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 1hop_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 3.969 3.960 0.016 0.000 0.244 1 G C 0.000 174.919 174.900 0.032 0.000 0.946 1 G CA 0.000 45.119 45.100 0.031 0.000 0.502 2 N N -1.867 116.894 118.700 0.101 0.000 2.149 2 N HA 0.004 nan 4.740 nan 0.000 0.311 2 N C -2.015 173.649 175.510 0.258 0.000 1.063 2 N CA 1.059 54.204 53.050 0.157 0.000 0.690 2 N CB 1.934 40.521 38.487 0.167 0.000 1.958 2 N HN 0.072 8.522 8.380 0.117 0.000 0.766 3 N N 0.264 119.106 118.700 0.236 0.000 2.626 3 N HA 0.393 nan 4.740 nan 0.000 0.242 3 N C -1.878 173.793 175.510 0.268 0.000 1.005 3 N CA -0.560 52.680 53.050 0.318 0.000 0.905 3 N CB 1.168 39.847 38.487 0.321 0.000 1.128 3 N HN -0.333 8.448 8.380 0.187 -0.288 0.512 4 V N 5.352 125.427 119.914 0.268 0.000 2.472 4 V HA 0.631 nan 4.120 nan 0.000 0.290 4 V C -1.670 174.554 176.094 0.217 0.000 1.037 4 V CA -0.617 61.749 62.300 0.110 0.000 0.908 4 V CB 2.264 33.918 31.823 -0.281 0.000 0.985 4 V HN 0.531 8.929 8.190 0.348 0.000 0.454 5 V N 7.389 127.384 119.914 0.136 0.000 2.448 5 V HA 0.639 nan 4.120 nan 0.000 0.295 5 V C -1.634 174.517 176.094 0.096 0.000 1.025 5 V CA -1.063 61.311 62.300 0.124 0.000 0.859 5 V CB 2.012 33.816 31.823 -0.030 0.000 0.988 5 V HN 0.861 9.113 8.190 0.103 0.000 0.431 6 V N 7.628 127.626 119.914 0.140 0.000 2.448 6 V HA 0.932 nan 4.120 nan 0.000 0.295 6 V C -1.842 174.326 176.094 0.124 0.000 1.025 6 V CA -1.286 61.075 62.300 0.102 0.000 0.859 6 V CB 0.783 32.653 31.823 0.078 0.000 0.988 6 V HN 0.385 8.700 8.190 0.209 0.000 0.431 7 L N 2.422 123.696 121.223 0.084 0.000 2.710 7 L HA 0.661 nan 4.340 nan 0.000 0.260 7 L C -1.186 175.717 176.870 0.054 0.000 0.993 7 L CA -1.305 53.584 54.840 0.083 0.000 0.877 7 L CB 2.013 44.144 42.059 0.120 0.000 1.461 7 L HN 0.716 8.982 8.230 0.059 0.000 0.413 8 G N -1.818 107.005 108.800 0.038 0.000 2.361 8 G HA2 -0.033 nan 3.960 nan 0.000 0.260 8 G HA3 -0.033 nan 3.960 nan 0.000 0.260 8 G C -0.097 174.803 174.900 -0.001 0.000 1.261 8 G CA 0.242 45.352 45.100 0.017 0.000 0.897 8 G HN 0.493 8.807 8.290 0.040 0.000 0.499 9 T N 0.314 114.874 114.554 0.009 0.000 3.107 9 T HA 0.090 nan 4.350 nan 0.000 0.249 9 T C 0.261 174.871 174.700 -0.149 0.000 1.096 9 T CA 0.530 62.628 62.100 -0.004 0.000 1.012 9 T CB -0.214 68.764 68.868 0.183 0.000 0.977 9 T HN -0.011 8.248 8.240 0.031 0.000 0.527 10 Q N -0.578 119.110 119.800 -0.187 0.000 3.134 10 Q HA 0.285 nan 4.340 nan 0.000 0.212 10 Q C -0.096 175.679 176.000 -0.375 0.000 1.140 10 Q CA -0.807 54.761 55.803 -0.391 0.000 0.488 10 Q CB 2.190 30.776 28.738 -0.253 0.000 4.910 10 Q HN -0.363 8.058 8.270 -0.110 -0.217 0.305 11 W N -0.785 120.447 121.300 -0.114 0.000 2.987 11 W HA 0.125 nan 4.660 nan 0.000 0.441 11 W C -0.208 176.255 176.519 -0.093 0.000 0.853 11 W CA -0.353 56.918 57.345 -0.123 0.000 2.222 11 W CB -0.646 28.690 29.460 -0.207 0.000 1.139 11 W HN 0.429 8.680 8.180 0.117 0.000 0.819 12 G N -0.174 108.678 108.800 0.087 0.000 2.758 12 G HA2 -0.404 nan 3.960 nan 0.000 0.686 12 G HA3 -0.404 nan 3.960 nan 0.000 0.686 12 G C -2.046 172.874 174.900 0.034 0.000 1.389 12 G CA -0.324 44.807 45.100 0.052 0.000 0.845 12 G HN -0.116 8.427 8.290 0.029 -0.237 0.572 13 D N -3.644 116.765 120.400 0.014 0.000 2.947 13 D HA -0.425 nan 4.640 nan 0.000 0.224 13 D C 0.436 176.718 176.300 -0.031 0.000 1.132 13 D CA 1.355 55.355 54.000 -0.001 0.000 0.801 13 D CB -0.794 40.010 40.800 0.007 0.000 1.097 13 D HN 0.337 8.717 8.370 0.015 0.000 0.431 14 E N -1.171 119.009 120.200 -0.032 0.000 2.285 14 E HA -0.137 nan 4.350 nan 0.000 0.194 14 E C 1.036 177.608 176.600 -0.047 0.000 0.997 14 E CA 1.449 57.816 56.400 -0.055 0.000 0.845 14 E CB -0.066 29.612 29.700 -0.036 0.000 0.782 14 E HN 0.282 8.610 8.360 -0.018 0.022 0.491 15 G N -3.101 105.679 108.800 -0.033 0.000 2.226 15 G HA2 -0.292 nan 3.960 nan 0.000 0.176 15 G HA3 -0.292 nan 3.960 nan 0.000 0.176 15 G C 0.744 175.622 174.900 -0.037 0.000 1.042 15 G CA -0.025 45.057 45.100 -0.029 0.000 0.732 15 G HN -0.003 8.229 8.290 -0.029 0.041 0.494 16 K N 0.926 121.299 120.400 -0.046 0.000 2.097 16 K HA -0.302 nan 4.320 nan 0.000 0.206 16 K C 1.720 178.251 176.600 -0.114 0.000 1.049 16 K CA 2.192 58.446 56.287 -0.054 0.000 0.933 16 K CB -0.434 32.042 32.500 -0.041 0.000 0.717 16 K HN 0.122 8.348 8.250 -0.040 0.000 0.442 17 G N -0.938 107.739 108.800 -0.205 0.000 2.624 17 G HA2 -0.429 nan 3.960 nan 0.000 0.221 17 G HA3 -0.429 nan 3.960 nan 0.000 0.221 17 G C 0.909 175.671 174.900 -0.230 0.000 1.169 17 G CA 2.062 46.910 45.100 -0.420 0.000 0.771 17 G HN 0.271 8.459 8.290 -0.170 0.000 0.598 18 K N 1.089 121.430 120.400 -0.099 0.000 2.057 18 K HA -0.217 nan 4.320 nan 0.000 0.207 18 K C 2.297 178.890 176.600 -0.012 0.000 1.049 18 K CA 2.952 59.223 56.287 -0.026 0.000 0.931 18 K CB -0.054 32.439 32.500 -0.012 0.000 0.714 18 K HN -0.332 7.864 8.250 -0.090 0.000 0.440 19 I N -0.709 119.848 120.570 -0.021 0.000 2.179 19 I HA -0.354 nan 4.170 nan 0.000 0.242 19 I C 2.123 178.247 176.117 0.013 0.000 1.088 19 I CA 1.940 63.238 61.300 -0.003 0.000 1.357 19 I CB -1.315 36.683 38.000 -0.003 0.000 1.051 19 I HN -0.572 7.601 8.210 -0.037 0.014 0.409 20 V N 1.435 121.350 119.914 0.002 0.000 2.295 20 V HA -0.537 nan 4.120 nan 0.000 0.246 20 V C 1.951 178.092 176.094 0.078 0.000 1.049 20 V CA 5.083 67.407 62.300 0.039 0.000 1.024 20 V CB -1.124 30.711 31.823 0.020 0.000 0.648 20 V HN 0.231 8.401 8.190 -0.034 0.000 0.447 21 D N -0.198 120.252 120.400 0.082 0.000 2.104 21 D HA -0.317 nan 4.640 nan 0.000 0.194 21 D C 2.657 179.010 176.300 0.088 0.000 0.994 21 D CA 3.958 58.029 54.000 0.119 0.000 0.830 21 D CB -0.289 40.593 40.800 0.136 0.000 0.959 21 D HN -0.169 8.223 8.370 0.038 0.000 0.452 22 L N 0.651 121.915 121.223 0.068 0.000 1.989 22 L HA -0.302 nan 4.340 nan 0.000 0.211 22 L C 2.069 178.996 176.870 0.095 0.000 1.071 22 L CA 3.311 58.189 54.840 0.065 0.000 0.749 22 L CB 0.101 42.186 42.059 0.043 0.000 0.890 22 L HN -0.482 7.787 8.230 0.055 -0.007 0.431 23 L N -3.085 118.206 121.223 0.113 0.000 2.093 23 L HA -0.403 nan 4.340 nan 0.000 0.208 23 L C 2.145 179.159 176.870 0.240 0.000 1.085 23 L CA 3.024 57.989 54.840 0.208 0.000 0.755 23 L CB -0.669 41.488 42.059 0.164 0.000 0.904 23 L HN 0.338 8.617 8.230 0.083 0.000 0.435 24 T N -5.072 109.578 114.554 0.160 0.000 3.118 24 T HA -0.345 nan 4.350 nan 0.000 0.269 24 T C 0.967 175.712 174.700 0.075 0.000 1.166 24 T CA 2.707 64.879 62.100 0.119 0.000 1.073 24 T CB -1.122 67.800 68.868 0.091 0.000 0.884 24 T HN 0.134 8.455 8.240 0.136 0.000 0.550 25 E N -0.601 119.648 120.200 0.082 0.000 2.442 25 E HA -0.043 nan 4.350 nan 0.000 0.195 25 E C 1.187 177.805 176.600 0.030 0.000 1.030 25 E CA 1.051 57.478 56.400 0.044 0.000 0.869 25 E CB 0.283 30.010 29.700 0.046 0.000 0.857 25 E HN -0.593 7.767 8.360 0.107 0.064 0.505 26 R N -3.173 117.364 120.500 0.062 0.000 2.344 26 R HA 0.093 nan 4.340 nan 0.000 0.209 26 R C -0.316 175.925 176.300 -0.098 0.000 0.886 26 R CA -0.109 56.001 56.100 0.017 0.000 1.040 26 R CB 1.488 31.848 30.300 0.101 0.000 1.114 26 R HN 0.180 8.349 8.270 0.124 0.175 0.547 27 A N -0.102 122.683 122.820 -0.058 0.000 2.331 27 A HA 0.038 nan 4.320 nan 0.000 0.283 27 A C -0.943 176.583 177.584 -0.098 0.000 1.142 27 A CA 0.015 52.020 52.037 -0.054 0.000 0.812 27 A CB 0.691 19.762 19.000 0.118 0.000 1.074 27 A HN -0.701 7.369 8.150 0.040 0.104 0.497 28 K N 2.707 123.026 120.400 -0.135 0.000 2.314 28 K HA -0.046 nan 4.320 nan 0.000 0.198 28 K C -0.326 175.958 176.600 -0.527 0.000 1.045 28 K CA 0.800 56.903 56.287 -0.307 0.000 0.988 28 K CB 1.579 33.898 32.500 -0.301 0.000 0.783 28 K HN 0.401 8.519 8.250 -0.050 0.103 0.484 29 Y N -4.711 115.569 120.300 -0.035 0.000 2.492 29 Y HA 0.513 nan 4.550 nan 0.000 0.346 29 Y C -1.890 173.972 175.900 -0.064 0.000 0.997 29 Y CA -1.057 57.013 58.100 -0.050 0.000 1.025 29 Y CB 3.889 42.305 38.460 -0.074 0.000 1.263 29 Y HN -0.562 7.754 8.280 0.060 0.000 0.454 30 V N 2.326 122.299 119.914 0.099 0.000 2.540 30 V HA 0.715 nan 4.120 nan 0.000 0.302 30 V C -1.845 174.265 176.094 0.026 0.000 1.035 30 V CA -0.821 61.506 62.300 0.044 0.000 0.873 30 V CB 2.039 33.901 31.823 0.065 0.000 0.992 30 V HN 0.548 8.813 8.190 0.125 0.000 0.428 31 V N 6.676 126.574 119.914 -0.026 0.000 2.577 31 V HA 0.647 nan 4.120 nan 0.000 0.303 31 V C -1.321 174.923 176.094 0.251 0.000 1.042 31 V CA -1.410 60.929 62.300 0.065 0.000 0.872 31 V CB 2.830 34.611 31.823 -0.070 0.000 0.998 31 V HN 0.996 9.142 8.190 -0.073 0.000 0.423 32 R N 5.613 126.248 120.500 0.226 0.000 2.357 32 R HA 0.484 nan 4.340 nan 0.000 0.296 32 R C -0.211 176.265 176.300 0.295 0.000 1.052 32 R CA -1.798 54.425 56.100 0.205 0.000 0.988 32 R CB 1.169 31.539 30.300 0.117 0.000 1.025 32 R HN 0.167 8.542 8.270 0.176 0.000 0.469 33 Y N -0.642 119.766 120.300 0.180 0.000 2.499 33 Y HA 0.170 nan 4.550 nan 0.000 0.253 33 Y C -1.773 174.199 175.900 0.121 0.000 1.105 33 Y CA -1.901 56.297 58.100 0.163 0.000 1.240 33 Y CB 2.014 40.578 38.460 0.173 0.000 1.289 33 Y HN -0.190 8.038 8.280 -0.087 0.000 0.534 34 Q N -3.229 116.432 119.800 -0.231 0.000 2.403 34 Q HA 0.188 nan 4.340 nan 0.000 0.267 34 Q C -1.264 174.699 176.000 -0.062 0.000 0.991 34 Q CA -0.245 55.496 55.803 -0.104 0.000 0.906 34 Q CB 2.894 31.529 28.738 -0.171 0.000 1.422 34 Q HN -0.660 7.414 8.270 -0.327 0.000 0.400 35 G N 3.307 112.173 108.800 0.111 0.000 2.298 35 G HA2 -0.158 nan 3.960 nan 0.000 0.309 35 G HA3 -0.158 nan 3.960 nan 0.000 0.309 35 G C -2.826 172.111 174.900 0.063 0.000 1.279 35 G CA -0.001 45.148 45.100 0.082 0.000 1.042 35 G HN 0.167 8.621 8.290 0.274 0.000 0.480 36 G N -2.815 105.991 108.800 0.010 0.000 3.187 36 G HA2 0.354 nan 3.960 nan 0.000 0.175 36 G HA3 0.354 nan 3.960 nan 0.000 0.175 36 G C -2.374 172.568 174.900 0.071 0.000 1.112 36 G CA 0.479 45.585 45.100 0.009 0.000 0.821 36 G HN -0.241 8.326 8.290 -0.002 -0.279 0.636 37 H N -1.892 117.181 119.070 0.004 0.000 2.794 37 H HA 0.314 nan 4.556 nan 0.000 0.256 37 H C -0.854 174.521 175.328 0.078 0.000 1.637 37 H CA -1.491 54.585 56.048 0.047 0.000 1.222 37 H CB -1.603 28.165 29.762 0.009 0.000 1.545 37 H HN 0.196 8.277 8.280 -0.332 0.000 0.518 38 N N 1.781 120.511 118.700 0.049 0.000 2.414 38 N HA -0.136 nan 4.740 nan 0.000 0.189 38 N C 1.374 176.998 175.510 0.190 0.000 1.039 38 N CA 1.306 54.401 53.050 0.074 0.000 0.889 38 N CB -0.150 38.349 38.487 0.021 0.000 1.085 38 N HN -0.413 7.899 8.380 0.049 0.098 0.442 39 A N 0.963 123.857 122.820 0.124 0.000 1.745 39 A HA -0.384 nan 4.320 nan 0.000 0.339 39 A C 0.569 178.199 177.584 0.076 0.000 4.536 39 A CA 1.914 54.008 52.037 0.094 0.000 1.018 39 A CB -1.101 17.955 19.000 0.094 0.000 0.591 39 A HN 0.212 8.416 8.150 0.090 0.000 0.481 40 G N 0.594 109.396 108.800 0.004 0.000 2.547 40 G HA2 -0.355 nan 3.960 nan 0.000 0.226 40 G HA3 -0.355 nan 3.960 nan 0.000 0.226 40 G C -1.524 173.381 174.900 0.009 0.000 0.871 40 G CA -0.011 45.029 45.100 -0.099 0.000 1.142 40 G HN 0.041 8.309 8.290 -0.037 0.000 0.362 41 H N 4.128 123.096 119.070 -0.170 0.000 3.224 41 H HA 0.221 nan 4.556 nan 0.000 0.331 41 H C -1.617 173.663 175.328 -0.080 0.000 1.002 41 H CA -1.372 54.627 56.048 -0.082 0.000 1.473 41 H CB 2.910 32.642 29.762 -0.050 0.000 1.830 41 H HN -0.420 7.764 8.280 -0.160 0.000 0.485 42 T N 3.529 118.204 114.554 0.202 0.000 2.751 42 T HA 0.087 nan 4.350 nan 0.000 0.290 42 T C -0.601 174.101 174.700 0.004 0.000 0.919 42 T CA -0.268 61.870 62.100 0.064 0.000 1.136 42 T CB -0.287 68.630 68.868 0.082 0.000 0.875 42 T HN 0.328 8.729 8.240 0.268 0.000 0.532 43 L N 8.318 129.464 121.223 -0.128 0.000 2.305 43 L HA 0.340 nan 4.340 nan 0.000 0.284 43 L C -0.769 176.066 176.870 -0.059 0.000 1.013 43 L CA -0.967 53.785 54.840 -0.147 0.000 0.819 43 L CB 2.660 44.581 42.059 -0.231 0.000 1.227 43 L HN 1.182 9.218 8.230 -0.122 0.121 0.417 44 V N 6.986 126.887 119.914 -0.022 0.000 2.157 44 V HA -0.000 nan 4.120 nan 0.000 0.241 44 V C 0.105 176.190 176.094 -0.016 0.000 1.349 44 V CA -0.837 61.458 62.300 -0.007 0.000 1.319 44 V CB -2.102 29.727 31.823 0.010 0.000 1.421 44 V HN 0.599 8.784 8.190 -0.008 0.000 0.501 45 I N 6.670 127.224 120.570 -0.027 0.000 3.188 45 I HA -0.333 nan 4.170 nan 0.000 0.309 45 I C 0.254 176.362 176.117 -0.015 0.000 1.161 45 I CA -0.177 61.107 61.300 -0.026 0.000 1.904 45 I CB -3.267 34.715 38.000 -0.029 0.000 1.609 45 I HN -0.116 8.056 8.210 -0.030 0.021 0.907 46 N N 7.193 125.887 118.700 -0.011 0.000 2.678 46 N HA -0.444 nan 4.740 nan 0.000 0.268 46 N C -0.524 174.984 175.510 -0.003 0.000 1.010 46 N CA 0.824 53.871 53.050 -0.005 0.000 0.784 46 N CB -0.853 37.630 38.487 -0.007 0.000 0.905 46 N HN 0.424 8.771 8.380 -0.012 0.026 0.552 47 G N -0.886 107.914 108.800 0.000 0.000 2.659 47 G HA2 -0.395 nan 3.960 nan 0.000 0.202 47 G HA3 -0.395 nan 3.960 nan 0.000 0.202 47 G C -1.054 173.848 174.900 0.002 0.000 1.186 47 G CA -0.125 44.976 45.100 0.002 0.000 0.783 47 G HN -0.061 8.229 8.290 0.001 0.000 0.521 48 E N 3.460 123.660 120.200 -0.001 0.000 2.249 48 E HA 0.126 nan 4.350 nan 0.000 0.280 48 E C -1.480 175.118 176.600 -0.003 0.000 1.016 48 E CA -0.859 55.540 56.400 -0.001 0.000 0.830 48 E CB 1.325 31.023 29.700 -0.003 0.000 1.081 48 E HN -0.319 7.980 8.360 -0.004 0.059 0.395 49 K N 1.630 122.031 120.400 0.001 0.000 2.234 49 K HA 0.297 nan 4.320 nan 0.000 0.277 49 K C -0.711 175.886 176.600 -0.005 0.000 1.038 49 K CA -0.695 55.591 56.287 -0.000 0.000 0.888 49 K CB 0.777 33.284 32.500 0.011 0.000 1.091 49 K HN 0.083 8.336 8.250 0.004 0.000 0.467 50 T N 5.335 119.876 114.554 -0.022 0.000 2.893 50 T HA 0.334 nan 4.350 nan 0.000 0.291 50 T C -1.797 172.871 174.700 -0.054 0.000 1.028 50 T CA -0.896 61.187 62.100 -0.028 0.000 0.995 50 T CB 2.794 71.641 68.868 -0.034 0.000 1.051 50 T HN 1.028 9.124 8.240 -0.033 0.124 0.470 51 V N 3.580 123.465 119.914 -0.048 0.000 2.294 51 V HA 0.546 nan 4.120 nan 0.000 0.272 51 V C -0.760 175.211 176.094 -0.205 0.000 1.027 51 V CA -0.860 61.370 62.300 -0.117 0.000 0.823 51 V CB -0.807 30.975 31.823 -0.068 0.000 1.030 51 V HN 0.409 8.591 8.190 -0.014 0.000 0.457 52 L N 6.903 127.989 121.223 -0.228 0.000 2.292 52 L HA 0.256 nan 4.340 nan 0.000 0.284 52 L C 0.052 176.756 176.870 -0.278 0.000 1.065 52 L CA -0.589 54.146 54.840 -0.174 0.000 0.806 52 L CB 0.836 42.827 42.059 -0.113 0.000 1.175 52 L HN 0.439 8.542 8.230 -0.211 0.000 0.431 53 H N 2.656 121.760 119.070 0.057 0.000 2.827 53 H HA 0.125 nan 4.556 nan 0.000 0.269 53 H C -0.579 174.802 175.328 0.090 0.000 1.031 53 H CA 1.700 57.796 56.048 0.081 0.000 1.202 53 H CB 1.840 31.661 29.762 0.099 0.000 1.511 53 H HN 0.811 9.531 8.280 0.113 -0.372 0.517 54 L N -2.961 118.355 121.223 0.154 0.000 2.753 54 L HA 0.130 nan 4.340 nan 0.000 0.238 54 L C -1.088 175.828 176.870 0.077 0.000 1.028 54 L CA 0.612 55.524 54.840 0.121 0.000 0.966 54 L CB 2.818 44.945 42.059 0.113 0.000 1.681 54 L HN -0.781 7.782 8.230 0.113 -0.265 0.511 55 I N 0.337 120.939 120.570 0.053 0.000 2.529 55 I HA -0.011 nan 4.170 nan 0.000 0.284 55 I C -1.776 174.363 176.117 0.037 0.000 1.082 55 I CA -1.285 60.037 61.300 0.037 0.000 1.406 55 I CB -0.254 37.756 38.000 0.016 0.000 1.405 55 I HN -0.534 8.032 8.210 0.051 -0.325 0.548 56 P HA 0.164 nan 4.420 nan 0.000 0.271 56 P C 0.425 177.749 177.300 0.039 0.000 1.216 56 P CA -0.570 62.572 63.100 0.069 0.000 0.771 56 P CB 0.583 32.329 31.700 0.077 0.000 0.864 57 S N 5.488 121.222 115.700 0.058 0.000 2.465 57 S HA -0.266 nan 4.470 nan 0.000 0.241 57 S C 1.926 176.537 174.600 0.018 0.000 1.000 57 S CA 2.781 60.967 58.200 -0.024 0.000 0.964 57 S CB -0.560 62.652 63.200 0.021 0.000 0.763 57 S HN 0.436 8.836 8.310 0.150 0.000 0.512 58 G N 0.941 109.772 108.800 0.052 0.000 2.708 58 G HA2 -0.166 nan 3.960 nan 0.000 0.210 58 G HA3 -0.166 nan 3.960 nan 0.000 0.210 58 G C 0.697 175.602 174.900 0.009 0.000 1.141 58 G CA 0.833 45.955 45.100 0.037 0.000 0.788 58 G HN 0.141 8.445 8.290 0.076 0.032 0.531 59 I N 1.877 122.448 120.570 0.002 0.000 2.617 59 I HA -0.219 nan 4.170 nan 0.000 0.256 59 I C 0.193 176.300 176.117 -0.017 0.000 1.167 59 I CA 1.115 62.410 61.300 -0.008 0.000 1.469 59 I CB 0.513 38.508 38.000 -0.008 0.000 1.098 59 I HN 0.447 8.481 8.210 0.004 0.178 0.436 60 L N -3.108 118.102 121.223 -0.022 0.000 2.633 60 L HA -0.178 nan 4.340 nan 0.000 0.235 60 L C -0.178 176.680 176.870 -0.019 0.000 1.163 60 L CA 0.488 55.314 54.840 -0.023 0.000 0.859 60 L CB -0.929 41.113 42.059 -0.028 0.000 0.973 60 L HN -0.822 7.370 8.230 -0.022 0.025 0.451 61 R N -1.630 118.859 120.500 -0.019 0.000 2.407 61 R HA 0.223 nan 4.340 nan 0.000 0.303 61 R C 0.271 176.549 176.300 -0.036 0.000 0.981 61 R CA -1.466 54.619 56.100 -0.025 0.000 0.905 61 R CB 0.941 31.226 30.300 -0.024 0.000 1.099 61 R HN -0.958 7.220 8.270 -0.018 0.082 0.459 62 E N 2.511 122.689 120.200 -0.037 0.000 2.409 62 E HA -0.179 nan 4.350 nan 0.000 0.198 62 E C -0.031 176.533 176.600 -0.060 0.000 1.024 62 E CA 2.246 58.621 56.400 -0.043 0.000 0.861 62 E CB -0.372 29.305 29.700 -0.037 0.000 0.788 62 E HN 0.523 8.864 8.360 -0.032 0.000 0.521 63 N N -2.744 115.910 118.700 -0.077 0.000 2.545 63 N HA 0.154 nan 4.740 nan 0.000 0.283 63 N C -1.834 173.583 175.510 -0.155 0.000 1.596 63 N CA -0.180 52.803 53.050 -0.110 0.000 0.862 63 N CB 1.044 39.464 38.487 -0.112 0.000 1.422 63 N HN -0.278 8.009 8.380 -0.070 0.050 0.489 64 V N 0.247 120.078 119.914 -0.139 0.000 2.638 64 V HA 0.276 nan 4.120 nan 0.000 0.306 64 V C -0.641 175.364 176.094 -0.148 0.000 1.052 64 V CA -1.075 61.121 62.300 -0.173 0.000 0.885 64 V CB 2.756 34.522 31.823 -0.094 0.000 0.999 64 V HN -0.738 7.391 8.190 -0.102 0.000 0.424 65 T N 9.322 123.748 114.554 -0.214 0.000 2.837 65 T HA 0.467 nan 4.350 nan 0.000 0.285 65 T C -1.084 173.636 174.700 0.034 0.000 0.984 65 T CA -0.765 61.294 62.100 -0.068 0.000 1.049 65 T CB 1.583 70.448 68.868 -0.005 0.000 0.947 65 T HN 0.359 8.359 8.240 -0.400 0.000 0.472 66 S N 5.793 121.525 115.700 0.053 0.000 2.451 66 S HA 0.881 nan 4.470 nan 0.000 0.301 66 S C -1.590 173.064 174.600 0.090 0.000 1.116 66 S CA -0.551 57.691 58.200 0.069 0.000 1.093 66 S CB 1.077 64.305 63.200 0.047 0.000 1.017 66 S HN 1.011 9.346 8.310 0.040 0.000 0.482 67 I N 3.678 124.308 120.570 0.100 0.000 2.436 67 I HA 0.575 nan 4.170 nan 0.000 0.289 67 I C -1.385 174.794 176.117 0.104 0.000 1.010 67 I CA -0.973 60.388 61.300 0.101 0.000 1.098 67 I CB 2.812 40.875 38.000 0.105 0.000 1.266 67 I HN 0.949 9.218 8.210 0.098 0.000 0.434 68 I N 7.268 127.894 120.570 0.093 0.000 2.269 68 I HA 0.185 nan 4.170 nan 0.000 0.293 68 I C -0.239 175.946 176.117 0.115 0.000 1.106 68 I CA -0.808 60.551 61.300 0.098 0.000 1.248 68 I CB -0.626 37.419 38.000 0.075 0.000 1.444 68 I HN 0.922 9.071 8.210 0.083 0.111 0.497 69 G N 5.837 114.727 108.800 0.151 0.000 2.614 69 G HA2 -0.138 nan 3.960 nan 0.000 0.239 69 G HA3 -0.138 nan 3.960 nan 0.000 0.239 69 G C 0.500 175.490 174.900 0.149 0.000 1.240 69 G CA -0.914 44.288 45.100 0.170 0.000 0.842 69 G HN -0.094 8.299 8.290 0.171 0.000 0.584 70 N N 1.398 120.182 118.700 0.140 0.000 2.513 70 N HA -0.322 nan 4.740 nan 0.000 0.187 70 N C 0.877 176.474 175.510 0.145 0.000 1.056 70 N CA 2.165 55.291 53.050 0.126 0.000 0.907 70 N CB -0.630 37.924 38.487 0.112 0.000 0.954 70 N HN 0.503 8.967 8.380 0.140 0.000 0.445 71 G N -1.446 107.456 108.800 0.170 0.000 2.813 71 G HA2 -0.010 nan 3.960 nan 0.000 0.209 71 G HA3 -0.010 nan 3.960 nan 0.000 0.209 71 G C -1.201 173.836 174.900 0.228 0.000 1.150 71 G CA 0.075 45.292 45.100 0.194 0.000 0.785 71 G HN -0.588 7.758 8.290 0.182 0.054 0.535 72 V N 1.299 121.312 119.914 0.164 0.000 2.439 72 V HA 0.396 nan 4.120 nan 0.000 0.282 72 V C 0.246 176.372 176.094 0.053 0.000 1.039 72 V CA -0.399 61.972 62.300 0.119 0.000 0.913 72 V CB 0.440 32.316 31.823 0.090 0.000 0.983 72 V HN -0.571 7.651 8.190 0.147 0.057 0.460 73 V N 3.013 122.892 119.914 -0.057 0.000 2.555 73 V HA 0.232 nan 4.120 nan 0.000 0.286 73 V C -0.979 175.079 176.094 -0.060 0.000 1.044 73 V CA -0.955 61.240 62.300 -0.176 0.000 1.026 73 V CB -0.343 31.232 31.823 -0.414 0.000 0.981 73 V HN 0.447 8.616 8.190 -0.036 0.000 0.480 74 L N 6.546 127.742 121.223 -0.046 0.000 2.282 74 L HA 0.460 nan 4.340 nan 0.000 0.288 74 L C -1.464 175.377 176.870 -0.048 0.000 1.033 74 L CA -1.021 53.806 54.840 -0.021 0.000 0.807 74 L CB 3.318 45.373 42.059 -0.007 0.000 1.209 74 L HN 1.179 9.255 8.230 -0.058 0.119 0.423 75 S N 5.905 121.555 115.700 -0.084 0.000 2.520 75 S HA 0.463 nan 4.470 nan 0.000 0.324 75 S C -1.325 173.197 174.600 -0.129 0.000 1.069 75 S CA -4.653 53.455 58.200 -0.154 0.000 1.121 75 S CB 0.735 63.708 63.200 -0.378 0.000 0.971 75 S HN 0.476 8.745 8.310 -0.069 0.000 0.463 76 P HA -0.208 nan 4.420 nan 0.000 0.213 76 P C 0.237 177.487 177.300 -0.083 0.000 1.170 76 P CA 2.323 65.380 63.100 -0.072 0.000 0.893 76 P CB 0.063 31.730 31.700 -0.056 0.000 0.784 77 A N -4.075 118.693 122.820 -0.087 0.000 1.915 77 A HA -0.363 nan 4.320 nan 0.000 0.220 77 A C 1.859 179.380 177.584 -0.104 0.000 1.198 77 A CA 2.918 54.904 52.037 -0.086 0.000 0.647 77 A CB -0.877 18.070 19.000 -0.088 0.000 0.825 77 A HN 0.306 8.408 8.150 -0.080 0.000 0.456 78 A N -2.096 120.625 122.820 -0.165 0.000 1.872 78 A HA -0.164 nan 4.320 nan 0.000 0.214 78 A C 2.056 179.584 177.584 -0.094 0.000 1.187 78 A CA 2.438 54.369 52.037 -0.177 0.000 0.614 78 A CB -0.407 18.360 19.000 -0.388 0.000 0.826 78 A HN -0.719 7.222 8.150 -0.206 0.085 0.442 79 L N -1.487 119.687 121.223 -0.082 0.000 2.141 79 L HA -0.268 nan 4.340 nan 0.000 0.209 79 L C 2.065 178.916 176.870 -0.032 0.000 1.094 79 L CA 2.930 57.746 54.840 -0.041 0.000 0.763 79 L CB 0.128 42.166 42.059 -0.035 0.000 0.908 79 L HN -0.070 8.095 8.230 -0.108 0.000 0.437 80 M N -1.629 117.947 119.600 -0.041 0.000 2.099 80 M HA -0.356 nan 4.480 nan 0.000 0.262 80 M C 1.956 178.241 176.300 -0.024 0.000 1.067 80 M CA 2.083 57.364 55.300 -0.033 0.000 1.124 80 M CB -1.497 31.080 32.600 -0.037 0.000 1.353 80 M HN 0.176 8.434 8.290 -0.053 0.000 0.410 81 K N -0.707 119.677 120.400 -0.026 0.000 2.211 81 K HA -0.340 nan 4.320 nan 0.000 0.204 81 K C 2.736 179.333 176.600 -0.005 0.000 1.047 81 K CA 3.334 59.612 56.287 -0.016 0.000 0.935 81 K CB -0.297 32.192 32.500 -0.018 0.000 0.728 81 K HN -0.629 7.599 8.250 -0.037 0.000 0.452 82 E N -1.279 118.919 120.200 -0.003 0.000 2.250 82 E HA -0.153 nan 4.350 nan 0.000 0.192 82 E C 2.271 178.869 176.600 -0.004 0.000 0.986 82 E CA 2.230 58.633 56.400 0.005 0.000 0.849 82 E CB 0.011 29.720 29.700 0.015 0.000 0.797 82 E HN -0.693 7.535 8.360 -0.010 0.126 0.482 83 M N 0.835 120.430 119.600 -0.008 0.000 2.062 83 M HA -0.375 nan 4.480 nan 0.000 0.259 83 M C 1.689 177.983 176.300 -0.010 0.000 1.076 83 M CA 4.590 59.884 55.300 -0.010 0.000 1.122 83 M CB 0.062 32.654 32.600 -0.013 0.000 1.312 83 M HN 0.040 8.234 8.290 -0.011 0.089 0.412 84 K N -1.375 119.018 120.400 -0.011 0.000 2.103 84 K HA -0.402 nan 4.320 nan 0.000 0.207 84 K C 1.983 178.579 176.600 -0.008 0.000 1.048 84 K CA 3.777 60.059 56.287 -0.010 0.000 0.930 84 K CB -0.394 32.100 32.500 -0.010 0.000 0.716 84 K HN -0.194 8.049 8.250 -0.012 0.000 0.444 85 E N -0.673 119.523 120.200 -0.006 0.000 2.033 85 E HA -0.321 nan 4.350 nan 0.000 0.199 85 E C 2.667 179.262 176.600 -0.009 0.000 1.011 85 E CA 3.090 59.487 56.400 -0.005 0.000 0.815 85 E CB -0.144 29.555 29.700 -0.001 0.000 0.755 85 E HN -0.726 7.628 8.360 -0.006 0.003 0.451 86 L N -2.129 119.087 121.223 -0.011 0.000 2.109 86 L HA -0.287 nan 4.340 nan 0.000 0.207 86 L C 2.301 179.164 176.870 -0.013 0.000 1.086 86 L CA 2.993 57.824 54.840 -0.015 0.000 0.760 86 L CB 0.100 42.148 42.059 -0.017 0.000 0.910 86 L HN -0.422 7.802 8.230 -0.010 0.000 0.437 87 E N -0.563 119.630 120.200 -0.011 0.000 2.204 87 E HA -0.321 nan 4.350 nan 0.000 0.194 87 E C 3.027 179.622 176.600 -0.009 0.000 0.989 87 E CA 2.966 59.360 56.400 -0.010 0.000 0.824 87 E CB -0.458 29.236 29.700 -0.010 0.000 0.756 87 E HN 0.688 8.919 8.360 -0.010 0.123 0.477 88 D N 0.301 120.696 120.400 -0.009 0.000 2.117 88 D HA -0.142 nan 4.640 nan 0.000 0.198 88 D C 1.427 177.722 176.300 -0.008 0.000 0.982 88 D CA 2.530 56.525 54.000 -0.007 0.000 0.828 88 D CB -0.209 40.587 40.800 -0.006 0.000 0.967 88 D HN 0.469 8.711 8.370 -0.009 0.122 0.464 89 R N -3.227 117.267 120.500 -0.009 0.000 2.328 89 R HA -0.009 nan 4.340 nan 0.000 0.207 89 R C 0.781 177.075 176.300 -0.010 0.000 1.056 89 R CA -0.457 55.637 56.100 -0.010 0.000 1.016 89 R CB -0.608 29.684 30.300 -0.013 0.000 0.872 89 R HN -0.599 7.584 8.270 -0.010 0.081 0.471 90 G N -1.819 106.975 108.800 -0.010 0.000 2.144 90 G HA2 -0.364 nan 3.960 nan 0.000 0.218 90 G HA3 -0.364 nan 3.960 nan 0.000 0.218 90 G C -0.458 174.435 174.900 -0.012 0.000 0.988 90 G CA -0.073 45.021 45.100 -0.010 0.000 0.659 90 G HN -0.617 7.471 8.290 -0.010 0.196 0.522 91 I N 1.396 121.958 120.570 -0.013 0.000 2.304 91 I HA 0.347 nan 4.170 nan 0.000 0.291 91 I C -1.298 174.811 176.117 -0.013 0.000 1.018 91 I CA -4.105 57.187 61.300 -0.014 0.000 1.260 91 I CB -0.020 37.970 38.000 -0.017 0.000 1.390 91 I HN -0.423 7.779 8.210 -0.013 0.000 0.475 92 P HA 0.137 nan 4.420 nan 0.000 0.238 92 P C 0.799 178.093 177.300 -0.009 0.000 1.729 92 P CA -0.195 62.899 63.100 -0.010 0.000 1.055 92 P CB -1.791 29.902 31.700 -0.011 0.000 1.980 93 V N 3.603 123.512 119.914 -0.008 0.000 2.250 93 V HA -0.528 nan 4.120 nan 0.000 0.250 93 V C 1.996 178.089 176.094 -0.002 0.000 1.060 93 V CA 4.279 66.576 62.300 -0.006 0.000 1.030 93 V CB -0.835 30.984 31.823 -0.007 0.000 0.643 93 V HN 0.806 8.922 8.190 -0.010 0.068 0.445 94 R N -1.850 118.648 120.500 -0.003 0.000 2.316 94 R HA -0.257 nan 4.340 nan 0.000 0.232 94 R C 1.138 177.440 176.300 0.003 0.000 1.137 94 R CA 2.122 58.221 56.100 -0.001 0.000 1.012 94 R CB -1.313 28.985 30.300 -0.004 0.000 0.859 94 R HN 0.305 8.572 8.270 -0.005 0.000 0.474 95 E N -4.711 115.490 120.200 0.002 0.000 2.562 95 E HA 0.198 nan 4.350 nan 0.000 0.214 95 E C 0.293 176.896 176.600 0.004 0.000 0.979 95 E CA -0.120 56.283 56.400 0.004 0.000 1.002 95 E CB 0.774 30.474 29.700 -0.000 0.000 1.048 95 E HN -0.210 7.987 8.360 -0.002 0.163 0.488 96 R N -2.464 118.038 120.500 0.004 0.000 2.476 96 R HA 0.329 nan 4.340 nan 0.000 0.276 96 R C -1.479 174.833 176.300 0.020 0.000 0.941 96 R CA 0.008 56.109 56.100 0.002 0.000 1.088 96 R CB 2.211 32.504 30.300 -0.012 0.000 1.216 96 R HN -0.527 7.745 8.270 0.003 0.000 0.533 97 L N -0.124 121.114 121.223 0.025 0.000 2.322 97 L HA 0.577 nan 4.340 nan 0.000 0.281 97 L C -1.650 175.246 176.870 0.043 0.000 1.014 97 L CA -0.592 54.269 54.840 0.035 0.000 0.815 97 L CB 2.189 44.263 42.059 0.024 0.000 1.247 97 L HN -0.756 7.486 8.230 0.019 0.000 0.421 98 L N 6.427 127.685 121.223 0.059 0.000 2.385 98 L HA 0.512 nan 4.340 nan 0.000 0.273 98 L C -1.685 175.224 176.870 0.066 0.000 0.990 98 L CA -1.114 53.764 54.840 0.064 0.000 0.821 98 L CB 3.292 45.399 42.059 0.079 0.000 1.279 98 L HN 0.610 8.880 8.230 0.066 0.000 0.412 99 L N 1.596 122.854 121.223 0.060 0.000 2.325 99 L HA 0.656 nan 4.340 nan 0.000 0.278 99 L C -1.289 175.626 176.870 0.074 0.000 1.023 99 L CA -1.580 53.296 54.840 0.060 0.000 0.811 99 L CB 2.251 44.332 42.059 0.036 0.000 1.249 99 L HN 0.664 8.928 8.230 0.057 0.000 0.431 100 S N 0.465 116.214 115.700 0.083 0.000 2.617 100 S HA 0.092 nan 4.470 nan 0.000 0.269 100 S C 1.099 175.758 174.600 0.097 0.000 1.292 100 S CA -1.151 57.105 58.200 0.093 0.000 1.010 100 S CB 1.462 64.721 63.200 0.099 0.000 0.944 100 S HN -0.082 8.278 8.310 0.083 0.000 0.536 101 E N 4.037 124.307 120.200 0.117 0.000 2.371 101 E HA -0.048 nan 4.350 nan 0.000 0.194 101 E C 1.043 177.713 176.600 0.117 0.000 1.012 101 E CA 2.083 58.567 56.400 0.139 0.000 0.860 101 E CB -0.327 29.494 29.700 0.202 0.000 0.811 101 E HN 0.762 9.192 8.360 0.116 0.000 0.502 102 A N -0.960 121.923 122.820 0.104 0.000 2.208 102 A HA 0.038 nan 4.320 nan 0.000 0.209 102 A C -0.270 177.370 177.584 0.094 0.000 1.161 102 A CA 0.239 52.334 52.037 0.098 0.000 0.782 102 A CB -0.159 18.896 19.000 0.092 0.000 0.816 102 A HN -0.364 7.800 8.150 0.102 0.048 0.477 103 C N 1.870 121.221 119.300 0.086 0.000 2.648 103 C HA -0.018 nan 4.460 nan 0.000 0.406 103 C C -1.791 173.231 174.990 0.055 0.000 1.406 103 C CA -1.004 58.056 59.018 0.071 0.000 1.610 103 C CB -1.971 25.803 27.740 0.058 0.000 2.451 103 C HN -0.547 7.674 8.230 0.086 0.060 0.608 104 P HA 0.033 nan 4.420 nan 0.000 0.269 104 P C -1.712 175.577 177.300 -0.017 0.000 1.209 104 P CA 0.296 63.405 63.100 0.015 0.000 0.776 104 P CB 0.319 32.000 31.700 -0.031 0.000 0.876 105 L N 1.329 122.566 121.223 0.022 0.000 2.325 105 L HA 0.581 nan 4.340 nan 0.000 0.279 105 L C -0.652 176.190 176.870 -0.047 0.000 1.054 105 L CA -0.919 53.933 54.840 0.021 0.000 0.804 105 L CB 1.265 43.395 42.059 0.118 0.000 1.200 105 L HN -0.415 7.857 8.230 0.070 0.000 0.436 106 I N 1.694 122.220 120.570 -0.073 0.000 2.359 106 I HA 0.146 nan 4.170 nan 0.000 0.294 106 I C -1.567 174.549 176.117 -0.002 0.000 0.987 106 I CA -0.305 60.936 61.300 -0.098 0.000 1.225 106 I CB 0.853 38.804 38.000 -0.083 0.000 1.366 106 I HN 0.691 8.756 8.210 -0.052 0.114 0.466 107 L N 2.119 123.366 121.223 0.039 0.000 2.469 107 L HA 0.269 nan 4.340 nan 0.000 0.256 107 L C 0.303 177.000 176.870 -0.289 0.000 1.006 107 L CA -1.427 53.331 54.840 -0.138 0.000 0.832 107 L CB 3.490 45.450 42.059 -0.166 0.000 1.421 107 L HN 0.075 8.468 8.230 0.271 0.000 0.410 108 D N 3.838 124.165 120.400 -0.123 0.000 3.048 108 D HA -0.512 nan 4.640 nan 0.000 0.192 108 D C 1.962 178.224 176.300 -0.064 0.000 1.125 108 D CA 4.846 58.817 54.000 -0.048 0.000 0.878 108 D CB -0.066 40.763 40.800 0.049 0.000 0.924 108 D HN 0.760 9.098 8.370 -0.052 0.000 0.496 109 Y N -6.386 113.847 120.300 -0.111 0.000 2.574 109 Y HA -0.153 nan 4.550 nan 0.000 0.294 109 Y C 1.613 177.356 175.900 -0.262 0.000 1.142 109 Y CA 1.487 59.478 58.100 -0.181 0.000 1.314 109 Y CB -1.230 37.122 38.460 -0.180 0.000 0.991 109 Y HN -0.255 7.985 8.280 -0.035 0.019 0.555 110 H N -1.876 116.976 119.070 -0.363 0.000 2.415 110 H HA -0.071 nan 4.556 nan 0.000 0.297 110 H C 2.345 177.579 175.328 -0.157 0.000 1.048 110 H CA 4.128 60.013 56.048 -0.273 0.000 1.365 110 H CB 0.452 30.027 29.762 -0.312 0.000 1.421 110 H HN 0.565 8.328 8.280 -0.581 0.169 0.533 111 V N 0.574 120.478 119.914 -0.017 0.000 2.379 111 V HA -0.264 nan 4.120 nan 0.000 0.245 111 V C 1.582 177.654 176.094 -0.037 0.000 1.044 111 V CA 3.899 66.187 62.300 -0.019 0.000 1.036 111 V CB -0.910 30.907 31.823 -0.010 0.000 0.664 111 V HN -0.678 7.485 8.190 -0.046 0.000 0.453 112 A N -1.574 121.224 122.820 -0.036 0.000 2.172 112 A HA -0.199 nan 4.320 nan 0.000 0.216 112 A C 1.401 178.936 177.584 -0.081 0.000 1.154 112 A CA 2.887 54.901 52.037 -0.038 0.000 0.701 112 A CB -0.938 18.058 19.000 -0.007 0.000 0.789 112 A HN -0.293 7.839 8.150 -0.030 0.000 0.465 113 L N -2.768 118.394 121.223 -0.102 0.000 2.145 113 L HA -0.149 nan 4.340 nan 0.000 0.201 113 L C 1.732 178.485 176.870 -0.195 0.000 1.075 113 L CA 2.501 57.235 54.840 -0.176 0.000 0.773 113 L CB 0.109 42.084 42.059 -0.140 0.000 0.936 113 L HN -0.649 7.372 8.230 -0.079 0.161 0.451 114 D N 0.215 120.550 120.400 -0.109 0.000 2.106 114 D HA -0.359 nan 4.640 nan 0.000 0.191 114 D C 2.603 178.847 176.300 -0.094 0.000 0.997 114 D CA 3.633 57.582 54.000 -0.084 0.000 0.834 114 D CB -0.425 40.346 40.800 -0.049 0.000 0.956 114 D HN -0.299 8.025 8.370 -0.077 0.000 0.448 115 N N -1.700 116.950 118.700 -0.083 0.000 2.364 115 N HA -0.227 nan 4.740 nan 0.000 0.183 115 N C 2.192 177.647 175.510 -0.091 0.000 1.022 115 N CA 2.709 55.718 53.050 -0.069 0.000 0.883 115 N CB 0.015 38.472 38.487 -0.049 0.000 0.965 115 N HN 0.447 8.673 8.380 -0.072 0.111 0.438 116 A N 1.036 123.756 122.820 -0.166 0.000 1.924 116 A HA 0.013 nan 4.320 nan 0.000 0.211 116 A C 1.598 179.043 177.584 -0.233 0.000 1.198 116 A CA 2.479 54.393 52.037 -0.205 0.000 0.657 116 A CB 0.064 18.871 19.000 -0.322 0.000 0.852 116 A HN -0.373 7.500 8.150 -0.202 0.156 0.454 117 R N -1.223 119.072 120.500 -0.341 0.000 2.117 117 R HA -0.432 nan 4.340 nan 0.000 0.243 117 R C 2.297 178.578 176.300 -0.032 0.000 1.143 117 R CA 3.662 59.656 56.100 -0.177 0.000 0.968 117 R CB -0.096 30.122 30.300 -0.137 0.000 0.863 117 R HN 0.480 8.402 8.270 -0.398 0.109 0.444 118 E N -0.865 119.308 120.200 -0.045 0.000 2.015 118 E HA -0.171 nan 4.350 nan 0.000 0.191 118 E C 1.257 177.858 176.600 0.002 0.000 0.991 118 E CA 2.275 58.668 56.400 -0.013 0.000 0.802 118 E CB -0.370 29.318 29.700 -0.020 0.000 0.759 118 E HN -0.259 8.056 8.360 -0.076 -0.000 0.447 119 K N -1.609 118.788 120.400 -0.005 0.000 2.030 119 K HA -0.375 nan 4.320 nan 0.000 0.222 119 K C 2.494 179.110 176.600 0.027 0.000 1.056 119 K CA 2.840 59.132 56.287 0.008 0.000 0.957 119 K CB -0.068 32.437 32.500 0.007 0.000 0.727 119 K HN -0.575 7.661 8.250 -0.024 0.000 0.452 120 A N -1.899 120.954 122.820 0.055 0.000 1.858 120 A HA -0.142 nan 4.320 nan 0.000 0.216 120 A C 2.007 179.632 177.584 0.068 0.000 1.190 120 A CA 2.310 54.392 52.037 0.076 0.000 0.617 120 A CB -0.259 18.833 19.000 0.154 0.000 0.827 120 A HN -0.517 7.669 8.150 0.061 0.000 0.443 121 R N -1.538 119.011 120.500 0.082 0.000 3.541 121 R HA 0.077 nan 4.340 nan 0.000 0.277 121 R C -1.047 175.277 176.300 0.041 0.000 1.539 121 R CA -0.380 55.761 56.100 0.068 0.000 1.338 121 R CB -0.624 29.730 30.300 0.089 0.000 1.343 121 R HN -0.206 8.117 8.270 0.089 0.000 0.623 122 G N -1.410 107.409 108.800 0.031 0.000 2.731 122 G HA2 0.251 nan 3.960 nan 0.000 0.309 122 G HA3 0.251 nan 3.960 nan 0.000 0.309 122 G C -2.559 172.352 174.900 0.017 0.000 1.273 122 G CA -0.011 45.102 45.100 0.021 0.000 0.798 122 G HN -0.873 7.347 8.290 0.033 0.090 0.509 123 A N -2.776 120.051 122.820 0.013 0.000 2.597 123 A HA 0.155 nan 4.320 nan 0.000 0.292 123 A C -2.072 175.516 177.584 0.007 0.000 1.057 123 A CA -0.062 51.981 52.037 0.010 0.000 0.674 123 A CB 2.076 21.083 19.000 0.011 0.000 1.278 123 A HN -0.053 8.104 8.150 0.012 0.000 0.416 124 K N -0.058 120.345 120.400 0.005 0.000 2.395 124 K HA -0.128 nan 4.320 nan 0.000 0.283 124 K C -0.756 175.846 176.600 0.004 0.000 1.068 124 K CA 0.772 57.061 56.287 0.003 0.000 1.039 124 K CB -0.568 31.933 32.500 0.002 0.000 0.924 124 K HN 0.206 8.459 8.250 0.005 0.000 0.468 125 A N 6.500 129.322 122.820 0.004 0.000 1.819 125 A HA -0.035 nan 4.320 nan 0.000 0.235 125 A C -1.437 176.150 177.584 0.006 0.000 2.731 125 A CA -0.237 51.803 52.037 0.005 0.000 2.132 125 A CB -0.469 18.534 19.000 0.006 0.000 0.337 125 A HN 0.317 8.469 8.150 0.004 0.000 0.964 126 I N -1.687 118.885 120.570 0.005 0.000 8.033 126 I HA -0.314 nan 4.170 nan 0.000 0.126 126 I C -0.251 175.868 176.117 0.003 0.000 1.834 126 I CA -0.049 61.253 61.300 0.004 0.000 2.071 126 I CB -0.021 37.984 38.000 0.007 0.000 3.728 126 I HN -0.036 8.176 8.210 0.003 0.000 0.180 127 G N 6.720 115.521 108.800 0.001 0.000 2.977 127 G HA2 0.024 nan 3.960 nan 0.000 0.306 127 G HA3 0.024 nan 3.960 nan 0.000 0.306 127 G C -0.416 174.481 174.900 -0.005 0.000 0.885 127 G CA -0.343 44.756 45.100 -0.001 0.000 1.649 127 G HN 0.032 8.322 8.290 -0.001 0.000 0.514 128 T N 6.196 120.748 114.554 -0.004 0.000 4.058 128 T HA 0.228 nan 4.350 nan 0.000 0.252 128 T C 0.420 175.111 174.700 -0.015 0.000 1.264 128 T CA -0.015 62.080 62.100 -0.009 0.000 1.094 128 T CB -1.424 67.442 68.868 -0.004 0.000 1.316 128 T HN 0.024 8.264 8.240 -0.000 0.000 0.872 129 T N 0.716 115.258 114.554 -0.019 0.000 3.056 129 T HA 0.271 nan 4.350 nan 0.000 0.243 129 T C 0.826 175.505 174.700 -0.034 0.000 0.995 129 T CA 0.330 62.416 62.100 -0.024 0.000 1.091 129 T CB 0.858 69.715 68.868 -0.019 0.000 0.990 129 T HN -0.381 7.792 8.240 -0.018 0.056 0.464 130 G N 4.068 112.849 108.800 -0.031 0.000 2.317 130 G HA2 -0.283 nan 3.960 nan 0.000 0.286 130 G HA3 -0.283 nan 3.960 nan 0.000 0.286 130 G C -0.519 174.366 174.900 -0.025 0.000 0.839 130 G CA 1.169 46.252 45.100 -0.029 0.000 1.389 130 G HN 0.112 8.385 8.290 -0.027 0.000 0.344 131 R N 2.548 123.031 120.500 -0.028 0.000 3.001 131 R HA 0.101 nan 4.340 nan 0.000 0.160 131 R C 0.114 176.419 176.300 0.009 0.000 0.830 131 R CA -0.386 55.704 56.100 -0.017 0.000 1.363 131 R CB 1.439 31.656 30.300 -0.139 0.000 1.669 131 R HN 0.066 8.657 8.270 -0.035 -0.342 0.553 132 G N -0.956 107.826 108.800 -0.031 0.000 2.176 132 G HA2 -0.294 nan 3.960 nan 0.000 0.232 132 G HA3 -0.294 nan 3.960 nan 0.000 0.232 132 G C -0.201 174.623 174.900 -0.127 0.000 0.986 132 G CA 0.522 45.603 45.100 -0.031 0.000 0.643 132 G HN 0.313 9.086 8.290 -0.043 -0.508 0.522 133 I N 1.596 122.080 120.570 -0.143 0.000 2.142 133 I HA -0.456 nan 4.170 nan 0.000 0.240 133 I C 1.096 177.125 176.117 -0.146 0.000 1.078 133 I CA 3.936 65.107 61.300 -0.216 0.000 1.343 133 I CB -0.426 37.466 38.000 -0.179 0.000 1.046 133 I HN -0.025 8.052 8.210 -0.124 0.058 0.405 134 G N -0.420 108.368 108.800 -0.020 0.000 2.514 134 G HA2 -0.229 nan 3.960 nan 0.000 0.217 134 G HA3 -0.229 nan 3.960 nan 0.000 0.217 134 G C -1.369 173.565 174.900 0.056 0.000 1.198 134 G CA 2.779 47.922 45.100 0.071 0.000 0.780 134 G HN 0.442 8.717 8.290 -0.026 0.000 0.565 135 P HA -0.338 nan 4.420 nan 0.000 0.214 135 P C 1.090 178.393 177.300 0.004 0.000 1.169 135 P CA 2.815 65.960 63.100 0.074 0.000 0.908 135 P CB -0.333 31.436 31.700 0.115 0.000 0.791 136 A N -3.234 119.370 122.820 -0.359 0.000 1.873 136 A HA -0.311 nan 4.320 nan 0.000 0.218 136 A C 2.259 179.746 177.584 -0.162 0.000 1.193 136 A CA 3.012 54.725 52.037 -0.539 0.000 0.629 136 A CB -0.720 17.822 19.000 -0.763 0.000 0.826 136 A HN -0.478 7.413 8.150 -0.432 0.000 0.447 137 Y N -2.698 117.561 120.300 -0.069 0.000 2.207 137 Y HA -0.442 nan 4.550 nan 0.000 0.287 137 Y C 2.479 178.393 175.900 0.024 0.000 1.156 137 Y CA 2.285 60.376 58.100 -0.014 0.000 1.182 137 Y CB -0.813 37.642 38.460 -0.008 0.000 0.979 137 Y HN -0.516 7.614 8.280 -0.249 0.000 0.521 138 E N -2.656 117.658 120.200 0.190 0.000 2.204 138 E HA -0.343 nan 4.350 nan 0.000 0.195 138 E C 1.980 178.677 176.600 0.162 0.000 0.990 138 E CA 2.562 59.063 56.400 0.168 0.000 0.821 138 E CB -0.538 29.272 29.700 0.183 0.000 0.750 138 E HN -0.543 7.835 8.360 0.167 0.082 0.477 139 D N -1.059 119.445 120.400 0.174 0.000 2.240 139 D HA 0.069 nan 4.640 nan 0.000 0.206 139 D C 1.056 177.427 176.300 0.118 0.000 0.963 139 D CA 1.871 55.976 54.000 0.175 0.000 0.863 139 D CB 0.422 41.392 40.800 0.282 0.000 0.973 139 D HN -0.461 7.840 8.370 0.156 0.163 0.501 140 K N 1.014 121.485 120.400 0.118 0.000 1.969 140 K HA -0.298 nan 4.320 nan 0.000 0.216 140 K C 2.303 178.955 176.600 0.087 0.000 1.048 140 K CA 3.418 59.769 56.287 0.108 0.000 0.948 140 K CB 0.263 32.849 32.500 0.143 0.000 0.726 140 K HN -0.287 8.036 8.250 0.122 0.000 0.442 141 V N -5.359 114.611 119.914 0.093 0.000 2.527 141 V HA -0.251 nan 4.120 nan 0.000 0.255 141 V C 0.858 176.977 176.094 0.042 0.000 1.081 141 V CA 2.252 64.588 62.300 0.061 0.000 1.092 141 V CB -0.949 30.907 31.823 0.056 0.000 0.673 141 V HN -0.403 7.860 8.190 0.122 0.000 0.470 142 A N -1.575 121.271 122.820 0.042 0.000 2.640 142 A HA 0.132 nan 4.320 nan 0.000 0.282 142 A C -0.520 177.062 177.584 -0.003 0.000 1.357 142 A CA -1.106 50.938 52.037 0.011 0.000 0.946 142 A CB 0.170 19.168 19.000 -0.003 0.000 1.065 142 A HN -0.520 7.543 8.150 0.061 0.124 0.541 143 R N -3.020 117.490 120.500 0.017 0.000 2.828 143 R HA -0.409 nan 4.340 nan 0.000 0.233 143 R C -0.086 176.210 176.300 -0.007 0.000 0.821 143 R CA 1.480 57.588 56.100 0.014 0.000 0.563 143 R CB -2.088 28.217 30.300 0.007 0.000 1.117 143 R HN 0.057 8.181 8.270 0.031 0.165 0.508 144 R N -1.986 118.515 120.500 0.002 0.000 2.551 144 R HA 0.199 nan 4.340 nan 0.000 0.316 144 R C -0.997 175.324 176.300 0.036 0.000 0.934 144 R CA -0.345 55.738 56.100 -0.028 0.000 1.117 144 R CB 1.705 31.941 30.300 -0.107 0.000 1.626 144 R HN -0.181 8.108 8.270 0.029 -0.002 0.513 145 G N -1.067 107.785 108.800 0.087 0.000 2.552 145 G HA2 0.338 nan 3.960 nan 0.000 0.318 145 G HA3 0.338 nan 3.960 nan 0.000 0.318 145 G C -1.956 173.021 174.900 0.128 0.000 1.240 145 G CA -1.088 44.101 45.100 0.148 0.000 1.002 145 G HN -0.763 7.573 8.290 0.077 0.000 0.493 146 L N -1.869 119.453 121.223 0.166 0.000 2.352 146 L HA 0.643 nan 4.340 nan 0.000 0.269 146 L C -0.326 176.650 176.870 0.176 0.000 1.034 146 L CA -1.021 53.924 54.840 0.175 0.000 0.806 146 L CB 1.766 43.950 42.059 0.209 0.000 1.244 146 L HN 0.185 8.544 8.230 0.216 0.000 0.447 147 R N -1.585 119.025 120.500 0.183 0.000 2.950 147 R HA 0.581 nan 4.340 nan 0.000 0.253 147 R C 1.045 177.423 176.300 0.129 0.000 1.168 147 R CA -1.333 54.849 56.100 0.138 0.000 1.014 147 R CB 2.472 32.846 30.300 0.122 0.000 1.228 147 R HN -0.186 8.449 8.270 0.213 -0.237 0.487 148 V N -1.586 118.373 119.914 0.075 0.000 2.427 148 V HA -0.200 nan 4.120 nan 0.000 0.248 148 V C 1.980 178.065 176.094 -0.014 0.000 1.051 148 V CA 3.493 65.795 62.300 0.002 0.000 1.048 148 V CB -0.737 31.080 31.823 -0.009 0.000 0.666 148 V HN 0.074 8.310 8.190 0.078 0.000 0.456 149 G N -1.523 107.344 108.800 0.111 0.000 2.450 149 G HA2 -0.343 nan 3.960 nan 0.000 0.220 149 G HA3 -0.343 nan 3.960 nan 0.000 0.220 149 G C 0.811 175.866 174.900 0.259 0.000 1.130 149 G CA 2.307 47.565 45.100 0.263 0.000 0.760 149 G HN 0.335 8.698 8.290 0.122 0.000 0.557 150 D N 2.320 122.828 120.400 0.180 0.000 2.182 150 D HA -0.205 nan 4.640 nan 0.000 0.201 150 D C 2.034 178.416 176.300 0.138 0.000 0.986 150 D CA 3.114 57.242 54.000 0.213 0.000 0.847 150 D CB -0.313 40.669 40.800 0.304 0.000 0.942 150 D HN -0.671 7.669 8.370 0.164 0.128 0.467 151 L N -1.891 119.292 121.223 -0.065 0.000 2.261 151 L HA -0.341 nan 4.340 nan 0.000 0.216 151 L C 1.399 178.164 176.870 -0.174 0.000 1.114 151 L CA 1.996 56.661 54.840 -0.290 0.000 0.777 151 L CB -0.232 41.565 42.059 -0.438 0.000 0.910 151 L HN -0.685 7.376 8.230 -0.068 0.128 0.440 152 F N -2.896 117.043 119.950 -0.019 0.000 2.805 152 F HA -0.178 nan 4.527 nan 0.000 0.301 152 F C 0.397 176.204 175.800 0.013 0.000 1.196 152 F CA 1.211 59.208 58.000 -0.004 0.000 1.439 152 F CB 0.050 39.056 39.000 0.010 0.000 1.117 152 F HN -0.749 7.466 8.300 0.115 0.154 0.581 153 D N -1.295 119.207 120.400 0.171 0.000 2.668 153 D HA 0.188 nan 4.640 nan 0.000 0.247 153 D C -0.236 176.137 176.300 0.122 0.000 1.268 153 D CA -0.831 53.251 54.000 0.137 0.000 0.842 153 D CB -0.456 40.426 40.800 0.138 0.000 1.399 153 D HN -0.429 7.941 8.370 0.132 0.080 0.530 154 K N 3.108 123.556 120.400 0.080 0.000 2.097 154 K HA -0.459 nan 4.320 nan 0.000 0.214 154 K C 1.480 178.158 176.600 0.130 0.000 1.052 154 K CA 3.427 59.757 56.287 0.072 0.000 0.932 154 K CB -0.111 32.411 32.500 0.036 0.000 0.716 154 K HN 0.508 8.797 8.250 0.066 0.000 0.455 155 E N -2.081 118.185 120.200 0.110 0.000 2.150 155 E HA -0.206 nan 4.350 nan 0.000 0.193 155 E C 2.257 178.935 176.600 0.130 0.000 0.985 155 E CA 2.625 59.090 56.400 0.109 0.000 0.814 155 E CB -0.085 29.663 29.700 0.079 0.000 0.752 155 E HN 0.308 8.723 8.360 0.092 0.000 0.466 156 T N 1.739 116.379 114.554 0.143 0.000 3.014 156 T HA -0.060 nan 4.350 nan 0.000 0.263 156 T C 1.469 176.287 174.700 0.196 0.000 1.078 156 T CA 3.718 65.904 62.100 0.143 0.000 1.135 156 T CB -0.458 68.484 68.868 0.124 0.000 0.895 156 T HN -0.238 7.957 8.240 0.142 0.130 0.480 157 F N 2.764 122.756 119.950 0.070 0.000 2.113 157 F HA -0.426 nan 4.527 nan 0.000 0.297 157 F C 0.107 175.969 175.800 0.102 0.000 1.103 157 F CA 3.477 61.522 58.000 0.076 0.000 1.248 157 F CB 0.124 39.157 39.000 0.056 0.000 0.999 157 F HN -0.426 8.078 8.300 0.340 0.000 0.475 158 A N -2.438 120.566 122.820 0.307 0.000 1.903 158 A HA -0.463 nan 4.320 nan 0.000 0.219 158 A C 2.210 179.905 177.584 0.184 0.000 1.191 158 A CA 3.466 55.654 52.037 0.252 0.000 0.638 158 A CB -1.093 18.045 19.000 0.230 0.000 0.823 158 A HN -0.320 8.044 8.150 0.357 0.000 0.451 159 E N -2.718 117.545 120.200 0.105 0.000 2.076 159 E HA -0.260 nan 4.350 nan 0.000 0.190 159 E C 2.294 178.892 176.600 -0.005 0.000 0.979 159 E CA 2.445 58.869 56.400 0.040 0.000 0.807 159 E CB -0.418 29.298 29.700 0.027 0.000 0.761 159 E HN -0.583 7.848 8.360 0.118 0.000 0.454 160 K N -0.121 120.271 120.400 -0.014 0.000 2.147 160 K HA -0.283 nan 4.320 nan 0.000 0.205 160 K C 2.578 179.117 176.600 -0.101 0.000 1.049 160 K CA 2.861 59.118 56.287 -0.050 0.000 0.936 160 K CB -0.054 32.426 32.500 -0.032 0.000 0.722 160 K HN -0.435 7.825 8.250 0.016 0.000 0.446 161 L N -0.268 120.864 121.223 -0.153 0.000 2.027 161 L HA -0.300 nan 4.340 nan 0.000 0.206 161 L C 0.826 177.694 176.870 -0.003 0.000 1.074 161 L CA 3.321 58.066 54.840 -0.158 0.000 0.745 161 L CB -0.241 41.641 42.059 -0.295 0.000 0.898 161 L HN 0.433 8.549 8.230 -0.166 0.014 0.433 162 K N -1.127 119.320 120.400 0.077 0.000 2.152 162 K HA -0.472 nan 4.320 nan 0.000 0.206 162 K C 2.186 178.695 176.600 -0.153 0.000 1.048 162 K CA 3.703 59.878 56.287 -0.187 0.000 0.933 162 K CB -0.318 31.901 32.500 -0.468 0.000 0.721 162 K HN -0.655 7.684 8.250 0.149 0.000 0.447 163 E N -0.433 119.699 120.200 -0.113 0.000 2.008 163 E HA -0.298 nan 4.350 nan 0.000 0.191 163 E C 1.952 178.487 176.600 -0.109 0.000 0.986 163 E CA 3.088 59.426 56.400 -0.102 0.000 0.807 163 E CB 0.087 29.735 29.700 -0.087 0.000 0.766 163 E HN -0.686 7.609 8.360 -0.093 0.010 0.450 164 V N 1.077 120.915 119.914 -0.127 0.000 2.469 164 V HA -0.387 nan 4.120 nan 0.000 0.251 164 V C 1.892 177.856 176.094 -0.218 0.000 1.064 164 V CA 3.787 65.993 62.300 -0.158 0.000 1.066 164 V CB -0.413 31.367 31.823 -0.071 0.000 0.667 164 V HN -0.331 7.793 8.190 -0.111 0.000 0.461 165 M N -1.862 117.574 119.600 -0.273 0.000 2.200 165 M HA -0.394 nan 4.480 nan 0.000 0.265 165 M C 1.558 177.798 176.300 -0.099 0.000 1.066 165 M CA 4.131 59.252 55.300 -0.299 0.000 1.127 165 M CB -0.324 32.129 32.600 -0.244 0.000 1.379 165 M HN 0.358 8.507 8.290 -0.228 0.004 0.420 166 E N 0.969 121.124 120.200 -0.075 0.000 2.033 166 E HA -0.466 nan 4.350 nan 0.000 0.199 166 E C 1.906 178.528 176.600 0.037 0.000 1.011 166 E CA 3.430 59.815 56.400 -0.025 0.000 0.815 166 E CB -0.157 29.516 29.700 -0.044 0.000 0.755 166 E HN 0.127 8.233 8.360 -0.103 0.192 0.451 167 Y N -0.209 120.012 120.300 -0.132 0.000 2.151 167 Y HA -0.501 nan 4.550 nan 0.000 0.284 167 Y C 2.453 178.326 175.900 -0.045 0.000 1.166 167 Y CA 3.686 61.699 58.100 -0.144 0.000 1.163 167 Y CB 0.009 38.299 38.460 -0.285 0.000 0.974 167 Y HN -0.521 7.803 8.280 0.073 0.000 0.511 168 H N -2.745 116.369 119.070 0.074 0.000 2.395 168 H HA -0.221 nan 4.556 nan 0.000 0.299 168 H C 2.691 178.029 175.328 0.018 0.000 1.070 168 H CA 2.911 58.972 56.048 0.021 0.000 1.356 168 H CB -0.218 29.585 29.762 0.068 0.000 1.401 168 H HN -0.626 7.571 8.280 -0.008 0.079 0.524 169 N N -0.209 118.567 118.700 0.127 0.000 2.309 169 N HA -0.280 nan 4.740 nan 0.000 0.182 169 N C 1.987 177.542 175.510 0.075 0.000 1.018 169 N CA 3.234 56.338 53.050 0.090 0.000 0.876 169 N CB -0.392 38.132 38.487 0.061 0.000 0.972 169 N HN -0.106 8.330 8.380 0.093 0.000 0.434 170 F N 1.573 121.499 119.950 -0.041 0.000 2.171 170 F HA -0.386 nan 4.527 nan 0.000 0.300 170 F C 1.325 177.105 175.800 -0.033 0.000 1.090 170 F CA 4.035 62.000 58.000 -0.058 0.000 1.293 170 F CB 0.284 39.214 39.000 -0.117 0.000 1.013 170 F HN -0.461 7.941 8.300 0.185 0.008 0.486 171 Q N -0.660 119.189 119.800 0.081 0.000 2.020 171 Q HA -0.334 nan 4.340 nan 0.000 0.198 171 Q C 2.289 178.417 176.000 0.213 0.000 0.974 171 Q CA 3.079 58.948 55.803 0.110 0.000 0.829 171 Q CB 0.060 28.912 28.738 0.190 0.000 0.894 171 Q HN -0.740 7.520 8.270 0.121 0.084 0.433 172 L N -1.126 120.229 121.223 0.219 0.000 1.978 172 L HA -0.450 nan 4.340 nan 0.000 0.218 172 L C 2.205 179.143 176.870 0.114 0.000 1.075 172 L CA 3.380 58.337 54.840 0.194 0.000 0.767 172 L CB -0.255 41.868 42.059 0.106 0.000 0.890 172 L HN 0.207 8.549 8.230 0.186 0.000 0.434 173 V N -6.368 113.548 119.914 0.004 0.000 2.599 173 V HA -0.132 nan 4.120 nan 0.000 0.245 173 V C 1.207 177.210 176.094 -0.151 0.000 1.046 173 V CA 3.371 65.637 62.300 -0.056 0.000 1.065 173 V CB -0.417 31.373 31.823 -0.055 0.000 0.703 173 V HN 0.260 8.337 8.190 -0.010 0.107 0.464 174 N N -1.272 117.230 118.700 -0.331 0.000 2.402 174 N HA -0.044 nan 4.740 nan 0.000 0.174 174 N C 0.584 175.918 175.510 -0.292 0.000 1.027 174 N CA 2.391 55.182 53.050 -0.431 0.000 0.891 174 N CB 0.946 38.900 38.487 -0.889 0.000 1.016 174 N HN -0.220 7.801 8.380 -0.416 0.110 0.439 175 Y N 0.111 120.179 120.300 -0.388 0.000 2.266 175 Y HA -0.142 nan 4.550 nan 0.000 0.294 175 Y C 1.053 176.750 175.900 -0.339 0.000 1.127 175 Y CA 3.066 60.943 58.100 -0.372 0.000 1.140 175 Y CB 1.872 40.042 38.460 -0.484 0.000 1.071 175 Y HN -0.626 7.543 8.280 -0.184 0.000 0.525 176 Y N -4.096 116.236 120.300 0.054 0.000 2.561 176 Y HA -0.209 nan 4.550 nan 0.000 0.291 176 Y C -0.271 175.585 175.900 -0.074 0.000 1.141 176 Y CA 1.670 59.761 58.100 -0.015 0.000 1.303 176 Y CB 0.122 38.637 38.460 0.091 0.000 1.015 176 Y HN -0.154 8.219 8.280 0.154 0.000 0.547 177 K N -5.946 114.465 120.400 0.019 0.000 3.209 177 K HA -0.344 nan 4.320 nan 0.000 0.289 177 K C -1.009 175.604 176.600 0.021 0.000 1.191 177 K CA 0.506 56.784 56.287 -0.015 0.000 0.851 177 K CB -2.023 30.450 32.500 -0.046 0.000 1.242 177 K HN -0.231 7.971 8.250 -0.016 0.039 0.480 178 A N -0.041 122.817 122.820 0.063 0.000 2.336 178 A HA 0.092 nan 4.320 nan 0.000 0.291 178 A C -1.276 176.324 177.584 0.027 0.000 1.266 178 A CA -0.002 52.061 52.037 0.044 0.000 0.891 178 A CB 1.203 20.235 19.000 0.054 0.000 1.366 178 A HN -0.065 8.029 8.150 0.107 0.120 0.507 179 E N -0.364 119.848 120.200 0.021 0.000 2.561 179 E HA 0.067 nan 4.350 nan 0.000 0.254 179 E C -1.485 175.132 176.600 0.029 0.000 1.213 179 E CA -1.186 55.226 56.400 0.019 0.000 0.995 179 E CB 1.521 31.230 29.700 0.015 0.000 1.233 179 E HN 0.138 8.510 8.360 0.018 0.000 0.556 180 A N -1.586 121.252 122.820 0.030 0.000 2.295 180 A HA 0.291 nan 4.320 nan 0.000 0.318 180 A C -0.518 177.096 177.584 0.050 0.000 1.134 180 A CA -0.739 51.323 52.037 0.042 0.000 0.827 180 A CB 1.669 20.691 19.000 0.036 0.000 1.136 180 A HN 0.058 8.222 8.150 0.024 0.000 0.493 181 V N 1.049 121.003 119.914 0.066 0.000 2.509 181 V HA -0.027 nan 4.120 nan 0.000 0.284 181 V C -0.486 175.655 176.094 0.079 0.000 1.047 181 V CA -0.203 62.143 62.300 0.077 0.000 0.952 181 V CB 0.610 32.505 31.823 0.119 0.000 0.988 181 V HN 0.455 9.071 8.190 0.070 -0.384 0.469 182 D N 5.573 126.017 120.400 0.073 0.000 2.348 182 D HA -0.026 nan 4.640 nan 0.000 0.253 182 D C 0.026 176.387 176.300 0.103 0.000 1.161 182 D CA 0.200 54.251 54.000 0.085 0.000 0.876 182 D CB 2.369 43.207 40.800 0.062 0.000 1.160 182 D HN 0.106 8.513 8.370 0.061 0.000 0.459 183 Y N 7.947 128.255 120.300 0.012 0.000 2.133 183 Y HA -0.413 nan 4.550 nan 0.000 0.287 183 Y C 1.381 177.299 175.900 0.029 0.000 1.134 183 Y CA 4.094 62.198 58.100 0.006 0.000 1.133 183 Y CB 0.401 38.851 38.460 -0.017 0.000 0.987 183 Y HN 0.481 8.904 8.280 0.238 0.000 0.502 184 Q N -0.918 118.888 119.800 0.009 0.000 2.181 184 Q HA -0.385 nan 4.340 nan 0.000 0.205 184 Q C 2.317 178.250 176.000 -0.113 0.000 0.980 184 Q CA 2.685 58.432 55.803 -0.092 0.000 0.862 184 Q CB -0.969 27.814 28.738 0.075 0.000 0.905 184 Q HN 0.211 8.680 8.270 0.239 -0.056 0.429 185 K N 0.033 120.402 120.400 -0.052 0.000 1.984 185 K HA -0.287 nan 4.320 nan 0.000 0.209 185 K C 1.839 178.412 176.600 -0.046 0.000 1.046 185 K CA 3.649 59.918 56.287 -0.029 0.000 0.934 185 K CB -0.065 32.437 32.500 0.004 0.000 0.717 185 K HN -0.445 8.044 8.250 -0.010 -0.245 0.438 186 V N 0.202 120.087 119.914 -0.049 0.000 2.287 186 V HA -0.370 nan 4.120 nan 0.000 0.248 186 V C 2.350 178.417 176.094 -0.045 0.000 1.053 186 V CA 3.983 66.276 62.300 -0.011 0.000 1.027 186 V CB -0.890 30.967 31.823 0.057 0.000 0.646 186 V HN -0.649 7.516 8.190 -0.042 0.000 0.447 187 L N -0.649 120.435 121.223 -0.232 0.000 2.012 187 L HA -0.463 nan 4.340 nan 0.000 0.210 187 L C 1.360 178.205 176.870 -0.041 0.000 1.073 187 L CA 3.921 58.665 54.840 -0.160 0.000 0.748 187 L CB -0.465 41.336 42.059 -0.430 0.000 0.891 187 L HN 0.579 8.439 8.230 -0.433 0.110 0.431 188 D N -0.972 119.386 120.400 -0.070 0.000 2.097 188 D HA -0.335 nan 4.640 nan 0.000 0.195 188 D C 2.511 178.797 176.300 -0.022 0.000 0.989 188 D CA 3.703 57.682 54.000 -0.034 0.000 0.827 188 D CB -0.650 40.133 40.800 -0.030 0.000 0.966 188 D HN 0.027 8.219 8.370 -0.113 0.111 0.456 189 D N -0.722 119.668 120.400 -0.016 0.000 2.084 189 D HA -0.175 nan 4.640 nan 0.000 0.194 189 D C 2.958 179.247 176.300 -0.018 0.000 0.990 189 D CA 2.947 56.940 54.000 -0.013 0.000 0.826 189 D CB -0.059 40.738 40.800 -0.005 0.000 0.971 189 D HN 0.322 8.681 8.370 -0.019 0.000 0.453 190 T N 2.879 117.435 114.554 0.005 0.000 2.684 190 T HA -0.286 nan 4.350 nan 0.000 0.267 190 T C 2.480 177.115 174.700 -0.109 0.000 1.036 190 T CA 4.005 66.093 62.100 -0.021 0.000 1.148 190 T CB -0.192 68.733 68.868 0.094 0.000 0.863 190 T HN -0.401 7.859 8.240 0.033 0.000 0.436 191 M N -0.489 119.055 119.600 -0.092 0.000 2.267 191 M HA -0.222 nan 4.480 nan 0.000 0.263 191 M C 2.178 178.423 176.300 -0.092 0.000 1.063 191 M CA 1.943 57.174 55.300 -0.116 0.000 1.090 191 M CB -1.546 31.016 32.600 -0.062 0.000 1.392 191 M HN 0.039 8.307 8.290 -0.037 0.000 0.422 192 A N -1.829 120.952 122.820 -0.066 0.000 2.206 192 A HA -0.054 nan 4.320 nan 0.000 0.211 192 A C 0.765 178.312 177.584 -0.061 0.000 1.158 192 A CA 1.963 53.968 52.037 -0.053 0.000 0.761 192 A CB -0.328 18.650 19.000 -0.037 0.000 0.801 192 A HN -0.242 7.758 8.150 -0.054 0.117 0.473 193 V N -8.935 110.931 119.914 -0.080 0.000 3.477 193 V HA 0.398 nan 4.120 nan 0.000 0.297 193 V C 0.717 176.740 176.094 -0.117 0.000 1.433 193 V CA -1.239 61.011 62.300 -0.084 0.000 1.052 193 V CB -0.925 30.853 31.823 -0.075 0.000 0.895 193 V HN -0.289 7.670 8.190 -0.092 0.176 0.438 194 A N 2.518 125.249 122.820 -0.149 0.000 1.834 194 A HA -0.373 nan 4.320 nan 0.000 0.216 194 A C 1.098 178.574 177.584 -0.180 0.000 1.203 194 A CA 3.835 55.750 52.037 -0.204 0.000 0.621 194 A CB -0.425 18.432 19.000 -0.238 0.000 0.841 194 A HN -0.525 7.429 8.150 -0.139 0.113 0.446 195 D N -2.495 117.827 120.400 -0.130 0.000 2.271 195 D HA -0.286 nan 4.640 nan 0.000 0.207 195 D C 1.261 177.514 176.300 -0.079 0.000 0.983 195 D CA 2.979 56.923 54.000 -0.094 0.000 0.878 195 D CB -0.373 40.394 40.800 -0.056 0.000 0.920 195 D HN 0.408 8.708 8.370 -0.115 0.000 0.479 196 I N -2.055 118.466 120.570 -0.081 0.000 2.206 196 I HA -0.260 nan 4.170 nan 0.000 0.239 196 I C 2.062 178.134 176.117 -0.075 0.000 1.078 196 I CA 2.534 63.797 61.300 -0.062 0.000 1.367 196 I CB 0.237 38.205 38.000 -0.054 0.000 1.078 196 I HN -0.975 7.136 8.210 -0.090 0.045 0.413 197 L N -0.385 120.775 121.223 -0.104 0.000 2.046 197 L HA -0.393 nan 4.340 nan 0.000 0.208 197 L C 2.675 179.455 176.870 -0.151 0.000 1.077 197 L CA 3.489 58.261 54.840 -0.114 0.000 0.747 197 L CB -0.284 41.694 42.059 -0.136 0.000 0.896 197 L HN -0.029 8.133 8.230 -0.114 0.000 0.432 198 T N -5.395 109.016 114.554 -0.238 0.000 3.160 198 T HA -0.051 nan 4.350 nan 0.000 0.257 198 T C 2.095 176.757 174.700 -0.064 0.000 1.147 198 T CA 2.603 64.502 62.100 -0.335 0.000 1.064 198 T CB -0.644 67.795 68.868 -0.716 0.000 0.949 198 T HN 0.634 8.620 8.240 -0.240 0.111 0.526 199 S N 2.485 118.165 115.700 -0.034 0.000 2.558 199 S HA -0.008 nan 4.470 nan 0.000 0.217 199 S C 0.227 174.847 174.600 0.035 0.000 0.975 199 S CA 2.272 60.485 58.200 0.022 0.000 0.912 199 S CB -0.094 63.108 63.200 0.004 0.000 0.776 199 S HN -0.079 8.008 8.310 -0.065 0.185 0.526 200 M N -0.256 119.358 119.600 0.025 0.000 2.347 200 M HA 0.189 nan 4.480 nan 0.000 0.302 200 M C -1.700 174.635 176.300 0.058 0.000 1.051 200 M CA -0.125 55.197 55.300 0.035 0.000 0.988 200 M CB 1.899 34.510 32.600 0.017 0.000 1.475 200 M HN -0.704 7.532 8.290 -0.001 0.053 0.530 201 V N 0.480 120.446 119.914 0.087 0.000 2.686 201 V HA 0.368 nan 4.120 nan 0.000 0.295 201 V C -0.826 175.344 176.094 0.126 0.000 1.055 201 V CA 1.362 63.737 62.300 0.126 0.000 1.050 201 V CB 0.342 32.296 31.823 0.218 0.000 0.984 201 V HN -0.865 7.382 8.190 0.095 0.000 0.482 202 V N 5.724 125.701 119.914 0.105 0.000 3.147 202 V HA 0.324 nan 4.120 nan 0.000 0.306 202 V C -1.747 174.388 176.094 0.069 0.000 1.209 202 V CA -1.399 60.949 62.300 0.080 0.000 1.023 202 V CB 5.036 36.899 31.823 0.067 0.000 1.059 202 V HN 0.282 8.534 8.190 0.102 0.000 0.435 203 D N 5.951 126.381 120.400 0.049 0.000 2.398 203 D HA 0.074 nan 4.640 nan 0.000 0.250 203 D C 0.851 177.172 176.300 0.036 0.000 1.287 203 D CA 0.223 54.247 54.000 0.041 0.000 0.992 203 D CB -0.453 40.362 40.800 0.025 0.000 1.071 203 D HN 0.067 8.462 8.370 0.042 0.000 0.514 204 V N 5.642 125.586 119.914 0.050 0.000 2.231 204 V HA -0.461 nan 4.120 nan 0.000 0.248 204 V C 1.426 177.542 176.094 0.036 0.000 1.054 204 V CA 3.879 66.207 62.300 0.047 0.000 1.015 204 V CB -0.198 31.671 31.823 0.077 0.000 0.638 204 V HN -0.112 8.100 8.190 0.062 0.015 0.444 205 S N -1.580 114.151 115.700 0.051 0.000 2.380 205 S HA -0.431 nan 4.470 nan 0.000 0.229 205 S C 2.153 176.772 174.600 0.032 0.000 1.043 205 S CA 3.857 62.089 58.200 0.052 0.000 1.038 205 S CB -0.729 62.502 63.200 0.053 0.000 0.872 205 S HN 0.418 8.762 8.310 0.056 0.000 0.456 206 D N 1.884 122.295 120.400 0.018 0.000 2.103 206 D HA -0.128 nan 4.640 nan 0.000 0.199 206 D C 1.780 178.065 176.300 -0.025 0.000 0.978 206 D CA 2.742 56.744 54.000 0.003 0.000 0.829 206 D CB 0.154 40.957 40.800 0.004 0.000 0.981 206 D HN -0.904 7.641 8.370 0.022 -0.162 0.464 207 L N 0.534 121.733 121.223 -0.039 0.000 1.997 207 L HA -0.444 nan 4.340 nan 0.000 0.216 207 L C 1.544 178.310 176.870 -0.173 0.000 1.074 207 L CA 3.639 58.419 54.840 -0.101 0.000 0.763 207 L CB 0.011 42.009 42.059 -0.102 0.000 0.890 207 L HN -0.567 7.651 8.230 -0.019 0.000 0.434 208 L N -3.247 117.899 121.223 -0.128 0.000 2.056 208 L HA -0.499 nan 4.340 nan 0.000 0.207 208 L C 2.105 178.940 176.870 -0.058 0.000 1.078 208 L CA 3.235 58.009 54.840 -0.109 0.000 0.749 208 L CB -0.969 41.110 42.059 0.034 0.000 0.901 208 L HN 0.084 8.271 8.230 -0.071 0.000 0.433 209 D N -1.098 119.288 120.400 -0.023 0.000 2.182 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.557 178.819 176.300 -0.063 0.000 0.986 209 D CA 3.435 57.416 54.000 -0.033 0.000 0.847 209 D CB -0.130 40.669 40.800 -0.002 0.000 0.942 209 D HN -0.157 8.211 8.370 -0.003 0.000 0.467 210 Q N -0.666 119.096 119.800 -0.063 0.000 2.016 210 Q HA -0.286 nan 4.340 nan 0.000 0.200 210 Q C 2.373 178.340 176.000 -0.055 0.000 0.978 210 Q CA 3.138 58.908 55.803 -0.055 0.000 0.833 210 Q CB 0.134 28.844 28.738 -0.047 0.000 0.895 210 Q HN 0.319 8.351 8.270 -0.064 0.200 0.427 211 A N -0.446 122.320 122.820 -0.090 0.000 1.940 211 A HA -0.327 nan 4.320 nan 0.000 0.219 211 A C 1.731 179.311 177.584 -0.006 0.000 1.176 211 A CA 3.246 55.256 52.037 -0.044 0.000 0.631 211 A CB -0.833 18.070 19.000 -0.161 0.000 0.814 211 A HN 0.024 8.085 8.150 -0.149 0.000 0.446 212 R N -1.621 118.858 120.500 -0.034 0.000 2.057 212 R HA -0.314 nan 4.340 nan 0.000 0.229 212 R C 2.859 179.119 176.300 -0.066 0.000 1.136 212 R CA 3.310 59.387 56.100 -0.038 0.000 0.952 212 R CB -0.228 30.011 30.300 -0.101 0.000 0.848 212 R HN -0.020 8.215 8.270 -0.059 0.000 0.430 213 Q N 0.029 119.773 119.800 -0.093 0.000 2.077 213 Q HA -0.284 nan 4.340 nan 0.000 0.206 213 Q C 2.016 177.993 176.000 -0.038 0.000 0.989 213 Q CA 2.931 58.686 55.803 -0.080 0.000 0.853 213 Q CB -0.081 28.615 28.738 -0.070 0.000 0.907 213 Q HN -0.412 7.797 8.270 -0.101 0.000 0.418 214 R N -3.534 116.952 120.500 -0.023 0.000 2.280 214 R HA -0.094 nan 4.340 nan 0.000 0.207 214 R C 0.181 176.486 176.300 0.008 0.000 1.043 214 R CA 0.389 56.486 56.100 -0.006 0.000 1.006 214 R CB 0.563 30.865 30.300 0.003 0.000 0.885 214 R HN -0.006 8.149 8.270 -0.028 0.099 0.467 215 G N -1.905 106.911 108.800 0.026 0.000 2.147 215 G HA2 -0.433 nan 3.960 nan 0.000 0.244 215 G HA3 -0.433 nan 3.960 nan 0.000 0.244 215 G C -0.295 174.674 174.900 0.115 0.000 1.005 215 G CA -0.014 45.128 45.100 0.069 0.000 0.713 215 G HN -0.313 7.770 8.290 0.014 0.215 0.515 216 D N 0.530 120.994 120.400 0.106 0.000 2.344 216 D HA 0.026 nan 4.640 nan 0.000 0.244 216 D C -0.537 175.949 176.300 0.310 0.000 1.134 216 D CA 0.223 54.288 54.000 0.109 0.000 0.930 216 D CB 1.031 41.925 40.800 0.156 0.000 1.175 216 D HN 0.080 8.395 8.370 0.089 0.109 0.437 217 F N 0.134 120.042 119.950 -0.069 0.000 2.439 217 F HA 0.097 nan 4.527 nan 0.000 0.356 217 F C -0.295 175.500 175.800 -0.007 0.000 1.161 217 F CA -2.205 55.691 58.000 -0.173 0.000 1.151 217 F CB -0.863 37.717 39.000 -0.700 0.000 1.222 217 F HN 0.139 8.431 8.300 -0.015 0.000 0.558 218 V N 5.895 125.993 119.914 0.306 0.000 2.394 218 V HA 0.548 nan 4.120 nan 0.000 0.282 218 V C -1.816 174.372 176.094 0.156 0.000 1.031 218 V CA -1.320 61.083 62.300 0.171 0.000 0.881 218 V CB 1.468 33.306 31.823 0.025 0.000 0.982 218 V HN 0.769 9.161 8.190 0.336 0.000 0.451 219 M N 6.204 125.844 119.600 0.066 0.000 2.294 219 M HA 0.749 nan 4.480 nan 0.000 0.335 219 M C -2.016 174.222 176.300 -0.103 0.000 1.079 219 M CA -1.432 53.931 55.300 0.106 0.000 0.982 219 M CB 3.439 36.178 32.600 0.233 0.000 1.651 219 M HN 0.880 9.089 8.290 0.046 0.109 0.437 220 F N 3.728 123.769 119.950 0.151 0.000 2.458 220 F HA 0.723 nan 4.527 nan 0.000 0.330 220 F C -1.412 174.541 175.800 0.254 0.000 1.082 220 F CA -1.392 56.716 58.000 0.179 0.000 0.995 220 F CB 2.507 41.521 39.000 0.024 0.000 1.170 220 F HN 1.069 9.493 8.300 0.392 0.112 0.478 221 E N -0.032 120.512 120.200 0.573 0.000 2.246 221 E HA 0.655 nan 4.350 nan 0.000 0.266 221 E C -0.933 175.830 176.600 0.272 0.000 0.880 221 E CA -2.111 54.531 56.400 0.404 0.000 0.762 221 E CB 3.215 33.039 29.700 0.205 0.000 1.180 221 E HN 0.571 9.304 8.360 0.622 0.000 0.416 222 G N 1.155 110.095 108.800 0.232 0.000 2.444 222 G HA2 0.330 nan 3.960 nan 0.000 0.268 222 G HA3 0.330 nan 3.960 nan 0.000 0.268 222 G C -1.227 173.624 174.900 -0.081 0.000 1.203 222 G CA -0.980 44.056 45.100 -0.106 0.000 0.835 222 G HN 0.154 8.629 8.290 0.309 0.000 0.543 223 A N 4.484 127.222 122.820 -0.136 0.000 1.920 223 A HA 0.226 nan 4.320 nan 0.000 0.209 223 A C 0.758 178.331 177.584 -0.019 0.000 1.229 223 A CA 1.013 53.019 52.037 -0.053 0.000 0.671 223 A CB 1.217 20.187 19.000 -0.050 0.000 0.886 223 A HN 1.330 9.885 8.150 -0.227 -0.541 0.461 224 Q N -0.821 118.965 119.800 -0.022 0.000 2.205 224 Q HA 0.146 nan 4.340 nan 0.000 0.249 224 Q C -0.179 175.831 176.000 0.016 0.000 0.948 224 Q CA -1.095 54.713 55.803 0.008 0.000 0.895 224 Q CB 1.692 30.441 28.738 0.017 0.000 1.249 224 Q HN -0.672 7.814 8.270 -0.052 -0.247 0.458 225 G N -0.668 108.149 108.800 0.027 0.000 2.483 225 G HA2 -0.036 nan 3.960 nan 0.000 0.248 225 G HA3 -0.036 nan 3.960 nan 0.000 0.248 225 G C 0.789 175.689 174.900 -0.001 0.000 1.248 225 G CA -0.338 44.768 45.100 0.011 0.000 0.838 225 G HN 0.043 8.358 8.290 0.040 0.000 0.566 226 T N 6.458 120.994 114.554 -0.031 0.000 2.620 226 T HA -0.418 nan 4.350 nan 0.000 0.267 226 T C 2.109 176.791 174.700 -0.030 0.000 1.044 226 T CA 4.845 66.927 62.100 -0.029 0.000 1.161 226 T CB -0.014 68.828 68.868 -0.044 0.000 0.862 226 T HN 0.674 8.779 8.240 -0.038 0.113 0.438 227 L N -1.085 120.065 121.223 -0.122 0.000 2.713 227 L HA -0.081 nan 4.340 nan 0.000 0.245 227 L C -0.119 176.810 176.870 0.099 0.000 1.169 227 L CA 0.617 55.415 54.840 -0.069 0.000 0.962 227 L CB -1.368 40.488 42.059 -0.339 0.000 1.161 227 L HN -0.632 7.457 8.230 -0.235 0.000 0.427 228 L N -2.601 118.678 121.223 0.093 0.000 2.906 228 L HA 0.126 nan 4.340 nan 0.000 0.255 228 L C -0.853 176.069 176.870 0.087 0.000 1.166 228 L CA -1.243 53.672 54.840 0.126 0.000 0.977 228 L CB 0.702 42.831 42.059 0.117 0.000 1.313 228 L HN -0.527 7.635 8.230 0.053 0.100 0.549 229 D N 1.700 122.142 120.400 0.071 0.000 2.451 229 D HA -0.197 nan 4.640 nan 0.000 0.254 229 D C 0.942 177.256 176.300 0.024 0.000 1.204 229 D CA 1.302 55.328 54.000 0.043 0.000 0.896 229 D CB 0.926 41.761 40.800 0.058 0.000 1.136 229 D HN -0.525 7.834 8.370 0.072 0.055 0.499 230 I N 7.052 127.619 120.570 -0.004 0.000 2.231 230 I HA -0.490 nan 4.170 nan 0.000 0.251 230 I C -0.439 175.640 176.117 -0.063 0.000 1.076 230 I CA 2.397 63.690 61.300 -0.012 0.000 1.347 230 I CB 0.179 38.144 38.000 -0.058 0.000 1.038 230 I HN 0.290 8.492 8.210 -0.013 0.000 0.429 231 D N -2.305 118.006 120.400 -0.149 0.000 2.394 231 D HA 0.032 nan 4.640 nan 0.000 0.237 231 D C 0.964 177.075 176.300 -0.315 0.000 1.028 231 D CA 2.187 55.995 54.000 -0.321 0.000 0.937 231 D CB 0.995 41.484 40.800 -0.519 0.000 1.072 231 D HN -0.396 8.106 8.370 -0.127 -0.208 0.457 232 H N -1.211 117.872 119.070 0.023 0.000 2.567 232 H HA 0.240 nan 4.556 nan 0.000 0.294 232 H C 0.093 175.480 175.328 0.098 0.000 1.050 232 H CA -0.411 55.669 56.048 0.052 0.000 1.168 232 H CB -0.093 29.691 29.762 0.036 0.000 1.422 232 H HN -0.509 7.895 8.280 -0.222 -0.258 0.562 233 G N -1.129 107.771 108.800 0.167 0.000 2.583 233 G HA2 0.327 nan 3.960 nan 0.000 0.280 233 G HA3 0.327 nan 3.960 nan 0.000 0.280 233 G C -0.846 174.184 174.900 0.217 0.000 1.376 233 G CA -1.005 44.205 45.100 0.184 0.000 1.043 233 G HN -0.731 7.547 8.290 0.103 0.074 0.538 234 T N 2.759 117.429 114.554 0.193 0.000 3.455 234 T HA 0.203 nan 4.350 nan 0.000 0.286 234 T C 0.389 175.210 174.700 0.202 0.000 1.157 234 T CA -0.482 61.724 62.100 0.176 0.000 1.090 234 T CB -2.130 66.771 68.868 0.055 0.000 1.112 234 T HN 0.187 8.539 8.240 0.186 0.000 0.779 235 Y N 7.994 128.325 120.300 0.051 0.000 1.807 235 Y HA -0.623 nan 4.550 nan 0.000 0.160 235 Y C -1.570 174.256 175.900 -0.123 0.000 1.054 235 Y CA 3.738 61.825 58.100 -0.021 0.000 0.792 235 Y CB -2.623 35.827 38.460 -0.016 0.000 0.659 235 Y HN -0.276 8.165 8.280 0.310 0.025 0.624 236 P HA -0.340 nan 4.420 nan 0.000 0.217 236 P C 0.746 177.700 177.300 -0.576 0.000 1.162 236 P CA 2.596 65.154 63.100 -0.903 0.000 0.901 236 P CB 0.009 30.910 31.700 -1.331 0.000 0.793 237 Y N -3.537 116.710 120.300 -0.089 0.000 2.735 237 Y HA 0.042 nan 4.550 nan 0.000 0.354 237 Y C -1.484 174.415 175.900 -0.002 0.000 1.288 237 Y CA -0.908 57.155 58.100 -0.062 0.000 1.836 237 Y CB -2.401 35.998 38.460 -0.102 0.000 1.920 237 Y HN 0.031 7.969 8.280 -0.429 0.084 0.438 238 V N -5.801 114.179 119.914 0.109 0.000 3.114 238 V HA 0.576 nan 4.120 nan 0.000 0.308 238 V C -0.625 175.521 176.094 0.087 0.000 1.168 238 V CA -2.390 59.983 62.300 0.120 0.000 1.015 238 V CB 3.323 35.237 31.823 0.151 0.000 1.050 238 V HN -0.458 7.701 8.190 0.040 0.055 0.433 239 T N 0.016 114.616 114.554 0.076 0.000 2.889 239 T HA 0.270 nan 4.350 nan 0.000 0.340 239 T C -0.429 174.305 174.700 0.057 0.000 1.145 239 T CA -0.513 61.623 62.100 0.061 0.000 0.986 239 T CB 0.664 69.564 68.868 0.054 0.000 1.461 239 T HN 0.662 8.842 8.240 0.080 0.107 0.541 240 S N -0.993 114.746 115.700 0.066 0.000 2.548 240 S HA 0.181 nan 4.470 nan 0.000 0.215 240 S C -0.869 173.682 174.600 -0.083 0.000 0.976 240 S CA 0.482 58.725 58.200 0.071 0.000 0.908 240 S CB 0.231 63.550 63.200 0.200 0.000 0.781 240 S HN 0.522 8.881 8.310 0.082 0.000 0.519 241 S N 0.496 116.124 115.700 -0.121 0.000 2.806 241 S HA 0.202 nan 4.470 nan 0.000 0.306 241 S C -1.987 172.524 174.600 -0.148 0.000 1.167 241 S CA -1.510 56.508 58.200 -0.303 0.000 0.847 241 S CB 2.544 65.529 63.200 -0.358 0.000 1.216 241 S HN -0.902 7.345 8.310 -0.033 0.043 0.532 242 N N 0.678 119.295 118.700 -0.138 0.000 2.437 242 N HA 0.153 nan 4.740 nan 0.000 0.243 242 N C 0.588 176.106 175.510 0.014 0.000 1.041 242 N CA 0.295 53.316 53.050 -0.049 0.000 0.940 242 N CB 0.821 39.284 38.487 -0.040 0.000 1.133 242 N HN 0.243 8.505 8.380 -0.196 0.000 0.506 243 T N 0.069 114.639 114.554 0.027 0.000 3.014 243 T HA 0.041 nan 4.350 nan 0.000 0.263 243 T C 0.980 175.745 174.700 0.109 0.000 1.078 243 T CA 1.119 63.247 62.100 0.048 0.000 1.135 243 T CB 0.609 69.496 68.868 0.031 0.000 0.895 243 T HN 0.021 8.416 8.240 0.019 -0.143 0.480 244 T N 0.241 114.853 114.554 0.097 0.000 2.619 244 T HA -0.047 nan 4.350 nan 0.000 0.330 244 T C 1.362 176.127 174.700 0.107 0.000 1.037 244 T CA -0.179 61.973 62.100 0.086 0.000 1.005 244 T CB 0.800 69.706 68.868 0.064 0.000 1.084 244 T HN -0.725 7.782 8.240 0.079 -0.219 0.521 245 A N -0.202 122.628 122.820 0.016 0.000 1.969 245 A HA -0.096 nan 4.320 nan 0.000 0.218 245 A C 1.980 179.484 177.584 -0.133 0.000 1.169 245 A CA 2.881 54.868 52.037 -0.082 0.000 0.635 245 A CB -0.314 18.615 19.000 -0.119 0.000 0.810 245 A HN 0.856 9.488 8.150 -0.002 -0.483 0.445 246 G N -2.095 106.664 108.800 -0.068 0.000 2.501 246 G HA2 -0.317 nan 3.960 nan 0.000 0.220 246 G HA3 -0.317 nan 3.960 nan 0.000 0.220 246 G C 0.757 175.619 174.900 -0.063 0.000 1.114 246 G CA 1.282 46.338 45.100 -0.073 0.000 0.757 246 G HN -0.295 7.976 8.290 -0.032 0.000 0.559 247 G N -0.553 108.248 108.800 0.002 0.000 2.776 247 G HA2 -0.116 nan 3.960 nan 0.000 0.209 247 G HA3 -0.116 nan 3.960 nan 0.000 0.209 247 G C 0.715 175.618 174.900 0.004 0.000 1.145 247 G CA 0.755 45.908 45.100 0.087 0.000 0.791 247 G HN -0.636 7.643 8.290 0.046 0.039 0.530 248 V N 2.393 122.130 119.914 -0.296 0.000 2.283 248 V HA -0.342 nan 4.120 nan 0.000 0.243 248 V C 1.613 177.524 176.094 -0.304 0.000 1.039 248 V CA 4.407 66.386 62.300 -0.535 0.000 1.016 248 V CB -0.594 30.767 31.823 -0.770 0.000 0.650 248 V HN 0.474 8.303 8.190 -0.300 0.181 0.449 249 A N -1.363 121.321 122.820 -0.226 0.000 1.865 249 A HA -0.407 nan 4.320 nan 0.000 0.217 249 A C 2.052 179.596 177.584 -0.067 0.000 1.191 249 A CA 3.610 55.561 52.037 -0.144 0.000 0.623 249 A CB -1.022 17.902 19.000 -0.126 0.000 0.826 249 A HN 0.050 8.061 8.150 -0.232 0.000 0.444 250 T N -0.690 113.838 114.554 -0.042 0.000 2.708 250 T HA -0.283 nan 4.350 nan 0.000 0.266 250 T C 1.681 176.413 174.700 0.052 0.000 1.037 250 T CA 3.909 66.011 62.100 0.005 0.000 1.146 250 T CB -0.148 68.723 68.868 0.005 0.000 0.865 250 T HN -0.384 7.821 8.240 -0.059 0.000 0.435 251 G N -1.418 107.439 108.800 0.096 0.000 3.181 251 G HA2 0.156 nan 3.960 nan 0.000 0.219 251 G HA3 0.156 nan 3.960 nan 0.000 0.219 251 G C -0.166 174.841 174.900 0.179 0.000 1.182 251 G CA 0.183 45.382 45.100 0.164 0.000 0.791 251 G HN 0.059 8.296 8.290 0.094 0.109 0.537 252 S N -0.803 114.973 115.700 0.127 0.000 2.882 252 S HA 0.161 nan 4.470 nan 0.000 0.258 252 S C 0.832 175.503 174.600 0.120 0.000 1.081 252 S CA 0.506 58.807 58.200 0.168 0.000 0.886 252 S CB 2.608 65.948 63.200 0.233 0.000 0.855 252 S HN -0.762 7.520 8.310 0.071 0.070 0.467 253 G N 3.249 112.091 108.800 0.069 0.000 2.145 253 G HA2 -0.273 nan 3.960 nan 0.000 0.176 253 G HA3 -0.273 nan 3.960 nan 0.000 0.176 253 G C -1.767 173.167 174.900 0.056 0.000 1.013 253 G CA 0.122 45.256 45.100 0.056 0.000 0.689 253 G HN -0.061 8.252 8.290 0.038 0.000 0.506 254 L N -0.749 120.494 121.223 0.033 0.000 2.342 254 L HA 0.373 nan 4.340 nan 0.000 0.276 254 L C -0.624 176.227 176.870 -0.031 0.000 0.997 254 L CA -1.279 53.596 54.840 0.059 0.000 0.838 254 L CB 1.539 43.665 42.059 0.113 0.000 1.224 254 L HN -0.926 7.301 8.230 -0.005 0.000 0.416 255 G N 3.838 112.608 108.800 -0.049 0.000 2.818 255 G HA2 -0.096 nan 3.960 nan 0.000 0.235 255 G HA3 -0.096 nan 3.960 nan 0.000 0.235 255 G C 0.008 174.761 174.900 -0.246 0.000 1.244 255 G CA -0.903 44.090 45.100 -0.180 0.000 0.853 255 G HN 0.282 8.580 8.290 0.014 0.000 0.596 256 P HA -0.197 nan 4.420 nan 0.000 0.216 256 P C 1.449 178.609 177.300 -0.234 0.000 1.150 256 P CA 2.161 65.133 63.100 -0.214 0.000 0.837 256 P CB 0.211 31.808 31.700 -0.172 0.000 0.786 257 R N -2.911 117.376 120.500 -0.356 0.000 2.316 257 R HA -0.119 nan 4.340 nan 0.000 0.202 257 R C 0.813 176.995 176.300 -0.195 0.000 1.029 257 R CA 1.650 57.554 56.100 -0.326 0.000 1.018 257 R CB -0.466 29.588 30.300 -0.409 0.000 0.888 257 R HN 0.422 8.391 8.270 -0.456 0.027 0.471 258 Y N -3.812 116.462 120.300 -0.043 0.000 2.507 258 Y HA 0.072 nan 4.550 nan 0.000 0.254 258 Y C -0.513 175.377 175.900 -0.017 0.000 1.171 258 Y CA -1.770 56.320 58.100 -0.016 0.000 1.238 258 Y CB -0.267 38.196 38.460 0.005 0.000 1.148 258 Y HN -0.759 7.310 8.280 -0.255 0.058 0.525 259 V N 0.524 120.463 119.914 0.042 0.000 2.488 259 V HA -0.177 nan 4.120 nan 0.000 0.277 259 V C -0.027 176.092 176.094 0.041 0.000 1.046 259 V CA 1.029 63.325 62.300 -0.008 0.000 0.986 259 V CB -0.281 31.466 31.823 -0.128 0.000 0.989 259 V HN -0.733 7.442 8.190 -0.026 0.000 0.475 260 D N 7.094 127.547 120.400 0.088 0.000 2.320 260 D HA 0.102 nan 4.640 nan 0.000 0.228 260 D C -0.883 175.476 176.300 0.099 0.000 0.978 260 D CA 2.284 56.342 54.000 0.096 0.000 0.905 260 D CB 1.597 42.471 40.800 0.123 0.000 1.051 260 D HN 0.835 9.153 8.370 0.119 0.123 0.471 261 Y N -1.013 119.254 120.300 -0.055 0.000 2.406 261 Y HA 0.098 nan 4.550 nan 0.000 0.340 261 Y C -2.739 173.095 175.900 -0.110 0.000 0.975 261 Y CA -0.847 57.194 58.100 -0.099 0.000 1.056 261 Y CB 3.418 41.798 38.460 -0.134 0.000 1.210 261 Y HN -0.431 7.944 8.280 0.158 0.000 0.448 262 V N 8.086 127.809 119.914 -0.320 0.000 2.275 262 V HA 0.333 nan 4.120 nan 0.000 0.272 262 V C -1.774 174.146 176.094 -0.290 0.000 1.028 262 V CA -1.417 60.751 62.300 -0.220 0.000 0.810 262 V CB -0.249 31.436 31.823 -0.231 0.000 1.043 262 V HN 0.124 7.944 8.190 -0.617 0.000 0.453 263 L N 8.899 130.095 121.223 -0.045 0.000 2.281 263 L HA 0.611 nan 4.340 nan 0.000 0.285 263 L C -1.588 175.268 176.870 -0.024 0.000 1.074 263 L CA -1.115 53.734 54.840 0.016 0.000 0.817 263 L CB 2.247 44.415 42.059 0.182 0.000 1.168 263 L HN 0.836 9.095 8.230 0.049 0.000 0.434 264 G N 6.764 115.512 108.800 -0.086 0.000 2.370 264 G HA2 0.495 nan 3.960 nan 0.000 0.317 264 G HA3 0.495 nan 3.960 nan 0.000 0.317 264 G C -2.054 172.975 174.900 0.216 0.000 1.162 264 G CA -1.725 43.385 45.100 0.017 0.000 0.922 264 G HN 0.251 8.421 8.290 -0.201 0.000 0.454 265 I N 6.829 127.491 120.570 0.154 0.000 2.352 265 I HA 0.179 nan 4.170 nan 0.000 0.290 265 I C -1.169 175.007 176.117 0.098 0.000 1.036 265 I CA 0.321 61.698 61.300 0.129 0.000 1.336 265 I CB 0.546 38.578 38.000 0.055 0.000 1.407 265 I HN 0.318 8.588 8.210 0.101 0.000 0.497 266 L N 9.700 130.952 121.223 0.049 0.000 2.329 266 L HA 0.598 nan 4.340 nan 0.000 0.279 266 L C -2.416 174.389 176.870 -0.108 0.000 1.014 266 L CA -1.696 53.070 54.840 -0.122 0.000 0.814 266 L CB 4.134 45.923 42.059 -0.450 0.000 1.257 266 L HN 0.649 8.812 8.230 0.077 0.113 0.424 267 K N 6.071 126.390 120.400 -0.134 0.000 2.156 267 K HA 0.198 nan 4.320 nan 0.000 0.271 267 K C 0.051 176.591 176.600 -0.100 0.000 0.995 267 K CA -1.186 55.005 56.287 -0.160 0.000 0.890 267 K CB 1.523 33.844 32.500 -0.298 0.000 1.073 267 K HN 0.230 8.720 8.250 -0.146 -0.328 0.454 268 A N 5.684 128.518 122.820 0.024 0.000 2.159 268 A HA -0.312 nan 4.320 nan 0.000 0.222 268 A C -1.780 176.024 177.584 0.367 0.000 1.163 268 A CA 2.822 55.019 52.037 0.266 0.000 0.664 268 A CB 0.259 19.499 19.000 0.400 0.000 0.803 268 A HN 0.613 8.672 8.150 0.025 0.106 0.470 269 Y N -9.322 111.076 120.300 0.162 0.000 2.689 269 Y HA 0.404 nan 4.550 nan 0.000 0.333 269 Y C -2.632 173.364 175.900 0.161 0.000 1.208 269 Y CA -4.010 54.192 58.100 0.170 0.000 1.055 269 Y CB 2.741 41.264 38.460 0.106 0.000 1.304 269 Y HN -0.936 7.044 8.280 -0.420 0.048 0.455 270 S N -0.272 115.609 115.700 0.302 0.000 2.651 270 S HA 0.327 nan 4.470 nan 0.000 0.291 270 S C -1.283 173.561 174.600 0.408 0.000 1.141 270 S CA -1.631 56.735 58.200 0.276 0.000 1.027 270 S CB 2.757 66.213 63.200 0.427 0.000 1.043 270 S HN -0.124 8.461 8.310 0.458 0.000 0.530 271 T N -5.055 109.605 114.554 0.177 0.000 2.883 271 T HA 0.376 nan 4.350 nan 0.000 0.301 271 T C -1.782 172.842 174.700 -0.128 0.000 1.158 271 T CA -1.742 60.455 62.100 0.163 0.000 1.007 271 T CB 2.970 71.910 68.868 0.121 0.000 1.186 271 T HN -0.023 8.275 8.240 0.096 0.000 0.499 272 R N 1.711 122.130 120.500 -0.134 0.000 2.604 272 R HA 0.393 nan 4.340 nan 0.000 0.281 272 R C -2.090 174.118 176.300 -0.153 0.000 1.020 272 R CA -0.399 55.498 56.100 -0.339 0.000 0.899 272 R CB 4.113 33.954 30.300 -0.766 0.000 1.205 272 R HN 0.675 8.864 8.270 0.081 0.129 0.450 273 V N 6.517 126.347 119.914 -0.141 0.000 2.318 273 V HA 0.344 nan 4.120 nan 0.000 0.271 273 V C 0.056 176.089 176.094 -0.103 0.000 1.030 273 V CA 0.005 62.260 62.300 -0.075 0.000 0.844 273 V CB -0.845 30.961 31.823 -0.028 0.000 1.015 273 V HN 0.509 8.602 8.190 -0.160 0.000 0.460 274 G N 5.949 114.692 108.800 -0.095 0.000 2.549 274 G HA2 -0.145 nan 3.960 nan 0.000 0.404 274 G HA3 -0.145 nan 3.960 nan 0.000 0.404 274 G C -1.593 173.194 174.900 -0.187 0.000 1.292 274 G CA -0.848 44.189 45.100 -0.105 0.000 0.935 274 G HN -0.312 7.936 8.290 -0.070 0.000 0.512 275 A N -0.139 122.558 122.820 -0.206 0.000 2.466 275 A HA 0.114 nan 4.320 nan 0.000 0.238 275 A C -0.465 176.640 177.584 -0.799 0.000 1.074 275 A CA 0.656 52.456 52.037 -0.395 0.000 0.774 275 A CB 0.625 19.470 19.000 -0.260 0.000 1.015 275 A HN 0.370 8.447 8.150 -0.122 0.000 0.498 276 G N -1.687 106.495 108.800 -1.030 0.000 2.375 276 G HA2 -0.131 nan 3.960 nan 0.000 0.663 276 G HA3 -0.131 nan 3.960 nan 0.000 0.663 276 G C -3.210 171.333 174.900 -0.595 0.000 1.391 276 G CA -0.604 43.821 45.100 -1.125 0.000 0.949 276 G HN -0.380 7.461 8.290 -0.748 0.000 0.646 277 P HA 0.116 nan 4.420 nan 0.000 0.267 277 P C -2.037 175.088 177.300 -0.292 0.000 1.209 277 P CA 0.309 63.240 63.100 -0.283 0.000 0.763 277 P CB 0.306 31.805 31.700 -0.336 0.000 0.816 278 F N 5.027 124.831 119.950 -0.244 0.000 2.794 278 F HA 0.327 nan 4.527 nan 0.000 0.353 278 F C -2.212 173.593 175.800 0.008 0.000 1.371 278 F CA -4.459 53.406 58.000 -0.225 0.000 1.173 278 F CB 0.067 38.842 39.000 -0.376 0.000 1.693 278 F HN 0.133 8.481 8.300 0.079 0.000 0.606 279 P HA -0.122 nan 4.420 nan 0.000 0.227 279 P C -1.058 176.371 177.300 0.216 0.000 1.145 279 P CA 2.308 65.551 63.100 0.238 0.000 0.769 279 P CB -0.234 31.547 31.700 0.135 0.000 0.769 280 T N -9.851 104.854 114.554 0.251 0.000 3.145 280 T HA 0.110 nan 4.350 nan 0.000 0.281 280 T C -0.560 173.950 174.700 -0.317 0.000 1.003 280 T CA -2.475 59.747 62.100 0.204 0.000 0.901 280 T CB -0.627 68.545 68.868 0.506 0.000 1.112 280 T HN -0.501 7.942 8.240 0.439 0.060 0.535 281 E N 1.950 121.611 120.200 -0.899 0.000 2.442 281 E HA -0.185 nan 4.350 nan 0.000 0.262 281 E C -0.725 175.345 176.600 -0.884 0.000 1.004 281 E CA 0.788 56.380 56.400 -1.346 0.000 0.928 281 E CB 0.641 29.595 29.700 -1.243 0.000 0.937 281 E HN -0.301 7.560 8.360 -0.666 0.099 0.446 282 L N 4.341 125.076 121.223 -0.813 0.000 2.307 282 L HA 0.164 nan 4.340 nan 0.000 0.284 282 L C -0.424 176.108 176.870 -0.563 0.000 1.023 282 L CA -0.698 53.811 54.840 -0.551 0.000 0.810 282 L CB 0.999 42.803 42.059 -0.425 0.000 1.231 282 L HN 0.289 7.916 8.230 -0.822 0.110 0.423 283 F N 0.668 120.567 119.950 -0.085 0.000 2.661 283 F HA 0.171 nan 4.527 nan 0.000 0.306 283 F C -0.101 175.675 175.800 -0.040 0.000 1.094 283 F CA -0.381 57.583 58.000 -0.061 0.000 1.254 283 F CB 0.616 39.590 39.000 -0.043 0.000 1.040 283 F HN 0.273 8.545 8.300 -0.048 0.000 0.562 284 D N 0.006 120.456 120.400 0.082 0.000 2.570 284 D HA 0.131 nan 4.640 nan 0.000 0.266 284 D C 1.358 177.669 176.300 0.018 0.000 1.182 284 D CA -1.019 53.014 54.000 0.055 0.000 1.088 284 D CB 0.444 41.275 40.800 0.052 0.000 1.186 284 D HN -0.446 7.870 8.370 0.011 0.061 0.618 285 E N -1.687 118.524 120.200 0.018 0.000 2.051 285 E HA -0.276 nan 4.350 nan 0.000 0.192 285 E C 2.519 179.124 176.600 0.009 0.000 0.991 285 E CA 3.380 59.793 56.400 0.022 0.000 0.799 285 E CB -0.306 29.410 29.700 0.026 0.000 0.748 285 E HN 0.326 8.699 8.360 0.023 0.000 0.449 286 T N 3.370 117.897 114.554 -0.044 0.000 2.737 286 T HA -0.307 nan 4.350 nan 0.000 0.269 286 T C 1.814 176.401 174.700 -0.189 0.000 1.040 286 T CA 4.568 66.585 62.100 -0.137 0.000 1.142 286 T CB -0.828 67.944 68.868 -0.159 0.000 0.861 286 T HN 0.018 8.422 8.240 -0.029 -0.181 0.456 287 G N 1.367 110.050 108.800 -0.195 0.000 2.484 287 G HA2 -0.390 nan 3.960 nan 0.000 0.215 287 G HA3 -0.390 nan 3.960 nan 0.000 0.215 287 G C 0.644 175.465 174.900 -0.131 0.000 1.219 287 G CA 1.941 46.906 45.100 -0.226 0.000 0.791 287 G HN -0.469 7.909 8.290 -0.149 -0.178 0.550 288 E N 2.308 122.475 120.200 -0.055 0.000 2.114 288 E HA -0.449 nan 4.350 nan 0.000 0.199 288 E C 2.314 178.898 176.600 -0.027 0.000 1.008 288 E CA 2.907 59.292 56.400 -0.025 0.000 0.810 288 E CB -0.378 29.330 29.700 0.012 0.000 0.739 288 E HN -0.754 7.580 8.360 -0.044 0.000 0.456 289 F N 1.169 121.024 119.950 -0.159 0.000 2.046 289 F HA -0.399 nan 4.527 nan 0.000 0.297 289 F C 1.614 177.265 175.800 -0.249 0.000 1.123 289 F CA 3.849 61.743 58.000 -0.176 0.000 1.199 289 F CB 0.156 39.047 39.000 -0.182 0.000 0.972 289 F HN 0.242 8.458 8.300 0.132 0.163 0.474 290 L N -1.940 119.266 121.223 -0.029 0.000 2.012 290 L HA -0.590 nan 4.340 nan 0.000 0.210 290 L C 2.277 178.940 176.870 -0.344 0.000 1.073 290 L CA 3.329 57.962 54.840 -0.346 0.000 0.748 290 L CB -0.494 41.199 42.059 -0.610 0.000 0.891 290 L HN 0.243 8.351 8.230 -0.023 0.108 0.431 291 C N -1.596 117.553 119.300 -0.252 0.000 2.436 291 C HA -0.467 nan 4.460 nan 0.000 0.277 291 C C 1.992 176.754 174.990 -0.380 0.000 1.241 291 C CA 3.756 62.617 59.018 -0.261 0.000 1.721 291 C CB -1.867 25.760 27.740 -0.189 0.000 2.043 291 C HN 0.421 8.522 8.230 -0.214 0.000 0.472 292 K N -0.120 120.115 120.400 -0.276 0.000 1.977 292 K HA -0.424 nan 4.320 nan 0.000 0.218 292 K C 2.858 179.309 176.600 -0.249 0.000 1.051 292 K CA 3.396 59.547 56.287 -0.226 0.000 0.953 292 K CB -0.392 31.998 32.500 -0.182 0.000 0.727 292 K HN -0.031 8.095 8.250 -0.208 0.000 0.445 293 Q N -3.468 116.153 119.800 -0.299 0.000 2.226 293 Q HA -0.188 nan 4.340 nan 0.000 0.204 293 Q C 2.060 177.989 176.000 -0.119 0.000 0.975 293 Q CA 2.034 57.697 55.803 -0.234 0.000 0.866 293 Q CB -0.198 28.344 28.738 -0.326 0.000 0.915 293 Q HN -0.071 7.970 8.270 -0.381 0.000 0.440 294 G N -3.455 105.265 108.800 -0.134 0.000 2.623 294 G HA2 -0.056 nan 3.960 nan 0.000 0.214 294 G HA3 -0.056 nan 3.960 nan 0.000 0.214 294 G C -1.150 173.715 174.900 -0.059 0.000 1.138 294 G CA -0.575 44.526 45.100 0.002 0.000 0.794 294 G HN -0.038 8.109 8.290 -0.210 0.017 0.535 295 N N -1.927 116.626 118.700 -0.244 0.000 2.756 295 N HA -0.413 nan 4.740 nan 0.000 0.248 295 N C -0.059 175.245 175.510 -0.343 0.000 1.062 295 N CA 0.586 53.443 53.050 -0.322 0.000 0.696 295 N CB -0.333 38.156 38.487 0.002 0.000 0.946 295 N HN -0.349 7.691 8.380 -0.326 0.144 0.548 296 E N -0.316 119.593 120.200 -0.484 0.000 2.422 296 E HA 0.112 nan 4.350 nan 0.000 0.267 296 E C -1.305 175.144 176.600 -0.251 0.000 1.466 296 E CA -1.527 54.730 56.400 -0.238 0.000 1.767 296 E CB -1.680 27.966 29.700 -0.090 0.000 1.471 296 E HN -0.371 7.618 8.360 -0.618 0.000 0.446 297 F N -0.996 118.979 119.950 0.042 0.000 2.399 297 F HA 0.174 nan 4.527 nan 0.000 0.328 297 F C 1.578 177.398 175.800 0.033 0.000 1.084 297 F CA -1.475 56.543 58.000 0.030 0.000 1.053 297 F CB 0.832 39.844 39.000 0.021 0.000 1.209 297 F HN -0.439 7.673 8.300 -0.138 0.105 0.502 298 G N 0.851 109.775 108.800 0.207 0.000 3.234 298 G HA2 -0.176 nan 3.960 nan 0.000 0.221 298 G HA3 -0.176 nan 3.960 nan 0.000 0.221 298 G C -0.286 174.684 174.900 0.117 0.000 1.229 298 G CA -0.626 44.548 45.100 0.125 0.000 0.909 298 G HN 0.249 8.673 8.290 0.224 0.000 0.510 299 A N -2.312 120.597 122.820 0.147 0.000 2.771 299 A HA -0.225 nan 4.320 nan 0.000 0.294 299 A C -1.094 176.542 177.584 0.086 0.000 1.500 299 A CA 1.080 53.187 52.037 0.118 0.000 0.829 299 A CB -1.461 17.602 19.000 0.104 0.000 0.998 299 A HN -0.510 7.625 8.150 0.207 0.139 0.526 300 T N -3.171 111.427 114.554 0.074 0.000 3.510 300 T HA -0.105 nan 4.350 nan 0.000 0.438 300 T C -0.496 174.230 174.700 0.043 0.000 1.204 300 T CA -0.339 61.791 62.100 0.050 0.000 1.043 300 T CB 0.556 69.456 68.868 0.054 0.000 1.406 300 T HN -0.410 7.836 8.240 0.087 0.046 0.427 301 T N -1.154 113.413 114.554 0.022 0.000 3.538 301 T HA -0.242 nan 4.350 nan 0.000 0.385 301 T C 0.195 174.916 174.700 0.035 0.000 0.766 301 T CA 0.074 62.187 62.100 0.020 0.000 1.906 301 T CB -0.957 67.921 68.868 0.016 0.000 1.760 301 T HN 0.108 8.357 8.240 0.016 0.000 0.678 302 G N -0.753 108.078 108.800 0.052 0.000 2.475 302 G HA2 0.087 nan 3.960 nan 0.000 0.322 302 G HA3 0.087 nan 3.960 nan 0.000 0.322 302 G C -1.458 173.497 174.900 0.092 0.000 1.044 302 G CA -1.167 43.981 45.100 0.081 0.000 1.047 302 G HN -0.102 8.231 8.290 0.043 -0.017 0.436 303 R N 5.651 126.189 120.500 0.064 0.000 2.370 303 R HA -0.155 nan 4.340 nan 0.000 0.309 303 R C -0.413 175.938 176.300 0.085 0.000 1.059 303 R CA -0.299 55.839 56.100 0.064 0.000 0.981 303 R CB 0.724 31.049 30.300 0.041 0.000 0.972 303 R HN -0.466 7.834 8.270 0.049 0.000 0.437 304 R N 5.947 126.517 120.500 0.117 0.000 2.531 304 R HA -0.346 nan 4.340 nan 0.000 0.269 304 R C -0.144 176.199 176.300 0.071 0.000 0.898 304 R CA 1.359 57.534 56.100 0.125 0.000 1.111 304 R CB 0.047 30.416 30.300 0.114 0.000 0.865 304 R HN 0.289 8.632 8.270 0.121 0.000 0.427 305 R N 5.894 126.426 120.500 0.053 0.000 2.390 305 R HA 0.061 nan 4.340 nan 0.000 0.291 305 R C 0.236 176.563 176.300 0.046 0.000 1.070 305 R CA -0.230 55.892 56.100 0.038 0.000 1.014 305 R CB 1.105 31.425 30.300 0.033 0.000 1.007 305 R HN -0.185 8.114 8.270 0.048 0.000 0.466 306 R N 3.130 123.665 120.500 0.059 0.000 2.756 306 R HA -0.061 nan 4.340 nan 0.000 0.264 306 R C -0.764 175.667 176.300 0.218 0.000 1.026 306 R CA 1.379 57.542 56.100 0.106 0.000 1.121 306 R CB 0.439 30.847 30.300 0.180 0.000 0.999 306 R HN 0.703 8.907 8.270 0.032 0.086 0.449 307 T N -4.542 110.049 114.554 0.062 0.000 2.887 307 T HA 0.911 nan 4.350 nan 0.000 0.292 307 T C -1.274 173.212 174.700 -0.358 0.000 1.087 307 T CA -2.266 59.858 62.100 0.039 0.000 1.009 307 T CB 4.046 72.852 68.868 -0.105 0.000 1.203 307 T HN 0.285 8.445 8.240 -0.133 0.000 0.518 308 G N -0.905 107.771 108.800 -0.205 0.000 2.313 308 G HA2 0.231 nan 3.960 nan 0.000 0.296 308 G HA3 0.231 nan 3.960 nan 0.000 0.296 308 G C -2.412 172.358 174.900 -0.217 0.000 1.356 308 G CA 0.788 45.632 45.100 -0.427 0.000 0.833 308 G HN -0.484 7.840 8.290 0.056 0.000 0.552 309 W N -2.207 119.180 121.300 0.145 0.000 2.049 309 W HA 0.176 nan 4.660 nan 0.000 0.356 309 W C -0.017 176.707 176.519 0.342 0.000 1.323 309 W CA -0.145 57.331 57.345 0.219 0.000 1.336 309 W CB 0.825 30.367 29.460 0.137 0.000 1.176 309 W HN -0.341 7.720 8.180 -0.199 0.000 0.623 310 L N -0.217 121.338 121.223 0.553 0.000 2.426 310 L HA -0.126 nan 4.340 nan 0.000 0.271 310 L C -1.699 175.390 176.870 0.365 0.000 1.169 310 L CA 0.667 55.735 54.840 0.380 0.000 0.836 310 L CB 1.102 43.318 42.059 0.262 0.000 1.112 310 L HN 0.565 9.174 8.230 0.632 0.000 0.465 311 D N 4.769 125.345 120.400 0.294 0.000 2.472 311 D HA 0.267 nan 4.640 nan 0.000 0.234 311 D C 0.480 176.842 176.300 0.103 0.000 1.088 311 D CA -1.165 52.994 54.000 0.265 0.000 0.882 311 D CB 1.108 42.148 40.800 0.401 0.000 1.037 311 D HN 0.098 8.617 8.370 0.248 0.000 0.520 312 T N 6.082 120.664 114.554 0.047 0.000 2.929 312 T HA -0.246 nan 4.350 nan 0.000 0.271 312 T C 1.785 176.444 174.700 -0.069 0.000 1.085 312 T CA 3.494 65.579 62.100 -0.025 0.000 1.125 312 T CB -0.339 68.508 68.868 -0.035 0.000 0.874 312 T HN 0.032 8.318 8.240 0.078 0.000 0.494 313 V N 0.114 119.948 119.914 -0.134 0.000 2.379 313 V HA -0.237 nan 4.120 nan 0.000 0.245 313 V C 1.381 177.400 176.094 -0.124 0.000 1.044 313 V CA 3.867 66.007 62.300 -0.266 0.000 1.036 313 V CB -1.038 30.337 31.823 -0.745 0.000 0.664 313 V HN 0.369 8.762 8.190 -0.108 -0.268 0.453 314 A N -0.796 122.029 122.820 0.007 0.000 1.872 314 A HA -0.217 nan 4.320 nan 0.000 0.214 314 A C 1.822 179.381 177.584 -0.042 0.000 1.187 314 A CA 3.284 55.373 52.037 0.087 0.000 0.614 314 A CB -0.500 18.577 19.000 0.128 0.000 0.826 314 A HN -0.635 7.893 8.150 0.036 -0.356 0.442 315 V N -1.231 118.650 119.914 -0.055 0.000 2.594 315 V HA -0.441 nan 4.120 nan 0.000 0.253 315 V C 2.127 178.231 176.094 0.018 0.000 1.069 315 V CA 4.014 66.287 62.300 -0.045 0.000 1.082 315 V CB -1.260 30.527 31.823 -0.060 0.000 0.680 315 V HN 0.285 8.457 8.190 -0.030 0.000 0.469 316 R N -0.858 119.638 120.500 -0.007 0.000 2.115 316 R HA -0.278 nan 4.340 nan 0.000 0.226 316 R C 1.728 178.014 176.300 -0.023 0.000 1.100 316 R CA 3.440 59.535 56.100 -0.008 0.000 0.980 316 R CB -0.140 30.136 30.300 -0.040 0.000 0.875 316 R HN -0.428 7.701 8.270 -0.030 0.124 0.445 317 R N -0.533 119.954 120.500 -0.021 0.000 2.070 317 R HA -0.273 nan 4.340 nan 0.000 0.232 317 R C 1.644 177.924 176.300 -0.034 0.000 1.138 317 R CA 2.155 58.244 56.100 -0.017 0.000 0.936 317 R CB -1.072 29.248 30.300 0.035 0.000 0.839 317 R HN -0.695 7.565 8.270 -0.018 0.000 0.429 318 A N -1.368 121.431 122.820 -0.035 0.000 1.869 318 A HA -0.354 nan 4.320 nan 0.000 0.218 318 A C 2.348 179.904 177.584 -0.046 0.000 1.203 318 A CA 3.218 55.232 52.037 -0.039 0.000 0.638 318 A CB -0.965 18.016 19.000 -0.030 0.000 0.831 318 A HN -0.573 7.554 8.150 -0.040 0.000 0.450 319 V N -1.170 118.725 119.914 -0.032 0.000 2.282 319 V HA -0.522 nan 4.120 nan 0.000 0.249 319 V C 2.243 178.274 176.094 -0.105 0.000 1.057 319 V CA 4.221 66.468 62.300 -0.089 0.000 1.032 319 V CB -1.007 30.783 31.823 -0.055 0.000 0.645 319 V HN -0.453 7.745 8.190 0.013 0.000 0.447 320 Q N -0.324 119.425 119.800 -0.084 0.000 2.079 320 Q HA -0.262 nan 4.340 nan 0.000 0.200 320 Q C 2.361 178.295 176.000 -0.110 0.000 0.974 320 Q CA 3.055 58.801 55.803 -0.095 0.000 0.840 320 Q CB -0.033 28.654 28.738 -0.085 0.000 0.898 320 Q HN -0.475 7.756 8.270 -0.065 0.000 0.430 321 L N -3.011 118.149 121.223 -0.106 0.000 2.376 321 L HA -0.146 nan 4.340 nan 0.000 0.219 321 L C 0.671 177.490 176.870 -0.086 0.000 1.133 321 L CA 1.803 56.576 54.840 -0.111 0.000 0.816 321 L CB 0.121 42.132 42.059 -0.080 0.000 0.933 321 L HN 0.086 8.263 8.230 -0.089 0.000 0.449 322 N N -3.816 114.827 118.700 -0.096 0.000 2.159 322 N HA 0.095 nan 4.740 nan 0.000 0.217 322 N C -0.698 174.729 175.510 -0.139 0.000 1.223 322 N CA -0.237 52.750 53.050 -0.105 0.000 0.896 322 N CB 1.621 40.050 38.487 -0.097 0.000 1.064 322 N HN -0.675 7.613 8.380 -0.101 0.032 0.518 323 S N -1.413 114.201 115.700 -0.143 0.000 3.436 323 S HA -0.538 nan 4.470 nan 0.000 0.393 323 S C -0.275 174.195 174.600 -0.216 0.000 0.914 323 S CA 1.295 59.398 58.200 -0.161 0.000 1.317 323 S CB -2.408 60.707 63.200 -0.143 0.000 0.920 323 S HN -0.336 7.896 8.310 -0.129 0.000 0.564 324 L N -0.619 120.452 121.223 -0.254 0.000 2.456 324 L HA -0.064 nan 4.340 nan 0.000 0.272 324 L C 0.911 177.531 176.870 -0.417 0.000 1.189 324 L CA 0.898 55.520 54.840 -0.362 0.000 0.846 324 L CB 0.511 42.299 42.059 -0.452 0.000 1.111 324 L HN -0.439 7.658 8.230 -0.221 0.000 0.475 325 S N 1.050 116.406 115.700 -0.573 0.000 2.468 325 S HA 0.179 nan 4.470 nan 0.000 0.226 325 S C -0.802 173.437 174.600 -0.602 0.000 1.051 325 S CA 1.432 59.208 58.200 -0.706 0.000 0.943 325 S CB 1.897 64.285 63.200 -1.354 0.000 0.810 325 S HN 0.383 8.327 8.310 -0.610 0.000 0.509 326 G N -3.526 104.930 108.800 -0.574 0.000 2.547 326 G HA2 0.216 nan 3.960 nan 0.000 0.291 326 G HA3 0.216 nan 3.960 nan 0.000 0.291 326 G C -3.186 171.513 174.900 -0.335 0.000 1.471 326 G CA 0.390 45.318 45.100 -0.287 0.000 0.798 326 G HN -0.989 6.914 8.290 -0.645 0.000 0.504 327 F N -1.157 118.789 119.950 -0.008 0.000 2.497 327 F HA 0.865 nan 4.527 nan 0.000 0.331 327 F C -1.562 174.247 175.800 0.015 0.000 1.060 327 F CA -2.392 55.603 58.000 -0.008 0.000 0.989 327 F CB 4.257 43.244 39.000 -0.022 0.000 1.245 327 F HN -0.090 8.130 8.300 0.050 0.109 0.486 328 C N 3.246 122.724 119.300 0.296 0.000 2.534 328 C HA 0.507 nan 4.460 nan 0.000 0.309 328 C C -1.500 173.553 174.990 0.106 0.000 1.072 328 C CA -1.795 57.312 59.018 0.149 0.000 1.441 328 C CB -0.038 27.759 27.740 0.095 0.000 1.906 328 C HN 0.338 8.818 8.230 0.416 0.000 0.429 329 L N 10.404 131.669 121.223 0.070 0.000 2.360 329 L HA 0.553 nan 4.340 nan 0.000 0.276 329 L C -1.891 174.998 176.870 0.032 0.000 1.121 329 L CA 0.228 55.082 54.840 0.023 0.000 0.845 329 L CB 2.223 44.297 42.059 0.024 0.000 1.143 329 L HN 0.172 8.450 8.230 0.081 0.000 0.452 330 T N 2.453 117.019 114.554 0.020 0.000 2.949 330 T HA 0.473 nan 4.350 nan 0.000 0.287 330 T C -0.213 174.525 174.700 0.062 0.000 1.034 330 T CA -1.863 60.252 62.100 0.025 0.000 1.018 330 T CB 1.930 70.797 68.868 -0.001 0.000 1.135 330 T HN 1.067 9.198 8.240 -0.003 0.108 0.532 331 K N -0.707 119.742 120.400 0.082 0.000 3.003 331 K HA -0.438 nan 4.320 nan 0.000 0.257 331 K C 1.005 177.750 176.600 0.242 0.000 0.958 331 K CA 1.514 57.896 56.287 0.158 0.000 0.707 331 K CB -2.134 30.468 32.500 0.171 0.000 1.279 331 K HN 0.581 8.864 8.250 0.055 0.000 0.479 332 L N -1.708 119.639 121.223 0.207 0.000 2.131 332 L HA -0.346 nan 4.340 nan 0.000 0.210 332 L C 0.499 177.570 176.870 0.336 0.000 1.092 332 L CA 3.342 58.344 54.840 0.270 0.000 0.759 332 L CB -0.031 42.133 42.059 0.174 0.000 0.903 332 L HN -0.306 7.981 8.230 0.143 0.029 0.435 333 D N -1.429 119.137 120.400 0.277 0.000 2.263 333 D HA -0.283 nan 4.640 nan 0.000 0.208 333 D C 2.012 178.500 176.300 0.314 0.000 0.971 333 D CA 2.722 56.917 54.000 0.326 0.000 0.867 333 D CB -0.676 40.316 40.800 0.320 0.000 0.929 333 D HN 0.203 8.681 8.370 0.209 0.018 0.492 334 V N -0.865 119.215 119.914 0.276 0.000 2.867 334 V HA -0.243 nan 4.120 nan 0.000 0.260 334 V C 0.683 176.880 176.094 0.172 0.000 1.099 334 V CA 2.028 64.445 62.300 0.194 0.000 1.122 334 V CB -0.706 31.238 31.823 0.201 0.000 0.708 334 V HN -0.546 7.665 8.190 0.294 0.155 0.490 335 L N -5.384 115.963 121.223 0.206 0.000 2.591 335 L HA 0.077 nan 4.340 nan 0.000 0.228 335 L C -0.263 176.452 176.870 -0.257 0.000 1.133 335 L CA -0.458 54.379 54.840 -0.006 0.000 0.880 335 L CB -0.483 41.549 42.059 -0.046 0.000 1.033 335 L HN -0.738 7.534 8.230 0.319 0.149 0.450 336 D N 0.071 120.507 120.400 0.059 0.000 2.488 336 D HA -0.169 nan 4.640 nan 0.000 0.238 336 D C 0.839 177.093 176.300 -0.076 0.000 1.138 336 D CA 1.781 55.768 54.000 -0.022 0.000 0.873 336 D CB -0.032 40.920 40.800 0.253 0.000 1.183 336 D HN -0.610 7.740 8.370 0.246 0.168 0.458 337 G N 3.267 111.952 108.800 -0.193 0.000 2.470 337 G HA2 -0.499 nan 3.960 nan 0.000 0.286 337 G HA3 -0.499 nan 3.960 nan 0.000 0.286 337 G C -1.474 173.300 174.900 -0.209 0.000 1.115 337 G CA 0.220 45.279 45.100 -0.070 0.000 1.122 337 G HN 0.224 8.322 8.290 -0.320 0.000 0.522 338 L N -0.641 120.331 121.223 -0.418 0.000 2.596 338 L HA 0.147 nan 4.340 nan 0.000 0.265 338 L C -0.507 176.139 176.870 -0.374 0.000 0.962 338 L CA -0.694 53.840 54.840 -0.510 0.000 0.891 338 L CB 1.968 43.647 42.059 -0.633 0.000 1.248 338 L HN -0.775 7.183 8.230 -0.454 0.000 0.410 339 K N 0.825 121.068 120.400 -0.262 0.000 2.077 339 K HA -0.253 nan 4.320 nan 0.000 0.213 339 K C 0.265 176.761 176.600 -0.173 0.000 1.051 339 K CA 2.338 58.519 56.287 -0.177 0.000 0.929 339 K CB -0.030 32.390 32.500 -0.133 0.000 0.715 339 K HN 0.310 8.401 8.250 -0.264 0.000 0.451 340 E N -6.995 113.082 120.200 -0.205 0.000 2.458 340 E HA 0.663 nan 4.350 nan 0.000 0.278 340 E C -1.788 174.660 176.600 -0.253 0.000 1.004 340 E CA -1.709 54.574 56.400 -0.195 0.000 0.823 340 E CB 3.462 33.063 29.700 -0.164 0.000 1.396 340 E HN -0.792 7.431 8.360 -0.224 0.002 0.463 341 V N -0.973 118.783 119.914 -0.263 0.000 3.087 341 V HA 0.396 nan 4.120 nan 0.000 0.306 341 V C -2.250 173.560 176.094 -0.473 0.000 1.187 341 V CA -1.184 60.914 62.300 -0.336 0.000 0.999 341 V CB 4.006 35.751 31.823 -0.130 0.000 1.049 341 V HN 0.994 8.959 8.190 -0.193 0.110 0.431 342 K N 2.647 122.463 120.400 -0.973 0.000 2.352 342 K HA 1.001 nan 4.320 nan 0.000 0.240 342 K C -1.724 174.759 176.600 -0.195 0.000 1.017 342 K CA -1.778 54.057 56.287 -0.753 0.000 0.851 342 K CB 3.327 34.964 32.500 -1.439 0.000 1.261 342 K HN 0.053 7.306 8.250 -1.662 0.000 0.451 343 L N -5.350 115.900 121.223 0.046 0.000 2.472 343 L HA 0.602 nan 4.340 nan 0.000 0.260 343 L C -1.402 175.717 176.870 0.415 0.000 0.963 343 L CA -1.688 53.316 54.840 0.274 0.000 0.829 343 L CB 2.433 44.582 42.059 0.151 0.000 1.348 343 L HN -0.203 8.037 8.230 0.016 0.000 0.408 344 C N 2.792 122.341 119.300 0.416 0.000 2.514 344 C HA 0.516 nan 4.460 nan 0.000 0.392 344 C C 0.687 175.717 174.990 0.067 0.000 1.294 344 C CA -0.052 59.077 59.018 0.185 0.000 1.957 344 C CB 0.109 27.968 27.740 0.199 0.000 2.541 344 C HN 0.240 8.724 8.230 0.424 0.000 0.569 345 V N 1.930 121.838 119.914 -0.010 0.000 3.612 345 V HA 0.558 nan 4.120 nan 0.000 0.268 345 V C -1.822 174.215 176.094 -0.095 0.000 1.365 345 V CA -0.639 61.637 62.300 -0.039 0.000 1.044 345 V CB 1.601 33.415 31.823 -0.015 0.000 0.820 345 V HN 1.353 9.402 8.190 -0.045 0.114 0.444 346 A N -1.344 121.410 122.820 -0.110 0.000 2.586 346 A HA 0.618 nan 4.320 nan 0.000 0.290 346 A C -3.093 174.469 177.584 -0.038 0.000 1.086 346 A CA 0.183 52.142 52.037 -0.128 0.000 0.665 346 A CB 2.510 21.473 19.000 -0.062 0.000 1.279 346 A HN -0.756 7.340 8.150 -0.090 0.000 0.423 347 Y N -2.399 117.859 120.300 -0.069 0.000 2.393 347 Y HA 0.648 nan 4.550 nan 0.000 0.341 347 Y C -1.498 174.362 175.900 -0.067 0.000 0.988 347 Y CA -3.021 55.035 58.100 -0.074 0.000 1.078 347 Y CB 3.592 41.998 38.460 -0.091 0.000 1.203 347 Y HN 0.189 8.445 8.280 -0.040 0.000 0.453 348 R N 3.212 123.774 120.500 0.102 0.000 2.229 348 R HA 0.556 nan 4.340 nan 0.000 0.328 348 R C -0.906 175.407 176.300 0.020 0.000 1.009 348 R CA -1.068 55.055 56.100 0.039 0.000 0.864 348 R CB 1.492 31.801 30.300 0.016 0.000 1.085 348 R HN 1.095 9.306 8.270 0.089 0.113 0.453 349 M N 6.816 126.425 119.600 0.015 0.000 2.255 349 M HA 0.335 nan 4.480 nan 0.000 0.336 349 M C -0.627 175.672 176.300 -0.001 0.000 1.135 349 M CA -2.916 52.383 55.300 -0.002 0.000 1.145 349 M CB -1.435 31.163 32.600 -0.003 0.000 1.473 349 M HN 0.829 9.024 8.290 0.018 0.107 0.462 350 P HA -0.254 nan 4.420 nan 0.000 0.217 350 P C -0.944 176.358 177.300 0.004 0.000 1.151 350 P CA 2.430 65.531 63.100 0.002 0.000 0.849 350 P CB -0.441 31.261 31.700 0.004 0.000 0.787 351 D N -4.743 115.658 120.400 0.002 0.000 2.352 351 D HA -0.032 nan 4.640 nan 0.000 0.236 351 D C 1.162 177.464 176.300 0.002 0.000 1.148 351 D CA -1.047 52.955 54.000 0.003 0.000 0.844 351 D CB -0.987 39.815 40.800 0.002 0.000 0.933 351 D HN -0.437 7.919 8.370 0.001 0.014 0.507 352 G N 0.295 109.097 108.800 0.003 0.000 2.417 352 G HA2 -0.479 nan 3.960 nan 0.000 0.233 352 G HA3 -0.479 nan 3.960 nan 0.000 0.233 352 G C -0.089 174.813 174.900 0.003 0.000 1.103 352 G CA -0.126 44.976 45.100 0.003 0.000 0.647 352 G HN 0.261 8.376 8.290 0.003 0.178 0.512 353 R N 3.026 123.527 120.500 0.001 0.000 2.486 353 R HA -0.256 nan 4.340 nan 0.000 0.303 353 R C -1.378 174.923 176.300 0.003 0.000 0.958 353 R CA 0.846 56.945 56.100 -0.001 0.000 1.077 353 R CB 0.518 30.816 30.300 -0.003 0.000 0.921 353 R HN -0.412 7.980 8.270 0.000 -0.121 0.406 354 E N 6.073 126.273 120.200 -0.000 0.000 2.227 354 E HA 0.398 nan 4.350 nan 0.000 0.282 354 E C -1.810 174.784 176.600 -0.009 0.000 1.015 354 E CA -0.448 55.953 56.400 0.002 0.000 0.823 354 E CB 1.345 31.042 29.700 -0.005 0.000 1.081 354 E HN 0.069 8.427 8.360 -0.004 0.000 0.396 355 V N 6.046 125.955 119.914 -0.009 0.000 3.078 355 V HA 0.470 nan 4.120 nan 0.000 0.311 355 V C -1.258 174.778 176.094 -0.097 0.000 1.138 355 V CA -1.806 60.471 62.300 -0.039 0.000 1.007 355 V CB 4.235 36.043 31.823 -0.024 0.000 1.045 355 V HN 0.784 8.984 8.190 0.016 0.000 0.432 356 T N 0.791 115.281 114.554 -0.106 0.000 3.264 356 T HA 0.310 nan 4.350 nan 0.000 0.257 356 T C -1.339 173.264 174.700 -0.161 0.000 0.976 356 T CA -0.909 61.101 62.100 -0.149 0.000 0.908 356 T CB -0.677 68.128 68.868 -0.105 0.000 1.082 356 T HN 0.248 8.441 8.240 -0.079 0.000 0.567 357 T N -3.344 111.112 114.554 -0.162 0.000 3.172 357 T HA 0.104 nan 4.350 nan 0.000 0.320 357 T C 0.280 174.910 174.700 -0.117 0.000 1.085 357 T CA -0.938 61.087 62.100 -0.126 0.000 1.052 357 T CB 1.995 70.820 68.868 -0.072 0.000 1.107 357 T HN -0.754 7.332 8.240 -0.152 0.062 0.458 358 T N 0.436 114.926 114.554 -0.107 0.000 2.934 358 T HA 0.014 nan 4.350 nan 0.000 0.321 358 T C -0.280 174.276 174.700 -0.240 0.000 1.080 358 T CA -1.445 60.563 62.100 -0.152 0.000 1.132 358 T CB -0.491 68.405 68.868 0.046 0.000 1.039 358 T HN 0.331 8.522 8.240 -0.081 0.000 0.543 359 P HA 0.069 nan 4.420 nan 0.000 0.271 359 P C -1.010 176.228 177.300 -0.104 0.000 1.226 359 P CA -0.606 62.278 63.100 -0.361 0.000 0.765 359 P CB 0.429 31.811 31.700 -0.530 0.000 0.835 360 L N -1.515 119.718 121.223 0.018 0.000 2.774 360 L HA 0.039 nan 4.340 nan 0.000 0.279 360 L C 0.067 177.046 176.870 0.183 0.000 1.137 360 L CA -0.464 54.449 54.840 0.121 0.000 1.021 360 L CB -1.655 40.451 42.059 0.077 0.000 1.366 360 L HN -0.207 8.009 8.230 -0.023 0.000 0.471 361 A N 3.489 126.523 122.820 0.358 0.000 1.974 361 A HA -0.345 nan 4.320 nan 0.000 0.334 361 A C -0.564 177.166 177.584 0.242 0.000 0.961 361 A CA 1.474 53.745 52.037 0.390 0.000 1.475 361 A CB -0.931 18.282 19.000 0.355 0.000 0.658 361 A HN 0.326 8.723 8.150 0.412 0.000 0.271 362 A N 3.810 126.754 122.820 0.206 0.000 3.512 362 A HA 0.031 nan 4.320 nan 0.000 0.183 362 A C -0.208 177.440 177.584 0.106 0.000 1.313 362 A CA 0.090 52.209 52.037 0.137 0.000 1.279 362 A CB 0.865 19.926 19.000 0.102 0.000 0.987 362 A HN -0.026 8.265 8.150 0.235 0.000 0.455 363 D N 2.260 122.705 120.400 0.074 0.000 2.639 363 D HA 0.194 nan 4.640 nan 0.000 0.233 363 D C -0.848 175.469 176.300 0.028 0.000 1.161 363 D CA -1.099 52.927 54.000 0.043 0.000 1.003 363 D CB -1.124 39.688 40.800 0.019 0.000 1.034 363 D HN -0.351 8.062 8.370 0.071 0.000 0.514 364 D N 0.985 121.438 120.400 0.088 0.000 2.554 364 D HA -0.304 nan 4.640 nan 0.000 0.122 364 D C 0.202 176.556 176.300 0.091 0.000 0.976 364 D CA 1.820 55.909 54.000 0.149 0.000 0.531 364 D CB 0.603 41.499 40.800 0.161 0.000 0.941 364 D HN -0.565 7.804 8.370 0.104 0.063 0.391 365 W N -0.438 120.897 121.300 0.058 0.000 2.441 365 W HA -0.113 nan 4.660 nan 0.000 0.302 365 W C -0.279 176.231 176.519 -0.016 0.000 1.191 365 W CA 1.852 59.206 57.345 0.015 0.000 1.327 365 W CB 0.424 29.920 29.460 0.060 0.000 1.128 365 W HN 0.310 8.835 8.180 0.575 0.000 0.522 366 K N -0.040 120.518 120.400 0.262 0.000 2.163 366 K HA -0.195 nan 4.320 nan 0.000 0.267 366 K C 0.545 177.198 176.600 0.088 0.000 1.098 366 K CA 1.282 57.658 56.287 0.149 0.000 1.062 366 K CB -1.931 30.649 32.500 0.135 0.000 1.033 366 K HN -0.126 8.319 8.250 0.325 0.000 0.396 367 G N 1.598 110.430 108.800 0.052 0.000 3.465 367 G HA2 -0.198 nan 3.960 nan 0.000 0.219 367 G HA3 -0.198 nan 3.960 nan 0.000 0.219 367 G C -0.956 173.937 174.900 -0.012 0.000 0.984 367 G CA -0.166 44.948 45.100 0.023 0.000 0.864 367 G HN -0.189 8.132 8.290 0.053 0.000 0.485 368 V N 1.631 121.511 119.914 -0.056 0.000 2.673 368 V HA -0.177 nan 4.120 nan 0.000 0.303 368 V C 0.114 176.148 176.094 -0.099 0.000 1.046 368 V CA 1.629 63.842 62.300 -0.145 0.000 1.126 368 V CB 0.015 31.598 31.823 -0.399 0.000 0.934 368 V HN 0.018 8.070 8.190 -0.040 0.114 0.487 369 E N 6.768 126.929 120.200 -0.065 0.000 2.171 369 E HA 0.574 nan 4.350 nan 0.000 0.271 369 E C -2.180 174.404 176.600 -0.028 0.000 0.916 369 E CA -3.257 53.128 56.400 -0.025 0.000 0.774 369 E CB 2.371 32.071 29.700 0.000 0.000 1.128 369 E HN 0.049 8.377 8.360 -0.054 0.000 0.403 370 P HA 0.598 nan 4.420 nan 0.000 0.286 370 P C -1.347 175.764 177.300 -0.315 0.000 1.261 370 P CA -0.986 62.035 63.100 -0.133 0.000 0.821 370 P CB 1.061 32.640 31.700 -0.202 0.000 1.013 371 I N 2.627 123.028 120.570 -0.281 0.000 2.362 371 I HA 0.226 nan 4.170 nan 0.000 0.289 371 I C -1.340 174.605 176.117 -0.287 0.000 0.994 371 I CA -1.481 59.687 61.300 -0.220 0.000 1.158 371 I CB 0.822 38.778 38.000 -0.073 0.000 1.315 371 I HN 0.171 8.292 8.210 -0.149 0.000 0.451 372 Y N 5.424 125.730 120.300 0.011 0.000 2.602 372 Y HA 0.540 nan 4.550 nan 0.000 0.330 372 Y C -0.563 175.308 175.900 -0.048 0.000 1.114 372 Y CA -2.157 55.923 58.100 -0.032 0.000 1.182 372 Y CB 2.460 40.859 38.460 -0.100 0.000 1.305 372 Y HN 0.325 8.599 8.280 -0.009 0.000 0.502 373 E N 0.662 120.951 120.200 0.148 0.000 2.255 373 E HA 0.322 nan 4.350 nan 0.000 0.256 373 E C -1.411 175.176 176.600 -0.021 0.000 0.887 373 E CA -0.983 55.446 56.400 0.048 0.000 0.782 373 E CB 3.118 32.842 29.700 0.041 0.000 1.214 373 E HN 0.229 8.709 8.360 0.199 0.000 0.417 374 T N 6.413 120.930 114.554 -0.062 0.000 2.747 374 T HA 0.414 nan 4.350 nan 0.000 0.301 374 T C -0.378 174.281 174.700 -0.070 0.000 0.952 374 T CA 0.438 62.456 62.100 -0.136 0.000 0.983 374 T CB -0.550 68.220 68.868 -0.164 0.000 0.930 374 T HN 0.380 8.598 8.240 -0.036 0.000 0.494 375 M N 5.683 125.258 119.600 -0.041 0.000 2.508 375 M HA 0.624 nan 4.480 nan 0.000 0.327 375 M C -2.447 173.855 176.300 0.003 0.000 1.160 375 M CA -3.038 52.274 55.300 0.020 0.000 0.980 375 M CB 0.514 33.178 32.600 0.107 0.000 1.693 375 M HN 0.770 9.018 8.290 -0.069 0.000 0.452 376 P HA 0.016 nan 4.420 nan 0.000 0.270 376 P C -0.611 176.721 177.300 0.054 0.000 1.223 376 P CA 0.004 63.110 63.100 0.009 0.000 0.785 376 P CB 0.597 32.317 31.700 0.033 0.000 0.923 377 G N -1.961 106.827 108.800 -0.019 0.000 2.890 377 G HA2 0.480 nan 3.960 nan 0.000 0.189 377 G HA3 0.480 nan 3.960 nan 0.000 0.189 377 G C -2.177 172.824 174.900 0.168 0.000 1.342 377 G CA -0.922 44.131 45.100 -0.077 0.000 1.026 377 G HN -0.308 7.942 8.290 -0.066 0.000 0.579 378 W N -5.208 116.061 121.300 -0.053 0.000 2.992 378 W HA 0.537 nan 4.660 nan 0.000 0.342 378 W C -1.364 175.150 176.519 -0.008 0.000 1.176 378 W CA -2.159 55.172 57.345 -0.024 0.000 1.118 378 W CB 1.431 30.882 29.460 -0.016 0.000 1.457 378 W HN -0.424 7.168 8.180 -0.981 0.000 0.573 379 S N -1.290 114.519 115.700 0.182 0.000 2.931 379 S HA -0.055 nan 4.470 nan 0.000 0.251 379 S C -0.172 174.528 174.600 0.167 0.000 1.078 379 S CA 0.142 58.395 58.200 0.088 0.000 0.835 379 S CB 0.718 63.954 63.200 0.060 0.000 0.798 379 S HN -0.028 8.449 8.310 0.278 0.000 0.495 380 E N 3.313 123.634 120.200 0.201 0.000 2.606 380 E HA -0.095 nan 4.350 nan 0.000 0.248 380 E C -0.762 175.987 176.600 0.248 0.000 1.005 380 E CA 0.335 56.841 56.400 0.177 0.000 0.946 380 E CB -0.624 29.155 29.700 0.133 0.000 0.928 380 E HN -0.139 8.333 8.360 0.186 0.000 0.494 381 S N 1.607 117.424 115.700 0.196 0.000 2.558 381 S HA -0.120 nan 4.470 nan 0.000 0.288 381 S C 0.948 175.671 174.600 0.204 0.000 1.318 381 S CA 0.831 59.165 58.200 0.223 0.000 1.056 381 S CB 0.793 64.091 63.200 0.164 0.000 0.853 381 S HN -0.069 8.329 8.310 0.146 0.000 0.505 382 T N 3.832 118.525 114.554 0.231 0.000 3.085 382 T HA 0.220 nan 4.350 nan 0.000 0.264 382 T C -0.066 174.734 174.700 0.166 0.000 1.019 382 T CA -1.247 60.934 62.100 0.134 0.000 0.910 382 T CB 0.236 69.125 68.868 0.035 0.000 1.059 382 T HN 0.470 9.413 8.240 0.305 -0.520 0.542 383 F N 3.987 123.983 119.950 0.077 0.000 2.578 383 F HA -0.467 nan 4.527 nan 0.000 0.376 383 F C 0.638 176.464 175.800 0.044 0.000 1.085 383 F CA 1.997 60.034 58.000 0.063 0.000 1.260 383 F CB 0.235 39.273 39.000 0.062 0.000 1.095 383 F HN -0.723 7.747 8.300 0.376 0.055 0.573 384 G N 6.690 115.318 108.800 -0.287 0.000 2.184 384 G HA2 -0.354 nan 3.960 nan 0.000 0.264 384 G HA3 -0.354 nan 3.960 nan 0.000 0.264 384 G C -0.814 174.054 174.900 -0.053 0.000 0.975 384 G CA 0.151 45.156 45.100 -0.159 0.000 0.642 384 G HN 0.883 8.683 8.290 -0.619 0.118 0.536 385 V N 1.345 121.242 119.914 -0.028 0.000 2.584 385 V HA -0.272 nan 4.120 nan 0.000 0.303 385 V C 0.944 177.019 176.094 -0.031 0.000 1.035 385 V CA 0.942 63.234 62.300 -0.015 0.000 1.172 385 V CB -0.494 31.321 31.823 -0.015 0.000 0.896 385 V HN -0.682 7.433 8.190 -0.024 0.060 0.486 386 K N 4.243 124.632 120.400 -0.018 0.000 2.353 386 K HA 0.085 nan 4.320 nan 0.000 0.195 386 K C -1.392 175.200 176.600 -0.014 0.000 1.031 386 K CA 0.544 56.820 56.287 -0.018 0.000 1.079 386 K CB 0.906 33.400 32.500 -0.010 0.000 0.857 386 K HN 0.222 8.468 8.250 -0.007 0.000 0.535 387 D N -1.649 118.743 120.400 -0.013 0.000 2.671 387 D HA 0.153 nan 4.640 nan 0.000 0.232 387 D C 0.209 176.498 176.300 -0.017 0.000 1.114 387 D CA -1.635 52.358 54.000 -0.012 0.000 0.858 387 D CB 1.891 42.687 40.800 -0.006 0.000 1.544 387 D HN -0.613 7.749 8.370 -0.014 0.000 0.471 388 R N 3.418 123.908 120.500 -0.016 0.000 2.113 388 R HA -0.374 nan 4.340 nan 0.000 0.244 388 R C 1.734 178.019 176.300 -0.024 0.000 1.142 388 R CA 3.398 59.485 56.100 -0.020 0.000 0.953 388 R CB 0.055 30.347 30.300 -0.013 0.000 0.860 388 R HN 0.569 8.832 8.270 -0.012 0.000 0.438 389 S N -1.216 114.474 115.700 -0.017 0.000 2.383 389 S HA -0.213 nan 4.470 nan 0.000 0.229 389 S C 1.643 176.232 174.600 -0.019 0.000 1.030 389 S CA 2.673 60.864 58.200 -0.015 0.000 1.002 389 S CB -0.578 62.618 63.200 -0.008 0.000 0.829 389 S HN -0.296 8.268 8.310 -0.012 -0.261 0.467 390 G N 0.886 109.675 108.800 -0.018 0.000 2.990 390 G HA2 -0.130 nan 3.960 nan 0.000 0.206 390 G HA3 -0.130 nan 3.960 nan 0.000 0.206 390 G C -1.217 173.663 174.900 -0.034 0.000 1.169 390 G CA -0.046 45.045 45.100 -0.016 0.000 0.819 390 G HN -0.515 7.749 8.290 -0.016 0.016 0.517 391 L N 1.155 122.343 121.223 -0.058 0.000 2.309 391 L HA 0.414 nan 4.340 nan 0.000 0.282 391 L C -1.639 175.161 176.870 -0.116 0.000 1.036 391 L CA -3.393 51.380 54.840 -0.112 0.000 0.806 391 L CB 0.830 42.809 42.059 -0.134 0.000 1.220 391 L HN -0.567 7.534 8.230 -0.051 0.098 0.429 392 P HA 0.123 nan 4.420 nan 0.000 0.270 392 P C 0.120 177.360 177.300 -0.100 0.000 1.223 392 P CA -0.832 62.210 63.100 -0.096 0.000 0.785 392 P CB 1.040 32.706 31.700 -0.058 0.000 0.923 393 Q N 2.467 122.249 119.800 -0.030 0.000 2.291 393 Q HA -0.387 nan 4.340 nan 0.000 0.206 393 Q C 1.516 177.517 176.000 0.002 0.000 0.976 393 Q CA 3.765 59.561 55.803 -0.013 0.000 0.875 393 Q CB -0.475 28.270 28.738 0.012 0.000 0.927 393 Q HN 0.733 8.999 8.270 -0.006 0.000 0.450 394 A N -1.687 121.150 122.820 0.029 0.000 1.872 394 A HA -0.203 nan 4.320 nan 0.000 0.214 394 A C 1.288 178.868 177.584 -0.007 0.000 1.187 394 A CA 2.823 54.929 52.037 0.115 0.000 0.614 394 A CB -1.206 17.973 19.000 0.299 0.000 0.826 394 A HN 0.313 8.460 8.150 0.038 0.026 0.442 395 A N -1.400 121.181 122.820 -0.398 0.000 1.933 395 A HA -0.212 nan 4.320 nan 0.000 0.218 395 A C 2.211 179.645 177.584 -0.250 0.000 1.175 395 A CA 2.499 54.055 52.037 -0.803 0.000 0.628 395 A CB -0.960 17.269 19.000 -1.286 0.000 0.814 395 A HN -0.210 7.710 8.150 -0.384 0.000 0.444 396 L N -2.608 118.526 121.223 -0.148 0.000 2.056 396 L HA -0.482 nan 4.340 nan 0.000 0.207 396 L C 2.107 178.988 176.870 0.018 0.000 1.078 396 L CA 3.075 57.884 54.840 -0.052 0.000 0.749 396 L CB -0.556 41.476 42.059 -0.045 0.000 0.901 396 L HN 0.236 8.360 8.230 -0.176 0.000 0.433 397 N N -0.449 118.278 118.700 0.045 0.000 2.104 397 N HA -0.355 nan 4.740 nan 0.000 0.190 397 N C 2.263 177.850 175.510 0.128 0.000 1.024 397 N CA 3.007 56.105 53.050 0.081 0.000 0.853 397 N CB -0.561 37.987 38.487 0.102 0.000 1.008 397 N HN -0.201 8.195 8.380 0.026 0.000 0.424 398 Y N 1.396 121.708 120.300 0.019 0.000 2.097 398 Y HA -0.402 nan 4.550 nan 0.000 0.282 398 Y C 1.748 177.662 175.900 0.024 0.000 1.152 398 Y CA 3.913 62.044 58.100 0.053 0.000 1.136 398 Y CB 0.059 38.575 38.460 0.093 0.000 0.975 398 Y HN -0.503 7.938 8.280 0.268 0.000 0.498 399 I N -2.330 118.303 120.570 0.106 0.000 2.127 399 I HA -0.695 nan 4.170 nan 0.000 0.241 399 I C 1.544 177.644 176.117 -0.028 0.000 1.075 399 I CA 4.105 65.409 61.300 0.006 0.000 1.334 399 I CB -0.044 37.975 38.000 0.030 0.000 1.040 399 I HN -0.502 7.816 8.210 0.181 0.000 0.405 400 K N -1.458 118.941 120.400 -0.000 0.000 2.147 400 K HA -0.372 nan 4.320 nan 0.000 0.205 400 K C 2.233 178.822 176.600 -0.018 0.000 1.049 400 K CA 3.143 59.428 56.287 -0.003 0.000 0.936 400 K CB -0.697 31.807 32.500 0.008 0.000 0.722 400 K HN -0.198 8.064 8.250 0.020 0.000 0.446 401 R N -0.125 120.355 120.500 -0.034 0.000 2.090 401 R HA -0.169 nan 4.340 nan 0.000 0.228 401 R C 2.074 178.322 176.300 -0.086 0.000 1.110 401 R CA 2.056 58.126 56.100 -0.049 0.000 0.973 401 R CB -0.689 29.588 30.300 -0.037 0.000 0.869 401 R HN -0.469 7.688 8.270 -0.023 0.099 0.440 402 I N 0.272 120.751 120.570 -0.151 0.000 2.127 402 I HA -0.608 nan 4.170 nan 0.000 0.241 402 I C 2.169 178.251 176.117 -0.058 0.000 1.075 402 I CA 4.477 65.682 61.300 -0.158 0.000 1.334 402 I CB -0.337 37.511 38.000 -0.254 0.000 1.040 402 I HN 0.024 8.117 8.210 -0.196 0.000 0.405 403 E N -0.653 119.532 120.200 -0.025 0.000 2.114 403 E HA -0.478 nan 4.350 nan 0.000 0.199 403 E C 2.608 179.215 176.600 0.012 0.000 1.008 403 E CA 3.692 60.106 56.400 0.024 0.000 0.810 403 E CB -0.638 29.075 29.700 0.022 0.000 0.739 403 E HN -0.025 8.308 8.360 -0.045 0.000 0.456 404 E N -0.225 119.970 120.200 -0.007 0.000 2.016 404 E HA -0.257 nan 4.350 nan 0.000 0.190 404 E C 2.430 179.022 176.600 -0.013 0.000 0.985 404 E CA 2.497 58.891 56.400 -0.009 0.000 0.802 404 E CB -0.023 29.670 29.700 -0.012 0.000 0.762 404 E HN -0.508 7.759 8.360 -0.016 0.083 0.448 405 L N -1.103 120.107 121.223 -0.022 0.000 2.189 405 L HA -0.311 nan 4.340 nan 0.000 0.214 405 L C 2.273 179.132 176.870 -0.018 0.000 1.097 405 L CA 2.582 57.406 54.840 -0.026 0.000 0.764 405 L CB 0.232 42.269 42.059 -0.036 0.000 0.900 405 L HN -0.038 8.174 8.230 -0.030 0.000 0.436 406 T N -7.688 106.868 114.554 0.003 0.000 3.042 406 T HA 0.150 nan 4.350 nan 0.000 0.245 406 T C 1.504 176.218 174.700 0.023 0.000 1.029 406 T CA -0.077 62.044 62.100 0.034 0.000 1.120 406 T CB 1.296 70.242 68.868 0.129 0.000 0.917 406 T HN -0.225 7.994 8.240 0.004 0.022 0.467 407 G N 3.131 111.943 108.800 0.019 0.000 2.149 407 G HA2 -0.243 nan 3.960 nan 0.000 0.235 407 G HA3 -0.243 nan 3.960 nan 0.000 0.235 407 G C -0.824 174.068 174.900 -0.013 0.000 1.018 407 G CA 0.525 45.624 45.100 -0.002 0.000 0.728 407 G HN 0.294 8.462 8.290 0.025 0.136 0.508 408 V N 0.563 120.488 119.914 0.019 0.000 2.623 408 V HA 0.292 nan 4.120 nan 0.000 0.304 408 V C -2.422 173.699 176.094 0.044 0.000 1.054 408 V CA -2.957 59.323 62.300 -0.035 0.000 0.882 408 V CB 3.286 35.001 31.823 -0.181 0.000 1.002 408 V HN -0.690 7.544 8.190 0.073 0.000 0.424 409 P HA 0.087 nan 4.420 nan 0.000 0.271 409 P C -0.803 176.557 177.300 0.100 0.000 1.226 409 P CA -0.729 62.402 63.100 0.052 0.000 0.765 409 P CB 0.721 32.438 31.700 0.028 0.000 0.835 410 I N 5.243 125.892 120.570 0.133 0.000 2.460 410 I HA -0.297 nan 4.170 nan 0.000 0.297 410 I C -0.520 175.657 176.117 0.101 0.000 1.139 410 I CA 1.275 62.671 61.300 0.160 0.000 1.340 410 I CB -0.906 37.160 38.000 0.111 0.000 1.444 410 I HN -0.281 8.241 8.210 0.104 -0.250 0.557 411 D N 5.486 125.949 120.400 0.104 0.000 2.347 411 D HA 0.056 nan 4.640 nan 0.000 0.213 411 D C -0.716 175.610 176.300 0.042 0.000 0.985 411 D CA 1.648 55.691 54.000 0.071 0.000 0.879 411 D CB 1.090 41.950 40.800 0.100 0.000 0.919 411 D HN 0.062 8.510 8.370 0.130 0.000 0.526 412 I N -2.308 118.295 120.570 0.055 0.000 2.644 412 I HA 0.474 nan 4.170 nan 0.000 0.291 412 I C -2.364 173.777 176.117 0.041 0.000 1.180 412 I CA -0.402 60.917 61.300 0.032 0.000 1.040 412 I CB 4.217 42.232 38.000 0.024 0.000 1.255 412 I HN -0.720 7.492 8.210 0.084 0.048 0.422 413 I N 4.142 124.725 120.570 0.021 0.000 2.545 413 I HA 0.668 nan 4.170 nan 0.000 0.292 413 I C -1.813 174.304 176.117 -0.001 0.000 1.040 413 I CA -1.867 59.443 61.300 0.016 0.000 1.068 413 I CB 3.073 41.077 38.000 0.006 0.000 1.251 413 I HN 0.682 8.898 8.210 0.010 0.000 0.424 414 S N 3.684 119.383 115.700 -0.001 0.000 2.472 414 S HA 0.609 nan 4.470 nan 0.000 0.303 414 S C -0.552 174.025 174.600 -0.039 0.000 1.099 414 S CA -1.675 56.510 58.200 -0.025 0.000 1.077 414 S CB 2.155 65.345 63.200 -0.017 0.000 1.031 414 S HN 0.801 9.119 8.310 0.014 0.000 0.487 415 T N 2.743 117.237 114.554 -0.100 0.000 3.393 415 T HA 0.490 nan 4.350 nan 0.000 0.298 415 T C -1.494 172.961 174.700 -0.409 0.000 1.004 415 T CA -1.802 60.203 62.100 -0.158 0.000 0.956 415 T CB 0.176 68.967 68.868 -0.129 0.000 1.182 415 T HN 0.653 8.823 8.240 -0.116 0.000 0.497 416 G N 0.237 108.827 108.800 -0.350 0.000 2.368 416 G HA2 0.081 nan 3.960 nan 0.000 0.301 416 G HA3 0.081 nan 3.960 nan 0.000 0.301 416 G C -3.097 171.689 174.900 -0.190 0.000 1.640 416 G CA 0.557 45.349 45.100 -0.512 0.000 0.941 416 G HN -0.875 7.301 8.290 -0.190 0.000 0.695 417 P HA -0.152 nan 4.420 nan 0.000 0.217 417 P C -0.736 176.563 177.300 -0.000 0.000 1.150 417 P CA 0.947 64.050 63.100 0.005 0.000 0.832 417 P CB 0.465 32.206 31.700 0.067 0.000 0.787 418 D N -1.501 118.896 120.400 -0.003 0.000 2.346 418 D HA -0.142 nan 4.640 nan 0.000 0.236 418 D C 0.654 176.947 176.300 -0.013 0.000 1.259 418 D CA -0.151 53.853 54.000 0.007 0.000 0.898 418 D CB 1.486 42.295 40.800 0.015 0.000 1.178 418 D HN -0.458 8.071 8.370 -0.010 -0.165 0.457 419 R N -2.374 118.128 120.500 0.002 0.000 2.173 419 R HA -0.061 nan 4.340 nan 0.000 0.208 419 R C 1.688 177.982 176.300 -0.009 0.000 1.035 419 R CA 2.661 58.761 56.100 0.001 0.000 1.004 419 R CB 0.154 30.464 30.300 0.017 0.000 0.917 419 R HN 0.421 8.699 8.270 0.013 0.000 0.462 420 T N 0.851 115.399 114.554 -0.010 0.000 3.035 420 T HA -0.051 nan 4.350 nan 0.000 0.268 420 T C 1.088 175.768 174.700 -0.033 0.000 1.109 420 T CA 2.479 64.572 62.100 -0.013 0.000 1.119 420 T CB -0.780 68.086 68.868 -0.003 0.000 0.900 420 T HN -0.215 8.469 8.240 -0.005 -0.446 0.503 421 E N 2.456 122.619 120.200 -0.062 0.000 2.392 421 E HA 0.099 nan 4.350 nan 0.000 0.307 421 E C -1.893 174.652 176.600 -0.091 0.000 1.505 421 E CA -0.766 55.569 56.400 -0.108 0.000 1.716 421 E CB -1.548 28.026 29.700 -0.210 0.000 1.450 421 E HN -0.396 7.999 8.360 -0.059 -0.071 0.484 422 T N 0.019 114.542 114.554 -0.053 0.000 2.933 422 T HA 0.562 nan 4.350 nan 0.000 0.305 422 T C -1.303 173.383 174.700 -0.023 0.000 1.092 422 T CA -1.071 61.008 62.100 -0.035 0.000 1.008 422 T CB 2.475 71.330 68.868 -0.021 0.000 1.102 422 T HN -0.279 7.861 8.240 -0.042 0.075 0.469 423 M N 4.638 124.227 119.600 -0.018 0.000 2.078 423 M HA 0.349 nan 4.480 nan 0.000 0.320 423 M C -1.537 174.759 176.300 -0.006 0.000 0.969 423 M CA -0.842 54.450 55.300 -0.012 0.000 0.929 423 M CB 2.830 35.422 32.600 -0.013 0.000 1.504 423 M HN 0.599 8.878 8.290 -0.018 0.000 0.419 424 I N 4.808 125.374 120.570 -0.006 0.000 2.291 424 I HA 0.071 nan 4.170 nan 0.000 0.290 424 I C -0.402 175.711 176.117 -0.007 0.000 1.050 424 I CA 0.197 61.492 61.300 -0.008 0.000 1.245 424 I CB 0.040 38.034 38.000 -0.011 0.000 1.405 424 I HN 0.572 8.779 8.210 -0.006 0.000 0.478 425 L N 6.742 127.964 121.223 -0.003 0.000 2.354 425 L HA 0.073 nan 4.340 nan 0.000 0.212 425 L C 0.391 177.259 176.870 -0.004 0.000 1.091 425 L CA 1.689 56.530 54.840 0.001 0.000 0.828 425 L CB 0.520 42.585 42.059 0.011 0.000 0.973 425 L HN 0.982 9.104 8.230 0.001 0.108 0.461 426 R N -3.199 117.291 120.500 -0.017 0.000 2.551 426 R HA 0.094 nan 4.340 nan 0.000 0.202 426 R C -0.618 175.627 176.300 -0.092 0.000 0.861 426 R CA -0.200 55.878 56.100 -0.036 0.000 1.018 426 R CB 2.922 33.218 30.300 -0.008 0.000 1.435 426 R HN -0.492 7.767 8.270 -0.019 0.000 0.659 427 D N 0.109 120.432 120.400 -0.128 0.000 4.465 427 D HA -0.063 nan 4.640 nan 0.000 0.244 427 D C -1.725 174.361 176.300 -0.357 0.000 1.062 427 D CA 0.117 54.011 54.000 -0.177 0.000 1.227 427 D CB 0.151 40.902 40.800 -0.082 0.000 0.829 427 D HN -0.235 8.073 8.370 -0.103 0.000 0.402 428 P HA -0.259 nan 4.420 nan 0.000 0.216 428 P C 0.624 177.459 177.300 -0.775 0.000 1.157 428 P CA 1.808 64.180 63.100 -1.214 0.000 0.880 428 P CB 0.124 31.128 31.700 -1.160 0.000 0.791 429 F N -4.482 115.180 119.950 -0.479 0.000 2.051 429 F HA -0.243 nan 4.527 nan 0.000 0.296 429 F C 1.555 177.078 175.800 -0.461 0.000 1.122 429 F CA 2.677 60.338 58.000 -0.565 0.000 1.201 429 F CB -0.221 38.317 39.000 -0.771 0.000 0.978 429 F HN -0.710 7.419 8.300 -0.485 -0.120 0.472 430 D N -0.206 120.132 120.400 -0.104 0.000 3.060 430 D HA 0.011 nan 4.640 nan 0.000 0.245 430 D C -1.411 174.853 176.300 -0.060 0.000 1.274 430 D CA 0.168 54.138 54.000 -0.051 0.000 0.864 430 D CB -1.231 39.578 40.800 0.014 0.000 1.073 430 D HN -0.574 7.976 8.370 -0.071 -0.223 0.473 431 A N 0.000 122.763 122.820 -0.095 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 431 A CB 0.000 18.914 19.000 -0.143 0.000 0.831 431 A HN 0.000 8.067 8.150 -0.125 0.008 0.486