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 1hht_1_R DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.279 177.300 -0.035 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.678 31.700 -0.036 0.000 0.726 2 R N 2.053 122.532 120.500 -0.036 0.000 2.011 2 R HA -0.096 4.235 4.340 -0.015 0.000 0.379 2 R C -0.501 175.768 176.300 -0.051 0.000 1.107 2 R CA 0.704 56.783 56.100 -0.034 0.000 0.754 2 R CB -0.691 29.596 30.300 -0.021 0.000 2.460 2 R HN 0.635 nan 8.270 nan 0.000 0.482 3 R N 3.122 123.584 120.500 -0.063 0.000 2.390 3 R HA 0.671 5.002 4.340 -0.015 0.000 0.291 3 R C 0.176 176.427 176.300 -0.083 0.000 1.070 3 R CA 0.155 56.200 56.100 -0.092 0.000 1.014 3 R CB 1.154 31.391 30.300 -0.106 0.000 1.007 3 R HN 0.519 nan 8.270 nan 0.000 0.466 4 A N 5.228 127.992 122.820 -0.094 0.000 2.498 4 A HA 0.270 4.581 4.320 -0.015 0.000 0.239 4 A C -1.879 175.658 177.584 -0.078 0.000 1.068 4 A CA -1.287 50.713 52.037 -0.062 0.000 0.766 4 A CB -0.368 18.602 19.000 -0.048 0.000 1.003 4 A HN 0.789 nan 8.150 nan 0.000 0.497 5 P HA 0.407 nan 4.420 nan 0.000 0.275 5 P C -0.696 176.445 177.300 -0.265 0.000 1.227 5 P CA 0.119 63.109 63.100 -0.182 0.000 0.781 5 P CB 1.285 32.943 31.700 -0.070 0.000 0.906 6 A N 3.217 125.747 122.820 -0.484 0.000 2.393 6 A HA 0.759 5.069 4.320 -0.015 0.000 0.306 6 A C -1.290 175.989 177.584 -0.509 0.000 1.050 6 A CA -0.517 51.375 52.037 -0.240 0.000 0.724 6 A CB 0.856 19.969 19.000 0.189 0.000 1.248 6 A HN 0.353 nan 8.150 nan 0.000 0.424 7 F N 2.375 122.437 119.950 0.188 0.000 2.532 7 F HA 0.643 5.163 4.527 -0.012 0.000 0.321 7 F C -2.189 173.728 175.800 0.196 0.000 1.089 7 F CA -2.564 55.536 58.000 0.167 0.000 0.926 7 F CB 1.989 41.082 39.000 0.154 0.000 1.168 7 F HN 0.325 nan 8.300 nan 0.000 0.459 8 P HA 0.074 nan 4.420 nan 0.000 0.276 8 P C 0.756 178.252 177.300 0.327 0.000 1.244 8 P CA -0.396 62.865 63.100 0.270 0.000 0.801 8 P CB 1.550 33.355 31.700 0.174 0.000 1.006 9 L N 2.834 124.265 121.223 0.348 0.000 2.189 9 L HA -0.212 4.118 4.340 -0.015 0.000 0.214 9 L C 2.168 179.179 176.870 0.236 0.000 1.097 9 L CA 2.659 57.721 54.840 0.369 0.000 0.764 9 L CB -1.594 40.672 42.059 0.344 0.000 0.900 9 L HN 0.480 nan 8.230 nan 0.000 0.436 10 S N -2.229 113.579 115.700 0.180 0.000 2.489 10 S HA -0.074 4.387 4.470 -0.015 0.000 0.228 10 S C 1.004 175.686 174.600 0.137 0.000 0.995 10 S CA 0.076 58.353 58.200 0.130 0.000 0.934 10 S CB -0.742 62.517 63.200 0.098 0.000 0.771 10 S HN 0.598 nan 8.310 nan 0.000 0.522 11 D N 1.123 121.631 120.400 0.180 0.000 2.382 11 D HA 0.052 4.683 4.640 -0.015 0.000 0.245 11 D C 1.139 177.508 176.300 0.114 0.000 1.120 11 D CA -0.225 53.876 54.000 0.169 0.000 0.890 11 D CB 0.894 41.854 40.800 0.267 0.000 1.201 11 D HN 0.138 nan 8.370 nan 0.000 0.433 12 I N 4.251 124.867 120.570 0.075 0.000 2.399 12 I HA -0.255 3.906 4.170 -0.015 0.000 0.254 12 I C 1.941 178.055 176.117 -0.006 0.000 1.146 12 I CA 1.592 62.919 61.300 0.044 0.000 1.412 12 I CB -0.032 37.989 38.000 0.035 0.000 1.076 12 I HN 0.387 nan 8.210 nan 0.000 0.432 13 K N 0.213 120.558 120.400 -0.091 0.000 2.148 13 K HA -0.027 4.284 4.320 -0.015 0.000 0.204 13 K C 2.112 178.629 176.600 -0.137 0.000 1.050 13 K CA 1.183 57.333 56.287 -0.229 0.000 0.942 13 K CB -0.240 31.884 32.500 -0.627 0.000 0.724 13 K HN 0.483 nan 8.250 nan 0.000 0.446 14 A N 1.088 123.916 122.820 0.014 0.000 1.874 14 A HA -0.126 4.185 4.320 -0.015 0.000 0.214 14 A C 2.053 179.746 177.584 0.182 0.000 1.189 14 A CA 0.807 52.940 52.037 0.159 0.000 0.615 14 A CB -0.272 18.944 19.000 0.360 0.000 0.830 14 A HN 0.112 nan 8.150 nan 0.000 0.443 15 Q N -0.196 119.717 119.800 0.188 0.000 2.133 15 Q HA -0.185 4.146 4.340 -0.015 0.000 0.208 15 Q C 1.918 178.020 176.000 0.170 0.000 0.991 15 Q CA 1.624 57.554 55.803 0.212 0.000 0.867 15 Q CB -0.523 28.294 28.738 0.131 0.000 0.911 15 Q HN 0.703 nan 8.270 nan 0.000 0.417 16 M N 0.114 119.758 119.600 0.074 0.000 2.722 16 M HA -0.034 4.436 4.480 -0.015 0.000 0.238 16 M C 1.411 177.737 176.300 0.043 0.000 1.098 16 M CA 0.593 55.943 55.300 0.083 0.000 1.062 16 M CB -0.137 32.522 32.600 0.100 0.000 1.573 16 M HN 0.129 nan 8.290 nan 0.000 0.531 17 L N -1.050 120.048 121.223 -0.208 0.000 2.529 17 L HA 0.152 4.483 4.340 -0.015 0.000 0.223 17 L C -0.288 176.128 176.870 -0.756 0.000 1.113 17 L CA 0.135 54.623 54.840 -0.586 0.000 0.861 17 L CB 0.155 41.601 42.059 -1.021 0.000 1.012 17 L HN 0.097 nan 8.230 nan 0.000 0.461 18 F N 0.054 120.032 119.950 0.046 0.000 2.507 18 F HA 0.597 5.114 4.527 -0.017 0.000 0.328 18 F C 0.593 176.425 175.800 0.053 0.000 1.136 18 F CA -1.070 56.968 58.000 0.062 0.000 0.930 18 F CB 0.826 39.792 39.000 -0.056 0.000 1.166 18 F HN -0.234 nan 8.300 nan 0.000 0.436 19 A N 1.688 124.643 122.820 0.225 0.000 2.386 19 A HA 0.149 4.459 4.320 -0.015 0.000 0.246 19 A C 0.564 178.255 177.584 0.179 0.000 1.089 19 A CA -0.435 51.716 52.037 0.190 0.000 0.790 19 A CB 0.122 19.306 19.000 0.306 0.000 1.042 19 A HN 0.758 nan 8.150 nan 0.000 0.497 20 N N 1.013 119.797 118.700 0.140 0.000 3.193 20 N HA 0.102 4.832 4.740 -0.015 0.000 0.312 20 N C -0.722 174.836 175.510 0.081 0.000 1.261 20 N CA 0.126 53.232 53.050 0.093 0.000 1.208 20 N CB -1.024 37.504 38.487 0.068 0.000 1.471 20 N HN 0.740 nan 8.380 nan 0.000 0.548 21 N N -0.632 118.120 118.700 0.088 0.000 2.610 21 N HA 0.274 5.004 4.740 -0.015 0.000 0.264 21 N C 0.631 176.164 175.510 0.038 0.000 1.348 21 N CA -0.792 52.296 53.050 0.064 0.000 0.819 21 N CB 0.630 39.169 38.487 0.086 0.000 1.521 21 N HN -0.249 nan 8.380 nan 0.000 0.497 22 I N 0.088 120.669 120.570 0.017 0.000 2.142 22 I HA -0.184 3.977 4.170 -0.015 0.000 0.240 22 I C 1.898 177.999 176.117 -0.026 0.000 1.078 22 I CA 1.260 62.555 61.300 -0.009 0.000 1.343 22 I CB -1.208 36.786 38.000 -0.011 0.000 1.046 22 I HN 0.603 nan 8.210 nan 0.000 0.405 23 K N 1.390 121.790 120.400 0.001 0.000 2.030 23 K HA -0.246 4.064 4.320 -0.015 0.000 0.222 23 K C 2.210 178.748 176.600 -0.102 0.000 1.056 23 K CA 2.102 58.385 56.287 -0.007 0.000 0.957 23 K CB -0.970 31.575 32.500 0.076 0.000 0.727 23 K HN 0.395 nan 8.250 nan 0.000 0.452 24 A N 1.873 124.680 122.820 -0.022 0.000 1.851 24 A HA -0.241 4.070 4.320 -0.015 0.000 0.216 24 A C 2.272 179.682 177.584 -0.289 0.000 1.195 24 A CA 1.844 53.805 52.037 -0.127 0.000 0.622 24 A CB -0.562 18.596 19.000 0.263 0.000 0.831 24 A HN 0.319 nan 8.150 nan 0.000 0.444 25 Q N -0.397 119.314 119.800 -0.148 0.000 2.096 25 Q HA -0.277 4.054 4.340 -0.015 0.000 0.208 25 Q C 2.172 178.002 176.000 -0.284 0.000 0.993 25 Q CA 2.180 57.856 55.803 -0.212 0.000 0.862 25 Q CB -0.666 28.010 28.738 -0.103 0.000 0.915 25 Q HN 0.838 nan 8.270 nan 0.000 0.416 26 Q N -0.461 119.213 119.800 -0.210 0.000 2.135 26 Q HA -0.123 4.208 4.340 -0.015 0.000 0.204 26 Q C 1.944 177.814 176.000 -0.216 0.000 0.981 26 Q CA 1.442 57.142 55.803 -0.171 0.000 0.856 26 Q CB -0.143 28.528 28.738 -0.111 0.000 0.902 26 Q HN 0.424 nan 8.270 nan 0.000 0.425 27 A N 0.525 123.109 122.820 -0.395 0.000 1.929 27 A HA -0.167 4.144 4.320 -0.015 0.000 0.216 27 A C 2.187 179.595 177.584 -0.293 0.000 1.176 27 A CA 1.520 53.306 52.037 -0.418 0.000 0.628 27 A CB -0.576 17.749 19.000 -1.125 0.000 0.816 27 A HN 0.447 nan 8.150 nan 0.000 0.444 28 S N 0.169 115.426 115.700 -0.738 0.000 2.382 28 S HA -0.164 4.297 4.470 -0.015 0.000 0.228 28 S C 1.707 176.213 174.600 -0.157 0.000 1.027 28 S CA 1.615 59.213 58.200 -1.004 0.000 0.991 28 S CB -0.302 61.743 63.200 -1.924 0.000 0.823 28 S HN 0.611 nan 8.310 nan 0.000 0.469 29 K N 0.117 120.437 120.400 -0.133 0.000 2.352 29 K HA 0.265 4.576 4.320 -0.015 0.000 0.194 29 K C 0.639 177.311 176.600 0.118 0.000 1.038 29 K CA -0.308 55.962 56.287 -0.028 0.000 1.023 29 K CB 0.016 32.444 32.500 -0.119 0.000 0.840 29 K HN 0.145 nan 8.250 nan 0.000 0.519 30 R N 2.668 123.248 120.500 0.133 0.000 2.560 30 R HA -0.099 4.232 4.340 -0.015 0.000 0.296 30 R C -0.289 176.189 176.300 0.296 0.000 0.873 30 R CA 0.382 56.576 56.100 0.156 0.000 1.140 30 R CB -0.084 30.301 30.300 0.142 0.000 0.875 30 R HN 0.211 nan 8.270 nan 0.000 0.419 31 S N 3.941 119.764 115.700 0.205 0.000 2.713 31 S HA 0.370 4.831 4.470 -0.015 0.000 0.283 31 S C -0.099 174.628 174.600 0.212 0.000 1.161 31 S CA -0.973 57.387 58.200 0.266 0.000 0.999 31 S CB 0.691 63.999 63.200 0.180 0.000 1.039 31 S HN 0.497 nan 8.310 nan 0.000 0.548 32 F N 1.413 121.434 119.950 0.118 0.000 2.629 32 F HA 0.377 4.895 4.527 -0.016 0.000 0.377 32 F C 0.210 176.053 175.800 0.072 0.000 1.101 32 F CA 0.760 58.804 58.000 0.073 0.000 1.301 32 F CB 0.132 39.170 39.000 0.064 0.000 1.062 32 F HN 0.622 nan 8.300 nan 0.000 0.583 33 K N 4.428 124.326 120.400 -0.837 0.000 2.498 33 K HA 0.406 4.716 4.320 -0.015 0.000 0.254 33 K C -1.404 174.766 176.600 -0.716 0.000 0.933 33 K CA -0.772 55.191 56.287 -0.539 0.000 0.806 33 K CB 1.940 34.294 32.500 -0.242 0.000 1.301 33 K HN 0.728 nan 8.250 nan 0.000 0.432 34 E N 0.626 120.570 120.200 -0.427 0.000 2.454 34 E HA 0.837 5.178 4.350 -0.015 0.000 0.279 34 E C -0.857 175.442 176.600 -0.502 0.000 1.029 34 E CA -1.552 54.590 56.400 -0.429 0.000 0.831 34 E CB 2.031 31.617 29.700 -0.191 0.000 1.405 34 E HN 0.607 nan 8.360 nan 0.000 0.463 35 G N -0.452 107.769 108.800 -0.965 0.000 2.322 35 G HA2 0.440 4.391 3.960 -0.015 0.000 0.289 35 G HA3 0.440 4.391 3.960 -0.015 0.000 0.289 35 G C -0.867 173.496 174.900 -0.895 0.000 1.687 35 G CA -0.489 44.052 45.100 -0.931 0.000 0.944 35 G HN 0.801 nan 8.290 nan 0.000 0.718 36 A N 1.185 123.670 122.820 -0.557 0.000 2.565 36 A HA 0.485 4.796 4.320 -0.015 0.000 0.237 36 A C 1.088 178.592 177.584 -0.132 0.000 1.053 36 A CA 0.750 52.688 52.037 -0.165 0.000 0.755 36 A CB -0.313 18.757 19.000 0.118 0.000 0.980 36 A HN 1.954 nan 8.150 nan 0.000 0.506 37 I N -0.694 119.832 120.570 -0.073 0.000 2.713 37 I HA 0.420 4.580 4.170 -0.015 0.000 0.300 37 I C 0.354 176.463 176.117 -0.013 0.000 1.009 37 I CA -0.583 60.688 61.300 -0.048 0.000 1.305 37 I CB 1.109 39.091 38.000 -0.031 0.000 1.430 37 I HN 0.702 nan 8.210 nan 0.000 0.546 38 E N 3.283 123.470 120.200 -0.021 0.000 1.861 38 E HA 0.108 4.449 4.350 -0.015 0.000 0.263 38 E C 0.467 177.038 176.600 -0.049 0.000 1.137 38 E CA -0.151 56.239 56.400 -0.017 0.000 0.944 38 E CB 0.529 30.223 29.700 -0.010 0.000 1.092 38 E HN 0.818 nan 8.360 nan 0.000 0.420 39 T N 3.324 117.838 114.554 -0.067 0.000 2.624 39 T HA -0.194 4.147 4.350 -0.015 0.000 0.268 39 T C -0.167 174.273 174.700 -0.433 0.000 1.041 39 T CA 1.628 63.616 62.100 -0.186 0.000 1.159 39 T CB -0.081 68.705 68.868 -0.137 0.000 0.863 39 T HN 0.350 nan 8.240 nan 0.000 0.434 40 Y N -0.408 119.914 120.300 0.037 0.000 2.581 40 Y HA 0.378 4.919 4.550 -0.015 0.000 0.345 40 Y C -0.117 175.808 175.900 0.043 0.000 1.036 40 Y CA -1.795 56.339 58.100 0.056 0.000 1.042 40 Y CB 1.158 39.702 38.460 0.139 0.000 1.289 40 Y HN -0.063 nan 8.280 nan 0.000 0.471 41 E N 0.994 121.323 120.200 0.214 0.000 2.868 41 E HA 0.164 4.505 4.350 -0.015 0.000 0.246 41 E C 0.713 177.385 176.600 0.120 0.000 0.962 41 E CA 1.549 58.020 56.400 0.119 0.000 0.955 41 E CB -0.085 29.667 29.700 0.087 0.000 0.903 41 E HN 0.909 nan 8.360 nan 0.000 0.524 42 G N 3.521 112.365 108.800 0.073 0.000 2.148 42 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.254 42 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.254 42 G C -0.082 174.848 174.900 0.051 0.000 0.981 42 G CA -0.034 45.099 45.100 0.055 0.000 0.670 42 G HN 0.478 nan 8.290 nan 0.000 0.528 43 L N 0.405 121.661 121.223 0.056 0.000 2.376 43 L HA 0.642 4.973 4.340 -0.015 0.000 0.275 43 L C -0.634 176.226 176.870 -0.017 0.000 0.987 43 L CA -1.083 53.764 54.840 0.013 0.000 0.828 43 L CB 1.337 43.396 42.059 -0.001 0.000 1.249 43 L HN 0.008 nan 8.230 nan 0.000 0.409 44 L N 3.115 124.338 121.223 0.001 0.000 2.292 44 L HA 0.235 4.566 4.340 -0.015 0.000 0.284 44 L C 1.555 178.473 176.870 0.079 0.000 1.065 44 L CA 0.510 55.369 54.840 0.033 0.000 0.806 44 L CB 1.778 43.868 42.059 0.051 0.000 1.175 44 L HN 0.778 nan 8.230 nan 0.000 0.431 45 S N 2.361 118.141 115.700 0.134 0.000 2.420 45 S HA -0.143 4.317 4.470 -0.015 0.000 0.237 45 S C 1.141 175.986 174.600 0.409 0.000 1.023 45 S CA 1.297 59.689 58.200 0.321 0.000 0.991 45 S CB -0.537 62.832 63.200 0.281 0.000 0.792 45 S HN 0.588 nan 8.310 nan 0.000 0.488 46 V N -1.147 118.927 119.914 0.267 0.000 3.542 46 V HA 0.289 4.400 4.120 -0.015 0.000 0.296 46 V C 0.395 176.559 176.094 0.117 0.000 1.364 46 V CA -0.307 62.110 62.300 0.194 0.000 1.118 46 V CB -0.801 31.128 31.823 0.177 0.000 0.972 46 V HN 0.309 nan 8.190 nan 0.000 0.430 47 D N 2.309 122.797 120.400 0.147 0.000 2.533 47 D HA 0.059 4.690 4.640 -0.015 0.000 0.236 47 D C -1.356 174.960 176.300 0.027 0.000 1.137 47 D CA -1.115 52.929 54.000 0.073 0.000 0.867 47 D CB 1.948 42.796 40.800 0.079 0.000 1.170 47 D HN 0.134 nan 8.370 nan 0.000 0.474 48 P HA -0.146 nan 4.420 nan 0.000 0.216 48 P C 1.247 178.431 177.300 -0.192 0.000 1.153 48 P CA 1.424 64.443 63.100 -0.136 0.000 0.858 48 P CB 0.231 31.849 31.700 -0.137 0.000 0.789 49 R N -1.793 118.535 120.500 -0.286 0.000 2.082 49 R HA -0.155 4.176 4.340 -0.015 0.000 0.234 49 R C 2.208 178.268 176.300 -0.399 0.000 1.136 49 R CA 1.482 57.232 56.100 -0.583 0.000 0.935 49 R CB -1.399 28.192 30.300 -1.183 0.000 0.842 49 R HN 0.117 nan 8.270 nan 0.000 0.430 50 F N 1.291 121.060 119.950 -0.302 0.000 2.091 50 F HA -0.195 4.323 4.527 -0.016 0.000 0.299 50 F C 1.841 177.701 175.800 0.101 0.000 1.103 50 F CA 1.505 59.551 58.000 0.076 0.000 1.228 50 F CB -0.448 38.685 39.000 0.221 0.000 0.984 50 F HN -0.046 nan 8.300 nan 0.000 0.477 51 L N -1.105 120.118 121.223 0.001 0.000 2.079 51 L HA -0.259 4.072 4.340 -0.015 0.000 0.210 51 L C 2.710 179.441 176.870 -0.231 0.000 1.081 51 L CA 1.664 56.343 54.840 -0.268 0.000 0.752 51 L CB -1.122 40.631 42.059 -0.510 0.000 0.896 51 L HN 0.226 nan 8.230 nan 0.000 0.433 52 S N 0.028 115.623 115.700 -0.175 0.000 2.355 52 S HA -0.229 4.232 4.470 -0.015 0.000 0.222 52 S C 1.999 176.563 174.600 -0.060 0.000 1.031 52 S CA 1.279 59.405 58.200 -0.123 0.000 0.993 52 S CB -0.376 62.737 63.200 -0.145 0.000 0.859 52 S HN 0.420 nan 8.310 nan 0.000 0.453 53 F N 2.147 121.982 119.950 -0.192 0.000 2.091 53 F HA -0.101 4.417 4.527 -0.016 0.000 0.299 53 F C 2.138 177.849 175.800 -0.147 0.000 1.103 53 F CA 2.098 60.003 58.000 -0.158 0.000 1.228 53 F CB -0.579 38.338 39.000 -0.138 0.000 0.984 53 F HN 0.148 nan 8.300 nan 0.000 0.477 54 K N 0.088 120.239 120.400 -0.415 0.000 2.026 54 K HA -0.266 4.045 4.320 -0.015 0.000 0.208 54 K C 1.994 178.496 176.600 -0.163 0.000 1.048 54 K CA 1.721 57.753 56.287 -0.425 0.000 0.929 54 K CB -0.514 31.903 32.500 -0.139 0.000 0.713 54 K HN 0.454 nan 8.250 nan 0.000 0.439 55 N N 0.940 119.683 118.700 0.072 0.000 2.120 55 N HA -0.229 4.502 4.740 -0.015 0.000 0.188 55 N C 1.760 177.294 175.510 0.040 0.000 1.024 55 N CA 1.581 54.708 53.050 0.129 0.000 0.852 55 N CB 0.060 38.667 38.487 0.200 0.000 1.003 55 N HN 0.221 nan 8.380 nan 0.000 0.424 56 E N -0.704 119.468 120.200 -0.045 0.000 2.076 56 E HA -0.135 4.206 4.350 -0.015 0.000 0.190 56 E C 1.856 178.414 176.600 -0.070 0.000 0.979 56 E CA 0.563 56.948 56.400 -0.025 0.000 0.807 56 E CB -0.107 29.571 29.700 -0.037 0.000 0.761 56 E HN 0.378 nan 8.360 nan 0.000 0.454 57 L N 1.248 122.298 121.223 -0.288 0.000 1.994 57 L HA -0.192 4.139 4.340 -0.015 0.000 0.208 57 L C 2.542 179.336 176.870 -0.126 0.000 1.071 57 L CA 2.515 57.169 54.840 -0.311 0.000 0.745 57 L CB -0.967 40.676 42.059 -0.692 0.000 0.892 57 L HN 0.215 nan 8.230 nan 0.000 0.431 58 S N -0.573 115.075 115.700 -0.087 0.000 2.353 58 S HA -0.277 4.184 4.470 -0.015 0.000 0.222 58 S C 2.165 176.887 174.600 0.203 0.000 1.035 58 S CA 1.343 59.588 58.200 0.075 0.000 1.025 58 S CB -0.776 62.526 63.200 0.170 0.000 0.902 58 S HN 0.505 nan 8.310 nan 0.000 0.440 59 R N -0.307 120.395 120.500 0.337 0.000 2.096 59 R HA -0.119 4.212 4.340 -0.015 0.000 0.240 59 R C 2.370 178.844 176.300 0.289 0.000 1.139 59 R CA 1.924 58.293 56.100 0.449 0.000 0.952 59 R CB -0.711 29.801 30.300 0.353 0.000 0.854 59 R HN 0.638 nan 8.270 nan 0.000 0.436 60 Y N 1.495 121.840 120.300 0.075 0.000 2.070 60 Y HA -0.239 4.302 4.550 -0.016 0.000 0.279 60 Y C 2.132 178.042 175.900 0.016 0.000 1.134 60 Y CA 1.678 59.787 58.100 0.015 0.000 1.113 60 Y CB -0.427 37.972 38.460 -0.101 0.000 0.981 60 Y HN -0.046 nan 8.280 nan 0.000 0.487 61 L N -0.570 120.706 121.223 0.089 0.000 1.997 61 L HA -0.339 3.991 4.340 -0.015 0.000 0.216 61 L C 2.342 179.230 176.870 0.029 0.000 1.074 61 L CA 2.139 56.886 54.840 -0.155 0.000 0.763 61 L CB -1.220 40.176 42.059 -1.106 0.000 0.890 61 L HN 0.318 nan 8.230 nan 0.000 0.434 62 T N -1.173 113.461 114.554 0.132 0.000 2.635 62 T HA -0.267 4.074 4.350 -0.015 0.000 0.267 62 T C 1.619 176.396 174.700 0.128 0.000 1.040 62 T CA 1.771 63.995 62.100 0.207 0.000 1.156 62 T CB -0.348 68.391 68.868 -0.216 0.000 0.863 62 T HN 0.384 nan 8.240 nan 0.000 0.430 63 D N 0.421 120.870 120.400 0.083 0.000 2.087 63 D HA -0.126 4.505 4.640 -0.015 0.000 0.192 63 D C 1.947 178.171 176.300 -0.128 0.000 0.993 63 D CA 1.350 55.359 54.000 0.016 0.000 0.828 63 D CB -0.186 40.648 40.800 0.057 0.000 0.968 63 D HN 0.449 nan 8.370 nan 0.000 0.448 64 H N -1.848 116.956 119.070 -0.444 0.000 2.546 64 H HA 0.096 4.642 4.556 -0.015 0.000 0.277 64 H C -0.080 174.727 175.328 -0.868 0.000 1.004 64 H CA 0.498 56.108 56.048 -0.730 0.000 1.231 64 H CB -0.053 29.044 29.762 -1.109 0.000 1.382 64 H HN 0.073 nan 8.280 nan 0.000 0.580 65 F N 1.270 121.268 119.950 0.079 0.000 2.646 65 F HA 0.273 4.790 4.527 -0.015 0.000 0.336 65 F C -2.404 173.496 175.800 0.165 0.000 1.437 65 F CA -2.644 55.438 58.000 0.138 0.000 1.142 65 F CB 0.871 39.992 39.000 0.202 0.000 1.530 65 F HN -0.101 nan 8.300 nan 0.000 0.591 66 P HA 0.135 nan 4.420 nan 0.000 0.269 66 P C 0.049 177.404 177.300 0.092 0.000 1.215 66 P CA -0.058 63.111 63.100 0.116 0.000 0.780 66 P CB 1.063 32.798 31.700 0.058 0.000 0.898 67 A N 2.895 125.742 122.820 0.045 0.000 2.520 67 A HA 0.009 4.319 4.320 -0.015 0.000 0.235 67 A C 0.385 177.948 177.584 -0.035 0.000 1.065 67 A CA 0.139 52.178 52.037 0.005 0.000 0.764 67 A CB -0.861 18.155 19.000 0.028 0.000 1.002 67 A HN 0.648 nan 8.150 nan 0.000 0.502 68 N N 0.870 119.467 118.700 -0.171 0.000 2.904 68 N HA 0.423 5.154 4.740 -0.015 0.000 0.257 68 N C -1.578 173.669 175.510 -0.439 0.000 1.363 68 N CA -0.257 52.473 53.050 -0.534 0.000 0.856 68 N CB 1.331 39.248 38.487 -0.951 0.000 1.166 68 N HN 0.350 nan 8.380 nan 0.000 0.499 69 V N 1.400 121.320 119.914 0.011 0.000 2.531 69 V HA 0.208 4.318 4.120 -0.015 0.000 0.301 69 V C -0.243 176.009 176.094 0.264 0.000 1.034 69 V CA -0.973 61.393 62.300 0.111 0.000 0.865 69 V CB 1.781 33.528 31.823 -0.126 0.000 0.995 69 V HN 0.472 nan 8.190 nan 0.000 0.424 70 D N 2.784 123.368 120.400 0.307 0.000 2.411 70 D HA 0.175 4.806 4.640 -0.015 0.000 0.251 70 D C 0.850 177.224 176.300 0.123 0.000 1.201 70 D CA -0.619 53.504 54.000 0.205 0.000 0.996 70 D CB 0.873 41.754 40.800 0.134 0.000 1.101 70 D HN 0.415 nan 8.370 nan 0.000 0.504 71 E N -0.997 119.230 120.200 0.044 0.000 2.339 71 E HA -0.200 4.141 4.350 -0.015 0.000 0.201 71 E C 0.265 176.655 176.600 -0.350 0.000 1.015 71 E CA 1.276 57.600 56.400 -0.127 0.000 0.841 71 E CB -0.575 28.969 29.700 -0.260 0.000 0.754 71 E HN 0.491 nan 8.360 nan 0.000 0.508 72 Y N -0.871 119.379 120.300 -0.084 0.000 2.658 72 Y HA 0.344 4.884 4.550 -0.016 0.000 0.276 72 Y C 1.576 177.508 175.900 0.053 0.000 1.167 72 Y CA 0.017 58.016 58.100 -0.167 0.000 1.230 72 Y CB 0.625 38.941 38.460 -0.239 0.000 1.144 72 Y HN 0.091 nan 8.280 nan 0.000 0.529 73 G N 0.764 109.715 108.800 0.252 0.000 2.196 73 G HA2 -0.353 3.598 3.960 -0.015 0.000 0.268 73 G HA3 -0.353 3.598 3.960 -0.015 0.000 0.268 73 G C 0.493 175.535 174.900 0.236 0.000 0.975 73 G CA -0.030 45.254 45.100 0.307 0.000 0.648 73 G HN 0.376 nan 8.290 nan 0.000 0.538 74 R N 0.028 120.689 120.500 0.268 0.000 2.442 74 R HA 0.450 4.781 4.340 -0.015 0.000 0.291 74 R C 0.391 176.898 176.300 0.345 0.000 1.069 74 R CA 0.201 56.497 56.100 0.326 0.000 1.022 74 R CB 1.749 32.118 30.300 0.116 0.000 0.976 74 R HN 0.530 nan 8.270 nan 0.000 0.443 75 V N 4.468 124.591 119.914 0.348 0.000 2.472 75 V HA 0.524 4.635 4.120 -0.015 0.000 0.290 75 V C -0.824 175.437 176.094 0.278 0.000 1.037 75 V CA -0.332 62.092 62.300 0.206 0.000 0.908 75 V CB 0.723 32.589 31.823 0.072 0.000 0.985 75 V HN 0.810 nan 8.190 nan 0.000 0.454 76 Y N 4.089 124.474 120.300 0.141 0.000 3.159 76 Y HA 0.963 5.504 4.550 -0.015 0.000 0.299 76 Y C 1.119 177.082 175.900 0.105 0.000 1.666 76 Y CA -0.380 57.798 58.100 0.130 0.000 1.049 76 Y CB 0.159 38.697 38.460 0.129 0.000 1.413 76 Y HN 1.325 nan 8.280 nan 0.000 0.576 77 G N 1.502 110.390 108.800 0.147 0.000 2.660 77 G HA2 -0.491 3.460 3.960 -0.015 0.000 0.321 77 G HA3 -0.491 3.460 3.960 -0.015 0.000 0.321 77 G C 0.779 175.690 174.900 0.017 0.000 1.246 77 G CA 1.141 46.275 45.100 0.056 0.000 1.000 77 G HN 1.394 nan 8.290 nan 0.000 0.550 78 N N 2.019 120.716 118.700 -0.005 0.000 2.520 78 N HA 0.213 4.944 4.740 -0.015 0.000 0.185 78 N C 1.791 177.324 175.510 0.037 0.000 1.068 78 N CA 1.222 54.312 53.050 0.067 0.000 0.911 78 N CB -0.091 38.494 38.487 0.164 0.000 0.961 78 N HN 2.199 nan 8.380 nan 0.000 0.446 79 G N 0.099 108.891 108.800 -0.013 0.000 2.179 79 G HA2 -0.276 3.674 3.960 -0.015 0.000 0.260 79 G HA3 -0.276 3.674 3.960 -0.015 0.000 0.260 79 G C -0.029 174.873 174.900 0.004 0.000 0.977 79 G CA 0.210 45.315 45.100 0.008 0.000 0.641 79 G HN 0.249 nan 8.290 nan 0.000 0.533 80 V N 1.938 121.848 119.914 -0.005 0.000 2.427 80 V HA 0.394 4.505 4.120 -0.015 0.000 0.268 80 V C 1.561 177.614 176.094 -0.067 0.000 1.046 80 V CA 0.580 62.866 62.300 -0.022 0.000 0.970 80 V CB 1.157 33.019 31.823 0.064 0.000 1.001 80 V HN 0.592 nan 8.190 nan 0.000 0.476 81 R N 2.700 123.152 120.500 -0.080 0.000 2.362 81 R HA 0.346 4.677 4.340 -0.015 0.000 0.227 81 R C 0.494 176.773 176.300 -0.034 0.000 0.905 81 R CA 0.137 56.211 56.100 -0.042 0.000 1.067 81 R CB 0.715 31.012 30.300 -0.006 0.000 1.078 81 R HN 0.614 nan 8.270 nan 0.000 0.516 82 T N 0.063 114.532 114.554 -0.142 0.000 2.663 82 T HA 0.131 4.472 4.350 -0.015 0.000 0.305 82 T C -1.520 172.970 174.700 -0.350 0.000 1.660 82 T CA -0.715 61.293 62.100 -0.153 0.000 0.976 82 T CB 0.812 69.620 68.868 -0.100 0.000 1.705 82 T HN 0.405 nan 8.240 nan 0.000 0.494 83 N N 0.193 118.728 118.700 -0.274 0.000 2.255 83 N HA 0.288 5.018 4.740 -0.015 0.000 0.253 83 N C 0.045 175.189 175.510 -0.609 0.000 1.313 83 N CA 0.083 52.891 53.050 -0.404 0.000 0.912 83 N CB -0.105 38.157 38.487 -0.375 0.000 1.145 83 N HN 0.509 nan 8.380 nan 0.000 0.511 84 F N -2.513 117.178 119.950 -0.431 0.000 2.654 84 F HA 0.402 4.920 4.527 -0.016 0.000 0.303 84 F C 0.515 176.213 175.800 -0.169 0.000 1.099 84 F CA -0.520 57.340 58.000 -0.233 0.000 1.270 84 F CB -0.273 38.635 39.000 -0.155 0.000 1.024 84 F HN 0.322 nan 8.300 nan 0.000 0.548 85 F N -0.147 119.891 119.950 0.146 0.000 2.771 85 F HA 0.022 4.539 4.527 -0.016 0.000 0.299 85 F C 2.278 178.047 175.800 -0.051 0.000 1.177 85 F CA 0.276 58.293 58.000 0.028 0.000 1.450 85 F CB -0.369 38.687 39.000 0.093 0.000 1.114 85 F HN 0.139 nan 8.300 nan 0.000 0.587 86 G N 1.064 109.960 108.800 0.161 0.000 2.471 86 G HA2 -0.227 3.723 3.960 -0.015 0.000 0.219 86 G HA3 -0.227 3.723 3.960 -0.015 0.000 0.219 86 G C 1.630 176.665 174.900 0.225 0.000 1.125 86 G CA 0.651 45.858 45.100 0.180 0.000 0.775 86 G HN 0.485 nan 8.290 nan 0.000 0.548 87 M N -0.375 119.313 119.600 0.146 0.000 2.492 87 M HA 0.236 4.707 4.480 -0.015 0.000 0.262 87 M C 1.389 177.698 176.300 0.014 0.000 1.090 87 M CA 0.549 55.940 55.300 0.151 0.000 1.110 87 M CB -0.052 32.637 32.600 0.148 0.000 1.407 87 M HN -0.104 nan 8.290 nan 0.000 0.470 88 R N 1.958 122.290 120.500 -0.279 0.000 4.218 88 R HA 0.103 4.434 4.340 -0.015 0.000 0.208 88 R C -0.638 175.280 176.300 -0.636 0.000 2.100 88 R CA 0.211 55.798 56.100 -0.855 0.000 1.727 88 R CB -0.931 28.679 30.300 -1.150 0.000 1.186 88 R HN 0.512 nan 8.270 nan 0.000 0.645 89 H N 0.623 119.727 119.070 0.055 0.000 2.524 89 H HA 0.234 4.781 4.556 -0.015 0.000 0.353 89 H C 0.473 176.000 175.328 0.330 0.000 1.136 89 H CA -0.797 55.379 56.048 0.213 0.000 1.193 89 H CB 1.743 31.606 29.762 0.168 0.000 1.558 89 H HN -0.061 nan 8.280 nan 0.000 0.515 90 M N 2.884 122.758 119.600 0.457 0.000 3.237 90 M HA 0.047 4.517 4.480 -0.015 0.000 0.266 90 M C -0.159 176.410 176.300 0.447 0.000 1.456 90 M CA -0.399 55.156 55.300 0.425 0.000 1.593 90 M CB -1.148 31.650 32.600 0.331 0.000 1.129 90 M HN 0.312 nan 8.290 nan 0.000 0.547 91 N N 2.251 121.164 118.700 0.354 0.000 2.301 91 N HA 0.072 4.803 4.740 -0.015 0.000 0.267 91 N C 1.334 176.901 175.510 0.095 0.000 1.304 91 N CA 1.111 54.290 53.050 0.215 0.000 0.851 91 N CB 0.469 39.073 38.487 0.196 0.000 1.070 91 N HN 0.914 nan 8.380 nan 0.000 0.483 92 G N 0.994 109.772 108.800 -0.037 0.000 2.284 92 G HA2 -0.204 3.747 3.960 -0.015 0.000 0.201 92 G HA3 -0.204 3.747 3.960 -0.015 0.000 0.201 92 G C -0.413 174.166 174.900 -0.533 0.000 0.998 92 G CA -0.607 44.307 45.100 -0.309 0.000 0.651 92 G HN 0.426 nan 8.290 nan 0.000 0.489 93 F N 3.574 123.544 119.950 0.033 0.000 2.402 93 F HA 0.546 5.064 4.527 -0.015 0.000 0.355 93 F C -1.648 174.213 175.800 0.102 0.000 1.123 93 F CA -2.270 55.770 58.000 0.065 0.000 1.021 93 F CB 2.290 41.347 39.000 0.096 0.000 1.160 93 F HN -0.121 nan 8.300 nan 0.000 0.451 94 P HA 0.195 nan 4.420 nan 0.000 0.276 94 P C -0.575 176.854 177.300 0.215 0.000 1.261 94 P CA -0.588 62.624 63.100 0.187 0.000 0.800 94 P CB 1.157 32.954 31.700 0.162 0.000 1.066 95 M N 0.251 119.930 119.600 0.133 0.000 2.241 95 M HA 0.442 4.913 4.480 -0.015 0.000 0.335 95 M C -0.522 175.822 176.300 0.074 0.000 1.122 95 M CA 0.201 55.568 55.300 0.111 0.000 1.164 95 M CB 0.082 32.719 32.600 0.062 0.000 1.459 95 M HN 0.041 nan 8.290 nan 0.000 0.461 96 I N 2.633 123.239 120.570 0.059 0.000 2.465 96 I HA 0.583 4.743 4.170 -0.015 0.000 0.291 96 I C -2.345 173.798 176.117 0.044 0.000 1.014 96 I CA -2.188 59.112 61.300 -0.000 0.000 1.093 96 I CB 1.496 39.471 38.000 -0.043 0.000 1.267 96 I HN 0.626 nan 8.210 nan 0.000 0.431 97 P HA 0.533 nan 4.420 nan 0.000 0.304 97 P C -0.781 176.448 177.300 -0.118 0.000 1.310 97 P CA -0.413 62.657 63.100 -0.051 0.000 0.796 97 P CB 1.800 33.522 31.700 0.037 0.000 1.297 98 A N -0.430 122.243 122.820 -0.245 0.000 2.240 98 A HA 0.532 4.843 4.320 -0.015 0.000 0.292 98 A C 0.316 177.757 177.584 -0.237 0.000 1.121 98 A CA -0.221 51.602 52.037 -0.357 0.000 0.851 98 A CB -0.504 17.959 19.000 -0.895 0.000 1.167 98 A HN 0.505 nan 8.150 nan 0.000 0.503 99 T N -0.881 113.582 114.554 -0.151 0.000 2.922 99 T HA 0.418 4.758 4.350 -0.015 0.000 0.285 99 T C -0.969 173.773 174.700 0.070 0.000 1.005 99 T CA -0.105 61.976 62.100 -0.032 0.000 1.061 99 T CB 0.054 68.893 68.868 -0.049 0.000 1.007 99 T HN 0.376 nan 8.240 nan 0.000 0.502 100 W N 5.303 126.608 121.300 0.009 0.000 2.315 100 W HA 0.387 5.037 4.660 -0.016 0.000 0.316 100 W C -1.832 174.702 176.519 0.024 0.000 1.211 100 W CA -1.912 55.475 57.345 0.070 0.000 1.201 100 W CB 0.645 30.158 29.460 0.089 0.000 1.184 100 W HN 0.476 nan 8.180 nan 0.000 0.544 101 P HA 0.075 nan 4.420 nan 0.000 0.276 101 P C -0.768 176.600 177.300 0.112 0.000 1.230 101 P CA -0.366 62.786 63.100 0.087 0.000 0.776 101 P CB 1.284 32.988 31.700 0.007 0.000 0.888 102 L N 3.409 124.666 121.223 0.056 0.000 2.462 102 L HA 0.172 4.503 4.340 -0.015 0.000 0.272 102 L C 1.651 178.536 176.870 0.024 0.000 1.166 102 L CA 0.348 55.220 54.840 0.054 0.000 0.880 102 L CB 0.312 42.391 42.059 0.033 0.000 1.142 102 L HN 0.526 nan 8.230 nan 0.000 0.473 103 A N 2.997 125.828 122.820 0.018 0.000 2.014 103 A HA 0.052 4.363 4.320 -0.015 0.000 0.218 103 A C 1.056 178.637 177.584 -0.006 0.000 1.163 103 A CA 1.185 53.225 52.037 0.005 0.000 0.652 103 A CB -0.138 18.855 19.000 -0.012 0.000 0.808 103 A HN 0.615 nan 8.150 nan 0.000 0.449 104 S N -0.591 115.103 115.700 -0.011 0.000 2.614 104 S HA 0.392 4.852 4.470 -0.015 0.000 0.275 104 S C -0.235 174.358 174.600 -0.012 0.000 1.161 104 S CA -0.357 57.837 58.200 -0.010 0.000 0.969 104 S CB 0.808 63.999 63.200 -0.014 0.000 1.059 104 S HN 0.465 nan 8.310 nan 0.000 0.482 105 N N 5.425 124.120 118.700 -0.009 0.000 2.235 105 N HA 0.128 4.859 4.740 -0.015 0.000 0.209 105 N C 1.176 176.700 175.510 0.022 0.000 1.122 105 N CA -0.103 52.935 53.050 -0.021 0.000 0.845 105 N CB -0.375 38.081 38.487 -0.052 0.000 1.004 105 N HN 0.586 nan 8.380 nan 0.000 0.499 106 L N 0.404 121.646 121.223 0.032 0.000 1.989 106 L HA -0.143 4.188 4.340 -0.015 0.000 0.211 106 L C 2.607 179.512 176.870 0.058 0.000 1.071 106 L CA 1.645 56.520 54.840 0.058 0.000 0.749 106 L CB -0.401 41.684 42.059 0.043 0.000 0.890 106 L HN 0.242 nan 8.230 nan 0.000 0.431 107 K N 0.699 121.115 120.400 0.026 0.000 2.097 107 K HA -0.225 4.086 4.320 -0.015 0.000 0.205 107 K C 2.254 178.884 176.600 0.049 0.000 1.050 107 K CA 1.344 57.644 56.287 0.022 0.000 0.938 107 K CB -0.007 32.479 32.500 -0.022 0.000 0.718 107 K HN 0.096 nan 8.250 nan 0.000 0.442 108 K N 0.754 121.177 120.400 0.040 0.000 2.032 108 K HA -0.192 4.119 4.320 -0.015 0.000 0.209 108 K C 2.172 178.888 176.600 0.193 0.000 1.048 108 K CA 1.519 57.838 56.287 0.053 0.000 0.927 108 K CB -0.039 32.409 32.500 -0.086 0.000 0.712 108 K HN 0.115 nan 8.250 nan 0.000 0.441 109 R N -0.208 120.427 120.500 0.225 0.000 2.075 109 R HA -0.087 4.244 4.340 -0.015 0.000 0.232 109 R C 2.417 178.857 176.300 0.233 0.000 1.126 109 R CA 1.266 57.581 56.100 0.357 0.000 0.963 109 R CB -0.300 30.176 30.300 0.292 0.000 0.858 109 R HN 0.300 nan 8.270 nan 0.000 0.435 110 A N 1.388 124.301 122.820 0.155 0.000 1.877 110 A HA -0.176 4.135 4.320 -0.015 0.000 0.216 110 A C 1.459 179.101 177.584 0.097 0.000 1.186 110 A CA 1.803 53.904 52.037 0.106 0.000 0.620 110 A CB -0.410 18.633 19.000 0.072 0.000 0.822 110 A HN 0.182 nan 8.150 nan 0.000 0.443 111 D N -0.005 120.457 120.400 0.103 0.000 2.309 111 D HA 0.043 4.674 4.640 -0.015 0.000 0.212 111 D C 1.608 177.976 176.300 0.113 0.000 0.968 111 D CA 1.183 55.239 54.000 0.092 0.000 0.882 111 D CB -0.173 40.678 40.800 0.085 0.000 0.918 111 D HN 0.454 nan 8.370 nan 0.000 0.503 112 A N -0.077 122.838 122.820 0.158 0.000 2.308 112 A HA 0.027 4.338 4.320 -0.015 0.000 0.217 112 A C 0.346 177.972 177.584 0.069 0.000 1.216 112 A CA -0.049 52.072 52.037 0.140 0.000 0.864 112 A CB 0.168 19.303 19.000 0.226 0.000 0.902 112 A HN -0.004 nan 8.150 nan 0.000 0.499 113 D N -0.504 119.939 120.400 0.072 0.000 2.705 113 D HA -0.126 4.505 4.640 -0.015 0.000 0.240 113 D C -0.772 175.546 176.300 0.030 0.000 1.137 113 D CA 0.822 54.848 54.000 0.043 0.000 0.677 113 D CB -1.005 39.811 40.800 0.026 0.000 1.049 113 D HN 0.442 nan 8.370 nan 0.000 0.427 114 L N 0.054 121.314 121.223 0.063 0.000 2.346 114 L HA 0.696 5.026 4.340 -0.015 0.000 0.274 114 L C 0.934 177.881 176.870 0.128 0.000 1.007 114 L CA -0.874 54.012 54.840 0.078 0.000 0.818 114 L CB 1.732 43.844 42.059 0.088 0.000 1.284 114 L HN 0.065 nan 8.230 nan 0.000 0.424 115 A N 0.747 123.651 122.820 0.140 0.000 2.466 115 A HA 0.194 4.504 4.320 -0.015 0.000 0.238 115 A C 0.292 177.979 177.584 0.172 0.000 1.074 115 A CA -0.035 52.070 52.037 0.113 0.000 0.774 115 A CB 0.047 19.087 19.000 0.067 0.000 1.015 115 A HN 0.863 nan 8.150 nan 0.000 0.498 116 D N -0.109 120.257 120.400 -0.057 0.000 2.388 116 D HA 0.427 5.058 4.640 -0.015 0.000 0.221 116 D C 0.325 176.097 176.300 -0.880 0.000 1.133 116 D CA 0.550 54.459 54.000 -0.152 0.000 0.831 116 D CB -0.060 40.724 40.800 -0.027 0.000 0.962 116 D HN 0.862 nan 8.370 nan 0.000 0.502 117 G N -0.533 107.483 108.800 -1.308 0.000 2.356 117 G HA2 0.407 4.357 3.960 -0.015 0.000 0.294 117 G HA3 0.407 4.357 3.960 -0.015 0.000 0.294 117 G C -3.231 170.984 174.900 -1.142 0.000 1.423 117 G CA -1.174 42.945 45.100 -1.635 0.000 0.806 117 G HN -0.171 nan 8.290 nan 0.000 0.527 118 P HA 0.151 nan 4.420 nan 0.000 0.264 118 P C 1.070 178.360 177.300 -0.017 0.000 1.193 118 P CA -0.149 62.879 63.100 -0.121 0.000 0.763 118 P CB 1.533 33.245 31.700 0.020 0.000 0.810 119 V N 2.658 122.681 119.914 0.181 0.000 2.788 119 V HA -0.010 4.101 4.120 -0.015 0.000 0.251 119 V C 0.563 176.657 176.094 -0.000 0.000 1.068 119 V CA 2.021 64.335 62.300 0.022 0.000 1.090 119 V CB -0.244 31.546 31.823 -0.055 0.000 0.710 119 V HN 0.677 nan 8.190 nan 0.000 0.467 120 S N -1.323 114.399 115.700 0.036 0.000 2.599 120 S HA 0.480 4.941 4.470 -0.015 0.000 0.287 120 S C 0.451 175.053 174.600 0.003 0.000 1.105 120 S CA 0.096 58.295 58.200 -0.001 0.000 0.899 120 S CB 1.663 64.854 63.200 -0.015 0.000 1.100 120 S HN 0.210 nan 8.310 nan 0.000 0.482 121 E N 1.396 121.586 120.200 -0.016 0.000 2.209 121 E HA -0.165 4.176 4.350 -0.015 0.000 0.196 121 E C 1.923 178.512 176.600 -0.019 0.000 0.993 121 E CA 1.597 57.987 56.400 -0.016 0.000 0.819 121 E CB -0.162 29.524 29.700 -0.024 0.000 0.745 121 E HN 0.687 nan 8.360 nan 0.000 0.477 122 R N 0.155 120.633 120.500 -0.037 0.000 2.070 122 R HA -0.162 4.169 4.340 -0.015 0.000 0.233 122 R C 1.411 177.674 176.300 -0.062 0.000 1.137 122 R CA 1.996 58.057 56.100 -0.063 0.000 0.945 122 R CB -0.332 29.915 30.300 -0.090 0.000 0.845 122 R HN 0.172 nan 8.270 nan 0.000 0.430 123 D N 0.251 120.629 120.400 -0.036 0.000 2.116 123 D HA -0.200 4.430 4.640 -0.015 0.000 0.193 123 D C 1.577 177.890 176.300 0.022 0.000 0.998 123 D CA 1.497 55.461 54.000 -0.061 0.000 0.836 123 D CB -0.675 40.198 40.800 0.121 0.000 0.951 123 D HN 0.310 nan 8.370 nan 0.000 0.449 124 N N 0.080 118.842 118.700 0.104 0.000 2.149 124 N HA -0.127 4.604 4.740 -0.015 0.000 0.188 124 N C 1.675 177.248 175.510 0.105 0.000 1.019 124 N CA 0.896 54.035 53.050 0.147 0.000 0.857 124 N CB -0.216 38.310 38.487 0.065 0.000 0.997 124 N HN 0.178 nan 8.380 nan 0.000 0.426 125 L N -0.318 120.922 121.223 0.028 0.000 2.072 125 L HA -0.054 4.277 4.340 -0.015 0.000 0.205 125 L C 2.288 179.151 176.870 -0.012 0.000 1.079 125 L CA 0.565 55.410 54.840 0.008 0.000 0.752 125 L CB -0.467 41.580 42.059 -0.021 0.000 0.906 125 L HN 0.213 nan 8.230 nan 0.000 0.436 126 L N -0.928 120.245 121.223 -0.083 0.000 1.989 126 L HA -0.261 4.070 4.340 -0.015 0.000 0.211 126 L C 2.606 179.414 176.870 -0.105 0.000 1.071 126 L CA 1.724 56.469 54.840 -0.160 0.000 0.749 126 L CB -0.623 41.265 42.059 -0.286 0.000 0.890 126 L HN 0.126 nan 8.230 nan 0.000 0.431 127 F N -0.112 119.845 119.950 0.011 0.000 2.069 127 F HA -0.257 4.261 4.527 -0.015 0.000 0.298 127 F C 2.838 178.659 175.800 0.035 0.000 1.113 127 F CA 1.194 59.216 58.000 0.036 0.000 1.214 127 F CB -0.289 38.737 39.000 0.043 0.000 0.978 127 F HN -0.081 nan 8.300 nan 0.000 0.474 128 R N 0.042 120.676 120.500 0.223 0.000 2.127 128 R HA -0.161 4.169 4.340 -0.015 0.000 0.238 128 R C 2.355 178.702 176.300 0.079 0.000 1.134 128 R CA 1.113 57.283 56.100 0.118 0.000 0.975 128 R CB -0.616 29.731 30.300 0.079 0.000 0.865 128 R HN 0.304 nan 8.270 nan 0.000 0.447 129 A N 0.971 123.817 122.820 0.044 0.000 1.898 129 A HA -0.067 4.244 4.320 -0.015 0.000 0.216 129 A C 2.357 179.951 177.584 0.016 0.000 1.181 129 A CA 1.443 53.480 52.037 0.000 0.000 0.620 129 A CB -0.647 18.311 19.000 -0.069 0.000 0.819 129 A HN 0.381 nan 8.150 nan 0.000 0.442 130 A N -0.300 122.545 122.820 0.042 0.000 1.917 130 A HA -0.106 4.204 4.320 -0.015 0.000 0.219 130 A C 2.237 180.029 177.584 0.346 0.000 1.182 130 A CA 2.107 54.279 52.037 0.226 0.000 0.633 130 A CB -1.071 18.166 19.000 0.395 0.000 0.819 130 A HN 0.445 nan 8.150 nan 0.000 0.448 131 V N -0.019 120.035 119.914 0.232 0.000 2.295 131 V HA -0.285 3.825 4.120 -0.015 0.000 0.246 131 V C 2.646 178.872 176.094 0.220 0.000 1.049 131 V CA 2.250 64.655 62.300 0.176 0.000 1.024 131 V CB -0.874 30.926 31.823 -0.039 0.000 0.648 131 V HN 0.529 nan 8.190 nan 0.000 0.447 132 R N -0.265 120.323 120.500 0.148 0.000 2.080 132 R HA -0.115 4.215 4.340 -0.015 0.000 0.236 132 R C 2.349 178.781 176.300 0.220 0.000 1.137 132 R CA 1.550 57.740 56.100 0.151 0.000 0.943 132 R CB -0.574 29.784 30.300 0.096 0.000 0.846 132 R HN 0.413 nan 8.270 nan 0.000 0.431 133 L N 0.241 121.605 121.223 0.235 0.000 2.046 133 L HA -0.195 4.136 4.340 -0.015 0.000 0.208 133 L C 2.631 179.751 176.870 0.416 0.000 1.077 133 L CA 1.448 56.488 54.840 0.333 0.000 0.747 133 L CB -0.336 41.908 42.059 0.308 0.000 0.896 133 L HN 0.279 nan 8.230 nan 0.000 0.432 134 M N -1.480 118.376 119.600 0.428 0.000 2.200 134 M HA -0.133 4.338 4.480 -0.015 0.000 0.265 134 M C 1.180 177.515 176.300 0.058 0.000 1.066 134 M CA 1.690 57.149 55.300 0.265 0.000 1.127 134 M CB -0.019 32.742 32.600 0.268 0.000 1.379 134 M HN 0.081 nan 8.290 nan 0.000 0.420 135 F N -0.304 119.686 119.950 0.067 0.000 2.639 135 F HA 0.136 4.653 4.527 -0.016 0.000 0.300 135 F C 2.024 177.903 175.800 0.131 0.000 1.109 135 F CA -0.195 57.834 58.000 0.047 0.000 1.335 135 F CB -0.604 38.322 39.000 -0.124 0.000 1.014 135 F HN 0.099 nan 8.300 nan 0.000 0.537 136 S N -1.335 114.502 115.700 0.228 0.000 2.324 136 S HA 0.010 4.470 4.470 -0.015 0.000 0.210 136 S C 0.709 175.358 174.600 0.082 0.000 1.027 136 S CA 0.528 58.831 58.200 0.171 0.000 0.945 136 S CB -0.186 63.108 63.200 0.157 0.000 0.908 136 S HN 0.179 nan 8.310 nan 0.000 0.496 137 D N 2.277 122.709 120.400 0.054 0.000 2.772 137 D HA 0.388 5.019 4.640 -0.015 0.000 0.273 137 D C -0.740 175.547 176.300 -0.020 0.000 1.233 137 D CA -0.041 53.964 54.000 0.009 0.000 0.984 137 D CB 0.320 41.128 40.800 0.012 0.000 1.000 137 D HN 0.347 nan 8.370 nan 0.000 0.514 138 L N 0.852 122.052 121.223 -0.039 0.000 2.397 138 L HA 0.168 4.499 4.340 -0.015 0.000 0.271 138 L C 0.940 177.771 176.870 -0.064 0.000 1.148 138 L CA -0.064 54.737 54.840 -0.065 0.000 0.825 138 L CB 0.848 42.855 42.059 -0.088 0.000 1.117 138 L HN -0.088 nan 8.230 nan 0.000 0.456 139 E N 3.416 123.581 120.200 -0.058 0.000 2.113 139 E HA 0.326 4.667 4.350 -0.015 0.000 0.273 139 E C -2.290 174.288 176.600 -0.036 0.000 0.924 139 E CA -1.937 54.436 56.400 -0.046 0.000 0.764 139 E CB 1.457 31.132 29.700 -0.042 0.000 1.104 139 E HN 0.294 nan 8.360 nan 0.000 0.406 140 P HA -0.053 nan 4.420 nan 0.000 0.264 140 P C -0.415 176.888 177.300 0.006 0.000 1.183 140 P CA 0.087 63.187 63.100 -0.001 0.000 0.763 140 P CB 0.525 32.228 31.700 0.005 0.000 0.807 141 V N 0.744 120.671 119.914 0.022 0.000 3.167 141 V HA 0.789 4.900 4.120 -0.015 0.000 0.310 141 V C -2.676 173.443 176.094 0.041 0.000 1.207 141 V CA -2.840 59.471 62.300 0.019 0.000 1.059 141 V CB 1.845 33.671 31.823 0.006 0.000 1.079 141 V HN 0.302 nan 8.190 nan 0.000 0.446 142 P HA 0.312 nan 4.420 nan 0.000 0.282 142 P C -0.562 176.782 177.300 0.074 0.000 1.249 142 P CA -0.385 62.748 63.100 0.054 0.000 0.806 142 P CB 1.478 33.204 31.700 0.042 0.000 0.984 143 L N 3.390 124.665 121.223 0.087 0.000 2.515 143 L HA 0.072 4.403 4.340 -0.015 0.000 0.281 143 L C 0.626 177.578 176.870 0.135 0.000 1.131 143 L CA -0.187 54.717 54.840 0.106 0.000 0.905 143 L CB -0.072 42.040 42.059 0.088 0.000 1.246 143 L HN 0.229 nan 8.230 nan 0.000 0.463 144 K N 6.183 126.669 120.400 0.144 0.000 2.270 144 K HA 0.458 4.769 4.320 -0.015 0.000 0.276 144 K C -0.437 176.268 176.600 0.176 0.000 1.023 144 K CA -0.250 56.139 56.287 0.169 0.000 0.955 144 K CB 1.790 34.417 32.500 0.212 0.000 0.975 144 K HN 0.549 nan 8.250 nan 0.000 0.471 145 I N 1.954 122.620 120.570 0.160 0.000 2.498 145 I HA 0.247 4.408 4.170 -0.015 0.000 0.290 145 I C 0.126 176.271 176.117 0.046 0.000 1.032 145 I CA -1.266 60.102 61.300 0.113 0.000 1.073 145 I CB 1.968 40.027 38.000 0.098 0.000 1.251 145 I HN 0.336 nan 8.210 nan 0.000 0.426 146 R N 5.666 126.167 120.500 0.001 0.000 2.401 146 R HA 0.145 4.476 4.340 -0.015 0.000 0.299 146 R C -0.495 175.772 176.300 -0.056 0.000 1.064 146 R CA 0.065 56.147 56.100 -0.031 0.000 1.000 146 R CB 0.316 30.596 30.300 -0.034 0.000 0.973 146 R HN 0.419 nan 8.270 nan 0.000 0.438 147 K N 3.108 123.484 120.400 -0.040 0.000 2.448 147 K HA 0.172 4.483 4.320 -0.015 0.000 0.278 147 K C 0.771 177.330 176.600 -0.068 0.000 1.009 147 K CA 0.970 57.233 56.287 -0.041 0.000 0.995 147 K CB 0.542 33.037 32.500 -0.008 0.000 0.917 147 K HN 0.917 nan 8.250 nan 0.000 0.481 148 G N 1.653 110.407 108.800 -0.077 0.000 2.155 148 G HA2 -0.311 3.639 3.960 -0.015 0.000 0.257 148 G HA3 -0.311 3.639 3.960 -0.015 0.000 0.257 148 G C 0.125 174.968 174.900 -0.094 0.000 0.983 148 G CA 0.574 45.625 45.100 -0.081 0.000 0.676 148 G HN 0.690 nan 8.290 nan 0.000 0.528 149 S N -0.789 114.841 115.700 -0.117 0.000 2.617 149 S HA 0.715 5.176 4.470 -0.015 0.000 0.269 149 S C 0.364 174.877 174.600 -0.145 0.000 1.292 149 S CA 0.455 58.581 58.200 -0.123 0.000 1.010 149 S CB 2.041 65.153 63.200 -0.147 0.000 0.944 149 S HN 1.247 nan 8.310 nan 0.000 0.536 150 S N 0.349 115.983 115.700 -0.109 0.000 2.554 150 S HA 0.369 4.830 4.470 -0.015 0.000 0.278 150 S C 1.342 175.818 174.600 -0.205 0.000 1.242 150 S CA -0.157 57.977 58.200 -0.110 0.000 1.051 150 S CB 0.614 63.806 63.200 -0.013 0.000 0.986 150 S HN 0.975 nan 8.310 nan 0.000 0.502 151 T N 1.612 116.028 114.554 -0.231 0.000 3.160 151 T HA 0.104 4.444 4.350 -0.015 0.000 0.257 151 T C 1.270 175.787 174.700 -0.305 0.000 1.147 151 T CA 0.438 62.407 62.100 -0.218 0.000 1.064 151 T CB -1.490 67.338 68.868 -0.068 0.000 0.949 151 T HN 0.790 nan 8.240 nan 0.000 0.526 152 C N 0.302 119.251 119.300 -0.585 0.000 0.168 152 C HA -0.244 4.207 4.460 -0.015 0.000 0.017 152 C C 1.133 175.205 174.990 -1.529 0.000 0.171 152 C CA -0.809 57.458 59.018 -1.252 0.000 0.499 152 C CB -1.643 25.791 27.740 -0.509 0.000 3.212 152 C HN 0.741 nan 8.230 nan 0.000 1.118 153 I N 3.808 123.747 120.570 -1.053 0.000 2.741 153 I HA 0.042 4.203 4.170 -0.015 0.000 0.288 153 I C -0.748 175.120 176.117 -0.415 0.000 1.192 153 I CA 0.017 60.961 61.300 -0.593 0.000 1.426 153 I CB 0.429 38.231 38.000 -0.331 0.000 1.367 153 I HN 0.593 nan 8.210 nan 0.000 0.563 154 P HA -0.019 nan 4.420 nan 0.000 0.252 154 P C 0.894 178.039 177.300 -0.258 0.000 1.211 154 P CA 0.800 63.664 63.100 -0.393 0.000 0.824 154 P CB 0.307 31.720 31.700 -0.478 0.000 1.077 155 Y N -0.821 119.456 120.300 -0.038 0.000 2.314 155 Y HA 0.220 4.757 4.550 -0.022 0.000 0.294 155 Y C 0.935 176.936 175.900 0.168 0.000 1.119 155 Y CA -0.227 57.909 58.100 0.061 0.000 1.179 155 Y CB -1.262 37.195 38.460 -0.004 0.000 1.025 155 Y HN -0.273 nan 8.280 nan 0.000 0.541 156 F N 0.271 120.270 119.950 0.081 0.000 3.039 156 F HA -0.245 4.271 4.527 -0.018 0.000 0.287 156 F C 0.670 176.479 175.800 0.015 0.000 0.956 156 F CA 0.452 58.453 58.000 0.001 0.000 0.971 156 F CB -1.686 37.292 39.000 -0.037 0.000 0.943 156 F HN 0.000 nan 8.300 nan 0.000 0.766 157 S N -0.277 115.476 115.700 0.089 0.000 2.654 157 S HA 0.647 5.108 4.470 -0.015 0.000 0.283 157 S C 0.872 175.454 174.600 -0.030 0.000 1.180 157 S CA -0.072 58.150 58.200 0.037 0.000 1.021 157 S CB 1.274 64.482 63.200 0.014 0.000 1.018 157 S HN 0.326 nan 8.310 nan 0.000 0.532 158 N N 0.938 119.615 118.700 -0.038 0.000 2.193 158 N HA 0.167 4.898 4.740 -0.015 0.000 0.210 158 N C -1.186 174.279 175.510 -0.076 0.000 1.215 158 N CA -0.236 52.774 53.050 -0.066 0.000 0.901 158 N CB 0.293 38.754 38.487 -0.044 0.000 1.060 158 N HN 0.673 nan 8.380 nan 0.000 0.508 159 D N 0.820 121.180 120.400 -0.066 0.000 2.363 159 D HA -0.019 4.612 4.640 -0.015 0.000 0.263 159 D C 1.277 177.520 176.300 -0.094 0.000 1.258 159 D CA -0.112 53.846 54.000 -0.071 0.000 0.907 159 D CB 0.605 41.368 40.800 -0.062 0.000 1.107 159 D HN -0.069 nan 8.370 nan 0.000 0.495 160 M N 4.157 123.692 119.600 -0.109 0.000 2.144 160 M HA -0.034 4.436 4.480 -0.015 0.000 0.260 160 M C 1.851 178.059 176.300 -0.153 0.000 1.067 160 M CA 2.182 57.391 55.300 -0.151 0.000 1.095 160 M CB -0.760 31.721 32.600 -0.199 0.000 1.365 160 M HN 0.502 nan 8.290 nan 0.000 0.406 161 G N -1.485 107.238 108.800 -0.127 0.000 2.459 161 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.217 161 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.217 161 G C 1.452 176.306 174.900 -0.076 0.000 1.183 161 G CA 1.527 46.565 45.100 -0.104 0.000 0.776 161 G HN 0.502 nan 8.290 nan 0.000 0.552 162 T N 0.957 115.467 114.554 -0.073 0.000 2.708 162 T HA -0.061 4.280 4.350 -0.015 0.000 0.266 162 T C 2.366 177.054 174.700 -0.021 0.000 1.037 162 T CA 1.431 63.494 62.100 -0.062 0.000 1.146 162 T CB -0.153 68.667 68.868 -0.079 0.000 0.865 162 T HN 0.307 nan 8.240 nan 0.000 0.435 163 K N 0.916 121.294 120.400 -0.037 0.000 2.032 163 K HA -0.052 4.258 4.320 -0.015 0.000 0.209 163 K C 2.250 178.934 176.600 0.140 0.000 1.048 163 K CA 1.115 57.408 56.287 0.010 0.000 0.927 163 K CB -0.415 31.982 32.500 -0.170 0.000 0.712 163 K HN 0.325 nan 8.250 nan 0.000 0.441 164 I N 1.802 122.399 120.570 0.044 0.000 2.179 164 I HA -0.233 3.928 4.170 -0.015 0.000 0.242 164 I C 2.157 178.309 176.117 0.058 0.000 1.088 164 I CA 1.583 62.919 61.300 0.061 0.000 1.357 164 I CB -1.079 36.917 38.000 -0.006 0.000 1.051 164 I HN 0.273 nan 8.210 nan 0.000 0.409 165 E N 1.091 121.307 120.200 0.026 0.000 2.058 165 E HA -0.203 4.138 4.350 -0.015 0.000 0.194 165 E C 2.383 179.002 176.600 0.032 0.000 0.997 165 E CA 1.151 57.559 56.400 0.013 0.000 0.801 165 E CB -0.135 29.556 29.700 -0.015 0.000 0.746 165 E HN 0.439 nan 8.360 nan 0.000 0.450 166 I N 1.150 121.764 120.570 0.074 0.000 2.151 166 I HA -0.343 3.818 4.170 -0.015 0.000 0.243 166 I C 2.538 178.677 176.117 0.037 0.000 1.080 166 I CA 1.204 62.569 61.300 0.109 0.000 1.339 166 I CB -0.299 37.853 38.000 0.254 0.000 1.039 166 I HN 0.122 nan 8.210 nan 0.000 0.409 167 A N 0.367 123.227 122.820 0.067 0.000 1.845 167 A HA -0.233 4.078 4.320 -0.015 0.000 0.215 167 A C 2.174 179.700 177.584 -0.098 0.000 1.195 167 A CA 1.731 53.714 52.037 -0.091 0.000 0.616 167 A CB -0.759 18.258 19.000 0.027 0.000 0.832 167 A HN 0.441 nan 8.150 nan 0.000 0.443 168 E N -0.851 119.331 120.200 -0.031 0.000 2.114 168 E HA -0.305 4.036 4.350 -0.015 0.000 0.199 168 E C 2.266 178.838 176.600 -0.046 0.000 1.008 168 E CA 1.599 57.979 56.400 -0.033 0.000 0.810 168 E CB -0.223 29.478 29.700 0.001 0.000 0.739 168 E HN 0.476 nan 8.360 nan 0.000 0.456 169 R N 1.202 121.684 120.500 -0.030 0.000 2.080 169 R HA -0.144 4.186 4.340 -0.015 0.000 0.236 169 R C 2.124 178.395 176.300 -0.048 0.000 1.137 169 R CA 1.894 57.983 56.100 -0.018 0.000 0.943 169 R CB -0.866 29.439 30.300 0.007 0.000 0.846 169 R HN 0.163 nan 8.270 nan 0.000 0.431 170 A N 0.808 123.574 122.820 -0.090 0.000 1.865 170 A HA -0.144 4.167 4.320 -0.015 0.000 0.217 170 A C 2.321 179.798 177.584 -0.177 0.000 1.191 170 A CA 1.792 53.747 52.037 -0.137 0.000 0.623 170 A CB -0.830 18.041 19.000 -0.215 0.000 0.826 170 A HN 0.376 nan 8.150 nan 0.000 0.444 171 L N -1.063 120.000 121.223 -0.267 0.000 2.127 171 L HA -0.229 4.101 4.340 -0.015 0.000 0.211 171 L C 2.549 179.408 176.870 -0.019 0.000 1.089 171 L CA 1.875 56.488 54.840 -0.377 0.000 0.757 171 L CB -0.730 41.063 42.059 -0.444 0.000 0.899 171 L HN 0.524 nan 8.230 nan 0.000 0.434 172 E N -0.167 120.014 120.200 -0.032 0.000 2.107 172 E HA -0.121 4.220 4.350 -0.015 0.000 0.191 172 E C 1.626 178.185 176.600 -0.069 0.000 0.982 172 E CA 0.722 57.117 56.400 -0.008 0.000 0.809 172 E CB 0.294 29.989 29.700 -0.009 0.000 0.756 172 E HN 0.219 nan 8.360 nan 0.000 0.459 173 K N -0.232 120.097 120.400 -0.118 0.000 2.358 173 K HA 0.248 4.559 4.320 -0.015 0.000 0.197 173 K C 1.424 177.805 176.600 -0.365 0.000 1.025 173 K CA 0.292 56.410 56.287 -0.281 0.000 1.104 173 K CB 0.957 33.256 32.500 -0.336 0.000 0.855 173 K HN 0.021 nan 8.250 nan 0.000 0.531 174 A N 1.943 124.668 122.820 -0.158 0.000 1.873 174 A HA -0.270 4.041 4.320 -0.015 0.000 0.218 174 A C 2.227 179.716 177.584 -0.159 0.000 1.193 174 A CA 2.133 54.171 52.037 0.000 0.000 0.629 174 A CB -0.429 18.811 19.000 0.400 0.000 0.826 174 A HN 0.476 nan 8.150 nan 0.000 0.447 175 E N -0.398 119.403 120.200 -0.664 0.000 2.049 175 E HA -0.288 4.052 4.350 -0.015 0.000 0.198 175 E C 2.060 178.250 176.600 -0.683 0.000 1.007 175 E CA 1.634 57.146 56.400 -1.480 0.000 0.809 175 E CB -0.276 28.401 29.700 -1.705 0.000 0.749 175 E HN 0.730 nan 8.360 nan 0.000 0.450 176 E N -0.437 119.471 120.200 -0.487 0.000 2.153 176 E HA -0.217 4.123 4.350 -0.015 0.000 0.194 176 E C 1.816 178.273 176.600 -0.238 0.000 0.988 176 E CA 0.905 57.117 56.400 -0.314 0.000 0.811 176 E CB -0.115 29.422 29.700 -0.273 0.000 0.746 176 E HN 0.393 nan 8.360 nan 0.000 0.466 177 A N 0.661 123.299 122.820 -0.303 0.000 1.854 177 A HA -0.018 4.293 4.320 -0.015 0.000 0.214 177 A C 2.442 180.014 177.584 -0.021 0.000 1.192 177 A CA 1.429 53.378 52.037 -0.147 0.000 0.611 177 A CB -1.166 17.743 19.000 -0.152 0.000 0.832 177 A HN 0.426 nan 8.150 nan 0.000 0.442 178 G N 0.203 109.040 108.800 0.063 0.000 2.440 178 G HA2 -0.309 3.642 3.960 -0.015 0.000 0.218 178 G HA3 -0.309 3.642 3.960 -0.015 0.000 0.218 178 G C 1.425 176.402 174.900 0.129 0.000 1.154 178 G CA 1.173 46.385 45.100 0.188 0.000 0.767 178 G HN 0.517 nan 8.290 nan 0.000 0.552 179 N N 0.423 119.180 118.700 0.094 0.000 2.166 179 N HA -0.017 4.713 4.740 -0.015 0.000 0.186 179 N C 2.272 177.770 175.510 -0.019 0.000 1.019 179 N CA 0.568 53.652 53.050 0.057 0.000 0.856 179 N CB -0.343 38.153 38.487 0.015 0.000 0.993 179 N HN 0.283 nan 8.380 nan 0.000 0.426 180 L N 0.451 121.646 121.223 -0.047 0.000 2.127 180 L HA -0.103 4.227 4.340 -0.015 0.000 0.211 180 L C 2.347 179.092 176.870 -0.208 0.000 1.089 180 L CA 0.921 55.711 54.840 -0.083 0.000 0.757 180 L CB -0.170 41.865 42.059 -0.040 0.000 0.899 180 L HN 0.200 nan 8.230 nan 0.000 0.434 181 M N -1.105 118.348 119.600 -0.245 0.000 2.193 181 M HA -0.172 4.299 4.480 -0.015 0.000 0.265 181 M C 2.236 178.301 176.300 -0.391 0.000 1.071 181 M CA 1.457 56.425 55.300 -0.554 0.000 1.140 181 M CB -0.115 32.316 32.600 -0.281 0.000 1.369 181 M HN 0.205 nan 8.290 nan 0.000 0.423 182 L N -0.066 121.085 121.223 -0.120 0.000 2.081 182 L HA -0.257 4.074 4.340 -0.015 0.000 0.212 182 L C 2.052 178.890 176.870 -0.053 0.000 1.080 182 L CA 1.401 56.225 54.840 -0.026 0.000 0.754 182 L CB -0.599 41.489 42.059 0.048 0.000 0.893 182 L HN 0.401 nan 8.230 nan 0.000 0.433 183 Q N -0.294 119.453 119.800 -0.088 0.000 2.482 183 Q HA 0.058 4.389 4.340 -0.015 0.000 0.209 183 Q C 1.363 177.307 176.000 -0.094 0.000 0.961 183 Q CA 0.535 56.299 55.803 -0.065 0.000 0.945 183 Q CB 0.256 28.963 28.738 -0.052 0.000 1.012 183 Q HN 0.615 nan 8.270 nan 0.000 0.515 184 G N 1.807 110.482 108.800 -0.208 0.000 2.148 184 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.254 184 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.254 184 G C 0.038 174.815 174.900 -0.204 0.000 0.981 184 G CA 0.068 45.057 45.100 -0.185 0.000 0.670 184 G HN 0.277 nan 8.290 nan 0.000 0.528 185 K N 0.315 120.534 120.400 -0.301 0.000 2.559 185 K HA 0.474 4.785 4.320 -0.015 0.000 0.236 185 K C 0.952 177.448 176.600 -0.174 0.000 1.185 185 K CA -0.714 55.488 56.287 -0.143 0.000 1.157 185 K CB -0.174 32.277 32.500 -0.081 0.000 1.782 185 K HN 0.257 nan 8.250 nan 0.000 0.419 186 F N 0.600 120.577 119.950 0.045 0.000 2.186 186 F HA -0.193 4.324 4.527 -0.016 0.000 0.299 186 F C 1.766 177.607 175.800 0.069 0.000 1.090 186 F CA 1.040 59.069 58.000 0.048 0.000 1.307 186 F CB 0.012 39.025 39.000 0.021 0.000 1.019 186 F HN 0.326 nan 8.300 nan 0.000 0.489 187 D N 0.318 120.853 120.400 0.224 0.000 2.097 187 D HA -0.165 4.466 4.640 -0.015 0.000 0.195 187 D C 1.848 178.233 176.300 0.141 0.000 0.989 187 D CA 1.423 55.526 54.000 0.171 0.000 0.827 187 D CB -0.504 40.364 40.800 0.114 0.000 0.966 187 D HN 0.167 nan 8.370 nan 0.000 0.456 188 D N 0.206 120.655 120.400 0.082 0.000 2.104 188 D HA -0.111 4.520 4.640 -0.015 0.000 0.194 188 D C 1.999 178.334 176.300 0.058 0.000 0.994 188 D CA 1.485 55.511 54.000 0.042 0.000 0.830 188 D CB -0.392 40.418 40.800 0.016 0.000 0.959 188 D HN 0.145 nan 8.370 nan 0.000 0.452 189 A N -0.113 122.762 122.820 0.092 0.000 1.908 189 A HA -0.230 4.080 4.320 -0.015 0.000 0.218 189 A C 2.212 179.896 177.584 0.167 0.000 1.181 189 A CA 1.438 53.564 52.037 0.149 0.000 0.627 189 A CB -0.997 18.067 19.000 0.106 0.000 0.818 189 A HN 0.356 nan 8.150 nan 0.000 0.445 190 Y N 0.507 120.833 120.300 0.042 0.000 2.133 190 Y HA -0.220 4.324 4.550 -0.009 0.000 0.287 190 Y C 2.510 178.383 175.900 -0.044 0.000 1.134 190 Y CA 2.210 60.307 58.100 -0.005 0.000 1.133 190 Y CB -0.743 37.705 38.460 -0.020 0.000 0.987 190 Y HN 0.443 nan 8.280 nan 0.000 0.502 191 Q N -0.262 119.444 119.800 -0.156 0.000 2.135 191 Q HA -0.195 4.136 4.340 -0.015 0.000 0.204 191 Q C 2.303 178.132 176.000 -0.285 0.000 0.981 191 Q CA 1.935 57.581 55.803 -0.262 0.000 0.856 191 Q CB -0.201 28.487 28.738 -0.083 0.000 0.902 191 Q HN 0.504 nan 8.270 nan 0.000 0.425 192 L N -0.791 120.269 121.223 -0.272 0.000 2.209 192 L HA -0.072 4.259 4.340 -0.015 0.000 0.207 192 L C 1.217 177.650 176.870 -0.728 0.000 1.094 192 L CA 0.904 55.435 54.840 -0.515 0.000 0.790 192 L CB -0.021 41.648 42.059 -0.650 0.000 0.932 192 L HN 0.408 nan 8.230 nan 0.000 0.447 193 H N -1.268 117.734 119.070 -0.114 0.000 3.052 193 H HA 0.181 4.734 4.556 -0.004 0.000 0.257 193 H C -0.034 175.219 175.328 -0.125 0.000 1.193 193 H CA -0.142 55.849 56.048 -0.094 0.000 1.072 193 H CB 0.840 30.565 29.762 -0.060 0.000 1.685 193 H HN 0.082 nan 8.280 nan 0.000 0.630 194 Q N 0.290 119.982 119.800 -0.180 0.000 2.480 194 Q HA -0.182 4.148 4.340 -0.015 0.000 0.265 194 Q C -0.244 175.759 176.000 0.005 0.000 1.072 194 Q CA 0.808 56.451 55.803 -0.267 0.000 1.018 194 Q CB -1.905 26.682 28.738 -0.253 0.000 1.433 194 Q HN 0.528 nan 8.270 nan 0.000 0.513 195 M N -0.098 119.561 119.600 0.099 0.000 2.208 195 M HA 0.545 5.015 4.480 -0.015 0.000 0.352 195 M C 0.814 177.221 176.300 0.179 0.000 1.137 195 M CA 0.302 55.661 55.300 0.097 0.000 1.091 195 M CB 0.972 33.611 32.600 0.065 0.000 1.309 195 M HN 0.405 nan 8.290 nan 0.000 0.408 196 G N 0.492 109.377 108.800 0.142 0.000 2.439 196 G HA2 0.402 4.352 3.960 -0.015 0.000 0.186 196 G HA3 0.402 4.352 3.960 -0.015 0.000 0.186 196 G C -0.066 174.709 174.900 -0.208 0.000 1.260 196 G CA 0.077 45.198 45.100 0.034 0.000 1.020 196 G HN 0.919 nan 8.290 nan 0.000 0.470 197 G N -0.229 108.230 108.800 -0.568 0.000 3.031 197 G HA2 0.405 4.356 3.960 -0.015 0.000 0.289 197 G HA3 0.405 4.356 3.960 -0.015 0.000 0.289 197 G C 0.835 175.492 174.900 -0.406 0.000 1.393 197 G CA 2.468 47.080 45.100 -0.814 0.000 1.010 197 G HN 2.958 nan 8.290 nan 0.000 0.579 198 A N -2.536 120.096 122.820 -0.313 0.000 2.522 198 A HA 0.655 4.966 4.320 -0.015 0.000 0.291 198 A C -1.209 176.278 177.584 -0.162 0.000 1.039 198 A CA -0.090 51.850 52.037 -0.162 0.000 0.643 198 A CB 0.007 18.991 19.000 -0.026 0.000 1.310 198 A HN 1.545 nan 8.150 nan 0.000 0.436 199 Y N -0.458 119.853 120.300 0.018 0.000 2.307 199 Y HA 0.484 5.026 4.550 -0.013 0.000 0.324 199 Y C -0.154 175.843 175.900 0.161 0.000 1.238 199 Y CA 0.704 58.836 58.100 0.053 0.000 1.280 199 Y CB 1.084 39.546 38.460 0.004 0.000 1.248 199 Y HN 0.628 nan 8.280 nan 0.000 0.508 200 Y N 2.401 122.834 120.300 0.223 0.000 2.385 200 Y HA 0.459 5.001 4.550 -0.015 0.000 0.341 200 Y C -0.709 175.283 175.900 0.153 0.000 0.965 200 Y CA -1.177 57.084 58.100 0.267 0.000 1.180 200 Y CB 0.377 39.038 38.460 0.335 0.000 1.139 200 Y HN 0.331 nan 8.280 nan 0.000 0.502 201 V N 8.021 127.716 119.914 -0.365 0.000 2.479 201 V HA 0.184 4.295 4.120 -0.015 0.000 0.281 201 V C -0.125 175.575 176.094 -0.656 0.000 1.031 201 V CA -0.070 61.932 62.300 -0.497 0.000 1.038 201 V CB 0.362 31.826 31.823 -0.599 0.000 0.981 201 V HN 0.609 nan 8.190 nan 0.000 0.478 202 V N 4.819 124.469 119.914 -0.440 0.000 2.540 202 V HA 0.612 4.723 4.120 -0.015 0.000 0.302 202 V C -1.026 174.852 176.094 -0.360 0.000 1.035 202 V CA -0.837 61.295 62.300 -0.279 0.000 0.873 202 V CB 1.501 33.344 31.823 0.034 0.000 0.992 202 V HN 0.594 nan 8.190 nan 0.000 0.428 203 Y N 4.753 125.018 120.300 -0.058 0.000 2.336 203 Y HA 0.644 5.185 4.550 -0.015 0.000 0.335 203 Y C 0.932 176.805 175.900 -0.045 0.000 1.046 203 Y CA -0.288 57.776 58.100 -0.061 0.000 1.198 203 Y CB 0.944 39.364 38.460 -0.068 0.000 1.182 203 Y HN 0.557 nan 8.280 nan 0.000 0.502 204 R N 1.725 122.282 120.500 0.095 0.000 2.711 204 R HA 0.767 5.097 4.340 -0.015 0.000 0.284 204 R C -0.593 175.678 176.300 -0.048 0.000 0.968 204 R CA -1.114 54.985 56.100 -0.002 0.000 0.924 204 R CB 1.896 32.192 30.300 -0.008 0.000 1.162 204 R HN 0.764 nan 8.270 nan 0.000 0.465 205 A N 1.622 124.355 122.820 -0.145 0.000 2.322 205 A HA 0.181 4.491 4.320 -0.015 0.000 0.269 205 A C -0.155 177.348 177.584 -0.135 0.000 1.094 205 A CA -0.149 51.802 52.037 -0.143 0.000 0.807 205 A CB 0.702 19.586 19.000 -0.193 0.000 1.047 205 A HN 0.472 nan 8.150 nan 0.000 0.487 206 Q N 1.409 121.136 119.800 -0.122 0.000 2.965 206 Q HA 0.159 4.489 4.340 -0.015 0.000 0.288 206 Q C 1.024 176.925 176.000 -0.165 0.000 0.974 206 Q CA 0.353 56.082 55.803 -0.124 0.000 0.849 206 Q CB 0.916 29.588 28.738 -0.111 0.000 1.280 206 Q HN 1.044 nan 8.270 nan 0.000 0.441 207 S N -0.305 115.320 115.700 -0.126 0.000 2.444 207 S HA -0.121 4.340 4.470 -0.015 0.000 0.244 207 S C 0.863 175.390 174.600 -0.122 0.000 1.025 207 S CA 1.444 59.590 58.200 -0.091 0.000 0.995 207 S CB -0.390 62.806 63.200 -0.007 0.000 0.781 207 S HN 0.527 nan 8.310 nan 0.000 0.496 208 T N -1.648 112.827 114.554 -0.132 0.000 2.928 208 T HA 0.709 5.050 4.350 -0.015 0.000 0.296 208 T C -1.431 173.215 174.700 -0.090 0.000 1.000 208 T CA -0.851 61.222 62.100 -0.045 0.000 0.989 208 T CB 2.218 71.131 68.868 0.076 0.000 1.005 208 T HN 0.089 nan 8.240 nan 0.000 0.442 209 D N 0.870 121.264 120.400 -0.011 0.000 2.610 209 D HA 0.665 5.295 4.640 -0.015 0.000 0.271 209 D C -0.422 175.956 176.300 0.130 0.000 1.174 209 D CA -0.511 53.496 54.000 0.010 0.000 0.949 209 D CB 2.126 42.878 40.800 -0.080 0.000 1.430 209 D HN 0.920 nan 8.370 nan 0.000 0.467 210 A N 0.779 123.629 122.820 0.051 0.000 2.498 210 A HA 0.533 4.844 4.320 -0.015 0.000 0.239 210 A C -0.156 177.438 177.584 0.016 0.000 1.068 210 A CA 0.393 52.457 52.037 0.044 0.000 0.766 210 A CB -0.111 18.895 19.000 0.011 0.000 1.003 210 A HN 0.457 nan 8.150 nan 0.000 0.497 211 I N 1.379 121.983 120.570 0.056 0.000 2.680 211 I HA 0.365 4.526 4.170 -0.015 0.000 0.291 211 I C -0.040 176.212 176.117 0.225 0.000 1.244 211 I CA -0.329 60.982 61.300 0.019 0.000 1.042 211 I CB 2.849 40.822 38.000 -0.046 0.000 1.277 211 I HN 0.844 nan 8.210 nan 0.000 0.423 212 T N 2.696 117.351 114.554 0.169 0.000 2.907 212 T HA 0.713 5.054 4.350 -0.015 0.000 0.290 212 T C -1.041 173.688 174.700 0.049 0.000 1.066 212 T CA -0.814 61.416 62.100 0.218 0.000 1.012 212 T CB 2.325 71.262 68.868 0.115 0.000 1.184 212 T HN 0.318 nan 8.240 nan 0.000 0.522 213 L N 2.217 123.405 121.223 -0.058 0.000 2.337 213 L HA 0.426 4.757 4.340 -0.015 0.000 0.269 213 L C -0.412 176.332 176.870 -0.209 0.000 1.018 213 L CA -0.472 54.126 54.840 -0.404 0.000 0.876 213 L CB 0.542 42.203 42.059 -0.663 0.000 1.236 213 L HN 0.822 nan 8.230 nan 0.000 0.436 214 D N 7.081 127.377 120.400 -0.173 0.000 2.455 214 D HA 0.009 4.640 4.640 -0.015 0.000 0.265 214 D C -1.475 174.757 176.300 -0.112 0.000 1.284 214 D CA -1.187 52.754 54.000 -0.099 0.000 0.944 214 D CB 1.347 42.103 40.800 -0.073 0.000 1.121 214 D HN 0.438 nan 8.370 nan 0.000 0.525 215 P HA -0.199 nan 4.420 nan 0.000 0.218 215 P C 1.011 178.278 177.300 -0.055 0.000 1.148 215 P CA 0.991 64.055 63.100 -0.061 0.000 0.822 215 P CB 0.430 32.112 31.700 -0.029 0.000 0.784 216 K N 0.122 120.495 120.400 -0.045 0.000 1.965 216 K HA -0.086 4.225 4.320 -0.015 0.000 0.214 216 K C 2.349 178.923 176.600 -0.043 0.000 1.046 216 K CA 2.299 58.565 56.287 -0.035 0.000 0.944 216 K CB -1.793 30.692 32.500 -0.025 0.000 0.726 216 K HN 0.308 nan 8.250 nan 0.000 0.441 217 T N -2.045 112.479 114.554 -0.050 0.000 2.951 217 T HA 0.025 4.365 4.350 -0.015 0.000 0.268 217 T C 1.535 176.190 174.700 -0.074 0.000 1.073 217 T CA 1.432 63.502 62.100 -0.050 0.000 1.134 217 T CB -0.286 68.557 68.868 -0.041 0.000 0.884 217 T HN 0.474 nan 8.240 nan 0.000 0.479 218 G N 1.213 109.942 108.800 -0.118 0.000 2.148 218 G HA2 -0.210 3.741 3.960 -0.015 0.000 0.254 218 G HA3 -0.210 3.741 3.960 -0.015 0.000 0.254 218 G C 0.034 174.794 174.900 -0.232 0.000 0.981 218 G CA 0.309 45.311 45.100 -0.164 0.000 0.670 218 G HN 0.650 nan 8.290 nan 0.000 0.528 219 K N -0.568 119.710 120.400 -0.202 0.000 2.123 219 K HA 0.725 5.036 4.320 -0.015 0.000 0.248 219 K C -0.003 176.446 176.600 -0.252 0.000 0.969 219 K CA -0.818 55.379 56.287 -0.149 0.000 0.882 219 K CB 0.929 33.417 32.500 -0.020 0.000 1.080 219 K HN 0.050 nan 8.250 nan 0.000 0.441 220 F N 0.002 119.944 119.950 -0.012 0.000 2.378 220 F HA 0.346 4.864 4.527 -0.015 0.000 0.325 220 F C 0.346 176.210 175.800 0.107 0.000 1.097 220 F CA -0.647 57.356 58.000 0.005 0.000 1.079 220 F CB 1.173 40.207 39.000 0.056 0.000 1.240 220 F HN -0.049 nan 8.300 nan 0.000 0.519 221 V N 1.258 121.291 119.914 0.198 0.000 2.482 221 V HA 0.293 4.403 4.120 -0.015 0.000 0.295 221 V C -0.686 175.271 176.094 -0.229 0.000 1.026 221 V CA -1.123 61.198 62.300 0.034 0.000 0.856 221 V CB 1.425 33.255 31.823 0.012 0.000 1.001 221 V HN 0.782 nan 8.190 nan 0.000 0.424 222 S N 3.283 118.641 115.700 -0.569 0.000 2.545 222 S HA 0.411 4.872 4.470 -0.015 0.000 0.275 222 S C -0.136 174.298 174.600 -0.276 0.000 1.299 222 S CA -0.649 57.105 58.200 -0.744 0.000 1.048 222 S CB 0.855 63.369 63.200 -1.143 0.000 0.938 222 S HN 0.792 nan 8.310 nan 0.000 0.496 223 K N 2.164 122.460 120.400 -0.173 0.000 2.436 223 K HA 0.002 4.312 4.320 -0.015 0.000 0.282 223 K C -0.758 175.803 176.600 -0.064 0.000 1.044 223 K CA -0.150 56.087 56.287 -0.083 0.000 1.028 223 K CB -0.045 32.426 32.500 -0.049 0.000 0.919 223 K HN 0.579 nan 8.250 nan 0.000 0.474 224 D N 3.324 123.700 120.400 -0.041 0.000 2.423 224 D HA 0.072 4.703 4.640 -0.015 0.000 0.238 224 D C -0.233 176.046 176.300 -0.034 0.000 1.142 224 D CA 0.484 54.469 54.000 -0.025 0.000 0.884 224 D CB 0.607 41.404 40.800 -0.006 0.000 1.199 224 D HN 0.346 nan 8.370 nan 0.000 0.438 225 R N 2.259 122.732 120.500 -0.045 0.000 2.435 225 R HA 0.266 4.597 4.340 -0.015 0.000 0.308 225 R C -0.351 175.880 176.300 -0.115 0.000 0.975 225 R CA -0.801 55.258 56.100 -0.068 0.000 0.867 225 R CB 1.127 31.387 30.300 -0.066 0.000 1.171 225 R HN 0.378 nan 8.270 nan 0.000 0.470 226 M N 2.855 122.381 119.600 -0.124 0.000 2.245 226 M HA 0.202 4.672 4.480 -0.015 0.000 0.344 226 M C 0.558 176.682 176.300 -0.293 0.000 1.170 226 M CA -0.196 54.984 55.300 -0.200 0.000 1.135 226 M CB 0.547 33.059 32.600 -0.146 0.000 1.574 226 M HN 0.378 nan 8.290 nan 0.000 0.452 227 V N -0.236 119.377 119.914 -0.500 0.000 3.078 227 V HA 1.001 5.112 4.120 -0.015 0.000 0.311 227 V C -0.690 175.042 176.094 -0.603 0.000 1.138 227 V CA -1.307 60.688 62.300 -0.508 0.000 1.007 227 V CB 1.625 33.131 31.823 -0.528 0.000 1.045 227 V HN 0.943 nan 8.190 nan 0.000 0.432 228 A N 2.160 124.761 122.820 -0.364 0.000 2.317 228 A HA 0.800 5.110 4.320 -0.015 0.000 0.327 228 A C -0.281 177.331 177.584 0.047 0.000 1.178 228 A CA -0.341 51.519 52.037 -0.295 0.000 0.817 228 A CB 0.644 19.448 19.000 -0.327 0.000 1.189 228 A HN 1.190 nan 8.150 nan 0.000 0.489 229 D N 1.007 121.502 120.400 0.158 0.000 2.411 229 D HA 0.133 4.763 4.640 -0.015 0.000 0.251 229 D C 0.833 177.068 176.300 -0.109 0.000 1.201 229 D CA -0.694 53.418 54.000 0.186 0.000 0.996 229 D CB 0.116 41.073 40.800 0.261 0.000 1.101 229 D HN 0.371 nan 8.370 nan 0.000 0.504 230 F N 0.348 119.820 119.950 -0.796 0.000 2.091 230 F HA -0.233 4.285 4.527 -0.016 0.000 0.299 230 F C 2.028 177.576 175.800 -0.419 0.000 1.103 230 F CA 1.753 59.093 58.000 -1.100 0.000 1.228 230 F CB -0.003 38.119 39.000 -1.463 0.000 0.984 230 F HN 0.225 nan 8.300 nan 0.000 0.477 231 E N -0.150 119.928 120.200 -0.203 0.000 2.070 231 E HA -0.308 4.032 4.350 -0.015 0.000 0.197 231 E C 2.106 178.595 176.600 -0.185 0.000 1.004 231 E CA 1.924 58.194 56.400 -0.217 0.000 0.805 231 E CB -1.073 28.617 29.700 -0.017 0.000 0.744 231 E HN 0.696 nan 8.360 nan 0.000 0.451 232 Y N 0.838 121.034 120.300 -0.172 0.000 2.097 232 Y HA -0.282 4.258 4.550 -0.016 0.000 0.282 232 Y C 2.371 178.176 175.900 -0.158 0.000 1.152 232 Y CA 1.917 59.947 58.100 -0.115 0.000 1.136 232 Y CB -0.261 38.179 38.460 -0.033 0.000 0.975 232 Y HN 0.072 nan 8.280 nan 0.000 0.498 233 A N -0.190 122.711 122.820 0.135 0.000 1.927 233 A HA -0.284 4.027 4.320 -0.015 0.000 0.220 233 A C 2.170 179.694 177.584 -0.099 0.000 1.185 233 A CA 2.878 54.951 52.037 0.060 0.000 0.639 233 A CB -1.617 17.450 19.000 0.112 0.000 0.820 233 A HN 0.535 nan 8.150 nan 0.000 0.451 234 V N -2.454 117.255 119.914 -0.343 0.000 2.719 234 V HA -0.040 4.071 4.120 -0.015 0.000 0.252 234 V C 1.972 177.927 176.094 -0.232 0.000 1.065 234 V CA 1.898 63.990 62.300 -0.346 0.000 1.086 234 V CB -1.559 29.894 31.823 -0.616 0.000 0.700 234 V HN 0.707 nan 8.190 nan 0.000 0.467 235 T N -2.453 111.963 114.554 -0.229 0.000 3.244 235 T HA 0.422 4.762 4.350 -0.015 0.000 0.254 235 T C 1.543 176.131 174.700 -0.187 0.000 1.024 235 T CA 0.441 62.425 62.100 -0.193 0.000 0.920 235 T CB -0.256 68.489 68.868 -0.206 0.000 1.042 235 T HN 1.321 nan 8.240 nan 0.000 0.572 236 G N 0.607 109.324 108.800 -0.137 0.000 2.309 236 G HA2 -0.025 3.926 3.960 -0.015 0.000 0.286 236 G HA3 -0.025 3.926 3.960 -0.015 0.000 0.286 236 G C 1.095 175.871 174.900 -0.205 0.000 1.002 236 G CA 0.660 45.698 45.100 -0.103 0.000 0.786 236 G HN 1.831 nan 8.290 nan 0.000 0.511 237 G N -1.706 106.782 108.800 -0.520 0.000 2.352 237 G HA2 -0.251 3.699 3.960 -0.015 0.000 0.204 237 G HA3 -0.251 3.699 3.960 -0.015 0.000 0.204 237 G C 1.016 175.487 174.900 -0.714 0.000 1.004 237 G CA 0.904 45.358 45.100 -1.078 0.000 0.648 237 G HN 0.575 nan 8.290 nan 0.000 0.491 238 E N 0.746 120.717 120.200 -0.381 0.000 2.055 238 E HA -0.168 4.173 4.350 -0.015 0.000 0.209 238 E C 1.669 178.130 176.600 -0.232 0.000 1.036 238 E CA 1.817 58.075 56.400 -0.238 0.000 0.849 238 E CB -0.092 29.509 29.700 -0.165 0.000 0.767 238 E HN 0.710 nan 8.360 nan 0.000 0.461 239 Q N -1.710 117.949 119.800 -0.236 0.000 3.067 239 Q HA 0.497 4.828 4.340 -0.015 0.000 0.200 239 Q C 0.263 176.177 176.000 -0.142 0.000 1.068 239 Q CA 0.106 55.816 55.803 -0.156 0.000 0.800 239 Q CB 1.188 29.865 28.738 -0.102 0.000 2.832 239 Q HN 0.324 nan 8.270 nan 0.000 0.405 240 G N 0.182 108.964 108.800 -0.030 0.000 2.752 240 G HA2 -0.143 3.808 3.960 -0.015 0.000 0.234 240 G HA3 -0.143 3.808 3.960 -0.015 0.000 0.234 240 G C -0.658 174.366 174.900 0.207 0.000 1.367 240 G CA -0.169 44.982 45.100 0.085 0.000 0.879 240 G HN 1.031 nan 8.290 nan 0.000 0.563 241 S N -1.648 114.258 115.700 0.345 0.000 2.588 241 S HA 0.758 5.218 4.470 -0.015 0.000 0.275 241 S C -1.151 173.676 174.600 0.379 0.000 1.130 241 S CA -0.529 57.900 58.200 0.381 0.000 0.855 241 S CB 2.363 65.695 63.200 0.221 0.000 1.116 241 S HN 1.970 nan 8.310 nan 0.000 0.472 242 L N 2.243 123.623 121.223 0.262 0.000 2.356 242 L HA 0.913 5.243 4.340 -0.015 0.000 0.277 242 L C -1.468 175.501 176.870 0.166 0.000 0.996 242 L CA -0.719 54.091 54.840 -0.050 0.000 0.822 242 L CB 0.862 42.787 42.059 -0.224 0.000 1.256 242 L HN 0.874 nan 8.230 nan 0.000 0.413 243 F N 2.694 122.605 119.950 -0.065 0.000 2.711 243 F HA 0.925 5.442 4.527 -0.016 0.000 0.313 243 F C -0.485 175.299 175.800 -0.027 0.000 1.141 243 F CA -1.140 56.844 58.000 -0.026 0.000 0.941 243 F CB 0.632 39.627 39.000 -0.008 0.000 1.349 243 F HN 0.626 nan 8.300 nan 0.000 0.464 244 A N 1.271 124.158 122.820 0.111 0.000 2.401 244 A HA 0.718 5.029 4.320 -0.015 0.000 0.259 244 A C 0.238 177.861 177.584 0.064 0.000 1.103 244 A CA 0.020 52.064 52.037 0.012 0.000 0.789 244 A CB -0.333 18.704 19.000 0.061 0.000 1.035 244 A HN 1.517 nan 8.150 nan 0.000 0.491 245 A N 1.958 124.742 122.820 -0.060 0.000 2.346 245 A HA 0.531 4.842 4.320 -0.015 0.000 0.252 245 A C 0.751 178.385 177.584 0.084 0.000 1.089 245 A CA 0.218 52.258 52.037 0.006 0.000 0.797 245 A CB 0.185 19.148 19.000 -0.062 0.000 1.047 245 A HN 1.244 nan 8.150 nan 0.000 0.494 246 S N -0.407 115.359 115.700 0.109 0.000 2.410 246 S HA 0.281 4.742 4.470 -0.015 0.000 0.304 246 S C 0.594 175.271 174.600 0.130 0.000 1.095 246 S CA -0.549 57.721 58.200 0.116 0.000 1.089 246 S CB 0.042 63.307 63.200 0.109 0.000 0.968 246 S HN 0.581 nan 8.310 nan 0.000 0.480 247 K N 2.490 122.986 120.400 0.161 0.000 2.417 247 K HA 0.064 4.375 4.320 -0.015 0.000 0.196 247 K C 0.058 176.847 176.600 0.316 0.000 1.023 247 K CA -0.129 56.299 56.287 0.235 0.000 1.122 247 K CB 0.140 32.777 32.500 0.229 0.000 0.850 247 K HN 0.563 nan 8.250 nan 0.000 0.521 248 D N 1.052 121.589 120.400 0.229 0.000 2.434 248 D HA -0.029 4.602 4.640 -0.015 0.000 0.252 248 D C 0.222 176.580 176.300 0.097 0.000 1.185 248 D CA 0.067 54.164 54.000 0.163 0.000 0.886 248 D CB 1.107 41.972 40.800 0.109 0.000 1.148 248 D HN 0.185 nan 8.370 nan 0.000 0.483 249 A N 3.271 126.106 122.820 0.025 0.000 2.415 249 A HA 0.100 4.411 4.320 -0.015 0.000 0.248 249 A C 1.953 179.499 177.584 -0.062 0.000 1.299 249 A CA -0.169 51.859 52.037 -0.015 0.000 0.899 249 A CB 0.057 19.038 19.000 -0.032 0.000 0.997 249 A HN 0.498 nan 8.150 nan 0.000 0.506 250 S N 0.922 116.595 115.700 -0.046 0.000 2.383 250 S HA -0.187 4.273 4.470 -0.015 0.000 0.227 250 S C 2.184 176.754 174.600 -0.050 0.000 1.026 250 S CA 1.344 59.512 58.200 -0.054 0.000 0.981 250 S CB -0.328 62.850 63.200 -0.037 0.000 0.818 250 S HN 0.885 nan 8.310 nan 0.000 0.472 251 R N 1.907 122.390 120.500 -0.029 0.000 2.119 251 R HA -0.126 4.205 4.340 -0.015 0.000 0.246 251 R C 1.951 178.220 176.300 -0.052 0.000 1.146 251 R CA 1.554 57.636 56.100 -0.031 0.000 0.962 251 R CB -1.237 29.068 30.300 0.009 0.000 0.863 251 R HN 0.328 nan 8.270 nan 0.000 0.442 252 L N 0.801 121.992 121.223 -0.053 0.000 2.089 252 L HA -0.217 4.114 4.340 -0.015 0.000 0.213 252 L C 2.744 179.597 176.870 -0.029 0.000 1.079 252 L CA 1.878 56.689 54.840 -0.049 0.000 0.758 252 L CB -0.630 41.250 42.059 -0.298 0.000 0.891 252 L HN 0.247 nan 8.230 nan 0.000 0.433 253 K N 0.902 121.263 120.400 -0.066 0.000 2.001 253 K HA -0.217 4.094 4.320 -0.015 0.000 0.208 253 K C 2.015 178.577 176.600 -0.064 0.000 1.048 253 K CA 1.756 58.009 56.287 -0.057 0.000 0.932 253 K CB -0.281 32.182 32.500 -0.062 0.000 0.715 253 K HN 0.282 nan 8.250 nan 0.000 0.437 254 E N -0.130 120.023 120.200 -0.079 0.000 2.153 254 E HA -0.240 4.101 4.350 -0.015 0.000 0.194 254 E C 1.827 178.338 176.600 -0.147 0.000 0.988 254 E CA 1.375 57.721 56.400 -0.091 0.000 0.811 254 E CB 0.068 29.721 29.700 -0.079 0.000 0.746 254 E HN 0.509 nan 8.360 nan 0.000 0.466 255 Q N -1.365 118.286 119.800 -0.249 0.000 2.165 255 Q HA -0.052 4.279 4.340 -0.015 0.000 0.197 255 Q C 0.762 176.375 176.000 -0.646 0.000 0.952 255 Q CA 0.897 56.386 55.803 -0.524 0.000 0.848 255 Q CB 0.321 28.527 28.738 -0.886 0.000 0.931 255 Q HN 0.402 nan 8.270 nan 0.000 0.470 256 Y N -1.338 118.961 120.300 -0.003 0.000 2.588 256 Y HA 0.375 4.916 4.550 -0.016 0.000 0.247 256 Y C 1.204 177.101 175.900 -0.005 0.000 1.157 256 Y CA 0.022 58.133 58.100 0.019 0.000 1.215 256 Y CB 1.007 39.498 38.460 0.052 0.000 1.245 256 Y HN 0.162 nan 8.280 nan 0.000 0.534 257 G N 1.275 110.108 108.800 0.056 0.000 2.166 257 G HA2 -0.329 3.622 3.960 -0.015 0.000 0.260 257 G HA3 -0.329 3.622 3.960 -0.015 0.000 0.260 257 G C 0.195 175.109 174.900 0.024 0.000 0.986 257 G CA 0.285 45.400 45.100 0.025 0.000 0.683 257 G HN 0.377 nan 8.290 nan 0.000 0.527 258 I N 1.198 121.792 120.570 0.040 0.000 2.533 258 I HA 0.155 4.316 4.170 -0.015 0.000 0.284 258 I C 0.553 176.635 176.117 -0.059 0.000 1.109 258 I CA -0.339 60.956 61.300 -0.009 0.000 1.412 258 I CB 0.690 38.665 38.000 -0.041 0.000 1.396 258 I HN 0.129 nan 8.210 nan 0.000 0.543 259 D N 6.716 127.075 120.400 -0.070 0.000 2.371 259 D HA 0.152 4.783 4.640 -0.015 0.000 0.256 259 D C -0.644 175.571 176.300 -0.141 0.000 1.193 259 D CA -0.079 53.863 54.000 -0.096 0.000 0.881 259 D CB 0.954 41.698 40.800 -0.093 0.000 1.143 259 D HN 0.126 nan 8.370 nan 0.000 0.473 260 V N 7.356 127.185 119.914 -0.142 0.000 2.304 260 V HA 0.315 4.425 4.120 -0.015 0.000 0.269 260 V C -1.591 174.396 176.094 -0.179 0.000 1.036 260 V CA -1.320 60.876 62.300 -0.173 0.000 0.840 260 V CB 0.669 32.409 31.823 -0.138 0.000 1.036 260 V HN 0.629 nan 8.190 nan 0.000 0.466 261 P HA 0.132 nan 4.420 nan 0.000 0.271 261 P C -0.417 176.845 177.300 -0.064 0.000 1.218 261 P CA -0.274 62.702 63.100 -0.208 0.000 0.780 261 P CB 0.869 32.345 31.700 -0.373 0.000 0.901 262 D N 0.998 121.390 120.400 -0.013 0.000 2.493 262 D HA 0.240 4.871 4.640 -0.015 0.000 0.240 262 D C 1.279 177.605 176.300 0.044 0.000 1.142 262 D CA 1.657 55.667 54.000 0.017 0.000 0.872 262 D CB -0.330 40.504 40.800 0.057 0.000 1.173 262 D HN 0.728 nan 8.370 nan 0.000 0.467 263 G N 2.270 110.992 108.800 -0.130 0.000 2.142 263 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.225 263 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.225 263 G C -0.267 174.175 174.900 -0.763 0.000 1.015 263 G CA -0.236 44.573 45.100 -0.484 0.000 0.716 263 G HN 0.365 nan 8.290 nan 0.000 0.508 264 F N -0.560 118.924 119.950 -0.777 0.000 2.540 264 F HA 0.843 5.361 4.527 -0.016 0.000 0.317 264 F C 0.150 175.479 175.800 -0.785 0.000 1.104 264 F CA -1.260 56.404 58.000 -0.559 0.000 0.913 264 F CB 1.544 40.361 39.000 -0.304 0.000 1.170 264 F HN -0.009 nan 8.300 nan 0.000 0.450 265 F N 0.252 120.182 119.950 -0.034 0.000 2.654 265 F HA 0.607 5.125 4.527 -0.016 0.000 0.334 265 F C -0.100 175.836 175.800 0.227 0.000 1.078 265 F CA -1.340 56.706 58.000 0.076 0.000 0.986 265 F CB 0.664 39.690 39.000 0.043 0.000 1.362 265 F HN 0.264 nan 8.300 nan 0.000 0.498 266 C N 0.911 120.473 119.300 0.436 0.000 2.595 266 C HA 0.288 4.738 4.460 -0.015 0.000 0.384 266 C C 0.482 175.691 174.990 0.365 0.000 1.289 266 C CA -0.683 58.556 59.018 0.368 0.000 2.372 266 C CB -0.016 27.897 27.740 0.290 0.000 2.593 266 C HN 0.677 nan 8.230 nan 0.000 0.639 267 E N 0.719 121.063 120.200 0.239 0.000 2.392 267 E HA 0.167 4.508 4.350 -0.015 0.000 0.259 267 E C 0.190 176.790 176.600 0.001 0.000 1.108 267 E CA -0.202 56.221 56.400 0.039 0.000 0.916 267 E CB 0.524 30.223 29.700 -0.001 0.000 0.989 267 E HN 0.485 nan 8.360 nan 0.000 0.432 268 R N 2.419 122.860 120.500 -0.099 0.000 2.340 268 R HA 0.165 4.496 4.340 -0.015 0.000 0.300 268 R C -0.522 175.744 176.300 -0.056 0.000 1.069 268 R CA -0.178 55.880 56.100 -0.070 0.000 0.984 268 R CB 0.592 30.831 30.300 -0.102 0.000 1.003 268 R HN 0.434 nan 8.270 nan 0.000 0.459 269 R N 4.116 124.594 120.500 -0.037 0.000 2.494 269 R HA 0.353 4.684 4.340 -0.015 0.000 0.305 269 R C -0.471 175.840 176.300 0.019 0.000 0.959 269 R CA -0.856 55.236 56.100 -0.014 0.000 0.864 269 R CB 2.012 32.300 30.300 -0.019 0.000 1.159 269 R HN 0.604 nan 8.270 nan 0.000 0.446 270 R N 0.674 121.202 120.500 0.047 0.000 2.604 270 R HA 0.263 4.594 4.340 -0.015 0.000 0.287 270 R C 0.204 176.575 176.300 0.118 0.000 0.970 270 R CA -0.588 55.543 56.100 0.053 0.000 0.946 270 R CB 1.740 32.040 30.300 0.001 0.000 1.127 270 R HN 0.621 nan 8.270 nan 0.000 0.473 271 T N -1.075 113.525 114.554 0.078 0.000 2.882 271 T HA 0.648 4.988 4.350 -0.015 0.000 0.287 271 T C -0.007 174.625 174.700 -0.113 0.000 1.014 271 T CA -0.716 61.349 62.100 -0.057 0.000 1.049 271 T CB 1.553 70.367 68.868 -0.091 0.000 1.001 271 T HN 0.657 nan 8.240 nan 0.000 0.525 272 A N 2.661 125.365 122.820 -0.193 0.000 2.549 272 A HA 0.692 5.003 4.320 -0.015 0.000 0.297 272 A C -0.681 176.828 177.584 -0.124 0.000 1.061 272 A CA -1.129 50.839 52.037 -0.115 0.000 0.690 272 A CB 1.604 20.575 19.000 -0.048 0.000 1.287 272 A HN 0.799 nan 8.150 nan 0.000 0.402 273 M N 1.708 121.265 119.600 -0.072 0.000 2.383 273 M HA 0.478 4.949 4.480 -0.015 0.000 0.325 273 M C 0.310 176.715 176.300 0.176 0.000 1.092 273 M CA -0.348 54.957 55.300 0.008 0.000 0.961 273 M CB 1.347 33.841 32.600 -0.176 0.000 1.672 273 M HN 0.914 nan 8.290 nan 0.000 0.438 274 G N 1.548 110.516 108.800 0.279 0.000 2.428 274 G HA2 0.561 4.512 3.960 -0.015 0.000 0.320 274 G HA3 0.561 4.512 3.960 -0.015 0.000 0.320 274 G C 0.202 175.246 174.900 0.241 0.000 1.098 274 G CA -0.462 44.795 45.100 0.262 0.000 0.984 274 G HN 0.900 nan 8.290 nan 0.000 0.444 275 G N 2.911 111.835 108.800 0.208 0.000 2.503 275 G HA2 0.543 4.494 3.960 -0.015 0.000 0.257 275 G HA3 0.543 4.494 3.960 -0.015 0.000 0.257 275 G C -2.199 172.608 174.900 -0.155 0.000 1.214 275 G CA -1.074 43.961 45.100 -0.108 0.000 0.839 275 G HN 0.466 nan 8.290 nan 0.000 0.559 276 P HA 0.019 nan 4.420 nan 0.000 0.276 276 P C 0.447 177.710 177.300 -0.062 0.000 1.264 276 P CA -0.395 62.594 63.100 -0.184 0.000 0.769 276 P CB 0.925 32.504 31.700 -0.201 0.000 0.840 277 F N 5.159 125.017 119.950 -0.154 0.000 2.154 277 F HA -0.252 4.265 4.527 -0.017 0.000 0.301 277 F C 2.278 178.042 175.800 -0.060 0.000 1.087 277 F CA 1.962 59.909 58.000 -0.088 0.000 1.274 277 F CB -0.922 38.034 39.000 -0.072 0.000 1.009 277 F HN 0.405 nan 8.300 nan 0.000 0.485 278 A N -0.319 122.418 122.820 -0.139 0.000 1.978 278 A HA -0.189 4.122 4.320 -0.015 0.000 0.220 278 A C 2.120 179.583 177.584 -0.201 0.000 1.170 278 A CA 1.914 53.840 52.037 -0.186 0.000 0.636 278 A CB -1.038 17.923 19.000 -0.064 0.000 0.810 278 A HN 0.470 nan 8.150 nan 0.000 0.448 279 L N -0.354 120.775 121.223 -0.157 0.000 2.168 279 L HA 0.089 4.420 4.340 -0.015 0.000 0.203 279 L C 1.692 178.478 176.870 -0.139 0.000 1.078 279 L CA 2.003 56.768 54.840 -0.124 0.000 0.780 279 L CB -0.705 41.286 42.059 -0.113 0.000 0.939 279 L HN 0.400 nan 8.230 nan 0.000 0.451 280 N N -0.480 118.130 118.700 -0.150 0.000 2.381 280 N HA -0.104 4.627 4.740 -0.015 0.000 0.182 280 N C 1.804 177.232 175.510 -0.137 0.000 1.025 280 N CA 0.893 53.895 53.050 -0.081 0.000 0.888 280 N CB -0.120 38.388 38.487 0.034 0.000 0.965 280 N HN 0.513 nan 8.380 nan 0.000 0.438 281 A N 2.134 124.717 122.820 -0.396 0.000 1.835 281 A HA -0.084 4.227 4.320 -0.015 0.000 0.215 281 A C -0.254 177.221 177.584 -0.182 0.000 1.199 281 A CA 1.243 53.020 52.037 -0.435 0.000 0.615 281 A CB -1.577 17.003 19.000 -0.700 0.000 0.838 281 A HN 0.182 nan 8.150 nan 0.000 0.444 282 P HA -0.159 nan 4.420 nan 0.000 0.218 282 P C 1.462 179.050 177.300 0.479 0.000 1.146 282 P CA 1.209 64.329 63.100 0.032 0.000 0.813 282 P CB -0.185 31.633 31.700 0.196 0.000 0.778 283 I N -1.066 119.677 120.570 0.290 0.000 2.233 283 I HA -0.173 3.988 4.170 -0.015 0.000 0.243 283 I C 2.770 179.138 176.117 0.418 0.000 1.093 283 I CA 1.303 62.860 61.300 0.428 0.000 1.380 283 I CB -0.627 37.511 38.000 0.229 0.000 1.067 283 I HN -0.174 nan 8.210 nan 0.000 0.413 284 M N 0.599 120.345 119.600 0.242 0.000 2.149 284 M HA -0.215 4.255 4.480 -0.015 0.000 0.261 284 M C 2.536 178.967 176.300 0.217 0.000 1.064 284 M CA 1.948 57.372 55.300 0.206 0.000 1.102 284 M CB -0.614 32.081 32.600 0.157 0.000 1.369 284 M HN 0.320 nan 8.290 nan 0.000 0.408 285 A N -0.104 122.856 122.820 0.235 0.000 1.958 285 A HA -0.142 4.169 4.320 -0.015 0.000 0.221 285 A C 2.219 179.974 177.584 0.286 0.000 1.178 285 A CA 2.139 54.333 52.037 0.262 0.000 0.642 285 A CB -0.921 18.270 19.000 0.318 0.000 0.816 285 A HN 0.354 nan 8.150 nan 0.000 0.453 286 V N -1.023 119.108 119.914 0.362 0.000 2.599 286 V HA -0.008 4.103 4.120 -0.015 0.000 0.245 286 V C 2.925 179.087 176.094 0.113 0.000 1.046 286 V CA 1.230 63.653 62.300 0.205 0.000 1.065 286 V CB -0.943 31.025 31.823 0.241 0.000 0.703 286 V HN 0.595 nan 8.190 nan 0.000 0.464 287 A N 0.064 123.005 122.820 0.202 0.000 1.908 287 A HA -0.322 3.988 4.320 -0.015 0.000 0.218 287 A C 2.172 179.753 177.584 -0.005 0.000 1.181 287 A CA 2.431 54.531 52.037 0.105 0.000 0.627 287 A CB -0.514 18.598 19.000 0.187 0.000 0.818 287 A HN 0.515 nan 8.150 nan 0.000 0.445 288 Q N 0.011 119.831 119.800 0.033 0.000 2.079 288 Q HA -0.044 4.286 4.340 -0.015 0.000 0.200 288 Q C -0.686 175.278 176.000 -0.061 0.000 0.974 288 Q CA 2.061 57.864 55.803 0.001 0.000 0.840 288 Q CB -1.216 27.549 28.738 0.046 0.000 0.898 288 Q HN 0.438 nan 8.270 nan 0.000 0.430 289 P HA -0.144 nan 4.420 nan 0.000 0.215 289 P C 1.220 178.418 177.300 -0.171 0.000 1.153 289 P CA 1.263 64.308 63.100 -0.092 0.000 0.853 289 P CB -0.011 31.645 31.700 -0.074 0.000 0.788 290 V N -0.015 119.748 119.914 -0.251 0.000 2.332 290 V HA -0.275 3.835 4.120 -0.015 0.000 0.248 290 V C 2.442 178.314 176.094 -0.369 0.000 1.055 290 V CA 1.838 63.909 62.300 -0.381 0.000 1.038 290 V CB -0.964 30.501 31.823 -0.597 0.000 0.651 290 V HN 0.107 nan 8.190 nan 0.000 0.450 291 R N 0.266 120.546 120.500 -0.366 0.000 2.091 291 R HA -0.166 4.165 4.340 -0.015 0.000 0.238 291 R C 2.221 178.200 176.300 -0.535 0.000 1.136 291 R CA 1.709 57.446 56.100 -0.606 0.000 0.959 291 R CB -0.601 29.475 30.300 -0.373 0.000 0.856 291 R HN 0.561 nan 8.270 nan 0.000 0.437 292 N N 1.061 119.624 118.700 -0.228 0.000 2.104 292 N HA -0.192 4.538 4.740 -0.015 0.000 0.190 292 N C 1.647 177.087 175.510 -0.117 0.000 1.024 292 N CA 1.236 54.220 53.050 -0.110 0.000 0.853 292 N CB -0.218 38.223 38.487 -0.076 0.000 1.008 292 N HN 0.267 nan 8.380 nan 0.000 0.424 293 K N 1.381 121.695 120.400 -0.142 0.000 1.985 293 K HA -0.058 4.252 4.320 -0.015 0.000 0.210 293 K C 2.195 178.762 176.600 -0.056 0.000 1.047 293 K CA 1.229 57.459 56.287 -0.095 0.000 0.932 293 K CB -0.206 32.252 32.500 -0.069 0.000 0.716 293 K HN 0.275 nan 8.250 nan 0.000 0.439 294 I N -1.580 118.941 120.570 -0.082 0.000 2.361 294 I HA -0.207 3.953 4.170 -0.015 0.000 0.251 294 I C 1.288 177.511 176.117 0.178 0.000 1.133 294 I CA 1.227 62.578 61.300 0.085 0.000 1.413 294 I CB -0.472 37.408 38.000 -0.201 0.000 1.073 294 I HN 0.091 nan 8.210 nan 0.000 0.424 295 Y N 2.155 122.473 120.300 0.029 0.000 2.516 295 Y HA -0.029 4.512 4.550 -0.015 0.000 0.291 295 Y C 2.920 178.756 175.900 -0.107 0.000 1.131 295 Y CA 0.290 58.398 58.100 0.013 0.000 1.281 295 Y CB -0.833 37.614 38.460 -0.021 0.000 1.013 295 Y HN 0.486 nan 8.280 nan 0.000 0.554 296 S N -0.478 115.235 115.700 0.021 0.000 2.440 296 S HA -0.033 4.428 4.470 -0.015 0.000 0.194 296 S C 2.005 176.546 174.600 -0.097 0.000 0.952 296 S CA 0.417 58.573 58.200 -0.073 0.000 0.898 296 S CB -0.480 62.664 63.200 -0.092 0.000 0.875 296 S HN 0.202 nan 8.310 nan 0.000 0.581 297 K N 0.199 120.479 120.400 -0.200 0.000 2.103 297 K HA -0.083 4.228 4.320 -0.015 0.000 0.207 297 K C 0.325 176.605 176.600 -0.534 0.000 1.048 297 K CA 1.335 57.365 56.287 -0.428 0.000 0.930 297 K CB -0.214 31.880 32.500 -0.678 0.000 0.716 297 K HN 0.544 nan 8.250 nan 0.000 0.444 298 Y N -0.415 119.954 120.300 0.115 0.000 2.774 298 Y HA 0.355 4.895 4.550 -0.016 0.000 0.305 298 Y C 1.095 177.041 175.900 0.077 0.000 1.067 298 Y CA -0.410 57.751 58.100 0.101 0.000 1.304 298 Y CB 0.112 38.664 38.460 0.153 0.000 1.209 298 Y HN 0.075 nan 8.280 nan 0.000 0.543 299 A N -0.612 122.300 122.820 0.154 0.000 2.084 299 A HA -0.283 4.028 4.320 -0.015 0.000 0.221 299 A C 1.906 179.556 177.584 0.111 0.000 1.161 299 A CA 1.625 53.756 52.037 0.157 0.000 0.653 299 A CB -0.804 18.256 19.000 0.100 0.000 0.802 299 A HN 0.643 nan 8.150 nan 0.000 0.457 300 Y N 1.491 121.795 120.300 0.006 0.000 2.114 300 Y HA -0.226 4.315 4.550 -0.016 0.000 0.284 300 Y C 2.838 178.719 175.900 -0.031 0.000 1.143 300 Y CA 2.614 60.707 58.100 -0.011 0.000 1.135 300 Y CB -0.455 37.973 38.460 -0.054 0.000 0.980 300 Y HN 0.404 nan 8.280 nan 0.000 0.499 301 T N -3.037 111.527 114.554 0.016 0.000 3.065 301 T HA 0.066 4.407 4.350 -0.015 0.000 0.252 301 T C 1.275 175.851 174.700 -0.207 0.000 1.099 301 T CA 0.551 62.533 62.100 -0.196 0.000 1.063 301 T CB -0.715 67.819 68.868 -0.557 0.000 0.948 301 T HN 0.352 nan 8.240 nan 0.000 0.506 302 F N -0.260 119.724 119.950 0.058 0.000 2.711 302 F HA 0.349 4.867 4.527 -0.015 0.000 0.296 302 F C 1.277 176.811 175.800 -0.443 0.000 1.096 302 F CA -0.869 57.112 58.000 -0.031 0.000 1.280 302 F CB 0.434 39.485 39.000 0.085 0.000 1.060 302 F HN 0.248 nan 8.300 nan 0.000 0.608 303 H N 2.197 121.020 119.070 -0.411 0.000 2.690 303 H HA 0.229 4.775 4.556 -0.016 0.000 0.289 303 H C -0.981 173.964 175.328 -0.638 0.000 1.089 303 H CA -0.226 55.502 56.048 -0.533 0.000 1.299 303 H CB 0.054 29.700 29.762 -0.193 0.000 1.405 303 H HN 0.101 nan 8.280 nan 0.000 0.463 304 H N 3.781 122.567 119.070 -0.474 0.000 2.529 304 H HA 0.158 4.705 4.556 -0.015 0.000 0.348 304 H C 0.554 175.656 175.328 -0.377 0.000 1.079 304 H CA -0.439 55.407 56.048 -0.337 0.000 1.198 304 H CB 2.198 31.900 29.762 -0.100 0.000 1.521 304 H HN 0.726 nan 8.280 nan 0.000 0.514 305 T N -0.843 113.612 114.554 -0.165 0.000 3.364 305 T HA 0.099 4.439 4.350 -0.015 0.000 0.179 305 T C 0.816 175.547 174.700 0.051 0.000 0.939 305 T CA 0.404 62.489 62.100 -0.025 0.000 1.094 305 T CB -0.359 68.440 68.868 -0.116 0.000 1.532 305 T HN 0.528 nan 8.240 nan 0.000 0.346 306 T N 0.590 115.128 114.554 -0.027 0.000 2.824 306 T HA 0.443 4.784 4.350 -0.015 0.000 0.277 306 T C 1.174 175.818 174.700 -0.093 0.000 0.975 306 T CA -0.857 61.221 62.100 -0.037 0.000 0.966 306 T CB 1.159 69.997 68.868 -0.050 0.000 1.054 306 T HN 0.450 nan 8.240 nan 0.000 0.533 307 R N -0.285 120.160 120.500 -0.092 0.000 2.120 307 R HA -0.003 4.328 4.340 -0.015 0.000 0.234 307 R C 1.806 178.099 176.300 -0.011 0.000 1.123 307 R CA 0.651 56.687 56.100 -0.107 0.000 0.975 307 R CB -0.692 29.584 30.300 -0.041 0.000 0.866 307 R HN 0.314 nan 8.270 nan 0.000 0.446 308 L N 1.250 122.465 121.223 -0.013 0.000 2.179 308 L HA -0.027 4.304 4.340 -0.015 0.000 0.208 308 L C 2.041 178.907 176.870 -0.007 0.000 1.096 308 L CA 1.395 56.239 54.840 0.006 0.000 0.779 308 L CB -0.993 41.057 42.059 -0.014 0.000 0.922 308 L HN 0.177 nan 8.230 nan 0.000 0.443 309 N N 0.205 118.883 118.700 -0.036 0.000 2.036 309 N HA -0.242 4.488 4.740 -0.015 0.000 0.195 309 N C 1.757 177.234 175.510 -0.054 0.000 1.037 309 N CA 1.779 54.801 53.050 -0.047 0.000 0.855 309 N CB 0.069 38.520 38.487 -0.061 0.000 1.033 309 N HN 0.261 nan 8.380 nan 0.000 0.423 310 K N 0.060 120.419 120.400 -0.069 0.000 2.025 310 K HA -0.149 4.162 4.320 -0.015 0.000 0.207 310 K C 2.076 178.753 176.600 0.129 0.000 1.049 310 K CA 1.350 57.599 56.287 -0.063 0.000 0.933 310 K CB -0.254 32.013 32.500 -0.387 0.000 0.714 310 K HN 0.336 nan 8.250 nan 0.000 0.438 311 E N 1.522 121.903 120.200 0.302 0.000 2.070 311 E HA -0.267 4.074 4.350 -0.015 0.000 0.197 311 E C 1.783 178.345 176.600 -0.063 0.000 1.004 311 E CA 1.558 58.058 56.400 0.168 0.000 0.805 311 E CB 0.109 29.891 29.700 0.137 0.000 0.744 311 E HN 0.278 nan 8.360 nan 0.000 0.451 312 E N 0.269 120.437 120.200 -0.052 0.000 2.033 312 E HA -0.261 4.080 4.350 -0.015 0.000 0.199 312 E C 2.162 178.680 176.600 -0.137 0.000 1.011 312 E CA 1.769 58.123 56.400 -0.076 0.000 0.815 312 E CB -0.068 29.605 29.700 -0.046 0.000 0.755 312 E HN 0.205 nan 8.360 nan 0.000 0.451 313 K N 0.310 120.585 120.400 -0.208 0.000 2.009 313 K HA -0.154 4.157 4.320 -0.015 0.000 0.210 313 K C 2.188 178.403 176.600 -0.641 0.000 1.049 313 K CA 1.476 57.574 56.287 -0.315 0.000 0.929 313 K CB -0.256 31.940 32.500 -0.507 0.000 0.714 313 K HN -0.021 nan 8.250 nan 0.000 0.440 314 V N 1.964 121.361 119.914 -0.862 0.000 2.515 314 V HA -0.215 3.896 4.120 -0.015 0.000 0.250 314 V C 2.007 177.674 176.094 -0.712 0.000 1.058 314 V CA 1.523 63.025 62.300 -1.331 0.000 1.064 314 V CB -0.402 30.854 31.823 -0.944 0.000 0.675 314 V HN 0.286 nan 8.190 nan 0.000 0.461 315 K N 0.227 120.394 120.400 -0.388 0.000 2.211 315 K HA -0.195 4.116 4.320 -0.015 0.000 0.204 315 K C 1.602 178.165 176.600 -0.062 0.000 1.047 315 K CA 1.426 57.602 56.287 -0.184 0.000 0.935 315 K CB -0.138 32.288 32.500 -0.123 0.000 0.728 315 K HN 0.623 nan 8.250 nan 0.000 0.452 316 E N -0.593 119.581 120.200 -0.044 0.000 2.445 316 E HA -0.037 4.304 4.350 -0.015 0.000 0.189 316 E C -0.319 176.494 176.600 0.354 0.000 1.069 316 E CA -0.150 56.333 56.400 0.139 0.000 0.871 316 E CB 0.161 29.966 29.700 0.175 0.000 0.991 316 E HN 0.144 nan 8.360 nan 0.000 0.481 317 W N 0.176 121.524 121.300 0.079 0.000 2.436 317 W HA 0.237 4.888 4.660 -0.016 0.000 0.347 317 W C 1.173 177.763 176.519 0.119 0.000 1.136 317 W CA -1.416 55.992 57.345 0.105 0.000 1.286 317 W CB 1.004 30.524 29.460 0.100 0.000 1.253 317 W HN -0.177 nan 8.180 nan 0.000 0.617 318 S N 0.630 116.555 115.700 0.374 0.000 2.470 318 S HA 0.110 4.571 4.470 -0.015 0.000 0.222 318 S C -0.043 174.719 174.600 0.270 0.000 1.024 318 S CA 0.155 58.521 58.200 0.277 0.000 0.931 318 S CB 0.169 63.513 63.200 0.241 0.000 0.791 318 S HN 0.255 nan 8.310 nan 0.000 0.513 319 L N 0.503 121.910 121.223 0.307 0.000 2.455 319 L HA 0.656 4.986 4.340 -0.015 0.000 0.264 319 L C -1.761 175.347 176.870 0.398 0.000 0.968 319 L CA -0.749 54.226 54.840 0.224 0.000 0.827 319 L CB 1.781 43.806 42.059 -0.056 0.000 1.317 319 L HN 0.092 nan 8.230 nan 0.000 0.407 320 C N 5.419 124.939 119.300 0.366 0.000 2.407 320 C HA 0.792 5.242 4.460 -0.015 0.000 0.328 320 C C -0.834 174.261 174.990 0.175 0.000 1.137 320 C CA -0.463 58.833 59.018 0.463 0.000 1.390 320 C CB 0.363 28.426 27.740 0.539 0.000 1.989 320 C HN 0.622 nan 8.230 nan 0.000 0.432 321 V N 6.236 126.216 119.914 0.111 0.000 2.370 321 V HA 0.612 4.722 4.120 -0.015 0.000 0.279 321 V C 0.766 176.840 176.094 -0.032 0.000 1.029 321 V CA -0.042 62.156 62.300 -0.169 0.000 0.870 321 V CB 1.352 33.107 31.823 -0.112 0.000 0.984 321 V HN 1.028 nan 8.190 nan 0.000 0.451 322 A N 4.340 127.148 122.820 -0.021 0.000 2.366 322 A HA 0.622 4.933 4.320 -0.015 0.000 0.322 322 A C 0.681 178.319 177.584 0.090 0.000 1.397 322 A CA -0.302 51.777 52.037 0.069 0.000 0.984 322 A CB 0.056 19.145 19.000 0.149 0.000 1.149 322 A HN 0.898 nan 8.150 nan 0.000 0.540 323 T N -0.591 113.995 114.554 0.053 0.000 2.732 323 T HA 0.554 4.894 4.350 -0.015 0.000 0.287 323 T C -0.513 174.271 174.700 0.140 0.000 0.993 323 T CA -0.284 61.885 62.100 0.116 0.000 0.966 323 T CB 1.099 70.042 68.868 0.125 0.000 1.047 323 T HN 0.464 nan 8.240 nan 0.000 0.527 324 D N -0.461 120.043 120.400 0.173 0.000 2.738 324 D HA 0.408 5.039 4.640 -0.015 0.000 0.218 324 D C -1.139 175.264 176.300 0.172 0.000 1.345 324 D CA -0.485 53.604 54.000 0.149 0.000 0.943 324 D CB 1.616 42.460 40.800 0.073 0.000 1.514 324 D HN 0.546 nan 8.370 nan 0.000 0.585 325 V N 1.947 121.982 119.914 0.202 0.000 2.644 325 V HA 0.594 4.704 4.120 -0.015 0.000 0.295 325 V C 0.535 176.730 176.094 0.167 0.000 1.053 325 V CA -0.744 61.676 62.300 0.201 0.000 0.987 325 V CB 1.627 33.615 31.823 0.276 0.000 1.006 325 V HN 0.594 nan 8.190 nan 0.000 0.472 326 S N 2.427 118.208 115.700 0.136 0.000 2.457 326 S HA 0.293 4.753 4.470 -0.015 0.000 0.289 326 S C 0.262 175.043 174.600 0.302 0.000 1.163 326 S CA -0.352 57.947 58.200 0.164 0.000 1.078 326 S CB 0.186 63.456 63.200 0.118 0.000 0.987 326 S HN 0.920 nan 8.310 nan 0.000 0.482 327 D N 2.692 123.263 120.400 0.285 0.000 2.704 327 D HA -0.233 4.398 4.640 -0.015 0.000 0.232 327 D C 0.722 177.245 176.300 0.373 0.000 1.183 327 D CA 1.116 55.294 54.000 0.297 0.000 0.647 327 D CB -1.165 39.810 40.800 0.292 0.000 1.013 327 D HN 0.978 nan 8.370 nan 0.000 0.415 328 H N 0.464 119.677 119.070 0.239 0.000 2.255 328 H HA -0.200 4.347 4.556 -0.016 0.000 0.290 328 H C 1.385 176.860 175.328 0.246 0.000 1.087 328 H CA 2.911 59.103 56.048 0.240 0.000 1.213 328 H CB -0.015 29.852 29.762 0.175 0.000 1.349 328 H HN 0.251 nan 8.280 nan 0.000 0.487 329 D N -1.239 119.202 120.400 0.068 0.000 2.149 329 D HA -0.135 4.496 4.640 -0.015 0.000 0.198 329 D C 2.252 178.528 176.300 -0.039 0.000 0.990 329 D CA 2.168 56.152 54.000 -0.026 0.000 0.839 329 D CB -0.450 40.371 40.800 0.034 0.000 0.948 329 D HN 0.702 nan 8.370 nan 0.000 0.460 330 T N -3.029 111.507 114.554 -0.030 0.000 3.088 330 T HA 0.022 4.363 4.350 -0.015 0.000 0.259 330 T C 1.625 176.242 174.700 -0.138 0.000 1.122 330 T CA 0.245 62.277 62.100 -0.113 0.000 1.095 330 T CB -0.409 68.347 68.868 -0.188 0.000 0.930 330 T HN 0.099 nan 8.240 nan 0.000 0.508 331 F N -0.489 119.451 119.950 -0.017 0.000 2.619 331 F HA 0.377 4.895 4.527 -0.015 0.000 0.293 331 F C 0.848 176.622 175.800 -0.044 0.000 1.119 331 F CA -1.562 56.429 58.000 -0.015 0.000 1.445 331 F CB 0.099 39.097 39.000 -0.004 0.000 1.119 331 F HN 0.162 nan 8.300 nan 0.000 0.573 332 W N 5.502 126.723 121.300 -0.131 0.000 2.493 332 W HA -0.032 4.619 4.660 -0.015 0.000 0.337 332 W C -2.214 174.160 176.519 -0.243 0.000 1.234 332 W CA -1.409 55.779 57.345 -0.261 0.000 1.286 332 W CB 0.079 29.355 29.460 -0.307 0.000 1.188 332 W HN -0.163 nan 8.180 nan 0.000 0.564 333 P HA 0.097 nan 4.420 nan 0.000 0.287 333 P C 0.579 177.318 177.300 -0.934 0.000 1.294 333 P CA 0.219 62.772 63.100 -0.912 0.000 0.776 333 P CB 1.300 32.020 31.700 -1.633 0.000 0.889 334 G N 4.059 112.657 108.800 -0.336 0.000 2.462 334 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.220 334 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.220 334 G C 1.235 176.034 174.900 -0.168 0.000 1.121 334 G CA -0.014 45.007 45.100 -0.131 0.000 0.758 334 G HN 0.710 nan 8.290 nan 0.000 0.559 335 W N 0.004 121.176 121.300 -0.213 0.000 2.425 335 W HA 0.093 4.744 4.660 -0.016 0.000 0.277 335 W C 1.614 177.948 176.519 -0.309 0.000 1.231 335 W CA 0.280 57.500 57.345 -0.207 0.000 1.248 335 W CB -0.904 28.448 29.460 -0.181 0.000 1.117 335 W HN 0.152 nan 8.180 nan 0.000 0.568 336 L N 2.320 122.987 121.223 -0.927 0.000 2.141 336 L HA -0.088 4.243 4.340 -0.015 0.000 0.209 336 L C 3.024 179.665 176.870 -0.383 0.000 1.094 336 L CA 1.999 56.286 54.840 -0.922 0.000 0.763 336 L CB -0.997 40.075 42.059 -1.646 0.000 0.908 336 L HN -0.020 nan 8.230 nan 0.000 0.437 337 R N -0.493 119.846 120.500 -0.269 0.000 2.080 337 R HA -0.188 4.143 4.340 -0.015 0.000 0.236 337 R C 1.820 178.190 176.300 0.116 0.000 1.137 337 R CA 2.087 58.288 56.100 0.168 0.000 0.943 337 R CB -0.535 29.915 30.300 0.249 0.000 0.846 337 R HN 0.368 nan 8.270 nan 0.000 0.431 338 D N 0.989 121.428 120.400 0.064 0.000 2.117 338 D HA -0.191 4.439 4.640 -0.015 0.000 0.197 338 D C 1.998 178.334 176.300 0.061 0.000 0.987 338 D CA 1.127 55.173 54.000 0.077 0.000 0.829 338 D CB -0.294 40.555 40.800 0.082 0.000 0.961 338 D HN 0.283 nan 8.370 nan 0.000 0.460 339 L N 0.672 121.928 121.223 0.055 0.000 1.989 339 L HA -0.170 4.161 4.340 -0.015 0.000 0.211 339 L C 2.406 179.280 176.870 0.007 0.000 1.071 339 L CA 1.117 55.984 54.840 0.044 0.000 0.749 339 L CB -0.199 41.900 42.059 0.067 0.000 0.890 339 L HN -0.029 nan 8.230 nan 0.000 0.431 340 I N -0.823 119.742 120.570 -0.007 0.000 2.151 340 I HA -0.422 3.739 4.170 -0.015 0.000 0.243 340 I C 2.670 178.714 176.117 -0.121 0.000 1.080 340 I CA 1.603 62.863 61.300 -0.067 0.000 1.339 340 I CB -0.581 37.414 38.000 -0.007 0.000 1.039 340 I HN 0.478 nan 8.210 nan 0.000 0.409 341 C N 0.520 119.815 119.300 -0.009 0.000 2.413 341 C HA -0.220 4.230 4.460 -0.015 0.000 0.276 341 C C 2.621 177.593 174.990 -0.029 0.000 1.236 341 C CA 1.459 60.477 59.018 -0.000 0.000 1.735 341 C CB -1.051 26.749 27.740 0.099 0.000 2.031 341 C HN 0.584 nan 8.230 nan 0.000 0.474 342 D N 0.500 120.898 120.400 -0.004 0.000 2.104 342 D HA -0.176 4.455 4.640 -0.015 0.000 0.194 342 D C 2.081 178.365 176.300 -0.026 0.000 0.994 342 D CA 1.681 55.681 54.000 -0.000 0.000 0.830 342 D CB -0.252 40.557 40.800 0.016 0.000 0.959 342 D HN 0.369 nan 8.370 nan 0.000 0.452 343 E N -0.111 120.061 120.200 -0.047 0.000 2.110 343 E HA -0.096 4.244 4.350 -0.015 0.000 0.193 343 E C 2.208 178.741 176.600 -0.112 0.000 0.988 343 E CA 0.702 57.066 56.400 -0.059 0.000 0.804 343 E CB -0.425 29.242 29.700 -0.055 0.000 0.745 343 E HN 0.409 nan 8.360 nan 0.000 0.458 344 L N -0.285 120.809 121.223 -0.216 0.000 2.046 344 L HA -0.187 4.143 4.340 -0.015 0.000 0.208 344 L C 2.388 179.189 176.870 -0.115 0.000 1.077 344 L CA 0.975 55.605 54.840 -0.351 0.000 0.747 344 L CB -0.353 41.370 42.059 -0.561 0.000 0.896 344 L HN 0.229 nan 8.230 nan 0.000 0.432 345 L N -0.541 120.656 121.223 -0.043 0.000 2.093 345 L HA -0.204 4.126 4.340 -0.015 0.000 0.208 345 L C 2.344 179.231 176.870 0.028 0.000 1.085 345 L CA 0.913 55.766 54.840 0.022 0.000 0.755 345 L CB -0.638 41.435 42.059 0.023 0.000 0.904 345 L HN 0.332 nan 8.230 nan 0.000 0.435 346 N N 0.218 118.924 118.700 0.011 0.000 2.084 346 N HA -0.181 4.550 4.740 -0.015 0.000 0.190 346 N C 1.850 177.380 175.510 0.034 0.000 1.030 346 N CA 1.525 54.586 53.050 0.019 0.000 0.849 346 N CB -0.348 38.146 38.487 0.011 0.000 1.012 346 N HN 0.325 nan 8.380 nan 0.000 0.423 347 M N -0.473 119.154 119.600 0.044 0.000 2.435 347 M HA -0.031 4.440 4.480 -0.015 0.000 0.262 347 M C 0.767 177.132 176.300 0.108 0.000 1.065 347 M CA 1.258 56.610 55.300 0.088 0.000 1.076 347 M CB -0.167 32.511 32.600 0.130 0.000 1.403 347 M HN 0.344 nan 8.290 nan 0.000 0.454 348 G N -0.206 108.656 108.800 0.104 0.000 2.173 348 G HA2 -0.231 3.719 3.960 -0.015 0.000 0.174 348 G HA3 -0.231 3.719 3.960 -0.015 0.000 0.174 348 G C -0.492 174.423 174.900 0.025 0.000 1.025 348 G CA -0.787 44.344 45.100 0.052 0.000 0.706 348 G HN 0.453 nan 8.290 nan 0.000 0.499 349 Y N 0.856 121.078 120.300 -0.131 0.000 2.335 349 Y HA 0.480 5.021 4.550 -0.016 0.000 0.331 349 Y C 1.294 177.055 175.900 -0.231 0.000 1.094 349 Y CA -0.055 57.918 58.100 -0.212 0.000 1.253 349 Y CB 1.250 39.583 38.460 -0.212 0.000 1.203 349 Y HN 0.584 nan 8.280 nan 0.000 0.508 350 A N 6.879 129.515 122.820 -0.307 0.000 2.583 350 A HA -0.052 4.259 4.320 -0.015 0.000 0.249 350 A C -1.713 175.639 177.584 -0.387 0.000 1.035 350 A CA -0.879 50.879 52.037 -0.465 0.000 0.777 350 A CB -0.250 18.130 19.000 -1.034 0.000 0.942 350 A HN 0.667 nan 8.150 nan 0.000 0.516 351 P HA -0.223 nan 4.420 nan 0.000 0.215 351 P C 1.722 179.047 177.300 0.042 0.000 1.163 351 P CA 2.217 65.317 63.100 -0.001 0.000 0.894 351 P CB -0.230 31.519 31.700 0.082 0.000 0.791 352 W N -1.560 119.825 121.300 0.142 0.000 2.321 352 W HA -0.196 4.458 4.660 -0.011 0.000 0.306 352 W C 2.070 178.706 176.519 0.195 0.000 1.217 352 W CA 0.673 58.096 57.345 0.128 0.000 1.257 352 W CB -2.022 27.496 29.460 0.096 0.000 1.145 352 W HN 0.087 nan 8.180 nan 0.000 0.509 353 W N 2.023 123.013 121.300 -0.517 0.000 2.381 353 W HA -0.129 4.522 4.660 -0.016 0.000 0.301 353 W C 2.475 178.992 176.519 -0.003 0.000 1.205 353 W CA 2.733 59.910 57.345 -0.281 0.000 1.285 353 W CB -0.610 28.401 29.460 -0.750 0.000 1.133 353 W HN -0.282 nan 8.180 nan 0.000 0.521 354 V N 1.220 121.308 119.914 0.289 0.000 2.407 354 V HA -0.296 3.815 4.120 -0.015 0.000 0.248 354 V C 2.310 178.465 176.094 0.100 0.000 1.055 354 V CA 2.214 64.655 62.300 0.236 0.000 1.049 354 V CB -0.921 31.014 31.823 0.186 0.000 0.662 354 V HN 0.062 nan 8.190 nan 0.000 0.455 355 K N 0.325 120.788 120.400 0.105 0.000 2.097 355 K HA -0.118 4.192 4.320 -0.015 0.000 0.206 355 K C 1.869 178.513 176.600 0.073 0.000 1.049 355 K CA 1.576 57.932 56.287 0.115 0.000 0.933 355 K CB -0.482 32.104 32.500 0.143 0.000 0.717 355 K HN 0.414 nan 8.250 nan 0.000 0.442 356 L N -0.678 120.545 121.223 -0.001 0.000 1.994 356 L HA -0.135 4.195 4.340 -0.015 0.000 0.208 356 L C 2.235 179.001 176.870 -0.172 0.000 1.071 356 L CA 1.463 56.257 54.840 -0.076 0.000 0.745 356 L CB -0.586 41.386 42.059 -0.144 0.000 0.892 356 L HN 0.145 nan 8.230 nan 0.000 0.431 357 F N 1.012 120.654 119.950 -0.513 0.000 2.091 357 F HA -0.299 4.219 4.527 -0.016 0.000 0.299 357 F C 2.631 178.330 175.800 -0.170 0.000 1.103 357 F CA 2.168 59.896 58.000 -0.455 0.000 1.228 357 F CB -0.200 38.414 39.000 -0.643 0.000 0.984 357 F HN 0.156 nan 8.300 nan 0.000 0.477 358 E N -0.512 119.695 120.200 0.011 0.000 2.007 358 E HA -0.226 4.114 4.350 -0.015 0.000 0.194 358 E C 2.046 178.608 176.600 -0.063 0.000 0.999 358 E CA 2.201 58.603 56.400 0.005 0.000 0.811 358 E CB -0.457 29.300 29.700 0.094 0.000 0.762 358 E HN 0.389 nan 8.360 nan 0.000 0.450 359 T N 0.654 115.206 114.554 -0.004 0.000 2.685 359 T HA -0.257 4.084 4.350 -0.015 0.000 0.268 359 T C 2.066 176.728 174.700 -0.064 0.000 1.034 359 T CA 1.875 63.975 62.100 -0.001 0.000 1.149 359 T CB -0.603 68.334 68.868 0.115 0.000 0.860 359 T HN 0.366 nan 8.240 nan 0.000 0.449 360 S N 1.089 116.715 115.700 -0.123 0.000 2.440 360 S HA -0.000 4.460 4.470 -0.015 0.000 0.238 360 S C 1.679 176.243 174.600 -0.061 0.000 1.010 360 S CA 0.769 58.898 58.200 -0.117 0.000 0.972 360 S CB -0.569 62.501 63.200 -0.217 0.000 0.774 360 S HN 0.540 nan 8.310 nan 0.000 0.501 361 L N 0.579 121.703 121.223 -0.165 0.000 2.628 361 L HA 0.327 4.658 4.340 -0.015 0.000 0.229 361 L C 1.090 177.930 176.870 -0.050 0.000 1.137 361 L CA 0.056 54.809 54.840 -0.145 0.000 0.909 361 L CB 0.040 41.973 42.059 -0.210 0.000 1.137 361 L HN 0.453 nan 8.230 nan 0.000 0.470 362 K N -1.133 119.252 120.400 -0.025 0.000 2.644 362 K HA 0.257 4.567 4.320 -0.015 0.000 0.198 362 K C -0.171 176.417 176.600 -0.018 0.000 1.113 362 K CA -0.580 55.695 56.287 -0.020 0.000 1.073 362 K CB 0.648 33.128 32.500 -0.033 0.000 0.811 362 K HN -0.044 nan 8.250 nan 0.000 0.508 363 L N 2.865 124.115 121.223 0.045 0.000 2.452 363 L HA 0.272 4.602 4.340 -0.015 0.000 0.267 363 L C -2.347 174.584 176.870 0.101 0.000 1.188 363 L CA -1.535 53.335 54.840 0.050 0.000 0.821 363 L CB 0.353 42.464 42.059 0.086 0.000 1.102 363 L HN 0.000 nan 8.230 nan 0.000 0.470 364 P HA 0.235 nan 4.420 nan 0.000 0.273 364 P C -1.615 175.777 177.300 0.153 0.000 1.250 364 P CA -0.267 62.884 63.100 0.084 0.000 0.793 364 P CB 0.765 32.493 31.700 0.047 0.000 1.011 365 V N -1.423 118.588 119.914 0.162 0.000 2.709 365 V HA 0.504 4.615 4.120 -0.015 0.000 0.308 365 V C -1.517 174.696 176.094 0.199 0.000 1.062 365 V CA -1.009 61.398 62.300 0.178 0.000 0.901 365 V CB 1.611 33.492 31.823 0.097 0.000 1.003 365 V HN 0.418 nan 8.190 nan 0.000 0.425 366 Y N 4.092 124.455 120.300 0.105 0.000 2.404 366 Y HA 0.689 5.231 4.550 -0.013 0.000 0.344 366 Y C -0.118 175.764 175.900 -0.029 0.000 0.970 366 Y CA -0.527 57.651 58.100 0.130 0.000 1.180 366 Y CB 1.480 40.101 38.460 0.268 0.000 1.138 366 Y HN 0.699 nan 8.280 nan 0.000 0.510 367 V N 7.915 127.475 119.914 -0.589 0.000 2.432 367 V HA 0.228 4.338 4.120 -0.015 0.000 0.271 367 V C 0.904 176.494 176.094 -0.840 0.000 1.046 367 V CA 0.628 62.536 62.300 -0.653 0.000 0.945 367 V CB 0.749 32.127 31.823 -0.742 0.000 0.992 367 V HN 1.082 nan 8.190 nan 0.000 0.471 368 G N 3.933 112.376 108.800 -0.595 0.000 2.561 368 G HA2 0.351 4.302 3.960 -0.015 0.000 0.208 368 G HA3 0.351 4.302 3.960 -0.015 0.000 0.208 368 G C 0.323 174.917 174.900 -0.510 0.000 1.510 368 G CA 0.548 45.384 45.100 -0.440 0.000 0.941 368 G HN 1.058 nan 8.290 nan 0.000 0.478 369 A N 0.450 123.157 122.820 -0.189 0.000 2.815 369 A HA 0.641 4.952 4.320 -0.015 0.000 0.318 369 A C -1.455 176.158 177.584 0.049 0.000 1.186 369 A CA -0.831 51.153 52.037 -0.088 0.000 0.754 369 A CB 1.433 20.480 19.000 0.079 0.000 1.151 369 A HN 0.254 nan 8.150 nan 0.000 0.452 370 P HA 0.083 nan 4.420 nan 0.000 0.223 370 P C 0.515 177.678 177.300 -0.228 0.000 1.151 370 P CA 1.738 64.573 63.100 -0.441 0.000 0.787 370 P CB 0.374 31.754 31.700 -0.533 0.000 0.788 371 A N -1.538 121.211 122.820 -0.117 0.000 2.566 371 A HA 0.602 4.912 4.320 -0.015 0.000 0.290 371 A C -3.162 174.237 177.584 -0.307 0.000 1.071 371 A CA -1.507 50.283 52.037 -0.411 0.000 0.658 371 A CB 0.272 19.104 19.000 -0.280 0.000 1.285 371 A HN -0.262 nan 8.150 nan 0.000 0.427 372 P HA 0.356 nan 4.420 nan 0.000 0.266 372 P C -0.474 176.815 177.300 -0.018 0.000 1.195 372 P CA 1.154 64.167 63.100 -0.145 0.000 0.768 372 P CB 0.325 31.909 31.700 -0.194 0.000 0.838 373 E N -0.294 119.954 120.200 0.080 0.000 2.476 373 E HA -0.244 4.097 4.350 -0.015 0.000 0.251 373 E C -0.552 176.114 176.600 0.110 0.000 1.130 373 E CA 1.265 57.716 56.400 0.086 0.000 0.736 373 E CB -1.712 28.013 29.700 0.042 0.000 1.298 373 E HN 0.498 nan 8.360 nan 0.000 0.400 374 Q N -1.537 118.355 119.800 0.153 0.000 2.435 374 Q HA 0.612 4.942 4.340 -0.015 0.000 0.282 374 Q C 0.371 176.445 176.000 0.123 0.000 1.020 374 Q CA -0.447 55.465 55.803 0.181 0.000 0.820 374 Q CB 2.390 31.232 28.738 0.173 0.000 1.436 374 Q HN 0.312 nan 8.270 nan 0.000 0.395 375 G N 0.306 109.202 108.800 0.160 0.000 2.418 375 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.206 375 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.206 375 G C -0.959 173.884 174.900 -0.095 0.000 1.202 375 G CA 0.002 44.994 45.100 -0.180 0.000 1.061 375 G HN 0.936 nan 8.290 nan 0.000 0.563 376 H N -0.352 118.657 119.070 -0.102 0.000 2.604 376 H HA -0.039 4.508 4.556 -0.016 0.000 0.321 376 H C 0.181 175.531 175.328 0.036 0.000 1.132 376 H CA 1.350 57.398 56.048 -0.001 0.000 1.129 376 H CB -1.745 28.099 29.762 0.136 0.000 1.526 376 H HN 0.756 nan 8.280 nan 0.000 0.415 377 T N 0.702 115.168 114.554 -0.146 0.000 2.912 377 T HA 0.475 4.816 4.350 -0.015 0.000 0.299 377 T C -0.472 174.282 174.700 0.089 0.000 1.052 377 T CA -0.883 61.307 62.100 0.150 0.000 0.996 377 T CB 2.077 71.169 68.868 0.374 0.000 1.070 377 T HN 0.232 nan 8.240 nan 0.000 0.465 378 L N 3.981 125.432 121.223 0.381 0.000 2.282 378 L HA 0.642 4.973 4.340 -0.015 0.000 0.288 378 L C -1.250 175.885 176.870 0.441 0.000 1.033 378 L CA -0.461 54.648 54.840 0.449 0.000 0.807 378 L CB 0.435 42.809 42.059 0.525 0.000 1.209 378 L HN 0.575 nan 8.230 nan 0.000 0.423 379 L N 5.927 127.350 121.223 0.334 0.000 2.295 379 L HA 0.773 5.103 4.340 -0.015 0.000 0.285 379 L C 0.669 177.684 176.870 0.241 0.000 1.035 379 L CA -0.431 54.574 54.840 0.275 0.000 0.806 379 L CB 0.981 43.173 42.059 0.221 0.000 1.214 379 L HN 0.932 nan 8.230 nan 0.000 0.426 380 G N 2.185 111.128 108.800 0.239 0.000 2.722 380 G HA2 -0.197 3.754 3.960 -0.015 0.000 0.686 380 G HA3 -0.197 3.754 3.960 -0.015 0.000 0.686 380 G C -0.946 174.133 174.900 0.297 0.000 1.282 380 G CA -0.770 44.453 45.100 0.205 0.000 0.817 380 G HN 0.745 nan 8.290 nan 0.000 0.605 381 D N 2.291 122.828 120.400 0.228 0.000 2.313 381 D HA 0.503 5.134 4.640 -0.015 0.000 0.239 381 D C -0.802 175.471 176.300 -0.046 0.000 1.142 381 D CA -2.313 51.764 54.000 0.129 0.000 0.847 381 D CB 1.439 42.355 40.800 0.193 0.000 1.082 381 D HN 0.032 nan 8.370 nan 0.000 0.480 382 P HA -0.069 nan 4.420 nan 0.000 0.221 382 P C 1.035 178.251 177.300 -0.140 0.000 1.145 382 P CA 0.739 63.727 63.100 -0.186 0.000 0.795 382 P CB 0.351 31.880 31.700 -0.285 0.000 0.775 383 S N -1.614 114.037 115.700 -0.082 0.000 2.423 383 S HA -0.056 4.405 4.470 -0.015 0.000 0.231 383 S C 1.035 175.646 174.600 0.018 0.000 1.014 383 S CA 0.888 59.099 58.200 0.019 0.000 0.965 383 S CB -0.438 62.781 63.200 0.032 0.000 0.785 383 S HN 0.175 nan 8.310 nan 0.000 0.495 384 N N 1.086 119.715 118.700 -0.119 0.000 2.722 384 N HA 0.246 4.977 4.740 -0.015 0.000 0.242 384 N C -3.361 171.969 175.510 -0.301 0.000 1.398 384 N CA -1.261 51.650 53.050 -0.233 0.000 0.755 384 N CB 1.220 39.684 38.487 -0.038 0.000 1.268 384 N HN -0.014 nan 8.380 nan 0.000 0.522 385 P HA 0.028 nan 4.420 nan 0.000 0.255 385 P C -0.318 176.849 177.300 -0.222 0.000 1.173 385 P CA 0.469 63.359 63.100 -0.350 0.000 0.780 385 P CB 0.189 31.602 31.700 -0.478 0.000 0.758 386 D N 1.816 122.151 120.400 -0.109 0.000 2.822 386 D HA 0.118 4.748 4.640 -0.015 0.000 0.327 386 D C -0.288 175.998 176.300 -0.022 0.000 1.577 386 D CA -0.242 53.724 54.000 -0.056 0.000 0.785 386 D CB -0.666 40.112 40.800 -0.037 0.000 1.199 386 D HN 0.018 nan 8.370 nan 0.000 0.443 387 L N 0.585 121.797 121.223 -0.019 0.000 2.456 387 L HA 0.474 4.804 4.340 -0.015 0.000 0.257 387 L C 0.495 177.366 176.870 0.001 0.000 1.162 387 L CA 0.307 55.146 54.840 -0.001 0.000 0.808 387 L CB 0.822 42.888 42.059 0.011 0.000 1.136 387 L HN 0.014 nan 8.230 nan 0.000 0.466 388 E N 1.349 121.551 120.200 0.003 0.000 3.666 388 E HA 0.146 4.487 4.350 -0.015 0.000 0.230 388 E C 0.333 176.933 176.600 0.000 0.000 1.235 388 E CA 0.063 56.470 56.400 0.012 0.000 1.096 388 E CB 0.947 30.658 29.700 0.019 0.000 1.287 388 E HN 0.452 nan 8.360 nan 0.000 0.406 389 V N -1.429 118.474 119.914 -0.019 0.000 3.623 389 V HA 0.386 4.497 4.120 -0.015 0.000 0.271 389 V C 1.045 177.109 176.094 -0.049 0.000 1.248 389 V CA 0.806 63.079 62.300 -0.046 0.000 1.156 389 V CB -0.449 31.323 31.823 -0.084 0.000 0.870 389 V HN 0.535 nan 8.190 nan 0.000 0.453 390 G N 0.552 109.356 108.800 0.007 0.000 2.545 390 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.240 390 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.240 390 G C -0.487 174.393 174.900 -0.033 0.000 1.172 390 G CA -0.105 45.044 45.100 0.083 0.000 0.949 390 G HN 0.454 nan 8.290 nan 0.000 0.574 391 L N 1.085 122.196 121.223 -0.185 0.000 2.312 391 L HA 0.598 4.928 4.340 -0.015 0.000 0.281 391 L C 0.512 177.179 176.870 -0.339 0.000 1.070 391 L CA -0.245 54.331 54.840 -0.440 0.000 0.805 391 L CB 1.636 43.386 42.059 -0.514 0.000 1.174 391 L HN 0.572 nan 8.230 nan 0.000 0.434 392 S N 0.587 116.032 115.700 -0.425 0.000 2.520 392 S HA 0.128 4.589 4.470 -0.015 0.000 0.324 392 S C 1.093 175.454 174.600 -0.398 0.000 1.069 392 S CA -0.412 57.473 58.200 -0.525 0.000 1.121 392 S CB 1.095 63.711 63.200 -0.975 0.000 0.971 392 S HN 0.791 nan 8.310 nan 0.000 0.463 393 S N 4.262 119.811 115.700 -0.252 0.000 2.381 393 S HA -0.168 4.293 4.470 -0.015 0.000 0.230 393 S C 1.920 176.491 174.600 -0.048 0.000 1.052 393 S CA 1.762 59.889 58.200 -0.123 0.000 1.068 393 S CB -1.216 61.943 63.200 -0.069 0.000 0.918 393 S HN 0.878 nan 8.310 nan 0.000 0.448 394 G N 1.140 109.939 108.800 -0.001 0.000 2.776 394 G HA2 -0.006 3.945 3.960 -0.015 0.000 0.209 394 G HA3 -0.006 3.945 3.960 -0.015 0.000 0.209 394 G C 0.545 175.571 174.900 0.210 0.000 1.145 394 G CA -0.102 45.090 45.100 0.153 0.000 0.791 394 G HN 0.575 nan 8.290 nan 0.000 0.530 395 Q N 0.431 120.312 119.800 0.136 0.000 2.395 395 Q HA 0.104 4.435 4.340 -0.015 0.000 0.271 395 Q C 1.725 177.774 176.000 0.082 0.000 1.026 395 Q CA 0.440 56.315 55.803 0.120 0.000 0.900 395 Q CB 1.109 29.818 28.738 -0.047 0.000 1.266 395 Q HN 0.135 nan 8.270 nan 0.000 0.430 396 G N 2.590 111.447 108.800 0.095 0.000 2.462 396 G HA2 -0.177 3.774 3.960 -0.015 0.000 0.220 396 G HA3 -0.177 3.774 3.960 -0.015 0.000 0.220 396 G C 0.717 175.708 174.900 0.152 0.000 1.121 396 G CA 0.906 46.087 45.100 0.135 0.000 0.758 396 G HN 0.642 nan 8.290 nan 0.000 0.559 397 A N -0.084 122.824 122.820 0.146 0.000 2.610 397 A HA 0.429 4.739 4.320 -0.015 0.000 0.291 397 A C 1.996 179.623 177.584 0.073 0.000 1.116 397 A CA 1.043 53.183 52.037 0.171 0.000 0.963 397 A CB -0.275 18.946 19.000 0.369 0.000 1.220 397 A HN 0.231 nan 8.150 nan 0.000 0.530 398 T N 0.401 114.948 114.554 -0.012 0.000 2.680 398 T HA -0.306 4.034 4.350 -0.015 0.000 0.268 398 T C 1.505 176.177 174.700 -0.045 0.000 1.033 398 T CA 1.907 63.947 62.100 -0.100 0.000 1.152 398 T CB -0.630 68.172 68.868 -0.110 0.000 0.859 398 T HN 0.654 nan 8.240 nan 0.000 0.452 399 D N 1.965 122.374 120.400 0.015 0.000 2.144 399 D HA -0.089 4.542 4.640 -0.015 0.000 0.199 399 D C 2.161 178.482 176.300 0.035 0.000 0.984 399 D CA 0.822 54.842 54.000 0.033 0.000 0.834 399 D CB -0.797 40.040 40.800 0.062 0.000 0.955 399 D HN 0.420 nan 8.370 nan 0.000 0.465 400 L N -0.617 120.632 121.223 0.042 0.000 2.056 400 L HA -0.099 4.232 4.340 -0.015 0.000 0.207 400 L C 2.734 179.691 176.870 0.146 0.000 1.078 400 L CA 0.811 55.682 54.840 0.050 0.000 0.749 400 L CB -0.387 41.721 42.059 0.081 0.000 0.901 400 L HN -0.018 nan 8.230 nan 0.000 0.433 401 M N -0.330 119.362 119.600 0.153 0.000 2.108 401 M HA -0.121 4.350 4.480 -0.015 0.000 0.261 401 M C 2.358 178.879 176.300 0.369 0.000 1.066 401 M CA 1.888 57.326 55.300 0.230 0.000 1.107 401 M CB -1.805 30.674 32.600 -0.202 0.000 1.356 401 M HN 0.301 nan 8.290 nan 0.000 0.406 402 G N -0.515 108.408 108.800 0.205 0.000 2.402 402 G HA2 -0.162 3.789 3.960 -0.015 0.000 0.216 402 G HA3 -0.162 3.789 3.960 -0.015 0.000 0.216 402 G C 1.569 176.652 174.900 0.305 0.000 1.162 402 G CA 1.364 46.689 45.100 0.375 0.000 0.777 402 G HN 0.408 nan 8.290 nan 0.000 0.539 403 T N 1.538 116.202 114.554 0.182 0.000 2.737 403 T HA -0.080 4.261 4.350 -0.015 0.000 0.265 403 T C 2.219 177.059 174.700 0.232 0.000 1.038 403 T CA 0.936 63.130 62.100 0.156 0.000 1.144 403 T CB -0.276 68.559 68.868 -0.055 0.000 0.866 403 T HN 0.070 nan 8.240 nan 0.000 0.434 404 L N 1.568 122.928 121.223 0.229 0.000 1.990 404 L HA -0.072 4.259 4.340 -0.015 0.000 0.213 404 L C 2.304 179.413 176.870 0.398 0.000 1.072 404 L CA 1.859 56.902 54.840 0.339 0.000 0.755 404 L CB -1.528 40.735 42.059 0.341 0.000 0.889 404 L HN 0.270 nan 8.230 nan 0.000 0.432 405 L N -0.267 121.178 121.223 0.371 0.000 1.943 405 L HA -0.246 4.085 4.340 -0.015 0.000 0.215 405 L C 2.511 179.550 176.870 0.282 0.000 1.074 405 L CA 2.166 57.166 54.840 0.267 0.000 0.759 405 L CB -0.652 41.524 42.059 0.196 0.000 0.888 405 L HN 0.217 nan 8.230 nan 0.000 0.433 406 M N -0.770 118.988 119.600 0.263 0.000 2.108 406 M HA -0.175 4.296 4.480 -0.015 0.000 0.261 406 M C 2.620 178.948 176.300 0.047 0.000 1.066 406 M CA 1.921 57.242 55.300 0.036 0.000 1.107 406 M CB -1.936 30.739 32.600 0.125 0.000 1.356 406 M HN 0.556 nan 8.290 nan 0.000 0.406 407 S N 0.736 116.683 115.700 0.411 0.000 2.353 407 S HA -0.114 4.346 4.470 -0.015 0.000 0.222 407 S C 1.900 176.801 174.600 0.501 0.000 1.035 407 S CA 1.088 59.667 58.200 0.632 0.000 1.025 407 S CB -0.049 63.647 63.200 0.827 0.000 0.902 407 S HN 0.295 nan 8.310 nan 0.000 0.440 408 I N 1.663 122.464 120.570 0.385 0.000 2.286 408 I HA -0.102 4.059 4.170 -0.015 0.000 0.248 408 I C 2.459 178.584 176.117 0.014 0.000 1.115 408 I CA 1.411 62.780 61.300 0.115 0.000 1.392 408 I CB -2.116 35.820 38.000 -0.106 0.000 1.065 408 I HN 0.344 nan 8.210 nan 0.000 0.418 409 T N 0.563 115.163 114.554 0.075 0.000 2.684 409 T HA -0.203 4.138 4.350 -0.015 0.000 0.267 409 T C 1.872 176.609 174.700 0.061 0.000 1.036 409 T CA 1.570 63.717 62.100 0.078 0.000 1.148 409 T CB -0.363 68.503 68.868 -0.003 0.000 0.863 409 T HN 0.187 nan 8.240 nan 0.000 0.436 410 Y N 0.972 121.414 120.300 0.236 0.000 2.200 410 Y HA 0.063 4.603 4.550 -0.015 0.000 0.290 410 Y C 2.214 178.197 175.900 0.139 0.000 1.137 410 Y CA -0.038 58.180 58.100 0.196 0.000 1.163 410 Y CB -1.079 37.499 38.460 0.197 0.000 0.988 410 Y HN 0.098 nan 8.280 nan 0.000 0.518 411 L N -0.422 120.958 121.223 0.261 0.000 2.079 411 L HA -0.162 4.168 4.340 -0.015 0.000 0.210 411 L C 2.105 178.965 176.870 -0.018 0.000 1.081 411 L CA 1.468 56.310 54.840 0.004 0.000 0.752 411 L CB -0.923 41.032 42.059 -0.172 0.000 0.896 411 L HN 0.061 nan 8.230 nan 0.000 0.433 412 V N -0.548 119.385 119.914 0.032 0.000 2.307 412 V HA -0.324 3.787 4.120 -0.015 0.000 0.245 412 V C 2.643 178.805 176.094 0.113 0.000 1.045 412 V CA 2.165 64.489 62.300 0.041 0.000 1.024 412 V CB -0.435 31.444 31.823 0.094 0.000 0.651 412 V HN 0.486 nan 8.190 nan 0.000 0.449 413 M N -0.853 118.871 119.600 0.206 0.000 2.106 413 M HA -0.309 4.162 4.480 -0.015 0.000 0.259 413 M C 2.370 178.877 176.300 0.344 0.000 1.068 413 M CA 2.015 57.507 55.300 0.321 0.000 1.100 413 M CB -0.361 32.444 32.600 0.343 0.000 1.351 413 M HN 0.442 nan 8.290 nan 0.000 0.404 414 Q N -0.115 119.839 119.800 0.256 0.000 2.020 414 Q HA -0.154 4.176 4.340 -0.015 0.000 0.202 414 Q C 2.091 178.188 176.000 0.162 0.000 0.982 414 Q CA 1.309 57.272 55.803 0.267 0.000 0.838 414 Q CB -0.218 28.567 28.738 0.079 0.000 0.899 414 Q HN 0.527 nan 8.270 nan 0.000 0.423 415 L N 0.899 122.139 121.223 0.029 0.000 1.971 415 L HA -0.271 4.060 4.340 -0.015 0.000 0.215 415 L C 2.046 178.889 176.870 -0.045 0.000 1.072 415 L CA 1.328 56.132 54.840 -0.060 0.000 0.758 415 L CB -0.700 41.285 42.059 -0.124 0.000 0.889 415 L HN 0.249 nan 8.230 nan 0.000 0.433 416 D N -0.772 119.598 120.400 -0.050 0.000 2.103 416 D HA -0.209 4.422 4.640 -0.015 0.000 0.190 416 D C 2.050 178.210 176.300 -0.234 0.000 0.997 416 D CA 1.556 55.449 54.000 -0.179 0.000 0.833 416 D CB -0.326 40.304 40.800 -0.284 0.000 0.961 416 D HN 0.450 nan 8.370 nan 0.000 0.447 417 H N -1.559 117.553 119.070 0.071 0.000 2.553 417 H HA 0.160 4.706 4.556 -0.016 0.000 0.265 417 H C 1.271 176.650 175.328 0.085 0.000 0.964 417 H CA 1.402 57.494 56.048 0.074 0.000 1.156 417 H CB 0.715 30.529 29.762 0.087 0.000 1.411 417 H HN 0.278 nan 8.280 nan 0.000 0.558 418 T N -3.839 110.845 114.554 0.218 0.000 3.252 418 T HA 0.425 4.766 4.350 -0.015 0.000 0.295 418 T C 0.818 175.642 174.700 0.207 0.000 0.897 418 T CA 0.217 62.450 62.100 0.221 0.000 0.905 418 T CB 0.245 69.308 68.868 0.326 0.000 1.202 418 T HN 0.168 nan 8.240 nan 0.000 0.592 419 A N 2.239 125.095 122.820 0.060 0.000 2.897 419 A HA 0.581 4.891 4.320 -0.015 0.000 0.230 419 A C -1.530 175.797 177.584 -0.428 0.000 0.896 419 A CA -0.648 51.248 52.037 -0.234 0.000 1.114 419 A CB 0.438 19.297 19.000 -0.236 0.000 1.230 419 A HN 0.241 nan 8.150 nan 0.000 0.481 420 P HA -0.272 nan 4.420 nan 0.000 0.217 420 P C 1.145 178.370 177.300 -0.125 0.000 1.148 420 P CA 1.817 64.849 63.100 -0.112 0.000 0.834 420 P CB -0.448 31.245 31.700 -0.012 0.000 0.783 421 H N -0.628 118.418 119.070 -0.040 0.000 2.543 421 H HA 0.012 4.559 4.556 -0.015 0.000 0.286 421 H C 1.788 177.066 175.328 -0.083 0.000 1.037 421 H CA 0.588 56.608 56.048 -0.046 0.000 1.250 421 H CB -1.203 28.550 29.762 -0.016 0.000 1.373 421 H HN 0.225 nan 8.280 nan 0.000 0.580 422 L N 0.421 121.406 121.223 -0.397 0.000 2.509 422 L HA -0.012 4.318 4.340 -0.015 0.000 0.222 422 L C 1.931 178.541 176.870 -0.433 0.000 1.123 422 L CA -0.033 54.576 54.840 -0.386 0.000 0.856 422 L CB -0.226 41.553 42.059 -0.466 0.000 0.985 422 L HN 0.114 nan 8.230 nan 0.000 0.456 423 N N 0.635 119.143 118.700 -0.320 0.000 2.094 423 N HA -0.205 4.526 4.740 -0.015 0.000 0.191 423 N C 2.081 177.449 175.510 -0.237 0.000 1.023 423 N CA 1.941 54.825 53.050 -0.277 0.000 0.857 423 N CB -0.290 38.087 38.487 -0.182 0.000 1.013 423 N HN 0.396 nan 8.380 nan 0.000 0.426 424 S N 0.851 116.448 115.700 -0.173 0.000 2.419 424 S HA -0.047 4.413 4.470 -0.015 0.000 0.235 424 S C 1.636 176.152 174.600 -0.141 0.000 1.019 424 S CA 0.609 58.735 58.200 -0.123 0.000 0.982 424 S CB -0.149 63.006 63.200 -0.075 0.000 0.789 424 S HN 0.238 nan 8.310 nan 0.000 0.490 425 R N 0.764 121.133 120.500 -0.217 0.000 2.280 425 R HA 0.258 4.589 4.340 -0.015 0.000 0.207 425 R C 0.153 176.325 176.300 -0.213 0.000 1.043 425 R CA 0.484 56.457 56.100 -0.211 0.000 1.006 425 R CB -0.393 29.724 30.300 -0.305 0.000 0.885 425 R HN 0.529 nan 8.270 nan 0.000 0.467 426 I N 0.997 121.417 120.570 -0.250 0.000 2.503 426 I HA 0.170 4.330 4.170 -0.015 0.000 0.277 426 I C 0.741 176.787 176.117 -0.118 0.000 1.078 426 I CA -0.113 61.076 61.300 -0.184 0.000 1.184 426 I CB 1.311 39.159 38.000 -0.254 0.000 1.353 426 I HN -0.182 nan 8.210 nan 0.000 0.490 427 K N 2.364 122.718 120.400 -0.076 0.000 2.350 427 K HA 0.151 4.462 4.320 -0.015 0.000 0.196 427 K C -0.295 176.283 176.600 -0.037 0.000 1.084 427 K CA 0.422 56.676 56.287 -0.055 0.000 0.967 427 K CB 0.480 32.955 32.500 -0.043 0.000 0.950 427 K HN 0.683 nan 8.250 nan 0.000 0.512 428 D N -2.416 117.967 120.400 -0.028 0.000 2.768 428 D HA 0.110 4.740 4.640 -0.015 0.000 0.327 428 D C 0.654 176.950 176.300 -0.008 0.000 1.302 428 D CA -0.713 53.278 54.000 -0.015 0.000 0.897 428 D CB 0.189 40.984 40.800 -0.009 0.000 1.420 428 D HN -0.373 nan 8.370 nan 0.000 0.494 429 M N -0.615 118.985 119.600 0.000 0.000 2.082 429 M HA -0.010 4.460 4.480 -0.015 0.000 0.258 429 M C -0.984 175.323 176.300 0.012 0.000 1.071 429 M CA 1.829 57.133 55.300 0.007 0.000 1.103 429 M CB -2.460 30.148 32.600 0.013 0.000 1.307 429 M HN 0.390 nan 8.290 nan 0.000 0.409 430 P HA -0.129 nan 4.420 nan 0.000 0.214 430 P C 1.770 179.086 177.300 0.027 0.000 1.163 430 P CA 2.436 65.550 63.100 0.023 0.000 0.889 430 P CB -0.266 31.446 31.700 0.020 0.000 0.790 431 S N -0.768 114.943 115.700 0.019 0.000 2.382 431 S HA -0.129 4.332 4.470 -0.015 0.000 0.228 431 S C 2.079 176.705 174.600 0.043 0.000 1.027 431 S CA 1.234 59.449 58.200 0.025 0.000 0.991 431 S CB -1.475 61.725 63.200 -0.001 0.000 0.823 431 S HN 0.113 nan 8.310 nan 0.000 0.469 432 A N 1.274 124.106 122.820 0.019 0.000 1.845 432 A HA -0.045 4.266 4.320 -0.015 0.000 0.215 432 A C 2.575 180.175 177.584 0.026 0.000 1.195 432 A CA 1.460 53.510 52.037 0.023 0.000 0.616 432 A CB -1.607 17.384 19.000 -0.013 0.000 0.832 432 A HN 0.693 nan 8.150 nan 0.000 0.443 433 C N -1.067 118.234 119.300 0.002 0.000 2.388 433 C HA -0.157 4.294 4.460 -0.015 0.000 0.277 433 C C 2.817 177.802 174.990 -0.008 0.000 1.210 433 C CA 1.291 60.297 59.018 -0.019 0.000 1.743 433 C CB -1.465 26.285 27.740 0.018 0.000 2.047 433 C HN 0.620 nan 8.230 nan 0.000 0.458 434 R N -0.523 120.001 120.500 0.039 0.000 2.133 434 R HA -0.230 4.100 4.340 -0.015 0.000 0.245 434 R C 2.083 178.417 176.300 0.056 0.000 1.137 434 R CA 2.327 58.462 56.100 0.060 0.000 0.947 434 R CB -0.756 29.589 30.300 0.076 0.000 0.865 434 R HN 0.612 nan 8.270 nan 0.000 0.437 435 F N 1.211 121.127 119.950 -0.057 0.000 2.069 435 F HA -0.228 4.289 4.527 -0.016 0.000 0.298 435 F C 2.066 177.799 175.800 -0.112 0.000 1.113 435 F CA 1.448 59.402 58.000 -0.076 0.000 1.214 435 F CB -0.577 38.354 39.000 -0.115 0.000 0.978 435 F HN -0.026 nan 8.300 nan 0.000 0.474 436 L N 0.987 122.011 121.223 -0.333 0.000 2.046 436 L HA -0.218 4.112 4.340 -0.015 0.000 0.208 436 L C 2.300 178.821 176.870 -0.581 0.000 1.077 436 L CA 2.443 56.920 54.840 -0.605 0.000 0.747 436 L CB -1.288 40.385 42.059 -0.644 0.000 0.896 436 L HN 0.421 nan 8.230 nan 0.000 0.432 437 D N -1.746 118.475 120.400 -0.297 0.000 2.178 437 D HA -0.199 4.432 4.640 -0.015 0.000 0.202 437 D C 1.986 178.309 176.300 0.038 0.000 0.974 437 D CA 1.298 55.278 54.000 -0.033 0.000 0.841 437 D CB 0.256 41.149 40.800 0.155 0.000 0.953 437 D HN 0.451 nan 8.370 nan 0.000 0.478 438 S N -1.256 114.392 115.700 -0.085 0.000 2.377 438 S HA -0.147 4.314 4.470 -0.015 0.000 0.223 438 S C 2.033 176.531 174.600 -0.170 0.000 1.030 438 S CA 0.507 58.676 58.200 -0.052 0.000 0.970 438 S CB -0.693 62.495 63.200 -0.021 0.000 0.830 438 S HN 0.482 nan 8.310 nan 0.000 0.473 439 Y N 0.373 120.367 120.300 -0.510 0.000 2.128 439 Y HA -0.168 4.372 4.550 -0.016 0.000 0.284 439 Y C 1.911 177.668 175.900 -0.239 0.000 1.154 439 Y CA 2.081 59.872 58.100 -0.514 0.000 1.149 439 Y CB -0.346 37.622 38.460 -0.820 0.000 0.976 439 Y HN 0.357 nan 8.280 nan 0.000 0.505 440 W N 1.125 122.157 121.300 -0.448 0.000 2.425 440 W HA -0.115 4.535 4.660 -0.016 0.000 0.277 440 W C 1.926 178.267 176.519 -0.297 0.000 1.231 440 W CA 1.152 58.208 57.345 -0.481 0.000 1.248 440 W CB -0.797 28.367 29.460 -0.492 0.000 1.117 440 W HN 0.311 nan 8.180 nan 0.000 0.568 441 Q N -0.584 119.179 119.800 -0.062 0.000 2.415 441 Q HA 0.166 4.497 4.340 -0.015 0.000 0.206 441 Q C 1.626 177.228 176.000 -0.664 0.000 0.946 441 Q CA 0.656 56.288 55.803 -0.285 0.000 0.951 441 Q CB -0.237 28.182 28.738 -0.532 0.000 1.026 441 Q HN 0.304 nan 8.270 nan 0.000 0.510 442 G N 0.718 109.050 108.800 -0.780 0.000 2.155 442 G HA2 -0.321 3.630 3.960 -0.015 0.000 0.257 442 G HA3 -0.321 3.630 3.960 -0.015 0.000 0.257 442 G C 0.188 174.760 174.900 -0.547 0.000 0.983 442 G CA 0.545 44.902 45.100 -1.238 0.000 0.676 442 G HN 0.648 nan 8.290 nan 0.000 0.528 443 H N 0.028 118.914 119.070 -0.308 0.000 2.543 443 H HA 0.218 4.764 4.556 -0.015 0.000 0.269 443 H C 0.930 176.201 175.328 -0.095 0.000 1.005 443 H CA 0.188 56.146 56.048 -0.151 0.000 1.146 443 H CB 0.430 30.145 29.762 -0.078 0.000 1.353 443 H HN 0.367 nan 8.280 nan 0.000 0.595 444 E N 0.647 120.842 120.200 -0.008 0.000 2.259 444 E HA -0.001 4.340 4.350 -0.015 0.000 0.257 444 E C 0.933 177.547 176.600 0.024 0.000 0.998 444 E CA -0.292 56.137 56.400 0.049 0.000 0.866 444 E CB 1.176 30.935 29.700 0.098 0.000 1.220 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N 0.522 120.763 120.200 0.069 0.000 2.418 445 E HA -0.057 4.283 4.350 -0.015 0.000 0.197 445 E C 0.574 177.155 176.600 -0.031 0.000 1.026 445 E CA 0.557 56.993 56.400 0.059 0.000 0.862 445 E CB -0.254 29.527 29.700 0.136 0.000 0.799 445 E HN 0.425 nan 8.360 nan 0.000 0.518 446 I N -1.238 119.289 120.570 -0.072 0.000 2.474 446 I HA 0.598 4.759 4.170 -0.015 0.000 0.294 446 I C -0.477 175.527 176.117 -0.189 0.000 1.005 446 I CA -1.279 59.842 61.300 -0.299 0.000 1.113 446 I CB 1.793 39.634 38.000 -0.265 0.000 1.289 446 I HN -0.150 nan 8.210 nan 0.000 0.436 447 R N 4.049 124.236 120.500 -0.520 0.000 2.817 447 R HA 0.667 4.998 4.340 -0.015 0.000 0.268 447 R C -1.528 174.475 176.300 -0.494 0.000 1.027 447 R CA -0.949 54.867 56.100 -0.472 0.000 0.928 447 R CB 2.433 32.506 30.300 -0.379 0.000 1.228 447 R HN 0.837 nan 8.270 nan 0.000 0.469 448 Q N 0.660 120.310 119.800 -0.251 0.000 2.482 448 Q HA 0.637 4.968 4.340 -0.015 0.000 0.286 448 Q C -1.308 174.694 176.000 0.005 0.000 1.007 448 Q CA -1.051 54.674 55.803 -0.129 0.000 0.801 448 Q CB 2.032 30.738 28.738 -0.053 0.000 1.455 448 Q HN 0.628 nan 8.270 nan 0.000 0.398 449 I N -0.606 119.902 120.570 -0.102 0.000 2.499 449 I HA 0.885 5.046 4.170 -0.015 0.000 0.288 449 I C -0.900 175.009 176.117 -0.346 0.000 1.048 449 I CA -0.634 60.508 61.300 -0.264 0.000 1.062 449 I CB 2.167 39.789 38.000 -0.630 0.000 1.238 449 I HN 0.877 nan 8.210 nan 0.000 0.426 450 S N 3.905 119.701 115.700 0.160 0.000 2.588 450 S HA 0.707 5.168 4.470 -0.015 0.000 0.269 450 S C -1.153 173.869 174.600 0.703 0.000 1.157 450 S CA -0.950 57.520 58.200 0.449 0.000 0.824 450 S CB 2.279 65.714 63.200 0.391 0.000 1.126 450 S HN 0.883 nan 8.310 nan 0.000 0.464 451 K N 1.053 121.766 120.400 0.522 0.000 2.656 451 K HA 0.596 4.907 4.320 -0.015 0.000 0.253 451 K C 0.149 176.878 176.600 0.215 0.000 1.002 451 K CA 0.036 56.531 56.287 0.347 0.000 0.880 451 K CB 1.121 33.761 32.500 0.234 0.000 1.232 451 K HN 0.877 nan 8.250 nan 0.000 0.456 452 S N 1.863 117.661 115.700 0.164 0.000 4.137 452 S HA -0.292 4.169 4.470 -0.015 0.000 0.550 452 S C 0.564 175.180 174.600 0.027 0.000 1.887 452 S CA 1.975 60.186 58.200 0.018 0.000 4.230 452 S CB -0.993 62.153 63.200 -0.089 0.000 0.378 452 S HN 1.017 nan 8.310 nan 0.000 0.490 453 D N 1.827 122.160 120.400 -0.111 0.000 2.328 453 D HA 0.299 4.929 4.640 -0.015 0.000 0.221 453 D C -0.101 176.307 176.300 0.181 0.000 1.072 453 D CA 0.235 54.258 54.000 0.039 0.000 0.850 453 D CB -0.310 40.470 40.800 -0.033 0.000 0.922 453 D HN 0.350 nan 8.370 nan 0.000 0.516 454 D N 0.012 120.522 120.400 0.184 0.000 2.248 454 D HA 0.675 5.305 4.640 -0.015 0.000 0.246 454 D C -1.054 175.457 176.300 0.351 0.000 1.027 454 D CA -0.656 53.477 54.000 0.223 0.000 0.853 454 D CB 1.826 42.694 40.800 0.113 0.000 1.243 454 D HN 0.167 nan 8.370 nan 0.000 0.462 455 A N 2.537 125.491 122.820 0.223 0.000 2.544 455 A HA 0.657 4.967 4.320 -0.015 0.000 0.291 455 A C -1.599 175.843 177.584 -0.237 0.000 1.055 455 A CA -0.707 51.277 52.037 -0.088 0.000 0.651 455 A CB 1.101 19.858 19.000 -0.406 0.000 1.296 455 A HN 0.498 nan 8.150 nan 0.000 0.431 456 M N 1.426 120.794 119.600 -0.386 0.000 2.267 456 M HA 0.444 4.915 4.480 -0.015 0.000 0.289 456 M C -1.498 174.741 176.300 -0.101 0.000 1.043 456 M CA -0.164 55.044 55.300 -0.153 0.000 0.928 456 M CB 1.805 34.350 32.600 -0.093 0.000 1.613 456 M HN 0.584 nan 8.290 nan 0.000 0.450 457 L N 2.492 123.627 121.223 -0.148 0.000 2.289 457 L HA 0.833 5.164 4.340 -0.015 0.000 0.285 457 L C 0.452 176.929 176.870 -0.655 0.000 1.049 457 L CA -0.639 53.962 54.840 -0.399 0.000 0.804 457 L CB 1.430 43.328 42.059 -0.270 0.000 1.195 457 L HN 0.794 nan 8.230 nan 0.000 0.428 458 G N 2.082 110.022 108.800 -1.433 0.000 2.498 458 G HA2 0.619 4.569 3.960 -0.015 0.000 0.312 458 G HA3 0.619 4.569 3.960 -0.015 0.000 0.312 458 G C -1.921 172.178 174.900 -1.336 0.000 1.230 458 G CA -0.356 43.691 45.100 -1.756 0.000 0.968 458 G HN 0.474 nan 8.290 nan 0.000 0.481 459 W N 1.117 122.096 121.300 -0.534 0.000 2.957 459 W HA 0.417 5.067 4.660 -0.015 0.000 0.336 459 W C 0.201 176.653 176.519 -0.112 0.000 1.087 459 W CA -0.596 56.609 57.345 -0.233 0.000 1.235 459 W CB 2.351 31.749 29.460 -0.104 0.000 1.399 459 W HN 0.804 nan 8.180 nan 0.000 0.480 460 T N -0.348 114.278 114.554 0.121 0.000 2.897 460 T HA 0.411 4.751 4.350 -0.015 0.000 0.278 460 T C 0.265 175.076 174.700 0.184 0.000 0.981 460 T CA -0.858 61.337 62.100 0.157 0.000 0.973 460 T CB 1.541 70.480 68.868 0.118 0.000 1.092 460 T HN 0.044 nan 8.240 nan 0.000 0.543 461 K N 0.906 121.399 120.400 0.155 0.000 2.448 461 K HA 0.549 4.860 4.320 -0.015 0.000 0.278 461 K C 0.634 177.307 176.600 0.121 0.000 1.009 461 K CA 0.494 56.859 56.287 0.131 0.000 0.995 461 K CB 0.332 32.893 32.500 0.100 0.000 0.917 461 K HN 1.086 nan 8.250 nan 0.000 0.481 462 G N 1.238 110.106 108.800 0.114 0.000 2.343 462 G HA2 0.001 3.952 3.960 -0.015 0.000 0.289 462 G HA3 0.001 3.952 3.960 -0.015 0.000 0.289 462 G C 0.290 175.242 174.900 0.087 0.000 1.295 462 G CA -0.821 44.338 45.100 0.099 0.000 0.869 462 G HN 0.455 nan 8.290 nan 0.000 0.522 463 R N -0.426 120.098 120.500 0.041 0.000 2.081 463 R HA -0.014 4.316 4.340 -0.015 0.000 0.235 463 R C 2.928 179.304 176.300 0.127 0.000 1.131 463 R CA 1.929 58.008 56.100 -0.035 0.000 0.960 463 R CB -0.365 29.701 30.300 -0.389 0.000 0.856 463 R HN 0.581 nan 8.270 nan 0.000 0.436 464 A N 1.053 124.062 122.820 0.315 0.000 2.015 464 A HA -0.122 4.188 4.320 -0.015 0.000 0.219 464 A C 1.984 179.727 177.584 0.266 0.000 1.163 464 A CA 0.688 52.966 52.037 0.402 0.000 0.646 464 A CB -0.354 18.953 19.000 0.512 0.000 0.806 464 A HN 0.236 nan 8.150 nan 0.000 0.448 465 L N -0.005 121.366 121.223 0.247 0.000 2.089 465 L HA -0.160 4.171 4.340 -0.015 0.000 0.213 465 L C 2.368 179.279 176.870 0.068 0.000 1.079 465 L CA 2.302 57.228 54.840 0.143 0.000 0.758 465 L CB -0.775 41.401 42.059 0.195 0.000 0.891 465 L HN 0.222 nan 8.230 nan 0.000 0.433 466 V N -0.293 119.660 119.914 0.065 0.000 2.427 466 V HA -0.108 4.003 4.120 -0.015 0.000 0.248 466 V C 2.391 178.484 176.094 -0.001 0.000 1.051 466 V CA 1.790 64.110 62.300 0.032 0.000 1.048 466 V CB -0.745 31.080 31.823 0.003 0.000 0.666 466 V HN 0.594 nan 8.190 nan 0.000 0.456 467 G N -0.429 108.363 108.800 -0.014 0.000 2.418 467 G HA2 -0.142 3.809 3.960 -0.015 0.000 0.217 467 G HA3 -0.142 3.809 3.960 -0.015 0.000 0.217 467 G C 1.596 176.368 174.900 -0.213 0.000 1.158 467 G CA 0.838 45.920 45.100 -0.029 0.000 0.771 467 G HN 0.688 nan 8.290 nan 0.000 0.545 468 G N 0.307 108.749 108.800 -0.596 0.000 2.553 468 G HA2 -0.320 3.630 3.960 -0.015 0.000 0.218 468 G HA3 -0.320 3.630 3.960 -0.015 0.000 0.218 468 G C 1.603 176.043 174.900 -0.766 0.000 1.195 468 G CA 1.241 45.473 45.100 -1.447 0.000 0.779 468 G HN 0.531 nan 8.290 nan 0.000 0.577 469 H N 0.279 119.089 119.070 -0.433 0.000 2.353 469 H HA -0.054 4.492 4.556 -0.015 0.000 0.298 469 H C 2.864 178.104 175.328 -0.146 0.000 1.103 469 H CA 1.534 57.452 56.048 -0.217 0.000 1.293 469 H CB -0.064 29.590 29.762 -0.180 0.000 1.372 469 H HN 0.276 nan 8.280 nan 0.000 0.501 470 R N 0.253 120.744 120.500 -0.016 0.000 2.091 470 R HA -0.146 4.185 4.340 -0.015 0.000 0.238 470 R C 2.476 178.770 176.300 -0.009 0.000 1.136 470 R CA 1.150 57.246 56.100 -0.006 0.000 0.959 470 R CB -0.407 29.899 30.300 0.009 0.000 0.856 470 R HN 0.145 nan 8.270 nan 0.000 0.437 471 L N 0.396 121.586 121.223 -0.054 0.000 1.989 471 L HA -0.196 4.135 4.340 -0.015 0.000 0.211 471 L C 2.060 178.957 176.870 0.046 0.000 1.071 471 L CA 1.748 56.552 54.840 -0.061 0.000 0.749 471 L CB -0.944 41.066 42.059 -0.081 0.000 0.890 471 L HN 0.073 nan 8.230 nan 0.000 0.431 472 F N 0.915 120.769 119.950 -0.161 0.000 2.120 472 F HA -0.252 4.266 4.527 -0.015 0.000 0.300 472 F C 2.489 178.281 175.800 -0.014 0.000 1.095 472 F CA 2.039 59.985 58.000 -0.090 0.000 1.249 472 F CB -0.688 38.202 39.000 -0.184 0.000 0.995 472 F HN 0.384 nan 8.300 nan 0.000 0.480 473 E N 0.101 120.373 120.200 0.120 0.000 2.106 473 E HA -0.227 4.113 4.350 -0.015 0.000 0.192 473 E C 2.429 179.059 176.600 0.050 0.000 0.984 473 E CA 1.464 57.888 56.400 0.039 0.000 0.806 473 E CB -0.560 29.142 29.700 0.004 0.000 0.750 473 E HN 0.482 nan 8.360 nan 0.000 0.458 474 M N -0.306 119.324 119.600 0.049 0.000 2.149 474 M HA -0.168 4.303 4.480 -0.015 0.000 0.261 474 M C 1.657 178.000 176.300 0.072 0.000 1.064 474 M CA 1.354 56.673 55.300 0.032 0.000 1.102 474 M CB -0.022 32.562 32.600 -0.026 0.000 1.369 474 M HN 0.216 nan 8.290 nan 0.000 0.408 475 L N -0.049 121.254 121.223 0.134 0.000 2.044 475 L HA -0.211 4.120 4.340 -0.015 0.000 0.205 475 L C 2.600 179.610 176.870 0.234 0.000 1.075 475 L CA 1.406 56.386 54.840 0.234 0.000 0.747 475 L CB -0.753 41.503 42.059 0.327 0.000 0.903 475 L HN 0.333 nan 8.230 nan 0.000 0.435 476 K N 0.648 121.084 120.400 0.061 0.000 2.009 476 K HA -0.236 4.075 4.320 -0.015 0.000 0.210 476 K C 1.889 178.483 176.600 -0.011 0.000 1.049 476 K CA 1.833 58.018 56.287 -0.170 0.000 0.929 476 K CB -0.051 32.196 32.500 -0.422 0.000 0.714 476 K HN 0.321 nan 8.250 nan 0.000 0.440 477 E N -0.479 119.720 120.200 -0.002 0.000 2.265 477 E HA -0.081 4.259 4.350 -0.015 0.000 0.196 477 E C 0.713 177.351 176.600 0.063 0.000 0.996 477 E CA 0.485 56.894 56.400 0.016 0.000 0.832 477 E CB -0.224 29.481 29.700 0.009 0.000 0.756 477 E HN 0.615 nan 8.360 nan 0.000 0.491 478 G N 1.940 110.804 108.800 0.106 0.000 2.424 478 G HA2 -0.332 3.618 3.960 -0.015 0.000 0.290 478 G HA3 -0.332 3.618 3.960 -0.015 0.000 0.290 478 G C 0.509 175.456 174.900 0.078 0.000 0.912 478 G CA 1.098 46.271 45.100 0.121 0.000 1.142 478 G HN 0.266 nan 8.290 nan 0.000 0.501 479 K N -1.557 118.878 120.400 0.058 0.000 2.391 479 K HA 0.327 4.638 4.320 -0.015 0.000 0.197 479 K C 0.530 177.156 176.600 0.043 0.000 1.087 479 K CA 0.039 56.353 56.287 0.045 0.000 1.012 479 K CB 1.208 33.729 32.500 0.035 0.000 0.925 479 K HN 0.259 nan 8.250 nan 0.000 0.547 480 V N 1.978 121.920 119.914 0.047 0.000 2.656 480 V HA 0.175 4.286 4.120 -0.015 0.000 0.307 480 V C -1.039 175.084 176.094 0.048 0.000 1.051 480 V CA -1.151 61.177 62.300 0.046 0.000 0.893 480 V CB 1.779 33.631 31.823 0.049 0.000 0.999 480 V HN 0.159 nan 8.190 nan 0.000 0.426 481 N N 6.880 125.607 118.700 0.045 0.000 2.430 481 N HA 0.308 5.039 4.740 -0.015 0.000 0.265 481 N C -1.189 174.358 175.510 0.061 0.000 1.100 481 N CA -1.736 51.341 53.050 0.045 0.000 0.961 481 N CB 1.521 40.024 38.487 0.026 0.000 1.075 481 N HN 0.368 nan 8.380 nan 0.000 0.478 482 P HA -0.015 nan 4.420 nan 0.000 0.239 482 P C -0.293 177.134 177.300 0.212 0.000 1.184 482 P CA 0.421 63.565 63.100 0.074 0.000 0.760 482 P CB 0.431 32.074 31.700 -0.095 0.000 0.884 483 S N 0.426 116.193 115.700 0.112 0.000 2.570 483 S HA 0.538 4.999 4.470 -0.015 0.000 0.286 483 S C -2.294 172.272 174.600 -0.056 0.000 1.099 483 S CA -1.751 56.486 58.200 0.062 0.000 0.913 483 S CB 1.942 65.209 63.200 0.113 0.000 1.085 483 S HN -0.159 nan 8.310 nan 0.000 0.480 484 P HA 0.186 nan 4.420 nan 0.000 0.264 484 P C 0.124 177.253 177.300 -0.284 0.000 1.259 484 P CA 0.264 63.154 63.100 -0.350 0.000 0.841 484 P CB 0.117 31.480 31.700 -0.561 0.000 1.232 485 Y N -0.727 119.645 120.300 0.120 0.000 2.396 485 Y HA 0.289 4.830 4.550 -0.015 0.000 0.292 485 Y C 1.632 177.548 175.900 0.027 0.000 1.128 485 Y CA 0.544 58.732 58.100 0.146 0.000 1.194 485 Y CB -0.102 38.496 38.460 0.230 0.000 1.124 485 Y HN -0.151 nan 8.280 nan 0.000 0.543 486 M N -0.485 119.186 119.600 0.120 0.000 2.667 486 M HA 0.292 4.762 4.480 -0.015 0.000 0.286 486 M C -0.892 175.346 176.300 -0.103 0.000 1.270 486 M CA -1.016 54.251 55.300 -0.056 0.000 0.826 486 M CB 1.945 34.559 32.600 0.024 0.000 1.743 486 M HN -0.201 nan 8.290 nan 0.000 0.460 487 K N 1.886 122.145 120.400 -0.235 0.000 2.273 487 K HA 0.455 4.766 4.320 -0.015 0.000 0.287 487 K C -0.675 175.921 176.600 -0.006 0.000 1.089 487 K CA -0.258 55.946 56.287 -0.138 0.000 0.909 487 K CB 0.399 32.768 32.500 -0.219 0.000 1.123 487 K HN 0.380 nan 8.250 nan 0.000 0.473 488 I N 1.655 122.258 120.570 0.056 0.000 2.676 488 I HA 0.309 4.470 4.170 -0.015 0.000 0.309 488 I C 0.760 176.949 176.117 0.120 0.000 0.990 488 I CA -0.342 61.035 61.300 0.127 0.000 1.168 488 I CB 1.375 39.486 38.000 0.185 0.000 1.343 488 I HN 0.630 nan 8.210 nan 0.000 0.482 489 S N 2.897 118.683 115.700 0.144 0.000 2.655 489 S HA 0.545 5.006 4.470 -0.015 0.000 0.266 489 S C -1.163 173.542 174.600 0.175 0.000 1.149 489 S CA -0.935 57.353 58.200 0.147 0.000 0.818 489 S CB 1.429 64.662 63.200 0.056 0.000 1.130 489 S HN 0.499 nan 8.310 nan 0.000 0.476 490 Y N 0.282 120.667 120.300 0.141 0.000 2.352 490 Y HA 0.732 5.272 4.550 -0.015 0.000 0.326 490 Y C 0.090 176.082 175.900 0.155 0.000 1.166 490 Y CA -0.946 57.238 58.100 0.140 0.000 1.182 490 Y CB 0.634 39.204 38.460 0.183 0.000 1.216 490 Y HN 0.920 nan 8.280 nan 0.000 0.474 491 E N 3.205 123.447 120.200 0.069 0.000 2.217 491 E HA -0.036 4.305 4.350 -0.015 0.000 0.279 491 E C -0.691 175.964 176.600 0.092 0.000 1.068 491 E CA -0.382 56.038 56.400 0.033 0.000 0.882 491 E CB 0.220 29.985 29.700 0.109 0.000 1.039 491 E HN 0.844 nan 8.360 nan 0.000 0.418 492 H N 4.542 123.556 119.070 -0.094 0.000 3.330 492 H HA 0.171 4.718 4.556 -0.016 0.000 0.260 492 H C -0.073 175.321 175.328 0.110 0.000 1.439 492 H CA 1.206 57.288 56.048 0.057 0.000 1.540 492 H CB -0.361 29.387 29.762 -0.023 0.000 1.698 492 H HN 0.854 nan 8.280 nan 0.000 0.516 493 G N 3.476 112.285 108.800 0.015 0.000 2.857 493 G HA2 -0.171 3.780 3.960 -0.015 0.000 0.166 493 G HA3 -0.171 3.780 3.960 -0.015 0.000 0.166 493 G C 0.443 175.417 174.900 0.123 0.000 1.060 493 G CA -0.472 44.655 45.100 0.045 0.000 0.976 493 G HN 0.883 nan 8.290 nan 0.000 0.549 494 G N -0.103 108.809 108.800 0.187 0.000 2.138 494 G HA2 0.607 4.558 3.960 -0.015 0.000 0.263 494 G HA3 0.607 4.558 3.960 -0.015 0.000 0.263 494 G C 0.526 175.543 174.900 0.195 0.000 1.103 494 G CA 1.042 46.271 45.100 0.215 0.000 1.014 494 G HN 1.927 nan 8.290 nan 0.000 0.418 495 A N 2.414 125.351 122.820 0.196 0.000 2.587 495 A HA 0.786 5.097 4.320 -0.015 0.000 0.293 495 A C -1.598 176.139 177.584 0.255 0.000 1.087 495 A CA -0.706 51.464 52.037 0.221 0.000 0.692 495 A CB 1.811 20.890 19.000 0.133 0.000 1.291 495 A HN 1.123 nan 8.150 nan 0.000 0.407 496 F N 1.851 121.810 119.950 0.015 0.000 2.539 496 F HA 0.581 5.099 4.527 -0.015 0.000 0.318 496 F C 0.051 175.711 175.800 -0.233 0.000 1.135 496 F CA -1.029 56.903 58.000 -0.115 0.000 0.915 496 F CB 1.497 40.408 39.000 -0.148 0.000 1.176 496 F HN 0.489 nan 8.300 nan 0.000 0.440 497 L N 5.926 126.641 121.223 -0.846 0.000 3.742 497 L HA -0.143 4.188 4.340 -0.015 0.000 0.431 497 L C 1.108 177.704 176.870 -0.456 0.000 1.220 497 L CA 1.586 55.959 54.840 -0.779 0.000 0.863 497 L CB -1.521 39.837 42.059 -1.169 0.000 1.751 497 L HN 1.310 nan 8.230 nan 0.000 0.922 498 G N -1.970 106.664 108.800 -0.276 0.000 2.195 498 G HA2 -0.226 3.725 3.960 -0.015 0.000 0.246 498 G HA3 -0.226 3.725 3.960 -0.015 0.000 0.246 498 G C 0.187 175.007 174.900 -0.133 0.000 0.984 498 G CA 0.251 45.245 45.100 -0.177 0.000 0.633 498 G HN 0.498 nan 8.290 nan 0.000 0.525 499 D N 0.341 120.638 120.400 -0.172 0.000 2.256 499 D HA 0.578 5.209 4.640 -0.015 0.000 0.246 499 D C 0.382 176.736 176.300 0.091 0.000 1.042 499 D CA -0.386 53.559 54.000 -0.091 0.000 0.841 499 D CB 1.761 42.407 40.800 -0.256 0.000 1.223 499 D HN 0.230 nan 8.370 nan 0.000 0.470 500 I N 1.663 122.333 120.570 0.166 0.000 2.472 500 I HA 0.068 4.229 4.170 -0.015 0.000 0.290 500 I C -0.090 176.184 176.117 0.261 0.000 1.016 500 I CA -0.802 60.617 61.300 0.198 0.000 1.348 500 I CB 1.277 39.343 38.000 0.111 0.000 1.417 500 I HN 0.046 nan 8.210 nan 0.000 0.521 501 L N 7.527 128.826 121.223 0.126 0.000 2.268 501 L HA 0.291 4.622 4.340 -0.015 0.000 0.289 501 L C -0.666 176.028 176.870 -0.293 0.000 1.064 501 L CA -0.337 54.331 54.840 -0.286 0.000 0.824 501 L CB 0.701 42.495 42.059 -0.441 0.000 1.202 501 L HN 0.351 nan 8.230 nan 0.000 0.433 502 L N 6.727 127.784 121.223 -0.277 0.000 2.268 502 L HA 0.375 4.706 4.340 -0.015 0.000 0.289 502 L C -0.920 175.846 176.870 -0.174 0.000 1.064 502 L CA 0.024 54.786 54.840 -0.129 0.000 0.824 502 L CB 0.051 42.087 42.059 -0.039 0.000 1.202 502 L HN 0.415 nan 8.230 nan 0.000 0.433 503 Y N 2.678 123.011 120.300 0.055 0.000 2.301 503 Y HA 0.346 4.887 4.550 -0.016 0.000 0.325 503 Y C 0.637 176.595 175.900 0.096 0.000 1.203 503 Y CA -0.497 57.638 58.100 0.059 0.000 1.255 503 Y CB 0.816 39.328 38.460 0.085 0.000 1.232 503 Y HN 0.709 nan 8.280 nan 0.000 0.501 504 D N -1.406 119.128 120.400 0.223 0.000 2.560 504 D HA 0.153 4.784 4.640 -0.015 0.000 0.277 504 D C 1.145 177.511 176.300 0.110 0.000 1.194 504 D CA -0.081 54.009 54.000 0.150 0.000 1.092 504 D CB -0.278 40.579 40.800 0.095 0.000 1.169 504 D HN 0.385 nan 8.370 nan 0.000 0.607 505 S N -0.974 114.760 115.700 0.056 0.000 2.400 505 S HA -0.213 4.248 4.470 -0.015 0.000 0.232 505 S C 1.755 176.352 174.600 -0.005 0.000 1.025 505 S CA 0.523 58.724 58.200 0.001 0.000 0.993 505 S CB -0.458 62.740 63.200 -0.004 0.000 0.808 505 S HN 0.340 nan 8.310 nan 0.000 0.478 506 R N 1.114 121.629 120.500 0.025 0.000 2.091 506 R HA 0.056 4.387 4.340 -0.015 0.000 0.238 506 R C 0.254 176.559 176.300 0.007 0.000 1.136 506 R CA 0.767 56.879 56.100 0.021 0.000 0.959 506 R CB -0.892 29.436 30.300 0.047 0.000 0.856 506 R HN 0.378 nan 8.270 nan 0.000 0.437 507 R N 1.046 121.573 120.500 0.046 0.000 3.184 507 R HA -0.122 4.209 4.340 -0.015 0.000 0.257 507 R C -1.003 175.287 176.300 -0.016 0.000 0.999 507 R CA 0.592 56.660 56.100 -0.052 0.000 0.670 507 R CB -2.351 27.832 30.300 -0.196 0.000 1.197 507 R HN 0.545 nan 8.270 nan 0.000 0.419 508 E N -0.651 119.689 120.200 0.233 0.000 2.308 508 E HA 0.262 4.602 4.350 -0.015 0.000 0.275 508 E C -2.095 174.696 176.600 0.319 0.000 0.890 508 E CA -2.214 54.328 56.400 0.238 0.000 0.754 508 E CB 1.941 31.723 29.700 0.137 0.000 1.207 508 E HN -0.257 nan 8.360 nan 0.000 0.426 509 P HA -0.222 nan 4.420 nan 0.000 0.218 509 P C 1.175 178.475 177.300 -0.000 0.000 1.146 509 P CA 1.548 64.734 63.100 0.143 0.000 0.820 509 P CB 0.218 32.060 31.700 0.237 0.000 0.778 510 G N -0.890 107.944 108.800 0.056 0.000 2.430 510 G HA2 -0.148 3.803 3.960 -0.015 0.000 0.216 510 G HA3 -0.148 3.803 3.960 -0.015 0.000 0.216 510 G C 1.392 176.288 174.900 -0.006 0.000 1.146 510 G CA 0.859 45.969 45.100 0.016 0.000 0.793 510 G HN 0.420 nan 8.290 nan 0.000 0.537 511 S N -0.330 115.384 115.700 0.023 0.000 2.577 511 S HA 0.670 5.131 4.470 -0.015 0.000 0.219 511 S C 0.927 175.517 174.600 -0.018 0.000 0.962 511 S CA 0.312 58.521 58.200 0.015 0.000 0.921 511 S CB 0.320 63.549 63.200 0.048 0.000 0.789 511 S HN 0.494 nan 8.310 nan 0.000 0.497 512 A N 1.803 124.568 122.820 -0.092 0.000 2.264 512 A HA 0.848 5.159 4.320 -0.015 0.000 0.304 512 A C -0.016 177.390 177.584 -0.298 0.000 1.100 512 A CA -1.038 50.849 52.037 -0.250 0.000 0.839 512 A CB 0.404 19.052 19.000 -0.586 0.000 1.121 512 A HN 0.847 nan 8.150 nan 0.000 0.496 513 I N -3.614 116.761 120.570 -0.325 0.000 3.074 513 I HA 0.643 4.803 4.170 -0.015 0.000 0.310 513 I C -1.371 174.574 176.117 -0.287 0.000 1.153 513 I CA -0.890 60.255 61.300 -0.259 0.000 0.993 513 I CB 2.201 40.139 38.000 -0.103 0.000 1.237 513 I HN 0.485 nan 8.210 nan 0.000 0.443 514 F N 3.707 123.587 119.950 -0.117 0.000 2.334 514 F HA 0.541 5.059 4.527 -0.015 0.000 0.367 514 F C 0.252 176.008 175.800 -0.072 0.000 1.115 514 F CA -0.928 57.012 58.000 -0.099 0.000 1.116 514 F CB 1.797 40.739 39.000 -0.097 0.000 1.230 514 F HN 0.369 nan 8.300 nan 0.000 0.484 515 V N 1.396 121.405 119.914 0.157 0.000 2.850 515 V HA 0.851 4.962 4.120 -0.015 0.000 0.315 515 V C 0.386 176.522 176.094 0.069 0.000 1.064 515 V CA -0.831 61.517 62.300 0.080 0.000 0.979 515 V CB 1.157 33.017 31.823 0.063 0.000 1.039 515 V HN 0.671 nan 8.190 nan 0.000 0.452 516 G N 1.076 109.895 108.800 0.032 0.000 2.527 516 G HA2 0.183 4.134 3.960 -0.015 0.000 0.248 516 G HA3 0.183 4.134 3.960 -0.015 0.000 0.248 516 G C -0.034 174.945 174.900 0.132 0.000 1.231 516 G CA -0.450 44.657 45.100 0.012 0.000 0.838 516 G HN 0.930 nan 8.290 nan 0.000 0.570 517 N N 1.022 119.810 118.700 0.147 0.000 2.405 517 N HA 0.005 4.735 4.740 -0.015 0.000 0.260 517 N C 1.264 176.940 175.510 0.277 0.000 1.152 517 N CA -0.603 52.546 53.050 0.165 0.000 0.948 517 N CB 0.986 39.540 38.487 0.111 0.000 1.111 517 N HN 0.268 nan 8.380 nan 0.000 0.485 518 I N 4.535 125.236 120.570 0.218 0.000 2.361 518 I HA -0.202 3.959 4.170 -0.015 0.000 0.251 518 I C 1.703 177.893 176.117 0.123 0.000 1.133 518 I CA 1.136 62.551 61.300 0.191 0.000 1.413 518 I CB -0.428 37.667 38.000 0.159 0.000 1.073 518 I HN 0.612 nan 8.210 nan 0.000 0.424 519 N N -0.152 118.620 118.700 0.121 0.000 2.104 519 N HA -0.182 4.549 4.740 -0.015 0.000 0.190 519 N C 1.908 177.470 175.510 0.086 0.000 1.024 519 N CA 1.742 54.850 53.050 0.098 0.000 0.853 519 N CB -0.104 38.374 38.487 -0.014 0.000 1.008 519 N HN 0.352 nan 8.380 nan 0.000 0.424 520 S N -0.002 115.765 115.700 0.112 0.000 2.419 520 S HA -0.178 4.283 4.470 -0.015 0.000 0.235 520 S C 1.857 176.500 174.600 0.072 0.000 1.019 520 S CA 0.950 59.234 58.200 0.140 0.000 0.982 520 S CB -0.252 63.087 63.200 0.231 0.000 0.789 520 S HN 0.423 nan 8.310 nan 0.000 0.490 521 M N 1.386 120.872 119.600 -0.191 0.000 2.077 521 M HA -0.057 4.414 4.480 -0.015 0.000 0.261 521 M C 1.858 178.004 176.300 -0.257 0.000 1.070 521 M CA 1.509 56.398 55.300 -0.685 0.000 1.125 521 M CB -0.333 31.520 32.600 -1.245 0.000 1.339 521 M HN 0.259 nan 8.290 nan 0.000 0.409 522 L N 0.635 121.801 121.223 -0.095 0.000 2.013 522 L HA -0.316 4.015 4.340 -0.015 0.000 0.212 522 L C 2.227 179.148 176.870 0.085 0.000 1.073 522 L CA 1.414 56.292 54.840 0.063 0.000 0.753 522 L CB -1.369 40.827 42.059 0.230 0.000 0.890 522 L HN 0.417 nan 8.230 nan 0.000 0.432 523 N N 0.409 119.166 118.700 0.095 0.000 2.043 523 N HA -0.188 4.543 4.740 -0.015 0.000 0.193 523 N C 1.545 177.109 175.510 0.089 0.000 1.037 523 N CA 1.618 54.737 53.050 0.115 0.000 0.851 523 N CB -0.786 37.756 38.487 0.092 0.000 1.027 523 N HN 0.452 nan 8.380 nan 0.000 0.422 524 N N 0.851 119.588 118.700 0.062 0.000 2.036 524 N HA -0.172 4.559 4.740 -0.015 0.000 0.195 524 N C 1.689 177.226 175.510 0.045 0.000 1.037 524 N CA 1.084 54.180 53.050 0.077 0.000 0.855 524 N CB -0.121 38.436 38.487 0.116 0.000 1.033 524 N HN 0.422 nan 8.380 nan 0.000 0.423 525 Q N -0.542 119.203 119.800 -0.093 0.000 2.123 525 Q HA -0.035 4.296 4.340 -0.015 0.000 0.199 525 Q C 0.864 176.758 176.000 -0.177 0.000 0.966 525 Q CA 1.078 56.743 55.803 -0.229 0.000 0.845 525 Q CB 0.148 28.484 28.738 -0.669 0.000 0.907 525 Q HN 0.470 nan 8.270 nan 0.000 0.439 526 F N -1.831 118.380 119.950 0.434 0.000 2.706 526 F HA 0.258 4.776 4.527 -0.015 0.000 0.313 526 F C 0.710 176.786 175.800 0.459 0.000 1.096 526 F CA -0.356 57.995 58.000 0.585 0.000 1.219 526 F CB 1.214 40.549 39.000 0.559 0.000 1.051 526 F HN -0.287 nan 8.300 nan 0.000 0.568 527 S N 1.336 117.264 115.700 0.381 0.000 2.526 527 S HA 0.211 4.671 4.470 -0.015 0.000 0.220 527 S C -2.426 172.267 174.600 0.154 0.000 1.159 527 S CA -0.997 57.373 58.200 0.282 0.000 1.196 527 S CB 0.173 63.523 63.200 0.251 0.000 1.225 527 S HN -0.112 nan 8.310 nan 0.000 0.432 528 P HA 0.018 nan 4.420 nan 0.000 0.270 528 P C 0.477 177.782 177.300 0.009 0.000 1.227 528 P CA 0.111 63.238 63.100 0.045 0.000 0.788 528 P CB 0.909 32.598 31.700 -0.019 0.000 0.926 529 E N -0.100 120.083 120.200 -0.028 0.000 2.318 529 E HA -0.029 4.312 4.350 -0.015 0.000 0.193 529 E C -0.321 176.026 176.600 -0.421 0.000 0.998 529 E CA 0.339 56.608 56.400 -0.217 0.000 0.859 529 E CB 0.135 29.684 29.700 -0.252 0.000 0.812 529 E HN 0.451 nan 8.360 nan 0.000 0.492 530 Y N -1.409 118.880 120.300 -0.018 0.000 2.581 530 Y HA 0.533 5.074 4.550 -0.015 0.000 0.345 530 Y C 0.719 176.583 175.900 -0.059 0.000 1.036 530 Y CA -0.910 57.168 58.100 -0.037 0.000 1.042 530 Y CB 1.668 40.107 38.460 -0.035 0.000 1.289 530 Y HN -0.082 nan 8.280 nan 0.000 0.471 531 G N -0.032 108.835 108.800 0.112 0.000 2.553 531 G HA2 0.348 4.299 3.960 -0.015 0.000 0.278 531 G HA3 0.348 4.299 3.960 -0.015 0.000 0.278 531 G C 0.690 175.588 174.900 -0.003 0.000 1.349 531 G CA -0.130 44.978 45.100 0.014 0.000 1.037 531 G HN 0.764 nan 8.290 nan 0.000 0.508 532 V N -3.269 116.625 119.914 -0.034 0.000 3.573 532 V HA 0.134 4.245 4.120 -0.015 0.000 0.270 532 V C 0.895 176.957 176.094 -0.054 0.000 1.221 532 V CA 0.975 63.249 62.300 -0.043 0.000 1.163 532 V CB -1.419 30.390 31.823 -0.022 0.000 0.847 532 V HN 0.743 nan 8.190 nan 0.000 0.468 533 Q N 1.374 121.149 119.800 -0.042 0.000 2.423 533 Q HA -0.241 4.089 4.340 -0.015 0.000 0.332 533 Q C 1.426 177.395 176.000 -0.050 0.000 1.355 533 Q CA 0.650 56.424 55.803 -0.049 0.000 0.947 533 Q CB -1.870 26.824 28.738 -0.074 0.000 1.189 533 Q HN 0.967 nan 8.270 nan 0.000 0.418 534 S N -2.214 113.466 115.700 -0.034 0.000 2.500 534 S HA -0.117 4.343 4.470 -0.015 0.000 0.239 534 S C 1.755 176.342 174.600 -0.023 0.000 0.989 534 S CA 0.657 58.840 58.200 -0.027 0.000 0.951 534 S CB 0.052 63.246 63.200 -0.010 0.000 0.759 534 S HN 0.699 nan 8.310 nan 0.000 0.523 535 G N 0.904 109.690 108.800 -0.024 0.000 2.572 535 G HA2 0.157 4.108 3.960 -0.015 0.000 0.216 535 G HA3 0.157 4.108 3.960 -0.015 0.000 0.216 535 G C 0.316 175.203 174.900 -0.022 0.000 1.133 535 G CA -0.013 45.075 45.100 -0.019 0.000 0.791 535 G HN 0.449 nan 8.290 nan 0.000 0.538 536 V N 2.207 122.100 119.914 -0.034 0.000 2.368 536 V HA 0.217 4.328 4.120 -0.015 0.000 0.266 536 V C 1.192 177.271 176.094 -0.025 0.000 1.045 536 V CA -0.823 61.456 62.300 -0.036 0.000 0.899 536 V CB 1.281 33.069 31.823 -0.058 0.000 1.006 536 V HN 0.176 nan 8.190 nan 0.000 0.470 537 R N 1.989 122.487 120.500 -0.003 0.000 2.096 537 R HA -0.057 4.274 4.340 -0.015 0.000 0.235 537 R C 0.782 177.123 176.300 0.068 0.000 1.127 537 R CA 0.686 56.801 56.100 0.025 0.000 0.968 537 R CB -0.283 30.030 30.300 0.021 0.000 0.861 537 R HN 0.681 nan 8.270 nan 0.000 0.440 538 D N 1.073 121.506 120.400 0.055 0.000 2.422 538 D HA 0.075 4.706 4.640 -0.015 0.000 0.227 538 D C 0.642 176.951 176.300 0.014 0.000 1.190 538 D CA -0.082 53.992 54.000 0.123 0.000 0.905 538 D CB 0.407 41.257 40.800 0.083 0.000 1.034 538 D HN -0.018 nan 8.370 nan 0.000 0.507 539 R N 1.122 121.578 120.500 -0.074 0.000 2.200 539 R HA -0.132 4.198 4.340 -0.015 0.000 0.234 539 R C 2.091 178.109 176.300 -0.471 0.000 1.127 539 R CA 1.293 57.118 56.100 -0.457 0.000 0.989 539 R CB -0.090 29.652 30.300 -0.931 0.000 0.869 539 R HN 0.390 nan 8.270 nan 0.000 0.459 540 S N 0.818 116.364 115.700 -0.256 0.000 2.447 540 S HA -0.081 4.379 4.470 -0.015 0.000 0.233 540 S C 1.608 176.148 174.600 -0.101 0.000 1.006 540 S CA 0.780 58.906 58.200 -0.125 0.000 0.957 540 S CB 0.073 63.323 63.200 0.084 0.000 0.773 540 S HN 0.269 nan 8.310 nan 0.000 0.507 541 K N 0.537 120.882 120.400 -0.091 0.000 2.400 541 K HA 0.194 4.505 4.320 -0.015 0.000 0.194 541 K C 0.639 177.155 176.600 -0.139 0.000 1.033 541 K CA -0.038 56.193 56.287 -0.092 0.000 1.021 541 K CB 0.181 32.644 32.500 -0.061 0.000 0.808 541 K HN 0.379 nan 8.250 nan 0.000 0.505 542 R N 1.012 121.404 120.500 -0.181 0.000 2.679 542 R HA 0.095 4.426 4.340 -0.015 0.000 0.269 542 R C 1.139 177.302 176.300 -0.227 0.000 1.076 542 R CA -0.299 55.678 56.100 -0.205 0.000 1.160 542 R CB 0.421 30.585 30.300 -0.227 0.000 1.054 542 R HN -0.154 nan 8.270 nan 0.000 0.507 543 K N 1.631 121.864 120.400 -0.279 0.000 2.155 543 K HA -0.071 4.239 4.320 -0.015 0.000 0.203 543 K C 0.390 176.895 176.600 -0.160 0.000 1.052 543 K CA 1.341 57.433 56.287 -0.325 0.000 0.948 543 K CB 0.126 32.199 32.500 -0.711 0.000 0.728 543 K HN 0.412 nan 8.250 nan 0.000 0.448 544 R N 0.477 120.893 120.500 -0.140 0.000 2.564 544 R HA 0.176 4.507 4.340 -0.015 0.000 0.282 544 R C -2.172 174.008 176.300 -0.199 0.000 1.573 544 R CA -1.435 54.608 56.100 -0.094 0.000 1.588 544 R CB 1.109 31.391 30.300 -0.031 0.000 1.154 544 R HN -0.113 nan 8.270 nan 0.000 0.606 545 P HA -0.180 nan 4.420 nan 0.000 0.214 545 P C -0.286 176.405 177.300 -1.016 0.000 1.169 545 P CA 1.455 64.133 63.100 -0.702 0.000 0.908 545 P CB 0.225 31.576 31.700 -0.581 0.000 0.791 546 F N -3.911 115.986 119.950 -0.088 0.000 2.660 546 F HA 0.353 4.871 4.527 -0.015 0.000 0.352 546 F C -1.899 173.893 175.800 -0.013 0.000 1.257 546 F CA -2.103 55.857 58.000 -0.066 0.000 1.200 546 F CB 0.981 39.929 39.000 -0.086 0.000 1.473 546 F HN -0.096 nan 8.300 nan 0.000 0.561 547 P HA -0.201 nan 4.420 nan 0.000 0.215 547 P C 1.994 179.374 177.300 0.134 0.000 1.163 547 P CA 2.101 65.292 63.100 0.152 0.000 0.894 547 P CB 0.220 32.040 31.700 0.200 0.000 0.791 548 G N -0.305 108.529 108.800 0.057 0.000 2.485 548 G HA2 -0.259 3.692 3.960 -0.015 0.000 0.221 548 G HA3 -0.259 3.692 3.960 -0.015 0.000 0.221 548 G C 1.438 176.367 174.900 0.049 0.000 1.115 548 G CA 0.567 45.645 45.100 -0.038 0.000 0.751 548 G HN 0.242 nan 8.290 nan 0.000 0.567 549 L N 0.462 121.740 121.223 0.092 0.000 2.127 549 L HA -0.111 4.219 4.340 -0.015 0.000 0.211 549 L C 3.267 180.208 176.870 0.118 0.000 1.089 549 L CA 0.945 55.836 54.840 0.086 0.000 0.757 549 L CB -0.474 41.626 42.059 0.069 0.000 0.899 549 L HN 0.327 nan 8.230 nan 0.000 0.434 550 A N -0.846 122.066 122.820 0.154 0.000 2.172 550 A HA -0.233 4.078 4.320 -0.015 0.000 0.216 550 A C 2.121 179.834 177.584 0.216 0.000 1.154 550 A CA 0.696 52.840 52.037 0.178 0.000 0.701 550 A CB -0.771 18.350 19.000 0.203 0.000 0.789 550 A HN 0.682 nan 8.150 nan 0.000 0.465 551 W N 0.507 121.801 121.300 -0.009 0.000 2.381 551 W HA -0.151 4.499 4.660 -0.016 0.000 0.301 551 W C 2.256 178.780 176.519 0.008 0.000 1.205 551 W CA 1.386 58.714 57.345 -0.029 0.000 1.285 551 W CB -0.172 29.216 29.460 -0.120 0.000 1.133 551 W HN 0.439 nan 8.180 nan 0.000 0.521 552 A N 0.847 123.734 122.820 0.112 0.000 1.917 552 A HA -0.284 4.027 4.320 -0.015 0.000 0.219 552 A C 1.975 179.534 177.584 -0.041 0.000 1.182 552 A CA 2.857 54.900 52.037 0.011 0.000 0.633 552 A CB -1.251 17.766 19.000 0.028 0.000 0.819 552 A HN 0.374 nan 8.150 nan 0.000 0.448 553 S N -1.194 114.504 115.700 -0.004 0.000 2.496 553 S HA 0.001 4.462 4.470 -0.015 0.000 0.224 553 S C 1.838 176.443 174.600 0.009 0.000 0.996 553 S CA 0.960 59.153 58.200 -0.011 0.000 0.927 553 S CB -0.523 62.681 63.200 0.006 0.000 0.774 553 S HN 0.546 nan 8.310 nan 0.000 0.524 554 M N 1.827 121.439 119.600 0.021 0.000 2.204 554 M HA -0.319 4.152 4.480 -0.015 0.000 0.255 554 M C 2.197 178.592 176.300 0.157 0.000 1.073 554 M CA 2.412 57.783 55.300 0.120 0.000 1.084 554 M CB -0.279 32.229 32.600 -0.152 0.000 1.289 554 M HN 0.303 nan 8.290 nan 0.000 0.419 555 K N 0.731 121.129 120.400 -0.003 0.000 2.044 555 K HA -0.242 4.069 4.320 -0.015 0.000 0.210 555 K C 1.765 178.271 176.600 -0.155 0.000 1.049 555 K CA 2.409 58.638 56.287 -0.097 0.000 0.927 555 K CB -0.866 31.564 32.500 -0.117 0.000 0.713 555 K HN 0.628 nan 8.250 nan 0.000 0.443 556 D N -1.139 119.198 120.400 -0.106 0.000 2.097 556 D HA -0.139 4.491 4.640 -0.015 0.000 0.195 556 D C 1.285 177.505 176.300 -0.133 0.000 0.989 556 D CA 1.724 55.655 54.000 -0.114 0.000 0.827 556 D CB 0.090 40.834 40.800 -0.094 0.000 0.966 556 D HN 0.297 nan 8.370 nan 0.000 0.456 557 T N -0.772 113.698 114.554 -0.140 0.000 2.701 557 T HA -0.142 4.198 4.350 -0.015 0.000 0.263 557 T C 1.380 175.805 174.700 -0.458 0.000 1.040 557 T CA 1.269 63.167 62.100 -0.336 0.000 1.147 557 T CB -0.318 68.247 68.868 -0.506 0.000 0.865 557 T HN 0.273 nan 8.240 nan 0.000 0.426 558 Y N 0.241 120.556 120.300 0.025 0.000 2.444 558 Y HA 0.425 4.966 4.550 -0.016 0.000 0.249 558 Y C 2.421 178.272 175.900 -0.081 0.000 1.134 558 Y CA -0.608 57.535 58.100 0.071 0.000 1.261 558 Y CB -0.645 37.953 38.460 0.230 0.000 1.143 558 Y HN 0.205 nan 8.280 nan 0.000 0.523 559 G N 0.914 109.515 108.800 -0.331 0.000 2.503 559 G HA2 -0.332 3.618 3.960 -0.015 0.000 0.221 559 G HA3 -0.332 3.618 3.960 -0.015 0.000 0.221 559 G C 1.832 176.485 174.900 -0.412 0.000 1.131 559 G CA 1.138 45.716 45.100 -0.871 0.000 0.756 559 G HN 0.455 nan 8.290 nan 0.000 0.572 560 A N -0.849 121.859 122.820 -0.186 0.000 2.216 560 A HA 0.137 4.447 4.320 -0.015 0.000 0.214 560 A C 1.513 179.089 177.584 -0.012 0.000 1.160 560 A CA 0.557 52.544 52.037 -0.083 0.000 0.725 560 A CB -0.776 18.193 19.000 -0.052 0.000 0.784 560 A HN 0.445 nan 8.150 nan 0.000 0.472 561 C N 0.239 119.561 119.300 0.036 0.000 2.642 561 C HA 0.285 4.736 4.460 -0.015 0.000 0.420 561 C C -0.527 174.525 174.990 0.104 0.000 1.349 561 C CA -1.118 57.968 59.018 0.112 0.000 1.821 561 C CB 0.419 28.292 27.740 0.222 0.000 2.637 561 C HN 0.426 nan 8.230 nan 0.000 0.605 562 P HA -0.097 nan 4.420 nan 0.000 0.215 562 P C 0.850 178.205 177.300 0.091 0.000 1.153 562 P CA 1.725 64.875 63.100 0.084 0.000 0.853 562 P CB -0.067 31.680 31.700 0.078 0.000 0.788 563 I N -6.113 114.484 120.570 0.045 0.000 3.855 563 I HA 0.160 4.320 4.170 -0.015 0.000 0.327 563 I C 1.837 177.943 176.117 -0.018 0.000 1.359 563 I CA -0.374 60.889 61.300 -0.062 0.000 1.142 563 I CB -0.797 36.943 38.000 -0.433 0.000 1.041 563 I HN -0.159 nan 8.210 nan 0.000 0.403 564 Y N 2.393 122.672 120.300 -0.036 0.000 1.940 564 Y HA -0.422 4.118 4.550 -0.016 0.000 0.250 564 Y C 2.770 178.664 175.900 -0.009 0.000 1.132 564 Y CA 2.732 60.825 58.100 -0.012 0.000 1.079 564 Y CB -0.533 37.939 38.460 0.020 0.000 0.940 564 Y HN 0.282 nan 8.280 nan 0.000 0.490 565 S N 0.479 116.338 115.700 0.264 0.000 2.406 565 S HA -0.374 4.087 4.470 -0.015 0.000 0.242 565 S C 1.397 176.014 174.600 0.030 0.000 1.079 565 S CA 2.053 60.332 58.200 0.131 0.000 1.133 565 S CB -0.949 62.355 63.200 0.172 0.000 1.005 565 S HN 0.655 nan 8.310 nan 0.000 0.443 566 D N 0.570 121.001 120.400 0.051 0.000 2.116 566 D HA -0.090 4.541 4.640 -0.015 0.000 0.193 566 D C 1.962 178.262 176.300 0.000 0.000 0.998 566 D CA 1.171 55.221 54.000 0.083 0.000 0.836 566 D CB -0.536 40.366 40.800 0.169 0.000 0.951 566 D HN 0.237 nan 8.370 nan 0.000 0.449 567 V N 0.655 120.483 119.914 -0.144 0.000 2.295 567 V HA -0.217 3.894 4.120 -0.015 0.000 0.246 567 V C 2.473 178.515 176.094 -0.087 0.000 1.049 567 V CA 1.259 63.468 62.300 -0.151 0.000 1.024 567 V CB -0.543 31.156 31.823 -0.206 0.000 0.648 567 V HN 0.268 nan 8.190 nan 0.000 0.447 568 L N -0.424 120.704 121.223 -0.158 0.000 2.079 568 L HA -0.241 4.090 4.340 -0.015 0.000 0.210 568 L C 2.598 179.498 176.870 0.051 0.000 1.081 568 L CA 1.804 56.602 54.840 -0.070 0.000 0.752 568 L CB -0.597 41.350 42.059 -0.186 0.000 0.896 568 L HN 0.448 nan 8.230 nan 0.000 0.433 569 E N -0.094 120.129 120.200 0.037 0.000 2.047 569 E HA -0.188 4.152 4.350 -0.015 0.000 0.191 569 E C 2.328 178.957 176.600 0.048 0.000 0.987 569 E CA 1.035 57.477 56.400 0.069 0.000 0.799 569 E CB -0.151 29.591 29.700 0.070 0.000 0.752 569 E HN 0.475 nan 8.360 nan 0.000 0.449 570 A N 1.402 124.226 122.820 0.007 0.000 1.917 570 A HA -0.239 4.071 4.320 -0.015 0.000 0.219 570 A C 2.160 179.735 177.584 -0.015 0.000 1.182 570 A CA 1.395 53.372 52.037 -0.101 0.000 0.633 570 A CB -0.758 18.205 19.000 -0.062 0.000 0.819 570 A HN 0.157 nan 8.150 nan 0.000 0.448 571 I N -1.135 119.481 120.570 0.077 0.000 2.072 571 I HA -0.281 3.880 4.170 -0.015 0.000 0.235 571 I C 2.558 178.840 176.117 0.276 0.000 1.058 571 I CA 1.925 63.347 61.300 0.203 0.000 1.320 571 I CB -0.501 37.587 38.000 0.147 0.000 1.047 571 I HN 0.466 nan 8.210 nan 0.000 0.397 572 E N 1.105 121.447 120.200 0.237 0.000 2.136 572 E HA -0.323 4.018 4.350 -0.015 0.000 0.202 572 E C 2.203 179.045 176.600 0.404 0.000 1.019 572 E CA 1.950 58.544 56.400 0.323 0.000 0.819 572 E CB -0.186 29.685 29.700 0.284 0.000 0.739 572 E HN 0.223 nan 8.360 nan 0.000 0.458 573 R N -0.649 120.012 120.500 0.268 0.000 2.070 573 R HA -0.116 4.215 4.340 -0.015 0.000 0.232 573 R C 2.392 178.866 176.300 0.290 0.000 1.138 573 R CA 1.853 58.089 56.100 0.226 0.000 0.936 573 R CB -0.795 29.527 30.300 0.036 0.000 0.839 573 R HN 0.356 nan 8.270 nan 0.000 0.429 574 C N -0.081 119.366 119.300 0.244 0.000 2.410 574 C HA -0.115 4.335 4.460 -0.015 0.000 0.281 574 C C 2.297 177.609 174.990 0.537 0.000 1.318 574 C CA 0.137 59.338 59.018 0.306 0.000 1.776 574 C CB -1.362 26.491 27.740 0.187 0.000 1.942 574 C HN 0.679 nan 8.230 nan 0.000 0.508 575 W N -0.744 120.744 121.300 0.313 0.000 2.453 575 W HA -0.053 4.597 4.660 -0.016 0.000 0.289 575 W C 2.176 178.782 176.519 0.145 0.000 1.215 575 W CA 0.724 58.112 57.345 0.072 0.000 1.297 575 W CB -0.630 28.712 29.460 -0.197 0.000 1.113 575 W HN 0.452 nan 8.180 nan 0.000 0.551 576 W N 1.564 123.053 121.300 0.316 0.000 2.355 576 W HA -0.228 4.423 4.660 -0.015 0.000 0.309 576 W C 2.280 178.856 176.519 0.095 0.000 1.206 576 W CA 1.811 59.272 57.345 0.194 0.000 1.284 576 W CB -0.786 28.762 29.460 0.147 0.000 1.145 576 W HN -0.224 nan 8.180 nan 0.000 0.502 577 N N -0.111 118.791 118.700 0.338 0.000 2.205 577 N HA -0.170 4.561 4.740 -0.015 0.000 0.186 577 N C 1.531 177.057 175.510 0.027 0.000 1.015 577 N CA 1.958 55.114 53.050 0.176 0.000 0.862 577 N CB -0.963 37.599 38.487 0.124 0.000 0.986 577 N HN 0.198 nan 8.380 nan 0.000 0.429 578 A N -1.063 121.734 122.820 -0.037 0.000 1.997 578 A HA 0.199 4.510 4.320 -0.015 0.000 0.212 578 A C 1.190 178.387 177.584 -0.646 0.000 1.178 578 A CA 0.469 52.313 52.037 -0.323 0.000 0.698 578 A CB -0.046 18.760 19.000 -0.324 0.000 0.842 578 A HN 0.193 nan 8.150 nan 0.000 0.458 579 F N -1.339 118.308 119.950 -0.504 0.000 2.767 579 F HA 0.375 4.892 4.527 -0.016 0.000 0.323 579 F C 1.618 177.145 175.800 -0.455 0.000 1.091 579 F CA 0.129 57.814 58.000 -0.525 0.000 1.192 579 F CB 0.357 38.900 39.000 -0.763 0.000 1.056 579 F HN 0.268 nan 8.300 nan 0.000 0.571 580 G N 1.394 109.987 108.800 -0.345 0.000 2.273 580 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.280 580 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.280 580 G C -0.118 174.118 174.900 -1.106 0.000 1.047 580 G CA 0.350 45.069 45.100 -0.635 0.000 0.869 580 G HN 0.360 nan 8.290 nan 0.000 0.502 581 E N -1.052 118.454 120.200 -1.155 0.000 2.433 581 E HA 0.494 4.834 4.350 -0.015 0.000 0.278 581 E C -0.725 175.486 176.600 -0.650 0.000 0.976 581 E CA -0.609 55.332 56.400 -0.765 0.000 0.793 581 E CB 1.586 31.131 29.700 -0.257 0.000 1.311 581 E HN 0.322 nan 8.360 nan 0.000 0.460 582 S N 0.781 116.367 115.700 -0.190 0.000 2.439 582 S HA 0.091 4.552 4.470 -0.015 0.000 0.282 582 S C 0.572 175.133 174.600 -0.065 0.000 1.170 582 S CA -0.353 57.903 58.200 0.094 0.000 1.054 582 S CB 0.035 63.367 63.200 0.219 0.000 0.956 582 S HN 0.670 nan 8.310 nan 0.000 0.490 583 Y N 5.654 125.772 120.300 -0.304 0.000 2.181 583 Y HA -0.148 4.393 4.550 -0.016 0.000 0.288 583 Y C 2.436 178.029 175.900 -0.512 0.000 1.146 583 Y CA 2.094 59.711 58.100 -0.804 0.000 1.164 583 Y CB -0.141 37.709 38.460 -1.016 0.000 0.982 583 Y HN 0.797 nan 8.280 nan 0.000 0.515 584 R N 0.408 120.772 120.500 -0.228 0.000 2.096 584 R HA -0.232 4.098 4.340 -0.015 0.000 0.240 584 R C 2.376 178.425 176.300 -0.418 0.000 1.139 584 R CA 1.616 57.569 56.100 -0.245 0.000 0.952 584 R CB -0.671 29.704 30.300 0.126 0.000 0.854 584 R HN 0.455 nan 8.270 nan 0.000 0.436 585 A N 0.130 122.812 122.820 -0.231 0.000 1.883 585 A HA -0.240 4.070 4.320 -0.015 0.000 0.217 585 A C 2.048 179.442 177.584 -0.315 0.000 1.186 585 A CA 1.515 53.436 52.037 -0.194 0.000 0.624 585 A CB -1.055 17.903 19.000 -0.070 0.000 0.822 585 A HN 0.641 nan 8.150 nan 0.000 0.444 586 Y N 1.061 121.030 120.300 -0.553 0.000 2.081 586 Y HA -0.271 4.270 4.550 -0.016 0.000 0.280 586 Y C 2.381 177.808 175.900 -0.787 0.000 1.163 586 Y CA 2.317 60.042 58.100 -0.625 0.000 1.135 586 Y CB -0.286 37.722 38.460 -0.753 0.000 0.970 586 Y HN 0.233 nan 8.280 nan 0.000 0.498 587 R N 0.711 120.413 120.500 -1.330 0.000 2.115 587 R HA -0.107 4.223 4.340 -0.015 0.000 0.230 587 R C 2.096 177.726 176.300 -1.117 0.000 1.111 587 R CA 1.516 56.656 56.100 -1.600 0.000 0.976 587 R CB -0.822 27.880 30.300 -2.664 0.000 0.870 587 R HN 0.586 nan 8.270 nan 0.000 0.445 588 E N 0.632 120.342 120.200 -0.818 0.000 2.150 588 E HA -0.138 4.203 4.350 -0.015 0.000 0.193 588 E C 1.244 177.664 176.600 -0.300 0.000 0.985 588 E CA 0.957 57.123 56.400 -0.391 0.000 0.814 588 E CB 0.031 29.616 29.700 -0.191 0.000 0.752 588 E HN 0.282 nan 8.360 nan 0.000 0.466 589 D N 0.599 120.794 120.400 -0.341 0.000 2.084 589 D HA -0.155 4.476 4.640 -0.015 0.000 0.196 589 D C 1.904 178.045 176.300 -0.265 0.000 0.985 589 D CA 0.896 54.750 54.000 -0.243 0.000 0.826 589 D CB -0.230 40.449 40.800 -0.201 0.000 0.978 589 D HN 0.110 nan 8.370 nan 0.000 0.456 590 M N 0.469 119.813 119.600 -0.425 0.000 2.144 590 M HA -0.169 4.302 4.480 -0.015 0.000 0.260 590 M C 2.186 178.348 176.300 -0.231 0.000 1.067 590 M CA 1.048 56.121 55.300 -0.377 0.000 1.095 590 M CB -0.033 32.200 32.600 -0.612 0.000 1.365 590 M HN 0.032 nan 8.290 nan 0.000 0.406 591 L N 0.105 121.183 121.223 -0.241 0.000 1.989 591 L HA -0.310 4.021 4.340 -0.015 0.000 0.211 591 L C 2.372 179.200 176.870 -0.070 0.000 1.071 591 L CA 1.765 56.544 54.840 -0.102 0.000 0.749 591 L CB -0.406 41.630 42.059 -0.038 0.000 0.890 591 L HN 0.320 nan 8.230 nan 0.000 0.431 592 K N -0.640 119.710 120.400 -0.083 0.000 2.009 592 K HA -0.244 4.067 4.320 -0.015 0.000 0.210 592 K C 2.171 178.744 176.600 -0.044 0.000 1.049 592 K CA 1.651 57.905 56.287 -0.056 0.000 0.929 592 K CB -0.180 32.286 32.500 -0.057 0.000 0.714 592 K HN 0.239 nan 8.250 nan 0.000 0.440 593 R N 0.907 121.374 120.500 -0.054 0.000 2.080 593 R HA -0.157 4.174 4.340 -0.015 0.000 0.236 593 R C 2.045 178.352 176.300 0.012 0.000 1.137 593 R CA 2.027 58.113 56.100 -0.023 0.000 0.943 593 R CB -0.239 30.039 30.300 -0.036 0.000 0.846 593 R HN 0.183 nan 8.270 nan 0.000 0.431 594 D N -0.752 119.657 120.400 0.015 0.000 2.117 594 D HA -0.117 4.514 4.640 -0.015 0.000 0.197 594 D C 1.815 178.111 176.300 -0.006 0.000 0.987 594 D CA 1.579 55.629 54.000 0.083 0.000 0.829 594 D CB -0.389 40.479 40.800 0.112 0.000 0.961 594 D HN 0.200 nan 8.370 nan 0.000 0.460 595 T N 0.916 115.442 114.554 -0.046 0.000 2.737 595 T HA -0.121 4.219 4.350 -0.015 0.000 0.269 595 T C 2.133 176.787 174.700 -0.076 0.000 1.040 595 T CA 0.673 62.721 62.100 -0.088 0.000 1.142 595 T CB -0.212 68.621 68.868 -0.058 0.000 0.861 595 T HN 0.155 nan 8.240 nan 0.000 0.456 596 L N 0.306 121.512 121.223 -0.029 0.000 2.072 596 L HA -0.019 4.311 4.340 -0.015 0.000 0.205 596 L C 2.798 179.687 176.870 0.031 0.000 1.079 596 L CA 1.123 55.960 54.840 -0.005 0.000 0.752 596 L CB -0.430 41.632 42.059 0.006 0.000 0.906 596 L HN 0.174 nan 8.230 nan 0.000 0.436 597 E N 0.597 120.843 120.200 0.077 0.000 2.110 597 E HA -0.233 4.107 4.350 -0.015 0.000 0.193 597 E C 1.971 178.706 176.600 0.225 0.000 0.988 597 E CA 0.958 57.482 56.400 0.206 0.000 0.804 597 E CB -0.207 29.673 29.700 0.300 0.000 0.745 597 E HN 0.200 nan 8.360 nan 0.000 0.458 598 L N 0.701 121.855 121.223 -0.115 0.000 1.990 598 L HA -0.225 4.105 4.340 -0.015 0.000 0.213 598 L C 2.244 179.070 176.870 -0.074 0.000 1.072 598 L CA 2.601 57.175 54.840 -0.443 0.000 0.755 598 L CB -1.254 40.393 42.059 -0.687 0.000 0.889 598 L HN 0.286 nan 8.230 nan 0.000 0.432 599 S N -0.703 114.965 115.700 -0.053 0.000 2.441 599 S HA -0.323 4.138 4.470 -0.015 0.000 0.242 599 S C 2.145 176.764 174.600 0.031 0.000 1.018 599 S CA 1.414 59.605 58.200 -0.015 0.000 0.988 599 S CB -0.932 62.254 63.200 -0.024 0.000 0.778 599 S HN 0.634 nan 8.310 nan 0.000 0.498 600 R N -0.126 120.428 120.500 0.090 0.000 2.148 600 R HA -0.043 4.288 4.340 -0.015 0.000 0.227 600 R C 1.080 177.326 176.300 -0.090 0.000 1.103 600 R CA 1.245 57.345 56.100 0.001 0.000 0.983 600 R CB -0.190 30.105 30.300 -0.009 0.000 0.874 600 R HN 0.588 nan 8.270 nan 0.000 0.451 601 Y N -0.965 119.348 120.300 0.022 0.000 2.458 601 Y HA 0.218 4.758 4.550 -0.016 0.000 0.254 601 Y C 0.097 175.999 175.900 0.002 0.000 1.120 601 Y CA -0.262 57.865 58.100 0.044 0.000 1.282 601 Y CB 0.999 39.543 38.460 0.140 0.000 1.109 601 Y HN -0.228 nan 8.280 nan 0.000 0.526 602 V N 0.761 120.735 119.914 0.100 0.000 2.311 602 V HA 0.400 4.510 4.120 -0.015 0.000 0.275 602 V C 1.039 177.138 176.094 0.009 0.000 1.022 602 V CA -0.378 61.943 62.300 0.034 0.000 0.830 602 V CB 0.628 32.443 31.823 -0.014 0.000 1.012 602 V HN 0.315 nan 8.190 nan 0.000 0.452 603 A N 4.355 127.180 122.820 0.007 0.000 1.903 603 A HA -0.180 4.131 4.320 -0.015 0.000 0.219 603 A C 2.282 179.859 177.584 -0.012 0.000 1.191 603 A CA 2.522 54.556 52.037 -0.006 0.000 0.638 603 A CB -0.496 18.502 19.000 -0.004 0.000 0.823 603 A HN 1.016 nan 8.150 nan 0.000 0.451 604 S N -1.165 114.527 115.700 -0.013 0.000 2.515 604 S HA 0.179 4.640 4.470 -0.015 0.000 0.231 604 S C 0.827 175.413 174.600 -0.024 0.000 0.987 604 S CA 0.224 58.413 58.200 -0.019 0.000 0.936 604 S CB -0.390 62.797 63.200 -0.020 0.000 0.766 604 S HN 0.477 nan 8.310 nan 0.000 0.528 605 M N 2.273 121.858 119.600 -0.025 0.000 2.180 605 M HA 0.461 4.932 4.480 -0.015 0.000 0.358 605 M C 0.483 176.768 176.300 -0.026 0.000 1.233 605 M CA -0.404 54.877 55.300 -0.031 0.000 1.114 605 M CB 1.123 33.699 32.600 -0.042 0.000 1.594 605 M HN 0.281 nan 8.290 nan 0.000 0.467 606 A N 3.385 126.189 122.820 -0.026 0.000 2.466 606 A HA 0.116 4.427 4.320 -0.015 0.000 0.238 606 A C 0.441 178.012 177.584 -0.021 0.000 1.074 606 A CA -0.140 51.884 52.037 -0.022 0.000 0.774 606 A CB 0.133 19.121 19.000 -0.021 0.000 1.015 606 A HN 0.905 nan 8.150 nan 0.000 0.498 607 R N 0.654 121.143 120.500 -0.018 0.000 4.219 607 R HA 0.034 4.364 4.340 -0.015 0.000 0.203 607 R C -0.042 176.250 176.300 -0.015 0.000 2.173 607 R CA 0.740 56.831 56.100 -0.016 0.000 1.776 607 R CB -0.500 29.790 30.300 -0.015 0.000 1.150 607 R HN 0.792 nan 8.270 nan 0.000 0.637 608 Q N -1.665 118.123 119.800 -0.019 0.000 1.338 608 Q HA 0.024 4.355 4.340 -0.015 0.000 0.125 608 Q C -1.127 174.859 176.000 -0.024 0.000 0.705 608 Q CA -0.078 55.713 55.803 -0.020 0.000 0.630 608 Q CB -0.055 28.674 28.738 -0.015 0.000 1.106 608 Q HN 0.449 nan 8.270 nan 0.000 0.350 609 A N 0.696 123.500 122.820 -0.028 0.000 2.454 609 A HA 0.651 4.962 4.320 -0.015 0.000 0.260 609 A C 0.963 178.524 177.584 -0.037 0.000 1.106 609 A CA 0.694 52.713 52.037 -0.030 0.000 0.780 609 A CB 0.318 19.300 19.000 -0.031 0.000 1.044 609 A HN 0.303 nan 8.150 nan 0.000 0.498 610 G N 0.431 109.211 108.800 -0.034 0.000 2.597 610 G HA2 0.236 4.187 3.960 -0.015 0.000 0.283 610 G HA3 0.236 4.187 3.960 -0.015 0.000 0.283 610 G C 0.620 175.491 174.900 -0.048 0.000 1.319 610 G CA -0.336 44.742 45.100 -0.037 0.000 1.054 610 G HN 0.753 nan 8.290 nan 0.000 0.583 611 L N 0.956 122.150 121.223 -0.048 0.000 2.612 611 L HA 0.142 4.473 4.340 -0.015 0.000 0.230 611 L C 2.882 179.720 176.870 -0.053 0.000 1.140 611 L CA 0.435 55.240 54.840 -0.058 0.000 0.896 611 L CB -0.474 41.553 42.059 -0.053 0.000 1.065 611 L HN 0.658 nan 8.230 nan 0.000 0.447 612 A N 0.747 123.540 122.820 -0.045 0.000 1.883 612 A HA -0.279 4.032 4.320 -0.015 0.000 0.222 612 A C 1.973 179.528 177.584 -0.048 0.000 1.339 612 A CA 2.026 54.038 52.037 -0.042 0.000 0.692 612 A CB -0.421 18.557 19.000 -0.036 0.000 0.845 612 A HN 0.431 nan 8.150 nan 0.000 0.467 613 E N -0.260 119.910 120.200 -0.050 0.000 2.505 613 E HA 0.129 4.470 4.350 -0.015 0.000 0.197 613 E C -0.296 176.266 176.600 -0.064 0.000 1.111 613 E CA 0.166 56.534 56.400 -0.053 0.000 0.887 613 E CB -0.361 29.310 29.700 -0.048 0.000 0.913 613 E HN 0.594 nan 8.360 nan 0.000 0.517 614 L N 0.934 122.115 121.223 -0.070 0.000 2.329 614 L HA 0.241 4.571 4.340 -0.015 0.000 0.279 614 L C 0.848 177.661 176.870 -0.094 0.000 1.014 614 L CA -0.784 54.006 54.840 -0.084 0.000 0.814 614 L CB 1.644 43.651 42.059 -0.088 0.000 1.257 614 L HN -0.104 nan 8.230 nan 0.000 0.424 615 T N -1.082 113.402 114.554 -0.116 0.000 2.788 615 T HA 0.248 4.588 4.350 -0.015 0.000 0.287 615 T C -1.952 172.655 174.700 -0.154 0.000 1.007 615 T CA -1.443 60.573 62.100 -0.141 0.000 1.005 615 T CB 1.297 70.056 68.868 -0.182 0.000 1.012 615 T HN 0.330 nan 8.240 nan 0.000 0.530 616 P HA 0.060 nan 4.420 nan 0.000 0.217 616 P C 1.671 178.840 177.300 -0.219 0.000 1.150 616 P CA 0.786 63.797 63.100 -0.147 0.000 0.832 616 P CB -0.097 31.523 31.700 -0.132 0.000 0.787 617 I N -0.150 120.186 120.570 -0.391 0.000 2.163 617 I HA -0.266 3.894 4.170 -0.015 0.000 0.243 617 I C 1.892 177.750 176.117 -0.431 0.000 1.085 617 I CA 1.602 62.466 61.300 -0.727 0.000 1.347 617 I CB -0.846 36.538 38.000 -1.026 0.000 1.044 617 I HN -0.037 nan 8.210 nan 0.000 0.408 618 D N 1.016 121.244 120.400 -0.286 0.000 2.133 618 D HA -0.195 4.435 4.640 -0.015 0.000 0.192 618 D C 2.326 178.565 176.300 -0.102 0.000 1.001 618 D CA 1.474 55.374 54.000 -0.167 0.000 0.844 618 D CB -0.325 40.396 40.800 -0.132 0.000 0.944 618 D HN 0.338 nan 8.370 nan 0.000 0.447 619 L N 0.943 122.112 121.223 -0.090 0.000 2.005 619 L HA -0.138 4.193 4.340 -0.015 0.000 0.207 619 L C 2.488 179.377 176.870 0.031 0.000 1.072 619 L CA 0.987 55.812 54.840 -0.026 0.000 0.744 619 L CB -0.492 41.556 42.059 -0.018 0.000 0.895 619 L HN -0.076 nan 8.230 nan 0.000 0.433 620 E N 0.126 120.350 120.200 0.040 0.000 2.130 620 E HA -0.191 4.149 4.350 -0.015 0.000 0.196 620 E C 2.325 179.028 176.600 0.170 0.000 0.998 620 E CA 1.220 57.712 56.400 0.153 0.000 0.806 620 E CB -0.335 29.533 29.700 0.279 0.000 0.738 620 E HN 0.330 nan 8.360 nan 0.000 0.459 621 V N 1.283 121.263 119.914 0.109 0.000 2.379 621 V HA -0.195 3.915 4.120 -0.015 0.000 0.245 621 V C 2.487 178.627 176.094 0.077 0.000 1.044 621 V CA 1.122 63.484 62.300 0.104 0.000 1.036 621 V CB -0.397 31.450 31.823 0.040 0.000 0.664 621 V HN 0.198 nan 8.190 nan 0.000 0.453 622 L N -0.009 121.259 121.223 0.075 0.000 2.141 622 L HA -0.107 4.224 4.340 -0.015 0.000 0.209 622 L C 2.577 179.544 176.870 0.162 0.000 1.094 622 L CA 1.408 56.330 54.840 0.138 0.000 0.763 622 L CB -0.587 41.553 42.059 0.136 0.000 0.908 622 L HN 0.370 nan 8.230 nan 0.000 0.437 623 A N -1.332 121.570 122.820 0.137 0.000 2.016 623 A HA -0.113 4.197 4.320 -0.015 0.000 0.217 623 A C 0.593 178.238 177.584 0.102 0.000 1.162 623 A CA 1.086 53.202 52.037 0.131 0.000 0.662 623 A CB -0.024 19.065 19.000 0.148 0.000 0.812 623 A HN 0.359 nan 8.150 nan 0.000 0.450 624 D N -2.310 118.150 120.400 0.101 0.000 2.411 624 D HA 0.321 4.952 4.640 -0.015 0.000 0.239 624 D C -2.572 173.768 176.300 0.066 0.000 1.307 624 D CA -1.492 52.564 54.000 0.092 0.000 0.930 624 D CB 1.100 41.976 40.800 0.127 0.000 1.395 624 D HN -0.118 nan 8.370 nan 0.000 0.536 625 P HA -0.062 nan 4.420 nan 0.000 0.226 625 P C 1.196 178.502 177.300 0.009 0.000 1.146 625 P CA 0.494 63.601 63.100 0.010 0.000 0.773 625 P CB 0.263 31.948 31.700 -0.026 0.000 0.772 626 N N -0.249 118.474 118.700 0.038 0.000 2.309 626 N HA -0.100 4.631 4.740 -0.015 0.000 0.182 626 N C 1.299 176.737 175.510 -0.120 0.000 1.018 626 N CA 0.899 53.991 53.050 0.069 0.000 0.876 626 N CB -0.038 38.574 38.487 0.208 0.000 0.972 626 N HN 0.192 nan 8.380 nan 0.000 0.434 627 K N 0.258 120.489 120.400 -0.281 0.000 2.442 627 K HA -0.097 4.214 4.320 -0.015 0.000 0.198 627 K C 1.445 177.748 176.600 -0.494 0.000 1.044 627 K CA 0.317 56.126 56.287 -0.797 0.000 0.948 627 K CB 0.099 32.378 32.500 -0.368 0.000 0.762 627 K HN 0.056 nan 8.250 nan 0.000 0.472 628 L N 0.714 121.847 121.223 -0.151 0.000 2.418 628 L HA -0.048 4.283 4.340 -0.015 0.000 0.218 628 L C 1.241 178.104 176.870 -0.012 0.000 1.125 628 L CA 1.587 56.426 54.840 -0.002 0.000 0.835 628 L CB 0.074 42.164 42.059 0.051 0.000 0.953 628 L HN 0.032 nan 8.230 nan 0.000 0.454 629 Q N -2.132 117.644 119.800 -0.040 0.000 2.204 629 Q HA 0.072 4.403 4.340 -0.015 0.000 0.209 629 Q C -0.184 175.890 176.000 0.123 0.000 0.861 629 Q CA 0.078 55.917 55.803 0.060 0.000 0.971 629 Q CB 0.403 29.202 28.738 0.101 0.000 1.095 629 Q HN 0.650 nan 8.270 nan 0.000 0.486 630 Y N -4.788 115.491 120.300 -0.036 0.000 2.786 630 Y HA 0.356 4.897 4.550 -0.016 0.000 0.307 630 Y C 0.720 176.499 175.900 -0.203 0.000 0.927 630 Y CA -0.403 57.641 58.100 -0.093 0.000 1.089 630 Y CB -0.025 38.378 38.460 -0.094 0.000 1.441 630 Y HN -0.123 nan 8.280 nan 0.000 0.584 631 K N -0.846 119.276 120.400 -0.462 0.000 2.493 631 K HA 0.226 4.537 4.320 -0.015 0.000 0.201 631 K C -0.418 175.794 176.600 -0.647 0.000 1.355 631 K CA 0.161 56.042 56.287 -0.675 0.000 0.953 631 K CB 0.976 32.724 32.500 -1.254 0.000 1.316 631 K HN 0.125 nan 8.250 nan 0.000 0.522 632 W N 0.437 121.604 121.300 -0.222 0.000 3.017 632 W HA 0.404 5.054 4.660 -0.016 0.000 0.341 632 W C -0.229 176.224 176.519 -0.110 0.000 1.180 632 W CA -0.620 56.616 57.345 -0.183 0.000 1.097 632 W CB 0.750 30.112 29.460 -0.163 0.000 1.468 632 W HN -0.157 nan 8.180 nan 0.000 0.584 633 T N -1.242 113.423 114.554 0.184 0.000 2.906 633 T HA 0.158 4.499 4.350 -0.015 0.000 0.295 633 T C 0.809 175.582 174.700 0.122 0.000 1.075 633 T CA -0.305 61.885 62.100 0.151 0.000 1.005 633 T CB 1.772 70.727 68.868 0.146 0.000 1.136 633 T HN 0.570 nan 8.240 nan 0.000 0.498 634 E N 1.855 122.124 120.200 0.115 0.000 2.233 634 E HA -0.289 4.052 4.350 -0.015 0.000 0.210 634 E C 1.875 178.397 176.600 -0.130 0.000 1.046 634 E CA 2.159 58.508 56.400 -0.085 0.000 0.844 634 E CB -0.502 28.997 29.700 -0.334 0.000 0.741 634 E HN 0.744 nan 8.360 nan 0.000 0.465 635 A N 0.963 123.754 122.820 -0.047 0.000 1.969 635 A HA -0.163 4.147 4.320 -0.015 0.000 0.218 635 A C 1.660 179.217 177.584 -0.044 0.000 1.169 635 A CA 1.555 53.560 52.037 -0.053 0.000 0.635 635 A CB -0.226 18.756 19.000 -0.029 0.000 0.810 635 A HN 0.369 nan 8.150 nan 0.000 0.445 636 D N -0.503 119.883 120.400 -0.024 0.000 2.363 636 D HA 0.086 4.717 4.640 -0.015 0.000 0.226 636 D C 0.063 176.244 176.300 -0.199 0.000 1.020 636 D CA 0.444 54.377 54.000 -0.113 0.000 0.892 636 D CB 0.129 40.824 40.800 -0.175 0.000 0.900 636 D HN 0.203 nan 8.370 nan 0.000 0.531 637 V N 1.063 120.909 119.914 -0.113 0.000 2.513 637 V HA 0.134 4.245 4.120 -0.015 0.000 0.299 637 V C 0.468 176.526 176.094 -0.060 0.000 1.035 637 V CA -0.884 61.361 62.300 -0.093 0.000 0.889 637 V CB 1.985 33.828 31.823 0.033 0.000 0.988 637 V HN -0.076 nan 8.190 nan 0.000 0.440 638 S N 3.092 118.748 115.700 -0.073 0.000 2.558 638 S HA 0.129 4.590 4.470 -0.015 0.000 0.293 638 S C 1.512 176.106 174.600 -0.010 0.000 1.292 638 S CA 0.221 58.389 58.200 -0.053 0.000 1.063 638 S CB 1.062 64.225 63.200 -0.062 0.000 0.831 638 S HN 1.044 nan 8.310 nan 0.000 0.499 639 A N 4.344 127.152 122.820 -0.020 0.000 1.873 639 A HA -0.239 4.072 4.320 -0.015 0.000 0.218 639 A C 2.092 179.693 177.584 0.029 0.000 1.193 639 A CA 1.922 53.959 52.037 -0.000 0.000 0.629 639 A CB -0.871 18.114 19.000 -0.025 0.000 0.826 639 A HN 0.938 nan 8.150 nan 0.000 0.447 640 N N 0.208 118.911 118.700 0.005 0.000 2.272 640 N HA -0.149 4.582 4.740 -0.015 0.000 0.185 640 N C 1.354 176.874 175.510 0.016 0.000 1.014 640 N CA 1.776 54.830 53.050 0.006 0.000 0.870 640 N CB -0.450 38.030 38.487 -0.011 0.000 0.975 640 N HN 0.425 nan 8.380 nan 0.000 0.433 641 I N 1.017 121.596 120.570 0.016 0.000 2.400 641 I HA -0.104 4.057 4.170 -0.015 0.000 0.248 641 I C 2.480 178.619 176.117 0.036 0.000 1.109 641 I CA 0.695 62.001 61.300 0.011 0.000 1.425 641 I CB -1.494 36.495 38.000 -0.018 0.000 1.094 641 I HN 0.258 nan 8.210 nan 0.000 0.425 642 H N 2.030 121.089 119.070 -0.019 0.000 2.353 642 H HA -0.192 4.354 4.556 -0.016 0.000 0.298 642 H C 1.838 177.169 175.328 0.005 0.000 1.103 642 H CA 1.992 58.036 56.048 -0.006 0.000 1.293 642 H CB 0.295 30.049 29.762 -0.013 0.000 1.372 642 H HN 0.417 nan 8.280 nan 0.000 0.501 643 E N -0.202 120.056 120.200 0.096 0.000 2.171 643 E HA -0.140 4.201 4.350 -0.015 0.000 0.197 643 E C 2.433 179.047 176.600 0.024 0.000 0.997 643 E CA 1.098 57.525 56.400 0.043 0.000 0.810 643 E CB 0.048 29.765 29.700 0.029 0.000 0.738 643 E HN 0.253 nan 8.360 nan 0.000 0.467 644 V N 1.165 121.098 119.914 0.032 0.000 2.343 644 V HA -0.245 3.866 4.120 -0.015 0.000 0.247 644 V C 2.112 178.231 176.094 0.041 0.000 1.051 644 V CA 1.566 63.909 62.300 0.072 0.000 1.036 644 V CB -0.257 31.621 31.823 0.092 0.000 0.654 644 V HN 0.268 nan 8.190 nan 0.000 0.451 645 L N -1.766 119.431 121.223 -0.044 0.000 2.298 645 L HA 0.163 4.493 4.340 -0.015 0.000 0.209 645 L C 0.854 177.664 176.870 -0.100 0.000 1.084 645 L CA 0.505 55.293 54.840 -0.087 0.000 0.816 645 L CB -0.096 41.876 42.059 -0.146 0.000 0.967 645 L HN 0.262 nan 8.230 nan 0.000 0.460 646 M N -1.348 118.169 119.600 -0.138 0.000 2.716 646 M HA 0.436 4.906 4.480 -0.015 0.000 0.307 646 M C -0.966 175.374 176.300 0.067 0.000 1.223 646 M CA -0.348 54.922 55.300 -0.050 0.000 0.871 646 M CB 2.011 34.544 32.600 -0.111 0.000 1.739 646 M HN -0.089 nan 8.290 nan 0.000 0.475 647 H N -0.459 118.628 119.070 0.027 0.000 2.894 647 H HA 0.705 5.252 4.556 -0.015 0.000 0.367 647 H C -1.426 173.940 175.328 0.064 0.000 1.144 647 H CA -0.228 55.846 56.048 0.043 0.000 1.180 647 H CB 2.112 31.888 29.762 0.024 0.000 1.758 647 H HN 0.827 nan 8.280 nan 0.000 0.541 648 G N 1.850 110.705 108.800 0.092 0.000 2.644 648 G HA2 0.531 4.482 3.960 -0.015 0.000 0.307 648 G HA3 0.531 4.482 3.960 -0.015 0.000 0.307 648 G C -0.856 174.177 174.900 0.223 0.000 1.250 648 G CA -0.553 44.652 45.100 0.175 0.000 0.996 648 G HN 0.422 nan 8.290 nan 0.000 0.489 649 V N 0.237 120.243 119.914 0.153 0.000 2.837 649 V HA 0.464 4.575 4.120 -0.015 0.000 0.310 649 V C 0.771 176.916 176.094 0.084 0.000 1.059 649 V CA -0.811 61.561 62.300 0.121 0.000 1.004 649 V CB 1.409 33.287 31.823 0.092 0.000 1.045 649 V HN 0.962 nan 8.190 nan 0.000 0.465 650 S N 1.465 117.207 115.700 0.071 0.000 2.546 650 S HA 0.072 4.533 4.470 -0.015 0.000 0.290 650 S C 1.159 175.789 174.600 0.050 0.000 1.290 650 S CA -0.449 57.782 58.200 0.053 0.000 1.069 650 S CB 0.749 63.977 63.200 0.046 0.000 0.846 650 S HN 0.591 nan 8.310 nan 0.000 0.495 651 V N 2.141 122.079 119.914 0.040 0.000 2.469 651 V HA -0.207 3.903 4.120 -0.015 0.000 0.251 651 V C 2.313 178.435 176.094 0.046 0.000 1.064 651 V CA 2.103 64.428 62.300 0.041 0.000 1.066 651 V CB -1.459 30.379 31.823 0.025 0.000 0.667 651 V HN 0.805 nan 8.190 nan 0.000 0.461 652 E N 0.916 121.139 120.200 0.040 0.000 2.012 652 E HA -0.192 4.149 4.350 -0.015 0.000 0.197 652 E C 2.222 178.856 176.600 0.057 0.000 1.007 652 E CA 1.295 57.719 56.400 0.040 0.000 0.816 652 E CB -0.458 29.261 29.700 0.032 0.000 0.762 652 E HN 0.469 nan 8.360 nan 0.000 0.451 653 K N 0.202 120.637 120.400 0.058 0.000 2.074 653 K HA -0.157 4.153 4.320 -0.015 0.000 0.209 653 K C 2.457 179.124 176.600 0.110 0.000 1.048 653 K CA 1.987 58.316 56.287 0.070 0.000 0.926 653 K CB -0.901 31.629 32.500 0.050 0.000 0.713 653 K HN 0.468 nan 8.250 nan 0.000 0.444 654 T N -1.028 113.591 114.554 0.107 0.000 2.770 654 T HA -0.130 4.211 4.350 -0.015 0.000 0.263 654 T C 1.960 176.779 174.700 0.200 0.000 1.039 654 T CA 1.182 63.382 62.100 0.167 0.000 1.142 654 T CB -0.170 68.774 68.868 0.126 0.000 0.868 654 T HN 0.346 nan 8.240 nan 0.000 0.435 655 E N 1.302 121.571 120.200 0.114 0.000 2.097 655 E HA -0.293 4.048 4.350 -0.015 0.000 0.196 655 E C 2.544 179.188 176.600 0.073 0.000 1.000 655 E CA 1.244 57.688 56.400 0.074 0.000 0.804 655 E CB -0.224 29.501 29.700 0.041 0.000 0.740 655 E HN 0.569 nan 8.360 nan 0.000 0.454 656 R N -0.547 120.009 120.500 0.093 0.000 2.081 656 R HA -0.171 4.159 4.340 -0.015 0.000 0.235 656 R C 2.369 178.738 176.300 0.115 0.000 1.131 656 R CA 1.532 57.681 56.100 0.082 0.000 0.960 656 R CB -0.460 29.889 30.300 0.082 0.000 0.856 656 R HN 0.269 nan 8.270 nan 0.000 0.436 657 F N 1.085 121.063 119.950 0.047 0.000 2.046 657 F HA -0.227 4.290 4.527 -0.016 0.000 0.297 657 F C 1.874 177.723 175.800 0.082 0.000 1.123 657 F CA 1.408 59.463 58.000 0.091 0.000 1.199 657 F CB -0.654 38.410 39.000 0.106 0.000 0.972 657 F HN 0.037 nan 8.300 nan 0.000 0.474 658 L N 1.006 122.180 121.223 -0.081 0.000 2.081 658 L HA -0.208 4.123 4.340 -0.015 0.000 0.212 658 L C 2.640 179.335 176.870 -0.291 0.000 1.080 658 L CA 1.949 56.638 54.840 -0.252 0.000 0.754 658 L CB -0.896 41.132 42.059 -0.053 0.000 0.893 658 L HN 0.207 nan 8.230 nan 0.000 0.433 659 R N -1.032 119.372 120.500 -0.160 0.000 2.152 659 R HA -0.126 4.205 4.340 -0.015 0.000 0.232 659 R C 2.155 178.360 176.300 -0.158 0.000 1.117 659 R CA 1.374 57.390 56.100 -0.139 0.000 0.981 659 R CB -0.130 30.131 30.300 -0.065 0.000 0.870 659 R HN 0.584 nan 8.270 nan 0.000 0.451 660 S N -1.793 113.814 115.700 -0.155 0.000 2.575 660 S HA 0.086 4.547 4.470 -0.015 0.000 0.215 660 S C 1.466 175.989 174.600 -0.128 0.000 0.966 660 S CA -0.004 58.165 58.200 -0.051 0.000 0.911 660 S CB 0.756 64.016 63.200 0.099 0.000 0.780 660 S HN 0.090 nan 8.310 nan 0.000 0.514 661 V N 1.404 121.052 119.914 -0.443 0.000 2.490 661 V HA 0.269 4.380 4.120 -0.015 0.000 0.238 661 V C 1.457 177.047 176.094 -0.839 0.000 1.056 661 V CA 0.722 62.562 62.300 -0.766 0.000 1.075 661 V CB -0.359 30.821 31.823 -1.071 0.000 0.746 661 V HN 0.444 nan 8.190 nan 0.000 0.479 662 M N 1.464 120.588 119.600 -0.793 0.000 2.219 662 M HA 0.070 4.540 4.480 -0.015 0.000 0.307 662 M C -1.037 174.889 176.300 -0.623 0.000 1.116 662 M CA -0.609 54.148 55.300 -0.906 0.000 1.181 662 M CB 0.197 32.444 32.600 -0.589 0.000 1.410 662 M HN 0.079 nan 8.290 nan 0.000 0.454 663 P HA 0.024 nan 4.420 nan 0.000 0.215 663 P C 0.151 177.342 177.300 -0.182 0.000 1.160 663 P CA 1.351 64.283 63.100 -0.279 0.000 0.869 663 P CB 0.567 32.166 31.700 -0.169 0.000 0.782 664 R N 0.000 120.405 120.500 -0.159 0.000 2.786 664 R HA 0.000 4.331 4.340 -0.015 0.000 0.208 664 R CA 0.000 56.038 56.100 -0.104 0.000 0.921 664 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535