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 1gpf_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.709 174.700 0.015 0.000 1.109 3 T CA 0.000 62.114 62.100 0.024 0.000 1.349 3 T CB 0.000 68.885 68.868 0.029 0.000 0.612 4 R N 2.145 122.659 120.500 0.023 0.000 2.570 4 R HA 0.186 4.526 4.340 -0.000 0.000 0.277 4 R C -0.109 176.167 176.300 -0.039 0.000 1.039 4 R CA -0.221 55.885 56.100 0.010 0.000 1.065 4 R CB 0.400 30.723 30.300 0.037 0.000 0.964 4 R HN 0.278 nan 8.270 nan 0.000 0.428 5 K N 2.413 122.717 120.400 -0.160 0.000 2.270 5 K HA 0.156 4.476 4.320 -0.000 0.000 0.276 5 K C -0.276 176.199 176.600 -0.210 0.000 1.023 5 K CA -0.088 55.994 56.287 -0.342 0.000 0.955 5 K CB 1.415 33.303 32.500 -1.019 0.000 0.975 5 K HN 0.713 nan 8.250 nan 0.000 0.471 6 A N 1.976 124.678 122.820 -0.196 0.000 2.407 6 A HA 0.346 4.666 4.320 -0.000 0.000 0.248 6 A C -0.329 177.206 177.584 -0.082 0.000 1.082 6 A CA -0.441 51.507 52.037 -0.148 0.000 0.785 6 A CB 0.428 19.119 19.000 -0.516 0.000 1.020 6 A HN 0.355 nan 8.150 nan 0.000 0.489 7 V N 4.267 124.213 119.914 0.053 0.000 2.385 7 V HA 0.260 4.380 4.120 -0.000 0.000 0.277 7 V C -0.581 175.552 176.094 0.065 0.000 1.012 7 V CA 0.049 62.436 62.300 0.143 0.000 0.832 7 V CB 0.778 32.758 31.823 0.261 0.000 1.028 7 V HN 0.710 nan 8.190 nan 0.000 0.436 8 I N 4.239 124.748 120.570 -0.102 0.000 2.330 8 I HA 0.591 4.761 4.170 -0.000 0.000 0.286 8 I C 0.837 176.568 176.117 -0.643 0.000 1.025 8 I CA -0.176 60.958 61.300 -0.277 0.000 1.197 8 I CB 1.568 39.355 38.000 -0.356 0.000 1.358 8 I HN 0.640 nan 8.210 nan 0.000 0.467 9 G N 5.390 113.729 108.800 -0.768 0.000 2.416 9 G HA2 0.489 4.449 3.960 -0.000 0.000 0.324 9 G HA3 0.489 4.449 3.960 -0.000 0.000 0.324 9 G C -1.154 173.420 174.900 -0.544 0.000 1.194 9 G CA -0.326 43.973 45.100 -1.336 0.000 0.922 9 G HN 0.331 nan 8.290 nan 0.000 0.467 10 Y N 0.773 120.803 120.300 -0.450 0.000 2.346 10 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 10 Y C -0.191 175.625 175.900 -0.141 0.000 1.178 10 Y CA 0.269 58.248 58.100 -0.202 0.000 1.331 10 Y CB 1.241 39.616 38.460 -0.141 0.000 1.253 10 Y HN 0.531 nan 8.280 nan 0.000 0.529 11 Y N 5.833 126.109 120.300 -0.040 0.000 2.388 11 Y HA 0.362 4.912 4.550 -0.000 0.000 0.328 11 Y C -1.678 174.112 175.900 -0.183 0.000 0.963 11 Y CA -1.660 56.445 58.100 0.008 0.000 1.240 11 Y CB 0.207 38.759 38.460 0.153 0.000 1.118 11 Y HN 0.508 nan 8.280 nan 0.000 0.484 12 F N 8.021 127.434 119.950 -0.894 0.000 2.421 12 F HA 0.692 5.219 4.527 -0.000 0.000 0.337 12 F C -1.474 173.897 175.800 -0.716 0.000 1.105 12 F CA -1.321 56.180 58.000 -0.831 0.000 1.049 12 F CB 0.889 39.316 39.000 -0.954 0.000 1.139 12 F HN 0.454 nan 8.300 nan 0.000 0.479 13 I N 8.225 127.844 120.570 -1.585 0.000 2.534 13 I HA 0.414 4.584 4.170 -0.000 0.000 0.286 13 I C -2.704 172.854 176.117 -0.933 0.000 1.094 13 I CA -2.403 58.307 61.300 -0.982 0.000 1.055 13 I CB 2.055 39.920 38.000 -0.225 0.000 1.225 13 I HN 0.432 nan 8.210 nan 0.000 0.435 14 P HA 0.183 nan 4.420 nan 0.000 0.269 14 P C 0.521 177.803 177.300 -0.030 0.000 1.209 14 P CA -0.129 62.831 63.100 -0.234 0.000 0.776 14 P CB 0.682 32.355 31.700 -0.046 0.000 0.876 15 T N 1.263 115.867 114.554 0.084 0.000 2.737 15 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 15 T C 1.441 176.207 174.700 0.110 0.000 1.040 15 T CA 2.257 64.446 62.100 0.148 0.000 1.142 15 T CB -1.004 67.976 68.868 0.188 0.000 0.861 15 T HN 0.673 nan 8.240 nan 0.000 0.456 16 N N 1.177 119.926 118.700 0.081 0.000 2.244 16 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 16 N C 1.798 177.350 175.510 0.070 0.000 1.016 16 N CA 0.995 54.086 53.050 0.068 0.000 0.866 16 N CB -0.374 38.145 38.487 0.052 0.000 0.980 16 N HN 0.415 nan 8.380 nan 0.000 0.430 17 Q N -0.219 119.622 119.800 0.067 0.000 2.187 17 Q HA 0.133 4.473 4.340 -0.000 0.000 0.199 17 Q C 1.885 177.993 176.000 0.181 0.000 0.957 17 Q CA 0.734 56.592 55.803 0.090 0.000 0.857 17 Q CB 0.061 28.835 28.738 0.060 0.000 0.929 17 Q HN 0.512 nan 8.270 nan 0.000 0.453 18 I N 1.046 121.724 120.570 0.181 0.000 2.193 18 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 18 I C 1.509 177.723 176.117 0.161 0.000 1.084 18 I CA 0.715 62.144 61.300 0.215 0.000 1.365 18 I CB -0.213 37.905 38.000 0.195 0.000 1.064 18 I HN 0.164 nan 8.210 nan 0.000 0.410 19 N N 1.145 119.913 118.700 0.113 0.000 2.430 19 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 19 N C 0.672 176.231 175.510 0.081 0.000 1.032 19 N CA 0.984 54.081 53.050 0.079 0.000 0.893 19 N CB -0.312 38.214 38.487 0.066 0.000 0.957 19 N HN 0.409 nan 8.380 nan 0.000 0.442 20 N N -0.541 118.220 118.700 0.101 0.000 2.299 20 N HA -0.028 4.712 4.740 -0.000 0.000 0.246 20 N C -0.725 174.838 175.510 0.088 0.000 1.254 20 N CA -0.297 52.798 53.050 0.075 0.000 0.879 20 N CB 0.384 38.898 38.487 0.044 0.000 1.214 20 N HN 0.181 nan 8.380 nan 0.000 0.510 21 Y N 2.333 122.650 120.300 0.029 0.000 2.881 21 Y HA -0.107 4.443 4.550 -0.000 0.000 0.335 21 Y C 0.103 176.016 175.900 0.023 0.000 1.263 21 Y CA 0.949 59.070 58.100 0.035 0.000 1.572 21 Y CB 0.271 38.758 38.460 0.044 0.000 1.237 21 Y HN -0.089 nan 8.280 nan 0.000 0.568 22 T N 6.105 120.205 114.554 -0.756 0.000 2.923 22 T HA 0.235 4.585 4.350 -0.000 0.000 0.311 22 T C -0.253 174.053 174.700 -0.655 0.000 1.183 22 T CA -0.933 60.866 62.100 -0.501 0.000 1.020 22 T CB 1.587 70.311 68.868 -0.239 0.000 1.165 22 T HN 0.638 nan 8.240 nan 0.000 0.482 23 E N 0.673 120.664 120.200 -0.348 0.000 2.548 23 E HA 0.105 4.455 4.350 -0.000 0.000 0.206 23 E C 0.794 177.321 176.600 -0.121 0.000 1.005 23 E CA 0.018 56.286 56.400 -0.220 0.000 0.951 23 E CB 0.427 30.082 29.700 -0.075 0.000 1.035 23 E HN 0.761 nan 8.360 nan 0.000 0.470 24 T N -2.621 111.865 114.554 -0.114 0.000 3.170 24 T HA 0.176 4.526 4.350 -0.000 0.000 0.288 24 T C -0.063 174.601 174.700 -0.059 0.000 0.992 24 T CA -0.415 61.646 62.100 -0.066 0.000 0.909 24 T CB 0.316 69.156 68.868 -0.046 0.000 1.133 24 T HN -0.197 nan 8.240 nan 0.000 0.530 25 D N 1.849 122.203 120.400 -0.076 0.000 2.381 25 D HA 0.249 4.889 4.640 -0.000 0.000 0.245 25 D C 1.322 177.593 176.300 -0.048 0.000 1.297 25 D CA -0.047 53.921 54.000 -0.053 0.000 0.931 25 D CB 1.454 42.224 40.800 -0.050 0.000 1.334 25 D HN 0.179 nan 8.370 nan 0.000 0.535 26 T N -1.393 113.144 114.554 -0.027 0.000 2.918 26 T HA -0.216 4.134 4.350 -0.000 0.000 0.271 26 T C 1.741 176.438 174.700 -0.006 0.000 1.104 26 T CA 1.680 63.776 62.100 -0.007 0.000 1.114 26 T CB -0.122 68.754 68.868 0.012 0.000 0.855 26 T HN 0.208 nan 8.240 nan 0.000 0.518 27 S N 0.304 115.996 115.700 -0.014 0.000 2.402 27 S HA 0.004 4.474 4.470 -0.000 0.000 0.229 27 S C 2.015 176.607 174.600 -0.012 0.000 1.021 27 S CA 0.770 58.963 58.200 -0.011 0.000 0.974 27 S CB -0.617 62.575 63.200 -0.012 0.000 0.800 27 S HN 0.392 nan 8.310 nan 0.000 0.484 28 V N 0.596 120.497 119.914 -0.022 0.000 2.581 28 V HA 0.325 4.445 4.120 -0.000 0.000 0.240 28 V C 0.255 176.337 176.094 -0.021 0.000 1.054 28 V CA 0.716 63.003 62.300 -0.021 0.000 1.076 28 V CB 0.684 32.488 31.823 -0.032 0.000 0.748 28 V HN 0.416 nan 8.190 nan 0.000 0.474 29 V N 2.471 122.358 119.914 -0.045 0.000 2.327 29 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 29 V C -1.703 174.394 176.094 0.005 0.000 1.019 29 V CA -0.879 61.401 62.300 -0.034 0.000 0.814 29 V CB 0.998 32.732 31.823 -0.149 0.000 1.040 29 V HN 0.384 nan 8.190 nan 0.000 0.440 30 P HA -0.113 nan 4.420 nan 0.000 0.216 30 P C 0.232 177.656 177.300 0.206 0.000 1.150 30 P CA 1.254 64.416 63.100 0.104 0.000 0.837 30 P CB 0.197 31.960 31.700 0.105 0.000 0.786 31 F N 1.035 121.022 119.950 0.061 0.000 2.686 31 F HA 0.419 4.946 4.527 -0.000 0.000 0.365 31 F C -2.657 173.293 175.800 0.249 0.000 1.196 31 F CA -3.195 54.883 58.000 0.129 0.000 1.198 31 F CB 0.778 39.854 39.000 0.126 0.000 1.454 31 F HN -0.187 nan 8.300 nan 0.000 0.539 32 P HA 0.065 nan 4.420 nan 0.000 0.274 32 P C 0.997 178.252 177.300 -0.074 0.000 1.237 32 P CA -0.082 63.043 63.100 0.041 0.000 0.793 32 P CB 1.918 33.566 31.700 -0.087 0.000 0.977 33 V N 1.339 121.319 119.914 0.110 0.000 2.469 33 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 33 V C 2.660 178.691 176.094 -0.106 0.000 1.064 33 V CA 2.725 64.957 62.300 -0.114 0.000 1.066 33 V CB -1.809 29.928 31.823 -0.143 0.000 0.667 33 V HN 0.729 nan 8.190 nan 0.000 0.461 34 S N 0.415 116.090 115.700 -0.041 0.000 2.440 34 S HA -0.291 4.179 4.470 -0.000 0.000 0.240 34 S C 1.551 176.102 174.600 -0.081 0.000 1.014 34 S CA 2.015 60.192 58.200 -0.040 0.000 0.980 34 S CB -0.968 62.224 63.200 -0.014 0.000 0.775 34 S HN 0.784 nan 8.310 nan 0.000 0.499 35 N N 0.676 119.256 118.700 -0.200 0.000 2.494 35 N HA 0.185 4.925 4.740 -0.000 0.000 0.182 35 N C -0.272 175.227 175.510 -0.019 0.000 1.076 35 N CA 0.294 53.248 53.050 -0.160 0.000 0.908 35 N CB -0.088 38.196 38.487 -0.338 0.000 0.967 35 N HN 0.459 nan 8.380 nan 0.000 0.449 36 I N 2.332 122.887 120.570 -0.026 0.000 2.260 36 I HA 0.011 4.181 4.170 -0.000 0.000 0.297 36 I C 0.883 177.030 176.117 0.051 0.000 1.143 36 I CA -0.393 60.973 61.300 0.110 0.000 1.271 36 I CB 0.133 38.212 38.000 0.131 0.000 1.461 36 I HN 0.038 nan 8.210 nan 0.000 0.530 37 T N 2.885 117.463 114.554 0.041 0.000 2.726 37 T HA 0.215 4.565 4.350 -0.000 0.000 0.294 37 T C -1.693 172.946 174.700 -0.103 0.000 1.013 37 T CA -1.440 60.643 62.100 -0.029 0.000 0.996 37 T CB 0.894 69.751 68.868 -0.018 0.000 1.016 37 T HN 0.199 nan 8.240 nan 0.000 0.529 38 P HA -0.029 nan 4.420 nan 0.000 0.216 38 P C 1.636 178.826 177.300 -0.184 0.000 1.150 38 P CA 1.534 64.311 63.100 -0.539 0.000 0.837 38 P CB -0.327 30.917 31.700 -0.760 0.000 0.786 39 A N -0.099 122.661 122.820 -0.100 0.000 1.898 39 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 39 A C 2.036 179.633 177.584 0.021 0.000 1.181 39 A CA 1.668 53.690 52.037 -0.026 0.000 0.620 39 A CB -0.931 18.061 19.000 -0.014 0.000 0.819 39 A HN 0.164 nan 8.150 nan 0.000 0.442 40 K N -0.188 120.238 120.400 0.044 0.000 2.155 40 K HA 0.055 4.375 4.320 -0.000 0.000 0.203 40 K C 2.230 178.901 176.600 0.118 0.000 1.052 40 K CA 0.907 57.257 56.287 0.105 0.000 0.948 40 K CB -0.287 32.307 32.500 0.156 0.000 0.728 40 K HN 0.413 nan 8.250 nan 0.000 0.448 41 A N 2.069 124.943 122.820 0.089 0.000 1.933 41 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 41 A C 1.788 179.436 177.584 0.107 0.000 1.175 41 A CA 1.529 53.634 52.037 0.112 0.000 0.628 41 A CB -0.251 18.829 19.000 0.134 0.000 0.814 41 A HN 0.203 nan 8.150 nan 0.000 0.444 42 K N -0.629 119.821 120.400 0.085 0.000 2.296 42 K HA -0.033 4.287 4.320 -0.000 0.000 0.200 42 K C 1.920 178.572 176.600 0.087 0.000 1.048 42 K CA 1.051 57.387 56.287 0.081 0.000 0.966 42 K CB -0.037 32.501 32.500 0.063 0.000 0.754 42 K HN 0.587 nan 8.250 nan 0.000 0.466 43 Q N 0.222 120.080 119.800 0.097 0.000 2.432 43 Q HA 0.095 4.435 4.340 -0.000 0.000 0.205 43 Q C -0.029 176.064 176.000 0.156 0.000 0.945 43 Q CA 0.281 56.151 55.803 0.112 0.000 0.924 43 Q CB 0.256 29.053 28.738 0.098 0.000 1.016 43 Q HN 0.208 nan 8.270 nan 0.000 0.503 44 L N -0.253 121.065 121.223 0.159 0.000 2.360 44 L HA 0.214 4.554 4.340 -0.000 0.000 0.271 44 L C 1.221 178.165 176.870 0.124 0.000 1.057 44 L CA -0.193 54.749 54.840 0.170 0.000 0.803 44 L CB 1.476 43.637 42.059 0.170 0.000 1.207 44 L HN 0.056 nan 8.230 nan 0.000 0.445 45 T N -3.575 111.062 114.554 0.138 0.000 3.000 45 T HA 0.231 4.581 4.350 -0.000 0.000 0.248 45 T C 0.245 174.919 174.700 -0.042 0.000 1.034 45 T CA 0.118 62.266 62.100 0.079 0.000 1.060 45 T CB 0.068 69.044 68.868 0.180 0.000 0.983 45 T HN 0.529 nan 8.240 nan 0.000 0.482 46 H N -0.524 118.543 119.070 -0.005 0.000 2.930 46 H HA 0.690 5.246 4.556 -0.000 0.000 0.371 46 H C -1.364 173.927 175.328 -0.061 0.000 1.169 46 H CA -0.928 55.106 56.048 -0.024 0.000 1.157 46 H CB 1.679 31.400 29.762 -0.068 0.000 1.789 46 H HN 0.142 nan 8.280 nan 0.000 0.547 47 I N 2.211 122.843 120.570 0.104 0.000 2.418 47 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 47 I C -0.586 175.541 176.117 0.016 0.000 1.008 47 I CA -0.800 60.527 61.300 0.046 0.000 1.104 47 I CB 1.326 39.399 38.000 0.122 0.000 1.264 47 I HN 0.485 nan 8.210 nan 0.000 0.438 48 N N 6.417 125.010 118.700 -0.179 0.000 2.500 48 N HA 0.210 4.950 4.740 -0.000 0.000 0.236 48 N C -0.659 174.796 175.510 -0.092 0.000 1.022 48 N CA -0.263 52.618 53.050 -0.282 0.000 0.935 48 N CB 0.561 38.507 38.487 -0.902 0.000 1.147 48 N HN 0.377 nan 8.380 nan 0.000 0.512 49 F N 2.469 122.406 119.950 -0.023 0.000 2.495 49 F HA 0.286 4.813 4.527 -0.000 0.000 0.365 49 F C 0.387 176.176 175.800 -0.018 0.000 1.090 49 F CA -0.244 57.813 58.000 0.095 0.000 1.235 49 F CB 0.404 39.526 39.000 0.203 0.000 1.119 49 F HN 0.369 nan 8.300 nan 0.000 0.562 50 S N 5.053 120.251 115.700 -0.837 0.000 2.546 50 S HA 0.753 5.223 4.470 -0.000 0.000 0.274 50 S C -1.350 172.931 174.600 -0.531 0.000 1.121 50 S CA -0.829 56.959 58.200 -0.687 0.000 0.887 50 S CB 1.590 64.134 63.200 -1.095 0.000 1.094 50 S HN 0.486 nan 8.310 nan 0.000 0.474 51 F N 0.486 120.498 119.950 0.103 0.000 2.563 51 F HA 0.740 5.267 4.527 0.000 0.000 0.316 51 F C -0.388 175.550 175.800 0.230 0.000 1.076 51 F CA -0.884 57.260 58.000 0.241 0.000 0.921 51 F CB 1.602 40.842 39.000 0.399 0.000 1.209 51 F HN 0.511 nan 8.300 nan 0.000 0.462 52 L N 1.106 122.563 121.223 0.390 0.000 2.335 52 L HA 0.596 4.936 4.340 -0.000 0.000 0.268 52 L C -0.576 176.406 176.870 0.187 0.000 1.016 52 L CA -0.266 54.653 54.840 0.131 0.000 0.805 52 L CB 1.329 43.335 42.059 -0.088 0.000 1.311 52 L HN 0.587 nan 8.230 nan 0.000 0.456 53 D N -1.188 119.190 120.400 -0.037 0.000 2.732 53 D HA 0.539 5.179 4.640 -0.000 0.000 0.292 53 D C -1.459 174.730 176.300 -0.185 0.000 1.135 53 D CA -0.337 53.539 54.000 -0.208 0.000 1.071 53 D CB 1.526 41.884 40.800 -0.736 0.000 1.457 53 D HN 0.253 nan 8.370 nan 0.000 0.547 54 I N 2.330 122.678 120.570 -0.371 0.000 2.389 54 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 54 I C -0.120 175.790 176.117 -0.345 0.000 0.999 54 I CA -0.903 60.131 61.300 -0.443 0.000 1.129 54 I CB 1.286 38.686 38.000 -1.000 0.000 1.288 54 I HN 0.325 nan 8.210 nan 0.000 0.444 55 N N 3.434 122.014 118.700 -0.201 0.000 2.405 55 N HA 0.116 4.856 4.740 -0.000 0.000 0.269 55 N C 0.889 176.314 175.510 -0.140 0.000 1.249 55 N CA -0.584 52.379 53.050 -0.144 0.000 0.974 55 N CB 0.348 38.793 38.487 -0.070 0.000 1.204 55 N HN 0.518 nan 8.380 nan 0.000 0.565 56 S N -1.729 113.912 115.700 -0.098 0.000 2.469 56 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 56 S C 1.120 175.675 174.600 -0.074 0.000 0.998 56 S CA 0.845 58.992 58.200 -0.088 0.000 0.957 56 S CB -0.653 62.512 63.200 -0.059 0.000 0.764 56 S HN 0.684 nan 8.310 nan 0.000 0.514 57 N N 1.244 119.910 118.700 -0.057 0.000 2.461 57 N HA 0.190 4.930 4.740 -0.000 0.000 0.188 57 N C 0.297 175.782 175.510 -0.041 0.000 1.134 57 N CA 0.045 53.074 53.050 -0.036 0.000 0.878 57 N CB -0.697 37.781 38.487 -0.014 0.000 0.972 57 N HN 0.479 nan 8.380 nan 0.000 0.456 58 L N -0.599 120.573 121.223 -0.085 0.000 3.717 58 L HA -0.271 4.069 4.340 -0.000 0.000 0.411 58 L C -0.819 176.052 176.870 0.001 0.000 1.233 58 L CA 0.671 55.444 54.840 -0.112 0.000 0.917 58 L CB -1.827 40.171 42.059 -0.101 0.000 1.902 58 L HN 0.335 nan 8.230 nan 0.000 0.894 59 E N -0.731 119.487 120.200 0.029 0.000 2.336 59 E HA 0.394 4.744 4.350 -0.000 0.000 0.267 59 E C -0.345 176.336 176.600 0.135 0.000 0.906 59 E CA -0.793 55.692 56.400 0.142 0.000 0.781 59 E CB 2.677 32.421 29.700 0.073 0.000 1.261 59 E HN 0.274 nan 8.360 nan 0.000 0.436 60 C N 1.958 121.379 119.300 0.202 0.000 2.653 60 C HA 0.641 5.101 4.460 -0.000 0.000 0.421 60 C C 0.041 175.071 174.990 0.067 0.000 1.334 60 C CA 0.234 59.348 59.018 0.160 0.000 1.885 60 C CB -1.524 26.295 27.740 0.133 0.000 2.645 60 C HN 0.661 nan 8.230 nan 0.000 0.601 61 A N 4.884 127.717 122.820 0.023 0.000 2.601 61 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 61 A C -1.396 176.206 177.584 0.030 0.000 1.075 61 A CA -0.694 51.374 52.037 0.052 0.000 0.671 61 A CB 0.138 19.181 19.000 0.072 0.000 1.277 61 A HN 0.922 nan 8.150 nan 0.000 0.417 62 W N 0.629 121.926 121.300 -0.004 0.000 2.086 62 W HA 0.432 5.092 4.660 -0.000 0.000 0.355 62 W C 0.625 177.172 176.519 0.046 0.000 1.313 62 W CA 0.837 58.202 57.345 0.033 0.000 1.358 62 W CB 0.399 29.862 29.460 0.004 0.000 1.166 62 W HN 0.732 nan 8.180 nan 0.000 0.630 63 D N 1.242 121.872 120.400 0.384 0.000 2.455 63 D HA -0.002 4.638 4.640 -0.000 0.000 0.241 63 D C -1.442 174.994 176.300 0.226 0.000 1.138 63 D CA -1.261 52.907 54.000 0.281 0.000 0.877 63 D CB 1.202 42.224 40.800 0.370 0.000 1.187 63 D HN -0.062 nan 8.370 nan 0.000 0.451 64 P HA -0.073 nan 4.420 nan 0.000 0.219 64 P C 0.468 177.833 177.300 0.108 0.000 1.146 64 P CA 1.379 64.548 63.100 0.115 0.000 0.808 64 P CB 0.181 31.932 31.700 0.085 0.000 0.779 65 A N -1.766 121.131 122.820 0.128 0.000 2.275 65 A HA 0.108 4.428 4.320 -0.000 0.000 0.212 65 A C 0.836 178.480 177.584 0.100 0.000 1.201 65 A CA 0.368 52.469 52.037 0.105 0.000 0.843 65 A CB -0.980 18.087 19.000 0.112 0.000 0.873 65 A HN 0.101 nan 8.150 nan 0.000 0.492 66 T N 1.735 116.362 114.554 0.122 0.000 2.901 66 T HA 0.092 4.442 4.350 -0.000 0.000 0.301 66 T C 0.269 174.965 174.700 -0.006 0.000 1.012 66 T CA -0.341 61.810 62.100 0.085 0.000 1.135 66 T CB 0.471 69.419 68.868 0.133 0.000 0.936 66 T HN 0.379 nan 8.240 nan 0.000 0.539 67 N N 2.350 121.032 118.700 -0.029 0.000 2.415 67 N HA -0.001 4.739 4.740 -0.000 0.000 0.250 67 N C 0.735 176.158 175.510 -0.146 0.000 1.127 67 N CA -0.173 52.842 53.050 -0.058 0.000 0.945 67 N CB 0.850 39.321 38.487 -0.027 0.000 1.196 67 N HN 0.651 nan 8.380 nan 0.000 0.499 68 D N 3.596 123.891 120.400 -0.175 0.000 2.172 68 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 68 D C 1.597 177.766 176.300 -0.218 0.000 0.999 68 D CA 1.865 55.708 54.000 -0.263 0.000 0.856 68 D CB 0.314 41.012 40.800 -0.171 0.000 0.934 68 D HN 0.642 nan 8.370 nan 0.000 0.453 69 A N 0.037 122.771 122.820 -0.144 0.000 1.930 69 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 69 A C 2.121 179.630 177.584 -0.125 0.000 1.175 69 A CA 1.091 53.054 52.037 -0.122 0.000 0.627 69 A CB -0.297 18.653 19.000 -0.083 0.000 0.815 69 A HN 0.051 nan 8.150 nan 0.000 0.443 70 K N -0.103 120.231 120.400 -0.110 0.000 2.103 70 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 70 K C 2.270 178.775 176.600 -0.158 0.000 1.052 70 K CA 1.150 57.385 56.287 -0.087 0.000 0.945 70 K CB -0.639 31.850 32.500 -0.018 0.000 0.722 70 K HN 0.432 nan 8.250 nan 0.000 0.443 71 A N 1.685 124.357 122.820 -0.247 0.000 1.858 71 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 71 A C 2.233 179.627 177.584 -0.318 0.000 1.190 71 A CA 1.437 53.236 52.037 -0.398 0.000 0.617 71 A CB -0.460 17.924 19.000 -1.028 0.000 0.827 71 A HN 0.248 nan 8.150 nan 0.000 0.443 72 R N -0.686 119.668 120.500 -0.243 0.000 2.105 72 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 72 R C 1.988 178.182 176.300 -0.177 0.000 1.135 72 R CA 1.728 57.744 56.100 -0.140 0.000 0.967 72 R CB -0.457 29.752 30.300 -0.153 0.000 0.861 72 R HN 0.721 nan 8.270 nan 0.000 0.442 73 D N -0.130 120.161 120.400 -0.182 0.000 2.144 73 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 73 D C 1.675 177.822 176.300 -0.256 0.000 0.978 73 D CA 0.801 54.691 54.000 -0.183 0.000 0.833 73 D CB 0.256 40.970 40.800 -0.143 0.000 0.961 73 D HN -0.046 nan 8.370 nan 0.000 0.470 74 V N -0.233 119.489 119.914 -0.321 0.000 2.307 74 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 74 V C 2.574 178.497 176.094 -0.284 0.000 1.045 74 V CA 1.212 63.268 62.300 -0.406 0.000 1.024 74 V CB -0.341 31.285 31.823 -0.328 0.000 0.651 74 V HN 0.162 nan 8.190 nan 0.000 0.449 75 V N 0.872 120.616 119.914 -0.282 0.000 2.332 75 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 75 V C 2.322 178.259 176.094 -0.262 0.000 1.055 75 V CA 2.136 64.237 62.300 -0.332 0.000 1.038 75 V CB -0.931 30.630 31.823 -0.438 0.000 0.651 75 V HN 0.575 nan 8.190 nan 0.000 0.450 76 N N 0.336 118.901 118.700 -0.225 0.000 2.223 76 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 76 N C 1.928 177.352 175.510 -0.144 0.000 1.016 76 N CA 1.230 54.174 53.050 -0.178 0.000 0.863 76 N CB -0.358 38.037 38.487 -0.153 0.000 0.983 76 N HN 0.521 nan 8.380 nan 0.000 0.429 77 R N 0.315 120.721 120.500 -0.155 0.000 2.115 77 R HA 0.065 4.405 4.340 -0.000 0.000 0.230 77 R C 2.170 178.407 176.300 -0.106 0.000 1.111 77 R CA 0.601 56.630 56.100 -0.119 0.000 0.976 77 R CB -0.249 29.971 30.300 -0.135 0.000 0.870 77 R HN 0.206 nan 8.270 nan 0.000 0.445 78 L N 0.184 121.327 121.223 -0.134 0.000 2.044 78 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 78 L C 2.659 179.503 176.870 -0.044 0.000 1.075 78 L CA 1.708 56.492 54.840 -0.093 0.000 0.747 78 L CB -0.752 41.261 42.059 -0.077 0.000 0.903 78 L HN 0.339 nan 8.230 nan 0.000 0.435 79 T N -2.681 111.832 114.554 -0.068 0.000 2.962 79 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 79 T C 1.838 176.507 174.700 -0.052 0.000 1.088 79 T CA 0.817 62.887 62.100 -0.049 0.000 1.127 79 T CB -0.308 68.510 68.868 -0.084 0.000 0.883 79 T HN 0.299 nan 8.240 nan 0.000 0.493 80 A N 1.635 124.416 122.820 -0.065 0.000 2.015 80 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 80 A C 2.334 179.873 177.584 -0.075 0.000 1.163 80 A CA 0.924 52.917 52.037 -0.073 0.000 0.646 80 A CB -0.850 18.111 19.000 -0.065 0.000 0.806 80 A HN 0.575 nan 8.150 nan 0.000 0.448 81 L N -0.830 120.385 121.223 -0.014 0.000 2.265 81 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 81 L C 2.202 179.084 176.870 0.020 0.000 1.117 81 L CA 1.323 56.204 54.840 0.068 0.000 0.782 81 L CB -0.423 41.701 42.059 0.108 0.000 0.914 81 L HN 0.348 nan 8.230 nan 0.000 0.441 82 K N 0.283 120.671 120.400 -0.019 0.000 2.360 82 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 82 K C 2.160 178.718 176.600 -0.069 0.000 1.046 82 K CA 0.997 57.270 56.287 -0.022 0.000 0.940 82 K CB -0.208 32.279 32.500 -0.023 0.000 0.748 82 K HN 0.315 nan 8.250 nan 0.000 0.465 83 A N 0.949 123.667 122.820 -0.171 0.000 2.019 83 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 83 A C 1.446 178.888 177.584 -0.237 0.000 1.164 83 A CA 1.232 53.126 52.037 -0.239 0.000 0.644 83 A CB -0.427 18.361 19.000 -0.353 0.000 0.805 83 A HN 0.289 nan 8.150 nan 0.000 0.449 84 H N -1.552 117.521 119.070 0.005 0.000 2.544 84 H HA 0.081 4.637 4.556 -0.000 0.000 0.269 84 H C -0.091 175.246 175.328 0.015 0.000 0.970 84 H CA 1.015 57.071 56.048 0.012 0.000 1.219 84 H CB 0.200 29.973 29.762 0.018 0.000 1.421 84 H HN 0.541 nan 8.280 nan 0.000 0.555 85 N N 0.517 119.277 118.700 0.101 0.000 2.629 85 N HA 0.055 4.795 4.740 -0.000 0.000 0.277 85 N C -2.361 173.165 175.510 0.027 0.000 1.188 85 N CA -1.452 51.639 53.050 0.068 0.000 0.835 85 N CB 1.505 40.042 38.487 0.084 0.000 1.420 85 N HN -0.148 nan 8.380 nan 0.000 0.542 86 P HA -0.016 nan 4.420 nan 0.000 0.231 86 P C 0.411 177.703 177.300 -0.014 0.000 1.158 86 P CA 0.696 63.792 63.100 -0.006 0.000 0.763 86 P CB 0.500 32.196 31.700 -0.005 0.000 0.805 87 S N -0.882 114.814 115.700 -0.008 0.000 2.517 87 S HA 0.095 4.565 4.470 -0.000 0.000 0.214 87 S C 0.793 175.356 174.600 -0.062 0.000 0.991 87 S CA -0.449 57.736 58.200 -0.026 0.000 0.906 87 S CB -0.455 62.742 63.200 -0.005 0.000 0.789 87 S HN 0.083 nan 8.310 nan 0.000 0.513 88 L N 3.234 124.435 121.223 -0.036 0.000 2.490 88 L HA 0.209 4.549 4.340 -0.000 0.000 0.274 88 L C 0.003 176.831 176.870 -0.069 0.000 1.201 88 L CA 0.679 55.491 54.840 -0.047 0.000 0.869 88 L CB 0.248 42.316 42.059 0.014 0.000 1.123 88 L HN 0.026 nan 8.230 nan 0.000 0.484 89 R N 5.694 126.120 120.500 -0.122 0.000 2.534 89 R HA 0.516 4.856 4.340 -0.000 0.000 0.301 89 R C -1.153 175.189 176.300 0.071 0.000 0.961 89 R CA -0.944 55.130 56.100 -0.043 0.000 0.871 89 R CB 1.598 31.825 30.300 -0.122 0.000 1.170 89 R HN 0.471 nan 8.270 nan 0.000 0.446 90 I N 4.839 125.504 120.570 0.159 0.000 2.282 90 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 90 I C 0.360 176.696 176.117 0.365 0.000 1.090 90 I CA -0.235 61.217 61.300 0.253 0.000 1.231 90 I CB 0.414 38.583 38.000 0.281 0.000 1.434 90 I HN 0.512 nan 8.210 nan 0.000 0.487 91 M N 6.181 125.922 119.600 0.235 0.000 2.197 91 M HA 0.414 4.894 4.480 -0.000 0.000 0.305 91 M C -0.229 176.061 176.300 -0.017 0.000 1.162 91 M CA -0.380 54.997 55.300 0.129 0.000 1.099 91 M CB 0.947 33.565 32.600 0.029 0.000 1.430 91 M HN 0.386 nan 8.290 nan 0.000 0.481 92 F N -1.193 118.502 119.950 -0.424 0.000 2.540 92 F HA 0.727 5.254 4.527 -0.000 0.000 0.317 92 F C -0.727 174.932 175.800 -0.236 0.000 1.104 92 F CA -0.940 56.693 58.000 -0.612 0.000 0.913 92 F CB 1.043 39.144 39.000 -1.497 0.000 1.170 92 F HN 0.389 nan 8.300 nan 0.000 0.450 93 S N 4.288 119.941 115.700 -0.078 0.000 2.451 93 S HA 0.661 5.131 4.470 -0.000 0.000 0.301 93 S C -0.414 174.368 174.600 0.304 0.000 1.116 93 S CA -0.584 57.660 58.200 0.075 0.000 1.093 93 S CB 0.944 64.310 63.200 0.278 0.000 1.017 93 S HN 0.572 nan 8.310 nan 0.000 0.482 94 I N 2.965 123.689 120.570 0.258 0.000 2.354 94 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 94 I C 0.939 177.288 176.117 0.386 0.000 0.989 94 I CA -0.016 61.488 61.300 0.341 0.000 1.188 94 I CB 1.087 39.252 38.000 0.275 0.000 1.342 94 I HN 0.905 nan 8.210 nan 0.000 0.457 95 G N 4.145 113.162 108.800 0.362 0.000 2.541 95 G HA2 0.344 4.304 3.960 -0.000 0.000 0.208 95 G HA3 0.344 4.304 3.960 -0.000 0.000 0.208 95 G C -0.035 174.587 174.900 -0.462 0.000 1.191 95 G CA 0.013 45.158 45.100 0.076 0.000 1.217 95 G HN 1.563 nan 8.290 nan 0.000 0.566 96 G N -2.003 106.374 108.800 -0.704 0.000 2.663 96 G HA2 0.136 4.096 3.960 -0.000 0.000 0.686 96 G HA3 0.136 4.096 3.960 -0.000 0.000 0.686 96 G C 0.677 175.189 174.900 -0.646 0.000 1.246 96 G CA 0.451 44.836 45.100 -1.192 0.000 0.795 96 G HN 1.995 nan 8.290 nan 0.000 0.627 97 W N 1.077 121.984 121.300 -0.654 0.000 2.318 97 W HA -0.224 4.436 4.660 -0.000 0.000 0.313 97 W C 2.021 178.311 176.519 -0.381 0.000 1.221 97 W CA 2.683 59.734 57.345 -0.490 0.000 1.266 97 W CB -0.338 28.866 29.460 -0.427 0.000 1.150 97 W HN 0.739 nan 8.180 nan 0.000 0.496 98 Y N 0.494 120.550 120.300 -0.407 0.000 2.114 98 Y HA -0.343 4.207 4.550 -0.000 0.000 0.282 98 Y C 2.381 178.043 175.900 -0.397 0.000 1.165 98 Y CA 2.741 60.597 58.100 -0.406 0.000 1.148 98 Y CB -1.267 36.941 38.460 -0.419 0.000 0.972 98 Y HN -0.082 nan 8.280 nan 0.000 0.504 99 Y N -0.787 119.236 120.300 -0.461 0.000 2.243 99 Y HA -0.051 4.498 4.550 -0.000 0.000 0.293 99 Y C 2.867 178.404 175.900 -0.604 0.000 1.124 99 Y CA 1.183 58.995 58.100 -0.480 0.000 1.159 99 Y CB -0.947 37.383 38.460 -0.216 0.000 1.008 99 Y HN 0.279 nan 8.280 nan 0.000 0.527 100 S N -0.124 115.198 115.700 -0.630 0.000 2.524 100 S HA 0.061 4.531 4.470 -0.000 0.000 0.215 100 S C 0.445 174.648 174.600 -0.662 0.000 0.986 100 S CA -0.314 57.328 58.200 -0.931 0.000 0.911 100 S CB -1.175 61.251 63.200 -1.289 0.000 0.805 100 S HN 0.489 nan 8.310 nan 0.000 0.501 101 N N 1.720 119.879 118.700 -0.902 0.000 2.381 101 N HA 0.059 4.799 4.740 -0.000 0.000 0.241 101 N C 0.260 175.308 175.510 -0.769 0.000 1.279 101 N CA 0.111 52.507 53.050 -1.090 0.000 0.896 101 N CB 0.177 37.277 38.487 -2.311 0.000 1.118 101 N HN -0.162 nan 8.380 nan 0.000 0.438 102 D N 0.313 120.287 120.400 -0.710 0.000 2.170 102 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 102 D C 1.057 176.939 176.300 -0.696 0.000 1.004 102 D CA 1.552 55.011 54.000 -0.902 0.000 0.860 102 D CB -0.130 40.419 40.800 -0.419 0.000 0.931 102 D HN 0.565 nan 8.370 nan 0.000 0.448 103 L N -0.350 120.597 121.223 -0.461 0.000 2.818 103 L HA 0.328 4.668 4.340 -0.000 0.000 0.243 103 L C 1.270 177.955 176.870 -0.309 0.000 1.185 103 L CA -0.518 54.145 54.840 -0.295 0.000 0.988 103 L CB 0.482 42.437 42.059 -0.173 0.000 1.292 103 L HN -0.143 nan 8.230 nan 0.000 0.519 104 G N 0.133 108.674 108.800 -0.432 0.000 2.572 104 G HA2 0.296 4.256 3.960 -0.000 0.000 0.261 104 G HA3 0.296 4.256 3.960 -0.000 0.000 0.261 104 G C 1.238 175.942 174.900 -0.327 0.000 1.197 104 G CA 0.025 44.846 45.100 -0.466 0.000 0.870 104 G HN 0.004 nan 8.290 nan 0.000 0.548 105 V N -1.242 118.438 119.914 -0.390 0.000 2.469 105 V HA -0.104 4.016 4.120 -0.000 0.000 0.251 105 V C 1.775 177.792 176.094 -0.128 0.000 1.064 105 V CA 2.271 64.436 62.300 -0.226 0.000 1.066 105 V CB -0.505 31.188 31.823 -0.217 0.000 0.667 105 V HN 0.446 nan 8.190 nan 0.000 0.461 106 S N -1.254 114.375 115.700 -0.118 0.000 2.602 106 S HA 0.219 4.689 4.470 -0.000 0.000 0.240 106 S C 1.399 175.984 174.600 -0.025 0.000 0.992 106 S CA 0.089 58.251 58.200 -0.064 0.000 0.971 106 S CB -0.570 62.599 63.200 -0.052 0.000 0.855 106 S HN 0.794 nan 8.310 nan 0.000 0.481 107 H N 2.554 121.503 119.070 -0.201 0.000 2.321 107 H HA -0.188 4.368 4.556 -0.000 0.000 0.295 107 H C 2.176 177.406 175.328 -0.163 0.000 1.102 107 H CA 1.919 57.821 56.048 -0.244 0.000 1.266 107 H CB -0.125 29.489 29.762 -0.247 0.000 1.363 107 H HN 0.487 nan 8.280 nan 0.000 0.492 108 A N 0.890 123.605 122.820 -0.175 0.000 1.978 108 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 108 A C 2.244 179.662 177.584 -0.277 0.000 1.170 108 A CA 1.763 53.670 52.037 -0.216 0.000 0.636 108 A CB -0.769 18.173 19.000 -0.097 0.000 0.810 108 A HN 0.718 nan 8.150 nan 0.000 0.448 109 N N -1.707 116.833 118.700 -0.267 0.000 2.166 109 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 109 N C 1.516 176.666 175.510 -0.600 0.000 1.019 109 N CA 1.583 54.411 53.050 -0.370 0.000 0.856 109 N CB -0.327 37.933 38.487 -0.378 0.000 0.993 109 N HN 0.622 nan 8.380 nan 0.000 0.426 110 Y N 1.037 120.863 120.300 -0.789 0.000 2.163 110 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 110 Y C 2.480 177.804 175.900 -0.960 0.000 1.136 110 Y CA 0.523 57.915 58.100 -1.180 0.000 1.147 110 Y CB -0.755 36.432 38.460 -2.122 0.000 0.987 110 Y HN -0.153 nan 8.280 nan 0.000 0.509 111 V N 0.593 120.144 119.914 -0.606 0.000 2.287 111 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 111 V C 1.721 177.733 176.094 -0.137 0.000 1.053 111 V CA 2.428 64.608 62.300 -0.201 0.000 1.027 111 V CB -0.794 30.910 31.823 -0.197 0.000 0.646 111 V HN 0.500 nan 8.190 nan 0.000 0.447 112 N N 0.035 118.609 118.700 -0.209 0.000 2.171 112 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 112 N C 1.936 177.349 175.510 -0.161 0.000 1.021 112 N CA 1.042 54.002 53.050 -0.151 0.000 0.854 112 N CB -0.308 38.088 38.487 -0.152 0.000 0.994 112 N HN 0.468 nan 8.380 nan 0.000 0.426 113 A N 0.943 123.593 122.820 -0.283 0.000 1.978 113 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 113 A C 2.130 179.615 177.584 -0.165 0.000 1.170 113 A CA 1.616 53.471 52.037 -0.303 0.000 0.636 113 A CB -0.628 17.968 19.000 -0.673 0.000 0.810 113 A HN 0.281 nan 8.150 nan 0.000 0.448 114 V N -4.028 115.827 119.914 -0.099 0.000 3.596 114 V HA 0.185 4.305 4.120 -0.000 0.000 0.289 114 V C 1.499 177.632 176.094 0.065 0.000 1.336 114 V CA 0.716 63.045 62.300 0.047 0.000 1.137 114 V CB -0.314 31.626 31.823 0.195 0.000 0.966 114 V HN 0.364 nan 8.190 nan 0.000 0.428 115 K N 1.877 122.292 120.400 0.026 0.000 2.057 115 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 115 K C 1.153 177.773 176.600 0.034 0.000 1.049 115 K CA 1.903 58.209 56.287 0.031 0.000 0.931 115 K CB -0.116 32.389 32.500 0.007 0.000 0.714 115 K HN 0.794 nan 8.250 nan 0.000 0.440 116 T N -3.723 110.848 114.554 0.029 0.000 2.901 116 T HA 0.270 4.620 4.350 -0.000 0.000 0.293 116 T C -2.518 172.204 174.700 0.036 0.000 1.084 116 T CA -1.997 60.121 62.100 0.030 0.000 1.008 116 T CB 2.070 70.950 68.868 0.020 0.000 1.170 116 T HN -0.292 nan 8.240 nan 0.000 0.509 117 P HA -0.047 nan 4.420 nan 0.000 0.216 117 P C 1.600 178.920 177.300 0.033 0.000 1.153 117 P CA 1.775 64.894 63.100 0.032 0.000 0.858 117 P CB -0.221 31.494 31.700 0.025 0.000 0.789 118 A N -0.237 122.599 122.820 0.027 0.000 1.929 118 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 118 A C 2.358 179.962 177.584 0.034 0.000 1.176 118 A CA 2.064 54.116 52.037 0.025 0.000 0.628 118 A CB -1.545 17.465 19.000 0.017 0.000 0.816 118 A HN 0.327 nan 8.150 nan 0.000 0.444 119 S N 0.126 115.846 115.700 0.034 0.000 2.368 119 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 119 S C 2.027 176.681 174.600 0.089 0.000 1.029 119 S CA 1.118 59.342 58.200 0.039 0.000 0.988 119 S CB -0.479 62.727 63.200 0.010 0.000 0.838 119 S HN 0.611 nan 8.310 nan 0.000 0.462 120 R N 1.646 122.202 120.500 0.094 0.000 2.073 120 R HA 0.086 4.426 4.340 -0.000 0.000 0.234 120 R C 2.846 179.221 176.300 0.125 0.000 1.134 120 R CA 1.246 57.435 56.100 0.149 0.000 0.952 120 R CB -0.940 29.426 30.300 0.111 0.000 0.850 120 R HN 0.559 nan 8.270 nan 0.000 0.433 121 A N 1.859 124.719 122.820 0.068 0.000 1.892 121 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 121 A C 2.129 179.730 177.584 0.028 0.000 1.188 121 A CA 1.825 53.883 52.037 0.035 0.000 0.631 121 A CB -0.470 18.544 19.000 0.023 0.000 0.822 121 A HN 0.272 nan 8.150 nan 0.000 0.447 122 K N -1.744 118.686 120.400 0.050 0.000 2.097 122 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 122 K C 1.831 178.470 176.600 0.065 0.000 1.049 122 K CA 1.616 57.930 56.287 0.045 0.000 0.933 122 K CB -0.323 32.206 32.500 0.049 0.000 0.717 122 K HN 0.412 nan 8.250 nan 0.000 0.442 123 F N 1.399 121.332 119.950 -0.029 0.000 2.113 123 F HA -0.066 4.461 4.527 0.000 0.000 0.297 123 F C 1.999 177.789 175.800 -0.016 0.000 1.103 123 F CA 1.384 59.361 58.000 -0.038 0.000 1.248 123 F CB -0.820 38.146 39.000 -0.058 0.000 0.999 123 F HN 0.074 nan 8.300 nan 0.000 0.475 124 A N 0.116 122.749 122.820 -0.312 0.000 1.883 124 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 124 A C 2.161 179.582 177.584 -0.270 0.000 1.186 124 A CA 2.024 53.837 52.037 -0.373 0.000 0.624 124 A CB -1.210 17.709 19.000 -0.134 0.000 0.822 124 A HN 0.553 nan 8.150 nan 0.000 0.444 125 Q N 0.899 120.610 119.800 -0.148 0.000 2.096 125 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 125 Q C 2.185 178.125 176.000 -0.100 0.000 0.982 125 Q CA 2.795 58.541 55.803 -0.094 0.000 0.850 125 Q CB -0.556 28.153 28.738 -0.048 0.000 0.901 125 Q HN 0.761 nan 8.270 nan 0.000 0.422 126 S N -1.426 114.200 115.700 -0.122 0.000 2.383 126 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 126 S C 2.217 176.762 174.600 -0.091 0.000 1.026 126 S CA 1.059 59.212 58.200 -0.079 0.000 0.981 126 S CB -1.025 62.154 63.200 -0.035 0.000 0.818 126 S HN 0.541 nan 8.310 nan 0.000 0.472 127 C N 1.279 120.447 119.300 -0.221 0.000 2.432 127 C HA 0.028 4.488 4.460 -0.000 0.000 0.277 127 C C 2.809 177.837 174.990 0.064 0.000 1.249 127 C CA 0.740 59.719 59.018 -0.066 0.000 1.725 127 C CB -1.397 26.179 27.740 -0.273 0.000 2.028 127 C HN 0.547 nan 8.230 nan 0.000 0.477 128 V N 1.006 120.895 119.914 -0.041 0.000 2.427 128 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 128 V C 2.994 179.077 176.094 -0.019 0.000 1.051 128 V CA 2.458 64.737 62.300 -0.034 0.000 1.048 128 V CB -1.230 30.545 31.823 -0.080 0.000 0.666 128 V HN 0.627 nan 8.190 nan 0.000 0.456 129 R N 0.272 120.763 120.500 -0.015 0.000 2.081 129 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 129 R C 2.070 178.396 176.300 0.044 0.000 1.131 129 R CA 1.970 58.070 56.100 0.000 0.000 0.960 129 R CB -1.077 29.225 30.300 0.003 0.000 0.856 129 R HN 0.467 nan 8.270 nan 0.000 0.436 130 I N 0.709 121.317 120.570 0.063 0.000 2.179 130 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 130 I C 2.697 178.873 176.117 0.098 0.000 1.088 130 I CA 1.971 63.331 61.300 0.101 0.000 1.357 130 I CB -0.937 36.973 38.000 -0.151 0.000 1.051 130 I HN 0.469 nan 8.210 nan 0.000 0.409 131 M N 0.522 120.162 119.600 0.067 0.000 2.065 131 M HA -0.263 4.217 4.480 -0.000 0.000 0.259 131 M C 2.242 178.613 176.300 0.118 0.000 1.069 131 M CA 1.922 57.363 55.300 0.236 0.000 1.110 131 M CB -0.143 32.621 32.600 0.274 0.000 1.328 131 M HN 0.004 nan 8.290 nan 0.000 0.405 132 K N 0.250 120.654 120.400 0.007 0.000 2.057 132 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 132 K C 1.705 178.268 176.600 -0.062 0.000 1.050 132 K CA 1.560 57.822 56.287 -0.042 0.000 0.935 132 K CB -0.903 31.557 32.500 -0.066 0.000 0.715 132 K HN 0.441 nan 8.250 nan 0.000 0.439 133 D N -0.227 120.133 120.400 -0.066 0.000 2.117 133 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 133 D C 1.410 177.457 176.300 -0.421 0.000 0.987 133 D CA 1.217 55.077 54.000 -0.232 0.000 0.829 133 D CB 0.053 40.699 40.800 -0.257 0.000 0.961 133 D HN 0.210 nan 8.370 nan 0.000 0.460 134 Y N -1.153 119.048 120.300 -0.165 0.000 2.482 134 Y HA 0.321 4.871 4.550 -0.000 0.000 0.270 134 Y C 1.797 177.396 175.900 -0.501 0.000 1.152 134 Y CA 0.467 58.364 58.100 -0.338 0.000 1.292 134 Y CB 0.681 38.919 38.460 -0.369 0.000 1.070 134 Y HN 0.077 nan 8.280 nan 0.000 0.528 135 G N -0.525 108.135 108.800 -0.232 0.000 2.130 135 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 135 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 135 G C -0.143 174.676 174.900 -0.135 0.000 0.999 135 G CA -0.559 44.432 45.100 -0.182 0.000 0.686 135 G HN 0.109 nan 8.290 nan 0.000 0.515 136 F N 0.647 120.659 119.950 0.104 0.000 2.403 136 F HA 0.435 4.962 4.527 -0.000 0.000 0.320 136 F C 1.363 177.294 175.800 0.217 0.000 1.176 136 F CA -0.354 57.750 58.000 0.173 0.000 1.206 136 F CB 0.630 39.807 39.000 0.295 0.000 1.235 136 F HN -0.016 nan 8.300 nan 0.000 0.565 137 D N 0.255 120.943 120.400 0.480 0.000 2.369 137 D HA 0.296 4.936 4.640 -0.000 0.000 0.211 137 D C 0.664 177.221 176.300 0.429 0.000 1.077 137 D CA 0.441 54.700 54.000 0.433 0.000 0.842 137 D CB 0.712 41.672 40.800 0.267 0.000 0.947 137 D HN 0.624 nan 8.370 nan 0.000 0.509 138 G N -0.441 108.564 108.800 0.340 0.000 2.322 138 G HA2 0.344 4.304 3.960 -0.000 0.000 0.295 138 G HA3 0.344 4.304 3.960 -0.000 0.000 0.295 138 G C -1.847 173.042 174.900 -0.019 0.000 1.369 138 G CA -0.600 44.615 45.100 0.192 0.000 0.821 138 G HN -0.067 nan 8.290 nan 0.000 0.536 139 V N 0.545 120.355 119.914 -0.174 0.000 2.540 139 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 139 V C -0.970 174.926 176.094 -0.330 0.000 1.035 139 V CA -0.450 61.537 62.300 -0.523 0.000 0.873 139 V CB 1.768 33.361 31.823 -0.383 0.000 0.992 139 V HN 0.906 nan 8.190 nan 0.000 0.428 140 D N 4.029 124.194 120.400 -0.393 0.000 2.502 140 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 140 D C -1.037 175.238 176.300 -0.042 0.000 1.092 140 D CA -0.404 53.516 54.000 -0.134 0.000 0.839 140 D CB 1.277 42.020 40.800 -0.096 0.000 1.264 140 D HN 0.249 nan 8.370 nan 0.000 0.511 141 I N 3.249 123.872 120.570 0.089 0.000 2.354 141 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 141 I C -0.566 175.718 176.117 0.278 0.000 0.989 141 I CA -0.708 60.727 61.300 0.225 0.000 1.188 141 I CB 1.520 39.711 38.000 0.318 0.000 1.342 141 I HN 0.418 nan 8.210 nan 0.000 0.457 142 D N 5.960 126.527 120.400 0.279 0.000 2.863 142 D HA 0.067 4.707 4.640 -0.000 0.000 0.323 142 D C -0.433 175.895 176.300 0.046 0.000 1.286 142 D CA -0.161 53.949 54.000 0.183 0.000 0.921 142 D CB 0.311 41.254 40.800 0.238 0.000 1.024 142 D HN 0.358 nan 8.370 nan 0.000 0.505 143 W N 2.126 123.331 121.300 -0.159 0.000 2.335 143 W HA 0.270 4.930 4.660 -0.000 0.000 0.306 143 W C -0.369 175.767 176.519 -0.639 0.000 1.216 143 W CA -0.851 56.249 57.345 -0.408 0.000 1.237 143 W CB 0.411 29.714 29.460 -0.262 0.000 1.243 143 W HN 0.073 nan 8.180 nan 0.000 0.493 144 E N 6.907 126.847 120.200 -0.432 0.000 2.546 144 E HA 0.233 4.583 4.350 -0.000 0.000 0.227 144 E C -1.500 174.663 176.600 -0.729 0.000 1.009 144 E CA -0.317 55.254 56.400 -1.382 0.000 0.813 144 E CB 0.722 29.692 29.700 -1.217 0.000 1.269 144 E HN 0.311 nan 8.360 nan 0.000 0.432 145 Y N 0.448 120.605 120.300 -0.237 0.000 2.581 145 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 145 Y C -2.383 172.956 175.900 -0.935 0.000 1.108 145 Y CA -2.715 55.064 58.100 -0.536 0.000 1.033 145 Y CB 1.607 39.931 38.460 -0.228 0.000 1.318 145 Y HN 0.234 nan 8.280 nan 0.000 0.459 146 P HA 0.049 nan 4.420 nan 0.000 0.268 146 P C -1.142 175.868 177.300 -0.484 0.000 1.205 146 P CA 0.040 62.216 63.100 -1.539 0.000 0.771 146 P CB 1.055 31.566 31.700 -1.983 0.000 0.858 147 Q N 0.851 120.516 119.800 -0.226 0.000 2.193 147 Q HA 0.422 4.762 4.340 -0.000 0.000 0.246 147 Q C 1.641 177.617 176.000 -0.040 0.000 0.959 147 Q CA -0.718 55.056 55.803 -0.048 0.000 0.904 147 Q CB 1.011 29.772 28.738 0.038 0.000 1.238 147 Q HN 0.440 nan 8.270 nan 0.000 0.469 148 A N 1.238 124.054 122.820 -0.007 0.000 1.894 148 A HA -0.332 3.988 4.320 -0.000 0.000 0.220 148 A C 1.987 179.578 177.584 0.011 0.000 1.237 148 A CA 2.677 54.715 52.037 0.001 0.000 0.660 148 A CB -1.320 17.679 19.000 -0.002 0.000 0.835 148 A HN 0.848 nan 8.150 nan 0.000 0.461 149 A N -1.018 121.814 122.820 0.020 0.000 2.121 149 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 149 A C 1.712 179.322 177.584 0.043 0.000 1.154 149 A CA 1.541 53.597 52.037 0.032 0.000 0.679 149 A CB -0.402 18.620 19.000 0.037 0.000 0.795 149 A HN 0.704 nan 8.150 nan 0.000 0.458 150 E N -0.791 119.428 120.200 0.032 0.000 2.472 150 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 150 E C 1.516 178.138 176.600 0.037 0.000 1.033 150 E CA 0.210 56.644 56.400 0.056 0.000 0.886 150 E CB 0.199 29.942 29.700 0.072 0.000 0.944 150 E HN 0.351 nan 8.360 nan 0.000 0.492 151 V N 1.874 121.794 119.914 0.010 0.000 2.261 151 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 151 V C 1.617 177.792 176.094 0.134 0.000 1.047 151 V CA 2.051 64.387 62.300 0.060 0.000 1.015 151 V CB -0.346 31.512 31.823 0.059 0.000 0.642 151 V HN 0.229 nan 8.190 nan 0.000 0.446 152 D N 0.613 121.069 120.400 0.094 0.000 2.158 152 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 152 D C 2.147 178.509 176.300 0.102 0.000 0.995 152 D CA 1.668 55.719 54.000 0.085 0.000 0.846 152 D CB -0.546 40.291 40.800 0.062 0.000 0.941 152 D HN 0.494 nan 8.370 nan 0.000 0.456 153 G N -0.285 108.592 108.800 0.128 0.000 2.394 153 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 153 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 153 G C 1.466 176.487 174.900 0.203 0.000 1.165 153 G CA 0.177 45.364 45.100 0.144 0.000 0.784 153 G HN 0.233 nan 8.290 nan 0.000 0.535 154 F N 1.597 121.589 119.950 0.070 0.000 2.095 154 F HA -0.027 4.500 4.527 0.000 0.000 0.298 154 F C 2.448 178.281 175.800 0.054 0.000 1.104 154 F CA 1.133 59.182 58.000 0.081 0.000 1.232 154 F CB -0.324 38.648 39.000 -0.045 0.000 0.987 154 F HN 0.095 nan 8.300 nan 0.000 0.475 155 I N 0.306 120.899 120.570 0.040 0.000 2.163 155 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 155 I C 2.669 178.746 176.117 -0.066 0.000 1.085 155 I CA 1.455 62.708 61.300 -0.079 0.000 1.347 155 I CB -0.943 37.068 38.000 0.017 0.000 1.044 155 I HN 0.257 nan 8.210 nan 0.000 0.408 156 A N 0.451 123.275 122.820 0.006 0.000 1.972 156 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 156 A C 2.495 180.088 177.584 0.014 0.000 1.169 156 A CA 1.751 53.797 52.037 0.015 0.000 0.635 156 A CB -0.708 18.316 19.000 0.041 0.000 0.810 156 A HN 0.456 nan 8.150 nan 0.000 0.446 157 A N -0.149 122.691 122.820 0.033 0.000 1.898 157 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 157 A C 2.130 179.715 177.584 0.001 0.000 1.181 157 A CA 1.334 53.421 52.037 0.083 0.000 0.620 157 A CB -0.567 18.559 19.000 0.210 0.000 0.819 157 A HN 0.459 nan 8.150 nan 0.000 0.442 158 L N -0.766 120.381 121.223 -0.127 0.000 2.046 158 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 158 L C 2.886 179.700 176.870 -0.094 0.000 1.077 158 L CA 1.669 56.411 54.840 -0.163 0.000 0.747 158 L CB -0.678 41.196 42.059 -0.308 0.000 0.896 158 L HN 0.486 nan 8.230 nan 0.000 0.432 159 Q N -0.410 119.346 119.800 -0.073 0.000 2.084 159 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 159 Q C 2.162 178.144 176.000 -0.029 0.000 0.978 159 Q CA 1.572 57.349 55.803 -0.043 0.000 0.844 159 Q CB -0.089 28.632 28.738 -0.028 0.000 0.898 159 Q HN 0.296 nan 8.270 nan 0.000 0.426 160 E N 0.987 121.175 120.200 -0.020 0.000 2.058 160 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 160 E C 1.682 178.262 176.600 -0.034 0.000 0.997 160 E CA 1.199 57.590 56.400 -0.015 0.000 0.801 160 E CB -0.195 29.507 29.700 0.004 0.000 0.746 160 E HN 0.339 nan 8.360 nan 0.000 0.450 161 I N 0.133 120.672 120.570 -0.051 0.000 2.226 161 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 161 I C 2.478 178.567 176.117 -0.047 0.000 1.100 161 I CA 1.214 62.470 61.300 -0.073 0.000 1.374 161 I CB -0.276 37.665 38.000 -0.097 0.000 1.057 161 I HN 0.066 nan 8.210 nan 0.000 0.413 162 R N 1.100 121.576 120.500 -0.039 0.000 2.091 162 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 162 R C 2.117 178.411 176.300 -0.010 0.000 1.136 162 R CA 2.337 58.423 56.100 -0.023 0.000 0.959 162 R CB -1.242 29.040 30.300 -0.029 0.000 0.856 162 R HN 0.222 nan 8.270 nan 0.000 0.437 163 T N 1.304 115.850 114.554 -0.014 0.000 2.708 163 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 163 T C 1.737 176.436 174.700 -0.002 0.000 1.037 163 T CA 1.679 63.775 62.100 -0.006 0.000 1.146 163 T CB -0.211 68.653 68.868 -0.007 0.000 0.865 163 T HN 0.164 nan 8.240 nan 0.000 0.435 164 L N 0.334 121.549 121.223 -0.013 0.000 2.083 164 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 164 L C 2.467 179.336 176.870 -0.002 0.000 1.083 164 L CA 0.996 55.826 54.840 -0.016 0.000 0.752 164 L CB -0.579 41.457 42.059 -0.040 0.000 0.899 164 L HN 0.261 nan 8.230 nan 0.000 0.433 165 L N -0.478 120.748 121.223 0.006 0.000 2.072 165 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 165 L C 2.286 179.230 176.870 0.123 0.000 1.079 165 L CA 0.899 55.772 54.840 0.054 0.000 0.752 165 L CB -0.534 41.563 42.059 0.064 0.000 0.906 165 L HN 0.316 nan 8.230 nan 0.000 0.436 166 N N -0.033 118.711 118.700 0.073 0.000 2.166 166 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 166 N C 1.867 177.418 175.510 0.068 0.000 1.019 166 N CA 1.103 54.193 53.050 0.066 0.000 0.856 166 N CB -0.151 38.355 38.487 0.032 0.000 0.993 166 N HN 0.368 nan 8.380 nan 0.000 0.426 167 Q N -0.056 119.776 119.800 0.053 0.000 2.079 167 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 167 Q C 1.911 177.957 176.000 0.076 0.000 0.974 167 Q CA 1.182 57.013 55.803 0.046 0.000 0.840 167 Q CB -0.056 28.698 28.738 0.026 0.000 0.898 167 Q HN 0.271 nan 8.270 nan 0.000 0.430 168 Q N -0.136 119.727 119.800 0.105 0.000 2.119 168 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 168 Q C 1.849 178.038 176.000 0.315 0.000 0.972 168 Q CA 1.778 57.679 55.803 0.163 0.000 0.847 168 Q CB -0.201 28.574 28.738 0.062 0.000 0.903 168 Q HN 0.263 nan 8.270 nan 0.000 0.433 169 T N 0.743 115.495 114.554 0.329 0.000 2.720 169 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 169 T C 1.442 176.169 174.700 0.046 0.000 1.037 169 T CA 1.277 63.454 62.100 0.128 0.000 1.144 169 T CB -0.123 68.769 68.868 0.040 0.000 0.864 169 T HN 0.199 nan 8.240 nan 0.000 0.444 170 I N 1.447 122.051 120.570 0.057 0.000 2.286 170 I HA -0.070 4.100 4.170 -0.000 0.000 0.245 170 I C 2.594 178.731 176.117 0.034 0.000 1.104 170 I CA 1.366 62.683 61.300 0.028 0.000 1.397 170 I CB -1.831 36.184 38.000 0.024 0.000 1.072 170 I HN 0.226 nan 8.210 nan 0.000 0.417 171 T N 0.806 115.394 114.554 0.056 0.000 2.881 171 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 171 T C 1.096 175.831 174.700 0.058 0.000 1.068 171 T CA 1.242 63.373 62.100 0.051 0.000 1.131 171 T CB -0.127 68.775 68.868 0.056 0.000 0.871 171 T HN 0.255 nan 8.240 nan 0.000 0.479 172 D N -0.089 120.362 120.400 0.084 0.000 2.369 172 D HA 0.273 4.913 4.640 -0.000 0.000 0.211 172 D C 1.384 177.689 176.300 0.009 0.000 1.077 172 D CA 0.264 54.308 54.000 0.074 0.000 0.842 172 D CB 0.020 40.925 40.800 0.175 0.000 0.947 172 D HN 0.381 nan 8.370 nan 0.000 0.509 173 G N 1.853 110.649 108.800 -0.007 0.000 2.221 173 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.265 173 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.265 173 G C 0.761 175.620 174.900 -0.069 0.000 1.041 173 G CA -0.240 44.842 45.100 -0.030 0.000 0.807 173 G HN 0.185 nan 8.290 nan 0.000 0.502 174 R N -0.585 119.844 120.500 -0.118 0.000 2.721 174 R HA 0.179 4.519 4.340 -0.000 0.000 0.296 174 R C 1.955 178.161 176.300 -0.157 0.000 1.174 174 R CA 0.125 56.105 56.100 -0.200 0.000 1.129 174 R CB 0.131 30.158 30.300 -0.455 0.000 1.316 174 R HN 0.575 nan 8.270 nan 0.000 0.571 175 Q N 0.346 120.090 119.800 -0.093 0.000 2.197 175 Q HA -0.118 4.222 4.340 -0.000 0.000 0.207 175 Q C 2.006 177.967 176.000 -0.065 0.000 0.984 175 Q CA 2.168 57.931 55.803 -0.066 0.000 0.869 175 Q CB -0.156 28.556 28.738 -0.042 0.000 0.906 175 Q HN 0.354 nan 8.270 nan 0.000 0.426 176 A N -0.568 122.211 122.820 -0.067 0.000 2.014 176 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 176 A C 0.867 178.413 177.584 -0.064 0.000 1.163 176 A CA 0.719 52.723 52.037 -0.055 0.000 0.652 176 A CB 0.211 19.182 19.000 -0.048 0.000 0.808 176 A HN 0.290 nan 8.150 nan 0.000 0.449 177 L N 0.108 121.272 121.223 -0.099 0.000 2.448 177 L HA 0.398 4.738 4.340 -0.000 0.000 0.257 177 L C -2.934 173.832 176.870 -0.174 0.000 1.504 177 L CA -1.925 52.852 54.840 -0.105 0.000 0.852 177 L CB 1.549 43.548 42.059 -0.100 0.000 1.051 177 L HN -0.121 nan 8.230 nan 0.000 0.518 178 P HA 0.053 nan 4.420 nan 0.000 0.268 178 P C -0.991 176.237 177.300 -0.120 0.000 1.208 178 P CA 0.210 63.212 63.100 -0.165 0.000 0.777 178 P CB 0.201 31.864 31.700 -0.062 0.000 0.875 179 Y N 0.642 120.961 120.300 0.030 0.000 2.497 179 Y HA 0.126 4.676 4.550 -0.000 0.000 0.334 179 Y C 1.362 177.285 175.900 0.039 0.000 1.199 179 Y CA 0.829 58.957 58.100 0.047 0.000 1.425 179 Y CB 0.082 38.572 38.460 0.049 0.000 1.291 179 Y HN 0.324 nan 8.280 nan 0.000 0.562 180 Q N 1.649 121.588 119.800 0.233 0.000 2.416 180 Q HA 0.679 5.019 4.340 -0.000 0.000 0.279 180 Q C -1.723 174.328 176.000 0.085 0.000 1.101 180 Q CA -1.383 54.503 55.803 0.138 0.000 0.830 180 Q CB 2.845 31.689 28.738 0.176 0.000 1.402 180 Q HN 0.515 nan 8.270 nan 0.000 0.445 181 L N 0.755 122.001 121.223 0.039 0.000 2.409 181 L HA 0.634 4.974 4.340 -0.000 0.000 0.272 181 L C -1.177 175.699 176.870 0.010 0.000 0.980 181 L CA 0.085 54.923 54.840 -0.003 0.000 0.826 181 L CB 2.161 44.204 42.059 -0.027 0.000 1.268 181 L HN 0.825 nan 8.230 nan 0.000 0.407 182 T N 2.812 117.375 114.554 0.014 0.000 2.864 182 T HA 0.821 5.171 4.350 -0.000 0.000 0.299 182 T C -0.405 174.332 174.700 0.062 0.000 1.166 182 T CA -0.632 61.502 62.100 0.056 0.000 1.007 182 T CB 1.561 70.478 68.868 0.081 0.000 1.219 182 T HN 0.835 nan 8.240 nan 0.000 0.506 183 I N -1.666 118.968 120.570 0.106 0.000 2.934 183 I HA 0.904 5.074 4.170 -0.000 0.000 0.306 183 I C -0.685 175.539 176.117 0.179 0.000 1.110 183 I CA -1.886 59.509 61.300 0.157 0.000 1.019 183 I CB 1.942 40.062 38.000 0.201 0.000 1.227 183 I HN 0.925 nan 8.210 nan 0.000 0.434 184 A N 2.708 125.657 122.820 0.215 0.000 2.260 184 A HA 0.791 5.111 4.320 -0.000 0.000 0.308 184 A C 0.142 177.859 177.584 0.221 0.000 1.254 184 A CA -0.102 52.069 52.037 0.224 0.000 0.874 184 A CB 0.260 19.414 19.000 0.256 0.000 1.153 184 A HN 1.085 nan 8.150 nan 0.000 0.527 185 G N 0.645 109.584 108.800 0.231 0.000 2.471 185 G HA2 0.637 4.597 3.960 -0.000 0.000 0.332 185 G HA3 0.637 4.597 3.960 -0.000 0.000 0.332 185 G C 0.219 175.338 174.900 0.364 0.000 1.176 185 G CA -0.103 45.200 45.100 0.338 0.000 0.949 185 G HN 1.383 nan 8.290 nan 0.000 0.488 186 A N -0.805 122.279 122.820 0.439 0.000 2.531 186 A HA 0.505 4.825 4.320 -0.000 0.000 0.236 186 A C 1.297 178.957 177.584 0.127 0.000 1.062 186 A CA 0.606 52.732 52.037 0.148 0.000 0.760 186 A CB 0.388 19.258 19.000 -0.216 0.000 0.995 186 A HN 1.505 nan 8.150 nan 0.000 0.501 187 G N 1.011 109.840 108.800 0.048 0.000 3.453 187 G HA2 0.485 4.445 3.960 -0.000 0.000 0.263 187 G HA3 0.485 4.445 3.960 -0.000 0.000 0.263 187 G C 0.364 175.274 174.900 0.016 0.000 1.060 187 G CA 0.576 45.680 45.100 0.006 0.000 0.793 187 G HN 1.297 nan 8.290 nan 0.000 0.532 188 G N -1.500 107.311 108.800 0.019 0.000 2.667 188 G HA2 0.545 4.505 3.960 -0.000 0.000 0.298 188 G HA3 0.545 4.505 3.960 -0.000 0.000 0.298 188 G C 0.689 175.526 174.900 -0.105 0.000 1.377 188 G CA 0.324 45.423 45.100 -0.001 0.000 0.964 188 G HN 0.330 nan 8.290 nan 0.000 0.493 189 A N 1.009 123.712 122.820 -0.195 0.000 1.940 189 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 189 A C 1.911 179.206 177.584 -0.480 0.000 1.176 189 A CA 1.683 53.470 52.037 -0.418 0.000 0.631 189 A CB -0.601 18.114 19.000 -0.476 0.000 0.814 189 A HN 0.633 nan 8.150 nan 0.000 0.446 190 F N -1.258 118.559 119.950 -0.222 0.000 2.046 190 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 190 F C 2.141 177.706 175.800 -0.390 0.000 1.123 190 F CA 1.677 59.482 58.000 -0.326 0.000 1.199 190 F CB -0.785 37.960 39.000 -0.426 0.000 0.972 190 F HN 0.210 nan 8.300 nan 0.000 0.474 191 F N -0.451 119.415 119.950 -0.141 0.000 2.186 191 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 191 F C 2.204 177.664 175.800 -0.567 0.000 1.090 191 F CA 0.664 58.419 58.000 -0.409 0.000 1.307 191 F CB -1.161 37.374 39.000 -0.775 0.000 1.019 191 F HN -0.101 nan 8.300 nan 0.000 0.489 192 L N 0.538 121.534 121.223 -0.378 0.000 2.079 192 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 192 L C 2.578 179.040 176.870 -0.681 0.000 1.081 192 L CA 2.109 56.571 54.840 -0.630 0.000 0.752 192 L CB -1.215 40.572 42.059 -0.454 0.000 0.896 192 L HN 0.223 nan 8.230 nan 0.000 0.433 193 S N -1.110 114.293 115.700 -0.495 0.000 2.465 193 S HA -0.247 4.223 4.470 -0.000 0.000 0.241 193 S C 2.058 176.483 174.600 -0.293 0.000 1.000 193 S CA 1.039 58.991 58.200 -0.414 0.000 0.964 193 S CB -0.700 62.282 63.200 -0.362 0.000 0.763 193 S HN 0.567 nan 8.310 nan 0.000 0.512 194 R N 0.262 120.594 120.500 -0.279 0.000 2.096 194 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 194 R C 1.669 177.941 176.300 -0.047 0.000 1.127 194 R CA 1.936 57.964 56.100 -0.119 0.000 0.968 194 R CB -0.316 29.983 30.300 -0.002 0.000 0.861 194 R HN 0.918 nan 8.270 nan 0.000 0.440 195 Y N -5.480 114.776 120.300 -0.073 0.000 2.610 195 Y HA 0.224 4.774 4.550 -0.000 0.000 0.254 195 Y C 1.291 177.180 175.900 -0.018 0.000 1.110 195 Y CA -1.209 56.859 58.100 -0.053 0.000 1.238 195 Y CB -0.716 37.702 38.460 -0.070 0.000 1.322 195 Y HN -0.122 nan 8.280 nan 0.000 0.547 196 Y N 2.879 122.935 120.300 -0.406 0.000 2.139 196 Y HA -0.342 4.208 4.550 -0.000 0.000 0.282 196 Y C 2.662 178.468 175.900 -0.157 0.000 1.179 196 Y CA 2.500 60.402 58.100 -0.331 0.000 1.161 196 Y CB -0.465 37.723 38.460 -0.453 0.000 0.970 196 Y HN 0.367 nan 8.280 nan 0.000 0.511 197 S N -0.698 114.920 115.700 -0.137 0.000 2.419 197 S HA -0.183 4.287 4.470 -0.000 0.000 0.235 197 S C 1.313 175.837 174.600 -0.126 0.000 1.019 197 S CA 1.484 59.572 58.200 -0.187 0.000 0.982 197 S CB -0.383 62.744 63.200 -0.121 0.000 0.789 197 S HN 0.551 nan 8.310 nan 0.000 0.490 198 K N 0.510 120.884 120.400 -0.043 0.000 2.699 198 K HA 0.434 4.754 4.320 -0.000 0.000 0.210 198 K C 0.848 177.472 176.600 0.040 0.000 1.076 198 K CA -0.209 56.084 56.287 0.011 0.000 1.109 198 K CB 0.159 32.691 32.500 0.055 0.000 0.862 198 K HN 0.236 nan 8.250 nan 0.000 0.470 199 L N 0.729 121.938 121.223 -0.024 0.000 2.042 199 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 199 L C 2.388 179.282 176.870 0.040 0.000 1.076 199 L CA 1.603 56.463 54.840 0.033 0.000 0.749 199 L CB -0.342 41.651 42.059 -0.110 0.000 0.893 199 L HN 0.399 nan 8.230 nan 0.000 0.432 200 A N -0.724 122.097 122.820 0.003 0.000 1.908 200 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 200 A C 2.109 179.708 177.584 0.024 0.000 1.181 200 A CA 1.804 53.852 52.037 0.020 0.000 0.627 200 A CB -0.487 18.521 19.000 0.014 0.000 0.818 200 A HN 0.541 nan 8.150 nan 0.000 0.445 201 Q N -0.789 119.025 119.800 0.024 0.000 2.119 201 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 201 Q C 2.024 178.028 176.000 0.007 0.000 0.972 201 Q CA 1.300 57.113 55.803 0.017 0.000 0.847 201 Q CB -0.251 28.501 28.738 0.023 0.000 0.903 201 Q HN 0.748 nan 8.270 nan 0.000 0.433 202 I N -0.113 120.475 120.570 0.029 0.000 2.252 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 202 I C 1.976 178.093 176.117 0.000 0.000 1.102 202 I CA 0.855 62.161 61.300 0.010 0.000 1.385 202 I CB -0.020 38.031 38.000 0.084 0.000 1.064 202 I HN 0.032 nan 8.210 nan 0.000 0.414 203 V N 0.707 120.644 119.914 0.039 0.000 2.871 203 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 203 V C 2.608 178.706 176.094 0.006 0.000 1.082 203 V CA 1.275 63.599 62.300 0.041 0.000 1.105 203 V CB -0.659 31.212 31.823 0.080 0.000 0.713 203 V HN 0.427 nan 8.190 nan 0.000 0.473 204 A N 1.618 124.438 122.820 -0.001 0.000 1.892 204 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 204 A C 0.676 178.243 177.584 -0.029 0.000 1.188 204 A CA 2.245 54.275 52.037 -0.013 0.000 0.631 204 A CB -1.782 17.212 19.000 -0.010 0.000 0.822 204 A HN 0.597 nan 8.150 nan 0.000 0.447 205 P HA 0.165 nan 4.420 nan 0.000 0.249 205 P C -0.052 177.217 177.300 -0.052 0.000 1.229 205 P CA 0.369 63.440 63.100 -0.049 0.000 0.788 205 P CB -0.090 31.571 31.700 -0.064 0.000 1.072 206 L N -0.245 120.948 121.223 -0.050 0.000 2.360 206 L HA 0.342 4.682 4.340 -0.000 0.000 0.271 206 L C 1.378 178.187 176.870 -0.103 0.000 1.057 206 L CA -0.699 54.110 54.840 -0.052 0.000 0.803 206 L CB 0.950 42.999 42.059 -0.016 0.000 1.207 206 L HN -0.280 nan 8.230 nan 0.000 0.445 207 D N 0.067 120.377 120.400 -0.150 0.000 2.183 207 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 207 D C -0.581 175.333 176.300 -0.643 0.000 0.962 207 D CA 1.639 55.401 54.000 -0.397 0.000 0.849 207 D CB 0.448 41.028 40.800 -0.367 0.000 0.978 207 D HN 0.294 nan 8.370 nan 0.000 0.488 208 Y N -0.676 119.618 120.300 -0.010 0.000 2.552 208 Y HA 0.406 4.956 4.550 -0.000 0.000 0.337 208 Y C -0.690 175.211 175.900 0.001 0.000 1.094 208 Y CA -0.945 57.145 58.100 -0.017 0.000 1.028 208 Y CB 1.994 40.415 38.460 -0.064 0.000 1.321 208 Y HN -0.286 nan 8.280 nan 0.000 0.456 209 I N 3.353 124.039 120.570 0.194 0.000 2.382 209 I HA 0.452 4.622 4.170 -0.000 0.000 0.285 209 I C -1.253 174.927 176.117 0.105 0.000 1.007 209 I CA -0.611 60.774 61.300 0.142 0.000 1.142 209 I CB 0.475 38.563 38.000 0.146 0.000 1.289 209 I HN 0.576 nan 8.210 nan 0.000 0.453 210 N N 8.880 127.643 118.700 0.106 0.000 2.437 210 N HA 0.314 5.054 4.740 -0.000 0.000 0.243 210 N C -0.680 174.875 175.510 0.076 0.000 1.041 210 N CA -0.231 52.866 53.050 0.078 0.000 0.940 210 N CB 1.331 39.877 38.487 0.098 0.000 1.133 210 N HN 0.574 nan 8.380 nan 0.000 0.506 211 L N 1.936 123.165 121.223 0.009 0.000 2.410 211 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 211 L C 1.114 177.924 176.870 -0.100 0.000 1.152 211 L CA 0.102 54.922 54.840 -0.035 0.000 0.855 211 L CB 0.340 42.333 42.059 -0.110 0.000 1.129 211 L HN 0.337 nan 8.230 nan 0.000 0.463 212 M N 3.376 122.872 119.600 -0.172 0.000 3.586 212 M HA 0.075 4.555 4.480 -0.000 0.000 0.225 212 M C 0.248 176.116 176.300 -0.720 0.000 1.428 212 M CA -0.187 54.739 55.300 -0.622 0.000 1.613 212 M CB -0.399 31.977 32.600 -0.373 0.000 1.063 212 M HN 0.552 nan 8.290 nan 0.000 0.593 213 T N 0.019 114.273 114.554 -0.501 0.000 4.313 213 T HA 0.307 4.657 4.350 -0.000 0.000 0.272 213 T C -0.558 174.103 174.700 -0.065 0.000 1.298 213 T CA -0.254 61.725 62.100 -0.202 0.000 1.124 213 T CB -1.092 67.740 68.868 -0.060 0.000 1.352 213 T HN 0.510 nan 8.240 nan 0.000 1.013 214 Y N -2.817 117.562 120.300 0.132 0.000 2.853 214 Y HA 0.547 5.097 4.550 -0.000 0.000 0.326 214 Y C -0.310 175.703 175.900 0.188 0.000 1.384 214 Y CA -1.997 56.190 58.100 0.145 0.000 1.077 214 Y CB -0.119 38.430 38.460 0.148 0.000 1.395 214 Y HN 0.115 nan 8.280 nan 0.000 0.451 215 D N 0.077 120.791 120.400 0.523 0.000 2.911 215 D HA -0.165 4.475 4.640 -0.000 0.000 0.227 215 D C 0.411 176.973 176.300 0.436 0.000 1.164 215 D CA 1.187 55.490 54.000 0.505 0.000 0.782 215 D CB -0.992 40.078 40.800 0.451 0.000 1.094 215 D HN 0.716 nan 8.370 nan 0.000 0.425 216 L N -1.527 119.877 121.223 0.301 0.000 2.599 216 L HA 0.317 4.657 4.340 -0.000 0.000 0.230 216 L C 1.129 178.117 176.870 0.196 0.000 1.141 216 L CA 0.611 55.569 54.840 0.197 0.000 0.877 216 L CB -0.016 42.105 42.059 0.103 0.000 1.009 216 L HN 0.202 nan 8.230 nan 0.000 0.447 217 A N -0.704 122.266 122.820 0.250 0.000 2.587 217 A HA 0.857 5.177 4.320 -0.000 0.000 0.293 217 A C -0.423 177.112 177.584 -0.082 0.000 1.087 217 A CA 0.039 52.160 52.037 0.140 0.000 0.692 217 A CB 1.747 20.857 19.000 0.183 0.000 1.291 217 A HN 0.085 nan 8.150 nan 0.000 0.407 218 G N -0.506 107.983 108.800 -0.519 0.000 2.356 218 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 218 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 218 G C -2.748 171.522 174.900 -1.049 0.000 1.423 218 G CA 0.071 44.378 45.100 -1.322 0.000 0.806 218 G HN 0.452 nan 8.290 nan 0.000 0.527 219 P HA -0.048 nan 4.420 nan 0.000 0.225 219 P C 1.286 178.616 177.300 0.049 0.000 1.148 219 P CA 1.415 64.380 63.100 -0.225 0.000 0.779 219 P CB -0.078 31.540 31.700 -0.136 0.000 0.780 220 W N -0.102 121.304 121.300 0.178 0.000 2.825 220 W HA 0.225 4.885 4.660 -0.000 0.000 0.243 220 W C 0.270 176.885 176.519 0.161 0.000 1.293 220 W CA -0.165 57.261 57.345 0.135 0.000 1.403 220 W CB -0.966 28.528 29.460 0.056 0.000 1.134 220 W HN -0.224 nan 8.180 nan 0.000 0.666 221 E N 1.411 121.548 120.200 -0.103 0.000 2.214 221 E HA 0.127 4.477 4.350 -0.000 0.000 0.274 221 E C 1.046 177.767 176.600 0.202 0.000 0.977 221 E CA -0.458 55.993 56.400 0.085 0.000 0.827 221 E CB 1.505 31.239 29.700 0.057 0.000 1.130 221 E HN -0.039 nan 8.360 nan 0.000 0.394 222 K N 0.265 120.736 120.400 0.119 0.000 2.155 222 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 222 K C 0.529 177.172 176.600 0.072 0.000 1.052 222 K CA 0.552 56.867 56.287 0.046 0.000 0.948 222 K CB 0.265 32.750 32.500 -0.025 0.000 0.728 222 K HN 0.182 nan 8.250 nan 0.000 0.448 223 V N 3.034 122.972 119.914 0.039 0.000 2.398 223 V HA 0.058 4.178 4.120 -0.000 0.000 0.286 223 V C 0.384 176.379 176.094 -0.165 0.000 1.026 223 V CA -0.855 61.420 62.300 -0.043 0.000 0.868 223 V CB 1.278 33.053 31.823 -0.079 0.000 0.982 223 V HN 0.329 nan 8.190 nan 0.000 0.443 224 T N 2.404 116.710 114.554 -0.413 0.000 2.937 224 T HA 0.295 4.645 4.350 -0.000 0.000 0.316 224 T C -0.144 174.191 174.700 -0.609 0.000 1.079 224 T CA -0.069 61.452 62.100 -0.965 0.000 1.131 224 T CB 0.840 68.887 68.868 -1.369 0.000 1.000 224 T HN 0.724 nan 8.240 nan 0.000 0.549 225 N N -0.852 117.579 118.700 -0.448 0.000 3.116 225 N HA 0.184 4.924 4.740 -0.000 0.000 0.244 225 N C -1.779 173.705 175.510 -0.044 0.000 1.485 225 N CA -0.723 52.237 53.050 -0.149 0.000 0.884 225 N CB 1.035 39.581 38.487 0.098 0.000 1.415 225 N HN 0.727 nan 8.380 nan 0.000 0.524 226 H N 1.231 120.399 119.070 0.163 0.000 2.683 226 H HA 0.100 4.656 4.556 -0.000 0.000 0.339 226 H C 0.360 175.769 175.328 0.135 0.000 1.081 226 H CA 0.274 56.400 56.048 0.129 0.000 1.432 226 H CB 1.244 31.028 29.762 0.037 0.000 1.462 226 H HN 0.559 nan 8.280 nan 0.000 0.557 227 Q N 1.798 121.730 119.800 0.219 0.000 2.432 227 Q HA 0.224 4.564 4.340 -0.000 0.000 0.205 227 Q C 0.326 176.444 176.000 0.197 0.000 0.945 227 Q CA 0.698 56.629 55.803 0.214 0.000 0.924 227 Q CB 0.771 29.643 28.738 0.224 0.000 1.016 227 Q HN 0.497 nan 8.270 nan 0.000 0.503 228 A N 0.488 123.405 122.820 0.163 0.000 3.339 228 A HA 0.666 4.986 4.320 -0.000 0.000 0.219 228 A C -0.167 177.443 177.584 0.043 0.000 0.974 228 A CA -0.270 51.841 52.037 0.123 0.000 1.050 228 A CB 0.136 19.236 19.000 0.167 0.000 1.271 228 A HN 0.358 nan 8.150 nan 0.000 0.565 229 A N 0.124 122.966 122.820 0.037 0.000 2.511 229 A HA 0.421 4.741 4.320 -0.000 0.000 0.242 229 A C 1.184 178.685 177.584 -0.139 0.000 1.069 229 A CA 0.182 52.178 52.037 -0.069 0.000 0.763 229 A CB 0.098 19.089 19.000 -0.015 0.000 1.001 229 A HN 1.384 nan 8.150 nan 0.000 0.498 230 L N 2.990 124.056 121.223 -0.261 0.000 2.023 230 L HA 0.238 4.578 4.340 -0.000 0.000 0.205 230 L C 0.148 176.634 176.870 -0.640 0.000 1.073 230 L CA 1.767 56.292 54.840 -0.525 0.000 0.745 230 L CB -0.535 41.124 42.059 -0.665 0.000 0.900 230 L HN 0.596 nan 8.230 nan 0.000 0.435 231 F N -1.128 118.777 119.950 -0.074 0.000 2.594 231 F HA 0.659 5.186 4.527 -0.000 0.000 0.335 231 F C 0.934 176.720 175.800 -0.023 0.000 1.058 231 F CA -0.955 57.031 58.000 -0.023 0.000 0.981 231 F CB 0.502 39.495 39.000 -0.012 0.000 1.289 231 F HN -0.097 nan 8.300 nan 0.000 0.490 232 G N -0.291 108.652 108.800 0.239 0.000 2.425 232 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 232 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 232 G C -1.750 173.185 174.900 0.057 0.000 1.159 232 G CA -0.242 44.929 45.100 0.118 0.000 0.865 232 G HN 0.493 nan 8.290 nan 0.000 0.515 233 D N 0.666 121.071 120.400 0.007 0.000 2.440 233 D HA 0.448 5.088 4.640 -0.000 0.000 0.239 233 D C 1.151 177.386 176.300 -0.109 0.000 1.084 233 D CA -0.195 53.786 54.000 -0.032 0.000 0.843 233 D CB 1.542 42.348 40.800 0.010 0.000 1.097 233 D HN 0.317 nan 8.370 nan 0.000 0.531 234 A N 3.518 126.288 122.820 -0.084 0.000 2.084 234 A HA -0.068 4.252 4.320 -0.000 0.000 0.221 234 A C 1.914 179.389 177.584 -0.182 0.000 1.161 234 A CA 1.923 53.896 52.037 -0.107 0.000 0.653 234 A CB -0.349 18.612 19.000 -0.066 0.000 0.802 234 A HN 0.617 nan 8.150 nan 0.000 0.457 235 A N -0.662 122.024 122.820 -0.225 0.000 2.123 235 A HA 0.433 4.753 4.320 -0.000 0.000 0.214 235 A C 1.465 178.589 177.584 -0.765 0.000 1.152 235 A CA 0.917 52.768 52.037 -0.310 0.000 0.728 235 A CB -0.700 18.222 19.000 -0.129 0.000 0.814 235 A HN 0.700 nan 8.150 nan 0.000 0.464 236 G N 0.045 108.241 108.800 -1.007 0.000 2.557 236 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 236 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 236 G C -2.423 172.109 174.900 -0.614 0.000 1.237 236 G CA -1.331 42.898 45.100 -1.452 0.000 0.978 236 G HN 0.180 nan 8.290 nan 0.000 0.498 237 P HA 0.219 nan 4.420 nan 0.000 0.272 237 P C -0.117 176.986 177.300 -0.329 0.000 1.230 237 P CA 0.076 62.960 63.100 -0.361 0.000 0.788 237 P CB 1.053 32.535 31.700 -0.363 0.000 0.949 238 T N -1.865 112.431 114.554 -0.430 0.000 2.916 238 T HA 0.755 5.105 4.350 -0.000 0.000 0.292 238 T C -0.785 173.605 174.700 -0.517 0.000 1.064 238 T CA -0.551 61.374 62.100 -0.291 0.000 1.011 238 T CB 0.993 69.774 68.868 -0.146 0.000 1.152 238 T HN 0.192 nan 8.240 nan 0.000 0.510 239 F N -0.454 119.397 119.950 -0.165 0.000 2.620 239 F HA 0.523 5.050 4.527 -0.000 0.000 0.320 239 F C -0.477 175.411 175.800 0.145 0.000 1.069 239 F CA -1.509 56.499 58.000 0.013 0.000 0.953 239 F CB 1.370 40.379 39.000 0.015 0.000 1.322 239 F HN 0.748 nan 8.300 nan 0.000 0.479 240 Y N 1.791 122.337 120.300 0.410 0.000 2.526 240 Y HA 0.058 4.608 4.550 -0.000 0.000 0.330 240 Y C 0.433 176.473 175.900 0.234 0.000 1.156 240 Y CA -0.102 58.175 58.100 0.296 0.000 1.419 240 Y CB 0.270 38.913 38.460 0.305 0.000 1.250 240 Y HN 0.598 nan 8.280 nan 0.000 0.540 241 N N 5.106 123.753 118.700 -0.088 0.000 2.605 241 N HA 0.239 4.979 4.740 -0.000 0.000 0.258 241 N C 0.825 176.149 175.510 -0.310 0.000 1.156 241 N CA 0.304 53.266 53.050 -0.147 0.000 1.008 241 N CB 0.334 38.655 38.487 -0.276 0.000 1.354 241 N HN 0.894 nan 8.380 nan 0.000 0.509 242 A N 3.653 126.335 122.820 -0.230 0.000 2.032 242 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 242 A C 1.888 179.219 177.584 -0.421 0.000 1.165 242 A CA 1.077 53.011 52.037 -0.171 0.000 0.645 242 A CB -0.410 18.399 19.000 -0.319 0.000 0.807 242 A HN 0.733 nan 8.150 nan 0.000 0.453 243 L N -0.378 120.392 121.223 -0.754 0.000 2.191 243 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 243 L C 2.662 178.759 176.870 -1.287 0.000 1.103 243 L CA 1.483 55.593 54.840 -1.217 0.000 0.769 243 L CB -0.586 40.358 42.059 -1.859 0.000 0.908 243 L HN 0.616 nan 8.230 nan 0.000 0.438 244 R N -0.041 119.948 120.500 -0.852 0.000 2.285 244 R HA -0.105 4.235 4.340 -0.000 0.000 0.213 244 R C 0.935 177.090 176.300 -0.241 0.000 1.068 244 R CA 0.928 56.791 56.100 -0.396 0.000 1.004 244 R CB -0.161 30.036 30.300 -0.172 0.000 0.873 244 R HN 0.319 nan 8.270 nan 0.000 0.467 245 E N 0.747 120.800 120.200 -0.245 0.000 2.498 245 E HA 0.229 4.579 4.350 -0.000 0.000 0.203 245 E C 0.182 176.675 176.600 -0.180 0.000 1.013 245 E CA 0.192 56.515 56.400 -0.127 0.000 0.927 245 E CB 1.058 30.743 29.700 -0.025 0.000 1.012 245 E HN 0.419 nan 8.360 nan 0.000 0.482 246 A N 1.530 124.171 122.820 -0.299 0.000 2.386 246 A HA 0.115 4.435 4.320 -0.000 0.000 0.246 246 A C 0.503 177.968 177.584 -0.199 0.000 1.089 246 A CA -0.274 51.611 52.037 -0.253 0.000 0.790 246 A CB 0.042 18.867 19.000 -0.291 0.000 1.042 246 A HN 0.009 nan 8.150 nan 0.000 0.497 247 N N 0.754 119.367 118.700 -0.145 0.000 3.245 247 N HA 0.270 5.010 4.740 -0.000 0.000 0.296 247 N C 0.497 175.918 175.510 -0.149 0.000 1.254 247 N CA 0.133 53.116 53.050 -0.111 0.000 1.190 247 N CB -0.512 37.940 38.487 -0.059 0.000 1.460 247 N HN 0.596 nan 8.380 nan 0.000 0.538 248 L N -0.053 121.011 121.223 -0.264 0.000 2.307 248 L HA 0.243 4.583 4.340 -0.000 0.000 0.211 248 L C 1.612 178.371 176.870 -0.185 0.000 1.099 248 L CA 0.481 55.052 54.840 -0.449 0.000 0.816 248 L CB -0.125 41.231 42.059 -1.172 0.000 0.952 248 L HN 0.549 nan 8.230 nan 0.000 0.455 249 G N -1.259 107.514 108.800 -0.046 0.000 2.143 249 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 249 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 249 G C -0.138 174.939 174.900 0.294 0.000 0.991 249 G CA -0.213 44.958 45.100 0.117 0.000 0.689 249 G HN 0.104 nan 8.290 nan 0.000 0.522 250 W N 1.148 122.496 121.300 0.080 0.000 2.141 250 W HA 0.704 5.364 4.660 -0.000 0.000 0.354 250 W C 1.196 177.773 176.519 0.095 0.000 1.297 250 W CA -0.743 56.649 57.345 0.079 0.000 1.380 250 W CB 0.215 29.721 29.460 0.076 0.000 1.168 250 W HN 0.539 nan 8.180 nan 0.000 0.639 251 S N -0.276 115.633 115.700 0.348 0.000 2.669 251 S HA 0.086 4.556 4.470 -0.000 0.000 0.270 251 S C 0.548 175.329 174.600 0.301 0.000 1.225 251 S CA -0.496 57.875 58.200 0.285 0.000 0.991 251 S CB 0.847 64.189 63.200 0.237 0.000 0.987 251 S HN 0.571 nan 8.310 nan 0.000 0.552 252 W N 1.127 122.517 121.300 0.149 0.000 2.338 252 W HA -0.081 4.579 4.660 -0.000 0.000 0.304 252 W C 2.161 178.748 176.519 0.113 0.000 1.212 252 W CA 1.812 59.234 57.345 0.128 0.000 1.264 252 W CB -0.128 29.393 29.460 0.102 0.000 1.142 252 W HN 0.791 nan 8.180 nan 0.000 0.512 253 E N 0.294 120.746 120.200 0.421 0.000 2.072 253 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 253 E C 1.855 178.457 176.600 0.003 0.000 0.985 253 E CA 1.787 58.327 56.400 0.234 0.000 0.801 253 E CB -0.526 29.318 29.700 0.239 0.000 0.750 253 E HN 0.566 nan 8.360 nan 0.000 0.452 254 E N 0.669 120.890 120.200 0.036 0.000 2.051 254 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 254 E C 2.379 179.008 176.600 0.048 0.000 0.991 254 E CA 0.691 57.065 56.400 -0.044 0.000 0.799 254 E CB -0.137 29.515 29.700 -0.079 0.000 0.748 254 E HN 0.166 nan 8.360 nan 0.000 0.449 255 L N 0.711 122.027 121.223 0.155 0.000 2.017 255 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 255 L C 2.610 179.423 176.870 -0.096 0.000 1.073 255 L CA 1.319 56.270 54.840 0.186 0.000 0.745 255 L CB -0.649 41.480 42.059 0.116 0.000 0.894 255 L HN 0.164 nan 8.230 nan 0.000 0.432 256 T N -0.249 114.075 114.554 -0.382 0.000 2.746 256 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 256 T C 1.860 176.378 174.700 -0.304 0.000 1.039 256 T CA 1.719 63.529 62.100 -0.484 0.000 1.142 256 T CB -0.250 68.040 68.868 -0.963 0.000 0.866 256 T HN 0.449 nan 8.240 nan 0.000 0.444 257 R N 1.358 121.702 120.500 -0.260 0.000 2.148 257 R HA 0.293 4.633 4.340 -0.000 0.000 0.223 257 R C 2.409 178.526 176.300 -0.305 0.000 1.088 257 R CA 1.105 57.067 56.100 -0.230 0.000 0.985 257 R CB -0.359 29.834 30.300 -0.177 0.000 0.880 257 R HN 0.311 nan 8.270 nan 0.000 0.451 258 A N 0.866 123.422 122.820 -0.439 0.000 1.975 258 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 258 A C 0.199 177.318 177.584 -0.776 0.000 1.170 258 A CA 0.303 51.912 52.037 -0.715 0.000 0.656 258 A CB 0.064 18.399 19.000 -1.109 0.000 0.821 258 A HN 0.319 nan 8.150 nan 0.000 0.449 259 F N 1.024 120.919 119.950 -0.092 0.000 2.531 259 F HA 0.321 4.848 4.527 -0.000 0.000 0.333 259 F C -2.536 173.114 175.800 -0.251 0.000 1.292 259 F CA -3.681 54.212 58.000 -0.179 0.000 1.184 259 F CB 0.442 39.307 39.000 -0.225 0.000 1.426 259 F HN -0.011 nan 8.300 nan 0.000 0.559 260 P HA 0.065 nan 4.420 nan 0.000 0.266 260 P C -0.160 177.111 177.300 -0.049 0.000 1.195 260 P CA 0.339 63.357 63.100 -0.136 0.000 0.768 260 P CB 1.841 33.429 31.700 -0.187 0.000 0.838 261 S N 2.650 118.324 115.700 -0.042 0.000 2.548 261 S HA 0.572 5.042 4.470 -0.000 0.000 0.276 261 S C -2.537 172.061 174.600 -0.003 0.000 1.129 261 S CA -1.229 56.965 58.200 -0.009 0.000 0.931 261 S CB 0.737 63.809 63.200 -0.213 0.000 1.068 261 S HN 0.320 nan 8.310 nan 0.000 0.480 262 P HA 0.517 nan 4.420 nan 0.000 0.274 262 P C -0.915 176.526 177.300 0.235 0.000 1.256 262 P CA -0.264 62.913 63.100 0.129 0.000 0.795 262 P CB 0.202 31.935 31.700 0.055 0.000 1.038 263 F N -2.926 117.069 119.950 0.075 0.000 2.685 263 F HA 0.561 5.088 4.527 -0.000 0.000 0.315 263 F C -1.015 174.894 175.800 0.182 0.000 1.126 263 F CA -1.200 56.864 58.000 0.106 0.000 0.950 263 F CB 0.654 39.743 39.000 0.150 0.000 1.360 263 F HN 0.093 nan 8.300 nan 0.000 0.469 264 S N 2.150 117.877 115.700 0.044 0.000 2.439 264 S HA 0.385 4.855 4.470 -0.000 0.000 0.282 264 S C -0.538 173.987 174.600 -0.125 0.000 1.170 264 S CA -0.418 57.761 58.200 -0.035 0.000 1.054 264 S CB 0.675 63.934 63.200 0.099 0.000 0.956 264 S HN 0.646 nan 8.310 nan 0.000 0.490 265 L N 6.218 127.279 121.223 -0.269 0.000 2.454 265 L HA 0.274 4.614 4.340 -0.000 0.000 0.284 265 L C 0.577 177.443 176.870 -0.006 0.000 1.139 265 L CA 0.588 55.286 54.840 -0.237 0.000 0.911 265 L CB -0.863 40.923 42.059 -0.456 0.000 1.262 265 L HN 0.785 nan 8.230 nan 0.000 0.453 266 T N -0.084 114.519 114.554 0.082 0.000 2.864 266 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 266 T C 1.080 175.785 174.700 0.007 0.000 1.082 266 T CA -0.494 61.634 62.100 0.046 0.000 1.009 266 T CB 1.057 69.964 68.868 0.065 0.000 1.234 266 T HN -0.030 nan 8.240 nan 0.000 0.526 267 V N 0.788 120.656 119.914 -0.076 0.000 2.358 267 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 267 V C 2.515 178.518 176.094 -0.152 0.000 1.047 267 V CA 2.484 64.712 62.300 -0.119 0.000 1.035 267 V CB -1.015 30.692 31.823 -0.193 0.000 0.658 267 V HN 1.104 nan 8.190 nan 0.000 0.452 268 D N 0.406 120.664 120.400 -0.236 0.000 2.144 268 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 268 D C 2.078 178.442 176.300 0.107 0.000 0.984 268 D CA 1.459 55.403 54.000 -0.094 0.000 0.834 268 D CB -0.125 40.678 40.800 0.004 0.000 0.955 268 D HN 0.365 nan 8.370 nan 0.000 0.465 269 A N 0.617 123.496 122.820 0.098 0.000 1.877 269 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 269 A C 2.448 179.913 177.584 -0.198 0.000 1.186 269 A CA 2.284 54.286 52.037 -0.057 0.000 0.620 269 A CB -1.276 17.831 19.000 0.178 0.000 0.822 269 A HN 0.365 nan 8.150 nan 0.000 0.443 270 A N -0.693 122.103 122.820 -0.040 0.000 1.902 270 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 270 A C 2.255 179.925 177.584 0.144 0.000 1.181 270 A CA 1.841 53.894 52.037 0.028 0.000 0.623 270 A CB -0.965 18.063 19.000 0.046 0.000 0.818 270 A HN 0.397 nan 8.150 nan 0.000 0.443 271 V N 0.099 120.080 119.914 0.111 0.000 2.295 271 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 271 V C 2.730 178.952 176.094 0.213 0.000 1.049 271 V CA 2.050 64.456 62.300 0.178 0.000 1.024 271 V CB -0.737 31.259 31.823 0.289 0.000 0.648 271 V HN 0.553 nan 8.190 nan 0.000 0.447 272 Q N -0.263 119.642 119.800 0.175 0.000 2.170 272 Q HA -0.231 4.109 4.340 -0.000 0.000 0.203 272 Q C 2.228 178.292 176.000 0.107 0.000 0.976 272 Q CA 1.553 57.456 55.803 0.167 0.000 0.858 272 Q CB -0.404 28.482 28.738 0.247 0.000 0.907 272 Q HN 0.715 nan 8.270 nan 0.000 0.433 273 Q N -0.632 119.143 119.800 -0.043 0.000 2.170 273 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 273 Q C 1.788 177.934 176.000 0.244 0.000 0.976 273 Q CA 1.226 57.032 55.803 0.006 0.000 0.858 273 Q CB -0.137 28.449 28.738 -0.253 0.000 0.907 273 Q HN 0.549 nan 8.270 nan 0.000 0.433 274 H N 0.032 119.208 119.070 0.177 0.000 2.363 274 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 274 H C 1.787 177.201 175.328 0.144 0.000 1.074 274 H CA 1.087 57.248 56.048 0.189 0.000 1.354 274 H CB 0.005 29.854 29.762 0.146 0.000 1.397 274 H HN 0.105 nan 8.280 nan 0.000 0.516 275 L N -0.215 121.158 121.223 0.249 0.000 2.362 275 L HA -0.133 4.207 4.340 -0.000 0.000 0.219 275 L C 1.884 178.837 176.870 0.139 0.000 1.134 275 L CA 0.754 55.694 54.840 0.167 0.000 0.807 275 L CB -0.282 41.863 42.059 0.144 0.000 0.927 275 L HN 0.376 nan 8.230 nan 0.000 0.447 276 M N -1.305 118.398 119.600 0.172 0.000 2.476 276 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 276 M C 0.393 176.781 176.300 0.148 0.000 1.079 276 M CA 0.798 56.194 55.300 0.159 0.000 1.104 276 M CB 0.045 32.780 32.600 0.225 0.000 1.409 276 M HN 0.141 nan 8.290 nan 0.000 0.467 277 M N 0.963 120.636 119.600 0.121 0.000 2.216 277 M HA 0.196 4.676 4.480 -0.000 0.000 0.356 277 M C 0.041 176.369 176.300 0.047 0.000 1.205 277 M CA -0.006 55.329 55.300 0.059 0.000 1.122 277 M CB 0.567 33.108 32.600 -0.098 0.000 1.571 277 M HN 0.057 nan 8.290 nan 0.000 0.464 278 E N 0.819 121.045 120.200 0.044 0.000 2.413 278 E HA 0.270 4.620 4.350 -0.000 0.000 0.263 278 E C 0.900 177.519 176.600 0.032 0.000 1.015 278 E CA 0.700 57.120 56.400 0.033 0.000 0.916 278 E CB 0.394 30.111 29.700 0.028 0.000 0.947 278 E HN 0.957 nan 8.360 nan 0.000 0.440 279 G N 1.707 110.526 108.800 0.032 0.000 2.143 279 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 279 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 279 G C 0.007 174.929 174.900 0.037 0.000 0.991 279 G CA 0.112 45.230 45.100 0.030 0.000 0.689 279 G HN 0.372 nan 8.290 nan 0.000 0.522 280 V N 2.947 122.891 119.914 0.050 0.000 2.266 280 V HA 0.392 4.512 4.120 -0.000 0.000 0.271 280 V C -1.325 174.814 176.094 0.074 0.000 1.032 280 V CA -1.360 60.985 62.300 0.075 0.000 0.806 280 V CB 1.471 33.358 31.823 0.107 0.000 1.052 280 V HN 0.308 nan 8.190 nan 0.000 0.449 281 P HA 0.115 nan 4.420 nan 0.000 0.271 281 P C 1.089 178.427 177.300 0.062 0.000 1.216 281 P CA 0.089 63.217 63.100 0.048 0.000 0.771 281 P CB 1.509 33.225 31.700 0.028 0.000 0.864 282 S N 3.126 118.861 115.700 0.059 0.000 2.383 282 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 282 S C 1.927 176.567 174.600 0.067 0.000 1.030 282 S CA 1.089 59.327 58.200 0.064 0.000 1.002 282 S CB -1.289 61.939 63.200 0.046 0.000 0.829 282 S HN 0.525 nan 8.310 nan 0.000 0.467 283 A N 1.525 124.379 122.820 0.056 0.000 2.125 283 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 283 A C 2.167 179.820 177.584 0.115 0.000 1.156 283 A CA 1.327 53.407 52.037 0.071 0.000 0.671 283 A CB -0.443 18.582 19.000 0.042 0.000 0.794 283 A HN 0.643 nan 8.150 nan 0.000 0.459 284 K N -0.842 119.615 120.400 0.094 0.000 2.379 284 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 284 K C -0.247 176.470 176.600 0.196 0.000 1.031 284 K CA -0.023 56.337 56.287 0.121 0.000 1.037 284 K CB 0.224 32.746 32.500 0.037 0.000 0.824 284 K HN 0.452 nan 8.250 nan 0.000 0.516 285 I N 2.192 122.842 120.570 0.133 0.000 2.396 285 I HA 0.041 4.211 4.170 -0.000 0.000 0.289 285 I C -0.321 175.842 176.117 0.076 0.000 1.056 285 I CA -0.384 60.965 61.300 0.080 0.000 1.365 285 I CB 1.086 39.117 38.000 0.051 0.000 1.407 285 I HN -0.270 nan 8.210 nan 0.000 0.509 286 V N 7.621 127.559 119.914 0.040 0.000 2.495 286 V HA 0.320 4.440 4.120 -0.000 0.000 0.298 286 V C 0.084 176.189 176.094 0.017 0.000 1.031 286 V CA -0.715 61.582 62.300 -0.005 0.000 0.871 286 V CB 1.932 33.687 31.823 -0.113 0.000 0.988 286 V HN 0.689 nan 8.190 nan 0.000 0.432 287 M N 4.297 123.930 119.600 0.055 0.000 2.105 287 M HA 0.506 4.986 4.480 -0.000 0.000 0.350 287 M C 0.506 176.874 176.300 0.114 0.000 1.308 287 M CA -0.163 55.184 55.300 0.078 0.000 1.108 287 M CB 0.436 33.107 32.600 0.118 0.000 1.622 287 M HN 0.807 nan 8.290 nan 0.000 0.468 288 G N 4.076 112.946 108.800 0.117 0.000 2.444 288 G HA2 0.530 4.490 3.960 -0.000 0.000 0.268 288 G HA3 0.530 4.490 3.960 -0.000 0.000 0.268 288 G C -0.812 174.332 174.900 0.406 0.000 1.203 288 G CA -0.530 44.737 45.100 0.278 0.000 0.835 288 G HN 0.813 nan 8.290 nan 0.000 0.543 289 V N -0.616 119.608 119.914 0.517 0.000 2.876 289 V HA 0.864 4.984 4.120 -0.000 0.000 0.312 289 V C -2.703 173.652 176.094 0.436 0.000 1.085 289 V CA -2.657 59.934 62.300 0.485 0.000 0.945 289 V CB 2.616 34.603 31.823 0.272 0.000 1.017 289 V HN 0.661 nan 8.190 nan 0.000 0.428 290 P HA 0.448 nan 4.420 nan 0.000 0.292 290 P C -0.829 176.636 177.300 0.275 0.000 1.283 290 P CA -0.275 62.754 63.100 -0.119 0.000 0.835 290 P CB 1.520 32.780 31.700 -0.734 0.000 1.017 291 F N 2.191 122.160 119.950 0.031 0.000 2.668 291 F HA 0.234 4.761 4.527 -0.000 0.000 0.297 291 F C 0.369 176.227 175.800 0.097 0.000 1.124 291 F CA -0.491 57.538 58.000 0.048 0.000 1.353 291 F CB -0.595 38.407 39.000 0.003 0.000 0.992 291 F HN 0.244 nan 8.300 nan 0.000 0.524 292 Y N -2.637 117.794 120.300 0.219 0.000 2.615 292 Y HA 0.865 5.415 4.550 -0.000 0.000 0.341 292 Y C -0.116 175.866 175.900 0.137 0.000 1.089 292 Y CA -2.346 55.828 58.100 0.122 0.000 1.049 292 Y CB 0.801 39.310 38.460 0.082 0.000 1.296 292 Y HN -0.122 nan 8.280 nan 0.000 0.470 293 G N 0.859 109.763 108.800 0.174 0.000 2.511 293 G HA2 0.702 4.662 3.960 -0.000 0.000 0.318 293 G HA3 0.702 4.662 3.960 -0.000 0.000 0.318 293 G C -1.523 173.478 174.900 0.168 0.000 1.210 293 G CA -1.534 43.639 45.100 0.122 0.000 0.969 293 G HN 0.653 nan 8.290 nan 0.000 0.484 294 R N -0.204 120.364 120.500 0.114 0.000 2.445 294 R HA 0.631 4.971 4.340 -0.000 0.000 0.308 294 R C -0.420 175.866 176.300 -0.022 0.000 0.961 294 R CA -0.479 55.635 56.100 0.024 0.000 0.862 294 R CB 2.089 32.397 30.300 0.013 0.000 1.144 294 R HN 0.623 nan 8.270 nan 0.000 0.447 295 A N 3.361 126.120 122.820 -0.101 0.000 2.340 295 A HA 0.785 5.105 4.320 -0.000 0.000 0.331 295 A C -1.162 176.470 177.584 0.080 0.000 1.140 295 A CA -0.470 51.626 52.037 0.099 0.000 0.801 295 A CB 0.668 19.745 19.000 0.128 0.000 1.234 295 A HN 0.554 nan 8.150 nan 0.000 0.469 296 F N 0.596 120.702 119.950 0.260 0.000 2.563 296 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 296 F C 0.484 176.259 175.800 -0.040 0.000 1.076 296 F CA -0.590 57.472 58.000 0.103 0.000 0.921 296 F CB 2.379 41.336 39.000 -0.072 0.000 1.209 296 F HN 0.720 nan 8.300 nan 0.000 0.462 297 K N -0.484 119.788 120.400 -0.213 0.000 2.313 297 K HA 0.818 5.138 4.320 -0.000 0.000 0.235 297 K C 0.444 176.957 176.600 -0.146 0.000 1.035 297 K CA -0.659 55.352 56.287 -0.460 0.000 0.868 297 K CB 1.798 33.497 32.500 -1.335 0.000 1.232 297 K HN 0.910 nan 8.250 nan 0.000 0.459 298 G N -0.231 108.489 108.800 -0.134 0.000 2.176 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 298 G C 0.010 174.925 174.900 0.025 0.000 1.024 298 G CA 0.253 45.325 45.100 -0.047 0.000 0.755 298 G HN 0.932 nan 8.290 nan 0.000 0.507 299 V N -2.405 117.546 119.914 0.062 0.000 2.863 299 V HA 0.903 5.023 4.120 -0.000 0.000 0.307 299 V C 0.641 176.784 176.094 0.081 0.000 1.061 299 V CA -0.029 62.310 62.300 0.064 0.000 1.024 299 V CB 1.700 33.568 31.823 0.076 0.000 1.049 299 V HN 0.471 nan 8.190 nan 0.000 0.471 300 S N 1.480 117.197 115.700 0.029 0.000 2.730 300 S HA 0.803 5.273 4.470 -0.000 0.000 0.284 300 S C 0.381 175.006 174.600 0.042 0.000 1.153 300 S CA 0.026 58.248 58.200 0.037 0.000 0.995 300 S CB 1.448 64.641 63.200 -0.012 0.000 1.058 300 S HN 1.375 nan 8.310 nan 0.000 0.552 301 G N -1.277 107.555 108.800 0.054 0.000 2.613 301 G HA2 0.542 4.502 3.960 -0.000 0.000 0.303 301 G HA3 0.542 4.502 3.960 -0.000 0.000 0.303 301 G C 0.757 175.616 174.900 -0.068 0.000 1.312 301 G CA -0.205 44.903 45.100 0.013 0.000 1.036 301 G HN 1.432 nan 8.290 nan 0.000 0.513 302 G N -1.048 107.698 108.800 -0.090 0.000 2.238 302 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 302 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 302 G C 0.491 175.332 174.900 -0.099 0.000 0.996 302 G CA 0.580 45.639 45.100 -0.069 0.000 0.632 302 G HN 0.862 nan 8.290 nan 0.000 0.503 303 N N -0.435 118.151 118.700 -0.191 0.000 2.301 303 N HA 0.447 5.187 4.740 -0.000 0.000 0.247 303 N C 1.172 176.501 175.510 -0.301 0.000 1.347 303 N CA 0.837 53.765 53.050 -0.204 0.000 0.844 303 N CB 0.659 39.016 38.487 -0.216 0.000 1.332 303 N HN 1.278 nan 8.380 nan 0.000 0.494 304 G N 0.281 108.811 108.800 -0.449 0.000 2.225 304 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.267 304 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.267 304 G C 0.989 175.452 174.900 -0.729 0.000 1.024 304 G CA 0.525 45.207 45.100 -0.696 0.000 0.784 304 G HN 0.831 nan 8.290 nan 0.000 0.507 305 G N -2.022 106.338 108.800 -0.734 0.000 2.232 305 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 305 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 305 G C 0.376 174.647 174.900 -1.049 0.000 0.996 305 G CA 0.765 45.611 45.100 -0.424 0.000 0.626 305 G HN 1.200 nan 8.290 nan 0.000 0.509 306 Q N -0.536 118.599 119.800 -1.109 0.000 2.352 306 Q HA 0.479 4.819 4.340 -0.000 0.000 0.260 306 Q C 0.397 175.734 176.000 -1.105 0.000 0.976 306 Q CA -0.342 54.509 55.803 -1.587 0.000 0.881 306 Q CB 0.307 27.981 28.738 -1.773 0.000 1.235 306 Q HN 0.653 nan 8.270 nan 0.000 0.419 307 Y N -1.411 118.511 120.300 -0.630 0.000 3.589 307 Y HA -0.260 4.290 4.550 -0.000 0.000 0.218 307 Y C -0.003 175.697 175.900 -0.334 0.000 1.234 307 Y CA 0.725 58.585 58.100 -0.400 0.000 1.576 307 Y CB -2.319 35.972 38.460 -0.281 0.000 1.487 307 Y HN 0.499 nan 8.280 nan 0.000 0.616 308 S N -0.170 115.346 115.700 -0.306 0.000 2.578 308 S HA 0.809 5.279 4.470 -0.000 0.000 0.301 308 S C 0.393 174.915 174.600 -0.130 0.000 1.091 308 S CA -0.097 57.979 58.200 -0.208 0.000 1.032 308 S CB 1.305 64.361 63.200 -0.241 0.000 1.064 308 S HN 0.541 nan 8.310 nan 0.000 0.508 309 S N 2.874 118.528 115.700 -0.077 0.000 2.600 309 S HA 0.513 4.983 4.470 -0.000 0.000 0.265 309 S C -0.136 174.469 174.600 0.007 0.000 1.325 309 S CA -0.389 57.778 58.200 -0.055 0.000 1.002 309 S CB 0.225 63.375 63.200 -0.083 0.000 0.921 309 S HN 1.007 nan 8.310 nan 0.000 0.554 310 H N -1.886 117.153 119.070 -0.052 0.000 2.928 310 H HA 0.557 5.113 4.556 0.000 0.000 0.285 310 H C -1.059 174.268 175.328 -0.003 0.000 1.438 310 H CA -0.452 55.585 56.048 -0.019 0.000 1.176 310 H CB 0.884 30.678 29.762 0.053 0.000 1.864 310 H HN 0.755 nan 8.280 nan 0.000 0.567 311 S N -0.177 115.566 115.700 0.071 0.000 2.751 311 S HA 0.226 4.696 4.470 -0.000 0.000 0.247 311 S C -0.605 174.066 174.600 0.119 0.000 1.103 311 S CA -0.482 57.715 58.200 -0.005 0.000 1.090 311 S CB -0.559 62.610 63.200 -0.051 0.000 0.928 311 S HN 0.573 nan 8.310 nan 0.000 0.502 312 T N 4.497 119.317 114.554 0.442 0.000 2.806 312 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 312 T C -2.789 172.117 174.700 0.343 0.000 0.966 312 T CA -1.229 61.099 62.100 0.380 0.000 1.060 312 T CB 0.933 70.008 68.868 0.344 0.000 0.927 312 T HN 0.168 nan 8.240 nan 0.000 0.485 313 P HA 0.236 nan 4.420 nan 0.000 0.271 313 P C 0.834 178.300 177.300 0.278 0.000 1.220 313 P CA -0.143 63.114 63.100 0.263 0.000 0.768 313 P CB 0.545 32.397 31.700 0.252 0.000 0.848 314 G N 2.099 111.044 108.800 0.242 0.000 2.887 314 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.211 314 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.211 314 G C 0.245 175.302 174.900 0.262 0.000 1.152 314 G CA 0.048 45.318 45.100 0.283 0.000 0.769 314 G HN 0.407 nan 8.290 nan 0.000 0.541 315 E N 0.976 121.295 120.200 0.198 0.000 2.408 315 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 315 E C -0.827 175.871 176.600 0.163 0.000 1.110 315 E CA 0.220 56.713 56.400 0.156 0.000 0.929 315 E CB 0.779 30.544 29.700 0.108 0.000 0.971 315 E HN 0.006 nan 8.360 nan 0.000 0.438 316 D N 1.675 122.156 120.400 0.135 0.000 2.787 316 D HA 0.291 4.931 4.640 -0.000 0.000 0.246 316 D C -2.005 174.364 176.300 0.115 0.000 1.150 316 D CA -1.190 52.888 54.000 0.130 0.000 0.864 316 D CB 1.125 41.996 40.800 0.118 0.000 1.481 316 D HN 0.282 nan 8.370 nan 0.000 0.509 317 P HA 0.104 nan 4.420 nan 0.000 0.275 317 P C -0.382 177.013 177.300 0.159 0.000 1.266 317 P CA -0.489 62.685 63.100 0.123 0.000 0.793 317 P CB 0.590 32.351 31.700 0.103 0.000 1.074 318 Y N 2.412 122.748 120.300 0.060 0.000 2.770 318 Y HA 0.037 4.587 4.550 0.000 0.000 0.342 318 Y C -1.230 174.721 175.900 0.085 0.000 1.221 318 Y CA -1.513 56.634 58.100 0.079 0.000 1.560 318 Y CB 0.207 38.711 38.460 0.073 0.000 1.213 318 Y HN 0.198 nan 8.280 nan 0.000 0.525 319 P HA 0.061 nan 4.420 nan 0.000 0.228 319 P C -0.687 176.389 177.300 -0.374 0.000 1.748 319 P CA 0.392 63.358 63.100 -0.223 0.000 0.909 319 P CB 0.244 31.884 31.700 -0.099 0.000 1.882 320 S N -0.961 114.403 115.700 -0.559 0.000 2.683 320 S HA 0.381 4.851 4.470 -0.000 0.000 0.269 320 S C -0.086 174.373 174.600 -0.235 0.000 1.165 320 S CA -0.102 57.839 58.200 -0.433 0.000 0.840 320 S CB 1.091 63.976 63.200 -0.526 0.000 1.169 320 S HN 0.024 nan 8.310 nan 0.000 0.490 321 T N 0.459 114.917 114.554 -0.160 0.000 3.111 321 T HA 0.298 4.648 4.350 -0.000 0.000 0.284 321 T C -0.696 173.644 174.700 -0.600 0.000 0.983 321 T CA 0.088 62.026 62.100 -0.271 0.000 0.900 321 T CB -0.274 68.486 68.868 -0.180 0.000 1.132 321 T HN 0.483 nan 8.240 nan 0.000 0.531 322 D N 1.810 122.088 120.400 -0.204 0.000 2.393 322 D HA 0.142 4.782 4.640 -0.000 0.000 0.232 322 D C -0.965 175.321 176.300 -0.022 0.000 1.192 322 D CA -0.404 53.546 54.000 -0.082 0.000 0.882 322 D CB -0.035 40.883 40.800 0.197 0.000 1.038 322 D HN 0.271 nan 8.370 nan 0.000 0.499 323 Y N 4.765 125.083 120.300 0.031 0.000 2.691 323 Y HA 0.154 4.704 4.550 -0.000 0.000 0.338 323 Y C 0.823 176.622 175.900 -0.167 0.000 1.148 323 Y CA -1.265 56.703 58.100 -0.219 0.000 1.430 323 Y CB -0.273 38.084 38.460 -0.172 0.000 1.303 323 Y HN 0.525 nan 8.280 nan 0.000 0.499 324 W N 1.494 122.849 121.300 0.093 0.000 3.256 324 W HA 0.257 4.917 4.660 -0.000 0.000 0.269 324 W C -0.604 175.901 176.519 -0.023 0.000 1.310 324 W CA -0.269 57.090 57.345 0.024 0.000 1.673 324 W CB 0.185 29.662 29.460 0.028 0.000 1.115 324 W HN 0.289 nan 8.180 nan 0.000 0.686 325 L N 3.449 124.605 121.223 -0.111 0.000 2.356 325 L HA 0.188 4.528 4.340 -0.000 0.000 0.282 325 L C 0.200 177.052 176.870 -0.030 0.000 1.132 325 L CA -0.278 54.549 54.840 -0.021 0.000 0.923 325 L CB 0.663 42.551 42.059 -0.284 0.000 1.278 325 L HN -0.323 nan 8.230 nan 0.000 0.436 326 V N 4.698 124.628 119.914 0.027 0.000 2.644 326 V HA 0.088 4.208 4.120 -0.000 0.000 0.305 326 V C 1.440 177.394 176.094 -0.234 0.000 1.053 326 V CA 1.317 63.576 62.300 -0.068 0.000 1.186 326 V CB 0.529 32.302 31.823 -0.085 0.000 0.895 326 V HN 1.089 nan 8.190 nan 0.000 0.490 327 G N 2.964 111.466 108.800 -0.497 0.000 2.253 327 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 327 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 327 G C 0.627 175.243 174.900 -0.474 0.000 0.998 327 G CA 0.075 44.584 45.100 -0.985 0.000 0.621 327 G HN 1.014 nan 8.290 nan 0.000 0.524 328 C N 3.159 122.269 119.300 -0.317 0.000 2.423 328 C HA 0.519 4.979 4.460 -0.000 0.000 0.378 328 C C 2.101 176.962 174.990 -0.215 0.000 1.068 328 C CA 0.469 59.330 59.018 -0.262 0.000 1.371 328 C CB -1.152 26.426 27.740 -0.269 0.000 1.856 328 C HN 0.646 nan 8.230 nan 0.000 0.523 329 E N 1.877 121.973 120.200 -0.174 0.000 2.150 329 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 329 E C 1.472 177.981 176.600 -0.152 0.000 0.985 329 E CA 1.450 57.771 56.400 -0.132 0.000 0.814 329 E CB -0.151 29.499 29.700 -0.083 0.000 0.752 329 E HN 0.862 nan 8.360 nan 0.000 0.466 330 E N 0.107 120.211 120.200 -0.159 0.000 2.150 330 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 330 E C 2.126 178.597 176.600 -0.215 0.000 0.985 330 E CA 1.291 57.598 56.400 -0.155 0.000 0.814 330 E CB -0.110 29.510 29.700 -0.133 0.000 0.752 330 E HN 0.386 nan 8.360 nan 0.000 0.466 331 C N 0.127 119.264 119.300 -0.271 0.000 2.422 331 C HA -0.075 4.385 4.460 -0.000 0.000 0.279 331 C C 2.622 177.302 174.990 -0.518 0.000 1.305 331 C CA 0.186 58.981 59.018 -0.372 0.000 1.757 331 C CB -0.676 26.820 27.740 -0.406 0.000 1.962 331 C HN 0.256 nan 8.230 nan 0.000 0.499 332 V N 2.137 121.780 119.914 -0.453 0.000 2.323 332 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 332 V C 2.702 178.555 176.094 -0.402 0.000 1.041 332 V CA 2.315 64.282 62.300 -0.555 0.000 1.025 332 V CB -0.722 30.956 31.823 -0.242 0.000 0.656 332 V HN 0.637 nan 8.190 nan 0.000 0.451 333 R N 0.759 121.116 120.500 -0.240 0.000 2.120 333 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 333 R C 1.260 177.461 176.300 -0.165 0.000 1.123 333 R CA 2.103 58.109 56.100 -0.157 0.000 0.975 333 R CB -0.513 29.728 30.300 -0.098 0.000 0.866 333 R HN 0.395 nan 8.270 nan 0.000 0.446 334 D N 0.787 121.061 120.400 -0.210 0.000 2.328 334 D HA 0.056 4.696 4.640 -0.000 0.000 0.221 334 D C -0.298 175.871 176.300 -0.218 0.000 1.072 334 D CA 0.155 54.053 54.000 -0.172 0.000 0.850 334 D CB 0.262 40.977 40.800 -0.142 0.000 0.922 334 D HN 0.243 nan 8.370 nan 0.000 0.516 335 K N 1.144 121.314 120.400 -0.384 0.000 3.156 335 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 335 K C -0.513 175.963 176.600 -0.208 0.000 0.966 335 K CA 0.607 56.649 56.287 -0.408 0.000 0.719 335 K CB -1.051 31.429 32.500 -0.033 0.000 1.333 335 K HN 0.120 nan 8.250 nan 0.000 0.468 336 D N -0.799 119.346 120.400 -0.424 0.000 2.688 336 D HA 0.117 4.757 4.640 -0.000 0.000 0.210 336 D C -2.422 173.494 176.300 -0.640 0.000 1.333 336 D CA -1.522 52.175 54.000 -0.504 0.000 0.920 336 D CB 1.637 42.271 40.800 -0.277 0.000 1.554 336 D HN -0.142 nan 8.370 nan 0.000 0.579 337 P HA 0.200 nan 4.420 nan 0.000 0.262 337 P C 0.649 177.433 177.300 -0.860 0.000 1.304 337 P CA -0.043 62.468 63.100 -0.982 0.000 0.859 337 P CB 0.501 31.250 31.700 -1.586 0.000 1.310 338 R N -0.655 119.481 120.500 -0.607 0.000 2.297 338 R HA 0.230 4.570 4.340 -0.000 0.000 0.197 338 R C 0.554 176.721 176.300 -0.221 0.000 0.943 338 R CA 0.343 56.246 56.100 -0.327 0.000 1.038 338 R CB 0.223 30.401 30.300 -0.204 0.000 0.957 338 R HN 0.161 nan 8.270 nan 0.000 0.484 339 I N 0.251 120.689 120.570 -0.220 0.000 2.582 339 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 339 I C -0.915 175.125 176.117 -0.128 0.000 1.066 339 I CA -1.013 60.220 61.300 -0.111 0.000 1.053 339 I CB 1.944 39.873 38.000 -0.118 0.000 1.241 339 I HN -0.122 nan 8.210 nan 0.000 0.421 340 A N 4.114 126.901 122.820 -0.054 0.000 2.408 340 A HA 0.637 4.957 4.320 -0.000 0.000 0.295 340 A C -0.095 177.474 177.584 -0.025 0.000 1.040 340 A CA -0.525 51.450 52.037 -0.104 0.000 0.707 340 A CB 1.476 20.358 19.000 -0.196 0.000 1.235 340 A HN 0.766 nan 8.150 nan 0.000 0.418 341 S N 1.822 117.497 115.700 -0.041 0.000 2.573 341 S HA 0.150 4.620 4.470 -0.000 0.000 0.277 341 S C 0.906 175.475 174.600 -0.052 0.000 1.346 341 S CA 0.339 58.540 58.200 0.001 0.000 1.034 341 S CB 0.101 63.265 63.200 -0.060 0.000 0.879 341 S HN 1.212 nan 8.310 nan 0.000 0.528 342 Y N 3.117 123.365 120.300 -0.087 0.000 2.193 342 Y HA -0.216 4.334 4.550 -0.000 0.000 0.285 342 Y C 2.634 178.434 175.900 -0.166 0.000 1.166 342 Y CA 2.231 60.241 58.100 -0.150 0.000 1.181 342 Y CB -0.413 37.932 38.460 -0.191 0.000 0.976 342 Y HN 0.888 nan 8.280 nan 0.000 0.520 343 R N 0.120 120.507 120.500 -0.188 0.000 2.094 343 R HA -0.287 4.053 4.340 -0.000 0.000 0.239 343 R C 2.387 178.517 176.300 -0.284 0.000 1.137 343 R CA 2.162 58.130 56.100 -0.221 0.000 0.943 343 R CB -0.545 29.703 30.300 -0.087 0.000 0.850 343 R HN 0.415 nan 8.270 nan 0.000 0.433 344 Q N 0.533 120.191 119.800 -0.237 0.000 2.084 344 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 344 Q C 2.071 177.874 176.000 -0.329 0.000 0.978 344 Q CA 1.815 57.475 55.803 -0.238 0.000 0.844 344 Q CB -0.241 28.374 28.738 -0.204 0.000 0.898 344 Q HN 0.531 nan 8.270 nan 0.000 0.426 345 L N 0.168 121.132 121.223 -0.430 0.000 2.046 345 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 345 L C 2.525 179.072 176.870 -0.537 0.000 1.077 345 L CA 1.793 56.302 54.840 -0.552 0.000 0.747 345 L CB -0.550 41.089 42.059 -0.699 0.000 0.896 345 L HN 0.414 nan 8.230 nan 0.000 0.432 346 E N 0.037 119.861 120.200 -0.627 0.000 2.110 346 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 346 E C 2.192 178.636 176.600 -0.260 0.000 0.988 346 E CA 1.214 57.317 56.400 -0.496 0.000 0.804 346 E CB 0.099 29.429 29.700 -0.617 0.000 0.745 346 E HN 0.530 nan 8.360 nan 0.000 0.458 347 Q N -0.388 119.280 119.800 -0.220 0.000 2.123 347 Q HA -0.102 4.238 4.340 -0.000 0.000 0.199 347 Q C 2.198 178.196 176.000 -0.003 0.000 0.966 347 Q CA 1.345 57.093 55.803 -0.091 0.000 0.845 347 Q CB -0.002 28.691 28.738 -0.076 0.000 0.907 347 Q HN 0.355 nan 8.270 nan 0.000 0.439 348 M N 0.174 119.718 119.600 -0.093 0.000 2.086 348 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 348 M C 2.095 178.485 176.300 0.150 0.000 1.067 348 M CA 1.416 56.711 55.300 -0.010 0.000 1.116 348 M CB -0.220 32.166 32.600 -0.356 0.000 1.348 348 M HN 0.230 nan 8.290 nan 0.000 0.407 349 L N 0.288 121.483 121.223 -0.047 0.000 2.083 349 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 349 L C 2.533 179.437 176.870 0.056 0.000 1.083 349 L CA 1.419 56.268 54.840 0.014 0.000 0.752 349 L CB -0.431 41.584 42.059 -0.073 0.000 0.899 349 L HN 0.492 nan 8.230 nan 0.000 0.433 350 Q N -1.353 118.462 119.800 0.025 0.000 2.403 350 Q HA 0.028 4.368 4.340 -0.000 0.000 0.203 350 Q C 1.390 177.394 176.000 0.007 0.000 0.932 350 Q CA 0.737 56.547 55.803 0.011 0.000 0.945 350 Q CB 0.011 28.741 28.738 -0.013 0.000 1.045 350 Q HN 0.367 nan 8.270 nan 0.000 0.511 351 G N 1.827 110.659 108.800 0.054 0.000 3.284 351 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.236 351 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.236 351 G C 0.192 174.849 174.900 -0.404 0.000 1.158 351 G CA -0.367 44.641 45.100 -0.155 0.000 0.774 351 G HN 0.602 nan 8.290 nan 0.000 0.545 352 N N -0.746 117.872 118.700 -0.137 0.000 2.667 352 N HA -0.232 4.508 4.740 -0.000 0.000 0.263 352 N C -0.304 175.094 175.510 -0.188 0.000 1.038 352 N CA 0.113 53.086 53.050 -0.129 0.000 0.749 352 N CB -0.665 37.730 38.487 -0.153 0.000 0.892 352 N HN 0.408 nan 8.380 nan 0.000 0.546 353 Y N -0.390 119.955 120.300 0.075 0.000 2.531 353 Y HA 0.320 4.870 4.550 -0.000 0.000 0.249 353 Y C 1.825 177.684 175.900 -0.069 0.000 1.168 353 Y CA 0.673 58.815 58.100 0.070 0.000 1.226 353 Y CB 0.829 39.420 38.460 0.219 0.000 1.177 353 Y HN 0.493 nan 8.280 nan 0.000 0.527 354 G N -1.034 107.737 108.800 -0.048 0.000 2.159 354 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.227 354 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.227 354 G C -0.363 174.217 174.900 -0.534 0.000 0.986 354 G CA -0.584 44.277 45.100 -0.399 0.000 0.651 354 G HN 0.225 nan 8.290 nan 0.000 0.523 355 Y N 1.131 121.429 120.300 -0.004 0.000 2.320 355 Y HA 0.610 5.160 4.550 -0.000 0.000 0.324 355 Y C 0.940 176.839 175.900 -0.001 0.000 1.190 355 Y CA -0.270 57.844 58.100 0.025 0.000 1.215 355 Y CB 1.008 39.522 38.460 0.089 0.000 1.221 355 Y HN 0.275 nan 8.280 nan 0.000 0.486 356 Q N 2.446 122.356 119.800 0.182 0.000 2.353 356 Q HA 0.466 4.806 4.340 -0.000 0.000 0.268 356 Q C -0.882 175.192 176.000 0.123 0.000 1.045 356 Q CA -1.149 54.727 55.803 0.121 0.000 0.811 356 Q CB 2.711 31.514 28.738 0.109 0.000 1.305 356 Q HN 0.547 nan 8.270 nan 0.000 0.447 357 R N 2.645 123.192 120.500 0.080 0.000 2.229 357 R HA 0.383 4.723 4.340 -0.000 0.000 0.328 357 R C -1.283 174.999 176.300 -0.030 0.000 1.009 357 R CA -0.362 55.775 56.100 0.062 0.000 0.864 357 R CB 0.441 30.809 30.300 0.113 0.000 1.085 357 R HN 0.421 nan 8.270 nan 0.000 0.453 358 L N 3.986 125.055 121.223 -0.257 0.000 2.304 358 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 358 L C -0.686 176.036 176.870 -0.247 0.000 1.010 358 L CA -0.776 53.815 54.840 -0.415 0.000 0.813 358 L CB 1.362 42.865 42.059 -0.926 0.000 1.315 358 L HN 0.661 nan 8.230 nan 0.000 0.445 359 W N 2.399 123.601 121.300 -0.163 0.000 2.839 359 W HA 0.326 4.986 4.660 0.000 0.000 0.334 359 W C -1.122 175.525 176.519 0.213 0.000 1.064 359 W CA -0.589 56.784 57.345 0.047 0.000 1.236 359 W CB 1.890 31.353 29.460 0.006 0.000 1.405 359 W HN 0.493 nan 8.180 nan 0.000 0.478 360 N N 3.876 122.338 118.700 -0.397 0.000 2.457 360 N HA 0.036 4.776 4.740 -0.000 0.000 0.250 360 N C -0.059 175.028 175.510 -0.704 0.000 0.982 360 N CA 0.191 53.044 53.050 -0.328 0.000 0.941 360 N CB 1.338 39.601 38.487 -0.373 0.000 1.120 360 N HN 0.465 nan 8.380 nan 0.000 0.505 361 D N 2.513 122.767 120.400 -0.244 0.000 2.363 361 D HA 0.049 4.689 4.640 -0.000 0.000 0.226 361 D C 1.158 177.404 176.300 -0.090 0.000 1.020 361 D CA 0.824 54.792 54.000 -0.053 0.000 0.892 361 D CB 0.599 41.535 40.800 0.227 0.000 0.900 361 D HN 0.415 nan 8.370 nan 0.000 0.531 362 K N -0.815 119.508 120.400 -0.128 0.000 2.063 362 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 362 K C 2.123 178.678 176.600 -0.076 0.000 1.039 362 K CA 1.408 57.659 56.287 -0.061 0.000 0.957 362 K CB -0.792 31.686 32.500 -0.035 0.000 0.764 362 K HN 0.252 nan 8.250 nan 0.000 0.447 363 T N -0.361 114.056 114.554 -0.229 0.000 3.035 363 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 363 T C 0.480 174.948 174.700 -0.388 0.000 1.109 363 T CA 0.262 62.191 62.100 -0.285 0.000 1.119 363 T CB -0.065 68.508 68.868 -0.492 0.000 0.900 363 T HN 0.037 nan 8.240 nan 0.000 0.503 364 K N 2.155 122.220 120.400 -0.558 0.000 3.096 364 K HA -0.122 4.198 4.320 -0.000 0.000 0.266 364 K C 0.002 176.086 176.600 -0.860 0.000 1.043 364 K CA 1.276 57.129 56.287 -0.723 0.000 0.758 364 K CB -2.815 29.380 32.500 -0.508 0.000 1.260 364 K HN 0.903 nan 8.250 nan 0.000 0.481 365 T N -2.429 111.410 114.554 -1.191 0.000 2.903 365 T HA 0.702 5.052 4.350 -0.000 0.000 0.299 365 T C -2.887 171.336 174.700 -0.794 0.000 1.093 365 T CA -1.782 59.836 62.100 -0.804 0.000 1.002 365 T CB 3.752 72.371 68.868 -0.416 0.000 1.127 365 T HN -0.154 nan 8.240 nan 0.000 0.488 366 P HA 0.555 nan 4.420 nan 0.000 0.280 366 P C -1.641 175.688 177.300 0.049 0.000 1.272 366 P CA -0.515 62.535 63.100 -0.083 0.000 0.819 366 P CB 0.674 32.246 31.700 -0.212 0.000 1.122 367 Y N -2.433 117.913 120.300 0.077 0.000 2.604 367 Y HA 0.597 5.147 4.550 -0.000 0.000 0.331 367 Y C -1.841 174.218 175.900 0.266 0.000 1.158 367 Y CA -1.387 56.799 58.100 0.143 0.000 1.056 367 Y CB 0.456 38.937 38.460 0.034 0.000 1.330 367 Y HN 0.096 nan 8.280 nan 0.000 0.457 368 L N 3.190 124.570 121.223 0.261 0.000 2.325 368 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 368 L C -1.322 175.798 176.870 0.417 0.000 1.023 368 L CA -1.085 53.889 54.840 0.223 0.000 0.811 368 L CB 1.754 43.854 42.059 0.069 0.000 1.249 368 L HN 0.770 nan 8.230 nan 0.000 0.431 369 Y N 1.753 122.225 120.300 0.288 0.000 2.391 369 Y HA 0.364 4.914 4.550 -0.000 0.000 0.341 369 Y C -0.936 175.136 175.900 0.287 0.000 0.965 369 Y CA -1.126 57.177 58.100 0.338 0.000 1.067 369 Y CB 1.333 39.961 38.460 0.280 0.000 1.199 369 Y HN 0.536 nan 8.280 nan 0.000 0.450 370 H N 4.937 123.846 119.070 -0.268 0.000 2.638 370 H HA 0.589 5.145 4.556 -0.000 0.000 0.303 370 H C 0.210 175.063 175.328 -0.791 0.000 1.034 370 H CA 0.178 55.959 56.048 -0.445 0.000 1.225 370 H CB 1.423 30.979 29.762 -0.344 0.000 1.394 370 H HN 0.848 nan 8.280 nan 0.000 0.477 371 A N 3.636 125.922 122.820 -0.891 0.000 1.968 371 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 371 A C 2.152 179.580 177.584 -0.260 0.000 1.169 371 A CA 1.312 52.944 52.037 -0.675 0.000 0.638 371 A CB -0.357 18.433 19.000 -0.351 0.000 0.812 371 A HN 0.844 nan 8.150 nan 0.000 0.446 372 Q N -0.138 119.518 119.800 -0.240 0.000 2.020 372 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 372 Q C 0.985 177.038 176.000 0.088 0.000 0.982 372 Q CA 1.987 57.762 55.803 -0.047 0.000 0.838 372 Q CB -0.151 28.558 28.738 -0.048 0.000 0.899 372 Q HN 0.578 nan 8.270 nan 0.000 0.423 373 N N -0.697 118.182 118.700 0.299 0.000 2.336 373 N HA 0.146 4.886 4.740 -0.000 0.000 0.189 373 N C -0.107 175.407 175.510 0.006 0.000 1.113 373 N CA 0.883 53.967 53.050 0.057 0.000 0.858 373 N CB 1.014 39.398 38.487 -0.171 0.000 0.970 373 N HN 0.438 nan 8.380 nan 0.000 0.471 374 G N 0.848 109.667 108.800 0.031 0.000 2.298 374 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.287 374 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.287 374 G C -0.502 174.452 174.900 0.091 0.000 1.075 374 G CA -0.040 45.093 45.100 0.055 0.000 0.960 374 G HN 0.233 nan 8.290 nan 0.000 0.502 375 L N -0.935 120.373 121.223 0.140 0.000 2.334 375 L HA 0.892 5.232 4.340 -0.000 0.000 0.273 375 L C -0.136 177.024 176.870 0.483 0.000 1.013 375 L CA -1.302 53.694 54.840 0.260 0.000 0.816 375 L CB 1.914 44.118 42.059 0.241 0.000 1.278 375 L HN 0.171 nan 8.230 nan 0.000 0.431 376 F N 2.276 122.422 119.950 0.326 0.000 2.569 376 F HA 0.716 5.243 4.527 -0.000 0.000 0.312 376 F C -1.314 174.700 175.800 0.357 0.000 1.109 376 F CA -0.634 57.563 58.000 0.329 0.000 0.919 376 F CB 1.799 40.876 39.000 0.128 0.000 1.211 376 F HN 0.041 nan 8.300 nan 0.000 0.446 377 V N 4.315 123.991 119.914 -0.395 0.000 2.525 377 V HA 0.440 4.560 4.120 -0.000 0.000 0.299 377 V C -0.467 175.335 176.094 -0.485 0.000 1.034 377 V CA -0.710 61.416 62.300 -0.288 0.000 0.863 377 V CB 1.735 33.476 31.823 -0.136 0.000 0.999 377 V HN 0.860 nan 8.190 nan 0.000 0.423 378 T N 5.365 119.742 114.554 -0.295 0.000 2.767 378 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 378 T C -0.887 173.913 174.700 0.167 0.000 0.973 378 T CA -0.159 61.876 62.100 -0.108 0.000 0.996 378 T CB 0.504 69.353 68.868 -0.031 0.000 0.927 378 T HN 0.832 nan 8.240 nan 0.000 0.456 379 Y N 1.497 121.774 120.300 -0.037 0.000 2.853 379 Y HA 0.806 5.356 4.550 -0.000 0.000 0.326 379 Y C -1.594 174.286 175.900 -0.033 0.000 1.384 379 Y CA -1.639 56.432 58.100 -0.047 0.000 1.077 379 Y CB 0.449 38.883 38.460 -0.042 0.000 1.395 379 Y HN 0.493 nan 8.280 nan 0.000 0.451 380 D N 0.340 120.635 120.400 -0.174 0.000 2.419 380 D HA 0.529 5.169 4.640 -0.000 0.000 0.234 380 D C -1.406 174.564 176.300 -0.550 0.000 1.014 380 D CA -0.112 53.650 54.000 -0.397 0.000 0.919 380 D CB 1.896 42.559 40.800 -0.228 0.000 1.366 380 D HN 0.728 nan 8.370 nan 0.000 0.490 381 D N -0.933 119.015 120.400 -0.753 0.000 2.752 381 D HA 0.393 5.033 4.640 -0.000 0.000 0.313 381 D C 0.348 176.138 176.300 -0.849 0.000 1.225 381 D CA -0.778 52.763 54.000 -0.765 0.000 0.976 381 D CB 0.389 41.090 40.800 -0.165 0.000 1.443 381 D HN 0.286 nan 8.370 nan 0.000 0.515 382 A N -0.444 122.055 122.820 -0.536 0.000 2.024 382 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 382 A C 1.866 179.461 177.584 0.018 0.000 1.164 382 A CA 2.188 54.100 52.037 -0.207 0.000 0.643 382 A CB -0.914 18.012 19.000 -0.123 0.000 0.806 382 A HN 0.678 nan 8.150 nan 0.000 0.451 383 E N 0.193 120.374 120.200 -0.032 0.000 2.051 383 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 383 E C 2.229 179.003 176.600 0.291 0.000 0.979 383 E CA 1.244 57.666 56.400 0.037 0.000 0.803 383 E CB -0.097 29.521 29.700 -0.138 0.000 0.761 383 E HN 0.722 nan 8.360 nan 0.000 0.451 384 S N 0.037 115.950 115.700 0.354 0.000 2.419 384 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 384 S C 1.749 176.632 174.600 0.472 0.000 1.016 384 S CA 0.638 59.122 58.200 0.474 0.000 0.974 384 S CB -0.459 62.825 63.200 0.140 0.000 0.786 384 S HN 0.215 nan 8.310 nan 0.000 0.492 385 F N 2.292 122.335 119.950 0.156 0.000 2.365 385 F HA 0.234 4.761 4.527 -0.000 0.000 0.300 385 F C 2.241 178.047 175.800 0.011 0.000 1.090 385 F CA -0.055 58.026 58.000 0.135 0.000 1.408 385 F CB -0.716 38.373 39.000 0.148 0.000 1.060 385 F HN 0.272 nan 8.300 nan 0.000 0.534 386 K N -0.771 119.573 120.400 -0.094 0.000 2.057 386 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 386 K C 1.956 178.316 176.600 -0.400 0.000 1.049 386 K CA 1.706 57.561 56.287 -0.719 0.000 0.931 386 K CB -0.416 31.589 32.500 -0.825 0.000 0.714 386 K HN 0.211 nan 8.250 nan 0.000 0.440 387 Y N 1.139 121.482 120.300 0.071 0.000 2.220 387 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 387 Y C 2.136 178.122 175.900 0.145 0.000 1.129 387 Y CA 1.105 59.288 58.100 0.138 0.000 1.161 387 Y CB -0.115 38.450 38.460 0.175 0.000 0.997 387 Y HN -0.061 nan 8.280 nan 0.000 0.522 388 K N -0.088 120.469 120.400 0.262 0.000 2.097 388 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 388 K C 2.376 179.120 176.600 0.240 0.000 1.050 388 K CA 1.050 57.456 56.287 0.198 0.000 0.938 388 K CB -0.325 32.284 32.500 0.181 0.000 0.718 388 K HN 0.270 nan 8.250 nan 0.000 0.442 389 A N 1.717 124.636 122.820 0.165 0.000 1.930 389 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 389 A C 2.027 179.790 177.584 0.298 0.000 1.175 389 A CA 1.555 53.703 52.037 0.186 0.000 0.627 389 A CB -0.310 18.625 19.000 -0.109 0.000 0.815 389 A HN 0.215 nan 8.150 nan 0.000 0.443 390 K N -1.830 118.689 120.400 0.199 0.000 2.097 390 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 390 K C 1.865 178.633 176.600 0.281 0.000 1.050 390 K CA 1.515 57.931 56.287 0.215 0.000 0.938 390 K CB -0.358 32.226 32.500 0.140 0.000 0.718 390 K HN 0.527 nan 8.250 nan 0.000 0.442 391 Y N 1.175 121.589 120.300 0.190 0.000 2.181 391 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 391 Y C 1.743 177.745 175.900 0.170 0.000 1.146 391 Y CA 1.625 59.837 58.100 0.187 0.000 1.164 391 Y CB -0.011 38.535 38.460 0.143 0.000 0.982 391 Y HN 0.004 nan 8.280 nan 0.000 0.515 392 I N 0.192 120.994 120.570 0.387 0.000 2.286 392 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 392 I C 2.207 178.415 176.117 0.152 0.000 1.115 392 I CA 1.622 63.086 61.300 0.274 0.000 1.392 392 I CB -0.300 37.914 38.000 0.356 0.000 1.065 392 I HN 0.217 nan 8.210 nan 0.000 0.418 393 K N 0.182 120.701 120.400 0.199 0.000 2.044 393 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 393 K C 2.147 178.788 176.600 0.068 0.000 1.049 393 K CA 1.078 57.448 56.287 0.138 0.000 0.945 393 K CB -0.161 32.461 32.500 0.204 0.000 0.724 393 K HN 0.363 nan 8.250 nan 0.000 0.440 394 Q N 0.522 120.352 119.800 0.051 0.000 2.084 394 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 394 Q C 1.800 177.758 176.000 -0.071 0.000 0.978 394 Q CA 1.016 56.817 55.803 -0.003 0.000 0.844 394 Q CB 0.148 28.884 28.738 -0.002 0.000 0.898 394 Q HN 0.219 nan 8.270 nan 0.000 0.426 395 Q N 0.176 119.880 119.800 -0.161 0.000 2.403 395 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 395 Q C -0.251 175.715 176.000 -0.058 0.000 0.932 395 Q CA 0.275 55.971 55.803 -0.178 0.000 0.945 395 Q CB 0.520 29.035 28.738 -0.370 0.000 1.045 395 Q HN 0.404 nan 8.270 nan 0.000 0.511 396 Q N 0.433 120.220 119.800 -0.021 0.000 2.468 396 Q HA -0.192 4.148 4.340 -0.000 0.000 0.289 396 Q C -0.546 175.465 176.000 0.019 0.000 1.299 396 Q CA 0.298 56.104 55.803 0.006 0.000 0.838 396 Q CB -2.002 26.740 28.738 0.007 0.000 1.195 396 Q HN 0.374 nan 8.270 nan 0.000 0.456 397 L N -1.438 119.801 121.223 0.027 0.000 2.466 397 L HA 0.218 4.558 4.340 -0.000 0.000 0.257 397 L C 1.851 178.738 176.870 0.029 0.000 1.189 397 L CA 0.581 55.450 54.840 0.049 0.000 0.813 397 L CB 0.186 42.295 42.059 0.084 0.000 1.118 397 L HN 0.332 nan 8.230 nan 0.000 0.471 398 G N -0.292 108.547 108.800 0.066 0.000 2.471 398 G HA2 0.326 4.286 3.960 -0.000 0.000 0.219 398 G HA3 0.326 4.286 3.960 -0.000 0.000 0.219 398 G C 0.590 175.442 174.900 -0.081 0.000 1.125 398 G CA 0.768 45.926 45.100 0.096 0.000 0.775 398 G HN 0.960 nan 8.290 nan 0.000 0.548 399 G N -2.079 106.647 108.800 -0.124 0.000 2.373 399 G HA2 0.361 4.321 3.960 -0.000 0.000 0.250 399 G HA3 0.361 4.321 3.960 -0.000 0.000 0.250 399 G C -1.721 173.154 174.900 -0.042 0.000 1.304 399 G CA 0.120 45.090 45.100 -0.217 0.000 0.948 399 G HN 0.814 nan 8.290 nan 0.000 0.474 400 V N 1.206 121.135 119.914 0.026 0.000 2.962 400 V HA 0.888 5.008 4.120 -0.000 0.000 0.313 400 V C -0.660 175.480 176.094 0.077 0.000 1.099 400 V CA -0.702 61.679 62.300 0.135 0.000 0.971 400 V CB 1.835 33.831 31.823 0.287 0.000 1.028 400 V HN 1.169 nan 8.190 nan 0.000 0.430 401 M N 6.620 126.290 119.600 0.116 0.000 2.518 401 M HA 0.678 5.158 4.480 -0.000 0.000 0.300 401 M C -2.111 174.339 176.300 0.249 0.000 1.175 401 M CA -0.520 54.825 55.300 0.075 0.000 0.890 401 M CB 1.980 34.632 32.600 0.086 0.000 1.710 401 M HN 0.751 nan 8.290 nan 0.000 0.453 402 F N 1.888 121.897 119.950 0.099 0.000 2.613 402 F HA 0.782 5.309 4.527 -0.000 0.000 0.310 402 F C -2.109 173.745 175.800 0.089 0.000 1.085 402 F CA -1.099 56.894 58.000 -0.012 0.000 0.945 402 F CB 1.211 39.876 39.000 -0.558 0.000 1.298 402 F HN 0.689 nan 8.300 nan 0.000 0.455 403 W N 5.136 126.505 121.300 0.116 0.000 2.475 403 W HA 0.568 5.228 4.660 0.000 0.000 0.320 403 W C -1.958 174.649 176.519 0.148 0.000 1.022 403 W CA -0.674 56.728 57.345 0.095 0.000 1.240 403 W CB 1.489 30.898 29.460 -0.084 0.000 1.328 403 W HN 1.025 nan 8.180 nan 0.000 0.439 404 H N 2.014 120.891 119.070 -0.321 0.000 2.977 404 H HA 0.383 4.939 4.556 -0.000 0.000 0.350 404 H C 0.464 175.667 175.328 -0.209 0.000 1.238 404 H CA -0.939 54.806 56.048 -0.505 0.000 1.124 404 H CB 1.216 30.193 29.762 -1.309 0.000 1.866 404 H HN 0.261 nan 8.280 nan 0.000 0.550 405 L N 0.504 121.767 121.223 0.067 0.000 2.081 405 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 405 L C 2.415 178.888 176.870 -0.663 0.000 1.080 405 L CA 1.855 56.714 54.840 0.031 0.000 0.754 405 L CB -0.584 41.652 42.059 0.295 0.000 0.893 405 L HN 1.028 nan 8.230 nan 0.000 0.433 406 G N -1.370 106.936 108.800 -0.823 0.000 2.625 406 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 406 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 406 G C 1.384 175.924 174.900 -0.600 0.000 1.132 406 G CA 0.092 44.495 45.100 -1.162 0.000 0.782 406 G HN 0.446 nan 8.290 nan 0.000 0.538 407 Q N -0.388 119.081 119.800 -0.552 0.000 2.356 407 Q HA 0.095 4.435 4.340 -0.000 0.000 0.205 407 Q C 0.241 176.230 176.000 -0.019 0.000 0.901 407 Q CA -0.405 55.245 55.803 -0.256 0.000 0.938 407 Q CB 0.484 29.069 28.738 -0.255 0.000 1.081 407 Q HN 0.278 nan 8.270 nan 0.000 0.517 408 D N 1.507 121.922 120.400 0.025 0.000 2.360 408 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 408 D C -0.068 176.255 176.300 0.039 0.000 1.184 408 D CA -0.146 53.866 54.000 0.020 0.000 0.930 408 D CB 0.673 41.510 40.800 0.061 0.000 1.161 408 D HN 0.094 nan 8.370 nan 0.000 0.447 409 N N 0.940 119.693 118.700 0.089 0.000 2.294 409 N HA 0.026 4.766 4.740 -0.000 0.000 0.248 409 N C 0.875 176.429 175.510 0.073 0.000 1.300 409 N CA -0.126 52.963 53.050 0.066 0.000 0.925 409 N CB 0.345 38.876 38.487 0.073 0.000 1.188 409 N HN 0.216 nan 8.380 nan 0.000 0.512 410 R N -0.539 120.001 120.500 0.066 0.000 2.120 410 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 410 R C 0.623 176.973 176.300 0.084 0.000 1.123 410 R CA 0.906 57.060 56.100 0.090 0.000 0.975 410 R CB -0.845 29.493 30.300 0.065 0.000 0.866 410 R HN 0.616 nan 8.270 nan 0.000 0.446 411 N N -0.065 118.668 118.700 0.057 0.000 2.461 411 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 411 N C 0.554 176.088 175.510 0.040 0.000 1.134 411 N CA 0.899 53.975 53.050 0.042 0.000 0.878 411 N CB 0.296 38.796 38.487 0.022 0.000 0.972 411 N HN 0.362 nan 8.380 nan 0.000 0.456 412 G N 1.466 110.299 108.800 0.054 0.000 2.273 412 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.280 412 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.280 412 G C 0.483 175.362 174.900 -0.035 0.000 1.047 412 G CA 0.468 45.593 45.100 0.042 0.000 0.869 412 G HN 0.228 nan 8.290 nan 0.000 0.502 413 D N -0.158 120.202 120.400 -0.066 0.000 2.144 413 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 413 D C 2.741 178.897 176.300 -0.240 0.000 0.984 413 D CA 1.006 54.930 54.000 -0.126 0.000 0.834 413 D CB -0.038 40.712 40.800 -0.083 0.000 0.955 413 D HN 0.546 nan 8.370 nan 0.000 0.465 414 L N 0.117 121.106 121.223 -0.391 0.000 2.017 414 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 414 L C 2.433 179.138 176.870 -0.275 0.000 1.073 414 L CA 0.575 55.101 54.840 -0.524 0.000 0.745 414 L CB -0.424 40.882 42.059 -1.254 0.000 0.894 414 L HN 0.101 nan 8.230 nan 0.000 0.432 415 L N 0.473 121.587 121.223 -0.182 0.000 2.056 415 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 415 L C 2.619 179.437 176.870 -0.088 0.000 1.078 415 L CA 1.998 56.809 54.840 -0.048 0.000 0.749 415 L CB -0.763 41.348 42.059 0.087 0.000 0.901 415 L HN 0.119 nan 8.230 nan 0.000 0.433 416 A N -0.381 122.370 122.820 -0.115 0.000 1.933 416 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 416 A C 2.450 179.851 177.584 -0.304 0.000 1.175 416 A CA 1.763 53.712 52.037 -0.147 0.000 0.628 416 A CB -1.120 17.812 19.000 -0.114 0.000 0.814 416 A HN 0.608 nan 8.150 nan 0.000 0.444 417 A N -0.184 122.395 122.820 -0.401 0.000 1.873 417 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 417 A C 2.162 179.075 177.584 -1.118 0.000 1.186 417 A CA 1.431 52.988 52.037 -0.800 0.000 0.616 417 A CB -0.597 18.067 19.000 -0.559 0.000 0.823 417 A HN 0.465 nan 8.150 nan 0.000 0.442 418 L N -0.548 120.325 121.223 -0.583 0.000 2.046 418 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 418 L C 2.443 179.015 176.870 -0.497 0.000 1.077 418 L CA 1.951 56.468 54.840 -0.537 0.000 0.747 418 L CB -0.611 41.298 42.059 -0.251 0.000 0.896 418 L HN 0.542 nan 8.230 nan 0.000 0.432 419 D N -0.032 120.219 120.400 -0.249 0.000 2.117 419 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 419 D C 2.314 178.524 176.300 -0.149 0.000 0.987 419 D CA 1.111 55.068 54.000 -0.072 0.000 0.829 419 D CB 0.045 40.839 40.800 -0.011 0.000 0.961 419 D HN 0.062 nan 8.370 nan 0.000 0.460 420 R N -1.155 119.138 120.500 -0.346 0.000 2.091 420 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 420 R C 1.847 177.964 176.300 -0.304 0.000 1.136 420 R CA 1.378 57.278 56.100 -0.333 0.000 0.959 420 R CB -0.412 29.596 30.300 -0.488 0.000 0.856 420 R HN 0.278 nan 8.270 nan 0.000 0.437 421 Y N -0.519 119.461 120.300 -0.533 0.000 2.352 421 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 421 Y C 1.868 177.696 175.900 -0.120 0.000 1.136 421 Y CA 0.625 58.375 58.100 -0.584 0.000 1.227 421 Y CB -0.431 37.635 38.460 -0.658 0.000 0.991 421 Y HN 0.054 nan 8.280 nan 0.000 0.545 422 F N -0.679 119.353 119.950 0.137 0.000 2.317 422 F HA 0.043 4.570 4.527 -0.000 0.000 0.293 422 F C 1.466 177.337 175.800 0.119 0.000 1.085 422 F CA 0.743 58.823 58.000 0.132 0.000 1.390 422 F CB -0.732 38.323 39.000 0.091 0.000 1.077 422 F HN 0.028 nan 8.300 nan 0.000 0.517 423 N N -0.869 117.991 118.700 0.267 0.000 2.257 423 N HA 0.283 5.023 4.740 -0.000 0.000 0.200 423 N C 0.303 175.898 175.510 0.141 0.000 1.163 423 N CA 0.113 53.274 53.050 0.184 0.000 0.891 423 N CB 0.418 38.996 38.487 0.151 0.000 1.067 423 N HN 0.006 nan 8.380 nan 0.000 0.497 424 A N 0.900 123.801 122.820 0.135 0.000 2.454 424 A HA 0.532 4.852 4.320 -0.000 0.000 0.260 424 A C 1.365 179.044 177.584 0.158 0.000 1.106 424 A CA -0.066 52.048 52.037 0.127 0.000 0.780 424 A CB 0.213 19.282 19.000 0.115 0.000 1.044 424 A HN 0.320 nan 8.150 nan 0.000 0.498 425 A N 2.336 125.223 122.820 0.112 0.000 2.070 425 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 425 A C 1.225 178.865 177.584 0.094 0.000 1.159 425 A CA 1.723 53.817 52.037 0.095 0.000 0.656 425 A CB -0.330 18.712 19.000 0.068 0.000 0.800 425 A HN 0.849 nan 8.150 nan 0.000 0.453 426 D N -2.805 117.660 120.400 0.108 0.000 2.342 426 D HA 0.106 4.745 4.640 -0.000 0.000 0.221 426 D C -0.034 176.350 176.300 0.140 0.000 1.101 426 D CA -0.356 53.702 54.000 0.097 0.000 0.837 426 D CB -0.530 40.315 40.800 0.076 0.000 0.938 426 D HN 0.420 nan 8.370 nan 0.000 0.508 427 Y N 1.355 121.686 120.300 0.052 0.000 2.331 427 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 427 Y C -1.378 174.551 175.900 0.049 0.000 0.992 427 Y CA -1.468 56.669 58.100 0.062 0.000 1.121 427 Y CB 1.458 39.984 38.460 0.109 0.000 1.184 427 Y HN -0.204 nan 8.280 nan 0.000 0.469 428 D N 4.692 124.717 120.400 -0.624 0.000 2.473 428 D HA 0.159 4.799 4.640 -0.000 0.000 0.253 428 D C -0.742 175.178 176.300 -0.633 0.000 1.233 428 D CA -0.611 53.109 54.000 -0.466 0.000 0.908 428 D CB 0.825 41.501 40.800 -0.207 0.000 1.170 428 D HN 0.684 nan 8.370 nan 0.000 0.558 429 D N 1.400 121.453 120.400 -0.577 0.000 2.388 429 D HA -0.029 4.611 4.640 -0.000 0.000 0.221 429 D C 1.286 177.490 176.300 -0.160 0.000 1.133 429 D CA 0.033 53.803 54.000 -0.384 0.000 0.831 429 D CB -0.038 40.616 40.800 -0.243 0.000 0.962 429 D HN 0.199 nan 8.370 nan 0.000 0.502 430 S N 0.265 115.887 115.700 -0.129 0.000 2.419 430 S HA -0.269 4.201 4.470 -0.000 0.000 0.235 430 S C 1.618 176.195 174.600 -0.038 0.000 1.019 430 S CA 0.902 59.069 58.200 -0.056 0.000 0.982 430 S CB -0.508 62.665 63.200 -0.045 0.000 0.789 430 S HN 0.374 nan 8.310 nan 0.000 0.490 431 Q N 0.140 119.906 119.800 -0.057 0.000 2.319 431 Q HA 0.371 4.711 4.340 -0.000 0.000 0.202 431 Q C -0.294 175.700 176.000 -0.011 0.000 0.896 431 Q CA -0.420 55.367 55.803 -0.027 0.000 0.942 431 Q CB 0.085 28.804 28.738 -0.031 0.000 1.083 431 Q HN 0.472 nan 8.270 nan 0.000 0.510 432 L N 2.729 123.933 121.223 -0.032 0.000 2.534 432 L HA -0.006 4.334 4.340 -0.000 0.000 0.271 432 L C -0.300 176.635 176.870 0.110 0.000 1.178 432 L CA 0.439 55.276 54.840 -0.005 0.000 0.907 432 L CB 0.377 42.373 42.059 -0.105 0.000 1.164 432 L HN -0.057 nan 8.230 nan 0.000 0.482 433 D N 5.221 125.731 120.400 0.184 0.000 2.352 433 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 433 D C 0.848 177.355 176.300 0.345 0.000 1.224 433 D CA -0.204 53.923 54.000 0.212 0.000 0.879 433 D CB 0.753 41.649 40.800 0.160 0.000 1.057 433 D HN 0.491 nan 8.370 nan 0.000 0.491 434 M N 2.790 122.571 119.600 0.301 0.000 2.686 434 M HA 0.179 4.659 4.480 -0.000 0.000 0.246 434 M C 1.241 177.668 176.300 0.211 0.000 1.096 434 M CA 0.500 56.028 55.300 0.380 0.000 1.076 434 M CB -1.559 31.262 32.600 0.367 0.000 1.504 434 M HN 0.632 nan 8.290 nan 0.000 0.524 435 G N 0.878 109.753 108.800 0.125 0.000 2.750 435 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.228 435 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.228 435 G C 0.303 175.178 174.900 -0.042 0.000 1.367 435 G CA 0.185 45.313 45.100 0.047 0.000 0.871 435 G HN 0.445 nan 8.290 nan 0.000 0.560 436 T N -1.513 113.015 114.554 -0.043 0.000 3.174 436 T HA 0.589 4.939 4.350 -0.000 0.000 0.269 436 T C 1.349 175.995 174.700 -0.090 0.000 1.017 436 T CA 1.066 63.120 62.100 -0.076 0.000 0.899 436 T CB 0.433 69.280 68.868 -0.034 0.000 1.077 436 T HN 1.956 nan 8.240 nan 0.000 0.552 437 G N 1.695 110.445 108.800 -0.084 0.000 2.690 437 G HA2 0.431 4.391 3.960 -0.000 0.000 0.239 437 G HA3 0.431 4.391 3.960 -0.000 0.000 0.239 437 G C -0.068 174.796 174.900 -0.059 0.000 1.233 437 G CA -0.728 44.364 45.100 -0.013 0.000 0.847 437 G HN 0.581 nan 8.290 nan 0.000 0.588 438 L N 0.782 122.027 121.223 0.037 0.000 2.410 438 L HA 0.265 4.605 4.340 -0.000 0.000 0.273 438 L C 0.767 177.713 176.870 0.127 0.000 1.144 438 L CA -0.467 54.401 54.840 0.046 0.000 0.863 438 L CB 0.412 42.512 42.059 0.069 0.000 1.140 438 L HN 0.359 nan 8.230 nan 0.000 0.463 439 R N 1.807 122.345 120.500 0.063 0.000 2.500 439 R HA 0.276 4.616 4.340 -0.000 0.000 0.277 439 R C -0.849 175.588 176.300 0.229 0.000 1.026 439 R CA -0.610 55.602 56.100 0.185 0.000 1.058 439 R CB 0.570 30.910 30.300 0.066 0.000 1.078 439 R HN 0.324 nan 8.270 nan 0.000 0.509 440 Y N 0.907 121.326 120.300 0.199 0.000 2.393 440 Y HA 0.109 4.659 4.550 -0.000 0.000 0.338 440 Y C 0.659 176.615 175.900 0.093 0.000 1.029 440 Y CA 0.173 58.363 58.100 0.149 0.000 1.239 440 Y CB 0.852 39.408 38.460 0.161 0.000 1.170 440 Y HN 0.707 nan 8.280 nan 0.000 0.515 441 T N 1.850 116.224 114.554 -0.301 0.000 3.214 441 T HA 0.335 4.685 4.350 -0.000 0.000 0.264 441 T C 0.769 175.315 174.700 -0.257 0.000 1.012 441 T CA -0.073 61.915 62.100 -0.186 0.000 0.901 441 T CB -0.407 68.379 68.868 -0.136 0.000 1.070 441 T HN 0.785 nan 8.240 nan 0.000 0.561 442 G N 0.883 109.418 108.800 -0.442 0.000 2.544 442 G HA2 0.481 4.441 3.960 -0.000 0.000 0.242 442 G HA3 0.481 4.441 3.960 -0.000 0.000 0.242 442 G C -0.776 174.076 174.900 -0.079 0.000 1.247 442 G CA -0.292 44.651 45.100 -0.261 0.000 0.840 442 G HN 0.402 nan 8.290 nan 0.000 0.578 443 V N 1.074 120.904 119.914 -0.140 0.000 2.588 443 V HA 0.815 4.935 4.120 -0.000 0.000 0.304 443 V C 0.705 176.693 176.094 -0.177 0.000 1.042 443 V CA 0.068 62.300 62.300 -0.114 0.000 0.877 443 V CB 1.464 33.214 31.823 -0.122 0.000 0.996 443 V HN 1.146 nan 8.190 nan 0.000 0.425 444 G N 3.770 112.488 108.800 -0.137 0.000 3.105 444 G HA2 0.624 4.584 3.960 -0.000 0.000 0.277 444 G HA3 0.624 4.584 3.960 -0.000 0.000 0.277 444 G C -2.442 172.318 174.900 -0.233 0.000 1.375 444 G CA -1.252 43.721 45.100 -0.212 0.000 0.962 444 G HN 0.467 nan 8.290 nan 0.000 0.541 445 P HA -0.047 nan 4.420 nan 0.000 0.216 445 P C 1.790 179.024 177.300 -0.110 0.000 1.153 445 P CA 1.891 64.831 63.100 -0.267 0.000 0.858 445 P CB 0.161 31.712 31.700 -0.249 0.000 0.789 446 G N -1.045 107.734 108.800 -0.035 0.000 2.813 446 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.209 446 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.209 446 G C 0.604 175.513 174.900 0.015 0.000 1.150 446 G CA 0.206 45.313 45.100 0.010 0.000 0.785 446 G HN 0.509 nan 8.290 nan 0.000 0.535 447 N N -0.962 117.737 118.700 -0.002 0.000 2.536 447 N HA 0.305 5.045 4.740 -0.000 0.000 0.286 447 N C -0.190 175.308 175.510 -0.020 0.000 1.577 447 N CA -0.525 52.529 53.050 0.007 0.000 0.883 447 N CB 0.183 38.693 38.487 0.039 0.000 1.390 447 N HN -0.016 nan 8.380 nan 0.000 0.491 448 L N 1.300 122.498 121.223 -0.041 0.000 2.426 448 L HA 0.377 4.717 4.340 -0.000 0.000 0.271 448 L C -1.702 175.145 176.870 -0.038 0.000 1.169 448 L CA -1.739 53.065 54.840 -0.060 0.000 0.836 448 L CB 0.283 42.297 42.059 -0.075 0.000 1.112 448 L HN 0.174 nan 8.230 nan 0.000 0.465 449 P HA 0.142 nan 4.420 nan 0.000 0.275 449 P C -0.429 176.851 177.300 -0.033 0.000 1.228 449 P CA -0.270 62.812 63.100 -0.030 0.000 0.786 449 P CB 0.909 32.592 31.700 -0.029 0.000 0.927 450 I N 2.873 123.425 120.570 -0.029 0.000 2.588 450 I HA 0.133 4.303 4.170 -0.000 0.000 0.283 450 I C 0.972 177.073 176.117 -0.027 0.000 1.119 450 I CA 0.595 61.874 61.300 -0.034 0.000 1.419 450 I CB -0.018 37.964 38.000 -0.031 0.000 1.394 450 I HN 0.248 nan 8.210 nan 0.000 0.562 451 M N 4.521 124.104 119.600 -0.028 0.000 2.664 451 M HA 0.447 4.927 4.480 -0.000 0.000 0.279 451 M C -0.749 175.547 176.300 -0.007 0.000 1.275 451 M CA -0.683 54.609 55.300 -0.014 0.000 0.829 451 M CB 2.775 35.367 32.600 -0.012 0.000 1.727 451 M HN 0.562 nan 8.290 nan 0.000 0.459 452 T N -0.905 113.654 114.554 0.008 0.000 2.906 452 T HA 0.977 5.327 4.350 -0.000 0.000 0.295 452 T C -1.096 173.627 174.700 0.038 0.000 1.061 452 T CA -0.797 61.314 62.100 0.018 0.000 1.000 452 T CB 2.213 71.089 68.868 0.014 0.000 1.103 452 T HN 1.014 nan 8.240 nan 0.000 0.486 453 A N 1.951 124.802 122.820 0.052 0.000 2.599 453 A HA 0.793 5.113 4.320 -0.000 0.000 0.294 453 A C -3.289 174.345 177.584 0.083 0.000 1.055 453 A CA -1.470 50.612 52.037 0.075 0.000 0.683 453 A CB 0.352 19.410 19.000 0.097 0.000 1.278 453 A HN 0.685 nan 8.150 nan 0.000 0.412 454 P HA 0.414 nan 4.420 nan 0.000 0.269 454 P C 0.098 177.467 177.300 0.116 0.000 1.209 454 P CA 0.309 63.467 63.100 0.096 0.000 0.776 454 P CB 0.667 32.431 31.700 0.107 0.000 0.876 455 A N 3.072 125.955 122.820 0.105 0.000 2.498 455 A HA 0.082 4.402 4.320 -0.000 0.000 0.239 455 A C -0.252 177.418 177.584 0.143 0.000 1.068 455 A CA -0.075 52.041 52.037 0.131 0.000 0.766 455 A CB -0.619 18.447 19.000 0.109 0.000 1.003 455 A HN 0.582 nan 8.150 nan 0.000 0.497 456 Y N 2.375 122.683 120.300 0.013 0.000 2.597 456 Y HA 0.348 4.898 4.550 -0.000 0.000 0.336 456 Y C -0.223 175.687 175.900 0.018 0.000 1.216 456 Y CA 0.372 58.409 58.100 -0.105 0.000 1.463 456 Y CB 0.541 38.689 38.460 -0.520 0.000 1.303 456 Y HN 0.367 nan 8.280 nan 0.000 0.576 457 V N 9.060 128.554 119.914 -0.700 0.000 2.349 457 V HA 0.294 4.414 4.120 -0.000 0.000 0.284 457 V C -2.255 173.379 176.094 -0.766 0.000 1.014 457 V CA -2.134 59.849 62.300 -0.528 0.000 0.826 457 V CB 1.226 32.922 31.823 -0.211 0.000 1.009 457 V HN 0.744 nan 8.190 nan 0.000 0.431 458 P HA 0.221 nan 4.420 nan 0.000 0.262 458 P C 1.041 178.255 177.300 -0.144 0.000 1.182 458 P CA 1.474 64.433 63.100 -0.234 0.000 0.761 458 P CB 0.613 32.301 31.700 -0.020 0.000 0.795 459 G N 1.573 110.336 108.800 -0.062 0.000 2.232 459 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 459 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 459 G C 0.339 175.199 174.900 -0.066 0.000 0.996 459 G CA -0.083 44.993 45.100 -0.040 0.000 0.626 459 G HN 0.587 nan 8.290 nan 0.000 0.509 460 T N 1.933 116.408 114.554 -0.131 0.000 2.913 460 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 460 T C 0.134 174.737 174.700 -0.161 0.000 1.008 460 T CA 0.677 62.629 62.100 -0.246 0.000 1.067 460 T CB 1.555 70.116 68.868 -0.511 0.000 0.996 460 T HN 0.199 nan 8.240 nan 0.000 0.513 461 T N 2.909 117.326 114.554 -0.228 0.000 2.779 461 T HA 0.466 4.816 4.350 -0.000 0.000 0.280 461 T C -0.978 173.609 174.700 -0.188 0.000 0.987 461 T CA -0.359 61.708 62.100 -0.055 0.000 0.966 461 T CB 0.211 69.094 68.868 0.024 0.000 0.933 461 T HN 0.394 nan 8.240 nan 0.000 0.442 462 Y N 1.312 121.615 120.300 0.004 0.000 2.387 462 Y HA 0.616 5.166 4.550 -0.000 0.000 0.336 462 Y C 0.671 176.453 175.900 -0.196 0.000 1.067 462 Y CA -1.077 56.984 58.100 -0.064 0.000 1.114 462 Y CB 1.141 39.593 38.460 -0.014 0.000 1.208 462 Y HN 0.775 nan 8.280 nan 0.000 0.458 463 A N 2.338 125.132 122.820 -0.043 0.000 2.272 463 A HA 0.257 4.577 4.320 -0.000 0.000 0.275 463 A C -0.207 177.286 177.584 -0.153 0.000 1.096 463 A CA -0.729 51.202 52.037 -0.177 0.000 0.822 463 A CB 0.364 19.276 19.000 -0.148 0.000 1.088 463 A HN 0.798 nan 8.150 nan 0.000 0.495 464 Q N -0.452 119.251 119.800 -0.162 0.000 2.311 464 Q HA 0.381 4.721 4.340 -0.000 0.000 0.272 464 Q C 0.986 176.933 176.000 -0.088 0.000 1.012 464 Q CA 1.092 56.817 55.803 -0.130 0.000 0.891 464 Q CB 0.178 28.880 28.738 -0.060 0.000 1.201 464 Q HN 1.806 nan 8.270 nan 0.000 0.391 465 G N 2.127 110.869 108.800 -0.096 0.000 2.175 465 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 465 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 465 G C 0.124 175.025 174.900 0.001 0.000 0.982 465 G CA -0.043 45.034 45.100 -0.038 0.000 0.641 465 G HN 1.008 nan 8.290 nan 0.000 0.527 466 A N 0.074 122.894 122.820 0.001 0.000 2.425 466 A HA 0.701 5.021 4.320 -0.000 0.000 0.249 466 A C 0.346 178.030 177.584 0.167 0.000 1.084 466 A CA 0.318 52.420 52.037 0.109 0.000 0.781 466 A CB 0.327 19.463 19.000 0.227 0.000 1.019 466 A HN 0.954 nan 8.150 nan 0.000 0.490 467 L N 2.451 123.788 121.223 0.190 0.000 2.334 467 L HA 0.745 5.085 4.340 -0.000 0.000 0.276 467 L C -0.134 176.854 176.870 0.197 0.000 1.014 467 L CA -0.801 54.163 54.840 0.206 0.000 0.815 467 L CB 1.825 43.965 42.059 0.136 0.000 1.268 467 L HN 0.688 nan 8.230 nan 0.000 0.428 468 V N -1.005 119.014 119.914 0.174 0.000 3.147 468 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 468 V C -0.434 175.754 176.094 0.156 0.000 1.209 468 V CA -0.666 61.692 62.300 0.096 0.000 1.023 468 V CB 2.011 33.769 31.823 -0.109 0.000 1.059 468 V HN 0.776 nan 8.190 nan 0.000 0.435 469 S N 1.821 117.620 115.700 0.165 0.000 2.509 469 S HA 0.889 5.359 4.470 -0.000 0.000 0.297 469 S C -1.090 173.692 174.600 0.303 0.000 1.118 469 S CA -0.553 57.783 58.200 0.225 0.000 1.074 469 S CB 1.449 64.730 63.200 0.135 0.000 1.038 469 S HN 1.727 nan 8.310 nan 0.000 0.498 470 Y N 0.806 121.224 120.300 0.197 0.000 2.465 470 Y HA 0.247 4.797 4.550 -0.000 0.000 0.323 470 Y C -0.502 175.553 175.900 0.258 0.000 1.191 470 Y CA -0.593 57.555 58.100 0.080 0.000 1.082 470 Y CB 1.134 39.399 38.460 -0.325 0.000 1.334 470 Y HN 0.961 nan 8.280 nan 0.000 0.449 471 Q N 3.910 123.548 119.800 -0.269 0.000 2.435 471 Q HA -0.255 4.085 4.340 -0.000 0.000 0.286 471 Q C 1.085 177.091 176.000 0.010 0.000 1.229 471 Q CA 1.538 57.247 55.803 -0.156 0.000 0.884 471 Q CB -1.514 27.136 28.738 -0.146 0.000 1.245 471 Q HN 1.563 nan 8.270 nan 0.000 0.488 472 G N -2.332 106.425 108.800 -0.071 0.000 2.179 472 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 472 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 472 G C -0.281 174.331 174.900 -0.480 0.000 0.977 472 G CA 0.555 45.487 45.100 -0.280 0.000 0.641 472 G HN 0.397 nan 8.290 nan 0.000 0.533 473 Y N -1.316 118.974 120.300 -0.018 0.000 2.630 473 Y HA 0.679 5.229 4.550 0.000 0.000 0.337 473 Y C 0.359 176.146 175.900 -0.188 0.000 1.051 473 Y CA -1.165 56.790 58.100 -0.242 0.000 1.121 473 Y CB 2.038 40.109 38.460 -0.647 0.000 1.299 473 Y HN 0.081 nan 8.280 nan 0.000 0.498 474 V N 1.275 121.118 119.914 -0.119 0.000 2.435 474 V HA 0.339 4.459 4.120 -0.000 0.000 0.290 474 V C -1.267 174.744 176.094 -0.138 0.000 1.030 474 V CA -0.871 61.425 62.300 -0.006 0.000 0.881 474 V CB 0.660 32.487 31.823 0.007 0.000 0.983 474 V HN 0.648 nan 8.190 nan 0.000 0.445 475 W N 2.531 123.833 121.300 0.002 0.000 2.781 475 W HA 0.764 5.424 4.660 -0.000 0.000 0.345 475 W C -0.176 176.453 176.519 0.183 0.000 1.085 475 W CA -0.670 56.699 57.345 0.040 0.000 1.198 475 W CB 1.345 30.757 29.460 -0.079 0.000 1.423 475 W HN 0.441 nan 8.180 nan 0.000 0.532 476 Q N 0.851 120.920 119.800 0.448 0.000 2.372 476 Q HA 0.511 4.851 4.340 -0.000 0.000 0.273 476 Q C -0.372 175.680 176.000 0.087 0.000 1.078 476 Q CA -0.641 55.322 55.803 0.268 0.000 0.806 476 Q CB 2.136 30.940 28.738 0.109 0.000 1.332 476 Q HN 0.548 nan 8.270 nan 0.000 0.435 477 T N 0.279 114.682 114.554 -0.253 0.000 2.884 477 T HA 0.295 4.645 4.350 -0.000 0.000 0.298 477 T C 0.421 174.878 174.700 -0.405 0.000 0.998 477 T CA -0.451 61.257 62.100 -0.653 0.000 1.124 477 T CB 1.077 69.422 68.868 -0.871 0.000 0.931 477 T HN 0.691 nan 8.240 nan 0.000 0.531 478 K N 1.514 121.598 120.400 -0.528 0.000 2.361 478 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 478 K C -0.063 176.525 176.600 -0.019 0.000 1.039 478 K CA 0.119 56.259 56.287 -0.245 0.000 1.001 478 K CB 0.173 32.541 32.500 -0.219 0.000 0.795 478 K HN 0.851 nan 8.250 nan 0.000 0.495 479 W N -1.457 119.760 121.300 -0.138 0.000 2.940 479 W HA 0.618 5.278 4.660 0.000 0.000 0.394 479 W C -0.426 176.000 176.519 -0.154 0.000 1.155 479 W CA -1.400 55.880 57.345 -0.109 0.000 1.165 479 W CB -0.079 29.342 29.460 -0.065 0.000 1.492 479 W HN -0.182 nan 8.180 nan 0.000 0.593 480 G N -1.270 107.640 108.800 0.183 0.000 2.552 480 G HA2 0.510 4.470 3.960 -0.000 0.000 0.318 480 G HA3 0.510 4.470 3.960 -0.000 0.000 0.318 480 G C -1.288 173.659 174.900 0.079 0.000 1.240 480 G CA -0.897 44.163 45.100 -0.068 0.000 1.002 480 G HN 1.038 nan 8.290 nan 0.000 0.493 481 Y N -2.192 118.140 120.300 0.053 0.000 3.234 481 Y HA -0.163 4.387 4.550 -0.000 0.000 0.207 481 Y C 0.413 176.350 175.900 0.061 0.000 1.316 481 Y CA -0.395 57.739 58.100 0.058 0.000 1.309 481 Y CB -1.704 36.797 38.460 0.067 0.000 1.408 481 Y HN 0.191 nan 8.280 nan 0.000 0.544 482 I N 1.173 121.783 120.570 0.068 0.000 2.379 482 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 482 I C 1.387 177.614 176.117 0.183 0.000 1.063 482 I CA 0.483 61.788 61.300 0.010 0.000 1.351 482 I CB 0.928 38.711 38.000 -0.360 0.000 1.410 482 I HN 0.400 nan 8.210 nan 0.000 0.505 483 T N 0.607 115.275 114.554 0.190 0.000 3.085 483 T HA 0.193 4.543 4.350 -0.000 0.000 0.264 483 T C 0.667 175.515 174.700 0.246 0.000 1.019 483 T CA -0.284 61.947 62.100 0.217 0.000 0.910 483 T CB 0.354 69.314 68.868 0.153 0.000 1.059 483 T HN 0.427 nan 8.240 nan 0.000 0.542 484 S N 0.162 116.019 115.700 0.261 0.000 2.709 484 S HA 0.811 5.281 4.470 -0.000 0.000 0.302 484 S C -0.427 174.281 174.600 0.180 0.000 1.127 484 S CA -0.513 57.816 58.200 0.215 0.000 0.905 484 S CB 1.351 64.619 63.200 0.113 0.000 1.151 484 S HN 0.635 nan 8.310 nan 0.000 0.510 485 A N 2.131 124.826 122.820 -0.208 0.000 2.332 485 A HA 0.657 4.977 4.320 -0.000 0.000 0.258 485 A C -2.682 174.218 177.584 -1.140 0.000 1.087 485 A CA -1.371 49.993 52.037 -1.121 0.000 0.802 485 A CB -0.612 17.675 19.000 -1.189 0.000 1.042 485 A HN 0.582 nan 8.150 nan 0.000 0.489 486 P HA 0.276 nan 4.420 nan 0.000 0.268 486 P C 1.003 177.597 177.300 -1.177 0.000 1.204 486 P CA 1.885 63.780 63.100 -2.008 0.000 0.768 486 P CB 0.743 30.701 31.700 -2.902 0.000 0.842 487 G N 1.721 110.048 108.800 -0.788 0.000 2.253 487 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 487 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 487 G C 1.147 175.955 174.900 -0.154 0.000 0.998 487 G CA 0.639 45.540 45.100 -0.332 0.000 0.621 487 G HN 0.499 nan 8.290 nan 0.000 0.524 488 S N -0.662 114.929 115.700 -0.182 0.000 2.670 488 S HA 0.241 4.711 4.470 -0.000 0.000 0.241 488 S C 0.160 174.751 174.600 -0.015 0.000 1.077 488 S CA 0.465 58.621 58.200 -0.073 0.000 0.899 488 S CB 0.634 63.786 63.200 -0.081 0.000 0.835 488 S HN 0.536 nan 8.310 nan 0.000 0.481 489 D N 1.309 121.707 120.400 -0.003 0.000 2.303 489 D HA 0.349 4.989 4.640 -0.000 0.000 0.236 489 D C 0.167 176.519 176.300 0.086 0.000 1.068 489 D CA -0.075 53.972 54.000 0.079 0.000 0.830 489 D CB 1.641 42.520 40.800 0.131 0.000 1.109 489 D HN -0.051 nan 8.370 nan 0.000 0.496 490 S N 2.269 118.019 115.700 0.084 0.000 2.584 490 S HA -0.080 4.390 4.470 -0.000 0.000 0.240 490 S C 1.691 176.238 174.600 -0.089 0.000 0.975 490 S CA 0.646 58.898 58.200 0.086 0.000 0.949 490 S CB 0.111 63.422 63.200 0.184 0.000 0.761 490 S HN 0.627 nan 8.310 nan 0.000 0.536 491 A N 0.096 122.696 122.820 -0.368 0.000 2.119 491 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 491 A C 0.293 177.382 177.584 -0.824 0.000 1.153 491 A CA 0.094 51.436 52.037 -1.159 0.000 0.692 491 A CB -0.238 17.927 19.000 -1.392 0.000 0.799 491 A HN 0.559 nan 8.150 nan 0.000 0.458 492 W N -0.937 120.147 121.300 -0.359 0.000 2.365 492 W HA 0.546 5.206 4.660 -0.000 0.000 0.316 492 W C -0.330 176.188 176.519 -0.001 0.000 1.164 492 W CA -0.764 56.461 57.345 -0.201 0.000 1.204 492 W CB 0.941 30.241 29.460 -0.268 0.000 1.213 492 W HN 0.079 nan 8.180 nan 0.000 0.539 493 L N 4.168 125.579 121.223 0.314 0.000 2.333 493 L HA 0.402 4.742 4.340 -0.000 0.000 0.280 493 L C -0.100 176.875 176.870 0.175 0.000 1.004 493 L CA -1.364 53.591 54.840 0.192 0.000 0.820 493 L CB 1.125 43.218 42.059 0.057 0.000 1.247 493 L HN 0.345 nan 8.230 nan 0.000 0.416 494 K N 3.889 124.239 120.400 -0.083 0.000 2.378 494 K HA 0.284 4.604 4.320 -0.000 0.000 0.288 494 K C 0.454 176.829 176.600 -0.374 0.000 1.057 494 K CA 0.266 56.185 56.287 -0.613 0.000 0.971 494 K CB 0.549 32.391 32.500 -1.097 0.000 0.975 494 K HN 0.679 nan 8.250 nan 0.000 0.475 495 V N 0.744 120.495 119.914 -0.271 0.000 3.556 495 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 495 V C 0.453 176.463 176.094 -0.140 0.000 1.422 495 V CA 0.284 62.485 62.300 -0.165 0.000 1.038 495 V CB 0.489 32.268 31.823 -0.072 0.000 0.850 495 V HN 0.682 nan 8.190 nan 0.000 0.437 496 G N 0.929 109.636 108.800 -0.154 0.000 2.660 496 G HA2 0.685 4.645 3.960 -0.000 0.000 0.290 496 G HA3 0.685 4.645 3.960 -0.000 0.000 0.290 496 G C -1.223 173.649 174.900 -0.046 0.000 1.432 496 G CA -0.959 44.090 45.100 -0.085 0.000 0.807 496 G HN 0.576 nan 8.290 nan 0.000 0.485 497 R N -0.566 119.910 120.500 -0.039 0.000 2.873 497 R HA 0.817 5.157 4.340 -0.000 0.000 0.264 497 R C 0.435 176.652 176.300 -0.138 0.000 1.026 497 R CA -0.173 55.873 56.100 -0.091 0.000 1.002 497 R CB 1.699 31.953 30.300 -0.077 0.000 1.174 497 R HN 1.140 nan 8.270 nan 0.000 0.488 498 V N -1.482 118.291 119.914 -0.234 0.000 0.489 498 V HA -0.411 3.709 4.120 -0.000 0.000 0.092 498 V C 0.249 176.281 176.094 -0.104 0.000 2.367 498 V CA 2.718 64.917 62.300 -0.169 0.000 3.630 498 V CB -1.477 30.279 31.823 -0.111 0.000 0.914 498 V HN 1.353 nan 8.190 nan 0.000 0.957 499 A N 0.000 122.780 122.820 -0.067 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486