0.000 0.213 430 P C 1.776 179.095 177.300 0.032 0.000 1.176 430 P CA 2.554 65.670 63.100 0.026 0.000 0.919 430 P CB -0.288 31.425 31.700 0.022 0.000 0.791 431 S N -0.432 115.283 115.700 0.025 0.000 2.370 431 S HA -0.213 4.256 4.470 -0.002 0.000 0.226 431 S C 2.128 176.765 174.600 0.062 0.000 1.033 431 S CA 1.448 59.670 58.200 0.037 0.000 1.011 431 S CB -1.684 61.520 63.200 0.007 0.000 0.852 431 S HN 0.151 nan 8.310 nan 0.000 0.457 432 A N 1.288 124.125 122.820 0.029 0.000 1.873 432 A HA -0.148 4.171 4.320 -0.002 0.000 0.218 432 A C 2.599 180.211 177.584 0.047 0.000 1.193 432 A CA 1.798 53.854 52.037 0.031 0.000 0.629 432 A CB -1.702 17.294 19.000 -0.007 0.000 0.826 432 A HN 0.715 nan 8.150 nan 0.000 0.447 433 C N -0.993 118.321 119.300 0.022 0.000 2.413 433 C HA -0.140 4.319 4.460 -0.002 0.000 0.278 433 C C 2.881 177.881 174.990 0.017 0.000 1.224 433 C CA 1.275 60.297 59.018 0.006 0.000 1.732 433 C CB -1.454 26.306 27.740 0.034 0.000 2.050 433 C HN 0.635 nan 8.230 nan 0.000 0.463 434 R N -0.261 120.274 120.500 0.057 0.000 2.103 434 R HA -0.196 4.143 4.340 -0.002 0.000 0.242 434 R C 2.083 178.415 176.300 0.053 0.000 1.142 434 R CA 1.925 58.066 56.100 0.068 0.000 0.960 434 R CB -0.711 29.637 30.300 0.081 0.000 0.858 434 R HN 0.598 nan 8.270 nan 0.000 0.439 435 F N 1.449 121.372 119.950 -0.045 0.000 2.102 435 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 435 F C 2.016 177.759 175.800 -0.096 0.000 1.105 435 F CA 1.235 59.197 58.000 -0.064 0.000 1.239 435 F CB -0.361 38.578 39.000 -0.102 0.000 0.991 435 F HN -0.072 nan 8.300 nan 0.000 0.474 436 L N 0.828 121.857 121.223 -0.325 0.000 2.027 436 L HA -0.186 4.153 4.340 -0.002 0.000 0.206 436 L C 2.264 178.820 176.870 -0.524 0.000 1.074 436 L CA 2.270 56.759 54.840 -0.585 0.000 0.745 436 L CB -1.369 40.300 42.059 -0.650 0.000 0.898 436 L HN 0.330 nan 8.230 nan 0.000 0.433 437 D N -1.420 118.822 120.400 -0.263 0.000 2.133 437 D HA -0.244 4.395 4.640 -0.002 0.000 0.195 437 D C 2.063 178.408 176.300 0.074 0.000 0.997 437 D CA 1.574 55.583 54.000 0.015 0.000 0.840 437 D CB 0.222 41.135 40.800 0.188 0.000 0.947 437 D HN 0.472 nan 8.370 nan 0.000 0.452 438 S N -1.249 114.416 115.700 -0.059 0.000 2.355 438 S HA -0.196 4.273 4.470 -0.002 0.000 0.222 438 S C 2.098 176.613 174.600 -0.142 0.000 1.031 438 S CA 0.990 59.173 58.200 -0.029 0.000 0.993 438 S CB -0.751 62.404 63.200 -0.075 0.000 0.859 438 S HN 0.495 nan 8.310 nan 0.000 0.453 439 Y N 0.607 120.601 120.300 -0.510 0.000 2.081 439 Y HA -0.207 4.343 4.550 -0.001 0.000 0.280 439 Y C 1.973 177.771 175.900 -0.170 0.000 1.163 439 Y CA 2.269 60.078 58.100 -0.484 0.000 1.135 439 Y CB -0.452 37.563 38.460 -0.742 0.000 0.970 439 Y HN 0.367 nan 8.280 nan 0.000 0.498 440 W N 1.010 122.092 121.300 -0.363 0.000 2.468 440 W HA -0.129 4.531 4.660 -0.001 0.000 0.262 440 W C 1.831 178.219 176.519 -0.218 0.000 1.241 440 W CA 1.059 58.169 57.345 -0.391 0.000 1.232 440 W CB -0.709 28.516 29.460 -0.392 0.000 1.124 440 W HN 0.386 nan 8.180 nan 0.000 0.597 441 Q N -0.709 119.086 119.800 -0.008 0.000 2.403 441 Q HA 0.192 4.531 4.340 -0.002 0.000 0.203 441 Q C 1.580 177.120 176.000 -0.767 0.000 0.932 441 Q CA 0.716 56.390 55.803 -0.215 0.000 0.945 441 Q CB 0.068 28.677 28.738 -0.217 0.000 1.045 441 Q HN 0.303 nan 8.270 nan 0.000 0.511 442 G N 1.164 109.458 108.800 -0.843 0.000 2.143 442 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.249 442 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.249 442 G C 0.013 174.467 174.900 -0.743 0.000 0.981 442 G CA 0.222 44.479 45.100 -1.406 0.000 0.665 442 G HN 0.613 nan 8.290 nan 0.000 0.528 443 H N 0.344 119.216 119.070 -0.331 0.000 2.605 443 H HA 0.397 4.952 4.556 -0.002 0.000 0.308 443 H C 0.379 175.640 175.328 -0.112 0.000 1.080 443 H CA -0.123 55.817 56.048 -0.179 0.000 1.119 443 H CB 0.459 30.153 29.762 -0.112 0.000 1.479 443 H HN 0.307 nan 8.280 nan 0.000 0.537 444 E N 0.317 120.503 120.200 -0.024 0.000 2.392 444 E HA 0.039 4.388 4.350 -0.002 0.000 0.269 444 E C 0.579 177.184 176.600 0.008 0.000 0.924 444 E CA -0.443 55.978 56.400 0.036 0.000 0.784 444 E CB 1.392 31.142 29.700 0.082 0.000 1.292 444 E HN 0.531 nan 8.360 nan 0.000 0.447 445 E N 0.069 120.301 120.200 0.053 0.000 2.418 445 E HA -0.028 4.321 4.350 -0.002 0.000 0.197 445 E C 0.894 177.435 176.600 -0.099 0.000 1.026 445 E CA 0.658 57.076 56.400 0.030 0.000 0.862 445 E CB -0.493 29.279 29.700 0.120 0.000 0.799 445 E HN 0.380 nan 8.360 nan 0.000 0.518 446 I N -0.485 120.008 120.570 -0.128 0.000 2.339 446 I HA 0.504 4.673 4.170 -0.002 0.000 0.290 446 I C -0.267 175.698 176.117 -0.255 0.000 0.994 446 I CA -1.179 59.893 61.300 -0.381 0.000 1.191 446 I CB 1.233 39.070 38.000 -0.273 0.000 1.343 446 I HN -0.196 nan 8.210 nan 0.000 0.458 447 R N 4.706 124.857 120.500 -0.582 0.000 2.902 447 R HA 0.626 4.966 4.340 -0.002 0.000 0.258 447 R C -1.089 174.918 176.300 -0.488 0.000 1.071 447 R CA -0.835 54.988 56.100 -0.461 0.000 1.024 447 R CB 2.021 32.131 30.300 -0.316 0.000 1.184 447 R HN 0.865 nan 8.270 nan 0.000 0.492 448 Q N 1.293 120.961 119.800 -0.220 0.000 2.353 448 Q HA 0.516 4.855 4.340 -0.002 0.000 0.275 448 Q C -1.604 174.364 176.000 -0.054 0.000 1.029 448 Q CA -0.681 55.033 55.803 -0.149 0.000 0.848 448 Q CB 2.125 30.802 28.738 -0.102 0.000 1.390 448 Q HN 0.680 nan 8.270 nan 0.000 0.401 449 I N 0.528 121.024 120.570 -0.125 0.000 2.499 449 I HA 0.845 5.014 4.170 -0.002 0.000 0.288 449 I C -0.796 175.051 176.117 -0.449 0.000 1.048 449 I CA -0.539 60.603 61.300 -0.263 0.000 1.062 449 I CB 2.064 39.794 38.000 -0.449 0.000 1.238 449 I HN 0.753 nan 8.210 nan 0.000 0.426 450 S N 4.106 119.796 115.700 -0.017 0.000 2.661 450 S HA 0.713 5.182 4.470 -0.002 0.000 0.268 450 S C -1.149 173.792 174.600 0.570 0.000 1.162 450 S CA -0.917 57.432 58.200 0.248 0.000 0.817 450 S CB 2.194 65.542 63.200 0.246 0.000 1.141 450 S HN 0.919 nan 8.310 nan 0.000 0.477 451 K N 1.048 121.741 120.400 0.489 0.000 2.707 451 K HA 0.535 4.854 4.320 -0.002 0.000 0.283 451 K C -0.154 176.594 176.600 0.246 0.000 1.105 451 K CA 0.221 56.721 56.287 0.355 0.000 1.018 451 K CB 0.608 33.253 32.500 0.242 0.000 1.315 451 K HN 0.957 nan 8.250 nan 0.000 0.495 452 S N 1.523 117.352 115.700 0.214 0.000 3.736 452 S HA -0.277 4.192 4.470 -0.002 0.000 0.627 452 S C 0.590 175.269 174.600 0.132 0.000 2.426 452 S CA 1.477 59.729 58.200 0.087 0.000 4.022 452 S CB -0.977 62.176 63.200 -0.079 0.000 0.237 452 S HN 1.000 nan 8.310 nan 0.000 0.967 453 D N 1.964 122.324 120.400 -0.066 0.000 2.403 453 D HA 0.050 4.690 4.640 -0.002 0.000 0.227 453 D C 0.086 176.535 176.300 0.248 0.000 0.995 453 D CA 0.836 54.902 54.000 0.109 0.000 0.928 453 D CB -0.634 40.183 40.800 0.027 0.000 0.887 453 D HN 0.453 nan 8.370 nan 0.000 0.529 454 D N -0.057 120.493 120.400 0.250 0.000 2.308 454 D HA 0.603 5.242 4.640 -0.002 0.000 0.242 454 D C -1.017 175.505 176.300 0.370 0.000 1.059 454 D CA -0.609 53.564 54.000 0.288 0.000 0.830 454 D CB 1.488 42.419 40.800 0.218 0.000 1.161 454 D HN 0.189 nan 8.370 nan 0.000 0.494 455 A N 3.222 126.132 122.820 0.149 0.000 2.586 455 A HA 0.714 5.033 4.320 -0.002 0.000 0.290 455 A C -1.475 175.884 177.584 -0.375 0.000 1.086 455 A CA -0.752 51.132 52.037 -0.254 0.000 0.665 455 A CB 1.295 20.020 19.000 -0.459 0.000 1.279 455 A HN 0.494 nan 8.150 nan 0.000 0.423 456 M N 1.452 120.746 119.600 -0.510 0.000 2.327 456 M HA 0.448 4.927 4.480 -0.002 0.000 0.298 456 M C -1.433 174.787 176.300 -0.135 0.000 1.065 456 M CA -0.214 54.959 55.300 -0.211 0.000 0.916 456 M CB 1.856 34.374 32.600 -0.137 0.000 1.630 456 M HN 0.567 nan 8.290 nan 0.000 0.442 457 L N 2.021 123.144 121.223 -0.166 0.000 2.309 457 L HA 0.841 5.180 4.340 -0.002 0.000 0.282 457 L C 0.410 176.819 176.870 -0.768 0.000 1.036 457 L CA -0.646 53.925 54.840 -0.448 0.000 0.806 457 L CB 1.660 43.534 42.059 -0.309 0.000 1.220 457 L HN 0.820 nan 8.230 nan 0.000 0.429 458 G N 1.858 109.700 108.800 -1.597 0.000 2.498 458 G HA2 0.627 4.586 3.960 -0.002 0.000 0.312 458 G HA3 0.627 4.586 3.960 -0.002 0.000 0.312 458 G C -1.921 172.081 174.900 -1.497 0.000 1.230 458 G CA -0.343 43.557 45.100 -1.999 0.000 0.968 458 G HN 0.483 nan 8.290 nan 0.000 0.481 459 W N 0.932 121.856 121.300 -0.627 0.000 3.129 459 W HA 0.429 5.088 4.660 -0.002 0.000 0.333 459 W C 0.148 176.569 176.519 -0.163 0.000 1.141 459 W CA -0.581 56.585 57.345 -0.298 0.000 1.224 459 W CB 2.373 31.722 29.460 -0.186 0.000 1.393 459 W HN 0.830 nan 8.180 nan 0.000 0.499 460 T N -0.584 114.026 114.554 0.093 0.000 2.889 460 T HA 0.466 4.815 4.350 -0.002 0.000 0.278 460 T C 0.187 174.983 174.700 0.160 0.000 0.995 460 T CA -0.878 61.302 62.100 0.133 0.000 0.966 460 T CB 1.742 70.669 68.868 0.098 0.000 1.237 460 T HN 0.065 nan 8.240 nan 0.000 0.591 461 K N 0.705 121.186 120.400 0.135 0.000 2.382 461 K HA 0.579 4.898 4.320 -0.002 0.000 0.275 461 K C 0.543 177.209 176.600 0.111 0.000 1.009 461 K CA 0.310 56.669 56.287 0.119 0.000 0.970 461 K CB 0.586 33.142 32.500 0.093 0.000 0.934 461 K HN 1.067 nan 8.250 nan 0.000 0.479 462 G N 1.163 110.028 108.800 0.107 0.000 2.327 462 G HA2 0.020 3.979 3.960 -0.002 0.000 0.291 462 G HA3 0.020 3.979 3.960 -0.002 0.000 0.291 462 G C 0.143 175.093 174.900 0.083 0.000 1.290 462 G CA -0.823 44.332 45.100 0.091 0.000 0.857 462 G HN 0.473 nan 8.290 nan 0.000 0.520 463 R N -0.247 120.270 120.500 0.028 0.000 2.090 463 R HA 0.097 4.436 4.340 -0.002 0.000 0.228 463 R C 2.938 179.344 176.300 0.176 0.000 1.110 463 R CA 1.678 57.774 56.100 -0.007 0.000 0.973 463 R CB -0.305 29.794 30.300 -0.337 0.000 0.869 463 R HN 0.566 nan 8.270 nan 0.000 0.440 464 A N 1.378 124.411 122.820 0.355 0.000 1.972 464 A HA -0.159 4.160 4.320 -0.002 0.000 0.219 464 A C 2.013 179.751 177.584 0.256 0.000 1.169 464 A CA 0.936 53.213 52.037 0.400 0.000 0.635 464 A CB -0.431 18.857 19.000 0.479 0.000 0.810 464 A HN 0.209 nan 8.150 nan 0.000 0.446 465 L N -0.118 121.240 121.223 0.225 0.000 2.051 465 L HA -0.166 4.173 4.340 -0.002 0.000 0.214 465 L C 2.450 179.329 176.870 0.014 0.000 1.076 465 L CA 2.302 57.195 54.840 0.089 0.000 0.758 465 L CB -0.838 41.312 42.059 0.151 0.000 0.890 465 L HN 0.235 nan 8.230 nan 0.000 0.433 466 V N -0.357 119.600 119.914 0.072 0.000 2.427 466 V HA -0.132 3.987 4.120 -0.002 0.000 0.248 466 V C 2.408 178.512 176.094 0.017 0.000 1.051 466 V CA 1.826 64.169 62.300 0.072 0.000 1.048 466 V CB -0.724 31.126 31.823 0.046 0.000 0.666 466 V HN 0.596 nan 8.190 nan 0.000 0.456 467 G N -0.458 108.343 108.800 0.002 0.000 2.418 467 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.217 467 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.217 467 G C 1.618 176.408 174.900 -0.184 0.000 1.158 467 G CA 0.848 45.943 45.100 -0.008 0.000 0.771 467 G HN 0.690 nan 8.290 nan 0.000 0.545 468 G N 0.218 108.709 108.800 -0.515 0.000 2.529 468 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.219 468 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.219 468 G C 1.637 176.046 174.900 -0.819 0.000 1.177 468 G CA 1.242 45.538 45.100 -1.339 0.000 0.773 468 G HN 0.528 nan 8.290 nan 0.000 0.573 469 H N 0.174 118.999 119.070 -0.408 0.000 2.421 469 H HA 0.016 4.571 4.556 -0.002 0.000 0.298 469 H C 2.836 178.098 175.328 -0.111 0.000 1.087 469 H CA 1.243 57.175 56.048 -0.194 0.000 1.330 469 H CB 0.010 29.682 29.762 -0.149 0.000 1.388 469 H HN 0.308 nan 8.280 nan 0.000 0.526 470 R N 0.113 120.612 120.500 -0.002 0.000 2.066 470 R HA -0.114 4.225 4.340 -0.002 0.000 0.232 470 R C 2.376 178.669 176.300 -0.012 0.000 1.131 470 R CA 0.772 56.876 56.100 0.006 0.000 0.955 470 R CB -0.324 29.985 30.300 0.015 0.000 0.851 470 R HN 0.119 nan 8.270 nan 0.000 0.432 471 L N 0.470 121.654 121.223 -0.066 0.000 2.012 471 L HA -0.197 4.142 4.340 -0.002 0.000 0.210 471 L C 2.037 178.936 176.870 0.049 0.000 1.073 471 L CA 1.706 56.504 54.840 -0.070 0.000 0.748 471 L CB -0.870 41.143 42.059 -0.076 0.000 0.891 471 L HN 0.075 nan 8.230 nan 0.000 0.431 472 F N 0.786 120.627 119.950 -0.181 0.000 2.120 472 F HA -0.243 4.283 4.527 -0.002 0.000 0.300 472 F C 2.538 178.341 175.800 0.004 0.000 1.095 472 F CA 1.955 59.904 58.000 -0.085 0.000 1.249 472 F CB -0.691 38.225 39.000 -0.139 0.000 0.995 472 F HN 0.298 nan 8.300 nan 0.000 0.480 473 E N 0.108 120.380 120.200 0.121 0.000 2.077 473 E HA -0.251 4.098 4.350 -0.002 0.000 0.193 473 E C 2.457 179.056 176.600 -0.002 0.000 0.989 473 E CA 1.591 58.008 56.400 0.029 0.000 0.800 473 E CB -0.504 29.211 29.700 0.025 0.000 0.746 473 E HN 0.467 nan 8.360 nan 0.000 0.452 474 M N -0.272 119.337 119.600 0.014 0.000 2.082 474 M HA -0.229 4.250 4.480 -0.002 0.000 0.258 474 M C 2.009 178.330 176.300 0.034 0.000 1.071 474 M CA 1.701 57.000 55.300 -0.001 0.000 1.103 474 M CB -0.246 32.321 32.600 -0.056 0.000 1.307 474 M HN 0.201 nan 8.290 nan 0.000 0.409 475 L N -0.048 121.231 121.223 0.095 0.000 2.089 475 L HA -0.306 4.033 4.340 -0.002 0.000 0.213 475 L C 2.573 179.533 176.870 0.150 0.000 1.079 475 L CA 1.721 56.678 54.840 0.195 0.000 0.758 475 L CB -0.911 41.347 42.059 0.331 0.000 0.891 475 L HN 0.409 nan 8.230 nan 0.000 0.433 476 K N 0.545 120.887 120.400 -0.095 0.000 2.002 476 K HA -0.214 4.105 4.320 -0.002 0.000 0.209 476 K C 1.987 178.529 176.600 -0.096 0.000 1.048 476 K CA 1.704 57.798 56.287 -0.322 0.000 0.930 476 K CB -0.042 32.071 32.500 -0.645 0.000 0.714 476 K HN 0.292 nan 8.250 nan 0.000 0.438 477 E N -0.614 119.542 120.200 -0.074 0.000 2.209 477 E HA -0.116 4.233 4.350 -0.002 0.000 0.196 477 E C 0.767 177.381 176.600 0.024 0.000 0.993 477 E CA 0.674 57.057 56.400 -0.030 0.000 0.819 477 E CB -0.202 29.484 29.700 -0.024 0.000 0.745 477 E HN 0.627 nan 8.360 nan 0.000 0.477 478 G N 1.274 110.112 108.800 0.065 0.000 2.390 478 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.299 478 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.299 478 G C 0.565 175.499 174.900 0.056 0.000 1.002 478 G CA 1.155 46.309 45.100 0.090 0.000 0.979 478 G HN 0.278 nan 8.290 nan 0.000 0.513 479 K N -1.664 118.760 120.400 0.040 0.000 2.367 479 K HA 0.369 4.688 4.320 -0.002 0.000 0.195 479 K C 0.555 177.176 176.600 0.035 0.000 1.060 479 K CA 0.307 56.613 56.287 0.032 0.000 1.022 479 K CB 1.149 33.662 32.500 0.021 0.000 0.894 479 K HN 0.264 nan 8.250 nan 0.000 0.540 480 V N 1.917 121.854 119.914 0.039 0.000 2.638 480 V HA 0.146 4.265 4.120 -0.002 0.000 0.306 480 V C -1.102 175.021 176.094 0.049 0.000 1.052 480 V CA -1.257 61.068 62.300 0.041 0.000 0.885 480 V CB 1.715 33.562 31.823 0.041 0.000 0.999 480 V HN 0.158 nan 8.190 nan 0.000 0.424 481 N N 6.621 125.351 118.700 0.051 0.000 2.430 481 N HA 0.319 5.058 4.740 -0.002 0.000 0.265 481 N C -1.105 174.454 175.510 0.082 0.000 1.100 481 N CA -1.514 51.571 53.050 0.059 0.000 0.961 481 N CB 1.473 39.982 38.487 0.037 0.000 1.075 481 N HN 0.392 nan 8.380 nan 0.000 0.478 482 P HA 0.009 nan 4.420 nan 0.000 0.241 482 P C -0.359 177.109 177.300 0.281 0.000 1.191 482 P CA 0.316 63.528 63.100 0.186 0.000 0.771 482 P CB 0.425 32.136 31.700 0.019 0.000 0.929 483 S N 0.840 116.639 115.700 0.164 0.000 2.536 483 S HA 0.523 4.992 4.470 -0.002 0.000 0.298 483 S C -2.244 172.365 174.600 0.016 0.000 1.083 483 S CA -1.847 56.436 58.200 0.138 0.000 0.995 483 S CB 1.791 65.105 63.200 0.190 0.000 1.058 483 S HN -0.129 nan 8.310 nan 0.000 0.488 484 P HA 0.196 nan 4.420 nan 0.000 0.261 484 P C -0.128 176.965 177.300 -0.346 0.000 1.268 484 P CA 0.228 63.143 63.100 -0.309 0.000 0.833 484 P CB 0.042 31.437 31.700 -0.508 0.000 1.231 485 Y N -1.066 119.294 120.300 0.100 0.000 2.559 485 Y HA 0.330 4.879 4.550 -0.002 0.000 0.279 485 Y C 1.586 177.495 175.900 0.016 0.000 1.117 485 Y CA 0.466 58.639 58.100 0.122 0.000 1.263 485 Y CB 0.187 38.768 38.460 0.201 0.000 1.230 485 Y HN -0.180 nan 8.280 nan 0.000 0.528 486 M N -0.603 119.068 119.600 0.118 0.000 2.716 486 M HA 0.299 4.778 4.480 -0.002 0.000 0.278 486 M C -1.041 175.195 176.300 -0.106 0.000 1.281 486 M CA -0.871 54.389 55.300 -0.067 0.000 0.814 486 M CB 1.833 34.434 32.600 0.001 0.000 1.719 486 M HN -0.240 nan 8.290 nan 0.000 0.457 487 K N 2.026 122.291 120.400 -0.226 0.000 2.250 487 K HA 0.485 4.804 4.320 -0.002 0.000 0.280 487 K C -0.881 175.725 176.600 0.010 0.000 1.098 487 K CA -0.282 55.932 56.287 -0.121 0.000 0.916 487 K CB 0.399 32.783 32.500 -0.195 0.000 1.209 487 K HN 0.372 nan 8.250 nan 0.000 0.461 488 I N 1.601 122.216 120.570 0.075 0.000 2.460 488 I HA 0.303 4.472 4.170 -0.002 0.000 0.298 488 I C 0.759 176.969 176.117 0.154 0.000 0.989 488 I CA -0.448 60.943 61.300 0.151 0.000 1.173 488 I CB 1.197 39.326 38.000 0.215 0.000 1.338 488 I HN 0.579 nan 8.210 nan 0.000 0.456 489 S N 4.860 120.665 115.700 0.176 0.000 2.880 489 S HA 0.671 5.140 4.470 -0.002 0.000 0.308 489 S C -1.100 173.652 174.600 0.253 0.000 1.195 489 S CA -0.672 57.645 58.200 0.196 0.000 0.866 489 S CB 1.535 64.806 63.200 0.118 0.000 1.254 489 S HN 0.521 nan 8.310 nan 0.000 0.571 490 Y N 0.423 120.833 120.300 0.184 0.000 2.419 490 Y HA 0.727 5.276 4.550 -0.002 0.000 0.328 490 Y C -0.051 175.973 175.900 0.208 0.000 1.162 490 Y CA -0.957 57.271 58.100 0.213 0.000 1.174 490 Y CB 0.676 39.321 38.460 0.308 0.000 1.228 490 Y HN 0.839 nan 8.280 nan 0.000 0.473 491 E N 1.916 122.179 120.200 0.105 0.000 2.257 491 E HA 0.020 4.369 4.350 -0.002 0.000 0.278 491 E C -1.301 175.297 176.600 -0.004 0.000 1.049 491 E CA -0.469 55.940 56.400 0.016 0.000 0.876 491 E CB 0.197 29.976 29.700 0.130 0.000 1.035 491 E HN 0.805 nan 8.360 nan 0.000 0.419 492 H N 3.440 122.365 119.070 -0.242 0.000 2.934 492 H HA 0.302 4.857 4.556 -0.002 0.000 0.273 492 H C 0.169 175.558 175.328 0.102 0.000 1.121 492 H CA 1.048 57.073 56.048 -0.039 0.000 1.451 492 H CB 0.286 29.983 29.762 -0.110 0.000 1.469 492 H HN 0.724 nan 8.280 nan 0.000 0.476 493 G N 3.780 112.522 108.800 -0.097 0.000 2.742 493 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.257 493 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.257 493 G C 0.461 175.424 174.900 0.104 0.000 1.143 493 G CA -0.252 44.837 45.100 -0.018 0.000 1.064 493 G HN 0.988 nan 8.290 nan 0.000 0.529 494 G N -0.391 108.521 108.800 0.186 0.000 2.432 494 G HA2 0.791 4.750 3.960 -0.002 0.000 0.239 494 G HA3 0.791 4.750 3.960 -0.002 0.000 0.239 494 G C 0.376 175.404 174.900 0.214 0.000 1.291 494 G CA 0.689 45.918 45.100 0.216 0.000 0.863 494 G HN 1.980 nan 8.290 nan 0.000 0.560 495 A N 1.029 123.976 122.820 0.211 0.000 2.612 495 A HA 0.723 5.042 4.320 -0.002 0.000 0.293 495 A C -1.820 175.922 177.584 0.262 0.000 1.075 495 A CA -0.636 51.542 52.037 0.235 0.000 0.680 495 A CB 1.682 20.776 19.000 0.156 0.000 1.279 495 A HN 1.225 nan 8.150 nan 0.000 0.411 496 F N 1.639 121.577 119.950 -0.020 0.000 2.539 496 F HA 0.600 5.126 4.527 -0.001 0.000 0.318 496 F C -0.026 175.614 175.800 -0.266 0.000 1.135 496 F CA -1.046 56.858 58.000 -0.160 0.000 0.915 496 F CB 1.415 40.279 39.000 -0.227 0.000 1.176 496 F HN 0.497 nan 8.300 nan 0.000 0.440 497 L N 5.989 126.783 121.223 -0.714 0.000 3.634 497 L HA -0.141 4.198 4.340 -0.002 0.000 0.423 497 L C 1.146 177.788 176.870 -0.380 0.000 1.253 497 L CA 1.519 55.946 54.840 -0.689 0.000 0.885 497 L CB -1.625 39.801 42.059 -1.055 0.000 1.789 497 L HN 1.296 nan 8.230 nan 0.000 0.904 498 G N -2.380 106.290 108.800 -0.216 0.000 2.336 498 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.233 498 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.233 498 G C 0.288 175.122 174.900 -0.110 0.000 1.053 498 G CA 0.236 45.255 45.100 -0.136 0.000 0.625 498 G HN 0.471 nan 8.290 nan 0.000 0.511 499 D N 0.913 121.207 120.400 -0.178 0.000 2.264 499 D HA 0.552 5.191 4.640 -0.002 0.000 0.249 499 D C 0.698 177.058 176.300 0.100 0.000 1.070 499 D CA -0.175 53.774 54.000 -0.084 0.000 0.912 499 D CB 1.304 41.991 40.800 -0.188 0.000 1.193 499 D HN 0.314 nan 8.370 nan 0.000 0.427 500 I N 1.744 122.420 120.570 0.178 0.000 2.396 500 I HA 0.055 4.224 4.170 -0.002 0.000 0.292 500 I C -0.047 176.230 176.117 0.268 0.000 0.999 500 I CA -0.872 60.556 61.300 0.213 0.000 1.310 500 I CB 1.389 39.464 38.000 0.125 0.000 1.404 500 I HN 0.037 nan 8.210 nan 0.000 0.496 501 L N 7.949 129.280 121.223 0.180 0.000 2.282 501 L HA 0.278 4.617 4.340 -0.002 0.000 0.287 501 L C -0.609 176.152 176.870 -0.181 0.000 1.075 501 L CA -0.319 54.406 54.840 -0.193 0.000 0.839 501 L CB 0.568 42.475 42.059 -0.253 0.000 1.219 501 L HN 0.379 nan 8.230 nan 0.000 0.434 502 L N 6.408 127.513 121.223 -0.197 0.000 2.312 502 L HA 0.355 4.694 4.340 -0.002 0.000 0.287 502 L C -0.699 176.115 176.870 -0.093 0.000 1.091 502 L CA 0.161 54.965 54.840 -0.060 0.000 0.846 502 L CB -0.187 41.859 42.059 -0.022 0.000 1.219 502 L HN 0.445 nan 8.230 nan 0.000 0.439 503 Y N 2.847 123.176 120.300 0.048 0.000 2.295 503 Y HA 0.334 4.883 4.550 -0.002 0.000 0.331 503 Y C 0.763 176.716 175.900 0.088 0.000 1.311 503 Y CA -0.220 57.913 58.100 0.055 0.000 1.430 503 Y CB 0.687 39.200 38.460 0.089 0.000 1.339 503 Y HN 0.683 nan 8.280 nan 0.000 0.552 504 D N -1.802 118.748 120.400 0.250 0.000 2.621 504 D HA 0.129 4.768 4.640 -0.002 0.000 0.255 504 D C 0.782 177.153 176.300 0.118 0.000 1.122 504 D CA -0.152 53.943 54.000 0.157 0.000 1.096 504 D CB 0.725 41.584 40.800 0.098 0.000 1.282 504 D HN 0.482 nan 8.370 nan 0.000 0.619 505 S N -0.528 115.210 115.700 0.064 0.000 2.419 505 S HA -0.207 4.262 4.470 -0.002 0.000 0.235 505 S C 1.582 176.187 174.600 0.008 0.000 1.019 505 S CA 0.557 58.763 58.200 0.010 0.000 0.982 505 S CB -0.394 62.807 63.200 0.001 0.000 0.789 505 S HN 0.406 nan 8.310 nan 0.000 0.490 506 R N 0.926 121.450 120.500 0.040 0.000 2.092 506 R HA 0.123 4.462 4.340 -0.002 0.000 0.231 506 R C 0.324 176.648 176.300 0.040 0.000 1.119 506 R CA 0.510 56.633 56.100 0.038 0.000 0.970 506 R CB -0.590 29.744 30.300 0.057 0.000 0.864 506 R HN 0.377 nan 8.270 nan 0.000 0.440 507 R N 1.261 121.815 120.500 0.089 0.000 3.261 507 R HA -0.139 4.200 4.340 -0.002 0.000 0.257 507 R C -1.027 175.322 176.300 0.082 0.000 1.014 507 R CA 0.741 56.862 56.100 0.034 0.000 0.681 507 R CB -1.945 28.285 30.300 -0.118 0.000 1.155 507 R HN 0.521 nan 8.270 nan 0.000 0.424 508 E N -0.968 119.412 120.200 0.300 0.000 2.331 508 E HA 0.236 4.585 4.350 -0.002 0.000 0.275 508 E C -2.105 174.698 176.600 0.338 0.000 0.895 508 E CA -2.156 54.414 56.400 0.284 0.000 0.753 508 E CB 1.865 31.662 29.700 0.161 0.000 1.216 508 E HN -0.242 nan 8.360 nan 0.000 0.434 509 P HA -0.256 nan 4.420 nan 0.000 0.217 509 P C 1.386 178.685 177.300 -0.002 0.000 1.151 509 P CA 1.831 64.995 63.100 0.106 0.000 0.849 509 P CB 0.088 31.897 31.700 0.180 0.000 0.787 510 G N -0.168 108.671 108.800 0.065 0.000 2.574 510 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.220 510 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.220 510 G C 1.057 175.951 174.900 -0.010 0.000 1.173 510 G CA 1.541 46.658 45.100 0.029 0.000 0.772 510 G HN 0.461 nan 8.290 nan 0.000 0.585 511 S N -0.304 115.400 115.700 0.007 0.000 2.526 511 S HA 0.759 5.228 4.470 -0.002 0.000 0.245 511 S C 0.223 174.789 174.600 -0.056 0.000 1.103 511 S CA -0.011 58.182 58.200 -0.012 0.000 1.095 511 S CB 0.830 64.046 63.200 0.027 0.000 0.826 511 S HN 0.665 nan 8.310 nan 0.000 0.468 512 A N 1.722 124.442 122.820 -0.166 0.000 2.311 512 A HA 0.919 5.238 4.320 -0.002 0.000 0.334 512 A C -0.342 177.025 177.584 -0.361 0.000 1.139 512 A CA -1.085 50.749 52.037 -0.338 0.000 0.830 512 A CB 0.667 19.237 19.000 -0.717 0.000 1.234 512 A HN 0.811 nan 8.150 nan 0.000 0.483 513 I N -2.476 117.870 120.570 -0.374 0.000 2.686 513 I HA 0.627 4.796 4.170 -0.002 0.000 0.295 513 I C -1.053 174.850 176.117 -0.357 0.000 1.114 513 I CA -0.612 60.497 61.300 -0.319 0.000 1.038 513 I CB 1.758 39.672 38.000 -0.144 0.000 1.238 513 I HN 0.481 nan 8.210 nan 0.000 0.420 514 F N 4.413 124.290 119.950 -0.123 0.000 2.412 514 F HA 0.647 5.173 4.527 -0.002 0.000 0.348 514 F C 0.432 176.178 175.800 -0.090 0.000 1.102 514 F CA -0.316 57.620 58.000 -0.106 0.000 1.196 514 F CB 1.662 40.598 39.000 -0.106 0.000 1.144 514 F HN 0.442 nan 8.300 nan 0.000 0.541 515 V N 0.471 120.477 119.914 0.153 0.000 3.114 515 V HA 0.803 4.922 4.120 -0.002 0.000 0.308 515 V C 0.014 176.126 176.094 0.030 0.000 1.168 515 V CA -1.208 61.122 62.300 0.050 0.000 1.015 515 V CB 0.872 32.716 31.823 0.035 0.000 1.050 515 V HN 0.879 nan 8.190 nan 0.000 0.433 516 G N 0.742 109.519 108.800 -0.038 0.000 2.630 516 G HA2 0.176 4.135 3.960 -0.002 0.000 0.236 516 G HA3 0.176 4.135 3.960 -0.002 0.000 0.236 516 G C 0.032 174.985 174.900 0.088 0.000 1.248 516 G CA -0.090 44.965 45.100 -0.075 0.000 0.844 516 G HN 0.979 nan 8.290 nan 0.000 0.588 517 N N 1.125 119.905 118.700 0.133 0.000 2.767 517 N HA 0.040 4.779 4.740 -0.002 0.000 0.238 517 N C 1.455 177.145 175.510 0.300 0.000 1.083 517 N CA -0.734 52.426 53.050 0.183 0.000 0.964 517 N CB 0.499 39.063 38.487 0.129 0.000 1.252 517 N HN 0.279 nan 8.380 nan 0.000 0.512 518 I N 3.339 124.070 120.570 0.269 0.000 2.147 518 I HA -0.388 3.781 4.170 -0.002 0.000 0.245 518 I C 1.719 177.955 176.117 0.198 0.000 1.059 518 I CA 1.484 62.919 61.300 0.226 0.000 1.320 518 I CB -0.296 37.822 38.000 0.197 0.000 1.021 518 I HN 0.542 nan 8.210 nan 0.000 0.415 519 N N -0.070 118.746 118.700 0.193 0.000 2.192 519 N HA -0.157 4.582 4.740 -0.002 0.000 0.188 519 N C 1.927 177.526 175.510 0.148 0.000 1.013 519 N CA 1.687 54.832 53.050 0.159 0.000 0.863 519 N CB -0.273 38.200 38.487 -0.023 0.000 0.990 519 N HN 0.400 nan 8.380 nan 0.000 0.430 520 S N 1.013 116.811 115.700 0.163 0.000 2.423 520 S HA -0.025 4.444 4.470 -0.002 0.000 0.231 520 S C 1.873 176.544 174.600 0.119 0.000 1.014 520 S CA 0.488 58.796 58.200 0.180 0.000 0.965 520 S CB 0.000 63.354 63.200 0.256 0.000 0.785 520 S HN 0.361 nan 8.310 nan 0.000 0.495 521 M N 1.022 120.549 119.600 -0.121 0.000 2.099 521 M HA -0.074 4.405 4.480 -0.002 0.000 0.262 521 M C 1.654 177.857 176.300 -0.163 0.000 1.067 521 M CA 1.513 56.500 55.300 -0.522 0.000 1.124 521 M CB -0.233 31.657 32.600 -1.184 0.000 1.353 521 M HN 0.260 nan 8.290 nan 0.000 0.410 522 L N 0.168 121.393 121.223 0.003 0.000 2.027 522 L HA -0.228 4.111 4.340 -0.002 0.000 0.206 522 L C 2.196 179.179 176.870 0.188 0.000 1.074 522 L CA 0.992 55.938 54.840 0.176 0.000 0.745 522 L CB -1.145 41.108 42.059 0.323 0.000 0.898 522 L HN 0.322 nan 8.230 nan 0.000 0.433 523 N N 0.592 119.394 118.700 0.169 0.000 2.018 523 N HA -0.210 4.529 4.740 -0.002 0.000 0.196 523 N C 1.577 177.159 175.510 0.119 0.000 1.043 523 N CA 1.641 54.789 53.050 0.164 0.000 0.856 523 N CB -0.650 37.915 38.487 0.130 0.000 1.042 523 N HN 0.357 nan 8.380 nan 0.000 0.423 524 N N 0.493 119.240 118.700 0.078 0.000 2.094 524 N HA -0.184 4.555 4.740 -0.002 0.000 0.191 524 N C 1.544 177.061 175.510 0.012 0.000 1.023 524 N CA 1.036 54.122 53.050 0.059 0.000 0.857 524 N CB -0.109 38.429 38.487 0.085 0.000 1.013 524 N HN 0.458 nan 8.380 nan 0.000 0.426 525 Q N -0.833 118.900 119.800 -0.112 0.000 2.245 525 Q HA 0.007 4.346 4.340 -0.002 0.000 0.201 525 Q C 0.764 176.549 176.000 -0.358 0.000 0.955 525 Q CA 0.903 56.530 55.803 -0.293 0.000 0.870 525 Q CB 0.270 28.615 28.738 -0.655 0.000 0.945 525 Q HN 0.436 nan 8.270 nan 0.000 0.461 526 F N -1.890 118.301 119.950 0.401 0.000 2.728 526 F HA 0.254 4.780 4.527 -0.002 0.000 0.314 526 F C 0.675 176.726 175.800 0.418 0.000 1.094 526 F CA -0.297 58.030 58.000 0.544 0.000 1.217 526 F CB 1.250 40.587 39.000 0.561 0.000 1.056 526 F HN -0.312 nan 8.300 nan 0.000 0.577 527 S N 1.991 117.906 115.700 0.358 0.000 2.204 527 S HA 0.249 4.718 4.470 -0.002 0.000 0.178 527 S C -2.540 172.148 174.600 0.147 0.000 1.493 527 S CA -1.090 57.271 58.200 0.268 0.000 1.266 527 S CB 0.339 63.686 63.200 0.246 0.000 1.232 527 S HN -0.135 nan 8.310 nan 0.000 0.406 528 P HA 0.163 nan 4.420 nan 0.000 0.274 528 P C 0.596 177.908 177.300 0.020 0.000 1.231 528 P CA -0.178 62.949 63.100 0.044 0.000 0.790 528 P CB 0.966 32.654 31.700 -0.021 0.000 0.951 529 E N 0.728 120.926 120.200 -0.005 0.000 2.285 529 E HA -0.071 4.278 4.350 -0.002 0.000 0.194 529 E C -0.370 176.014 176.600 -0.359 0.000 0.997 529 E CA 0.876 57.171 56.400 -0.175 0.000 0.845 529 E CB 0.116 29.704 29.700 -0.186 0.000 0.782 529 E HN 0.484 nan 8.360 nan 0.000 0.491 530 Y N -1.556 118.729 120.300 -0.025 0.000 2.524 530 Y HA 0.455 5.004 4.550 -0.002 0.000 0.347 530 Y C 0.747 176.614 175.900 -0.054 0.000 1.005 530 Y CA -0.665 57.412 58.100 -0.038 0.000 1.025 530 Y CB 1.628 40.064 38.460 -0.040 0.000 1.275 530 Y HN -0.150 nan 8.280 nan 0.000 0.460 531 G N 0.149 109.022 108.800 0.121 0.000 2.570 531 G HA2 0.329 4.288 3.960 -0.002 0.000 0.276 531 G HA3 0.329 4.288 3.960 -0.002 0.000 0.276 531 G C 0.690 175.601 174.900 0.019 0.000 1.346 531 G CA -0.037 45.084 45.100 0.036 0.000 1.034 531 G HN 0.795 nan 8.290 nan 0.000 0.512 532 V N -3.428 116.478 119.914 -0.013 0.000 3.649 532 V HA 0.210 4.329 4.120 -0.002 0.000 0.275 532 V C 0.665 176.730 176.094 -0.049 0.000 1.281 532 V CA 0.637 62.917 62.300 -0.033 0.000 1.143 532 V CB -1.367 30.447 31.823 -0.015 0.000 0.892 532 V HN 0.737 nan 8.190 nan 0.000 0.441 533 Q N 1.700 121.482 119.800 -0.029 0.000 2.437 533 Q HA -0.230 4.109 4.340 -0.002 0.000 0.354 533 Q C 1.444 177.417 176.000 -0.046 0.000 1.402 533 Q CA 0.630 56.411 55.803 -0.036 0.000 1.020 533 Q CB -1.680 27.024 28.738 -0.056 0.000 1.220 533 Q HN 1.002 nan 8.270 nan 0.000 0.368 534 S N -1.827 113.855 115.700 -0.029 0.000 2.447 534 S HA -0.076 4.393 4.470 -0.002 0.000 0.233 534 S C 1.752 176.339 174.600 -0.021 0.000 1.006 534 S CA 0.627 58.810 58.200 -0.028 0.000 0.957 534 S CB 0.108 63.302 63.200 -0.010 0.000 0.773 534 S HN 0.681 nan 8.310 nan 0.000 0.507 535 G N 0.725 109.516 108.800 -0.016 0.000 2.679 535 G HA2 0.197 4.156 3.960 -0.002 0.000 0.212 535 G HA3 0.197 4.156 3.960 -0.002 0.000 0.212 535 G C 0.257 175.149 174.900 -0.014 0.000 1.137 535 G CA 0.059 45.153 45.100 -0.010 0.000 0.787 535 G HN 0.444 nan 8.290 nan 0.000 0.534 536 V N 1.615 121.514 119.914 -0.026 0.000 2.383 536 V HA 0.262 4.381 4.120 -0.002 0.000 0.275 536 V C 1.135 177.217 176.094 -0.020 0.000 1.036 536 V CA -0.874 61.410 62.300 -0.027 0.000 0.889 536 V CB 1.454 33.249 31.823 -0.047 0.000 0.985 536 V HN 0.183 nan 8.190 nan 0.000 0.459 537 R N 2.023 122.524 120.500 0.003 0.000 2.064 537 R HA -0.017 4.322 4.340 -0.002 0.000 0.228 537 R C 0.832 177.172 176.300 0.067 0.000 1.144 537 R CA 0.753 56.870 56.100 0.029 0.000 0.932 537 R CB -0.336 29.982 30.300 0.030 0.000 0.833 537 R HN 0.736 nan 8.270 nan 0.000 0.429 538 D N 1.406 121.847 120.400 0.070 0.000 2.363 538 D HA -0.009 4.630 4.640 -0.002 0.000 0.263 538 D C 0.838 177.168 176.300 0.050 0.000 1.258 538 D CA 0.209 54.292 54.000 0.139 0.000 0.907 538 D CB 0.625 41.489 40.800 0.107 0.000 1.107 538 D HN 0.025 nan 8.370 nan 0.000 0.495 539 R N 1.638 122.137 120.500 -0.002 0.000 2.092 539 R HA -0.113 4.226 4.340 -0.002 0.000 0.231 539 R C 2.261 178.388 176.300 -0.289 0.000 1.119 539 R CA 1.245 57.141 56.100 -0.340 0.000 0.970 539 R CB -0.165 29.650 30.300 -0.808 0.000 0.864 539 R HN 0.504 nan 8.270 nan 0.000 0.440 540 S N 1.183 116.818 115.700 -0.109 0.000 2.440 540 S HA -0.162 4.307 4.470 -0.002 0.000 0.240 540 S C 1.633 176.209 174.600 -0.041 0.000 1.014 540 S CA 1.156 59.346 58.200 -0.015 0.000 0.980 540 S CB -0.090 63.183 63.200 0.121 0.000 0.775 540 S HN 0.286 nan 8.310 nan 0.000 0.499 541 K N 0.430 120.802 120.400 -0.045 0.000 2.365 541 K HA 0.175 4.494 4.320 -0.002 0.000 0.197 541 K C 0.858 177.392 176.600 -0.109 0.000 1.042 541 K CA 0.004 56.257 56.287 -0.057 0.000 0.987 541 K CB 0.099 32.581 32.500 -0.030 0.000 0.779 541 K HN 0.378 nan 8.250 nan 0.000 0.484 542 R N 1.055 121.462 120.500 -0.154 0.000 2.738 542 R HA 0.056 4.395 4.340 -0.002 0.000 0.268 542 R C 1.245 177.413 176.300 -0.220 0.000 1.062 542 R CA -0.181 55.807 56.100 -0.187 0.000 1.158 542 R CB 0.460 30.625 30.300 -0.225 0.000 1.046 542 R HN -0.135 nan 8.270 nan 0.000 0.493 543 K N 1.669 121.899 120.400 -0.282 0.000 2.097 543 K HA -0.079 4.240 4.320 -0.002 0.000 0.205 543 K C 0.407 176.859 176.600 -0.247 0.000 1.050 543 K CA 1.434 57.478 56.287 -0.404 0.000 0.938 543 K CB 0.104 32.100 32.500 -0.839 0.000 0.718 543 K HN 0.386 nan 8.250 nan 0.000 0.442 544 R N 0.633 121.017 120.500 -0.192 0.000 2.477 544 R HA 0.159 4.498 4.340 -0.002 0.000 0.285 544 R C -2.063 174.099 176.300 -0.230 0.000 1.415 544 R CA -1.470 54.547 56.100 -0.138 0.000 1.446 544 R CB 1.154 31.411 30.300 -0.072 0.000 1.110 544 R HN -0.096 nan 8.270 nan 0.000 0.590 545 P HA -0.149 nan 4.420 nan 0.000 0.215 545 P C -0.274 176.330 177.300 -1.160 0.000 1.157 545 P CA 1.379 64.082 63.100 -0.662 0.000 0.874 545 P CB 0.268 31.771 31.700 -0.329 0.000 0.790 546 F N -3.891 116.000 119.950 -0.099 0.000 2.708 546 F HA 0.338 4.864 4.527 -0.002 0.000 0.344 546 F C -1.874 173.905 175.800 -0.035 0.000 1.447 546 F CA -2.074 55.876 58.000 -0.083 0.000 1.140 546 F CB 0.767 39.705 39.000 -0.103 0.000 1.657 546 F HN -0.113 nan 8.300 nan 0.000 0.598 547 P HA -0.258 nan 4.420 nan 0.000 0.214 547 P C 2.029 179.395 177.300 0.110 0.000 1.164 547 P CA 2.634 65.805 63.100 0.119 0.000 0.942 547 P CB 0.110 31.905 31.700 0.159 0.000 0.791 548 G N -0.373 108.445 108.800 0.031 0.000 2.596 548 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.223 548 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.223 548 G C 1.467 176.399 174.900 0.053 0.000 1.120 548 G CA 1.074 46.151 45.100 -0.037 0.000 0.752 548 G HN 0.261 nan 8.290 nan 0.000 0.596 549 L N 0.459 121.735 121.223 0.088 0.000 2.261 549 L HA -0.129 4.210 4.340 -0.002 0.000 0.216 549 L C 3.336 180.261 176.870 0.091 0.000 1.114 549 L CA 0.771 55.657 54.840 0.075 0.000 0.777 549 L CB -0.364 41.731 42.059 0.059 0.000 0.910 549 L HN 0.356 nan 8.230 nan 0.000 0.440 550 A N -0.442 122.453 122.820 0.124 0.000 1.902 550 A HA -0.267 4.052 4.320 -0.002 0.000 0.217 550 A C 2.156 179.820 177.584 0.133 0.000 1.181 550 A CA 1.198 53.309 52.037 0.125 0.000 0.623 550 A CB -0.941 18.153 19.000 0.156 0.000 0.818 550 A HN 0.640 nan 8.150 nan 0.000 0.443 551 W N 0.638 121.921 121.300 -0.029 0.000 2.305 551 W HA -0.336 4.323 4.660 -0.002 0.000 0.308 551 W C 2.454 178.965 176.519 -0.014 0.000 1.226 551 W CA 2.321 59.642 57.345 -0.041 0.000 1.253 551 W CB -0.290 29.098 29.460 -0.119 0.000 1.146 551 W HN 0.471 nan 8.180 nan 0.000 0.507 552 A N 0.527 123.416 122.820 0.115 0.000 1.865 552 A HA -0.282 4.037 4.320 -0.002 0.000 0.217 552 A C 2.012 179.570 177.584 -0.044 0.000 1.191 552 A CA 3.087 55.140 52.037 0.027 0.000 0.623 552 A CB -1.342 17.674 19.000 0.027 0.000 0.826 552 A HN 0.376 nan 8.150 nan 0.000 0.444 553 S N -0.802 114.875 115.700 -0.038 0.000 2.489 553 S HA -0.074 4.395 4.470 -0.002 0.000 0.228 553 S C 1.870 176.421 174.600 -0.081 0.000 0.995 553 S CA 1.152 59.313 58.200 -0.064 0.000 0.934 553 S CB -0.649 62.520 63.200 -0.052 0.000 0.771 553 S HN 0.611 nan 8.310 nan 0.000 0.522 554 M N 2.429 121.981 119.600 -0.081 0.000 2.706 554 M HA -0.331 4.148 4.480 -0.002 0.000 0.266 554 M C 2.218 178.476 176.300 -0.070 0.000 1.060 554 M CA 2.508 57.787 55.300 -0.036 0.000 1.070 554 M CB -0.440 32.006 32.600 -0.258 0.000 1.241 554 M HN 0.292 nan 8.290 nan 0.000 0.488 555 K N -0.325 119.977 120.400 -0.162 0.000 2.160 555 K HA -0.269 4.050 4.320 -0.002 0.000 0.206 555 K C 1.847 178.276 176.600 -0.286 0.000 1.047 555 K CA 2.140 58.261 56.287 -0.276 0.000 0.930 555 K CB -0.428 31.997 32.500 -0.126 0.000 0.720 555 K HN 0.614 nan 8.250 nan 0.000 0.450 556 D N -0.593 119.693 120.400 -0.191 0.000 2.117 556 D HA -0.104 4.535 4.640 -0.002 0.000 0.198 556 D C 1.361 177.523 176.300 -0.230 0.000 0.982 556 D CA 1.375 55.267 54.000 -0.181 0.000 0.828 556 D CB 0.199 40.916 40.800 -0.139 0.000 0.967 556 D HN 0.259 nan 8.370 nan 0.000 0.464 557 T N -0.807 113.586 114.554 -0.269 0.000 2.735 557 T HA -0.113 4.236 4.350 -0.002 0.000 0.256 557 T C 1.365 175.747 174.700 -0.531 0.000 1.042 557 T CA 0.958 62.787 62.100 -0.452 0.000 1.147 557 T CB -0.357 68.126 68.868 -0.642 0.000 0.865 557 T HN 0.221 nan 8.240 nan 0.000 0.421 558 Y N 0.830 120.969 120.300 -0.269 0.000 2.457 558 Y HA 0.423 4.972 4.550 -0.002 0.000 0.263 558 Y C 2.307 177.818 175.900 -0.648 0.000 1.164 558 Y CA -0.701 57.221 58.100 -0.296 0.000 1.274 558 Y CB -0.577 37.818 38.460 -0.108 0.000 1.097 558 Y HN 0.222 nan 8.280 nan 0.000 0.523 559 G N 0.842 109.238 108.800 -0.673 0.000 2.469 559 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.219 559 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.219 559 G C 1.730 176.435 174.900 -0.324 0.000 1.150 559 G CA 0.972 45.600 45.100 -0.788 0.000 0.763 559 G HN 0.449 nan 8.290 nan 0.000 0.561 560 A N -0.744 121.967 122.820 -0.181 0.000 2.252 560 A HA 0.309 4.628 4.320 -0.002 0.000 0.207 560 A C 0.919 178.502 177.584 -0.002 0.000 1.194 560 A CA -0.079 51.919 52.037 -0.065 0.000 0.809 560 A CB -0.686 18.279 19.000 -0.057 0.000 0.814 560 A HN 0.320 nan 8.150 nan 0.000 0.482 561 C N 0.724 120.040 119.300 0.026 0.000 2.629 561 C HA 0.219 4.678 4.460 -0.002 0.000 0.410 561 C C -0.582 174.477 174.990 0.115 0.000 1.339 561 C CA -0.625 58.452 59.018 0.098 0.000 1.810 561 C CB 0.345 28.187 27.740 0.171 0.000 2.549 561 C HN 0.448 nan 8.230 nan 0.000 0.589 562 P HA -0.162 nan 4.420 nan 0.000 0.218 562 P C 0.896 178.261 177.300 0.107 0.000 1.150 562 P CA 1.579 64.738 63.100 0.098 0.000 0.841 562 P CB -0.045 31.711 31.700 0.094 0.000 0.784 563 I N -6.901 113.714 120.570 0.075 0.000 3.974 563 I HA 0.192 4.361 4.170 -0.002 0.000 0.334 563 I C 1.873 177.968 176.117 -0.037 0.000 1.437 563 I CA -0.507 60.782 61.300 -0.018 0.000 1.113 563 I CB -0.647 37.201 38.000 -0.254 0.000 1.063 563 I HN -0.167 nan 8.210 nan 0.000 0.400 564 Y N 3.073 123.344 120.300 -0.049 0.000 1.967 564 Y HA -0.463 4.086 4.550 -0.002 0.000 0.260 564 Y C 2.853 178.726 175.900 -0.045 0.000 1.181 564 Y CA 3.071 61.147 58.100 -0.040 0.000 1.097 564 Y CB -0.187 38.274 38.460 0.002 0.000 0.934 564 Y HN 0.482 nan 8.280 nan 0.000 0.492 565 S N -0.403 115.162 115.700 -0.224 0.000 2.399 565 S HA -0.208 4.261 4.470 -0.002 0.000 0.231 565 S C 1.384 175.887 174.600 -0.162 0.000 1.022 565 S CA 1.578 59.608 58.200 -0.284 0.000 0.983 565 S CB -0.723 62.437 63.200 -0.068 0.000 0.803 565 S HN 0.622 nan 8.310 nan 0.000 0.480 566 D N 1.719 122.073 120.400 -0.077 0.000 2.117 566 D HA -0.043 4.596 4.640 -0.002 0.000 0.197 566 D C 2.001 178.261 176.300 -0.067 0.000 0.987 566 D CA 1.069 55.078 54.000 0.015 0.000 0.829 566 D CB -0.545 40.354 40.800 0.165 0.000 0.961 566 D HN 0.298 nan 8.370 nan 0.000 0.460 567 V N 0.699 120.467 119.914 -0.244 0.000 2.255 567 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 567 V C 2.480 178.504 176.094 -0.118 0.000 1.051 567 V CA 1.355 63.513 62.300 -0.237 0.000 1.018 567 V CB -0.596 31.056 31.823 -0.285 0.000 0.641 567 V HN 0.242 nan 8.190 nan 0.000 0.445 568 L N -0.434 120.676 121.223 -0.188 0.000 2.013 568 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 568 L C 2.600 179.484 176.870 0.022 0.000 1.073 568 L CA 1.983 56.771 54.840 -0.088 0.000 0.753 568 L CB -0.642 41.274 42.059 -0.239 0.000 0.890 568 L HN 0.401 nan 8.230 nan 0.000 0.432 569 E N -0.267 119.928 120.200 -0.007 0.000 2.049 569 E HA -0.285 4.064 4.350 -0.002 0.000 0.198 569 E C 2.266 178.886 176.600 0.033 0.000 1.007 569 E CA 1.362 57.783 56.400 0.035 0.000 0.809 569 E CB -0.197 29.519 29.700 0.027 0.000 0.749 569 E HN 0.522 nan 8.360 nan 0.000 0.450 570 A N 1.195 124.011 122.820 -0.007 0.000 1.892 570 A HA -0.233 4.086 4.320 -0.002 0.000 0.218 570 A C 2.171 179.757 177.584 0.004 0.000 1.188 570 A CA 1.513 53.489 52.037 -0.103 0.000 0.631 570 A CB -0.780 18.196 19.000 -0.040 0.000 0.822 570 A HN 0.199 nan 8.150 nan 0.000 0.447 571 I N -0.901 119.729 120.570 0.099 0.000 2.099 571 I HA -0.297 3.872 4.170 -0.002 0.000 0.239 571 I C 2.589 178.884 176.117 0.298 0.000 1.066 571 I CA 2.103 63.543 61.300 0.233 0.000 1.324 571 I CB -0.768 37.371 38.000 0.232 0.000 1.037 571 I HN 0.448 nan 8.210 nan 0.000 0.401 572 E N 1.421 121.782 120.200 0.268 0.000 2.108 572 E HA -0.302 4.047 4.350 -0.002 0.000 0.203 572 E C 2.278 179.145 176.600 0.445 0.000 1.022 572 E CA 1.906 58.516 56.400 0.349 0.000 0.823 572 E CB -0.275 29.612 29.700 0.311 0.000 0.744 572 E HN 0.234 nan 8.360 nan 0.000 0.456 573 R N -0.408 120.269 120.500 0.295 0.000 2.080 573 R HA -0.161 4.178 4.340 -0.002 0.000 0.236 573 R C 2.351 178.828 176.300 0.294 0.000 1.137 573 R CA 1.972 58.219 56.100 0.246 0.000 0.943 573 R CB -0.857 29.462 30.300 0.032 0.000 0.846 573 R HN 0.384 nan 8.270 nan 0.000 0.431 574 C N -0.211 119.242 119.300 0.255 0.000 2.425 574 C HA -0.095 4.364 4.460 -0.002 0.000 0.277 574 C C 2.398 177.656 174.990 0.446 0.000 1.280 574 C CA 0.128 59.331 59.018 0.310 0.000 1.744 574 C CB -1.416 26.490 27.740 0.277 0.000 1.989 574 C HN 0.687 nan 8.230 nan 0.000 0.491 575 W N -0.227 121.213 121.300 0.233 0.000 2.363 575 W HA -0.138 4.521 4.660 -0.002 0.000 0.296 575 W C 2.179 178.736 176.519 0.063 0.000 1.212 575 W CA 1.134 58.483 57.345 0.006 0.000 1.260 575 W CB -0.649 28.678 29.460 -0.222 0.000 1.131 575 W HN 0.458 nan 8.180 nan 0.000 0.530 576 W N 1.392 122.879 121.300 0.310 0.000 2.332 576 W HA -0.267 4.392 4.660 -0.002 0.000 0.321 576 W C 2.367 178.921 176.519 0.059 0.000 1.219 576 W CA 1.918 59.370 57.345 0.179 0.000 1.277 576 W CB -1.003 28.538 29.460 0.136 0.000 1.161 576 W HN -0.195 nan 8.180 nan 0.000 0.476 577 N N -0.071 118.818 118.700 0.315 0.000 2.184 577 N HA -0.197 4.542 4.740 -0.002 0.000 0.190 577 N C 1.427 176.925 175.510 -0.020 0.000 1.011 577 N CA 1.977 55.113 53.050 0.143 0.000 0.867 577 N CB -0.988 37.565 38.487 0.109 0.000 0.993 577 N HN 0.239 nan 8.380 nan 0.000 0.433 578 A N -0.892 121.839 122.820 -0.149 0.000 2.014 578 A HA 0.251 4.570 4.320 -0.002 0.000 0.210 578 A C 1.365 178.455 177.584 -0.824 0.000 1.188 578 A CA 0.224 51.966 52.037 -0.491 0.000 0.731 578 A CB -0.019 18.606 19.000 -0.626 0.000 0.858 578 A HN 0.176 nan 8.150 nan 0.000 0.464 579 F N -1.094 118.557 119.950 -0.499 0.000 2.727 579 F HA 0.378 4.904 4.527 -0.002 0.000 0.302 579 F C 1.644 177.228 175.800 -0.360 0.000 1.107 579 F CA 0.407 58.095 58.000 -0.520 0.000 1.277 579 F CB 0.439 38.927 39.000 -0.855 0.000 1.079 579 F HN 0.284 nan 8.300 nan 0.000 0.594 580 G N 1.641 110.346 108.800 -0.157 0.000 2.272 580 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.280 580 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.280 580 G C -0.261 174.264 174.900 -0.625 0.000 1.067 580 G CA 0.278 45.320 45.100 -0.097 0.000 0.902 580 G HN 0.409 nan 8.290 nan 0.000 0.500 581 E N -1.166 118.324 120.200 -1.183 0.000 2.445 581 E HA 0.526 4.875 4.350 -0.002 0.000 0.279 581 E C -0.703 175.171 176.600 -1.210 0.000 1.018 581 E CA -0.711 55.036 56.400 -1.090 0.000 0.816 581 E CB 1.260 30.744 29.700 -0.360 0.000 1.356 581 E HN 0.322 nan 8.360 nan 0.000 0.462 582 S N 0.521 115.901 115.700 -0.533 0.000 2.439 582 S HA 0.093 4.562 4.470 -0.002 0.000 0.282 582 S C 0.334 174.805 174.600 -0.215 0.000 1.170 582 S CA -0.284 57.818 58.200 -0.162 0.000 1.054 582 S CB 0.073 63.341 63.200 0.112 0.000 0.956 582 S HN 0.690 nan 8.310 nan 0.000 0.490 583 Y N 5.760 125.805 120.300 -0.425 0.000 2.200 583 Y HA -0.112 4.437 4.550 -0.002 0.000 0.290 583 Y C 2.464 178.044 175.900 -0.534 0.000 1.137 583 Y CA 1.974 59.534 58.100 -0.901 0.000 1.163 583 Y CB -0.152 37.657 38.460 -1.084 0.000 0.988 583 Y HN 0.792 nan 8.280 nan 0.000 0.518 584 R N 0.643 120.951 120.500 -0.321 0.000 2.091 584 R HA -0.228 4.111 4.340 -0.002 0.000 0.238 584 R C 2.327 178.331 176.300 -0.493 0.000 1.136 584 R CA 1.500 57.382 56.100 -0.364 0.000 0.959 584 R CB -0.683 29.639 30.300 0.035 0.000 0.856 584 R HN 0.461 nan 8.270 nan 0.000 0.437 585 A N 0.592 123.242 122.820 -0.283 0.000 1.849 585 A HA -0.281 4.038 4.320 -0.002 0.000 0.217 585 A C 2.061 179.425 177.584 -0.367 0.000 1.202 585 A CA 1.692 53.588 52.037 -0.235 0.000 0.629 585 A CB -1.346 17.586 19.000 -0.113 0.000 0.834 585 A HN 0.647 nan 8.150 nan 0.000 0.447 586 Y N 0.906 120.866 120.300 -0.567 0.000 2.096 586 Y HA -0.317 4.232 4.550 -0.002 0.000 0.278 586 Y C 2.425 177.836 175.900 -0.815 0.000 1.192 586 Y CA 2.531 60.245 58.100 -0.643 0.000 1.143 586 Y CB -0.216 37.797 38.460 -0.745 0.000 0.963 586 Y HN 0.238 nan 8.280 nan 0.000 0.505 587 R N 0.560 120.296 120.500 -1.273 0.000 2.148 587 R HA -0.081 4.258 4.340 -0.002 0.000 0.223 587 R C 2.080 177.690 176.300 -1.149 0.000 1.088 587 R CA 1.467 56.627 56.100 -1.566 0.000 0.985 587 R CB -0.655 28.034 30.300 -2.685 0.000 0.880 587 R HN 0.607 nan 8.270 nan 0.000 0.451 588 E N 0.634 120.292 120.200 -0.903 0.000 2.107 588 E HA -0.134 4.215 4.350 -0.002 0.000 0.191 588 E C 1.203 177.587 176.600 -0.361 0.000 0.982 588 E CA 1.032 57.128 56.400 -0.508 0.000 0.809 588 E CB -0.014 29.494 29.700 -0.320 0.000 0.756 588 E HN 0.255 nan 8.360 nan 0.000 0.459 589 D N 0.962 121.136 120.400 -0.376 0.000 2.087 589 D HA -0.196 4.443 4.640 -0.002 0.000 0.192 589 D C 1.875 178.000 176.300 -0.292 0.000 0.993 589 D CA 1.041 54.878 54.000 -0.272 0.000 0.828 589 D CB -0.307 40.346 40.800 -0.245 0.000 0.968 589 D HN 0.062 nan 8.370 nan 0.000 0.448 590 M N 0.179 119.512 119.600 -0.445 0.000 2.106 590 M HA -0.192 4.287 4.480 -0.002 0.000 0.259 590 M C 2.097 178.247 176.300 -0.249 0.000 1.068 590 M CA 1.235 56.295 55.300 -0.400 0.000 1.100 590 M CB -0.075 32.152 32.600 -0.621 0.000 1.351 590 M HN 0.076 nan 8.290 nan 0.000 0.404 591 L N 0.148 121.218 121.223 -0.255 0.000 1.970 591 L HA -0.314 4.025 4.340 -0.002 0.000 0.212 591 L C 2.553 179.372 176.870 -0.084 0.000 1.071 591 L CA 2.014 56.782 54.840 -0.119 0.000 0.751 591 L CB -0.571 41.444 42.059 -0.074 0.000 0.889 591 L HN 0.371 nan 8.230 nan 0.000 0.432 592 K N -0.171 120.169 120.400 -0.100 0.000 2.015 592 K HA -0.282 4.037 4.320 -0.002 0.000 0.216 592 K C 2.190 178.758 176.600 -0.054 0.000 1.052 592 K CA 1.914 58.160 56.287 -0.069 0.000 0.937 592 K CB -0.212 32.244 32.500 -0.075 0.000 0.719 592 K HN 0.256 nan 8.250 nan 0.000 0.446 593 R N 0.436 120.895 120.500 -0.068 0.000 2.112 593 R HA -0.183 4.156 4.340 -0.002 0.000 0.242 593 R C 2.153 178.455 176.300 0.003 0.000 1.137 593 R CA 2.118 58.195 56.100 -0.039 0.000 0.944 593 R CB -0.518 29.745 30.300 -0.061 0.000 0.857 593 R HN 0.410 nan 8.270 nan 0.000 0.435 594 D N -0.472 119.934 120.400 0.010 0.000 2.097 594 D HA -0.100 4.539 4.640 -0.002 0.000 0.195 594 D C 1.872 178.189 176.300 0.028 0.000 0.989 594 D CA 1.510 55.569 54.000 0.098 0.000 0.827 594 D CB -0.419 40.462 40.800 0.135 0.000 0.966 594 D HN 0.204 nan 8.370 nan 0.000 0.456 595 T N 1.336 115.874 114.554 -0.026 0.000 2.699 595 T HA -0.145 4.204 4.350 -0.002 0.000 0.268 595 T C 2.182 176.853 174.700 -0.048 0.000 1.036 595 T CA 0.813 62.875 62.100 -0.063 0.000 1.147 595 T CB -0.281 68.556 68.868 -0.050 0.000 0.862 595 T HN 0.139 nan 8.240 nan 0.000 0.446 596 L N 0.482 121.697 121.223 -0.014 0.000 1.973 596 L HA -0.056 4.283 4.340 -0.002 0.000 0.208 596 L C 2.776 179.671 176.870 0.042 0.000 1.073 596 L CA 1.422 56.265 54.840 0.005 0.000 0.746 596 L CB -0.711 41.355 42.059 0.011 0.000 0.891 596 L HN 0.145 nan 8.230 nan 0.000 0.433 597 E N 0.723 120.976 120.200 0.088 0.000 2.136 597 E HA -0.294 4.055 4.350 -0.002 0.000 0.202 597 E C 1.987 178.727 176.600 0.232 0.000 1.019 597 E CA 1.577 58.095 56.400 0.198 0.000 0.819 597 E CB -0.414 29.436 29.700 0.250 0.000 0.739 597 E HN 0.260 nan 8.360 nan 0.000 0.458 598 L N 0.529 121.747 121.223 -0.009 0.000 2.013 598 L HA -0.218 4.121 4.340 -0.002 0.000 0.212 598 L C 2.300 179.144 176.870 -0.043 0.000 1.073 598 L CA 2.635 57.292 54.840 -0.305 0.000 0.753 598 L CB -1.104 40.641 42.059 -0.524 0.000 0.890 598 L HN 0.320 nan 8.230 nan 0.000 0.432 599 S N -0.942 114.749 115.700 -0.017 0.000 2.442 599 S HA -0.271 4.198 4.470 -0.002 0.000 0.236 599 S C 2.125 176.754 174.600 0.048 0.000 1.007 599 S CA 1.070 59.272 58.200 0.003 0.000 0.965 599 S CB -0.825 62.367 63.200 -0.013 0.000 0.773 599 S HN 0.596 nan 8.310 nan 0.000 0.504 600 R N -0.359 120.211 120.500 0.116 0.000 2.193 600 R HA -0.079 4.260 4.340 -0.002 0.000 0.229 600 R C 1.297 177.545 176.300 -0.087 0.000 1.110 600 R CA 1.371 57.497 56.100 0.043 0.000 0.988 600 R CB -0.211 30.154 30.300 0.109 0.000 0.871 600 R HN 0.560 nan 8.270 nan 0.000 0.458 601 Y N -0.777 119.524 120.300 0.002 0.000 2.265 601 Y HA 0.176 4.725 4.550 -0.002 0.000 0.290 601 Y C 0.847 176.731 175.900 -0.027 0.000 1.137 601 Y CA -0.126 57.981 58.100 0.010 0.000 1.147 601 Y CB -0.163 38.332 38.460 0.059 0.000 1.104 601 Y HN -0.274 nan 8.280 nan 0.000 0.514 602 V N 1.587 121.562 119.914 0.102 0.000 2.585 602 V HA 0.115 4.234 4.120 -0.002 0.000 0.296 602 V C 0.999 177.090 176.094 -0.005 0.000 1.035 602 V CA 0.404 62.714 62.300 0.017 0.000 1.084 602 V CB 0.614 32.416 31.823 -0.035 0.000 0.953 602 V HN 0.433 nan 8.190 nan 0.000 0.483 603 A N 3.988 126.800 122.820 -0.013 0.000 1.878 603 A HA -0.016 4.303 4.320 -0.002 0.000 0.213 603 A C 2.033 179.604 177.584 -0.022 0.000 1.192 603 A CA 1.099 53.124 52.037 -0.020 0.000 0.619 603 A CB -0.515 18.472 19.000 -0.021 0.000 0.837 603 A HN 1.024 nan 8.150 nan 0.000 0.446 604 S N -1.095 114.592 115.700 -0.022 0.000 2.988 604 S HA 0.248 4.717 4.470 -0.002 0.000 0.237 604 S C 0.206 174.789 174.600 -0.028 0.000 0.989 604 S CA 0.399 58.585 58.200 -0.023 0.000 1.054 604 S CB -0.727 62.459 63.200 -0.023 0.000 0.818 604 S HN 0.446 nan 8.310 nan 0.000 0.526 605 M N 2.012 121.595 119.600 -0.028 0.000 2.090 605 M HA 0.548 5.027 4.480 -0.002 0.000 0.277 605 M C -0.298 175.986 176.300 -0.026 0.000 0.935 605 M CA -0.318 54.963 55.300 -0.032 0.000 0.966 605 M CB 1.671 34.246 32.600 -0.042 0.000 1.635 605 M HN 0.270 nan 8.290 nan 0.000 0.446 606 A N 3.385 126.191 122.820 -0.024 0.000 2.561 606 A HA 0.089 4.408 4.320 -0.002 0.000 0.234 606 A C 0.761 178.334 177.584 -0.019 0.000 1.055 606 A CA 0.260 52.285 52.037 -0.020 0.000 0.756 606 A CB 0.153 19.142 19.000 -0.019 0.000 0.986 606 A HN 0.966 nan 8.150 nan 0.000 0.505 607 R N 0.398 120.888 120.500 -0.016 0.000 2.479 607 R HA -0.117 4.222 4.340 -0.002 0.000 0.212 607 R C 0.821 177.114 176.300 -0.011 0.000 1.367 607 R CA 1.465 57.557 56.100 -0.013 0.000 1.290 607 R CB -0.277 30.016 30.300 -0.012 0.000 0.876 607 R HN 0.894 nan 8.270 nan 0.000 0.486 608 Q N -2.451 117.339 119.800 -0.015 0.000 1.480 608 Q HA 0.131 4.470 4.340 -0.002 0.000 0.150 608 Q C -0.953 175.034 176.000 -0.021 0.000 0.685 608 Q CA 0.007 55.801 55.803 -0.016 0.000 0.680 608 Q CB 0.489 29.219 28.738 -0.014 0.000 1.161 608 Q HN 0.269 nan 8.270 nan 0.000 0.352 609 A N 0.856 123.662 122.820 -0.022 0.000 2.491 609 A HA 0.606 4.925 4.320 -0.002 0.000 0.261 609 A C 0.476 178.041 177.584 -0.033 0.000 1.101 609 A CA 0.778 52.800 52.037 -0.025 0.000 0.772 609 A CB 0.122 19.107 19.000 -0.025 0.000 1.043 609 A HN 0.329 nan 8.150 nan 0.000 0.501 610 G N 1.388 110.168 108.800 -0.033 0.000 2.441 610 G HA2 0.505 4.464 3.960 -0.002 0.000 0.334 610 G HA3 0.505 4.464 3.960 -0.002 0.000 0.334 610 G C 0.483 175.355 174.900 -0.046 0.000 1.161 610 G CA -0.578 44.497 45.100 -0.042 0.000 0.935 610 G HN 0.876 nan 8.290 nan 0.000 0.488 611 L N 1.097 122.284 121.223 -0.059 0.000 4.474 611 L HA -0.368 3.971 4.340 -0.002 0.000 0.053 611 L C 2.768 179.607 176.870 -0.051 0.000 2.806 611 L CA 2.319 57.121 54.840 -0.062 0.000 1.800 611 L CB -1.493 40.534 42.059 -0.054 0.000 2.643 611 L HN 1.711 nan 8.230 nan 0.000 0.744 612 A N -2.009 120.784 122.820 -0.044 0.000 1.282 612 A HA -0.325 3.994 4.320 -0.002 0.000 0.226 612 A C 1.557 179.115 177.584 -0.043 0.000 0.465 612 A CA 1.903 53.917 52.037 -0.039 0.000 1.095 612 A CB -1.699 17.282 19.000 -0.033 0.000 1.470 612 A HN 0.768 nan 8.150 nan 0.000 0.723 613 E N 0.766 120.939 120.200 -0.045 0.000 2.472 613 E HA 0.108 4.457 4.350 -0.002 0.000 0.200 613 E C 0.624 177.190 176.600 -0.056 0.000 1.046 613 E CA 0.585 56.957 56.400 -0.046 0.000 0.871 613 E CB -0.306 29.368 29.700 -0.043 0.000 0.806 613 E HN 0.768 nan 8.360 nan 0.000 0.533 614 L N 1.170 122.355 121.223 -0.063 0.000 2.395 614 L HA 0.174 4.513 4.340 -0.002 0.000 0.269 614 L C 0.626 177.454 176.870 -0.070 0.000 1.133 614 L CA -0.208 54.587 54.840 -0.075 0.000 0.812 614 L CB 0.836 42.843 42.059 -0.086 0.000 1.125 614 L HN -0.190 nan 8.230 nan 0.000 0.452 615 T N 1.916 116.424 114.554 -0.077 0.000 2.922 615 T HA 0.176 4.525 4.350 -0.002 0.000 0.285 615 T C -1.727 172.926 174.700 -0.079 0.000 1.005 615 T CA -1.178 60.876 62.100 -0.076 0.000 1.061 615 T CB 1.625 70.445 68.868 -0.079 0.000 1.007 615 T HN 0.406 nan 8.240 nan 0.000 0.502 616 P HA -0.062 nan 4.420 nan 0.000 0.217 616 P C 1.415 178.664 177.300 -0.086 0.000 1.148 616 P CA 0.627 63.676 63.100 -0.085 0.000 0.828 616 P CB 0.086 31.726 31.700 -0.100 0.000 0.783 617 I N -0.839 119.676 120.570 -0.092 0.000 2.353 617 I HA -0.211 3.958 4.170 -0.002 0.000 0.248 617 I C 1.364 177.431 176.117 -0.083 0.000 1.119 617 I CA 1.613 62.858 61.300 -0.092 0.000 1.417 617 I CB -0.219 37.723 38.000 -0.097 0.000 1.078 617 I HN -0.159 nan 8.210 nan 0.000 0.421 618 D N 0.587 120.933 120.400 -0.091 0.000 2.084 618 D HA -0.178 4.461 4.640 -0.002 0.000 0.194 618 D C 2.269 178.523 176.300 -0.076 0.000 0.990 618 D CA 1.337 55.277 54.000 -0.099 0.000 0.826 618 D CB -0.470 40.262 40.800 -0.114 0.000 0.971 618 D HN 0.288 nan 8.370 nan 0.000 0.453 619 L N 0.493 121.674 121.223 -0.070 0.000 2.081 619 L HA -0.224 4.115 4.340 -0.002 0.000 0.212 619 L C 2.392 179.250 176.870 -0.020 0.000 1.080 619 L CA 1.141 55.952 54.840 -0.047 0.000 0.754 619 L CB -0.340 41.693 42.059 -0.044 0.000 0.893 619 L HN 0.001 nan 8.230 nan 0.000 0.433 620 E N -0.025 120.156 120.200 -0.033 0.000 2.047 620 E HA -0.146 4.203 4.350 -0.002 0.000 0.191 620 E C 2.126 178.723 176.600 -0.005 0.000 0.987 620 E CA 1.161 57.550 56.400 -0.019 0.000 0.799 620 E CB -0.128 29.542 29.700 -0.050 0.000 0.752 620 E HN 0.206 nan 8.360 nan 0.000 0.449 621 V N 0.555 120.456 119.914 -0.023 0.000 2.453 621 V HA -0.173 3.946 4.120 -0.002 0.000 0.247 621 V C 2.403 178.505 176.094 0.013 0.000 1.048 621 V CA 1.241 63.532 62.300 -0.015 0.000 1.049 621 V CB -0.430 31.369 31.823 -0.040 0.000 0.672 621 V HN 0.252 nan 8.190 nan 0.000 0.457 622 L N 0.200 121.435 121.223 0.021 0.000 2.131 622 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 622 L C 2.636 179.613 176.870 0.177 0.000 1.092 622 L CA 1.418 56.320 54.840 0.104 0.000 0.759 622 L CB -0.623 41.446 42.059 0.017 0.000 0.903 622 L HN 0.373 nan 8.230 nan 0.000 0.435 623 A N -1.125 121.759 122.820 0.106 0.000 1.929 623 A HA -0.124 4.195 4.320 -0.002 0.000 0.216 623 A C 0.638 178.256 177.584 0.057 0.000 1.176 623 A CA 1.349 53.447 52.037 0.103 0.000 0.628 623 A CB -0.024 19.031 19.000 0.092 0.000 0.816 623 A HN 0.414 nan 8.150 nan 0.000 0.444 624 D N -2.909 117.515 120.400 0.040 0.000 2.419 624 D HA 0.280 4.919 4.640 -0.002 0.000 0.219 624 D C -2.796 173.509 176.300 0.009 0.000 1.349 624 D CA -1.327 52.685 54.000 0.020 0.000 0.964 624 D CB 1.233 42.057 40.800 0.040 0.000 1.463 624 D HN -0.137 nan 8.370 nan 0.000 0.573 625 P HA 0.011 nan 4.420 nan 0.000 0.223 625 P C 0.350 177.648 177.300 -0.004 0.000 1.151 625 P CA 0.678 63.772 63.100 -0.009 0.000 0.787 625 P CB 0.174 31.863 31.700 -0.019 0.000 0.788 626 N N -0.729 117.973 118.700 0.004 0.000 2.567 626 N HA -0.063 4.676 4.740 -0.002 0.000 0.195 626 N C 1.029 176.544 175.510 0.008 0.000 1.242 626 N CA 0.572 53.632 53.050 0.017 0.000 0.884 626 N CB -0.447 38.068 38.487 0.047 0.000 1.007 626 N HN 0.110 nan 8.380 nan 0.000 0.450 627 K N 0.327 120.726 120.400 -0.002 0.000 2.437 627 K HA 0.259 4.578 4.320 -0.002 0.000 0.205 627 K C -0.802 175.776 176.600 -0.037 0.000 1.026 627 K CA 0.036 56.312 56.287 -0.018 0.000 1.153 627 K CB 0.507 32.999 32.500 -0.014 0.000 0.863 627 K HN -0.013 nan 8.250 nan 0.000 0.502 628 L N 0.223 121.428 121.223 -0.029 0.000 3.138 628 L HA 0.125 4.464 4.340 -0.002 0.000 0.248 628 L C -1.069 175.791 176.870 -0.016 0.000 0.954 628 L CA 0.288 55.106 54.840 -0.037 0.000 1.147 628 L CB 1.195 43.226 42.059 -0.046 0.000 1.648 628 L HN -0.120 nan 8.230 nan 0.000 0.567 629 S N 1.538 117.230 115.700 -0.014 0.000 2.701 629 S HA 0.172 4.641 4.470 -0.002 0.000 0.242 629 S C 1.500 176.103 174.600 0.005 0.000 1.025 629 S CA 0.352 58.559 58.200 0.011 0.000 1.016 629 S CB 1.001 64.213 63.200 0.020 0.000 0.977 629 S HN 0.856 nan 8.310 nan 0.000 0.546 630 G N 1.560 110.332 108.800 -0.048 0.000 2.491 630 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.218 630 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.218 630 G C 0.590 175.388 174.900 -0.170 0.000 1.180 630 G CA 1.638 46.653 45.100 -0.143 0.000 0.774 630 G HN 0.537 nan 8.290 nan 0.000 0.562 631 T N -2.604 111.901 114.554 -0.082 0.000 2.678 631 T HA 0.222 4.571 4.350 -0.002 0.000 0.298 631 T C -1.468 173.256 174.700 0.040 0.000 1.875 631 T CA -0.456 61.628 62.100 -0.026 0.000 0.981 631 T CB 0.345 69.157 68.868 -0.093 0.000 1.953 631 T HN 0.066 nan 8.240 nan 0.000 0.510 632 E N 0.868 121.095 120.200 0.046 0.000 2.304 632 E HA 0.570 4.919 4.350 -0.002 0.000 0.212 632 E C 0.678 177.280 176.600 0.004 0.000 1.185 632 E CA 0.407 56.846 56.400 0.064 0.000 1.326 632 E CB 0.247 29.852 29.700 -0.160 0.000 1.283 632 E HN 0.582 nan 8.360 nan 0.000 0.440 633 A N 0.028 122.914 122.820 0.110 0.000 2.295 633 A HA 0.037 4.356 4.320 -0.002 0.000 0.193 633 A C 0.867 178.511 177.584 0.099 0.000 1.512 633 A CA -0.275 51.813 52.037 0.085 0.000 1.103 633 A CB 0.513 19.519 19.000 0.010 0.000 1.331 633 A HN 0.114 nan 8.150 nan 0.000 0.501 634 D N 0.223 120.666 120.400 0.072 0.000 2.349 634 D HA 0.149 4.788 4.640 -0.002 0.000 0.224 634 D C 0.176 176.476 176.300 -0.001 0.000 1.029 634 D CA 0.701 54.715 54.000 0.023 0.000 0.879 634 D CB 0.605 41.397 40.800 -0.013 0.000 0.906 634 D HN 0.207 nan 8.370 nan 0.000 0.528 635 V N 0.717 120.653 119.914 0.036 0.000 2.680 635 V HA 0.169 4.288 4.120 -0.002 0.000 0.309 635 V C 0.327 176.295 176.094 -0.210 0.000 1.052 635 V CA -1.005 61.215 62.300 -0.132 0.000 0.908 635 V CB 2.191 33.851 31.823 -0.272 0.000 1.001 635 V HN -0.090 nan 8.190 nan 0.000 0.431 636 S N 2.457 118.034 115.700 -0.206 0.000 2.558 636 S HA 0.150 4.619 4.470 -0.002 0.000 0.293 636 S C 1.503 175.987 174.600 -0.194 0.000 1.292 636 S CA 0.257 58.379 58.200 -0.130 0.000 1.063 636 S CB 1.082 64.214 63.200 -0.115 0.000 0.831 636 S HN 1.081 nan 8.310 nan 0.000 0.499 637 A N 4.519 127.400 122.820 0.101 0.000 1.873 637 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 637 A C 1.988 179.664 177.584 0.153 0.000 1.193 637 A CA 1.889 54.106 52.037 0.299 0.000 0.629 637 A CB -0.798 18.297 19.000 0.159 0.000 0.826 637 A HN 0.892 nan 8.150 nan 0.000 0.447 638 N N 0.437 119.151 118.700 0.022 0.000 2.258 638 N HA -0.168 4.571 4.740 -0.002 0.000 0.187 638 N C 1.527 177.009 175.510 -0.046 0.000 1.012 638 N CA 1.693 54.736 53.050 -0.010 0.000 0.870 638 N CB -0.525 37.942 38.487 -0.033 0.000 0.977 638 N HN 0.462 nan 8.380 nan 0.000 0.434 639 I N 1.683 122.171 120.570 -0.136 0.000 2.162 639 I HA -0.183 3.987 4.170 -0.002 0.000 0.238 639 I C 2.023 178.047 176.117 -0.155 0.000 1.076 639 I CA 1.269 62.454 61.300 -0.192 0.000 1.353 639 I CB -1.570 36.254 38.000 -0.294 0.000 1.063 639 I HN 0.138 nan 8.210 nan 0.000 0.408 640 H N 1.237 120.296 119.070 -0.019 0.000 2.357 640 H HA -0.190 4.365 4.556 -0.002 0.000 0.296 640 H C 2.068 177.388 175.328 -0.014 0.000 1.108 640 H CA 1.659 57.700 56.048 -0.012 0.000 1.273 640 H CB -0.544 29.211 29.762 -0.012 0.000 1.367 640 H HN 0.448 nan 8.280 nan 0.000 0.498 641 E N 0.438 120.705 120.200 0.113 0.000 2.130 641 E HA -0.172 4.177 4.350 -0.002 0.000 0.196 641 E C 2.275 178.891 176.600 0.026 0.000 0.998 641 E CA 1.461 57.876 56.400 0.025 0.000 0.806 641 E CB -0.107 29.594 29.700 0.001 0.000 0.738 641 E HN 0.297 nan 8.360 nan 0.000 0.459 642 V N 1.089 121.025 119.914 0.037 0.000 2.343 642 V HA -0.229 3.890 4.120 -0.002 0.000 0.247 642 V C 2.091 178.233 176.094 0.080 0.000 1.051 642 V CA 1.587 63.929 62.300 0.070 0.000 1.036 642 V CB -0.360 31.489 31.823 0.044 0.000 0.654 642 V HN 0.264 nan 8.190 nan 0.000 0.451 643 L N -1.596 119.662 121.223 0.059 0.000 2.590 643 L HA 0.257 4.596 4.340 -0.002 0.000 0.227 643 L C 0.564 177.476 176.870 0.069 0.000 1.099 643 L CA 0.134 55.009 54.840 0.057 0.000 0.872 643 L CB 0.005 42.086 42.059 0.037 0.000 1.088 643 L HN 0.266 nan 8.230 nan 0.000 0.479 644 M N -1.344 118.307 119.600 0.085 0.000 2.755 644 M HA 0.534 5.013 4.480 -0.002 0.000 0.298 644 M C -1.071 175.302 176.300 0.120 0.000 1.251 644 M CA -0.421 54.941 55.300 0.103 0.000 0.817 644 M CB 1.607 34.272 32.600 0.109 0.000 1.760 644 M HN -0.173 nan 8.290 nan 0.000 0.473 645 H N -0.605 118.495 119.070 0.051 0.000 3.087 645 H HA 0.636 5.191 4.556 -0.002 0.000 0.348 645 H C -1.271 174.083 175.328 0.045 0.000 1.092 645 H CA -0.391 55.684 56.048 0.045 0.000 1.285 645 H CB 1.733 31.518 29.762 0.038 0.000 1.875 645 H HN 0.807 nan 8.280 nan 0.000 0.512 646 G N 1.858 110.931 108.800 0.455 0.000 2.491 646 G HA2 0.520 4.479 3.960 -0.002 0.000 0.327 646 G HA3 0.520 4.479 3.960 -0.002 0.000 0.327 646 G C -0.794 174.213 174.900 0.179 0.000 1.189 646 G CA -0.453 44.788 45.100 0.235 0.000 0.956 646 G HN 0.399 nan 8.290 nan 0.000 0.491 647 V N 0.036 120.001 119.914 0.086 0.000 2.713 647 V HA 0.462 4.581 4.120 -0.002 0.000 0.307 647 V C 0.969 177.089 176.094 0.044 0.000 1.052 647 V CA -0.611 61.711 62.300 0.037 0.000 0.967 647 V CB 1.737 33.565 31.823 0.009 0.000 1.019 647 V HN 0.934 nan 8.190 nan 0.000 0.459 648 S N 2.542 118.261 115.700 0.033 0.000 2.593 648 S HA -0.008 4.461 4.470 -0.002 0.000 0.300 648 S C 1.171 175.790 174.600 0.032 0.000 1.267 648 S CA -0.080 58.140 58.200 0.034 0.000 1.065 648 S CB 0.754 63.969 63.200 0.025 0.000 0.807 648 S HN 0.573 nan 8.310 nan 0.000 0.499 649 V N 4.397 124.330 119.914 0.031 0.000 2.490 649 V HA -0.094 4.025 4.120 -0.002 0.000 0.250 649 V C 2.343 178.456 176.094 0.032 0.000 1.061 649 V CA 1.951 64.269 62.300 0.029 0.000 1.064 649 V CB -1.320 30.515 31.823 0.019 0.000 0.670 649 V HN 0.781 nan 8.190 nan 0.000 0.461 650 E N 0.934 121.151 120.200 0.028 0.000 2.058 650 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 650 E C 2.217 178.841 176.600 0.041 0.000 0.997 650 E CA 1.367 57.785 56.400 0.029 0.000 0.801 650 E CB -0.377 29.337 29.700 0.022 0.000 0.746 650 E HN 0.600 nan 8.360 nan 0.000 0.450 651 K N -0.114 120.310 120.400 0.040 0.000 2.025 651 K HA -0.094 4.225 4.320 -0.002 0.000 0.207 651 K C 2.398 179.052 176.600 0.090 0.000 1.049 651 K CA 1.779 58.097 56.287 0.050 0.000 0.933 651 K CB -0.451 32.062 32.500 0.023 0.000 0.714 651 K HN 0.340 nan 8.250 nan 0.000 0.438 652 T N -0.663 113.940 114.554 0.082 0.000 2.777 652 T HA -0.180 4.169 4.350 -0.002 0.000 0.266 652 T C 1.929 176.731 174.700 0.170 0.000 1.040 652 T CA 1.293 63.477 62.100 0.140 0.000 1.141 652 T CB -0.185 68.741 68.868 0.096 0.000 0.868 652 T HN 0.309 nan 8.240 nan 0.000 0.444 653 E N 1.190 121.446 120.200 0.094 0.000 2.070 653 E HA -0.248 4.101 4.350 -0.002 0.000 0.197 653 E C 2.587 179.226 176.600 0.065 0.000 1.004 653 E CA 1.037 57.473 56.400 0.059 0.000 0.805 653 E CB -0.183 29.535 29.700 0.032 0.000 0.744 653 E HN 0.473 nan 8.360 nan 0.000 0.451 654 R N -0.441 120.109 120.500 0.084 0.000 2.097 654 R HA -0.203 4.136 4.340 -0.002 0.000 0.236 654 R C 2.391 178.765 176.300 0.124 0.000 1.135 654 R CA 1.873 58.023 56.100 0.083 0.000 0.934 654 R CB -0.603 29.748 30.300 0.086 0.000 0.846 654 R HN 0.274 nan 8.270 nan 0.000 0.431 655 F N 1.269 121.243 119.950 0.039 0.000 2.065 655 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 655 F C 2.055 177.897 175.800 0.070 0.000 1.112 655 F CA 1.617 59.666 58.000 0.081 0.000 1.212 655 F CB -0.675 38.378 39.000 0.089 0.000 0.975 655 F HN 0.044 nan 8.300 nan 0.000 0.476 656 L N 0.580 121.785 121.223 -0.030 0.000 2.079 656 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 656 L C 2.623 179.331 176.870 -0.270 0.000 1.081 656 L CA 1.792 56.501 54.840 -0.220 0.000 0.752 656 L CB -0.831 41.196 42.059 -0.054 0.000 0.896 656 L HN 0.103 nan 8.230 nan 0.000 0.433 657 R N -0.817 119.593 120.500 -0.149 0.000 2.105 657 R HA -0.169 4.170 4.340 -0.002 0.000 0.239 657 R C 2.380 178.582 176.300 -0.164 0.000 1.135 657 R CA 1.562 57.581 56.100 -0.135 0.000 0.967 657 R CB -0.268 29.992 30.300 -0.067 0.000 0.861 657 R HN 0.602 nan 8.270 nan 0.000 0.442 658 S N -1.537 114.071 115.700 -0.152 0.000 2.522 658 S HA 0.016 4.485 4.470 -0.002 0.000 0.227 658 S C 1.624 176.123 174.600 -0.168 0.000 0.986 658 S CA 0.597 58.758 58.200 -0.065 0.000 0.929 658 S CB 0.395 63.649 63.200 0.091 0.000 0.769 658 S HN 0.098 nan 8.310 nan 0.000 0.529 659 V N 1.019 120.662 119.914 -0.452 0.000 2.599 659 V HA 0.228 4.347 4.120 -0.002 0.000 0.237 659 V C 1.178 176.837 176.094 -0.724 0.000 1.081 659 V CA 0.383 62.257 62.300 -0.710 0.000 1.107 659 V CB -0.456 30.768 31.823 -0.997 0.000 0.808 659 V HN 0.406 nan 8.190 nan 0.000 0.486 660 M N 2.251 121.429 119.600 -0.703 0.000 2.226 660 M HA -0.000 4.479 4.480 -0.002 0.000 0.352 660 M C -1.086 174.852 176.300 -0.602 0.000 1.226 660 M CA -1.574 53.266 55.300 -0.766 0.000 0.943 660 M CB -0.360 31.963 32.600 -0.462 0.000 1.805 660 M HN 0.082 nan 8.290 nan 0.000 0.465 661 P HA -0.068 nan 4.420 nan 0.000 0.220 661 P C -0.130 177.033 177.300 -0.227 0.000 1.148 661 P CA 1.243 64.136 63.100 -0.345 0.000 0.803 661 P CB 0.618 32.168 31.700 -0.251 0.000 0.782 662 R N 0.000 120.354 120.500 -0.243 0.000 2.786 662 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 662 R CA 0.000 56.004 56.100 -0.160 0.000 0.921 662 R CB 0.000 30.239 30.300 -0.102 0.000 0.687 662 R HN 0.000 nan 8.270 nan 0.000 0.535