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 1adi_1_B DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.981 3.960 0.035 0.000 0.244 1 G C 0.000 174.932 174.900 0.053 0.000 0.946 1 G CA 0.000 45.132 45.100 0.053 0.000 0.502 2 N N 0.875 119.646 118.700 0.118 0.000 2.188 2 N HA -0.220 nan 4.740 nan 0.000 0.184 2 N C -0.628 175.040 175.510 0.263 0.000 1.018 2 N CA 1.680 54.844 53.050 0.191 0.000 0.858 2 N CB 0.458 39.063 38.487 0.198 0.000 0.989 2 N HN 0.084 8.575 8.380 0.116 -0.042 0.426 3 N N -1.195 117.635 118.700 0.217 0.000 2.469 3 N HA 0.421 nan 4.740 nan 0.000 0.253 3 N C -2.197 173.441 175.510 0.214 0.000 0.970 3 N CA -0.494 52.716 53.050 0.267 0.000 0.940 3 N CB 0.949 39.651 38.487 0.358 0.000 1.128 3 N HN 0.035 9.034 8.380 0.184 -0.508 0.503 4 V N 4.809 124.810 119.914 0.146 0.000 2.513 4 V HA 0.680 nan 4.120 nan 0.000 0.299 4 V C -1.648 174.559 176.094 0.188 0.000 1.035 4 V CA -1.121 61.185 62.300 0.011 0.000 0.889 4 V CB 2.898 34.426 31.823 -0.492 0.000 0.988 4 V HN 0.921 9.219 8.190 0.181 0.000 0.440 5 V N 6.400 126.421 119.914 0.179 0.000 2.540 5 V HA 0.717 nan 4.120 nan 0.000 0.302 5 V C -1.607 174.582 176.094 0.158 0.000 1.035 5 V CA -1.233 61.193 62.300 0.211 0.000 0.873 5 V CB 2.155 34.033 31.823 0.092 0.000 0.992 5 V HN -0.048 8.233 8.190 0.152 0.000 0.428 6 V N 6.931 126.957 119.914 0.187 0.000 2.495 6 V HA 0.980 nan 4.120 nan 0.000 0.298 6 V C -1.901 174.292 176.094 0.165 0.000 1.031 6 V CA -1.248 61.142 62.300 0.150 0.000 0.871 6 V CB 1.568 33.467 31.823 0.126 0.000 0.988 6 V HN 0.751 9.093 8.190 0.253 0.000 0.432 7 L N 1.657 122.957 121.223 0.129 0.000 2.794 7 L HA 0.555 nan 4.340 nan 0.000 0.261 7 L C -1.331 175.587 176.870 0.081 0.000 0.989 7 L CA -0.901 54.006 54.840 0.112 0.000 0.900 7 L CB 2.202 44.339 42.059 0.129 0.000 1.473 7 L HN 0.129 8.429 8.230 0.117 0.000 0.414 8 G N -1.864 106.969 108.800 0.055 0.000 2.364 8 G HA2 -0.014 nan 3.960 nan 0.000 0.267 8 G HA3 -0.014 nan 3.960 nan 0.000 0.267 8 G C 0.210 175.111 174.900 0.001 0.000 1.233 8 G CA 0.012 45.127 45.100 0.025 0.000 0.885 8 G HN 0.292 8.615 8.290 0.056 0.000 0.490 9 T N 0.609 115.158 114.554 -0.007 0.000 3.144 9 T HA 0.127 nan 4.350 nan 0.000 0.249 9 T C 0.038 174.634 174.700 -0.174 0.000 1.089 9 T CA 0.419 62.499 62.100 -0.032 0.000 0.989 9 T CB -0.722 68.186 68.868 0.068 0.000 0.992 9 T HN 0.072 8.313 8.240 0.002 0.000 0.540 10 Q N -0.396 119.267 119.800 -0.228 0.000 3.065 10 Q HA 0.295 nan 4.340 nan 0.000 0.208 10 Q C -0.458 175.242 176.000 -0.499 0.000 1.163 10 Q CA -0.108 55.406 55.803 -0.482 0.000 0.338 10 Q CB 2.253 30.806 28.738 -0.309 0.000 5.725 10 Q HN -0.240 8.180 8.270 -0.137 -0.233 0.301 11 W N -2.355 118.871 121.300 -0.123 0.000 2.599 11 W HA 0.270 nan 4.660 nan 0.000 0.396 11 W C -0.534 175.920 176.519 -0.108 0.000 0.944 11 W CA -0.704 56.560 57.345 -0.135 0.000 2.042 11 W CB 0.916 30.239 29.460 -0.228 0.000 1.184 11 W HN 0.376 8.641 8.180 0.142 0.000 0.604 12 G N -1.492 107.363 108.800 0.093 0.000 2.479 12 G HA2 -0.263 nan 3.960 nan 0.000 0.686 12 G HA3 -0.263 nan 3.960 nan 0.000 0.686 12 G C -2.269 172.645 174.900 0.023 0.000 1.295 12 G CA -0.767 44.363 45.100 0.050 0.000 0.922 12 G HN -0.566 7.941 8.290 0.042 -0.192 0.582 13 D N -3.378 117.029 120.400 0.011 0.000 2.811 13 D HA -0.441 nan 4.640 nan 0.000 0.231 13 D C 0.479 176.763 176.300 -0.027 0.000 1.157 13 D CA 1.480 55.477 54.000 -0.005 0.000 0.716 13 D CB -0.767 40.028 40.800 -0.009 0.000 1.077 13 D HN 0.385 8.766 8.370 0.017 0.000 0.428 14 E N -1.132 119.054 120.200 -0.023 0.000 2.482 14 E HA -0.134 nan 4.350 nan 0.000 0.196 14 E C 0.701 177.288 176.600 -0.023 0.000 1.047 14 E CA 0.971 57.347 56.400 -0.041 0.000 0.869 14 E CB -0.382 29.300 29.700 -0.029 0.000 0.836 14 E HN 0.318 8.641 8.360 -0.008 0.032 0.520 15 G N -1.983 106.812 108.800 -0.010 0.000 2.255 15 G HA2 -0.307 nan 3.960 nan 0.000 0.239 15 G HA3 -0.307 nan 3.960 nan 0.000 0.239 15 G C 0.498 175.403 174.900 0.009 0.000 1.083 15 G CA 0.154 45.254 45.100 -0.001 0.000 0.826 15 G HN 0.068 8.281 8.290 -0.010 0.071 0.493 16 K N 0.611 121.019 120.400 0.014 0.000 2.097 16 K HA -0.252 nan 4.320 nan 0.000 0.206 16 K C 1.348 177.968 176.600 0.033 0.000 1.049 16 K CA 2.092 58.403 56.287 0.039 0.000 0.933 16 K CB -0.631 31.904 32.500 0.058 0.000 0.717 16 K HN -0.033 8.223 8.250 0.009 0.000 0.442 17 G N -0.959 107.815 108.800 -0.043 0.000 2.656 17 G HA2 -0.391 nan 3.960 nan 0.000 0.223 17 G HA3 -0.391 nan 3.960 nan 0.000 0.223 17 G C 1.091 175.977 174.900 -0.024 0.000 1.130 17 G CA 2.402 47.405 45.100 -0.163 0.000 0.758 17 G HN 0.277 8.531 8.290 -0.059 0.000 0.608 18 K N 0.851 121.257 120.400 0.009 0.000 2.211 18 K HA -0.051 nan 4.320 nan 0.000 0.201 18 K C 2.033 178.672 176.600 0.064 0.000 1.052 18 K CA 1.487 57.800 56.287 0.043 0.000 0.973 18 K CB 0.131 32.648 32.500 0.029 0.000 0.766 18 K HN -0.569 7.629 8.250 -0.001 0.052 0.466 19 I N 0.144 120.752 120.570 0.063 0.000 2.315 19 I HA -0.421 nan 4.170 nan 0.000 0.248 19 I C 1.643 177.809 176.117 0.082 0.000 1.117 19 I CA 3.653 64.991 61.300 0.063 0.000 1.404 19 I CB -0.335 37.700 38.000 0.058 0.000 1.071 19 I HN -0.570 7.674 8.210 0.057 0.000 0.419 20 V N 0.839 120.820 119.914 0.113 0.000 2.261 20 V HA -0.526 nan 4.120 nan 0.000 0.246 20 V C 2.002 178.176 176.094 0.133 0.000 1.047 20 V CA 5.322 67.706 62.300 0.140 0.000 1.015 20 V CB -0.910 31.039 31.823 0.209 0.000 0.642 20 V HN -0.035 8.218 8.190 0.114 0.006 0.446 21 D N -1.587 118.907 120.400 0.156 0.000 2.310 21 D HA -0.168 nan 4.640 nan 0.000 0.212 21 D C 1.295 177.650 176.300 0.091 0.000 0.965 21 D CA 2.874 56.948 54.000 0.124 0.000 0.879 21 D CB -0.529 40.363 40.800 0.153 0.000 0.921 21 D HN -0.516 7.967 8.370 0.189 0.000 0.510 22 L N -1.043 120.233 121.223 0.088 0.000 2.071 22 L HA -0.117 nan 4.340 nan 0.000 0.201 22 L C 1.362 178.290 176.870 0.097 0.000 1.076 22 L CA 2.114 56.999 54.840 0.076 0.000 0.755 22 L CB 0.069 42.164 42.059 0.061 0.000 0.915 22 L HN -0.698 7.424 8.230 0.092 0.163 0.445 23 L N -2.832 118.460 121.223 0.115 0.000 2.265 23 L HA -0.419 nan 4.340 nan 0.000 0.215 23 L C 2.478 179.483 176.870 0.225 0.000 1.117 23 L CA 3.377 58.334 54.840 0.195 0.000 0.782 23 L CB -0.682 41.470 42.059 0.155 0.000 0.914 23 L HN 0.291 8.578 8.230 0.095 0.000 0.441 24 T N 1.215 115.855 114.554 0.143 0.000 2.778 24 T HA -0.349 nan 4.350 nan 0.000 0.269 24 T C 1.752 176.495 174.700 0.073 0.000 1.050 24 T CA 3.933 66.094 62.100 0.102 0.000 1.137 24 T CB -0.844 68.060 68.868 0.059 0.000 0.860 24 T HN -0.124 8.160 8.240 0.121 0.029 0.468 25 E N 0.016 120.260 120.200 0.074 0.000 2.153 25 E HA -0.215 nan 4.350 nan 0.000 0.194 25 E C 1.505 178.119 176.600 0.022 0.000 0.988 25 E CA 2.265 58.690 56.400 0.040 0.000 0.811 25 E CB 0.039 29.766 29.700 0.046 0.000 0.746 25 E HN -0.468 7.811 8.360 0.090 0.136 0.466 26 R N -3.827 116.713 120.500 0.067 0.000 2.334 26 R HA 0.044 nan 4.340 nan 0.000 0.212 26 R C -0.391 175.880 176.300 -0.049 0.000 0.897 26 R CA -0.348 55.765 56.100 0.022 0.000 1.056 26 R CB 0.968 31.355 30.300 0.145 0.000 1.046 26 R HN -0.438 7.806 8.270 0.137 0.108 0.513 27 A N -0.364 122.458 122.820 0.002 0.000 2.401 27 A HA -0.032 nan 4.320 nan 0.000 0.259 27 A C -0.812 176.724 177.584 -0.079 0.000 1.103 27 A CA 0.238 52.279 52.037 0.007 0.000 0.789 27 A CB 0.449 19.549 19.000 0.168 0.000 1.035 27 A HN -0.713 7.327 8.150 0.077 0.156 0.491 28 K N 3.128 123.459 120.400 -0.115 0.000 2.128 28 K HA 0.002 nan 4.320 nan 0.000 0.202 28 K C -0.017 176.294 176.600 -0.482 0.000 1.050 28 K CA 1.361 57.469 56.287 -0.297 0.000 0.966 28 K CB 1.655 33.986 32.500 -0.280 0.000 0.759 28 K HN 0.110 8.346 8.250 -0.023 0.000 0.454 29 Y N -5.069 115.213 120.300 -0.031 0.000 2.446 29 Y HA 0.481 nan 4.550 nan 0.000 0.345 29 Y C -1.569 174.304 175.900 -0.045 0.000 0.984 29 Y CA -0.696 57.378 58.100 -0.043 0.000 1.058 29 Y CB 3.382 41.801 38.460 -0.067 0.000 1.220 29 Y HN -0.646 7.675 8.280 0.069 0.000 0.455 30 V N 2.817 122.790 119.914 0.098 0.000 2.531 30 V HA 0.675 nan 4.120 nan 0.000 0.301 30 V C -1.973 174.155 176.094 0.058 0.000 1.034 30 V CA -0.778 61.554 62.300 0.055 0.000 0.865 30 V CB 2.417 34.262 31.823 0.038 0.000 0.995 30 V HN 0.691 8.946 8.190 0.107 0.000 0.424 31 V N 7.792 127.730 119.914 0.040 0.000 2.531 31 V HA 0.680 nan 4.120 nan 0.000 0.301 31 V C -1.300 174.948 176.094 0.257 0.000 1.034 31 V CA -1.609 60.766 62.300 0.125 0.000 0.865 31 V CB 2.562 34.416 31.823 0.052 0.000 0.995 31 V HN 1.113 9.308 8.190 0.009 0.000 0.424 32 R N 5.951 126.577 120.500 0.211 0.000 2.312 32 R HA 0.570 nan 4.340 nan 0.000 0.311 32 R C -0.478 175.964 176.300 0.237 0.000 1.004 32 R CA -2.059 54.141 56.100 0.167 0.000 0.902 32 R CB 1.339 31.689 30.300 0.083 0.000 1.073 32 R HN 0.555 8.925 8.270 0.168 0.000 0.457 33 Y N -0.416 119.984 120.300 0.167 0.000 2.563 33 Y HA 0.176 nan 4.550 nan 0.000 0.250 33 Y C -2.260 173.712 175.900 0.119 0.000 1.126 33 Y CA -2.063 56.124 58.100 0.145 0.000 1.231 33 Y CB 1.530 40.072 38.460 0.137 0.000 1.288 33 Y HN 0.248 8.373 8.280 -0.258 0.000 0.537 34 Q N -4.560 115.069 119.800 -0.285 0.000 2.578 34 Q HA 0.142 nan 4.340 nan 0.000 0.284 34 Q C -1.012 174.955 176.000 -0.054 0.000 0.960 34 Q CA -0.568 55.167 55.803 -0.113 0.000 0.809 34 Q CB 2.512 31.141 28.738 -0.182 0.000 1.462 34 Q HN -0.724 7.321 8.270 -0.374 0.000 0.392 35 G N 1.313 110.171 108.800 0.096 0.000 2.615 35 G HA2 -0.404 nan 3.960 nan 0.000 0.218 35 G HA3 -0.404 nan 3.960 nan 0.000 0.218 35 G C -2.140 172.808 174.900 0.080 0.000 1.339 35 G CA -0.356 44.800 45.100 0.094 0.000 0.884 35 G HN -0.250 8.177 8.290 0.229 0.000 0.559 36 G N -0.702 108.126 108.800 0.047 0.000 3.310 36 G HA2 0.359 nan 3.960 nan 0.000 0.174 36 G HA3 0.359 nan 3.960 nan 0.000 0.174 36 G C -1.914 173.065 174.900 0.131 0.000 1.097 36 G CA 0.156 45.309 45.100 0.088 0.000 0.795 36 G HN -0.495 8.016 8.290 0.024 -0.206 0.670 37 H N 0.475 119.536 119.070 -0.015 0.000 2.680 37 H HA 0.228 nan 4.556 nan 0.000 0.224 37 H C -0.904 174.420 175.328 -0.007 0.000 1.866 37 H CA -1.827 54.228 56.048 0.011 0.000 1.302 37 H CB -2.092 27.661 29.762 -0.015 0.000 1.709 37 H HN 0.332 8.912 8.280 0.500 0.000 0.537 38 N N 0.750 119.447 118.700 -0.004 0.000 2.453 38 N HA -0.014 nan 4.740 nan 0.000 0.267 38 N C -1.471 174.095 175.510 0.093 0.000 1.482 38 N CA -0.498 52.543 53.050 -0.015 0.000 0.841 38 N CB 0.155 38.577 38.487 -0.109 0.000 1.408 38 N HN -0.624 7.737 8.380 0.060 0.055 0.490 39 A N -1.562 121.357 122.820 0.166 0.000 1.903 39 A HA 0.064 nan 4.320 nan 0.000 0.213 39 A C 0.260 177.926 177.584 0.137 0.000 1.185 39 A CA 1.070 53.185 52.037 0.130 0.000 0.628 39 A CB 0.870 19.942 19.000 0.119 0.000 0.830 39 A HN -0.709 7.570 8.150 0.214 0.000 0.446 40 G N -1.563 107.338 108.800 0.168 0.000 2.422 40 G HA2 -0.397 nan 3.960 nan 0.000 0.290 40 G HA3 -0.397 nan 3.960 nan 0.000 0.290 40 G C -1.116 173.774 174.900 -0.017 0.000 1.059 40 G CA 0.111 45.226 45.100 0.025 0.000 1.242 40 G HN -0.301 8.149 8.290 0.267 0.000 0.520 41 H N 2.311 121.308 119.070 -0.121 0.000 2.641 41 H HA 0.165 nan 4.556 nan 0.000 0.295 41 H C -1.391 173.884 175.328 -0.089 0.000 1.070 41 H CA -1.299 54.708 56.048 -0.068 0.000 1.257 41 H CB 1.315 31.054 29.762 -0.039 0.000 1.393 41 H HN -0.433 7.836 8.280 -0.018 0.000 0.464 42 T N 8.880 123.359 114.554 -0.125 0.000 2.727 42 T HA 0.098 nan 4.350 nan 0.000 0.298 42 T C -1.151 173.536 174.700 -0.022 0.000 0.942 42 T CA 0.510 62.574 62.100 -0.060 0.000 0.997 42 T CB -0.537 68.296 68.868 -0.058 0.000 0.917 42 T HN 0.433 8.539 8.240 -0.223 0.000 0.487 43 L N 3.584 124.836 121.223 0.048 0.000 2.303 43 L HA 0.508 nan 4.340 nan 0.000 0.256 43 L C -1.849 175.047 176.870 0.043 0.000 1.034 43 L CA -1.297 53.587 54.840 0.073 0.000 0.832 43 L CB 3.387 45.535 42.059 0.147 0.000 1.403 43 L HN -0.370 7.885 8.230 0.043 0.000 0.419 44 V N -0.583 119.356 119.914 0.041 0.000 2.313 44 V HA 0.355 nan 4.120 nan 0.000 0.278 44 V C 0.149 176.259 176.094 0.026 0.000 1.017 44 V CA -1.008 61.310 62.300 0.030 0.000 0.823 44 V CB -0.700 31.140 31.823 0.028 0.000 1.010 44 V HN 0.184 8.404 8.190 0.050 0.000 0.443 45 I N 7.921 128.504 120.570 0.021 0.000 2.281 45 I HA -0.021 nan 4.170 nan 0.000 0.293 45 I C -0.358 175.767 176.117 0.014 0.000 1.085 45 I CA 0.094 61.404 61.300 0.016 0.000 1.257 45 I CB 0.143 38.151 38.000 0.013 0.000 1.430 45 I HN 0.433 8.655 8.210 0.020 0.000 0.489 46 N N 8.234 126.942 118.700 0.013 0.000 2.725 46 N HA -0.252 nan 4.740 nan 0.000 0.251 46 N C -0.220 175.298 175.510 0.012 0.000 1.031 46 N CA 0.383 53.440 53.050 0.011 0.000 0.720 46 N CB -1.810 36.682 38.487 0.009 0.000 0.930 46 N HN 0.750 9.138 8.380 0.014 0.000 0.543 47 G N -4.451 104.358 108.800 0.015 0.000 2.182 47 G HA2 -0.417 nan 3.960 nan 0.000 0.248 47 G HA3 -0.417 nan 3.960 nan 0.000 0.248 47 G C -1.645 173.264 174.900 0.013 0.000 1.042 47 G CA 0.021 45.130 45.100 0.014 0.000 0.775 47 G HN 0.123 8.423 8.290 0.017 0.000 0.501 48 E N -1.003 119.206 120.200 0.014 0.000 2.274 48 E HA 0.174 nan 4.350 nan 0.000 0.269 48 E C -1.642 174.968 176.600 0.015 0.000 0.891 48 E CA -1.509 54.899 56.400 0.014 0.000 0.784 48 E CB 2.159 31.866 29.700 0.012 0.000 1.225 48 E HN -0.190 8.180 8.360 0.016 0.000 0.412 49 K N 5.972 126.381 120.400 0.015 0.000 2.401 49 K HA 0.051 nan 4.320 nan 0.000 0.278 49 K C -0.873 175.735 176.600 0.013 0.000 1.018 49 K CA 0.948 57.244 56.287 0.014 0.000 0.981 49 K CB 0.414 32.922 32.500 0.013 0.000 0.933 49 K HN 0.365 8.623 8.250 0.014 0.000 0.477 50 T N 3.379 117.939 114.554 0.011 0.000 3.483 50 T HA 0.137 nan 4.350 nan 0.000 0.329 50 T C -0.707 173.987 174.700 -0.009 0.000 1.014 50 T CA -0.216 61.888 62.100 0.007 0.000 1.056 50 T CB 1.841 70.717 68.868 0.012 0.000 1.090 50 T HN 0.378 8.626 8.240 0.014 0.000 0.460 51 V N 2.632 122.520 119.914 -0.043 0.000 2.356 51 V HA 0.476 nan 4.120 nan 0.000 0.258 51 V C -1.014 174.955 176.094 -0.207 0.000 1.065 51 V CA -1.524 60.687 62.300 -0.149 0.000 0.935 51 V CB -0.853 30.809 31.823 -0.268 0.000 1.061 51 V HN 0.403 8.580 8.190 -0.022 0.000 0.484 52 L N 6.734 127.889 121.223 -0.113 0.000 2.315 52 L HA 0.158 nan 4.340 nan 0.000 0.283 52 L C 0.481 177.297 176.870 -0.090 0.000 1.089 52 L CA -0.243 54.562 54.840 -0.059 0.000 0.833 52 L CB -0.478 41.572 42.059 -0.015 0.000 1.170 52 L HN -0.043 8.161 8.230 -0.043 0.000 0.442 53 H N 4.411 123.525 119.070 0.074 0.000 2.562 53 H HA 0.108 nan 4.556 nan 0.000 0.267 53 H C 0.451 175.830 175.328 0.085 0.000 0.959 53 H CA 2.813 58.910 56.048 0.082 0.000 1.204 53 H CB 1.165 30.982 29.762 0.091 0.000 1.430 53 H HN 0.263 8.841 8.280 0.125 -0.224 0.545 54 L N -1.793 119.532 121.223 0.171 0.000 2.688 54 L HA 0.229 nan 4.340 nan 0.000 0.216 54 L C -1.198 175.709 176.870 0.061 0.000 1.036 54 L CA 0.880 55.792 54.840 0.119 0.000 0.906 54 L CB 2.835 44.958 42.059 0.105 0.000 1.501 54 L HN -0.567 8.088 8.230 0.135 -0.344 0.489 55 I N 1.078 121.672 120.570 0.040 0.000 2.533 55 I HA -0.102 nan 4.170 nan 0.000 0.284 55 I C -2.061 174.047 176.117 -0.014 0.000 1.109 55 I CA -0.418 60.889 61.300 0.012 0.000 1.412 55 I CB -0.450 37.552 38.000 0.003 0.000 1.396 55 I HN 0.209 9.021 8.210 0.050 -0.572 0.543 56 P HA 0.128 nan 4.420 nan 0.000 0.269 56 P C 0.249 177.476 177.300 -0.122 0.000 1.209 56 P CA -0.287 62.776 63.100 -0.062 0.000 0.776 56 P CB 0.623 32.312 31.700 -0.018 0.000 0.876 57 S N 3.623 119.166 115.700 -0.262 0.000 2.500 57 S HA -0.278 nan 4.470 nan 0.000 0.239 57 S C 2.062 176.573 174.600 -0.149 0.000 0.989 57 S CA 2.650 60.664 58.200 -0.311 0.000 0.951 57 S CB -0.402 62.342 63.200 -0.759 0.000 0.759 57 S HN 0.645 8.751 8.310 -0.340 0.000 0.523 58 G N 2.086 110.826 108.800 -0.099 0.000 2.471 58 G HA2 -0.195 nan 3.960 nan 0.000 0.219 58 G HA3 -0.195 nan 3.960 nan 0.000 0.219 58 G C 0.798 175.671 174.900 -0.044 0.000 1.125 58 G CA 1.058 46.128 45.100 -0.050 0.000 0.775 58 G HN 0.133 8.301 8.290 -0.102 0.061 0.548 59 I N 2.051 122.594 120.570 -0.046 0.000 2.502 59 I HA -0.376 nan 4.170 nan 0.000 0.258 59 I C 0.982 177.081 176.117 -0.031 0.000 1.172 59 I CA 1.582 62.862 61.300 -0.034 0.000 1.430 59 I CB 0.152 38.134 38.000 -0.031 0.000 1.086 59 I HN -0.512 7.627 8.210 -0.056 0.037 0.440 60 L N -1.465 119.739 121.223 -0.032 0.000 2.072 60 L HA -0.270 nan 4.340 nan 0.000 0.205 60 L C 0.667 177.524 176.870 -0.021 0.000 1.079 60 L CA 1.749 56.577 54.840 -0.021 0.000 0.752 60 L CB -0.210 41.842 42.059 -0.013 0.000 0.906 60 L HN -0.805 7.349 8.230 -0.041 0.051 0.436 61 R N -1.426 119.059 120.500 -0.026 0.000 2.594 61 R HA -0.133 nan 4.340 nan 0.000 0.272 61 R C 0.041 176.317 176.300 -0.040 0.000 1.074 61 R CA 0.130 56.212 56.100 -0.030 0.000 1.105 61 R CB 0.457 30.738 30.300 -0.031 0.000 1.008 61 R HN -0.533 7.620 8.270 -0.029 0.100 0.472 62 E N 2.650 122.825 120.200 -0.042 0.000 2.060 62 E HA -0.217 nan 4.350 nan 0.000 0.189 62 E C 0.244 176.802 176.600 -0.069 0.000 0.974 62 E CA 2.293 58.664 56.400 -0.048 0.000 0.808 62 E CB -0.342 29.333 29.700 -0.041 0.000 0.768 62 E HN 0.490 8.827 8.360 -0.038 0.000 0.453 63 N N -0.021 118.630 118.700 -0.081 0.000 2.485 63 N HA -0.053 nan 4.740 nan 0.000 0.199 63 N C -1.165 174.253 175.510 -0.153 0.000 1.236 63 N CA 0.127 53.109 53.050 -0.113 0.000 0.852 63 N CB -0.431 37.988 38.487 -0.114 0.000 1.018 63 N HN 0.002 8.339 8.380 -0.070 0.000 0.457 64 V N -1.297 118.538 119.914 -0.131 0.000 2.919 64 V HA 0.279 nan 4.120 nan 0.000 0.316 64 V C -0.474 175.536 176.094 -0.141 0.000 1.077 64 V CA -1.245 60.962 62.300 -0.155 0.000 0.977 64 V CB 3.030 34.795 31.823 -0.097 0.000 1.039 64 V HN -0.758 7.253 8.190 -0.099 0.119 0.441 65 T N 7.563 122.015 114.554 -0.170 0.000 2.840 65 T HA 0.401 nan 4.350 nan 0.000 0.287 65 T C -1.509 173.199 174.700 0.013 0.000 0.991 65 T CA -0.738 61.315 62.100 -0.078 0.000 0.964 65 T CB 2.326 71.134 68.868 -0.099 0.000 0.954 65 T HN 0.238 8.333 8.240 -0.242 0.000 0.438 66 S N 7.071 122.789 115.700 0.029 0.000 2.489 66 S HA 0.908 nan 4.470 nan 0.000 0.291 66 S C -1.608 173.037 174.600 0.075 0.000 1.151 66 S CA -0.626 57.603 58.200 0.048 0.000 1.082 66 S CB 1.133 64.344 63.200 0.018 0.000 1.019 66 S HN 0.673 8.992 8.310 0.015 0.000 0.492 67 I N 3.644 124.270 120.570 0.093 0.000 2.509 67 I HA 0.615 nan 4.170 nan 0.000 0.293 67 I C -1.508 174.669 176.117 0.100 0.000 1.020 67 I CA -0.790 60.570 61.300 0.099 0.000 1.088 67 I CB 3.499 41.567 38.000 0.114 0.000 1.267 67 I HN 0.756 9.022 8.210 0.094 0.000 0.430 68 I N 6.171 126.794 120.570 0.088 0.000 2.307 68 I HA 0.335 nan 4.170 nan 0.000 0.287 68 I C -0.207 175.975 176.117 0.110 0.000 1.054 68 I CA -1.376 59.977 61.300 0.089 0.000 1.218 68 I CB -0.706 37.328 38.000 0.057 0.000 1.398 68 I HN 0.027 8.283 8.210 0.077 0.000 0.475 69 G N 4.764 113.656 108.800 0.154 0.000 2.664 69 G HA2 -0.149 nan 3.960 nan 0.000 0.242 69 G HA3 -0.149 nan 3.960 nan 0.000 0.242 69 G C 0.969 175.954 174.900 0.143 0.000 1.225 69 G CA -0.703 44.502 45.100 0.176 0.000 0.849 69 G HN 0.778 9.066 8.290 0.178 0.109 0.581 70 N N 1.113 119.894 118.700 0.135 0.000 2.430 70 N HA -0.300 nan 4.740 nan 0.000 0.186 70 N C 0.653 176.242 175.510 0.131 0.000 1.032 70 N CA 2.023 55.143 53.050 0.116 0.000 0.893 70 N CB -0.588 37.964 38.487 0.108 0.000 0.957 70 N HN 0.371 8.834 8.380 0.139 0.000 0.442 71 G N -0.815 108.085 108.800 0.166 0.000 2.623 71 G HA2 -0.071 nan 3.960 nan 0.000 0.214 71 G HA3 -0.071 nan 3.960 nan 0.000 0.214 71 G C -1.386 173.627 174.900 0.189 0.000 1.138 71 G CA 0.140 45.360 45.100 0.201 0.000 0.794 71 G HN -0.472 7.870 8.290 0.184 0.058 0.535 72 V N 1.419 121.405 119.914 0.120 0.000 2.811 72 V HA 0.215 nan 4.120 nan 0.000 0.302 72 V C 0.260 176.359 176.094 0.009 0.000 1.063 72 V CA 1.008 63.351 62.300 0.072 0.000 1.088 72 V CB 0.159 32.017 31.823 0.058 0.000 0.982 72 V HN -0.687 7.530 8.190 0.119 0.045 0.485 73 V N 1.433 121.310 119.914 -0.062 0.000 2.394 73 V HA 0.424 nan 4.120 nan 0.000 0.282 73 V C -1.176 174.872 176.094 -0.077 0.000 1.031 73 V CA -2.048 60.149 62.300 -0.172 0.000 0.881 73 V CB 0.163 31.740 31.823 -0.411 0.000 0.982 73 V HN 0.612 8.678 8.190 -0.019 0.112 0.451 74 L N 6.872 128.045 121.223 -0.083 0.000 2.272 74 L HA 0.444 nan 4.340 nan 0.000 0.289 74 L C -1.276 175.527 176.870 -0.111 0.000 1.032 74 L CA -0.735 54.061 54.840 -0.075 0.000 0.810 74 L CB 3.027 45.056 42.059 -0.051 0.000 1.205 74 L HN 1.154 9.217 8.230 -0.094 0.110 0.422 75 S N 6.426 122.014 115.700 -0.187 0.000 2.438 75 S HA 0.435 nan 4.470 nan 0.000 0.316 75 S C -1.594 172.898 174.600 -0.180 0.000 1.084 75 S CA -4.292 53.769 58.200 -0.231 0.000 1.107 75 S CB 0.586 63.506 63.200 -0.467 0.000 0.981 75 S HN 0.501 8.686 8.310 -0.209 0.000 0.466 76 P HA -0.214 nan 4.420 nan 0.000 0.216 76 P C -0.007 177.237 177.300 -0.094 0.000 1.150 76 P CA 2.539 65.582 63.100 -0.095 0.000 0.843 76 P CB 0.137 31.793 31.700 -0.074 0.000 0.787 77 A N -4.477 118.282 122.820 -0.102 0.000 1.969 77 A HA -0.203 nan 4.320 nan 0.000 0.218 77 A C 1.720 179.252 177.584 -0.088 0.000 1.169 77 A CA 2.603 54.590 52.037 -0.083 0.000 0.635 77 A CB -0.968 17.989 19.000 -0.072 0.000 0.810 77 A HN 0.254 8.324 8.150 -0.111 0.014 0.445 78 A N -0.153 122.581 122.820 -0.144 0.000 1.832 78 A HA -0.228 nan 4.320 nan 0.000 0.214 78 A C 1.605 179.154 177.584 -0.058 0.000 1.200 78 A CA 2.630 54.596 52.037 -0.119 0.000 0.610 78 A CB -0.862 17.987 19.000 -0.251 0.000 0.842 78 A HN -0.664 7.343 8.150 -0.204 0.020 0.444 79 L N -1.013 120.167 121.223 -0.073 0.000 2.013 79 L HA -0.417 nan 4.340 nan 0.000 0.212 79 L C 2.059 178.909 176.870 -0.032 0.000 1.073 79 L CA 3.443 58.259 54.840 -0.041 0.000 0.753 79 L CB 0.030 42.060 42.059 -0.048 0.000 0.890 79 L HN -0.659 7.503 8.230 -0.114 0.000 0.432 80 M N -2.517 117.058 119.600 -0.042 0.000 2.065 80 M HA -0.433 nan 4.480 nan 0.000 0.259 80 M C 2.034 178.322 176.300 -0.020 0.000 1.069 80 M CA 1.760 57.040 55.300 -0.033 0.000 1.110 80 M CB -1.754 30.823 32.600 -0.038 0.000 1.328 80 M HN 0.222 8.478 8.290 -0.057 0.000 0.405 81 K N -0.695 119.694 120.400 -0.018 0.000 2.074 81 K HA -0.393 nan 4.320 nan 0.000 0.209 81 K C 2.529 179.134 176.600 0.008 0.000 1.048 81 K CA 3.496 59.781 56.287 -0.003 0.000 0.926 81 K CB -0.453 32.048 32.500 0.002 0.000 0.713 81 K HN -0.172 7.952 8.250 -0.028 0.109 0.444 82 E N -0.544 119.663 120.200 0.011 0.000 2.106 82 E HA -0.251 nan 4.350 nan 0.000 0.192 82 E C 2.589 179.194 176.600 0.007 0.000 0.984 82 E CA 2.826 59.237 56.400 0.018 0.000 0.806 82 E CB -0.035 29.680 29.700 0.026 0.000 0.750 82 E HN 0.043 8.406 8.360 0.006 0.000 0.458 83 M N -0.313 119.286 119.600 -0.001 0.000 2.067 83 M HA -0.433 nan 4.480 nan 0.000 0.260 83 M C 1.874 178.172 176.300 -0.004 0.000 1.069 83 M CA 4.283 59.580 55.300 -0.005 0.000 1.117 83 M CB -0.079 32.514 32.600 -0.011 0.000 1.334 83 M HN 0.155 8.442 8.290 -0.005 0.000 0.407 84 K N -0.739 119.658 120.400 -0.004 0.000 2.044 84 K HA -0.406 nan 4.320 nan 0.000 0.210 84 K C 1.679 178.280 176.600 0.001 0.000 1.049 84 K CA 3.492 59.777 56.287 -0.003 0.000 0.927 84 K CB -0.540 31.958 32.500 -0.003 0.000 0.713 84 K HN -0.414 7.832 8.250 -0.006 0.000 0.443 85 E N -1.016 119.187 120.200 0.005 0.000 2.118 85 E HA -0.274 nan 4.350 nan 0.000 0.195 85 E C 2.318 178.921 176.600 0.006 0.000 0.992 85 E CA 2.924 59.329 56.400 0.008 0.000 0.804 85 E CB -0.169 29.540 29.700 0.015 0.000 0.741 85 E HN -0.630 7.733 8.360 0.006 0.000 0.458 86 L N -2.525 118.700 121.223 0.003 0.000 2.162 86 L HA -0.165 nan 4.340 nan 0.000 0.205 86 L C 2.284 179.153 176.870 -0.001 0.000 1.086 86 L CA 2.667 57.507 54.840 0.001 0.000 0.778 86 L CB 0.381 42.439 42.059 -0.002 0.000 0.928 86 L HN -0.123 7.923 8.230 0.003 0.187 0.446 87 E N 0.955 121.154 120.200 -0.002 0.000 2.051 87 E HA -0.392 nan 4.350 nan 0.000 0.192 87 E C 2.839 179.438 176.600 -0.002 0.000 0.991 87 E CA 3.559 59.957 56.400 -0.003 0.000 0.799 87 E CB -0.208 29.489 29.700 -0.005 0.000 0.748 87 E HN 0.741 8.976 8.360 -0.002 0.123 0.449 88 D N -0.818 119.582 120.400 -0.001 0.000 2.271 88 D HA -0.195 nan 4.640 nan 0.000 0.207 88 D C 1.234 177.534 176.300 0.001 0.000 0.983 88 D CA 2.687 56.688 54.000 0.000 0.000 0.878 88 D CB -0.406 40.395 40.800 0.002 0.000 0.920 88 D HN 0.415 8.668 8.370 -0.000 0.117 0.479 89 R N -3.265 117.235 120.500 0.001 0.000 2.393 89 R HA 0.137 nan 4.340 nan 0.000 0.244 89 R C 0.488 176.788 176.300 -0.000 0.000 0.920 89 R CA -0.537 55.564 56.100 0.001 0.000 1.076 89 R CB 0.298 30.600 30.300 0.003 0.000 1.119 89 R HN -0.717 7.394 8.270 0.001 0.159 0.524 90 G N 0.044 108.843 108.800 -0.002 0.000 2.132 90 G HA2 -0.377 nan 3.960 nan 0.000 0.234 90 G HA3 -0.377 nan 3.960 nan 0.000 0.234 90 G C -0.719 174.178 174.900 -0.005 0.000 0.989 90 G CA 0.331 45.429 45.100 -0.004 0.000 0.676 90 G HN 0.263 8.357 8.290 -0.002 0.195 0.522 91 I N 1.108 121.675 120.570 -0.006 0.000 2.306 91 I HA 0.328 nan 4.170 nan 0.000 0.288 91 I C -1.297 174.815 176.117 -0.009 0.000 1.036 91 I CA -4.445 56.850 61.300 -0.008 0.000 1.221 91 I CB 0.164 38.159 38.000 -0.008 0.000 1.385 91 I HN -0.455 7.752 8.210 -0.004 0.000 0.472 92 P HA 0.046 nan 4.420 nan 0.000 0.245 92 P C 0.512 177.805 177.300 -0.011 0.000 1.670 92 P CA -0.001 63.092 63.100 -0.010 0.000 1.146 92 P CB -1.671 30.021 31.700 -0.012 0.000 1.954 93 V N 3.877 123.785 119.914 -0.010 0.000 2.220 93 V HA -0.487 nan 4.120 nan 0.000 0.246 93 V C 1.978 178.068 176.094 -0.007 0.000 1.049 93 V CA 4.221 66.516 62.300 -0.009 0.000 1.003 93 V CB -0.528 31.291 31.823 -0.008 0.000 0.634 93 V HN 0.320 8.461 8.190 -0.009 0.044 0.444 94 R N -1.490 119.006 120.500 -0.007 0.000 2.226 94 R HA -0.342 nan 4.340 nan 0.000 0.246 94 R C 1.354 177.653 176.300 -0.003 0.000 1.161 94 R CA 2.822 58.919 56.100 -0.006 0.000 0.997 94 R CB -0.462 29.834 30.300 -0.008 0.000 0.870 94 R HN 0.426 8.691 8.270 -0.008 0.000 0.465 95 E N -2.898 117.299 120.200 -0.005 0.000 2.474 95 E HA -0.015 nan 4.350 nan 0.000 0.195 95 E C 0.932 177.529 176.600 -0.006 0.000 1.039 95 E CA 0.633 57.031 56.400 -0.004 0.000 0.881 95 E CB 0.350 30.045 29.700 -0.007 0.000 0.970 95 E HN -0.548 7.768 8.360 -0.007 0.039 0.486 96 R N -2.289 118.207 120.500 -0.007 0.000 2.446 96 R HA 0.205 nan 4.340 nan 0.000 0.254 96 R C -1.810 174.491 176.300 0.000 0.000 0.918 96 R CA -0.027 56.066 56.100 -0.012 0.000 1.069 96 R CB 2.373 32.660 30.300 -0.022 0.000 1.194 96 R HN 0.175 8.271 8.270 -0.006 0.170 0.534 97 L N -1.250 119.977 121.223 0.008 0.000 2.346 97 L HA 0.672 nan 4.340 nan 0.000 0.274 97 L C -2.106 174.781 176.870 0.028 0.000 1.007 97 L CA -0.667 54.184 54.840 0.019 0.000 0.818 97 L CB 3.264 45.328 42.059 0.010 0.000 1.284 97 L HN -0.770 7.463 8.230 0.005 0.000 0.424 98 L N 2.426 123.674 121.223 0.042 0.000 2.445 98 L HA 0.584 nan 4.340 nan 0.000 0.262 98 L C -1.717 175.183 176.870 0.049 0.000 0.974 98 L CA -1.518 53.350 54.840 0.047 0.000 0.822 98 L CB 3.810 45.909 42.059 0.066 0.000 1.339 98 L HN 0.483 8.742 8.230 0.049 0.000 0.409 99 L N -1.458 119.790 121.223 0.042 0.000 2.304 99 L HA 0.602 nan 4.340 nan 0.000 0.268 99 L C -1.295 175.611 176.870 0.059 0.000 1.010 99 L CA -2.152 52.713 54.840 0.042 0.000 0.813 99 L CB 2.270 44.338 42.059 0.014 0.000 1.315 99 L HN 0.222 8.348 8.230 0.038 0.127 0.445 100 S N -1.947 113.791 115.700 0.063 0.000 2.593 100 S HA 0.321 nan 4.470 nan 0.000 0.297 100 S C 1.091 175.737 174.600 0.077 0.000 1.112 100 S CA -2.319 55.928 58.200 0.079 0.000 1.043 100 S CB 1.555 64.807 63.200 0.087 0.000 1.054 100 S HN 0.196 8.540 8.310 0.057 0.000 0.516 101 E N 5.184 125.447 120.200 0.105 0.000 2.285 101 E HA -0.145 nan 4.350 nan 0.000 0.194 101 E C 1.067 177.728 176.600 0.101 0.000 0.997 101 E CA 2.445 58.920 56.400 0.125 0.000 0.845 101 E CB -0.267 29.557 29.700 0.207 0.000 0.782 101 E HN 0.904 9.331 8.360 0.111 0.000 0.491 102 A N -0.657 122.217 122.820 0.091 0.000 2.167 102 A HA -0.043 nan 4.320 nan 0.000 0.214 102 A C 0.026 177.654 177.584 0.073 0.000 1.151 102 A CA 0.287 52.376 52.037 0.085 0.000 0.735 102 A CB -0.290 18.762 19.000 0.086 0.000 0.802 102 A HN -0.500 7.665 8.150 0.091 0.039 0.467 103 C N 2.249 121.586 119.300 0.061 0.000 2.419 103 C HA -0.076 nan 4.460 nan 0.000 0.398 103 C C -1.865 173.138 174.990 0.023 0.000 1.498 103 C CA -0.415 58.626 59.018 0.039 0.000 1.494 103 C CB -1.207 26.547 27.740 0.024 0.000 2.485 103 C HN -0.502 7.717 8.230 0.064 0.050 0.608 104 P HA 0.287 nan 4.420 nan 0.000 0.278 104 P C -1.776 175.502 177.300 -0.036 0.000 1.238 104 P CA 0.010 63.100 63.100 -0.016 0.000 0.794 104 P CB 0.587 32.239 31.700 -0.080 0.000 0.955 105 L N 1.683 122.919 121.223 0.021 0.000 2.307 105 L HA 0.497 nan 4.340 nan 0.000 0.282 105 L C -0.155 176.732 176.870 0.028 0.000 1.051 105 L CA -0.977 53.879 54.840 0.027 0.000 0.804 105 L CB 1.403 43.513 42.059 0.085 0.000 1.197 105 L HN 0.080 8.354 8.230 0.073 0.000 0.431 106 I N 3.586 124.136 120.570 -0.032 0.000 2.306 106 I HA 0.139 nan 4.170 nan 0.000 0.288 106 I C -1.162 174.959 176.117 0.008 0.000 1.036 106 I CA -0.265 61.019 61.300 -0.027 0.000 1.221 106 I CB -0.292 37.646 38.000 -0.103 0.000 1.385 106 I HN 0.942 8.995 8.210 -0.057 0.123 0.472 107 L N 5.308 126.545 121.223 0.023 0.000 2.341 107 L HA 0.234 nan 4.340 nan 0.000 0.267 107 L C 0.339 177.010 176.870 -0.331 0.000 1.022 107 L CA -1.606 53.119 54.840 -0.191 0.000 0.844 107 L CB 1.779 43.721 42.059 -0.196 0.000 1.436 107 L HN -0.230 8.224 8.230 0.373 0.000 0.483 108 D N 0.274 120.546 120.400 -0.215 0.000 2.116 108 D HA -0.374 nan 4.640 nan 0.000 0.193 108 D C 1.838 178.058 176.300 -0.134 0.000 0.998 108 D CA 3.919 57.850 54.000 -0.116 0.000 0.836 108 D CB -0.127 40.679 40.800 0.010 0.000 0.951 108 D HN 0.737 9.040 8.370 -0.111 0.000 0.449 109 Y N -4.828 115.424 120.300 -0.080 0.000 2.421 109 Y HA -0.159 nan 4.550 nan 0.000 0.292 109 Y C 1.856 177.644 175.900 -0.187 0.000 1.136 109 Y CA 1.147 59.172 58.100 -0.125 0.000 1.255 109 Y CB -1.181 37.219 38.460 -0.100 0.000 0.991 109 Y HN -0.071 8.059 8.280 -0.250 0.000 0.552 110 H N 1.133 119.893 119.070 -0.517 0.000 2.363 110 H HA -0.288 nan 4.556 nan 0.000 0.301 110 H C 2.337 177.546 175.328 -0.199 0.000 1.074 110 H CA 3.787 59.632 56.048 -0.338 0.000 1.354 110 H CB 0.207 29.758 29.762 -0.351 0.000 1.397 110 H HN -0.474 7.120 8.280 -0.900 0.146 0.516 111 V N -0.720 119.174 119.914 -0.034 0.000 2.379 111 V HA -0.374 nan 4.120 nan 0.000 0.245 111 V C 1.485 177.551 176.094 -0.047 0.000 1.044 111 V CA 4.148 66.430 62.300 -0.030 0.000 1.036 111 V CB -0.832 30.979 31.823 -0.021 0.000 0.664 111 V HN -0.539 7.603 8.190 -0.079 0.000 0.453 112 A N -1.065 121.725 122.820 -0.050 0.000 2.019 112 A HA -0.222 nan 4.320 nan 0.000 0.219 112 A C 2.157 179.685 177.584 -0.094 0.000 1.164 112 A CA 3.179 55.189 52.037 -0.045 0.000 0.644 112 A CB -0.755 18.240 19.000 -0.007 0.000 0.805 112 A HN 0.238 8.246 8.150 -0.055 0.109 0.449 113 L N -2.181 118.967 121.223 -0.124 0.000 2.095 113 L HA -0.251 nan 4.340 nan 0.000 0.204 113 L C 1.881 178.616 176.870 -0.225 0.000 1.080 113 L CA 3.235 57.945 54.840 -0.217 0.000 0.759 113 L CB -0.260 41.685 42.059 -0.190 0.000 0.914 113 L HN -0.336 7.700 8.230 -0.100 0.133 0.439 114 D N -0.479 119.845 120.400 -0.126 0.000 2.084 114 D HA -0.333 nan 4.640 nan 0.000 0.194 114 D C 2.368 178.613 176.300 -0.092 0.000 0.990 114 D CA 3.241 57.184 54.000 -0.094 0.000 0.826 114 D CB -0.266 40.498 40.800 -0.060 0.000 0.971 114 D HN -0.620 7.693 8.370 -0.094 0.000 0.453 115 N N -0.715 117.938 118.700 -0.078 0.000 2.073 115 N HA -0.411 nan 4.740 nan 0.000 0.199 115 N C 1.981 177.454 175.510 -0.062 0.000 1.023 115 N CA 3.359 56.374 53.050 -0.057 0.000 0.880 115 N CB -0.103 38.356 38.487 -0.047 0.000 1.052 115 N HN -0.060 8.276 8.380 -0.073 0.000 0.449 116 A N -1.327 121.423 122.820 -0.115 0.000 1.898 116 A HA -0.213 nan 4.320 nan 0.000 0.216 116 A C 2.141 179.705 177.584 -0.033 0.000 1.181 116 A CA 2.919 54.895 52.037 -0.102 0.000 0.620 116 A CB -0.508 18.344 19.000 -0.246 0.000 0.819 116 A HN -0.649 7.410 8.150 -0.157 -0.003 0.442 117 R N -4.155 116.280 120.500 -0.110 0.000 2.303 117 R HA -0.326 nan 4.340 nan 0.000 0.225 117 R C 1.602 177.936 176.300 0.056 0.000 1.114 117 R CA 3.009 59.139 56.100 0.050 0.000 1.007 117 R CB -0.332 29.975 30.300 0.011 0.000 0.861 117 R HN -0.519 7.614 8.270 -0.229 0.000 0.471 118 E N -2.350 117.861 120.200 0.018 0.000 2.099 118 E HA 0.017 nan 4.350 nan 0.000 0.191 118 E C 1.241 177.859 176.600 0.029 0.000 0.962 118 E CA 1.489 57.899 56.400 0.017 0.000 0.826 118 E CB 0.211 29.910 29.700 -0.002 0.000 0.788 118 E HN -0.677 7.632 8.360 -0.010 0.045 0.461 119 K N 1.014 121.432 120.400 0.030 0.000 2.152 119 K HA -0.298 nan 4.320 nan 0.000 0.206 119 K C 1.478 178.108 176.600 0.050 0.000 1.048 119 K CA 2.536 58.844 56.287 0.035 0.000 0.933 119 K CB -0.233 32.287 32.500 0.034 0.000 0.721 119 K HN -0.483 7.778 8.250 0.018 0.000 0.447 120 A N -3.072 119.799 122.820 0.086 0.000 2.206 120 A HA -0.016 nan 4.320 nan 0.000 0.211 120 A C 1.000 178.616 177.584 0.053 0.000 1.158 120 A CA 1.781 53.868 52.037 0.084 0.000 0.761 120 A CB 0.160 19.259 19.000 0.165 0.000 0.801 120 A HN 0.035 8.239 8.150 0.110 0.012 0.473 121 R N -3.516 117.012 120.500 0.046 0.000 2.383 121 R HA 0.240 nan 4.340 nan 0.000 0.205 121 R C 1.565 177.878 176.300 0.022 0.000 0.875 121 R CA -0.660 55.460 56.100 0.032 0.000 1.039 121 R CB 1.212 31.532 30.300 0.033 0.000 1.267 121 R HN -0.283 7.829 8.270 0.047 0.187 0.635 122 G N 0.408 109.220 108.800 0.021 0.000 2.774 122 G HA2 -0.518 nan 3.960 nan 0.000 0.342 122 G HA3 -0.518 nan 3.960 nan 0.000 0.342 122 G C 0.616 175.523 174.900 0.013 0.000 1.185 122 G CA 2.040 47.148 45.100 0.014 0.000 0.956 122 G HN 0.658 8.851 8.290 0.024 0.112 0.561 123 A N 3.994 126.821 122.820 0.012 0.000 1.986 123 A HA -0.210 nan 4.320 nan 0.000 0.220 123 A C 0.797 178.391 177.584 0.016 0.000 1.171 123 A CA 2.406 54.451 52.037 0.013 0.000 0.640 123 A CB -0.209 18.797 19.000 0.011 0.000 0.811 123 A HN 0.113 8.269 8.150 0.011 0.000 0.451 124 K N -2.078 118.333 120.400 0.018 0.000 2.832 124 K HA 0.107 nan 4.320 nan 0.000 0.211 124 K C -1.073 175.538 176.600 0.019 0.000 1.112 124 K CA -1.063 55.237 56.287 0.023 0.000 1.108 124 K CB 0.439 32.955 32.500 0.026 0.000 0.899 124 K HN -0.502 7.733 8.250 0.018 0.025 0.464 125 A N 0.057 122.887 122.820 0.015 0.000 2.477 125 A HA 0.017 nan 4.320 nan 0.000 0.246 125 A C 0.598 178.186 177.584 0.007 0.000 1.078 125 A CA 0.758 52.801 52.037 0.011 0.000 0.770 125 A CB 0.580 19.585 19.000 0.008 0.000 1.011 125 A HN -0.093 7.920 8.150 0.015 0.146 0.494 126 I N 0.826 121.394 120.570 -0.003 0.000 3.334 126 I HA -0.109 nan 4.170 nan 0.000 0.282 126 I C 0.102 176.214 176.117 -0.008 0.000 1.313 126 I CA -0.212 61.082 61.300 -0.011 0.000 1.396 126 I CB -0.056 37.921 38.000 -0.039 0.000 1.054 126 I HN -0.032 8.175 8.210 -0.005 0.000 0.495 127 G N -0.558 108.238 108.800 -0.006 0.000 2.915 127 G HA2 -0.289 nan 3.960 nan 0.000 0.686 127 G HA3 -0.289 nan 3.960 nan 0.000 0.686 127 G C -1.388 173.500 174.900 -0.020 0.000 1.414 127 G CA -0.361 44.734 45.100 -0.009 0.000 1.053 127 G HN -0.222 7.960 8.290 -0.004 0.105 0.598 128 T N 0.115 114.653 114.554 -0.027 0.000 2.883 128 T HA 0.305 nan 4.350 nan 0.000 0.301 128 T C -0.277 174.390 174.700 -0.056 0.000 1.158 128 T CA -0.266 61.808 62.100 -0.043 0.000 1.007 128 T CB 1.570 70.409 68.868 -0.048 0.000 1.186 128 T HN -0.316 7.910 8.240 -0.024 0.000 0.499 129 T N 0.683 115.189 114.554 -0.081 0.000 3.556 129 T HA 0.187 nan 4.350 nan 0.000 0.204 129 T C 1.227 175.815 174.700 -0.187 0.000 0.896 129 T CA -0.069 61.964 62.100 -0.113 0.000 1.380 129 T CB 0.145 68.954 68.868 -0.098 0.000 1.584 129 T HN 0.145 8.335 8.240 -0.083 0.000 0.411 130 G N 0.796 109.433 108.800 -0.273 0.000 2.807 130 G HA2 -0.106 nan 3.960 nan 0.000 0.207 130 G HA3 -0.106 nan 3.960 nan 0.000 0.207 130 G C -0.189 174.471 174.900 -0.401 0.000 1.151 130 G CA -0.374 44.411 45.100 -0.524 0.000 0.800 130 G HN -0.024 8.133 8.290 -0.221 0.000 0.523 131 R N -1.539 118.857 120.500 -0.173 0.000 1.807 131 R HA -0.691 nan 4.340 nan 0.000 0.324 131 R C 0.205 176.491 176.300 -0.022 0.000 1.252 131 R CA 0.920 56.977 56.100 -0.071 0.000 1.266 131 R CB -2.047 28.238 30.300 -0.025 0.000 3.480 131 R HN -0.827 7.284 8.270 -0.153 0.068 0.472 132 G N 1.127 109.902 108.800 -0.041 0.000 2.241 132 G HA2 -0.481 nan 3.960 nan 0.000 0.244 132 G HA3 -0.481 nan 3.960 nan 0.000 0.244 132 G C 0.729 175.558 174.900 -0.120 0.000 0.998 132 G CA 0.680 45.749 45.100 -0.052 0.000 0.621 132 G HN 0.914 9.622 8.290 -0.051 -0.448 0.519 133 I N 2.556 123.071 120.570 -0.091 0.000 2.094 133 I HA -0.588 nan 4.170 nan 0.000 0.236 133 I C 1.912 177.969 176.117 -0.100 0.000 1.016 133 I CA 3.930 65.164 61.300 -0.110 0.000 1.294 133 I CB -0.984 36.977 38.000 -0.066 0.000 1.006 133 I HN -0.688 7.371 8.210 -0.084 0.101 0.397 134 G N -1.338 107.471 108.800 0.016 0.000 2.545 134 G HA2 -0.223 nan 3.960 nan 0.000 0.217 134 G HA3 -0.223 nan 3.960 nan 0.000 0.217 134 G C -1.408 173.517 174.900 0.042 0.000 1.218 134 G CA 2.821 47.979 45.100 0.096 0.000 0.787 134 G HN 0.556 8.848 8.290 0.004 0.000 0.571 135 P HA -0.178 nan 4.420 nan 0.000 0.224 135 P C 0.425 177.663 177.300 -0.102 0.000 1.142 135 P CA 1.801 64.922 63.100 0.036 0.000 0.778 135 P CB -0.789 30.957 31.700 0.077 0.000 0.764 136 A N -2.156 120.414 122.820 -0.416 0.000 1.935 136 A HA -0.131 nan 4.320 nan 0.000 0.214 136 A C 1.883 179.345 177.584 -0.203 0.000 1.178 136 A CA 2.602 54.295 52.037 -0.572 0.000 0.640 136 A CB -0.566 18.030 19.000 -0.674 0.000 0.825 136 A HN -0.155 7.730 8.150 -0.371 0.042 0.447 137 Y N -1.159 119.106 120.300 -0.057 0.000 2.133 137 Y HA -0.436 nan 4.550 nan 0.000 0.287 137 Y C 2.191 178.113 175.900 0.038 0.000 1.134 137 Y CA 2.843 60.943 58.100 0.000 0.000 1.133 137 Y CB -0.346 38.115 38.460 0.002 0.000 0.987 137 Y HN -0.227 7.889 8.280 -0.089 0.111 0.502 138 E N -1.545 118.782 120.200 0.212 0.000 2.033 138 E HA -0.514 nan 4.350 nan 0.000 0.199 138 E C 2.478 179.179 176.600 0.169 0.000 1.011 138 E CA 3.190 59.695 56.400 0.176 0.000 0.815 138 E CB -0.577 29.231 29.700 0.181 0.000 0.755 138 E HN -0.270 8.212 8.360 0.204 0.000 0.451 139 D N -0.853 119.672 120.400 0.209 0.000 2.172 139 D HA -0.270 nan 4.640 nan 0.000 0.196 139 D C 2.333 178.722 176.300 0.148 0.000 0.999 139 D CA 2.984 57.120 54.000 0.227 0.000 0.856 139 D CB -0.399 40.651 40.800 0.418 0.000 0.934 139 D HN -0.533 7.973 8.370 0.226 0.000 0.453 140 K N -1.084 119.396 120.400 0.134 0.000 2.103 140 K HA -0.140 nan 4.320 nan 0.000 0.204 140 K C 1.463 178.126 176.600 0.106 0.000 1.052 140 K CA 2.728 59.085 56.287 0.118 0.000 0.945 140 K CB 0.453 33.032 32.500 0.131 0.000 0.722 140 K HN -0.300 7.922 8.250 0.134 0.109 0.443 141 V N -6.342 113.639 119.914 0.112 0.000 3.052 141 V HA 0.168 nan 4.120 nan 0.000 0.254 141 V C 0.793 176.920 176.094 0.055 0.000 1.100 141 V CA 0.898 63.248 62.300 0.083 0.000 1.112 141 V CB -0.250 31.623 31.823 0.083 0.000 0.738 141 V HN -0.380 7.803 8.190 0.137 0.088 0.469 142 A N -1.190 121.660 122.820 0.051 0.000 2.238 142 A HA 0.069 nan 4.320 nan 0.000 0.208 142 A C 0.120 177.700 177.584 -0.007 0.000 1.177 142 A CA 0.154 52.197 52.037 0.012 0.000 0.804 142 A CB 0.449 19.443 19.000 -0.011 0.000 0.823 142 A HN -0.125 8.069 8.150 0.074 0.000 0.482 143 R N -6.225 114.287 120.500 0.021 0.000 3.953 143 R HA -0.315 nan 4.340 nan 0.000 0.340 143 R C 0.644 176.944 176.300 0.000 0.000 1.195 143 R CA 1.650 57.761 56.100 0.018 0.000 0.929 143 R CB -2.860 27.445 30.300 0.009 0.000 1.402 143 R HN 0.241 8.328 8.270 0.044 0.209 0.540 144 R N -2.066 118.426 120.500 -0.013 0.000 2.280 144 R HA 0.106 nan 4.340 nan 0.000 0.195 144 R C 0.268 176.584 176.300 0.028 0.000 0.935 144 R CA 0.408 56.482 56.100 -0.044 0.000 1.033 144 R CB 0.082 30.286 30.300 -0.160 0.000 0.964 144 R HN -0.200 8.032 8.270 0.002 0.040 0.489 145 G N 0.287 109.143 108.800 0.093 0.000 2.479 145 G HA2 -0.030 nan 3.960 nan 0.000 0.275 145 G HA3 -0.030 nan 3.960 nan 0.000 0.275 145 G C -1.472 173.519 174.900 0.150 0.000 1.421 145 G CA -0.277 44.921 45.100 0.162 0.000 1.059 145 G HN -0.394 7.842 8.290 0.087 0.105 0.535 146 L N -1.796 119.539 121.223 0.188 0.000 2.455 146 L HA 0.500 nan 4.340 nan 0.000 0.264 146 L C -1.310 175.656 176.870 0.160 0.000 0.968 146 L CA -0.706 54.248 54.840 0.191 0.000 0.827 146 L CB 3.096 45.313 42.059 0.264 0.000 1.317 146 L HN 0.015 8.372 8.230 0.212 0.000 0.407 147 R N 2.577 123.159 120.500 0.137 0.000 2.602 147 R HA 0.598 nan 4.340 nan 0.000 0.237 147 R C 0.105 176.449 176.300 0.073 0.000 1.219 147 R CA -0.887 55.271 56.100 0.097 0.000 1.121 147 R CB 1.125 31.484 30.300 0.098 0.000 1.408 147 R HN 0.804 9.640 8.270 0.151 -0.476 0.559 148 V N -1.887 118.045 119.914 0.030 0.000 2.548 148 V HA -0.024 nan 4.120 nan 0.000 0.249 148 V C 1.842 177.887 176.094 -0.082 0.000 1.055 148 V CA 3.412 65.684 62.300 -0.047 0.000 1.065 148 V CB -0.264 31.526 31.823 -0.055 0.000 0.681 148 V HN 0.039 8.253 8.190 0.041 0.000 0.462 149 G N -0.422 108.412 108.800 0.056 0.000 2.491 149 G HA2 -0.439 nan 3.960 nan 0.000 0.218 149 G HA3 -0.439 nan 3.960 nan 0.000 0.218 149 G C 0.383 175.407 174.900 0.207 0.000 1.180 149 G CA 2.611 47.842 45.100 0.217 0.000 0.774 149 G HN 0.137 8.459 8.290 0.083 0.018 0.562 150 D N 1.946 122.437 120.400 0.150 0.000 2.362 150 D HA -0.306 nan 4.640 nan 0.000 0.215 150 D C 2.139 178.487 176.300 0.079 0.000 0.978 150 D CA 2.641 56.747 54.000 0.176 0.000 0.921 150 D CB -0.802 40.153 40.800 0.258 0.000 0.895 150 D HN 0.341 8.794 8.370 0.139 0.000 0.494 151 L N -1.377 119.757 121.223 -0.148 0.000 2.291 151 L HA -0.298 nan 4.340 nan 0.000 0.214 151 L C 1.157 177.918 176.870 -0.182 0.000 1.120 151 L CA 1.852 56.474 54.840 -0.363 0.000 0.799 151 L CB -0.324 41.433 42.059 -0.502 0.000 0.925 151 L HN -0.688 7.374 8.230 -0.167 0.068 0.446 152 F N -4.768 115.150 119.950 -0.053 0.000 2.202 152 F HA -0.296 nan 4.527 nan 0.000 0.301 152 F C 0.735 176.534 175.800 -0.001 0.000 1.082 152 F CA 2.287 60.273 58.000 -0.023 0.000 1.313 152 F CB 0.124 39.122 39.000 -0.004 0.000 1.024 152 F HN -0.156 8.006 8.300 0.009 0.144 0.495 153 D N -1.916 118.608 120.400 0.207 0.000 2.485 153 D HA 0.178 nan 4.640 nan 0.000 0.229 153 D C -0.060 176.328 176.300 0.148 0.000 1.101 153 D CA -1.993 52.098 54.000 0.152 0.000 0.906 153 D CB -0.500 40.385 40.800 0.142 0.000 1.019 153 D HN -0.757 7.718 8.370 0.209 0.020 0.516 154 K N 4.483 124.951 120.400 0.114 0.000 2.209 154 K HA -0.327 nan 4.320 nan 0.000 0.204 154 K C 1.488 178.193 176.600 0.175 0.000 1.048 154 K CA 3.051 59.417 56.287 0.132 0.000 0.940 154 K CB 0.148 32.692 32.500 0.072 0.000 0.729 154 K HN 0.347 8.654 8.250 0.095 0.000 0.451 155 E N -1.324 118.955 120.200 0.132 0.000 2.028 155 E HA -0.200 nan 4.350 nan 0.000 0.190 155 E C 1.870 178.544 176.600 0.124 0.000 0.984 155 E CA 2.751 59.219 56.400 0.112 0.000 0.800 155 E CB -0.001 29.747 29.700 0.080 0.000 0.758 155 E HN -0.300 8.225 8.360 0.113 -0.097 0.448 156 T N 2.517 117.147 114.554 0.128 0.000 2.833 156 T HA -0.252 nan 4.350 nan 0.000 0.269 156 T C 1.671 176.461 174.700 0.151 0.000 1.054 156 T CA 3.705 65.876 62.100 0.118 0.000 1.135 156 T CB -0.656 68.281 68.868 0.114 0.000 0.869 156 T HN -0.729 7.765 8.240 0.123 -0.180 0.466 157 F N 2.565 122.549 119.950 0.058 0.000 2.015 157 F HA -0.566 nan 4.527 nan 0.000 0.297 157 F C 0.213 176.057 175.800 0.073 0.000 1.141 157 F CA 2.775 60.810 58.000 0.057 0.000 1.192 157 F CB -0.198 38.826 39.000 0.040 0.000 0.957 157 F HN -0.207 8.291 8.300 0.330 0.000 0.491 158 A N -3.394 119.351 122.820 -0.126 0.000 2.042 158 A HA -0.452 nan 4.320 nan 0.000 0.222 158 A C 2.207 179.785 177.584 -0.009 0.000 1.167 158 A CA 3.114 55.081 52.037 -0.118 0.000 0.649 158 A CB -1.227 17.828 19.000 0.092 0.000 0.809 158 A HN -0.050 8.224 8.150 0.207 0.000 0.457 159 E N -1.627 118.566 120.200 -0.011 0.000 2.051 159 E HA -0.238 nan 4.350 nan 0.000 0.189 159 E C 2.070 178.643 176.600 -0.045 0.000 0.979 159 E CA 2.574 58.968 56.400 -0.011 0.000 0.803 159 E CB -0.298 29.407 29.700 0.008 0.000 0.761 159 E HN -0.560 7.670 8.360 0.013 0.137 0.451 160 K N -0.550 119.814 120.400 -0.060 0.000 2.026 160 K HA -0.305 nan 4.320 nan 0.000 0.208 160 K C 2.484 179.022 176.600 -0.105 0.000 1.048 160 K CA 3.020 59.268 56.287 -0.064 0.000 0.929 160 K CB -0.134 32.350 32.500 -0.028 0.000 0.713 160 K HN -0.509 7.712 8.250 -0.048 0.000 0.439 161 L N -0.746 120.355 121.223 -0.204 0.000 1.997 161 L HA -0.428 nan 4.340 nan 0.000 0.216 161 L C 1.319 178.185 176.870 -0.007 0.000 1.074 161 L CA 3.169 57.898 54.840 -0.184 0.000 0.763 161 L CB -0.573 41.249 42.059 -0.395 0.000 0.890 161 L HN 0.408 8.449 8.230 -0.316 0.000 0.434 162 K N -1.963 118.480 120.400 0.072 0.000 2.034 162 K HA -0.475 nan 4.320 nan 0.000 0.214 162 K C 2.121 178.628 176.600 -0.156 0.000 1.051 162 K CA 2.914 59.117 56.287 -0.140 0.000 0.931 162 K CB -0.531 31.823 32.500 -0.243 0.000 0.715 162 K HN -0.638 7.661 8.250 0.082 0.000 0.446 163 E N -1.490 118.638 120.200 -0.120 0.000 2.012 163 E HA -0.375 nan 4.350 nan 0.000 0.197 163 E C 2.312 178.837 176.600 -0.124 0.000 1.007 163 E CA 3.016 59.350 56.400 -0.111 0.000 0.816 163 E CB -0.003 29.642 29.700 -0.092 0.000 0.762 163 E HN -0.776 7.524 8.360 -0.101 0.000 0.451 164 V N 0.135 119.959 119.914 -0.150 0.000 2.828 164 V HA -0.300 nan 4.120 nan 0.000 0.260 164 V C 1.750 177.646 176.094 -0.330 0.000 1.101 164 V CA 3.157 65.324 62.300 -0.222 0.000 1.123 164 V CB -0.626 31.098 31.823 -0.166 0.000 0.704 164 V HN -0.279 7.835 8.190 -0.126 0.000 0.493 165 M N -2.751 116.680 119.600 -0.282 0.000 2.476 165 M HA -0.165 nan 4.480 nan 0.000 0.262 165 M C 1.569 177.799 176.300 -0.117 0.000 1.111 165 M CA 3.492 58.619 55.300 -0.287 0.000 1.127 165 M CB -0.136 32.351 32.600 -0.189 0.000 1.376 165 M HN -0.116 7.909 8.290 -0.208 0.141 0.465 166 E N 0.613 120.762 120.200 -0.084 0.000 2.250 166 E HA -0.237 nan 4.350 nan 0.000 0.192 166 E C 2.022 178.643 176.600 0.035 0.000 0.986 166 E CA 2.186 58.574 56.400 -0.020 0.000 0.849 166 E CB -0.788 28.887 29.700 -0.041 0.000 0.797 166 E HN -0.263 7.926 8.360 -0.108 0.105 0.482 167 Y N 2.112 122.336 120.300 -0.126 0.000 2.128 167 Y HA -0.521 nan 4.550 nan 0.000 0.284 167 Y C 1.851 177.769 175.900 0.030 0.000 1.154 167 Y CA 4.118 62.150 58.100 -0.114 0.000 1.149 167 Y CB 0.115 38.422 38.460 -0.254 0.000 0.976 167 Y HN -0.497 7.801 8.280 0.030 0.000 0.505 168 H N -2.961 116.124 119.070 0.025 0.000 2.326 168 H HA -0.247 nan 4.556 nan 0.000 0.301 168 H C 2.764 178.088 175.328 -0.006 0.000 1.081 168 H CA 2.917 58.957 56.048 -0.014 0.000 1.334 168 H CB -0.263 29.520 29.762 0.035 0.000 1.385 168 H HN -0.656 7.586 8.280 -0.063 0.000 0.504 169 N N -0.451 118.325 118.700 0.127 0.000 2.272 169 N HA -0.317 nan 4.740 nan 0.000 0.185 169 N C 2.075 177.629 175.510 0.073 0.000 1.014 169 N CA 3.049 56.150 53.050 0.085 0.000 0.870 169 N CB -0.411 38.111 38.487 0.057 0.000 0.975 169 N HN -0.232 8.202 8.380 0.090 0.000 0.433 170 F N 0.902 120.827 119.950 -0.042 0.000 2.134 170 F HA -0.346 nan 4.527 nan 0.000 0.299 170 F C 1.035 176.824 175.800 -0.019 0.000 1.097 170 F CA 4.266 62.234 58.000 -0.052 0.000 1.264 170 F CB 0.228 39.162 39.000 -0.110 0.000 1.001 170 F HN -0.248 8.147 8.300 0.190 0.018 0.479 171 Q N -1.418 118.390 119.800 0.013 0.000 2.083 171 Q HA -0.309 nan 4.340 nan 0.000 0.198 171 Q C 2.347 178.455 176.000 0.180 0.000 0.969 171 Q CA 3.098 58.938 55.803 0.061 0.000 0.838 171 Q CB -0.131 28.701 28.738 0.157 0.000 0.900 171 Q HN -0.776 7.466 8.270 0.106 0.091 0.436 172 L N -1.256 120.044 121.223 0.127 0.000 1.994 172 L HA -0.323 nan 4.340 nan 0.000 0.208 172 L C 2.415 179.334 176.870 0.083 0.000 1.071 172 L CA 3.376 58.292 54.840 0.128 0.000 0.745 172 L CB -0.162 41.936 42.059 0.065 0.000 0.892 172 L HN 0.230 8.518 8.230 0.098 0.000 0.431 173 V N -4.481 115.427 119.914 -0.011 0.000 2.788 173 V HA -0.157 nan 4.120 nan 0.000 0.251 173 V C 0.946 176.966 176.094 -0.124 0.000 1.068 173 V CA 3.260 65.529 62.300 -0.051 0.000 1.090 173 V CB -0.428 31.368 31.823 -0.044 0.000 0.710 173 V HN 0.010 8.184 8.190 -0.027 0.000 0.467 174 N N -0.895 117.650 118.700 -0.259 0.000 2.325 174 N HA -0.004 nan 4.740 nan 0.000 0.182 174 N C -0.174 175.224 175.510 -0.186 0.000 1.088 174 N CA 1.533 54.383 53.050 -0.333 0.000 0.879 174 N CB 1.456 39.488 38.487 -0.758 0.000 0.983 174 N HN -0.204 7.980 8.380 -0.327 0.000 0.471 175 Y N -1.552 118.595 120.300 -0.255 0.000 2.736 175 Y HA 0.049 nan 4.550 nan 0.000 0.272 175 Y C 0.591 176.290 175.900 -0.334 0.000 1.118 175 Y CA 1.868 59.797 58.100 -0.286 0.000 1.248 175 Y CB 1.840 40.103 38.460 -0.328 0.000 1.437 175 Y HN -0.505 7.774 8.280 -0.001 0.000 0.481 176 Y N -3.812 116.517 120.300 0.048 0.000 2.490 176 Y HA -0.066 nan 4.550 nan 0.000 0.285 176 Y C -0.493 175.371 175.900 -0.059 0.000 1.117 176 Y CA 1.952 60.047 58.100 -0.009 0.000 1.262 176 Y CB 0.698 39.202 38.460 0.073 0.000 1.043 176 Y HN -0.570 7.860 8.280 0.250 0.000 0.553 177 K N -6.008 114.413 120.400 0.035 0.000 3.117 177 K HA -0.357 nan 4.320 nan 0.000 0.269 177 K C -0.964 175.653 176.600 0.028 0.000 1.098 177 K CA 0.709 56.993 56.287 -0.005 0.000 0.785 177 K CB -2.419 30.055 32.500 -0.043 0.000 1.242 177 K HN -0.330 7.906 8.250 0.030 0.033 0.491 178 A N -1.951 120.907 122.820 0.064 0.000 2.282 178 A HA 0.318 nan 4.320 nan 0.000 0.324 178 A C -1.272 176.330 177.584 0.031 0.000 1.119 178 A CA -0.799 51.267 52.037 0.049 0.000 0.880 178 A CB 1.865 20.902 19.000 0.062 0.000 1.294 178 A HN -0.235 7.853 8.150 0.092 0.116 0.493 179 E N -0.479 119.735 120.200 0.023 0.000 2.398 179 E HA -0.121 nan 4.350 nan 0.000 0.263 179 E C -1.125 175.492 176.600 0.030 0.000 1.046 179 E CA -0.188 56.224 56.400 0.021 0.000 0.908 179 E CB 0.792 30.504 29.700 0.020 0.000 0.963 179 E HN 0.137 8.510 8.360 0.021 0.000 0.431 180 A N 2.093 124.931 122.820 0.030 0.000 2.354 180 A HA 0.150 nan 4.320 nan 0.000 0.269 180 A C -0.587 177.030 177.584 0.054 0.000 1.109 180 A CA -0.263 51.799 52.037 0.042 0.000 0.800 180 A CB 1.062 20.083 19.000 0.035 0.000 1.045 180 A HN 0.114 8.279 8.150 0.024 0.000 0.489 181 V N 1.607 121.566 119.914 0.075 0.000 2.546 181 V HA -0.047 nan 4.120 nan 0.000 0.284 181 V C -0.295 175.857 176.094 0.097 0.000 1.050 181 V CA -0.118 62.237 62.300 0.092 0.000 0.981 181 V CB 0.716 32.625 31.823 0.143 0.000 0.990 181 V HN 0.664 9.320 8.190 0.081 -0.417 0.474 182 D N 5.941 126.394 120.400 0.088 0.000 2.339 182 D HA -0.017 nan 4.640 nan 0.000 0.256 182 D C 0.095 176.470 176.300 0.125 0.000 1.214 182 D CA 0.173 54.233 54.000 0.100 0.000 0.877 182 D CB 1.628 42.471 40.800 0.071 0.000 1.111 182 D HN 0.144 8.558 8.370 0.074 0.000 0.478 183 Y N 8.021 128.329 120.300 0.012 0.000 2.097 183 Y HA -0.545 nan 4.550 nan 0.000 0.282 183 Y C 1.188 177.097 175.900 0.015 0.000 1.152 183 Y CA 4.286 62.386 58.100 -0.000 0.000 1.136 183 Y CB 0.197 38.637 38.460 -0.034 0.000 0.975 183 Y HN 0.440 8.870 8.280 0.250 0.000 0.498 184 Q N -1.638 118.202 119.800 0.067 0.000 2.152 184 Q HA -0.463 nan 4.340 nan 0.000 0.206 184 Q C 2.143 178.080 176.000 -0.106 0.000 0.985 184 Q CA 3.226 58.992 55.803 -0.063 0.000 0.863 184 Q CB -0.835 27.962 28.738 0.098 0.000 0.904 184 Q HN 0.209 8.724 8.270 0.297 -0.067 0.422 185 K N -0.444 119.934 120.400 -0.036 0.000 2.026 185 K HA -0.271 nan 4.320 nan 0.000 0.208 185 K C 2.106 178.684 176.600 -0.037 0.000 1.048 185 K CA 3.124 59.398 56.287 -0.021 0.000 0.929 185 K CB -0.475 32.031 32.500 0.010 0.000 0.713 185 K HN -0.693 7.729 8.250 0.008 -0.168 0.439 186 V N 0.337 120.224 119.914 -0.046 0.000 2.343 186 V HA -0.370 nan 4.120 nan 0.000 0.247 186 V C 2.165 178.241 176.094 -0.029 0.000 1.051 186 V CA 4.291 66.584 62.300 -0.012 0.000 1.036 186 V CB -0.990 30.861 31.823 0.047 0.000 0.654 186 V HN -0.672 7.493 8.190 -0.042 0.000 0.451 187 L N -0.370 120.745 121.223 -0.179 0.000 2.017 187 L HA -0.411 nan 4.340 nan 0.000 0.208 187 L C 1.378 178.252 176.870 0.006 0.000 1.073 187 L CA 3.762 58.543 54.840 -0.099 0.000 0.745 187 L CB -0.434 41.415 42.059 -0.350 0.000 0.894 187 L HN 0.100 8.124 8.230 -0.345 0.000 0.432 188 D N -0.669 119.707 120.400 -0.042 0.000 2.117 188 D HA -0.339 nan 4.640 nan 0.000 0.198 188 D C 2.451 178.748 176.300 -0.004 0.000 0.982 188 D CA 4.267 58.259 54.000 -0.013 0.000 0.828 188 D CB -0.469 40.322 40.800 -0.015 0.000 0.967 188 D HN 0.076 8.392 8.370 -0.089 0.000 0.464 189 D N 0.064 120.462 120.400 -0.004 0.000 2.097 189 D HA -0.188 nan 4.640 nan 0.000 0.195 189 D C 2.431 178.727 176.300 -0.005 0.000 0.989 189 D CA 3.142 57.139 54.000 -0.004 0.000 0.827 189 D CB -0.246 40.553 40.800 -0.001 0.000 0.966 189 D HN 0.553 8.666 8.370 -0.011 0.251 0.456 190 T N 2.355 116.922 114.554 0.023 0.000 2.746 190 T HA -0.232 nan 4.350 nan 0.000 0.267 190 T C 2.252 176.908 174.700 -0.073 0.000 1.039 190 T CA 4.010 66.111 62.100 0.000 0.000 1.142 190 T CB -0.178 68.764 68.868 0.123 0.000 0.866 190 T HN 0.036 8.195 8.240 0.048 0.110 0.444 191 M N -1.112 118.470 119.600 -0.029 0.000 2.358 191 M HA -0.239 nan 4.480 nan 0.000 0.264 191 M C 1.668 177.932 176.300 -0.060 0.000 1.064 191 M CA 1.226 56.491 55.300 -0.059 0.000 1.093 191 M CB -1.571 31.028 32.600 -0.002 0.000 1.401 191 M HN 0.468 8.666 8.290 0.033 0.112 0.440 192 A N -1.331 121.463 122.820 -0.043 0.000 1.873 192 A HA -0.137 nan 4.320 nan 0.000 0.215 192 A C 1.781 179.332 177.584 -0.054 0.000 1.186 192 A CA 2.722 54.735 52.037 -0.040 0.000 0.616 192 A CB -0.454 18.529 19.000 -0.028 0.000 0.823 192 A HN -0.559 7.445 8.150 -0.032 0.127 0.442 193 V N -3.420 116.453 119.914 -0.068 0.000 3.633 193 V HA 0.029 nan 4.120 nan 0.000 0.283 193 V C 1.207 177.235 176.094 -0.110 0.000 1.305 193 V CA -0.338 61.916 62.300 -0.077 0.000 1.153 193 V CB -2.002 29.777 31.823 -0.074 0.000 0.950 193 V HN -0.248 7.902 8.190 -0.066 0.000 0.432 194 A N 0.753 123.492 122.820 -0.135 0.000 1.883 194 A HA -0.342 nan 4.320 nan 0.000 0.217 194 A C 1.410 178.898 177.584 -0.160 0.000 1.186 194 A CA 3.775 55.699 52.037 -0.188 0.000 0.624 194 A CB -0.502 18.364 19.000 -0.222 0.000 0.822 194 A HN -0.452 7.439 8.150 -0.119 0.188 0.444 195 D N -2.610 117.726 120.400 -0.107 0.000 2.123 195 D HA -0.308 nan 4.640 nan 0.000 0.196 195 D C 1.844 178.098 176.300 -0.076 0.000 0.992 195 D CA 2.672 56.626 54.000 -0.076 0.000 0.833 195 D CB -1.228 39.545 40.800 -0.046 0.000 0.954 195 D HN 0.363 8.677 8.370 -0.092 0.000 0.455 196 I N -0.372 120.152 120.570 -0.076 0.000 2.252 196 I HA -0.379 nan 4.170 nan 0.000 0.245 196 I C 2.147 178.216 176.117 -0.080 0.000 1.102 196 I CA 2.938 64.200 61.300 -0.065 0.000 1.385 196 I CB -0.168 37.799 38.000 -0.055 0.000 1.064 196 I HN -0.583 7.571 8.210 -0.077 0.009 0.414 197 L N -0.663 120.491 121.223 -0.116 0.000 2.005 197 L HA -0.392 nan 4.340 nan 0.000 0.207 197 L C 2.712 179.487 176.870 -0.158 0.000 1.072 197 L CA 3.496 58.257 54.840 -0.132 0.000 0.744 197 L CB -0.839 41.123 42.059 -0.162 0.000 0.895 197 L HN 0.054 8.208 8.230 -0.126 0.000 0.433 198 T N -3.685 110.723 114.554 -0.243 0.000 2.897 198 T HA -0.306 nan 4.350 nan 0.000 0.271 198 T C 2.865 177.523 174.700 -0.069 0.000 1.084 198 T CA 3.654 65.572 62.100 -0.304 0.000 1.123 198 T CB -0.806 67.751 68.868 -0.518 0.000 0.865 198 T HN -0.096 7.993 8.240 -0.253 0.000 0.496 199 S N 3.864 119.537 115.700 -0.045 0.000 2.447 199 S HA -0.165 nan 4.470 nan 0.000 0.233 199 S C 0.809 175.419 174.600 0.016 0.000 1.006 199 S CA 2.851 61.053 58.200 0.004 0.000 0.957 199 S CB -0.406 62.790 63.200 -0.007 0.000 0.773 199 S HN -0.346 7.892 8.310 -0.073 0.029 0.507 200 M N -1.162 118.438 119.600 -0.001 0.000 2.465 200 M HA 0.100 nan 4.480 nan 0.000 0.249 200 M C -0.472 175.850 176.300 0.037 0.000 1.130 200 M CA 0.092 55.400 55.300 0.014 0.000 1.067 200 M CB 1.126 33.725 32.600 -0.002 0.000 1.394 200 M HN -0.181 7.925 8.290 -0.031 0.166 0.483 201 V N 0.848 120.791 119.914 0.049 0.000 2.763 201 V HA 0.026 nan 4.120 nan 0.000 0.306 201 V C -0.260 175.904 176.094 0.118 0.000 1.059 201 V CA 1.954 64.313 62.300 0.100 0.000 1.138 201 V CB -0.146 31.781 31.823 0.173 0.000 0.940 201 V HN -0.763 7.330 8.190 0.024 0.112 0.489 202 V N 5.112 125.088 119.914 0.103 0.000 3.232 202 V HA 0.201 nan 4.120 nan 0.000 0.303 202 V C -1.322 174.814 176.094 0.071 0.000 1.311 202 V CA -1.079 61.269 62.300 0.080 0.000 1.061 202 V CB 4.894 36.757 31.823 0.067 0.000 1.085 202 V HN 0.254 8.504 8.190 0.099 0.000 0.447 203 D N 3.699 124.129 120.400 0.050 0.000 2.517 203 D HA 0.199 nan 4.640 nan 0.000 0.220 203 D C 0.939 177.260 176.300 0.035 0.000 1.158 203 D CA -0.493 53.532 54.000 0.042 0.000 0.992 203 D CB -0.730 40.086 40.800 0.027 0.000 1.058 203 D HN 0.113 8.509 8.370 0.044 0.000 0.516 204 V N 4.563 124.506 119.914 0.048 0.000 2.317 204 V HA -0.520 nan 4.120 nan 0.000 0.251 204 V C 1.530 177.646 176.094 0.037 0.000 1.065 204 V CA 3.600 65.927 62.300 0.046 0.000 1.049 204 V CB -0.357 31.512 31.823 0.077 0.000 0.651 204 V HN -0.214 8.012 8.190 0.061 0.000 0.450 205 S N -0.612 115.116 115.700 0.048 0.000 2.351 205 S HA -0.448 nan 4.470 nan 0.000 0.220 205 S C 1.790 176.406 174.600 0.027 0.000 1.035 205 S CA 3.721 61.950 58.200 0.049 0.000 1.031 205 S CB -0.564 62.665 63.200 0.049 0.000 0.928 205 S HN -0.105 8.296 8.310 0.052 -0.060 0.433 206 D N 1.995 122.404 120.400 0.015 0.000 2.084 206 D HA -0.206 nan 4.640 nan 0.000 0.194 206 D C 2.123 178.407 176.300 -0.028 0.000 0.990 206 D CA 3.104 57.104 54.000 -0.000 0.000 0.826 206 D CB 0.364 41.166 40.800 0.003 0.000 0.971 206 D HN -0.778 7.893 8.370 0.022 -0.287 0.453 207 L N 0.532 121.732 121.223 -0.038 0.000 1.990 207 L HA -0.367 nan 4.340 nan 0.000 0.213 207 L C 1.803 178.559 176.870 -0.190 0.000 1.072 207 L CA 3.350 58.133 54.840 -0.094 0.000 0.755 207 L CB -0.129 41.884 42.059 -0.077 0.000 0.889 207 L HN 0.188 8.409 8.230 -0.015 0.000 0.432 208 L N -3.008 118.116 121.223 -0.165 0.000 2.046 208 L HA -0.510 nan 4.340 nan 0.000 0.208 208 L C 2.047 178.855 176.870 -0.104 0.000 1.077 208 L CA 3.319 58.049 54.840 -0.184 0.000 0.747 208 L CB -0.856 41.184 42.059 -0.031 0.000 0.896 208 L HN 0.136 8.310 8.230 -0.092 0.000 0.432 209 D N -1.046 119.326 120.400 -0.048 0.000 2.149 209 D HA -0.349 nan 4.640 nan 0.000 0.198 209 D C 2.262 178.517 176.300 -0.076 0.000 0.990 209 D CA 3.581 57.552 54.000 -0.048 0.000 0.839 209 D CB 0.060 40.853 40.800 -0.011 0.000 0.948 209 D HN -0.049 8.305 8.370 -0.025 0.000 0.460 210 Q N -1.534 118.223 119.800 -0.072 0.000 2.079 210 Q HA -0.322 nan 4.340 nan 0.000 0.200 210 Q C 2.574 178.537 176.000 -0.061 0.000 0.974 210 Q CA 2.691 58.458 55.803 -0.059 0.000 0.840 210 Q CB -0.340 28.372 28.738 -0.044 0.000 0.898 210 Q HN 0.290 8.518 8.270 -0.070 0.000 0.430 211 A N -0.142 122.613 122.820 -0.109 0.000 1.883 211 A HA -0.360 nan 4.320 nan 0.000 0.217 211 A C 1.931 179.505 177.584 -0.016 0.000 1.186 211 A CA 3.156 55.154 52.037 -0.066 0.000 0.624 211 A CB -0.852 18.003 19.000 -0.241 0.000 0.822 211 A HN 0.058 8.041 8.150 -0.174 0.063 0.444 212 R N -1.147 119.324 120.500 -0.048 0.000 2.080 212 R HA -0.346 nan 4.340 nan 0.000 0.236 212 R C 2.741 179.005 176.300 -0.059 0.000 1.137 212 R CA 3.214 59.287 56.100 -0.045 0.000 0.943 212 R CB -0.065 30.170 30.300 -0.108 0.000 0.846 212 R HN 0.132 8.355 8.270 -0.078 0.000 0.431 213 Q N -2.842 116.908 119.800 -0.082 0.000 2.364 213 Q HA -0.160 nan 4.340 nan 0.000 0.207 213 Q C 1.847 177.829 176.000 -0.030 0.000 0.970 213 Q CA 2.284 58.047 55.803 -0.067 0.000 0.888 213 Q CB -0.262 28.432 28.738 -0.073 0.000 0.951 213 Q HN -0.274 7.941 8.270 -0.093 0.000 0.469 214 R N -1.298 119.193 120.500 -0.015 0.000 2.200 214 R HA -0.006 nan 4.340 nan 0.000 0.208 214 R C 0.800 177.106 176.300 0.009 0.000 1.033 214 R CA 0.583 56.683 56.100 -0.001 0.000 1.000 214 R CB 0.915 31.222 30.300 0.012 0.000 0.906 214 R HN -0.132 7.990 8.270 -0.019 0.137 0.462 215 G N -2.232 106.584 108.800 0.027 0.000 2.141 215 G HA2 -0.393 nan 3.960 nan 0.000 0.231 215 G HA3 -0.393 nan 3.960 nan 0.000 0.231 215 G C -0.341 174.616 174.900 0.095 0.000 0.984 215 G CA -0.250 44.887 45.100 0.062 0.000 0.660 215 G HN -0.178 7.986 8.290 0.021 0.139 0.525 216 D N 0.642 121.094 120.400 0.088 0.000 2.382 216 D HA -0.042 nan 4.640 nan 0.000 0.240 216 D C -0.651 175.794 176.300 0.242 0.000 1.146 216 D CA 0.859 54.915 54.000 0.094 0.000 0.897 216 D CB 0.685 41.588 40.800 0.172 0.000 1.197 216 D HN -0.218 8.198 8.370 0.077 0.000 0.432 217 F N -0.060 119.837 119.950 -0.087 0.000 2.467 217 F HA 0.097 nan 4.527 nan 0.000 0.362 217 F C -0.168 175.646 175.800 0.022 0.000 1.090 217 F CA -1.136 56.759 58.000 -0.174 0.000 1.202 217 F CB 0.373 38.912 39.000 -0.769 0.000 1.113 217 F HN 0.126 8.410 8.300 -0.028 0.000 0.541 218 V N 5.478 125.596 119.914 0.339 0.000 2.656 218 V HA 0.633 nan 4.120 nan 0.000 0.307 218 V C -2.121 174.043 176.094 0.116 0.000 1.051 218 V CA -1.458 60.937 62.300 0.158 0.000 0.893 218 V CB 3.173 34.946 31.823 -0.084 0.000 0.999 218 V HN 1.076 9.510 8.190 0.407 0.000 0.426 219 M N 5.473 125.087 119.600 0.024 0.000 2.181 219 M HA 0.754 nan 4.480 nan 0.000 0.323 219 M C -2.116 174.124 176.300 -0.100 0.000 1.004 219 M CA -1.533 53.786 55.300 0.032 0.000 0.941 219 M CB 3.250 35.953 32.600 0.172 0.000 1.579 219 M HN 0.456 8.767 8.290 0.034 0.000 0.427 220 F N 5.620 125.663 119.950 0.155 0.000 2.404 220 F HA 0.539 nan 4.527 nan 0.000 0.339 220 F C -1.266 174.689 175.800 0.258 0.000 1.105 220 F CA -1.016 57.108 58.000 0.205 0.000 1.087 220 F CB 1.248 40.307 39.000 0.099 0.000 1.143 220 F HN 1.248 9.590 8.300 0.268 0.119 0.491 221 E N 1.524 122.016 120.200 0.487 0.000 2.218 221 E HA 0.659 nan 4.350 nan 0.000 0.263 221 E C -0.255 176.467 176.600 0.204 0.000 0.879 221 E CA -2.327 54.266 56.400 0.321 0.000 0.762 221 E CB 2.228 32.042 29.700 0.189 0.000 1.166 221 E HN 0.380 9.038 8.360 0.498 0.000 0.415 222 G N 1.867 110.788 108.800 0.202 0.000 2.527 222 G HA2 0.123 nan 3.960 nan 0.000 0.248 222 G HA3 0.123 nan 3.960 nan 0.000 0.248 222 G C -1.119 173.768 174.900 -0.021 0.000 1.231 222 G CA -0.458 44.649 45.100 0.013 0.000 0.838 222 G HN 0.915 9.250 8.290 0.258 0.109 0.570 223 A N 1.407 124.179 122.820 -0.080 0.000 2.192 223 A HA 0.203 nan 4.320 nan 0.000 0.208 223 A C -1.422 176.165 177.584 0.005 0.000 1.220 223 A CA 0.548 52.574 52.037 -0.019 0.000 0.900 223 A CB 1.351 20.334 19.000 -0.030 0.000 0.937 223 A HN 0.244 8.547 8.150 -0.157 -0.247 0.487 224 Q N -2.448 117.351 119.800 -0.001 0.000 2.413 224 Q HA 0.165 nan 4.340 nan 0.000 0.276 224 Q C -0.347 175.665 176.000 0.020 0.000 1.099 224 Q CA -1.431 54.381 55.803 0.015 0.000 0.814 224 Q CB 3.012 31.759 28.738 0.014 0.000 1.379 224 Q HN -0.711 7.548 8.270 -0.019 0.000 0.436 225 G N 0.437 109.249 108.800 0.020 0.000 2.559 225 G HA2 -0.132 nan 3.960 nan 0.000 0.235 225 G HA3 -0.132 nan 3.960 nan 0.000 0.235 225 G C 0.418 175.308 174.900 -0.017 0.000 1.266 225 G CA -0.074 45.023 45.100 -0.004 0.000 0.847 225 G HN 0.135 8.442 8.290 0.030 0.000 0.583 226 T N 5.753 120.277 114.554 -0.050 0.000 2.684 226 T HA -0.334 nan 4.350 nan 0.000 0.267 226 T C 2.480 177.149 174.700 -0.051 0.000 1.036 226 T CA 4.838 66.914 62.100 -0.041 0.000 1.148 226 T CB -0.110 68.722 68.868 -0.061 0.000 0.863 226 T HN 0.184 8.387 8.240 -0.062 0.000 0.436 227 L N -1.012 120.114 121.223 -0.162 0.000 2.622 227 L HA -0.171 nan 4.340 nan 0.000 0.233 227 L C 0.534 177.428 176.870 0.039 0.000 1.156 227 L CA 2.063 56.824 54.840 -0.132 0.000 0.866 227 L CB -0.830 40.943 42.059 -0.476 0.000 0.980 227 L HN 0.132 8.199 8.230 -0.272 0.000 0.448 228 L N -3.122 118.132 121.223 0.052 0.000 2.592 228 L HA -0.054 nan 4.340 nan 0.000 0.227 228 L C -0.402 176.504 176.870 0.060 0.000 1.127 228 L CA -0.609 54.279 54.840 0.080 0.000 0.884 228 L CB -0.191 41.908 42.059 0.067 0.000 1.065 228 L HN -0.726 7.444 8.230 0.016 0.070 0.457 229 D N 0.867 121.308 120.400 0.067 0.000 2.487 229 D HA -0.217 nan 4.640 nan 0.000 0.243 229 D C 0.905 177.249 176.300 0.075 0.000 1.154 229 D CA 1.743 55.786 54.000 0.072 0.000 0.876 229 D CB 1.443 42.308 40.800 0.108 0.000 1.161 229 D HN -0.447 7.892 8.370 0.065 0.069 0.478 230 I N 6.447 127.043 120.570 0.044 0.000 2.423 230 I HA -0.375 nan 4.170 nan 0.000 0.254 230 I C 0.261 176.424 176.117 0.076 0.000 1.151 230 I CA 2.587 63.921 61.300 0.056 0.000 1.421 230 I CB 0.113 38.110 38.000 -0.005 0.000 1.079 230 I HN -0.049 8.174 8.210 0.021 0.000 0.431 231 D N -2.579 117.825 120.400 0.007 0.000 2.422 231 D HA -0.005 nan 4.640 nan 0.000 0.218 231 D C 0.807 176.857 176.300 -0.417 0.000 1.047 231 D CA 1.852 55.751 54.000 -0.167 0.000 0.885 231 D CB 1.969 42.662 40.800 -0.179 0.000 1.035 231 D HN -0.025 8.656 8.370 0.036 -0.290 0.502 232 H N -2.497 116.625 119.070 0.086 0.000 3.058 232 H HA 0.357 nan 4.556 nan 0.000 0.266 232 H C -0.107 175.299 175.328 0.131 0.000 1.135 232 H CA 0.056 56.160 56.048 0.094 0.000 1.174 232 H CB 2.577 32.372 29.762 0.056 0.000 1.581 232 H HN 0.027 8.674 8.280 0.091 -0.312 0.553 233 G N -1.485 107.427 108.800 0.187 0.000 2.642 233 G HA2 0.358 nan 3.960 nan 0.000 0.291 233 G HA3 0.358 nan 3.960 nan 0.000 0.291 233 G C -0.713 174.317 174.900 0.217 0.000 1.345 233 G CA -1.047 44.163 45.100 0.184 0.000 1.043 233 G HN -0.489 7.891 8.290 0.150 0.000 0.528 234 T N -0.373 114.279 114.554 0.162 0.000 3.826 234 T HA -0.015 nan 4.350 nan 0.000 0.239 234 T C -0.163 174.671 174.700 0.224 0.000 1.007 234 T CA -0.654 61.523 62.100 0.127 0.000 1.171 234 T CB -2.039 66.719 68.868 -0.183 0.000 1.153 234 T HN -0.197 8.125 8.240 0.137 0.000 0.854 235 Y N 6.719 127.102 120.300 0.139 0.000 2.811 235 Y HA -0.210 nan 4.550 nan 0.000 0.334 235 Y C -1.169 174.800 175.900 0.115 0.000 1.247 235 Y CA -0.147 58.005 58.100 0.085 0.000 1.526 235 Y CB 0.130 38.627 38.460 0.062 0.000 1.284 235 Y HN -0.173 8.293 8.280 0.377 0.040 0.586 236 P HA 0.077 nan 4.420 nan 0.000 0.263 236 P C -1.530 175.361 177.300 -0.683 0.000 1.448 236 P CA 0.356 62.847 63.100 -1.015 0.000 0.983 236 P CB 0.472 31.616 31.700 -0.928 0.000 1.481 237 Y N 2.518 122.696 120.300 -0.204 0.000 2.889 237 Y HA -0.081 nan 4.550 nan 0.000 0.367 237 Y C -1.163 174.675 175.900 -0.105 0.000 1.197 237 Y CA 0.357 58.373 58.100 -0.140 0.000 1.993 237 Y CB -2.829 35.557 38.460 -0.123 0.000 2.112 237 Y HN 0.399 8.528 8.280 0.026 0.167 0.413 238 V N -6.009 113.845 119.914 -0.100 0.000 3.156 238 V HA 0.586 nan 4.120 nan 0.000 0.311 238 V C -1.141 174.917 176.094 -0.060 0.000 1.208 238 V CA -3.040 59.237 62.300 -0.039 0.000 1.063 238 V CB 3.201 35.009 31.823 -0.024 0.000 1.098 238 V HN -0.002 7.967 8.190 -0.245 0.074 0.452 239 T N -0.320 114.220 114.554 -0.024 0.000 2.884 239 T HA 0.327 nan 4.350 nan 0.000 0.277 239 T C -0.110 174.567 174.700 -0.037 0.000 0.976 239 T CA -1.885 60.202 62.100 -0.023 0.000 0.956 239 T CB 0.955 69.822 68.868 -0.002 0.000 1.113 239 T HN 0.358 8.495 8.240 -0.001 0.102 0.554 240 S N 0.116 115.800 115.700 -0.025 0.000 2.593 240 S HA 0.001 nan 4.470 nan 0.000 0.217 240 S C -1.044 173.391 174.600 -0.276 0.000 0.966 240 S CA 1.065 59.230 58.200 -0.057 0.000 0.914 240 S CB 0.152 63.399 63.200 0.078 0.000 0.776 240 S HN 0.490 8.804 8.310 0.006 0.000 0.523 241 S N 0.232 115.797 115.700 -0.226 0.000 2.627 241 S HA 0.206 nan 4.470 nan 0.000 0.283 241 S C -1.628 172.897 174.600 -0.125 0.000 1.127 241 S CA -1.359 56.642 58.200 -0.331 0.000 0.863 241 S CB 2.270 65.325 63.200 -0.243 0.000 1.121 241 S HN -0.778 7.406 8.310 -0.103 0.065 0.479 242 N N 1.078 119.727 118.700 -0.084 0.000 2.513 242 N HA 0.085 nan 4.740 nan 0.000 0.268 242 N C 0.077 175.618 175.510 0.052 0.000 1.180 242 N CA 0.978 54.035 53.050 0.011 0.000 0.948 242 N CB 0.405 38.915 38.487 0.038 0.000 1.083 242 N HN 0.170 8.471 8.380 -0.131 0.000 0.455 243 T N -1.480 113.115 114.554 0.068 0.000 2.969 243 T HA 0.215 nan 4.350 nan 0.000 0.250 243 T C 1.042 175.819 174.700 0.128 0.000 1.021 243 T CA 0.200 62.347 62.100 0.078 0.000 1.003 243 T CB 1.660 70.554 68.868 0.043 0.000 1.040 243 T HN 0.432 9.049 8.240 0.068 -0.336 0.492 244 T N 0.575 115.192 114.554 0.105 0.000 2.652 244 T HA 0.035 nan 4.350 nan 0.000 0.319 244 T C 1.301 176.052 174.700 0.086 0.000 1.029 244 T CA -0.215 61.931 62.100 0.077 0.000 0.990 244 T CB 0.772 69.659 68.868 0.032 0.000 1.098 244 T HN -0.727 7.787 8.240 0.093 -0.219 0.520 245 A N -0.602 122.217 122.820 -0.001 0.000 2.014 245 A HA -0.043 nan 4.320 nan 0.000 0.218 245 A C 1.864 179.350 177.584 -0.163 0.000 1.163 245 A CA 2.606 54.583 52.037 -0.101 0.000 0.652 245 A CB -0.297 18.633 19.000 -0.117 0.000 0.808 245 A HN 0.208 8.648 8.150 -0.013 -0.299 0.449 246 G N -2.521 106.221 108.800 -0.096 0.000 2.501 246 G HA2 -0.298 nan 3.960 nan 0.000 0.220 246 G HA3 -0.298 nan 3.960 nan 0.000 0.220 246 G C 0.412 175.256 174.900 -0.093 0.000 1.114 246 G CA 1.286 46.327 45.100 -0.099 0.000 0.757 246 G HN -0.395 7.834 8.290 -0.060 0.025 0.559 247 G N -1.354 107.415 108.800 -0.052 0.000 3.042 247 G HA2 0.080 nan 3.960 nan 0.000 0.212 247 G HA3 0.080 nan 3.960 nan 0.000 0.212 247 G C 0.720 175.552 174.900 -0.114 0.000 1.166 247 G CA 0.028 45.144 45.100 0.025 0.000 0.767 247 G HN -0.734 7.480 8.290 -0.019 0.064 0.546 248 V N 2.079 121.695 119.914 -0.497 0.000 2.407 248 V HA -0.265 nan 4.120 nan 0.000 0.245 248 V C 1.512 177.317 176.094 -0.480 0.000 1.041 248 V CA 4.156 65.929 62.300 -0.879 0.000 1.040 248 V CB -0.619 30.541 31.823 -1.105 0.000 0.671 248 V HN 0.494 8.248 8.190 -0.432 0.177 0.455 249 A N -2.042 120.584 122.820 -0.324 0.000 1.969 249 A HA -0.257 nan 4.320 nan 0.000 0.218 249 A C 2.142 179.669 177.584 -0.095 0.000 1.169 249 A CA 3.425 55.344 52.037 -0.198 0.000 0.635 249 A CB -0.673 18.229 19.000 -0.164 0.000 0.810 249 A HN 0.203 8.164 8.150 -0.314 0.000 0.445 250 T N -0.990 113.524 114.554 -0.067 0.000 2.809 250 T HA -0.099 nan 4.350 nan 0.000 0.260 250 T C 1.417 176.152 174.700 0.059 0.000 1.039 250 T CA 4.145 66.247 62.100 0.003 0.000 1.141 250 T CB 0.071 68.947 68.868 0.013 0.000 0.869 250 T HN -0.065 8.091 8.240 -0.101 0.024 0.437 251 G N -1.325 107.536 108.800 0.102 0.000 3.262 251 G HA2 0.202 nan 3.960 nan 0.000 0.228 251 G HA3 0.202 nan 3.960 nan 0.000 0.228 251 G C -0.693 174.323 174.900 0.194 0.000 1.197 251 G CA 0.104 45.318 45.100 0.191 0.000 0.819 251 G HN -0.004 8.225 8.290 0.083 0.111 0.531 252 S N -0.032 115.738 115.700 0.116 0.000 3.084 252 S HA 0.112 nan 4.470 nan 0.000 0.262 252 S C 0.166 174.830 174.600 0.107 0.000 1.081 252 S CA -0.034 58.254 58.200 0.147 0.000 0.855 252 S CB 2.584 65.882 63.200 0.164 0.000 0.857 252 S HN -0.858 7.393 8.310 0.059 0.094 0.449 253 G N 0.706 109.542 108.800 0.060 0.000 2.140 253 G HA2 -0.258 nan 3.960 nan 0.000 0.211 253 G HA3 -0.258 nan 3.960 nan 0.000 0.211 253 G C -1.189 173.746 174.900 0.058 0.000 1.013 253 G CA 0.111 45.242 45.100 0.052 0.000 0.705 253 G HN -0.136 8.063 8.290 0.027 0.107 0.508 254 L N 0.926 122.178 121.223 0.047 0.000 2.295 254 L HA 0.231 nan 4.340 nan 0.000 0.281 254 L C -0.342 176.538 176.870 0.017 0.000 1.018 254 L CA -1.155 53.739 54.840 0.091 0.000 0.841 254 L CB 1.471 43.627 42.059 0.163 0.000 1.218 254 L HN -0.921 7.313 8.230 0.006 0.000 0.424 255 G N 6.054 114.867 108.800 0.021 0.000 2.257 255 G HA2 -0.066 nan 3.960 nan 0.000 0.235 255 G HA3 -0.066 nan 3.960 nan 0.000 0.235 255 G C -0.203 174.541 174.900 -0.259 0.000 1.225 255 G CA -1.039 43.971 45.100 -0.151 0.000 0.878 255 G HN 0.253 8.602 8.290 0.097 0.000 0.505 256 P HA -0.327 nan 4.420 nan 0.000 0.217 256 P C 1.682 178.832 177.300 -0.250 0.000 1.162 256 P CA 2.462 65.425 63.100 -0.229 0.000 0.901 256 P CB 0.149 31.738 31.700 -0.186 0.000 0.793 257 R N -2.644 117.640 120.500 -0.361 0.000 2.211 257 R HA -0.198 nan 4.340 nan 0.000 0.240 257 R C 1.733 177.929 176.300 -0.174 0.000 1.144 257 R CA 2.239 58.157 56.100 -0.303 0.000 0.992 257 R CB -0.472 29.614 30.300 -0.357 0.000 0.869 257 R HN 0.357 8.372 8.270 -0.424 0.000 0.462 258 Y N -3.789 116.500 120.300 -0.019 0.000 2.477 258 Y HA -0.036 nan 4.550 nan 0.000 0.303 258 Y C -0.207 175.710 175.900 0.028 0.000 1.202 258 Y CA -1.153 56.955 58.100 0.013 0.000 1.282 258 Y CB -1.201 37.279 38.460 0.032 0.000 1.071 258 Y HN -0.589 7.368 8.280 -0.460 0.048 0.510 259 V N -0.022 119.940 119.914 0.080 0.000 2.406 259 V HA -0.119 nan 4.120 nan 0.000 0.272 259 V C -0.083 176.053 176.094 0.070 0.000 1.043 259 V CA 0.082 62.411 62.300 0.049 0.000 0.915 259 V CB -0.683 31.097 31.823 -0.071 0.000 0.988 259 V HN -0.394 7.720 8.190 -0.002 0.075 0.466 260 D N 6.902 127.370 120.400 0.114 0.000 2.269 260 D HA 0.095 nan 4.640 nan 0.000 0.220 260 D C -1.048 175.315 176.300 0.105 0.000 0.962 260 D CA 2.624 56.688 54.000 0.105 0.000 0.884 260 D CB 1.502 42.377 40.800 0.126 0.000 1.023 260 D HN 0.108 8.568 8.370 0.151 0.000 0.484 261 Y N -2.312 117.962 120.300 -0.044 0.000 2.492 261 Y HA 0.128 nan 4.550 nan 0.000 0.346 261 Y C -2.673 173.176 175.900 -0.085 0.000 0.997 261 Y CA -0.712 57.337 58.100 -0.085 0.000 1.025 261 Y CB 3.637 42.019 38.460 -0.129 0.000 1.263 261 Y HN -0.627 7.759 8.280 0.176 0.000 0.454 262 V N 6.929 126.768 119.914 -0.125 0.000 2.443 262 V HA 0.457 nan 4.120 nan 0.000 0.293 262 V C -2.148 173.896 176.094 -0.084 0.000 1.021 262 V CA -1.161 61.111 62.300 -0.047 0.000 0.848 262 V CB 1.912 33.657 31.823 -0.130 0.000 0.998 262 V HN -0.304 7.557 8.190 -0.547 0.000 0.424 263 L N 8.516 129.824 121.223 0.143 0.000 2.276 263 L HA 0.671 nan 4.340 nan 0.000 0.286 263 L C -1.223 175.714 176.870 0.113 0.000 1.024 263 L CA -1.560 53.390 54.840 0.184 0.000 0.826 263 L CB 3.252 45.485 42.059 0.290 0.000 1.211 263 L HN 1.135 9.349 8.230 0.163 0.114 0.422 264 G N 7.091 115.946 108.800 0.093 0.000 2.365 264 G HA2 0.263 nan 3.960 nan 0.000 0.293 264 G HA3 0.263 nan 3.960 nan 0.000 0.293 264 G C -1.013 174.055 174.900 0.279 0.000 1.128 264 G CA -0.853 44.368 45.100 0.203 0.000 0.971 264 G HN 0.837 9.129 8.290 0.003 0.000 0.422 265 I N 7.649 128.315 120.570 0.159 0.000 2.406 265 I HA 0.112 nan 4.170 nan 0.000 0.293 265 I C -1.499 174.651 176.117 0.055 0.000 1.101 265 I CA -0.989 60.375 61.300 0.107 0.000 1.334 265 I CB -1.481 36.562 38.000 0.071 0.000 1.421 265 I HN 1.085 9.261 8.210 0.127 0.110 0.513 266 L N 9.578 130.808 121.223 0.012 0.000 2.325 266 L HA 0.551 nan 4.340 nan 0.000 0.281 266 L C -2.358 174.448 176.870 -0.107 0.000 1.004 266 L CA -1.695 53.067 54.840 -0.130 0.000 0.823 266 L CB 3.325 45.116 42.059 -0.447 0.000 1.236 266 L HN 0.972 9.124 8.230 0.048 0.106 0.415 267 K N 7.283 127.613 120.400 -0.118 0.000 2.270 267 K HA 0.036 nan 4.320 nan 0.000 0.276 267 K C 0.048 176.604 176.600 -0.073 0.000 1.023 267 K CA 0.136 56.340 56.287 -0.139 0.000 0.955 267 K CB 1.299 33.621 32.500 -0.296 0.000 0.975 267 K HN 0.904 9.546 8.250 -0.127 -0.468 0.471 268 A N 5.665 128.520 122.820 0.058 0.000 2.032 268 A HA -0.306 nan 4.320 nan 0.000 0.221 268 A C -1.413 176.425 177.584 0.424 0.000 1.165 268 A CA 2.703 54.923 52.037 0.305 0.000 0.645 268 A CB 0.214 19.473 19.000 0.431 0.000 0.807 268 A HN 0.840 9.030 8.150 0.065 0.000 0.453 269 Y N -8.331 112.100 120.300 0.218 0.000 2.715 269 Y HA 0.660 nan 4.550 nan 0.000 0.331 269 Y C -2.076 173.966 175.900 0.236 0.000 1.197 269 Y CA -4.215 54.036 58.100 0.252 0.000 1.079 269 Y CB 2.293 40.867 38.460 0.190 0.000 1.298 269 Y HN -0.893 7.134 8.280 -0.351 0.043 0.477 270 S N 0.283 116.188 115.700 0.342 0.000 2.608 270 S HA 0.310 nan 4.470 nan 0.000 0.291 270 S C -1.430 173.332 174.600 0.270 0.000 1.146 270 S CA -0.657 57.746 58.200 0.339 0.000 1.043 270 S CB 2.225 65.839 63.200 0.690 0.000 1.037 270 S HN 0.049 8.683 8.310 0.541 0.000 0.520 271 T N -3.311 111.262 114.554 0.031 0.000 2.889 271 T HA 0.357 nan 4.350 nan 0.000 0.315 271 T C -2.075 172.427 174.700 -0.330 0.000 1.291 271 T CA -1.402 60.662 62.100 -0.061 0.000 1.028 271 T CB 3.072 71.933 68.868 -0.012 0.000 1.235 271 T HN -0.013 8.267 8.240 0.067 0.000 0.491 272 R N -0.175 120.109 120.500 -0.359 0.000 2.668 272 R HA 0.552 nan 4.340 nan 0.000 0.272 272 R C -2.190 173.985 176.300 -0.209 0.000 1.019 272 R CA -0.284 55.546 56.100 -0.450 0.000 0.894 272 R CB 4.731 34.501 30.300 -0.883 0.000 1.228 272 R HN -0.087 8.073 8.270 -0.183 0.000 0.460 273 V N 0.712 120.539 119.914 -0.144 0.000 2.459 273 V HA 0.347 nan 4.120 nan 0.000 0.295 273 V C 0.132 176.187 176.094 -0.065 0.000 1.029 273 V CA 0.148 62.405 62.300 -0.071 0.000 0.874 273 V CB 0.780 32.585 31.823 -0.031 0.000 0.985 273 V HN 0.644 8.749 8.190 -0.141 0.000 0.438 274 G N 5.870 114.647 108.800 -0.039 0.000 2.804 274 G HA2 -0.326 nan 3.960 nan 0.000 0.230 274 G HA3 -0.326 nan 3.960 nan 0.000 0.230 274 G C -1.077 173.801 174.900 -0.037 0.000 1.386 274 G CA -0.581 44.510 45.100 -0.016 0.000 0.875 274 G HN 0.166 8.439 8.290 -0.029 0.000 0.557 275 A N 0.275 123.107 122.820 0.021 0.000 2.547 275 A HA -0.035 nan 4.320 nan 0.000 0.233 275 A C -0.310 177.122 177.584 -0.253 0.000 1.067 275 A CA 0.918 52.944 52.037 -0.018 0.000 0.763 275 A CB 0.699 19.824 19.000 0.209 0.000 1.007 275 A HN 0.349 8.537 8.150 0.063 0.000 0.506 276 G N -2.153 106.274 108.800 -0.622 0.000 2.348 276 G HA2 -0.121 nan 3.960 nan 0.000 0.606 276 G HA3 -0.121 nan 3.960 nan 0.000 0.606 276 G C -3.014 171.564 174.900 -0.536 0.000 1.466 276 G CA -0.714 43.860 45.100 -0.876 0.000 0.950 276 G HN -0.294 7.703 8.290 -0.488 0.000 0.657 277 P HA 0.169 nan 4.420 nan 0.000 0.270 277 P C -2.088 175.082 177.300 -0.217 0.000 1.223 277 P CA 0.013 62.930 63.100 -0.304 0.000 0.785 277 P CB 0.560 32.022 31.700 -0.397 0.000 0.923 278 F N -1.097 118.715 119.950 -0.229 0.000 3.553 278 F HA 0.134 nan 4.527 nan 0.000 0.464 278 F C -2.465 173.300 175.800 -0.059 0.000 0.841 278 F CA -3.208 54.644 58.000 -0.246 0.000 1.472 278 F CB -0.351 38.343 39.000 -0.511 0.000 2.917 278 F HN 0.165 8.520 8.300 0.092 0.000 0.705 279 P HA -0.134 nan 4.420 nan 0.000 0.220 279 P C -0.478 176.789 177.300 -0.055 0.000 1.144 279 P CA 2.284 65.383 63.100 -0.002 0.000 0.800 279 P CB -0.584 31.044 31.700 -0.121 0.000 0.772 280 T N -7.817 106.707 114.554 -0.049 0.000 3.129 280 T HA -0.026 nan 4.350 nan 0.000 0.251 280 T C 0.048 174.471 174.700 -0.461 0.000 1.117 280 T CA -1.221 60.901 62.100 0.036 0.000 1.034 280 T CB -0.322 68.798 68.868 0.421 0.000 0.968 280 T HN -0.343 7.960 8.240 0.149 0.026 0.526 281 E N 2.653 122.091 120.200 -1.270 0.000 2.529 281 E HA -0.257 nan 4.350 nan 0.000 0.259 281 E C -0.480 175.621 176.600 -0.832 0.000 0.966 281 E CA 0.922 56.490 56.400 -1.387 0.000 0.937 281 E CB 0.373 29.292 29.700 -1.303 0.000 0.923 281 E HN -0.396 7.065 8.360 -1.402 0.058 0.468 282 L N 5.646 126.408 121.223 -0.769 0.000 2.322 282 L HA 0.181 nan 4.340 nan 0.000 0.279 282 L C -0.610 175.847 176.870 -0.688 0.000 1.036 282 L CA -0.652 53.849 54.840 -0.564 0.000 0.807 282 L CB 1.242 43.012 42.059 -0.482 0.000 1.226 282 L HN 0.596 8.263 8.230 -0.745 0.116 0.433 283 F N 0.415 120.292 119.950 -0.122 0.000 2.881 283 F HA 0.185 nan 4.527 nan 0.000 0.343 283 F C -1.015 174.743 175.800 -0.071 0.000 1.233 283 F CA -0.785 57.162 58.000 -0.089 0.000 1.262 283 F CB 0.373 39.331 39.000 -0.069 0.000 0.980 283 F HN 0.174 8.483 8.300 0.016 0.000 0.506 284 D N -1.656 118.759 120.400 0.024 0.000 2.781 284 D HA 0.152 nan 4.640 nan 0.000 0.295 284 D C -0.052 176.226 176.300 -0.037 0.000 1.143 284 D CA -1.878 52.125 54.000 0.004 0.000 1.076 284 D CB 1.307 42.105 40.800 -0.004 0.000 1.444 284 D HN -0.827 7.440 8.370 -0.075 0.058 0.567 285 E N -3.329 116.857 120.200 -0.023 0.000 2.204 285 E HA -0.268 nan 4.350 nan 0.000 0.194 285 E C 1.508 178.092 176.600 -0.027 0.000 0.989 285 E CA 3.407 59.800 56.400 -0.012 0.000 0.824 285 E CB -0.472 29.234 29.700 0.009 0.000 0.756 285 E HN 0.457 8.810 8.360 -0.012 0.000 0.477 286 T N 2.185 116.679 114.554 -0.099 0.000 2.821 286 T HA -0.184 nan 4.350 nan 0.000 0.267 286 T C 1.913 176.427 174.700 -0.311 0.000 1.046 286 T CA 3.588 65.556 62.100 -0.220 0.000 1.139 286 T CB -1.118 67.600 68.868 -0.250 0.000 0.871 286 T HN -0.134 8.121 8.240 -0.089 -0.068 0.454 287 G N 1.931 110.561 108.800 -0.284 0.000 2.524 287 G HA2 -0.303 nan 3.960 nan 0.000 0.215 287 G HA3 -0.303 nan 3.960 nan 0.000 0.215 287 G C 1.302 176.081 174.900 -0.201 0.000 1.239 287 G CA 1.513 46.423 45.100 -0.317 0.000 0.798 287 G HN 0.290 8.714 8.290 -0.223 -0.268 0.557 288 E N 2.345 122.478 120.200 -0.112 0.000 2.219 288 E HA -0.475 nan 4.350 nan 0.000 0.198 288 E C 1.834 178.406 176.600 -0.047 0.000 0.998 288 E CA 2.032 58.392 56.400 -0.066 0.000 0.818 288 E CB -0.746 28.939 29.700 -0.024 0.000 0.741 288 E HN -0.305 7.994 8.360 -0.101 0.000 0.477 289 F N 1.920 121.752 119.950 -0.197 0.000 2.025 289 F HA -0.443 nan 4.527 nan 0.000 0.297 289 F C 1.188 176.836 175.800 -0.254 0.000 1.132 289 F CA 4.060 61.940 58.000 -0.201 0.000 1.191 289 F CB 0.101 38.965 39.000 -0.227 0.000 0.963 289 F HN 0.199 8.421 8.300 0.080 0.126 0.481 290 L N -3.245 117.997 121.223 0.032 0.000 2.189 290 L HA -0.518 nan 4.340 nan 0.000 0.214 290 L C 2.442 179.148 176.870 -0.272 0.000 1.097 290 L CA 2.509 57.190 54.840 -0.266 0.000 0.764 290 L CB -1.158 40.559 42.059 -0.570 0.000 0.900 290 L HN -0.387 7.848 8.230 0.007 0.000 0.436 291 C N -0.253 118.916 119.300 -0.218 0.000 2.473 291 C HA -0.361 nan 4.460 nan 0.000 0.279 291 C C 1.897 176.671 174.990 -0.360 0.000 1.250 291 C CA 3.614 62.464 59.018 -0.281 0.000 1.713 291 C CB -1.419 26.177 27.740 -0.240 0.000 2.066 291 C HN -0.400 7.572 8.230 -0.176 0.152 0.474 292 K N -0.959 119.305 120.400 -0.227 0.000 2.097 292 K HA -0.353 nan 4.320 nan 0.000 0.205 292 K C 2.928 179.424 176.600 -0.173 0.000 1.050 292 K CA 2.988 59.204 56.287 -0.119 0.000 0.938 292 K CB -0.645 31.824 32.500 -0.052 0.000 0.718 292 K HN 0.014 8.155 8.250 -0.181 0.000 0.442 293 Q N -0.258 119.372 119.800 -0.284 0.000 2.291 293 Q HA -0.124 nan 4.340 nan 0.000 0.205 293 Q C 1.447 177.382 176.000 -0.110 0.000 0.970 293 Q CA 1.875 57.529 55.803 -0.247 0.000 0.876 293 Q CB -0.417 28.136 28.738 -0.309 0.000 0.935 293 Q HN 0.515 8.471 8.270 -0.344 0.108 0.455 294 G N -3.663 105.079 108.800 -0.097 0.000 3.863 294 G HA2 0.255 nan 3.960 nan 0.000 0.290 294 G HA3 0.255 nan 3.960 nan 0.000 0.290 294 G C -1.582 173.299 174.900 -0.032 0.000 1.018 294 G CA -1.047 44.055 45.100 0.004 0.000 0.824 294 G HN -0.575 7.591 8.290 -0.160 0.028 0.507 295 N N -0.786 117.857 118.700 -0.096 0.000 2.667 295 N HA -0.498 nan 4.740 nan 0.000 0.263 295 N C -0.660 174.701 175.510 -0.248 0.000 1.038 295 N CA 1.148 54.146 53.050 -0.086 0.000 0.749 295 N CB -1.013 37.531 38.487 0.094 0.000 0.892 295 N HN -0.382 7.780 8.380 -0.096 0.161 0.546 296 E N -0.229 119.615 120.200 -0.594 0.000 2.201 296 E HA 0.220 nan 4.350 nan 0.000 0.272 296 E C -1.730 174.507 176.600 -0.606 0.000 1.228 296 E CA -1.704 54.444 56.400 -0.420 0.000 1.305 296 E CB -0.957 28.598 29.700 -0.242 0.000 1.381 296 E HN -0.458 7.440 8.360 -0.770 0.000 0.475 297 F N -0.442 119.516 119.950 0.013 0.000 2.538 297 F HA 0.535 nan 4.527 nan 0.000 0.325 297 F C -0.116 175.689 175.800 0.008 0.000 1.066 297 F CA -1.613 56.389 58.000 0.005 0.000 0.946 297 F CB 2.782 41.779 39.000 -0.004 0.000 1.199 297 F HN -0.743 7.447 8.300 -0.093 0.054 0.473 298 G N -1.140 107.777 108.800 0.196 0.000 2.491 298 G HA2 -0.109 nan 3.960 nan 0.000 0.242 298 G HA3 -0.109 nan 3.960 nan 0.000 0.242 298 G C -0.800 174.161 174.900 0.102 0.000 1.266 298 G CA 0.183 45.349 45.100 0.109 0.000 0.844 298 G HN 0.769 9.092 8.290 0.224 0.102 0.571 299 A N 1.760 124.625 122.820 0.075 0.000 2.044 299 A HA 0.009 nan 4.320 nan 0.000 0.213 299 A C 1.151 178.767 177.584 0.053 0.000 1.169 299 A CA 1.462 53.539 52.037 0.067 0.000 0.724 299 A CB 0.494 19.533 19.000 0.065 0.000 0.840 299 A HN 0.176 8.365 8.150 0.066 0.000 0.463 300 T N -1.545 113.037 114.554 0.046 0.000 3.200 300 T HA 0.203 nan 4.350 nan 0.000 0.284 300 T C -0.586 174.128 174.700 0.025 0.000 1.009 300 T CA 0.736 62.856 62.100 0.034 0.000 0.907 300 T CB -0.597 68.290 68.868 0.031 0.000 1.120 300 T HN 0.011 8.279 8.240 0.047 0.000 0.534 301 T N -3.173 111.398 114.554 0.029 0.000 3.220 301 T HA 0.151 nan 4.350 nan 0.000 0.262 301 T C 0.996 175.713 174.700 0.027 0.000 0.843 301 T CA 0.348 62.461 62.100 0.023 0.000 0.838 301 T CB 0.519 69.400 68.868 0.021 0.000 1.262 301 T HN -0.391 7.871 8.240 0.038 0.000 0.613 302 G N 2.787 111.612 108.800 0.041 0.000 2.253 302 G HA2 -0.337 nan 3.960 nan 0.000 0.251 302 G HA3 -0.337 nan 3.960 nan 0.000 0.251 302 G C -0.119 174.828 174.900 0.078 0.000 0.998 302 G CA -0.147 44.981 45.100 0.048 0.000 0.621 302 G HN 0.010 8.330 8.290 0.049 0.000 0.524 303 R N -0.886 119.654 120.500 0.067 0.000 2.862 303 R HA -0.262 nan 4.340 nan 0.000 0.267 303 R C -0.679 175.689 176.300 0.113 0.000 0.995 303 R CA 0.784 56.927 56.100 0.071 0.000 1.140 303 R CB 0.520 30.848 30.300 0.046 0.000 1.031 303 R HN -0.299 7.906 8.270 0.051 0.095 0.459 304 R N 0.357 120.918 120.500 0.102 0.000 2.573 304 R HA 0.407 nan 4.340 nan 0.000 0.272 304 R C -0.495 175.821 176.300 0.027 0.000 1.009 304 R CA -0.990 55.170 56.100 0.100 0.000 1.059 304 R CB 1.536 31.897 30.300 0.102 0.000 1.112 304 R HN 0.118 8.435 8.270 0.078 0.000 0.517 305 R N 2.353 122.839 120.500 -0.023 0.000 2.294 305 R HA 0.217 nan 4.340 nan 0.000 0.319 305 R C -0.185 176.098 176.300 -0.028 0.000 0.984 305 R CA -1.074 55.007 56.100 -0.032 0.000 0.861 305 R CB 1.452 31.725 30.300 -0.044 0.000 1.104 305 R HN -0.144 8.084 8.270 -0.070 0.000 0.451 306 R N 3.921 124.413 120.500 -0.013 0.000 2.640 306 R HA -0.035 nan 4.340 nan 0.000 0.270 306 R C -0.898 175.459 176.300 0.095 0.000 1.024 306 R CA 1.045 57.153 56.100 0.013 0.000 1.085 306 R CB 0.194 30.540 30.300 0.076 0.000 0.963 306 R HN -0.101 8.154 8.270 -0.025 0.000 0.426 307 T N -3.922 110.636 114.554 0.007 0.000 2.901 307 T HA 0.792 nan 4.350 nan 0.000 0.293 307 T C -1.521 173.094 174.700 -0.142 0.000 1.084 307 T CA -2.425 59.713 62.100 0.063 0.000 1.008 307 T CB 3.896 72.756 68.868 -0.013 0.000 1.170 307 T HN 0.286 8.440 8.240 -0.144 0.000 0.509 308 G N -0.590 108.196 108.800 -0.024 0.000 2.356 308 G HA2 0.420 nan 3.960 nan 0.000 0.294 308 G HA3 0.420 nan 3.960 nan 0.000 0.294 308 G C -2.383 172.550 174.900 0.055 0.000 1.423 308 G CA 0.676 45.633 45.100 -0.237 0.000 0.806 308 G HN -0.529 7.889 8.290 0.213 0.000 0.527 309 W N -2.159 119.237 121.300 0.159 0.000 1.902 309 W HA 0.114 nan 4.660 nan 0.000 0.360 309 W C 0.202 176.948 176.519 0.378 0.000 1.414 309 W CA -0.391 57.106 57.345 0.253 0.000 1.457 309 W CB 0.719 30.301 29.460 0.203 0.000 1.279 309 W HN -0.341 7.869 8.180 0.050 0.000 0.665 310 L N 0.351 121.971 121.223 0.663 0.000 2.367 310 L HA 0.091 nan 4.340 nan 0.000 0.275 310 L C -1.588 175.534 176.870 0.419 0.000 1.129 310 L CA 0.002 55.118 54.840 0.460 0.000 0.839 310 L CB 0.251 42.526 42.059 0.360 0.000 1.133 310 L HN 0.411 9.085 8.230 0.740 0.000 0.453 311 D N 6.826 127.460 120.400 0.390 0.000 2.454 311 D HA 0.288 nan 4.640 nan 0.000 0.225 311 D C 0.301 176.719 176.300 0.197 0.000 1.081 311 D CA -1.160 53.058 54.000 0.363 0.000 0.864 311 D CB 1.928 43.050 40.800 0.537 0.000 1.040 311 D HN -0.125 8.474 8.370 0.383 0.000 0.517 312 T N 1.004 115.629 114.554 0.117 0.000 3.160 312 T HA 0.024 nan 4.350 nan 0.000 0.257 312 T C 1.630 176.321 174.700 -0.015 0.000 1.147 312 T CA 1.893 64.012 62.100 0.032 0.000 1.064 312 T CB -0.320 68.551 68.868 0.005 0.000 0.949 312 T HN 0.081 8.400 8.240 0.131 0.000 0.526 313 V N 2.347 122.231 119.914 -0.051 0.000 2.379 313 V HA -0.228 nan 4.120 nan 0.000 0.243 313 V C 1.342 177.390 176.094 -0.077 0.000 1.035 313 V CA 3.939 66.124 62.300 -0.192 0.000 1.035 313 V CB -0.964 30.488 31.823 -0.618 0.000 0.673 313 V HN -0.344 8.038 8.190 0.017 -0.182 0.457 314 A N -0.282 122.571 122.820 0.055 0.000 1.865 314 A HA -0.290 nan 4.320 nan 0.000 0.217 314 A C 1.980 179.545 177.584 -0.032 0.000 1.191 314 A CA 3.245 55.333 52.037 0.084 0.000 0.623 314 A CB -1.037 18.030 19.000 0.112 0.000 0.826 314 A HN -0.323 8.225 8.150 0.135 -0.318 0.444 315 V N -1.406 118.486 119.914 -0.037 0.000 2.282 315 V HA -0.504 nan 4.120 nan 0.000 0.249 315 V C 2.308 178.418 176.094 0.027 0.000 1.057 315 V CA 4.481 66.765 62.300 -0.026 0.000 1.032 315 V CB -0.992 30.816 31.823 -0.025 0.000 0.645 315 V HN -0.340 7.848 8.190 -0.003 0.000 0.447 316 R N -1.609 118.897 120.500 0.009 0.000 2.127 316 R HA -0.371 nan 4.340 nan 0.000 0.238 316 R C 2.191 178.478 176.300 -0.021 0.000 1.134 316 R CA 3.324 59.422 56.100 -0.002 0.000 0.975 316 R CB -0.376 29.903 30.300 -0.035 0.000 0.865 316 R HN -0.484 7.597 8.270 -0.007 0.185 0.447 317 R N -0.435 120.052 120.500 -0.021 0.000 2.075 317 R HA -0.231 nan 4.340 nan 0.000 0.232 317 R C 1.605 177.889 176.300 -0.026 0.000 1.126 317 R CA 2.230 58.321 56.100 -0.015 0.000 0.963 317 R CB -0.830 29.486 30.300 0.027 0.000 0.858 317 R HN -0.263 7.862 8.270 -0.019 0.133 0.435 318 A N -1.700 121.104 122.820 -0.026 0.000 2.019 318 A HA -0.158 nan 4.320 nan 0.000 0.219 318 A C 2.593 180.159 177.584 -0.030 0.000 1.164 318 A CA 2.913 54.932 52.037 -0.029 0.000 0.644 318 A CB -0.828 18.155 19.000 -0.028 0.000 0.805 318 A HN -0.305 7.751 8.150 -0.028 0.077 0.449 319 V N -0.476 119.424 119.914 -0.023 0.000 2.270 319 V HA -0.501 nan 4.120 nan 0.000 0.245 319 V C 2.236 178.274 176.094 -0.094 0.000 1.043 319 V CA 4.284 66.540 62.300 -0.073 0.000 1.014 319 V CB -0.897 30.884 31.823 -0.071 0.000 0.645 319 V HN -0.268 7.810 8.190 0.002 0.113 0.447 320 Q N -0.705 119.047 119.800 -0.080 0.000 1.967 320 Q HA -0.408 nan 4.340 nan 0.000 0.210 320 Q C 2.937 178.870 176.000 -0.112 0.000 1.005 320 Q CA 3.312 59.060 55.803 -0.092 0.000 0.862 320 Q CB -0.178 28.511 28.738 -0.082 0.000 0.939 320 Q HN -0.601 7.631 8.270 -0.063 0.000 0.417 321 L N -3.141 118.012 121.223 -0.117 0.000 2.127 321 L HA -0.345 nan 4.340 nan 0.000 0.211 321 L C 1.205 178.006 176.870 -0.116 0.000 1.089 321 L CA 2.375 57.128 54.840 -0.145 0.000 0.757 321 L CB -0.560 41.418 42.059 -0.136 0.000 0.899 321 L HN -0.339 7.833 8.230 -0.097 0.000 0.434 322 N N -4.902 113.739 118.700 -0.099 0.000 2.236 322 N HA 0.101 nan 4.740 nan 0.000 0.196 322 N C -0.701 174.734 175.510 -0.126 0.000 1.114 322 N CA -0.477 52.515 53.050 -0.097 0.000 0.859 322 N CB 0.663 39.105 38.487 -0.074 0.000 0.982 322 N HN -0.629 7.676 8.380 -0.092 0.020 0.493 323 S N -2.065 113.555 115.700 -0.133 0.000 3.477 323 S HA -0.469 nan 4.470 nan 0.000 0.371 323 S C 0.212 174.697 174.600 -0.191 0.000 0.965 323 S CA 0.778 58.889 58.200 -0.149 0.000 1.239 323 S CB -2.112 61.007 63.200 -0.134 0.000 0.918 323 S HN -0.482 7.587 8.310 -0.124 0.166 0.498 324 L N -0.941 120.155 121.223 -0.211 0.000 2.578 324 L HA -0.243 nan 4.340 nan 0.000 0.279 324 L C 0.984 177.620 176.870 -0.391 0.000 1.227 324 L CA 1.322 55.985 54.840 -0.294 0.000 0.900 324 L CB 0.436 42.299 42.059 -0.328 0.000 1.144 324 L HN -0.605 7.528 8.230 -0.180 -0.010 0.496 325 S N 4.209 119.594 115.700 -0.524 0.000 2.371 325 S HA 0.183 nan 4.470 nan 0.000 0.219 325 S C -0.030 174.176 174.600 -0.657 0.000 1.040 325 S CA 2.055 59.834 58.200 -0.702 0.000 0.958 325 S CB 1.408 63.863 63.200 -1.242 0.000 0.860 325 S HN 0.591 8.591 8.310 -0.517 0.000 0.487 326 G N -3.089 105.327 108.800 -0.640 0.000 2.708 326 G HA2 0.467 nan 3.960 nan 0.000 0.289 326 G HA3 0.467 nan 3.960 nan 0.000 0.289 326 G C -3.138 171.592 174.900 -0.284 0.000 1.416 326 G CA -0.147 44.749 45.100 -0.339 0.000 0.829 326 G HN -0.796 7.092 8.290 -0.669 0.000 0.480 327 F N -1.809 118.157 119.950 0.026 0.000 2.492 327 F HA 0.852 nan 4.527 nan 0.000 0.327 327 F C -1.791 174.040 175.800 0.050 0.000 1.079 327 F CA -2.987 55.029 58.000 0.028 0.000 0.967 327 F CB 4.254 43.261 39.000 0.010 0.000 1.169 327 F HN 0.307 8.612 8.300 0.009 0.000 0.472 328 C N 5.088 124.572 119.300 0.307 0.000 2.294 328 C HA 0.674 nan 4.460 nan 0.000 0.319 328 C C -1.547 173.516 174.990 0.122 0.000 1.164 328 C CA -2.380 56.741 59.018 0.171 0.000 1.497 328 C CB -0.015 27.802 27.740 0.128 0.000 2.061 328 C HN 0.733 9.184 8.230 0.369 0.000 0.438 329 L N 10.800 132.082 121.223 0.098 0.000 2.360 329 L HA 0.509 nan 4.340 nan 0.000 0.276 329 L C -1.756 175.153 176.870 0.065 0.000 1.121 329 L CA 0.166 55.039 54.840 0.055 0.000 0.845 329 L CB 1.653 43.755 42.059 0.072 0.000 1.143 329 L HN 0.407 8.706 8.230 0.115 0.000 0.452 330 T N 1.975 116.562 114.554 0.055 0.000 2.926 330 T HA 0.543 nan 4.350 nan 0.000 0.289 330 T C -0.165 174.605 174.700 0.116 0.000 1.054 330 T CA -2.071 60.072 62.100 0.071 0.000 1.015 330 T CB 2.621 71.515 68.868 0.043 0.000 1.167 330 T HN 1.004 9.152 8.240 0.026 0.107 0.526 331 K N -0.114 120.375 120.400 0.148 0.000 3.177 331 K HA -0.455 nan 4.320 nan 0.000 0.266 331 K C 0.993 177.777 176.600 0.307 0.000 0.937 331 K CA 1.621 58.047 56.287 0.232 0.000 0.702 331 K CB -2.075 30.586 32.500 0.268 0.000 1.365 331 K HN 0.722 9.047 8.250 0.125 0.000 0.466 332 L N -1.411 119.974 121.223 0.271 0.000 2.023 332 L HA -0.321 nan 4.340 nan 0.000 0.205 332 L C 0.286 177.385 176.870 0.381 0.000 1.073 332 L CA 3.562 58.599 54.840 0.329 0.000 0.745 332 L CB -0.056 42.163 42.059 0.265 0.000 0.900 332 L HN 0.025 8.386 8.230 0.218 0.000 0.435 333 D N -3.668 116.934 120.400 0.338 0.000 2.393 333 D HA -0.356 nan 4.640 nan 0.000 0.220 333 D C 0.961 177.411 176.300 0.251 0.000 0.974 333 D CA 2.251 56.458 54.000 0.344 0.000 0.931 333 D CB -1.164 39.838 40.800 0.336 0.000 0.889 333 D HN 0.243 8.785 8.370 0.286 0.000 0.512 334 V N -1.312 118.734 119.914 0.220 0.000 2.667 334 V HA -0.204 nan 4.120 nan 0.000 0.252 334 V C 1.440 177.572 176.094 0.063 0.000 1.065 334 V CA 1.930 64.302 62.300 0.121 0.000 1.083 334 V CB -0.177 31.705 31.823 0.100 0.000 0.692 334 V HN -0.676 7.481 8.190 0.267 0.194 0.468 335 L N -3.720 117.510 121.223 0.011 0.000 2.418 335 L HA -0.010 nan 4.340 nan 0.000 0.218 335 L C -0.108 176.421 176.870 -0.568 0.000 1.125 335 L CA 0.680 55.341 54.840 -0.299 0.000 0.835 335 L CB 0.015 41.826 42.059 -0.413 0.000 0.953 335 L HN 0.577 8.740 8.230 0.149 0.156 0.454 336 D N -0.832 119.421 120.400 -0.245 0.000 2.581 336 D HA -0.297 nan 4.640 nan 0.000 0.238 336 D C 1.030 177.233 176.300 -0.162 0.000 1.145 336 D CA 2.478 56.347 54.000 -0.217 0.000 0.866 336 D CB -0.613 40.281 40.800 0.156 0.000 1.151 336 D HN -0.663 7.575 8.370 0.055 0.165 0.500 337 G N 3.400 112.038 108.800 -0.271 0.000 2.218 337 G HA2 -0.454 nan 3.960 nan 0.000 0.216 337 G HA3 -0.454 nan 3.960 nan 0.000 0.216 337 G C -0.674 174.062 174.900 -0.273 0.000 0.994 337 G CA -0.230 44.797 45.100 -0.122 0.000 0.637 337 G HN 0.558 8.592 8.290 -0.428 0.000 0.505 338 L N 0.365 121.284 121.223 -0.508 0.000 2.371 338 L HA 0.092 nan 4.340 nan 0.000 0.272 338 L C 0.479 177.162 176.870 -0.312 0.000 1.124 338 L CA -0.555 53.986 54.840 -0.499 0.000 0.816 338 L CB 0.346 42.054 42.059 -0.584 0.000 1.129 338 L HN -0.413 7.375 8.230 -0.644 0.055 0.448 339 K N 1.765 122.037 120.400 -0.213 0.000 2.031 339 K HA -0.260 nan 4.320 nan 0.000 0.205 339 K C 0.346 176.880 176.600 -0.111 0.000 1.049 339 K CA 2.509 58.721 56.287 -0.125 0.000 0.939 339 K CB 0.504 32.951 32.500 -0.088 0.000 0.717 339 K HN 0.454 8.568 8.250 -0.226 0.000 0.438 340 E N -3.829 116.294 120.200 -0.127 0.000 2.336 340 E HA 0.519 nan 4.350 nan 0.000 0.267 340 E C -1.875 174.623 176.600 -0.170 0.000 0.906 340 E CA -1.318 55.007 56.400 -0.126 0.000 0.781 340 E CB 3.898 33.529 29.700 -0.115 0.000 1.261 340 E HN -0.662 7.618 8.360 -0.135 0.000 0.436 341 V N 1.099 120.868 119.914 -0.242 0.000 2.808 341 V HA 0.382 nan 4.120 nan 0.000 0.308 341 V C -2.000 173.779 176.094 -0.526 0.000 1.099 341 V CA -0.858 61.222 62.300 -0.366 0.000 0.920 341 V CB 3.856 35.558 31.823 -0.202 0.000 1.014 341 V HN 0.927 9.008 8.190 -0.182 0.000 0.425 342 K N 4.430 124.158 120.400 -1.120 0.000 2.295 342 K HA 0.952 nan 4.320 nan 0.000 0.239 342 K C -1.566 174.865 176.600 -0.282 0.000 0.991 342 K CA -1.465 54.326 56.287 -0.827 0.000 0.845 342 K CB 3.145 34.768 32.500 -1.462 0.000 1.197 342 K HN 0.016 7.104 8.250 -1.937 0.000 0.441 343 L N -0.967 120.244 121.223 -0.021 0.000 2.476 343 L HA 0.413 nan 4.340 nan 0.000 0.269 343 L C -1.407 175.601 176.870 0.231 0.000 0.965 343 L CA -1.332 53.593 54.840 0.143 0.000 0.845 343 L CB 3.861 45.942 42.059 0.037 0.000 1.259 343 L HN -0.036 8.170 8.230 -0.042 0.000 0.403 344 C N 6.769 126.243 119.300 0.290 0.000 2.619 344 C HA 0.204 nan 4.460 nan 0.000 0.389 344 C C 0.928 175.955 174.990 0.061 0.000 1.314 344 C CA 0.086 59.171 59.018 0.113 0.000 1.678 344 C CB -1.138 26.686 27.740 0.139 0.000 2.398 344 C HN 0.625 9.057 8.230 0.337 0.000 0.582 345 V N 2.978 122.900 119.914 0.013 0.000 3.647 345 V HA 0.387 nan 4.120 nan 0.000 0.279 345 V C -1.853 174.216 176.094 -0.042 0.000 1.314 345 V CA -1.482 60.813 62.300 -0.009 0.000 1.125 345 V CB -0.795 31.027 31.823 -0.003 0.000 0.907 345 V HN 0.125 8.312 8.190 -0.004 0.000 0.434 346 A N -1.901 120.898 122.820 -0.036 0.000 2.481 346 A HA 0.339 nan 4.320 nan 0.000 0.295 346 A C -2.910 174.759 177.584 0.141 0.000 0.986 346 A CA 0.475 52.483 52.037 -0.049 0.000 0.617 346 A CB 1.326 20.307 19.000 -0.032 0.000 1.364 346 A HN -0.877 7.208 8.150 -0.011 0.058 0.452 347 Y N -2.000 118.262 120.300 -0.063 0.000 2.393 347 Y HA 0.667 nan 4.550 nan 0.000 0.341 347 Y C -1.686 174.181 175.900 -0.055 0.000 0.988 347 Y CA -3.297 54.765 58.100 -0.063 0.000 1.078 347 Y CB 3.661 42.083 38.460 -0.062 0.000 1.203 347 Y HN 0.017 8.302 8.280 0.008 0.000 0.453 348 R N 3.048 123.611 120.500 0.103 0.000 2.295 348 R HA 0.675 nan 4.340 nan 0.000 0.324 348 R C -1.197 175.122 176.300 0.030 0.000 0.968 348 R CA -1.552 54.576 56.100 0.046 0.000 0.837 348 R CB 2.193 32.508 30.300 0.023 0.000 1.133 348 R HN 0.465 8.781 8.270 0.076 0.000 0.450 349 M N 5.952 125.567 119.600 0.024 0.000 2.471 349 M HA 0.440 nan 4.480 nan 0.000 0.309 349 M C -0.987 175.317 176.300 0.006 0.000 1.186 349 M CA -2.870 52.436 55.300 0.010 0.000 1.008 349 M CB -1.510 31.093 32.600 0.006 0.000 1.551 349 M HN 0.849 9.041 8.290 0.025 0.113 0.477 350 P HA -0.255 nan 4.420 nan 0.000 0.219 350 P C -0.796 176.508 177.300 0.006 0.000 1.161 350 P CA 2.621 65.724 63.100 0.006 0.000 0.909 350 P CB -0.526 31.177 31.700 0.006 0.000 0.793 351 D N -6.147 114.256 120.400 0.004 0.000 2.351 351 D HA -0.149 nan 4.640 nan 0.000 0.216 351 D C 0.803 177.105 176.300 0.004 0.000 0.968 351 D CA 0.160 54.163 54.000 0.004 0.000 0.899 351 D CB -0.310 40.491 40.800 0.002 0.000 0.907 351 D HN 0.017 8.389 8.370 0.004 0.000 0.514 352 G N -0.562 108.241 108.800 0.005 0.000 2.179 352 G HA2 -0.421 nan 3.960 nan 0.000 0.220 352 G HA3 -0.421 nan 3.960 nan 0.000 0.220 352 G C -0.912 173.991 174.900 0.006 0.000 0.990 352 G CA -0.472 44.632 45.100 0.006 0.000 0.646 352 G HN 0.322 8.419 8.290 0.006 0.197 0.517 353 R N 1.103 121.606 120.500 0.005 0.000 2.308 353 R HA 0.058 nan 4.340 nan 0.000 0.305 353 R C -1.089 175.215 176.300 0.008 0.000 1.053 353 R CA -0.384 55.718 56.100 0.002 0.000 0.957 353 R CB 1.121 31.420 30.300 -0.002 0.000 1.022 353 R HN -0.541 7.911 8.270 0.004 -0.180 0.461 354 E N 3.779 123.981 120.200 0.004 0.000 2.156 354 E HA 0.604 nan 4.350 nan 0.000 0.279 354 E C -0.490 176.103 176.600 -0.011 0.000 0.965 354 E CA -0.510 55.894 56.400 0.007 0.000 0.789 354 E CB 1.529 31.230 29.700 0.002 0.000 1.098 354 E HN 0.227 8.587 8.360 -0.001 0.000 0.397 355 V N -0.997 118.906 119.914 -0.019 0.000 2.914 355 V HA 0.576 nan 4.120 nan 0.000 0.314 355 V C -0.592 175.428 176.094 -0.122 0.000 1.084 355 V CA -2.466 59.799 62.300 -0.058 0.000 0.963 355 V CB 3.334 35.125 31.823 -0.054 0.000 1.025 355 V HN 0.531 8.727 8.190 0.010 0.000 0.432 356 T N -1.758 112.715 114.554 -0.134 0.000 3.258 356 T HA 0.221 nan 4.350 nan 0.000 0.263 356 T C -0.698 173.879 174.700 -0.205 0.000 0.983 356 T CA -0.147 61.847 62.100 -0.177 0.000 0.907 356 T CB -0.448 68.352 68.868 -0.114 0.000 1.096 356 T HN 0.078 8.257 8.240 -0.102 0.000 0.556 357 T N 2.065 116.482 114.554 -0.229 0.000 2.916 357 T HA 0.251 nan 4.350 nan 0.000 0.298 357 T C -0.779 173.781 174.700 -0.232 0.000 1.031 357 T CA -0.407 61.579 62.100 -0.189 0.000 0.993 357 T CB 2.526 71.328 68.868 -0.110 0.000 1.045 357 T HN -0.408 7.607 8.240 -0.229 0.088 0.454 358 T N 2.178 116.620 114.554 -0.187 0.000 2.900 358 T HA 0.310 nan 4.350 nan 0.000 0.307 358 T C -1.553 172.995 174.700 -0.253 0.000 1.065 358 T CA -2.684 59.300 62.100 -0.194 0.000 1.105 358 T CB -0.898 67.989 68.868 0.032 0.000 0.979 358 T HN 0.166 8.330 8.240 -0.126 0.000 0.544 359 P HA 0.210 nan 4.420 nan 0.000 0.276 359 P C -0.852 176.269 177.300 -0.298 0.000 1.252 359 P CA -0.699 62.118 63.100 -0.473 0.000 0.802 359 P CB 0.778 32.041 31.700 -0.729 0.000 1.035 360 L N -4.197 116.973 121.223 -0.088 0.000 2.187 360 L HA 0.261 nan 4.340 nan 0.000 0.197 360 L C 0.750 177.748 176.870 0.213 0.000 1.090 360 L CA 0.531 55.426 54.840 0.093 0.000 0.781 360 L CB -0.255 41.839 42.059 0.059 0.000 0.956 360 L HN 0.171 8.334 8.230 -0.111 0.000 0.463 361 A N -0.739 122.169 122.820 0.147 0.000 2.448 361 A HA -0.098 nan 4.320 nan 0.000 0.239 361 A C 0.503 178.323 177.584 0.393 0.000 1.080 361 A CA -0.373 51.791 52.037 0.213 0.000 0.779 361 A CB 0.531 19.610 19.000 0.132 0.000 1.026 361 A HN -0.387 7.803 8.150 0.066 0.000 0.499 362 A N 1.051 124.088 122.820 0.361 0.000 1.858 362 A HA -0.222 nan 4.320 nan 0.000 0.216 362 A C 2.141 179.940 177.584 0.359 0.000 1.190 362 A CA 2.874 55.149 52.037 0.397 0.000 0.617 362 A CB -0.688 18.500 19.000 0.314 0.000 0.827 362 A HN 0.607 8.925 8.150 0.280 0.000 0.443 363 D N -1.524 119.022 120.400 0.243 0.000 2.104 363 D HA -0.236 nan 4.640 nan 0.000 0.194 363 D C 1.818 178.223 176.300 0.175 0.000 0.994 363 D CA 3.121 57.228 54.000 0.180 0.000 0.830 363 D CB -1.037 39.837 40.800 0.123 0.000 0.959 363 D HN 0.193 8.691 8.370 0.214 0.000 0.452 364 D N -0.828 119.659 120.400 0.146 0.000 2.191 364 D HA -0.279 nan 4.640 nan 0.000 0.195 364 D C 2.206 178.526 176.300 0.034 0.000 1.003 364 D CA 2.915 56.942 54.000 0.045 0.000 0.867 364 D CB -0.674 40.103 40.800 -0.039 0.000 0.926 364 D HN 0.447 8.910 8.370 0.154 0.000 0.450 365 W N -2.350 118.987 121.300 0.061 0.000 2.747 365 W HA -0.216 nan 4.660 nan 0.000 0.244 365 W C 0.166 176.682 176.519 -0.006 0.000 1.270 365 W CA 0.844 58.209 57.345 0.034 0.000 1.333 365 W CB -0.629 28.865 29.460 0.056 0.000 1.139 365 W HN -0.776 7.629 8.180 0.395 0.013 0.662 366 K N -3.324 117.184 120.400 0.180 0.000 2.098 366 K HA -0.073 nan 4.320 nan 0.000 0.203 366 K C 1.430 178.063 176.600 0.055 0.000 1.051 366 K CA 1.617 57.968 56.287 0.105 0.000 0.957 366 K CB -0.223 32.330 32.500 0.088 0.000 0.738 366 K HN 0.032 8.180 8.250 0.167 0.203 0.447 367 G N -0.140 108.680 108.800 0.033 0.000 2.796 367 G HA2 0.042 nan 3.960 nan 0.000 0.210 367 G HA3 0.042 nan 3.960 nan 0.000 0.210 367 G C -0.372 174.520 174.900 -0.014 0.000 1.146 367 G CA -0.397 44.710 45.100 0.011 0.000 0.779 367 G HN -0.706 7.606 8.290 0.037 0.000 0.535 368 V N 0.753 120.641 119.914 -0.044 0.000 2.872 368 V HA -0.227 nan 4.120 nan 0.000 0.302 368 V C 0.075 176.100 176.094 -0.115 0.000 1.166 368 V CA 1.436 63.664 62.300 -0.120 0.000 1.298 368 V CB -0.067 31.577 31.823 -0.298 0.000 0.894 368 V HN -0.312 7.861 8.190 -0.029 0.000 0.509 369 E N 6.407 126.548 120.200 -0.098 0.000 2.241 369 E HA 0.464 nan 4.350 nan 0.000 0.263 369 E C -2.197 174.344 176.600 -0.099 0.000 0.882 369 E CA -3.350 53.008 56.400 -0.070 0.000 0.769 369 E CB 2.998 32.690 29.700 -0.013 0.000 1.185 369 E HN -0.002 8.319 8.360 -0.065 0.000 0.415 370 P HA 0.167 nan 4.420 nan 0.000 0.271 370 P C -1.180 175.896 177.300 -0.373 0.000 1.216 370 P CA -0.209 62.673 63.100 -0.363 0.000 0.771 370 P CB 0.367 31.576 31.700 -0.817 0.000 0.864 371 I N 5.184 125.608 120.570 -0.244 0.000 2.310 371 I HA 0.166 nan 4.170 nan 0.000 0.287 371 I C -1.143 174.912 176.117 -0.102 0.000 1.073 371 I CA -2.427 58.812 61.300 -0.102 0.000 1.216 371 I CB -1.663 36.324 38.000 -0.022 0.000 1.415 371 I HN 0.480 8.600 8.210 -0.150 0.000 0.480 372 Y N 6.214 126.527 120.300 0.023 0.000 2.301 372 Y HA 0.041 nan 4.550 nan 0.000 0.328 372 Y C -0.394 175.479 175.900 -0.044 0.000 1.242 372 Y CA -0.435 57.650 58.100 -0.025 0.000 1.323 372 Y CB 0.902 39.313 38.460 -0.081 0.000 1.266 372 Y HN -0.024 8.351 8.280 0.158 0.000 0.527 373 E N 0.891 121.170 120.200 0.132 0.000 2.165 373 E HA 0.412 nan 4.350 nan 0.000 0.266 373 E C -1.510 175.078 176.600 -0.020 0.000 0.889 373 E CA -1.277 55.148 56.400 0.041 0.000 0.756 373 E CB 2.390 32.108 29.700 0.030 0.000 1.131 373 E HN 0.269 8.728 8.360 0.164 0.000 0.411 374 T N 2.915 117.440 114.554 -0.049 0.000 2.758 374 T HA 0.694 nan 4.350 nan 0.000 0.285 374 T C -0.374 174.291 174.700 -0.058 0.000 0.981 374 T CA -1.545 60.486 62.100 -0.115 0.000 0.965 374 T CB 0.336 69.126 68.868 -0.130 0.000 0.927 374 T HN 0.048 8.275 8.240 -0.022 0.000 0.448 375 M N 1.908 121.481 119.600 -0.045 0.000 2.724 375 M HA 0.625 nan 4.480 nan 0.000 0.310 375 M C -2.772 173.538 176.300 0.017 0.000 1.217 375 M CA -2.817 52.496 55.300 0.021 0.000 0.894 375 M CB 0.484 33.140 32.600 0.094 0.000 1.719 375 M HN 1.083 9.209 8.290 -0.090 0.110 0.479 376 P HA 0.001 nan 4.420 nan 0.000 0.267 376 P C -1.226 176.133 177.300 0.097 0.000 1.200 376 P CA 0.163 63.294 63.100 0.052 0.000 0.772 376 P CB 0.081 31.824 31.700 0.072 0.000 0.855 377 G N 0.163 108.984 108.800 0.035 0.000 2.543 377 G HA2 0.504 nan 3.960 nan 0.000 0.267 377 G HA3 0.504 nan 3.960 nan 0.000 0.267 377 G C -2.080 172.947 174.900 0.212 0.000 1.406 377 G CA -0.368 44.726 45.100 -0.010 0.000 1.048 377 G HN 0.330 8.543 8.290 -0.006 0.074 0.548 378 W N -4.326 116.948 121.300 -0.043 0.000 3.259 378 W HA 0.398 nan 4.660 nan 0.000 0.331 378 W C -0.840 175.676 176.519 -0.006 0.000 1.144 378 W CA -0.917 56.417 57.345 -0.019 0.000 1.227 378 W CB 1.016 30.468 29.460 -0.014 0.000 1.371 378 W HN -0.436 7.462 8.180 -0.469 0.000 0.491 379 S N 1.500 117.310 115.700 0.184 0.000 2.470 379 S HA -0.170 nan 4.470 nan 0.000 0.222 379 S C -0.084 174.617 174.600 0.169 0.000 1.024 379 S CA 1.115 59.377 58.200 0.104 0.000 0.931 379 S CB 0.082 63.322 63.200 0.066 0.000 0.791 379 S HN 0.293 8.727 8.310 0.207 0.000 0.513 380 E N 0.663 121.002 120.200 0.232 0.000 2.408 380 E HA -0.052 nan 4.350 nan 0.000 0.259 380 E C -1.055 175.704 176.600 0.265 0.000 1.110 380 E CA -0.406 56.113 56.400 0.199 0.000 0.929 380 E CB 0.438 30.223 29.700 0.141 0.000 0.971 380 E HN -0.291 8.222 8.360 0.255 0.000 0.438 381 S N -1.200 114.618 115.700 0.196 0.000 2.499 381 S HA 0.026 nan 4.470 nan 0.000 0.279 381 S C 0.292 175.018 174.600 0.210 0.000 1.219 381 S CA -0.524 57.808 58.200 0.221 0.000 1.062 381 S CB 0.722 64.033 63.200 0.185 0.000 0.978 381 S HN -0.159 8.241 8.310 0.151 0.000 0.489 382 T N 4.325 119.030 114.554 0.251 0.000 3.060 382 T HA 0.205 nan 4.350 nan 0.000 0.249 382 T C 0.138 174.932 174.700 0.157 0.000 1.079 382 T CA -0.807 61.391 62.100 0.163 0.000 1.013 382 T CB 0.319 69.271 68.868 0.141 0.000 0.975 382 T HN 0.796 9.782 8.240 0.323 -0.552 0.518 383 F N 3.225 123.233 119.950 0.096 0.000 2.602 383 F HA -0.477 nan 4.527 nan 0.000 0.385 383 F C 1.018 176.852 175.800 0.056 0.000 1.063 383 F CA 1.003 59.049 58.000 0.076 0.000 1.233 383 F CB 0.351 39.394 39.000 0.072 0.000 1.067 383 F HN -0.742 7.737 8.300 0.382 0.050 0.564 384 G N 6.590 114.915 108.800 -0.793 0.000 2.212 384 G HA2 -0.517 nan 3.960 nan 0.000 0.266 384 G HA3 -0.517 nan 3.960 nan 0.000 0.266 384 G C -0.506 174.275 174.900 -0.198 0.000 0.978 384 G CA -0.170 44.615 45.100 -0.526 0.000 0.632 384 G HN 0.885 8.517 8.290 -0.910 0.111 0.537 385 V N 1.919 121.767 119.914 -0.110 0.000 2.788 385 V HA -0.211 nan 4.120 nan 0.000 0.307 385 V C 0.681 176.738 176.094 -0.061 0.000 1.069 385 V CA 1.148 63.416 62.300 -0.053 0.000 1.173 385 V CB 0.253 32.060 31.823 -0.027 0.000 0.925 385 V HN -0.553 7.504 8.190 -0.100 0.073 0.492 386 K N 2.499 122.875 120.400 -0.041 0.000 2.399 386 K HA 0.113 nan 4.320 nan 0.000 0.196 386 K C -0.520 176.067 176.600 -0.021 0.000 1.103 386 K CA 0.520 56.787 56.287 -0.034 0.000 0.986 386 K CB 1.041 33.524 32.500 -0.029 0.000 0.952 386 K HN 0.452 8.684 8.250 -0.030 0.000 0.541 387 D N -2.284 118.105 120.400 -0.018 0.000 2.350 387 D HA 0.207 nan 4.640 nan 0.000 0.238 387 D C -0.591 175.699 176.300 -0.017 0.000 0.989 387 D CA -2.031 51.961 54.000 -0.013 0.000 0.921 387 D CB 1.681 42.476 40.800 -0.009 0.000 1.297 387 D HN -0.768 7.590 8.370 -0.019 0.000 0.490 388 R N 1.116 121.608 120.500 -0.014 0.000 2.280 388 R HA -0.127 nan 4.340 nan 0.000 0.207 388 R C 1.042 177.328 176.300 -0.024 0.000 1.043 388 R CA 1.910 57.998 56.100 -0.020 0.000 1.006 388 R CB 0.200 30.493 30.300 -0.013 0.000 0.885 388 R HN 0.373 8.637 8.270 -0.010 0.000 0.467 389 S N -0.505 115.185 115.700 -0.017 0.000 2.335 389 S HA -0.161 nan 4.470 nan 0.000 0.217 389 S C 2.052 176.640 174.600 -0.020 0.000 1.032 389 S CA 2.839 61.030 58.200 -0.016 0.000 0.985 389 S CB -0.532 62.663 63.200 -0.009 0.000 0.896 389 S HN -0.106 8.296 8.310 -0.013 -0.101 0.445 390 G N 1.358 110.148 108.800 -0.017 0.000 3.302 390 G HA2 -0.119 nan 3.960 nan 0.000 0.220 390 G HA3 -0.119 nan 3.960 nan 0.000 0.220 390 G C -1.505 173.378 174.900 -0.029 0.000 1.297 390 G CA 0.086 45.178 45.100 -0.015 0.000 1.213 390 G HN 0.237 8.519 8.290 -0.014 0.000 0.508 391 L N 1.053 122.246 121.223 -0.050 0.000 2.341 391 L HA 0.359 nan 4.340 nan 0.000 0.278 391 L C -2.167 174.636 176.870 -0.112 0.000 1.005 391 L CA -3.237 51.546 54.840 -0.095 0.000 0.818 391 L CB 2.468 44.464 42.059 -0.106 0.000 1.259 391 L HN -0.261 7.820 8.230 -0.044 0.123 0.418 392 P HA 0.039 nan 4.420 nan 0.000 0.268 392 P C 0.296 177.507 177.300 -0.148 0.000 1.204 392 P CA -0.544 62.480 63.100 -0.126 0.000 0.768 392 P CB 1.018 32.637 31.700 -0.134 0.000 0.842 393 Q N 5.706 125.461 119.800 -0.074 0.000 2.242 393 Q HA -0.446 nan 4.340 nan 0.000 0.211 393 Q C 1.784 177.745 176.000 -0.064 0.000 0.992 393 Q CA 3.362 59.133 55.803 -0.054 0.000 0.889 393 Q CB -0.698 28.030 28.738 -0.018 0.000 0.913 393 Q HN 0.679 8.921 8.270 -0.047 0.000 0.422 394 A N -2.351 120.430 122.820 -0.065 0.000 1.902 394 A HA -0.226 nan 4.320 nan 0.000 0.217 394 A C 1.823 179.284 177.584 -0.205 0.000 1.181 394 A CA 2.780 54.800 52.037 -0.028 0.000 0.623 394 A CB -1.215 17.856 19.000 0.117 0.000 0.818 394 A HN 0.361 8.461 8.150 -0.050 0.020 0.443 395 A N -1.661 120.821 122.820 -0.563 0.000 2.015 395 A HA -0.207 nan 4.320 nan 0.000 0.219 395 A C 2.045 179.479 177.584 -0.250 0.000 1.163 395 A CA 2.645 54.225 52.037 -0.761 0.000 0.646 395 A CB -0.892 17.528 19.000 -0.968 0.000 0.806 395 A HN 0.009 7.736 8.150 -0.532 0.104 0.448 396 L N -1.436 119.686 121.223 -0.168 0.000 1.976 396 L HA -0.537 nan 4.340 nan 0.000 0.209 396 L C 2.190 179.055 176.870 -0.008 0.000 1.071 396 L CA 3.467 58.267 54.840 -0.067 0.000 0.746 396 L CB -0.582 41.443 42.059 -0.057 0.000 0.890 396 L HN -0.122 7.876 8.230 -0.208 0.107 0.432 397 N N -0.964 117.742 118.700 0.011 0.000 2.166 397 N HA -0.352 nan 4.740 nan 0.000 0.186 397 N C 2.209 177.777 175.510 0.097 0.000 1.019 397 N CA 2.786 55.864 53.050 0.047 0.000 0.856 397 N CB -0.658 37.862 38.487 0.055 0.000 0.993 397 N HN 0.342 8.610 8.380 -0.011 0.105 0.426 398 Y N 2.196 122.493 120.300 -0.006 0.000 2.181 398 Y HA -0.359 nan 4.550 nan 0.000 0.288 398 Y C 1.845 177.763 175.900 0.032 0.000 1.146 398 Y CA 4.038 62.164 58.100 0.043 0.000 1.164 398 Y CB 0.212 38.739 38.460 0.113 0.000 0.982 398 Y HN -0.400 7.995 8.280 0.192 0.000 0.515 399 I N -1.298 119.355 120.570 0.139 0.000 2.226 399 I HA -0.664 nan 4.170 nan 0.000 0.245 399 I C 1.641 177.753 176.117 -0.009 0.000 1.100 399 I CA 4.045 65.376 61.300 0.052 0.000 1.374 399 I CB -0.109 37.928 38.000 0.061 0.000 1.057 399 I HN -0.084 8.234 8.210 0.180 0.000 0.413 400 K N -0.515 119.886 120.400 0.003 0.000 2.032 400 K HA -0.389 nan 4.320 nan 0.000 0.209 400 K C 1.986 178.571 176.600 -0.025 0.000 1.048 400 K CA 2.996 59.281 56.287 -0.003 0.000 0.927 400 K CB -0.292 32.211 32.500 0.004 0.000 0.712 400 K HN 0.050 8.254 8.250 0.022 0.059 0.441 401 R N -1.186 119.282 120.500 -0.053 0.000 2.073 401 R HA -0.250 nan 4.340 nan 0.000 0.234 401 R C 2.424 178.666 176.300 -0.097 0.000 1.134 401 R CA 2.521 58.576 56.100 -0.075 0.000 0.952 401 R CB -0.723 29.522 30.300 -0.093 0.000 0.850 401 R HN -0.038 8.031 8.270 -0.040 0.177 0.433 402 I N -1.490 118.981 120.570 -0.165 0.000 2.248 402 I HA -0.578 nan 4.170 nan 0.000 0.248 402 I C 2.266 178.378 176.117 -0.008 0.000 1.107 402 I CA 3.789 65.011 61.300 -0.130 0.000 1.373 402 I CB -0.520 37.357 38.000 -0.205 0.000 1.055 402 I HN -0.544 7.519 8.210 -0.244 0.000 0.418 403 E N -0.633 119.577 120.200 0.016 0.000 2.072 403 E HA -0.351 nan 4.350 nan 0.000 0.191 403 E C 2.512 179.124 176.600 0.021 0.000 0.985 403 E CA 3.372 59.804 56.400 0.053 0.000 0.801 403 E CB -0.508 29.217 29.700 0.042 0.000 0.750 403 E HN -0.569 7.777 8.360 -0.010 0.009 0.452 404 E N -0.477 119.723 120.200 -0.001 0.000 2.160 404 E HA -0.277 nan 4.350 nan 0.000 0.195 404 E C 2.149 178.743 176.600 -0.010 0.000 0.991 404 E CA 2.543 58.938 56.400 -0.008 0.000 0.810 404 E CB -0.072 29.620 29.700 -0.014 0.000 0.742 404 E HN -0.652 7.704 8.360 -0.008 0.000 0.466 405 L N -3.999 117.217 121.223 -0.010 0.000 2.341 405 L HA -0.038 nan 4.340 nan 0.000 0.214 405 L C 1.218 178.088 176.870 0.001 0.000 1.115 405 L CA 1.827 56.660 54.840 -0.012 0.000 0.820 405 L CB 0.618 42.664 42.059 -0.022 0.000 0.944 405 L HN -0.398 7.812 8.230 -0.015 0.011 0.452 406 T N -8.197 106.374 114.554 0.028 0.000 2.969 406 T HA 0.224 nan 4.350 nan 0.000 0.250 406 T C 1.521 176.221 174.700 -0.000 0.000 1.021 406 T CA 0.151 62.279 62.100 0.047 0.000 1.003 406 T CB 1.161 70.135 68.868 0.177 0.000 1.040 406 T HN -0.748 7.359 8.240 0.035 0.154 0.492 407 G N 1.774 110.568 108.800 -0.010 0.000 2.205 407 G HA2 -0.372 nan 3.960 nan 0.000 0.261 407 G HA3 -0.372 nan 3.960 nan 0.000 0.261 407 G C -0.815 174.037 174.900 -0.081 0.000 0.980 407 G CA 0.312 45.385 45.100 -0.044 0.000 0.632 407 G HN 0.099 8.393 8.290 0.008 0.000 0.533 408 V N 2.752 122.605 119.914 -0.102 0.000 2.427 408 V HA 0.279 nan 4.120 nan 0.000 0.286 408 V C -1.864 174.148 176.094 -0.137 0.000 1.034 408 V CA -2.715 59.445 62.300 -0.233 0.000 0.893 408 V CB 0.724 32.208 31.823 -0.565 0.000 0.982 408 V HN -0.631 7.463 8.190 -0.035 0.075 0.452 409 P HA 0.172 nan 4.420 nan 0.000 0.277 409 P C -1.239 176.089 177.300 0.047 0.000 1.240 409 P CA -1.439 61.651 63.100 -0.016 0.000 0.798 409 P CB 1.294 32.982 31.700 -0.019 0.000 0.979 410 I N 1.666 122.314 120.570 0.130 0.000 2.322 410 I HA -0.170 nan 4.170 nan 0.000 0.292 410 I C -0.356 175.832 176.117 0.117 0.000 1.060 410 I CA 0.651 62.064 61.300 0.189 0.000 1.309 410 I CB -0.065 38.037 38.000 0.169 0.000 1.415 410 I HN -0.021 8.563 8.210 0.107 -0.310 0.492 411 D N 7.898 128.373 120.400 0.126 0.000 2.367 411 D HA 0.217 nan 4.640 nan 0.000 0.207 411 D C -0.974 175.371 176.300 0.075 0.000 1.034 411 D CA 1.705 55.765 54.000 0.101 0.000 0.861 411 D CB 1.620 42.508 40.800 0.145 0.000 0.943 411 D HN 0.220 8.685 8.370 0.158 0.000 0.515 412 I N -1.795 118.829 120.570 0.090 0.000 2.692 412 I HA 0.411 nan 4.170 nan 0.000 0.293 412 I C -2.446 173.713 176.117 0.069 0.000 1.200 412 I CA -0.164 61.174 61.300 0.063 0.000 1.036 412 I CB 4.769 42.798 38.000 0.049 0.000 1.258 412 I HN -0.399 7.886 8.210 0.124 0.000 0.421 413 I N 5.380 125.979 120.570 0.047 0.000 2.411 413 I HA 0.413 nan 4.170 nan 0.000 0.284 413 I C -1.502 174.633 176.117 0.030 0.000 1.012 413 I CA -1.306 60.021 61.300 0.045 0.000 1.119 413 I CB 1.979 40.000 38.000 0.036 0.000 1.261 413 I HN 1.151 9.255 8.210 0.035 0.127 0.448 414 S N 7.561 123.282 115.700 0.036 0.000 2.399 414 S HA 0.340 nan 4.470 nan 0.000 0.301 414 S C 0.277 174.883 174.600 0.010 0.000 1.093 414 S CA -1.094 57.118 58.200 0.020 0.000 1.077 414 S CB 0.597 63.816 63.200 0.031 0.000 0.980 414 S HN -0.047 8.293 8.310 0.050 0.000 0.494 415 T N 2.590 117.122 114.554 -0.036 0.000 3.312 415 T HA 0.372 nan 4.350 nan 0.000 0.251 415 T C -0.923 173.648 174.700 -0.216 0.000 1.012 415 T CA -1.883 60.167 62.100 -0.083 0.000 0.925 415 T CB -0.381 68.423 68.868 -0.108 0.000 1.049 415 T HN 0.664 8.765 8.240 -0.049 0.110 0.583 416 G N 0.332 109.057 108.800 -0.125 0.000 2.369 416 G HA2 -0.022 nan 3.960 nan 0.000 0.295 416 G HA3 -0.022 nan 3.960 nan 0.000 0.295 416 G C -2.801 172.083 174.900 -0.026 0.000 1.298 416 G CA 0.305 45.326 45.100 -0.131 0.000 0.940 416 G HN -0.856 7.331 8.290 -0.047 0.074 0.536 417 P HA -0.016 nan 4.420 nan 0.000 0.224 417 P C -0.323 176.992 177.300 0.026 0.000 1.157 417 P CA 0.624 63.754 63.100 0.051 0.000 0.799 417 P CB 0.464 32.219 31.700 0.092 0.000 0.809 418 D N 0.880 121.284 120.400 0.007 0.000 2.378 418 D HA -0.177 nan 4.640 nan 0.000 0.238 418 D C 0.647 176.946 176.300 -0.001 0.000 1.180 418 D CA -0.155 53.849 54.000 0.006 0.000 0.895 418 D CB 1.524 42.322 40.800 -0.003 0.000 1.192 418 D HN -0.785 7.753 8.370 -0.013 -0.176 0.438 419 R N 1.921 122.426 120.500 0.009 0.000 2.120 419 R HA -0.237 nan 4.340 nan 0.000 0.234 419 R C 1.944 178.245 176.300 0.002 0.000 1.123 419 R CA 2.953 59.061 56.100 0.013 0.000 0.975 419 R CB -0.337 29.974 30.300 0.019 0.000 0.866 419 R HN 0.383 8.661 8.270 0.014 0.000 0.446 420 T N -5.884 108.666 114.554 -0.007 0.000 3.067 420 T HA 0.035 nan 4.350 nan 0.000 0.261 420 T C 0.907 175.587 174.700 -0.034 0.000 1.110 420 T CA 1.854 63.946 62.100 -0.015 0.000 1.113 420 T CB -0.354 68.507 68.868 -0.012 0.000 0.917 420 T HN -0.034 8.524 8.240 -0.006 -0.322 0.499 421 E N 2.904 123.068 120.200 -0.060 0.000 2.148 421 E HA 0.107 nan 4.350 nan 0.000 0.308 421 E C -1.732 174.829 176.600 -0.066 0.000 1.278 421 E CA -0.801 55.540 56.400 -0.098 0.000 1.368 421 E CB -1.501 28.083 29.700 -0.194 0.000 1.229 421 E HN -0.478 7.848 8.360 -0.057 0.000 0.494 422 T N 0.911 115.443 114.554 -0.036 0.000 3.071 422 T HA 0.374 nan 4.350 nan 0.000 0.311 422 T C -1.360 173.335 174.700 -0.007 0.000 1.042 422 T CA -0.774 61.317 62.100 -0.016 0.000 1.028 422 T CB 1.891 70.758 68.868 -0.002 0.000 1.068 422 T HN -0.035 8.134 8.240 -0.033 0.051 0.451 423 M N 6.029 125.628 119.600 -0.001 0.000 2.080 423 M HA 0.307 nan 4.480 nan 0.000 0.350 423 M C -1.344 174.963 176.300 0.013 0.000 1.173 423 M CA -0.686 54.617 55.300 0.004 0.000 1.052 423 M CB 2.384 34.986 32.600 0.004 0.000 1.577 423 M HN 1.096 9.272 8.290 0.001 0.115 0.455 424 I N 5.983 126.559 120.570 0.011 0.000 2.361 424 I HA 0.038 nan 4.170 nan 0.000 0.282 424 I C -0.455 175.670 176.117 0.012 0.000 1.075 424 I CA -0.180 61.126 61.300 0.011 0.000 1.205 424 I CB -0.242 37.762 38.000 0.007 0.000 1.406 424 I HN 0.612 8.826 8.210 0.008 0.000 0.481 425 L N 7.808 129.042 121.223 0.020 0.000 2.291 425 L HA -0.194 nan 4.340 nan 0.000 0.214 425 L C 0.626 177.509 176.870 0.021 0.000 1.120 425 L CA 2.507 57.360 54.840 0.022 0.000 0.799 425 L CB 0.294 42.372 42.059 0.031 0.000 0.925 425 L HN 0.591 8.749 8.230 0.026 0.088 0.446 426 R N -2.355 118.154 120.500 0.015 0.000 2.840 426 R HA 0.102 nan 4.340 nan 0.000 0.173 426 R C -0.875 175.403 176.300 -0.038 0.000 0.791 426 R CA -0.324 55.780 56.100 0.007 0.000 1.069 426 R CB 2.893 33.219 30.300 0.043 0.000 1.537 426 R HN -0.506 7.738 8.270 0.012 0.034 0.609 427 D N -0.929 119.420 120.400 -0.084 0.000 4.535 427 D HA -0.052 nan 4.640 nan 0.000 0.236 427 D C -1.932 174.185 176.300 -0.305 0.000 1.142 427 D CA -0.077 53.842 54.000 -0.134 0.000 1.102 427 D CB 0.084 40.859 40.800 -0.042 0.000 0.703 427 D HN -0.276 8.053 8.370 -0.068 0.000 0.331 428 P HA -0.180 nan 4.420 nan 0.000 0.216 428 P C -0.349 176.445 177.300 -0.844 0.000 1.150 428 P CA 2.256 64.596 63.100 -1.268 0.000 0.843 428 P CB 0.131 31.041 31.700 -1.317 0.000 0.787 429 F N -4.266 115.383 119.950 -0.501 0.000 2.325 429 F HA -0.162 nan 4.527 nan 0.000 0.299 429 F C 1.449 177.021 175.800 -0.380 0.000 1.090 429 F CA 2.670 60.329 58.000 -0.569 0.000 1.392 429 F CB -0.146 38.284 39.000 -0.950 0.000 1.053 429 F HN -0.463 7.541 8.300 -0.461 0.019 0.521 430 D N -1.482 118.873 120.400 -0.074 0.000 2.271 430 D HA -0.029 nan 4.640 nan 0.000 0.206 430 D C 0.320 176.618 176.300 -0.004 0.000 0.967 430 D CA 0.285 54.279 54.000 -0.010 0.000 0.867 430 D CB 0.688 41.497 40.800 0.015 0.000 0.960 430 D HN -0.704 7.577 8.370 -0.110 0.023 0.509 431 A N 0.000 122.802 122.820 -0.030 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.063 52.037 0.043 0.000 0.836 431 A CB 0.000 19.069 19.000 0.114 0.000 0.831 431 A HN 0.000 8.085 8.150 -0.108 0.000 0.486