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 1qo5_1_P DATA FIRST_RESID 1 DATA SEQUENCE AHRFPALTQE QKKELSEIAQ SIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE TEENRRQFRE ILFSVDSSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANAL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAANK EATQEAFMKR AMANCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSLFTAC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.764 177.584 0.300 0.000 1.274 1 A CA 0.000 52.102 52.037 0.108 0.000 0.836 1 A CB 0.000 18.940 19.000 -0.100 0.000 0.831 2 H N -2.142 117.027 119.070 0.165 0.000 3.060 2 H HA 0.028 4.584 4.556 -0.000 0.000 0.222 2 H C 1.121 176.509 175.328 0.101 0.000 1.600 2 H CA 0.392 56.528 56.048 0.147 0.000 1.268 2 H CB -0.554 29.297 29.762 0.148 0.000 1.563 2 H HN 0.198 nan 8.280 nan 0.000 0.648 3 R N 1.104 121.771 120.500 0.278 0.000 2.548 3 R HA -0.154 4.186 4.340 -0.000 0.000 0.196 3 R C 0.253 176.573 176.300 0.033 0.000 0.941 3 R CA 2.180 58.303 56.100 0.040 0.000 0.752 3 R CB -1.301 28.951 30.300 -0.080 0.000 0.728 3 R HN 0.543 nan 8.270 nan 0.000 0.438 4 F N 1.880 121.816 119.950 -0.024 0.000 2.298 4 F HA -0.167 4.360 4.527 -0.000 0.000 0.144 4 F C -1.550 174.193 175.800 -0.094 0.000 1.051 4 F CA -0.044 57.925 58.000 -0.050 0.000 0.772 4 F CB -0.962 38.009 39.000 -0.047 0.000 0.643 4 F HN 0.355 nan 8.300 nan 0.000 0.807 5 P HA 0.067 nan 4.420 nan 0.000 0.266 5 P C 0.360 177.652 177.300 -0.013 0.000 1.195 5 P CA 0.452 63.537 63.100 -0.025 0.000 0.768 5 P CB 1.251 32.930 31.700 -0.035 0.000 0.838 6 A N 3.703 126.505 122.820 -0.030 0.000 2.119 6 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 6 A C 1.016 178.588 177.584 -0.020 0.000 1.152 6 A CA 0.877 52.912 52.037 -0.003 0.000 0.708 6 A CB -0.264 18.758 19.000 0.037 0.000 0.805 6 A HN 0.546 nan 8.150 nan 0.000 0.460 7 L N -1.069 120.123 121.223 -0.052 0.000 2.415 7 L HA 0.376 4.716 4.340 -0.000 0.000 0.256 7 L C 0.117 176.928 176.870 -0.099 0.000 1.010 7 L CA -0.867 53.919 54.840 -0.090 0.000 0.826 7 L CB 2.354 44.308 42.059 -0.175 0.000 1.405 7 L HN 0.210 nan 8.230 nan 0.000 0.410 8 T N -2.717 111.780 114.554 -0.095 0.000 2.824 8 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 8 T C 0.586 175.214 174.700 -0.119 0.000 0.975 8 T CA -0.446 61.604 62.100 -0.084 0.000 0.966 8 T CB 1.452 70.284 68.868 -0.059 0.000 1.054 8 T HN 0.512 nan 8.240 nan 0.000 0.533 9 Q N 0.248 119.997 119.800 -0.085 0.000 2.170 9 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 9 Q C 2.385 178.333 176.000 -0.087 0.000 0.976 9 Q CA 2.035 57.786 55.803 -0.086 0.000 0.858 9 Q CB -0.289 28.422 28.738 -0.046 0.000 0.907 9 Q HN 0.939 nan 8.270 nan 0.000 0.433 10 E N -0.469 119.691 120.200 -0.067 0.000 2.107 10 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 10 E C 1.679 178.237 176.600 -0.069 0.000 0.982 10 E CA 0.991 57.360 56.400 -0.052 0.000 0.809 10 E CB -0.268 29.412 29.700 -0.034 0.000 0.756 10 E HN 0.433 nan 8.360 nan 0.000 0.459 11 Q N 1.106 120.852 119.800 -0.091 0.000 2.096 11 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 11 Q C 2.111 178.018 176.000 -0.156 0.000 0.982 11 Q CA 1.918 57.661 55.803 -0.101 0.000 0.850 11 Q CB -0.143 28.535 28.738 -0.099 0.000 0.901 11 Q HN 0.266 nan 8.270 nan 0.000 0.422 12 K N 0.776 121.004 120.400 -0.287 0.000 2.148 12 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 12 K C 2.001 178.548 176.600 -0.087 0.000 1.050 12 K CA 0.926 56.933 56.287 -0.466 0.000 0.942 12 K CB -0.034 31.922 32.500 -0.908 0.000 0.724 12 K HN 0.068 nan 8.250 nan 0.000 0.446 13 K N 1.869 122.236 120.400 -0.055 0.000 2.057 13 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 13 K C 2.139 178.756 176.600 0.029 0.000 1.049 13 K CA 1.804 58.100 56.287 0.015 0.000 0.931 13 K CB 0.041 32.542 32.500 0.002 0.000 0.714 13 K HN 0.173 nan 8.250 nan 0.000 0.440 14 E N 0.634 120.836 120.200 0.003 0.000 2.077 14 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 14 E C 2.044 178.668 176.600 0.041 0.000 0.989 14 E CA 1.224 57.633 56.400 0.016 0.000 0.800 14 E CB -0.130 29.573 29.700 0.005 0.000 0.746 14 E HN 0.373 nan 8.360 nan 0.000 0.452 15 L N 0.531 121.788 121.223 0.056 0.000 2.093 15 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 15 L C 2.806 179.751 176.870 0.125 0.000 1.085 15 L CA 1.089 55.990 54.840 0.102 0.000 0.755 15 L CB -0.426 41.724 42.059 0.152 0.000 0.904 15 L HN 0.141 nan 8.230 nan 0.000 0.435 16 S N -0.472 115.334 115.700 0.176 0.000 2.423 16 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 16 S C 1.847 176.485 174.600 0.062 0.000 1.014 16 S CA 1.159 59.440 58.200 0.134 0.000 0.965 16 S CB -0.053 63.259 63.200 0.187 0.000 0.785 16 S HN 0.438 nan 8.310 nan 0.000 0.495 17 E N 0.357 120.590 120.200 0.055 0.000 2.107 17 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 17 E C 1.928 178.536 176.600 0.013 0.000 0.982 17 E CA 1.039 57.455 56.400 0.027 0.000 0.809 17 E CB -0.104 29.610 29.700 0.023 0.000 0.756 17 E HN 0.527 nan 8.360 nan 0.000 0.459 18 I N 1.138 121.721 120.570 0.022 0.000 2.142 18 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 18 I C 2.577 178.676 176.117 -0.030 0.000 1.078 18 I CA 0.975 62.281 61.300 0.011 0.000 1.343 18 I CB -0.392 37.634 38.000 0.043 0.000 1.046 18 I HN 0.097 nan 8.210 nan 0.000 0.405 19 A N 0.495 123.302 122.820 -0.020 0.000 1.869 19 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 19 A C 2.231 179.769 177.584 -0.077 0.000 1.203 19 A CA 2.114 54.116 52.037 -0.058 0.000 0.638 19 A CB -0.906 18.080 19.000 -0.023 0.000 0.831 19 A HN 0.534 nan 8.150 nan 0.000 0.450 20 Q N -0.063 119.711 119.800 -0.043 0.000 2.167 20 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 20 Q C 2.376 178.342 176.000 -0.058 0.000 0.970 20 Q CA 1.639 57.414 55.803 -0.046 0.000 0.855 20 Q CB -0.301 28.424 28.738 -0.022 0.000 0.911 20 Q HN 0.878 nan 8.270 nan 0.000 0.438 21 S N 0.674 116.343 115.700 -0.051 0.000 2.419 21 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 21 S C 1.887 176.438 174.600 -0.082 0.000 1.016 21 S CA 0.743 58.913 58.200 -0.049 0.000 0.974 21 S CB -0.414 62.767 63.200 -0.031 0.000 0.786 21 S HN 0.294 nan 8.310 nan 0.000 0.492 22 I N 1.860 122.352 120.570 -0.130 0.000 2.394 22 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 22 I C 1.857 177.865 176.117 -0.182 0.000 1.136 22 I CA 1.061 62.245 61.300 -0.192 0.000 1.425 22 I CB -0.162 37.634 38.000 -0.339 0.000 1.079 22 I HN 0.389 nan 8.210 nan 0.000 0.425 23 V N -2.803 117.022 119.914 -0.149 0.000 3.319 23 V HA 0.449 4.569 4.120 -0.000 0.000 0.317 23 V C 2.077 178.123 176.094 -0.081 0.000 1.411 23 V CA 0.245 62.459 62.300 -0.143 0.000 1.112 23 V CB -0.345 31.394 31.823 -0.140 0.000 1.031 23 V HN 0.171 nan 8.190 nan 0.000 0.448 24 A N 2.253 125.034 122.820 -0.064 0.000 1.896 24 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 24 A C 1.400 178.972 177.584 -0.020 0.000 1.206 24 A CA 2.747 54.763 52.037 -0.036 0.000 0.647 24 A CB -0.687 18.295 19.000 -0.030 0.000 0.828 24 A HN 0.739 nan 8.150 nan 0.000 0.455 25 N N -2.748 115.944 118.700 -0.013 0.000 2.622 25 N HA 0.447 5.187 4.740 -0.000 0.000 0.304 25 N C 0.201 175.725 175.510 0.023 0.000 1.844 25 N CA 0.623 53.676 53.050 0.006 0.000 0.886 25 N CB 1.265 39.757 38.487 0.008 0.000 1.366 25 N HN 0.680 nan 8.380 nan 0.000 0.491 26 G N 0.135 108.952 108.800 0.028 0.000 2.144 26 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 26 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 26 G C 0.032 174.984 174.900 0.087 0.000 0.988 26 G CA -0.430 44.710 45.100 0.067 0.000 0.659 26 G HN 0.241 nan 8.290 nan 0.000 0.522 27 K N 0.262 120.669 120.400 0.012 0.000 2.219 27 K HA 0.537 4.857 4.320 -0.000 0.000 0.258 27 K C 0.921 177.381 176.600 -0.233 0.000 1.008 27 K CA 0.615 56.886 56.287 -0.028 0.000 0.928 27 K CB 1.040 33.511 32.500 -0.049 0.000 0.983 27 K HN 0.359 nan 8.250 nan 0.000 0.484 28 G N 1.129 109.639 108.800 -0.484 0.000 3.086 28 G HA2 0.650 4.610 3.960 -0.000 0.000 0.282 28 G HA3 0.650 4.610 3.960 -0.000 0.000 0.282 28 G C -1.194 173.241 174.900 -0.773 0.000 1.343 28 G CA -0.712 43.531 45.100 -1.429 0.000 0.895 28 G HN 0.480 nan 8.290 nan 0.000 0.557 29 I N 0.034 120.115 120.570 -0.814 0.000 2.608 29 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 29 I C -1.257 174.915 176.117 0.092 0.000 1.049 29 I CA -0.839 60.337 61.300 -0.207 0.000 1.063 29 I CB 2.480 40.364 38.000 -0.194 0.000 1.248 29 I HN 0.344 nan 8.210 nan 0.000 0.424 30 L N 6.406 127.751 121.223 0.203 0.000 2.280 30 L HA 0.699 5.039 4.340 -0.000 0.000 0.287 30 L C -0.145 176.859 176.870 0.224 0.000 1.023 30 L CA -0.180 54.838 54.840 0.296 0.000 0.819 30 L CB 1.168 43.426 42.059 0.332 0.000 1.212 30 L HN 0.636 nan 8.230 nan 0.000 0.420 31 A N 4.857 127.816 122.820 0.230 0.000 2.798 31 A HA 0.676 4.996 4.320 -0.000 0.000 0.316 31 A C 0.719 178.394 177.584 0.151 0.000 1.506 31 A CA 0.119 52.268 52.037 0.186 0.000 1.162 31 A CB -0.174 18.939 19.000 0.188 0.000 1.138 31 A HN 1.104 nan 8.150 nan 0.000 0.532 32 A N 2.334 125.240 122.820 0.143 0.000 2.507 32 A HA 0.261 4.581 4.320 -0.000 0.000 0.270 32 A C 0.867 178.529 177.584 0.129 0.000 1.318 32 A CA 0.397 52.515 52.037 0.135 0.000 0.924 32 A CB -0.194 18.921 19.000 0.192 0.000 1.061 32 A HN 0.729 nan 8.150 nan 0.000 0.516 33 D N -0.082 120.384 120.400 0.109 0.000 2.324 33 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 33 D C -0.399 175.896 176.300 -0.010 0.000 1.095 33 D CA -0.083 53.988 54.000 0.118 0.000 0.871 33 D CB -0.265 40.608 40.800 0.122 0.000 0.906 33 D HN 0.374 nan 8.370 nan 0.000 0.522 34 E N 1.023 121.188 120.200 -0.058 0.000 2.529 34 E HA 0.092 4.442 4.350 -0.000 0.000 0.259 34 E C 0.653 176.960 176.600 -0.490 0.000 0.966 34 E CA 0.068 56.356 56.400 -0.187 0.000 0.937 34 E CB 0.514 30.148 29.700 -0.110 0.000 0.923 34 E HN 0.272 nan 8.360 nan 0.000 0.468 35 S N 1.373 116.664 115.700 -0.682 0.000 2.632 35 S HA 0.151 4.621 4.470 -0.000 0.000 0.267 35 S C 1.294 175.569 174.600 -0.542 0.000 1.193 35 S CA -0.799 56.636 58.200 -1.275 0.000 1.003 35 S CB 0.575 63.320 63.200 -0.759 0.000 1.073 35 S HN 0.288 nan 8.310 nan 0.000 0.553 36 V N 1.300 120.996 119.914 -0.365 0.000 2.295 36 V HA -0.076 4.044 4.120 -0.000 0.000 0.246 36 V C 2.698 178.738 176.094 -0.090 0.000 1.049 36 V CA 2.366 64.611 62.300 -0.093 0.000 1.024 36 V CB -1.829 30.022 31.823 0.046 0.000 0.648 36 V HN 1.024 nan 8.190 nan 0.000 0.447 37 G N -0.354 108.378 108.800 -0.114 0.000 2.414 37 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 37 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 37 G C 1.702 176.536 174.900 -0.110 0.000 1.188 37 G CA 1.482 46.525 45.100 -0.096 0.000 0.783 37 G HN 0.470 nan 8.290 nan 0.000 0.537 38 T N 1.163 115.630 114.554 -0.146 0.000 2.684 38 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 38 T C 2.338 176.972 174.700 -0.110 0.000 1.036 38 T CA 1.616 63.635 62.100 -0.135 0.000 1.148 38 T CB -0.256 68.519 68.868 -0.156 0.000 0.863 38 T HN 0.125 nan 8.240 nan 0.000 0.436 39 M N 1.727 121.254 119.600 -0.121 0.000 2.106 39 M HA 0.003 4.483 4.480 -0.000 0.000 0.259 39 M C 2.350 178.614 176.300 -0.061 0.000 1.068 39 M CA 1.542 56.793 55.300 -0.080 0.000 1.100 39 M CB -1.194 31.372 32.600 -0.056 0.000 1.351 39 M HN 0.311 nan 8.290 nan 0.000 0.404 40 G N -0.503 108.263 108.800 -0.056 0.000 2.432 40 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 40 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 40 G C 1.429 176.297 174.900 -0.053 0.000 1.135 40 G CA 1.003 46.078 45.100 -0.041 0.000 0.767 40 G HN 0.486 nan 8.290 nan 0.000 0.550 41 N N 0.475 119.134 118.700 -0.069 0.000 2.244 41 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 41 N C 2.298 177.769 175.510 -0.064 0.000 1.016 41 N CA 0.572 53.579 53.050 -0.071 0.000 0.866 41 N CB -0.160 38.273 38.487 -0.091 0.000 0.980 41 N HN 0.232 nan 8.380 nan 0.000 0.430 42 R N 0.598 121.057 120.500 -0.068 0.000 2.093 42 R HA 0.144 4.484 4.340 -0.000 0.000 0.224 42 R C 2.265 178.518 176.300 -0.078 0.000 1.101 42 R CA 0.284 56.340 56.100 -0.074 0.000 0.979 42 R CB -0.826 29.418 30.300 -0.095 0.000 0.877 42 R HN 0.280 nan 8.270 nan 0.000 0.441 43 L N 1.034 122.216 121.223 -0.068 0.000 2.141 43 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 43 L C 2.602 179.445 176.870 -0.046 0.000 1.094 43 L CA 0.889 55.702 54.840 -0.045 0.000 0.763 43 L CB -0.414 41.641 42.059 -0.007 0.000 0.908 43 L HN 0.066 nan 8.230 nan 0.000 0.437 44 Q N 0.764 120.537 119.800 -0.045 0.000 2.152 44 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 44 Q C 2.210 178.184 176.000 -0.045 0.000 0.985 44 Q CA 1.669 57.446 55.803 -0.044 0.000 0.863 44 Q CB -0.187 28.525 28.738 -0.043 0.000 0.904 44 Q HN 0.288 nan 8.270 nan 0.000 0.422 45 R N -0.229 120.244 120.500 -0.045 0.000 2.096 45 R HA -0.137 4.203 4.340 -0.000 0.000 0.240 45 R C 1.917 178.192 176.300 -0.041 0.000 1.139 45 R CA 1.758 57.834 56.100 -0.039 0.000 0.952 45 R CB -0.502 29.776 30.300 -0.036 0.000 0.854 45 R HN 0.500 nan 8.270 nan 0.000 0.436 46 I N -1.090 119.451 120.570 -0.048 0.000 3.806 46 I HA 0.153 4.323 4.170 -0.000 0.000 0.321 46 I C -0.623 175.448 176.117 -0.077 0.000 1.315 46 I CA -0.128 61.138 61.300 -0.057 0.000 1.148 46 I CB -0.129 37.839 38.000 -0.054 0.000 1.028 46 I HN -0.080 nan 8.210 nan 0.000 0.415 47 K N 0.818 121.179 120.400 -0.066 0.000 3.490 47 K HA -0.121 4.199 4.320 -0.000 0.000 0.273 47 K C -0.672 175.874 176.600 -0.090 0.000 0.916 47 K CA 0.251 56.498 56.287 -0.068 0.000 0.718 47 K CB -1.516 30.947 32.500 -0.061 0.000 1.477 47 K HN 0.371 nan 8.250 nan 0.000 0.452 48 V N 1.016 120.875 119.914 -0.092 0.000 2.555 48 V HA 0.146 4.266 4.120 -0.000 0.000 0.302 48 V C 0.458 176.525 176.094 -0.045 0.000 1.038 48 V CA -0.823 61.414 62.300 -0.105 0.000 0.887 48 V CB 1.731 33.461 31.823 -0.155 0.000 0.991 48 V HN 0.437 nan 8.190 nan 0.000 0.434 49 E N 3.971 124.150 120.200 -0.034 0.000 2.376 49 E HA 0.009 4.359 4.350 -0.000 0.000 0.266 49 E C 0.300 176.911 176.600 0.018 0.000 1.009 49 E CA -0.182 56.212 56.400 -0.009 0.000 0.902 49 E CB 0.459 30.154 29.700 -0.008 0.000 0.972 49 E HN 0.724 nan 8.360 nan 0.000 0.439 50 N N 4.147 122.856 118.700 0.015 0.000 2.670 50 N HA -0.039 4.701 4.740 -0.000 0.000 0.296 50 N C -0.928 174.610 175.510 0.046 0.000 1.216 50 N CA 0.033 53.101 53.050 0.030 0.000 1.123 50 N CB 0.258 38.752 38.487 0.012 0.000 1.459 50 N HN 0.426 nan 8.380 nan 0.000 0.509 51 T N 0.780 115.374 114.554 0.067 0.000 2.934 51 T HA 0.040 4.390 4.350 -0.000 0.000 0.283 51 T C 1.234 175.993 174.700 0.098 0.000 1.005 51 T CA -0.553 61.592 62.100 0.074 0.000 1.041 51 T CB 1.734 70.645 68.868 0.072 0.000 1.042 51 T HN 0.509 nan 8.240 nan 0.000 0.505 52 E N 1.314 121.573 120.200 0.099 0.000 2.150 52 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 52 E C 1.570 178.250 176.600 0.132 0.000 0.985 52 E CA 1.220 57.693 56.400 0.122 0.000 0.814 52 E CB 0.113 29.881 29.700 0.113 0.000 0.752 52 E HN 0.617 nan 8.360 nan 0.000 0.466 53 E N 0.897 121.168 120.200 0.118 0.000 2.072 53 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 53 E C 1.740 178.444 176.600 0.173 0.000 0.985 53 E CA 1.476 57.954 56.400 0.129 0.000 0.801 53 E CB -0.143 29.619 29.700 0.103 0.000 0.750 53 E HN 0.225 nan 8.360 nan 0.000 0.452 54 N N 0.295 119.107 118.700 0.187 0.000 2.142 54 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 54 N C 1.788 177.473 175.510 0.292 0.000 1.023 54 N CA 1.041 54.264 53.050 0.288 0.000 0.852 54 N CB -0.202 38.428 38.487 0.239 0.000 0.998 54 N HN 0.183 nan 8.380 nan 0.000 0.424 55 R N 0.782 121.400 120.500 0.196 0.000 2.080 55 R HA -0.052 4.288 4.340 -0.000 0.000 0.236 55 R C 2.281 178.665 176.300 0.139 0.000 1.137 55 R CA 0.970 57.168 56.100 0.162 0.000 0.943 55 R CB -0.301 30.090 30.300 0.151 0.000 0.846 55 R HN 0.230 nan 8.270 nan 0.000 0.431 56 R N 1.275 121.882 120.500 0.179 0.000 2.096 56 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 56 R C 2.118 178.520 176.300 0.171 0.000 1.127 56 R CA 1.680 57.926 56.100 0.243 0.000 0.968 56 R CB -0.050 30.402 30.300 0.253 0.000 0.861 56 R HN 0.352 nan 8.270 nan 0.000 0.440 57 Q N -0.594 119.294 119.800 0.146 0.000 1.993 57 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 57 Q C 1.932 177.826 176.000 -0.177 0.000 0.984 57 Q CA 2.098 57.961 55.803 0.099 0.000 0.837 57 Q CB -0.282 28.633 28.738 0.295 0.000 0.902 57 Q HN 0.310 nan 8.270 nan 0.000 0.423 58 F N 1.245 120.881 119.950 -0.523 0.000 2.126 58 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 58 F C 2.071 177.392 175.800 -0.799 0.000 1.096 58 F CA 1.547 58.909 58.000 -1.063 0.000 1.255 58 F CB 0.016 38.290 39.000 -1.209 0.000 0.997 58 F HN -0.102 nan 8.300 nan 0.000 0.479 59 R N 0.058 120.093 120.500 -0.775 0.000 2.115 59 R HA -0.172 4.168 4.340 -0.000 0.000 0.230 59 R C 2.254 177.569 176.300 -1.643 0.000 1.111 59 R CA 1.420 56.738 56.100 -1.303 0.000 0.976 59 R CB -0.525 29.230 30.300 -0.909 0.000 0.870 59 R HN 0.441 nan 8.270 nan 0.000 0.445 60 E N 0.985 120.615 120.200 -0.950 0.000 2.085 60 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 60 E C 1.785 178.087 176.600 -0.498 0.000 0.994 60 E CA 1.244 57.326 56.400 -0.531 0.000 0.801 60 E CB -0.024 29.661 29.700 -0.024 0.000 0.743 60 E HN 0.276 nan 8.360 nan 0.000 0.453 61 I N 0.752 120.959 120.570 -0.605 0.000 2.127 61 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 61 I C 2.410 178.221 176.117 -0.510 0.000 1.075 61 I CA 1.053 62.056 61.300 -0.494 0.000 1.334 61 I CB -0.268 37.417 38.000 -0.523 0.000 1.040 61 I HN 0.197 nan 8.210 nan 0.000 0.405 62 L N -0.140 120.557 121.223 -0.876 0.000 1.990 62 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 62 L C 2.477 179.172 176.870 -0.292 0.000 1.072 62 L CA 1.812 56.202 54.840 -0.751 0.000 0.755 62 L CB -0.781 40.565 42.059 -1.188 0.000 0.889 62 L HN 0.233 nan 8.230 nan 0.000 0.432 63 F N -0.459 119.271 119.950 -0.367 0.000 2.661 63 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 63 F C 2.356 178.103 175.800 -0.087 0.000 1.137 63 F CA 0.294 58.170 58.000 -0.207 0.000 1.454 63 F CB -0.351 38.475 39.000 -0.288 0.000 1.103 63 F HN 0.139 nan 8.300 nan 0.000 0.577 64 S N -0.519 115.195 115.700 0.024 0.000 2.634 64 S HA 0.144 4.614 4.470 -0.000 0.000 0.221 64 S C 0.418 175.051 174.600 0.054 0.000 0.952 64 S CA -0.378 57.857 58.200 0.058 0.000 0.930 64 S CB -0.767 62.452 63.200 0.032 0.000 0.780 64 S HN 0.090 nan 8.310 nan 0.000 0.498 65 V N 2.262 122.220 119.914 0.074 0.000 3.237 65 V HA 0.133 4.253 4.120 -0.000 0.000 0.305 65 V C 0.481 176.613 176.094 0.063 0.000 1.096 65 V CA -0.342 62.005 62.300 0.078 0.000 1.130 65 V CB 0.860 32.777 31.823 0.156 0.000 1.048 65 V HN 0.512 nan 8.190 nan 0.000 0.484 66 D N 2.675 123.100 120.400 0.041 0.000 2.472 66 D HA -0.027 4.613 4.640 -0.000 0.000 0.237 66 D C 1.281 177.596 176.300 0.025 0.000 1.141 66 D CA 1.031 55.047 54.000 0.028 0.000 0.875 66 D CB 1.471 42.280 40.800 0.014 0.000 1.192 66 D HN 0.602 nan 8.370 nan 0.000 0.450 67 S N 1.788 117.503 115.700 0.024 0.000 2.400 67 S HA -0.259 4.211 4.470 -0.000 0.000 0.234 67 S C 1.983 176.589 174.600 0.010 0.000 1.049 67 S CA 1.784 59.997 58.200 0.021 0.000 1.039 67 S CB -0.284 62.926 63.200 0.017 0.000 0.856 67 S HN 0.698 nan 8.310 nan 0.000 0.465 68 S N 1.305 117.006 115.700 0.002 0.000 2.423 68 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 68 S C 1.638 176.226 174.600 -0.021 0.000 1.028 68 S CA 1.191 59.385 58.200 -0.009 0.000 1.000 68 S CB -0.685 62.507 63.200 -0.014 0.000 0.797 68 S HN 0.415 nan 8.310 nan 0.000 0.487 69 I N 4.572 125.126 120.570 -0.027 0.000 2.315 69 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 69 I C 1.753 177.862 176.117 -0.013 0.000 1.125 69 I CA 1.520 62.790 61.300 -0.049 0.000 1.392 69 I CB -0.893 37.092 38.000 -0.025 0.000 1.065 69 I HN 0.587 nan 8.210 nan 0.000 0.424 70 N N 0.050 118.753 118.700 0.005 0.000 2.571 70 N HA -0.163 4.577 4.740 -0.000 0.000 0.189 70 N C 1.348 176.862 175.510 0.007 0.000 1.154 70 N CA 0.798 53.856 53.050 0.012 0.000 0.907 70 N CB -0.758 37.738 38.487 0.014 0.000 0.977 70 N HN 0.550 nan 8.380 nan 0.000 0.449 71 Q N -0.433 119.368 119.800 0.002 0.000 2.230 71 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 71 Q C 0.951 176.962 176.000 0.019 0.000 0.963 71 Q CA 1.335 57.141 55.803 0.005 0.000 0.866 71 Q CB 0.143 28.880 28.738 -0.001 0.000 0.931 71 Q HN 0.434 nan 8.270 nan 0.000 0.452 72 S N -0.431 115.283 115.700 0.025 0.000 2.527 72 S HA 0.161 4.631 4.470 -0.000 0.000 0.227 72 S C 0.474 175.160 174.600 0.144 0.000 1.059 72 S CA -0.069 58.177 58.200 0.077 0.000 0.919 72 S CB 0.784 64.001 63.200 0.029 0.000 0.805 72 S HN 0.102 nan 8.310 nan 0.000 0.500 73 I N 2.336 122.953 120.570 0.078 0.000 2.330 73 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 73 I C 1.329 177.457 176.117 0.018 0.000 1.001 73 I CA -0.274 61.079 61.300 0.088 0.000 1.193 73 I CB 0.667 38.749 38.000 0.136 0.000 1.345 73 I HN 0.215 nan 8.210 nan 0.000 0.461 74 G N 4.432 113.200 108.800 -0.054 0.000 2.603 74 G HA2 0.383 4.343 3.960 -0.000 0.000 0.214 74 G HA3 0.383 4.343 3.960 -0.000 0.000 0.214 74 G C 0.594 175.461 174.900 -0.054 0.000 1.140 74 G CA 0.458 45.514 45.100 -0.073 0.000 0.800 74 G HN 0.784 nan 8.290 nan 0.000 0.533 75 G N -1.829 106.953 108.800 -0.030 0.000 2.576 75 G HA2 0.474 4.434 3.960 -0.000 0.000 0.290 75 G HA3 0.474 4.434 3.960 -0.000 0.000 0.290 75 G C -2.262 172.723 174.900 0.142 0.000 1.442 75 G CA -0.371 44.771 45.100 0.071 0.000 0.792 75 G HN 0.438 nan 8.290 nan 0.000 0.491 76 V N 0.893 120.948 119.914 0.234 0.000 2.668 76 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 76 V C -0.324 175.839 176.094 0.115 0.000 1.071 76 V CA -0.562 61.821 62.300 0.138 0.000 0.894 76 V CB 1.679 33.477 31.823 -0.041 0.000 1.008 76 V HN 0.703 nan 8.190 nan 0.000 0.425 77 I N 5.793 126.453 120.570 0.149 0.000 2.342 77 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 77 I C -0.322 175.788 176.117 -0.011 0.000 1.010 77 I CA -0.137 61.177 61.300 0.023 0.000 1.308 77 I CB 0.855 38.924 38.000 0.114 0.000 1.400 77 I HN 0.340 nan 8.210 nan 0.000 0.488 78 L N 5.252 126.420 121.223 -0.090 0.000 2.304 78 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 78 L C -0.571 176.360 176.870 0.101 0.000 1.010 78 L CA -0.815 54.034 54.840 0.015 0.000 0.813 78 L CB 1.853 43.873 42.059 -0.064 0.000 1.315 78 L HN 0.409 nan 8.230 nan 0.000 0.445 79 F N -0.374 119.594 119.950 0.030 0.000 2.425 79 F HA 0.286 4.813 4.527 -0.000 0.000 0.331 79 F C 1.581 177.473 175.800 0.152 0.000 1.085 79 F CA -0.222 57.822 58.000 0.073 0.000 1.028 79 F CB 0.714 39.766 39.000 0.087 0.000 1.177 79 F HN 0.473 nan 8.300 nan 0.000 0.487 80 H N 3.432 122.153 119.070 -0.582 0.000 2.400 80 H HA -0.235 4.321 4.556 -0.000 0.000 0.295 80 H C 1.834 177.096 175.328 -0.110 0.000 1.118 80 H CA 2.583 58.462 56.048 -0.281 0.000 1.256 80 H CB 0.058 29.628 29.762 -0.320 0.000 1.365 80 H HN 0.892 nan 8.280 nan 0.000 0.502 81 E N -0.129 119.966 120.200 -0.174 0.000 2.017 81 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 81 E C 1.926 178.649 176.600 0.205 0.000 0.997 81 E CA 2.000 58.464 56.400 0.106 0.000 0.804 81 E CB -0.241 29.549 29.700 0.151 0.000 0.757 81 E HN 0.418 nan 8.360 nan 0.000 0.448 82 T N 1.666 116.368 114.554 0.246 0.000 2.778 82 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 82 T C 1.795 176.621 174.700 0.211 0.000 1.050 82 T CA 1.282 63.573 62.100 0.319 0.000 1.137 82 T CB -0.308 68.774 68.868 0.357 0.000 0.860 82 T HN 0.133 nan 8.240 nan 0.000 0.468 83 L N -0.135 121.102 121.223 0.024 0.000 2.376 83 L HA 0.098 4.438 4.340 -0.000 0.000 0.219 83 L C 0.873 177.406 176.870 -0.562 0.000 1.133 83 L CA 1.373 56.044 54.840 -0.281 0.000 0.816 83 L CB -0.410 41.380 42.059 -0.449 0.000 0.933 83 L HN 0.285 nan 8.230 nan 0.000 0.449 84 Y N -1.425 118.852 120.300 -0.038 0.000 2.660 84 Y HA 0.364 4.914 4.550 -0.000 0.000 0.254 84 Y C 0.695 176.555 175.900 -0.067 0.000 1.176 84 Y CA -0.618 57.448 58.100 -0.056 0.000 1.195 84 Y CB 0.029 38.449 38.460 -0.067 0.000 1.190 84 Y HN 0.163 nan 8.280 nan 0.000 0.535 85 Q N 0.710 120.502 119.800 -0.015 0.000 2.205 85 Q HA 0.446 4.786 4.340 -0.000 0.000 0.249 85 Q C -0.556 175.037 176.000 -0.677 0.000 0.948 85 Q CA -0.688 54.995 55.803 -0.199 0.000 0.895 85 Q CB 1.701 30.415 28.738 -0.041 0.000 1.249 85 Q HN 0.155 nan 8.270 nan 0.000 0.458 86 K N 0.584 120.562 120.400 -0.703 0.000 2.281 86 K HA 0.271 4.591 4.320 -0.000 0.000 0.242 86 K C -0.856 175.273 176.600 -0.785 0.000 0.971 86 K CA -0.924 54.921 56.287 -0.736 0.000 0.834 86 K CB 1.218 33.545 32.500 -0.288 0.000 1.181 86 K HN 0.471 nan 8.250 nan 0.000 0.435 87 D N 0.124 120.283 120.400 -0.402 0.000 2.300 87 D HA -0.037 4.603 4.640 -0.000 0.000 0.235 87 D C 0.592 176.895 176.300 0.005 0.000 1.338 87 D CA 0.550 54.569 54.000 0.031 0.000 0.903 87 D CB 0.608 41.418 40.800 0.016 0.000 1.180 87 D HN 0.322 nan 8.370 nan 0.000 0.485 88 S N -0.453 115.284 115.700 0.062 0.000 2.603 88 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 88 S C 0.922 175.536 174.600 0.024 0.000 0.972 88 S CA 0.581 58.806 58.200 0.042 0.000 0.935 88 S CB -0.027 63.208 63.200 0.057 0.000 0.769 88 S HN 0.298 nan 8.310 nan 0.000 0.536 89 Q N -0.689 119.120 119.800 0.015 0.000 2.112 89 Q HA 0.350 4.690 4.340 -0.000 0.000 0.222 89 Q C 0.929 176.924 176.000 -0.009 0.000 0.798 89 Q CA 0.216 56.024 55.803 0.009 0.000 1.060 89 Q CB 1.175 29.923 28.738 0.017 0.000 1.184 89 Q HN 0.377 nan 8.270 nan 0.000 0.475 90 G N 1.286 110.067 108.800 -0.033 0.000 2.143 90 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 90 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 90 G C 0.003 174.873 174.900 -0.051 0.000 0.991 90 G CA 0.379 45.450 45.100 -0.048 0.000 0.689 90 G HN 0.209 nan 8.290 nan 0.000 0.522 91 K N 0.483 120.856 120.400 -0.045 0.000 2.201 91 K HA 0.597 4.917 4.320 -0.000 0.000 0.278 91 K C 0.897 177.447 176.600 -0.083 0.000 1.027 91 K CA -0.933 55.334 56.287 -0.033 0.000 0.909 91 K CB 0.357 32.862 32.500 0.009 0.000 1.062 91 K HN 0.180 nan 8.250 nan 0.000 0.465 92 L N 5.388 126.563 121.223 -0.081 0.000 2.499 92 L HA -0.035 4.305 4.340 -0.000 0.000 0.273 92 L C 1.066 177.917 176.870 -0.032 0.000 1.195 92 L CA -0.288 54.475 54.840 -0.128 0.000 0.882 92 L CB 0.057 42.060 42.059 -0.094 0.000 1.133 92 L HN 0.755 nan 8.230 nan 0.000 0.483 93 F N 2.054 122.011 119.950 0.011 0.000 2.120 93 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 93 F C 2.504 178.241 175.800 -0.105 0.000 1.095 93 F CA 1.712 59.730 58.000 0.028 0.000 1.249 93 F CB -0.717 38.364 39.000 0.137 0.000 0.995 93 F HN 0.577 nan 8.300 nan 0.000 0.480 94 R N 0.560 121.090 120.500 0.049 0.000 2.105 94 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 94 R C 1.717 177.981 176.300 -0.061 0.000 1.135 94 R CA 1.855 57.903 56.100 -0.085 0.000 0.967 94 R CB -0.687 29.511 30.300 -0.170 0.000 0.861 94 R HN 0.190 nan 8.270 nan 0.000 0.442 95 N N 1.106 119.788 118.700 -0.030 0.000 2.142 95 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 95 N C 1.942 177.459 175.510 0.012 0.000 1.023 95 N CA 1.437 54.478 53.050 -0.014 0.000 0.852 95 N CB -0.189 38.291 38.487 -0.012 0.000 0.998 95 N HN 0.295 nan 8.380 nan 0.000 0.424 96 I N 0.978 121.580 120.570 0.053 0.000 2.226 96 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 96 I C 1.972 178.106 176.117 0.029 0.000 1.100 96 I CA 0.811 62.154 61.300 0.071 0.000 1.374 96 I CB -0.221 37.875 38.000 0.160 0.000 1.057 96 I HN 0.055 nan 8.210 nan 0.000 0.413 97 L N 0.414 121.621 121.223 -0.026 0.000 2.046 97 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 97 L C 2.579 179.426 176.870 -0.038 0.000 1.077 97 L CA 1.454 56.247 54.840 -0.077 0.000 0.747 97 L CB -0.534 41.396 42.059 -0.215 0.000 0.896 97 L HN 0.160 nan 8.230 nan 0.000 0.432 98 K N 0.303 120.682 120.400 -0.035 0.000 2.026 98 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 98 K C 2.028 178.626 176.600 -0.004 0.000 1.048 98 K CA 1.491 57.767 56.287 -0.019 0.000 0.929 98 K CB 0.010 32.495 32.500 -0.025 0.000 0.713 98 K HN 0.251 nan 8.250 nan 0.000 0.439 99 E N 0.270 120.471 120.200 0.002 0.000 2.110 99 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 99 E C 1.079 177.686 176.600 0.012 0.000 0.988 99 E CA 1.430 57.835 56.400 0.009 0.000 0.804 99 E CB 0.075 29.785 29.700 0.016 0.000 0.745 99 E HN 0.379 nan 8.360 nan 0.000 0.458 100 K N -0.433 119.976 120.400 0.015 0.000 2.522 100 K HA 0.192 4.512 4.320 -0.000 0.000 0.194 100 K C 0.819 177.428 176.600 0.014 0.000 1.026 100 K CA 0.515 56.813 56.287 0.019 0.000 1.119 100 K CB 0.363 32.881 32.500 0.030 0.000 0.856 100 K HN 0.114 nan 8.250 nan 0.000 0.513 101 G N 1.835 110.640 108.800 0.008 0.000 2.176 101 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 101 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 101 G C -0.119 174.785 174.900 0.007 0.000 1.024 101 G CA -0.130 44.975 45.100 0.007 0.000 0.755 101 G HN 0.409 nan 8.290 nan 0.000 0.507 102 I N 0.942 121.515 120.570 0.006 0.000 2.312 102 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 102 I C 0.918 177.047 176.117 0.020 0.000 1.008 102 I CA -1.187 60.119 61.300 0.010 0.000 1.226 102 I CB 1.548 39.550 38.000 0.005 0.000 1.371 102 I HN -0.104 nan 8.210 nan 0.000 0.468 103 V N 7.113 127.057 119.914 0.050 0.000 2.740 103 V HA 0.108 4.228 4.120 -0.000 0.000 0.303 103 V C 0.372 176.576 176.094 0.184 0.000 1.054 103 V CA -0.410 61.955 62.300 0.109 0.000 1.106 103 V CB 1.326 33.240 31.823 0.152 0.000 0.957 103 V HN 0.406 nan 8.190 nan 0.000 0.486 104 V N 3.441 123.409 119.914 0.091 0.000 2.435 104 V HA 0.805 4.925 4.120 -0.000 0.000 0.290 104 V C 0.639 176.492 176.094 -0.401 0.000 1.030 104 V CA 0.063 62.307 62.300 -0.093 0.000 0.881 104 V CB 1.562 33.291 31.823 -0.155 0.000 0.983 104 V HN 1.081 nan 8.190 nan 0.000 0.445 105 G N 3.334 111.607 108.800 -0.878 0.000 2.537 105 G HA2 0.734 4.694 3.960 -0.000 0.000 0.308 105 G HA3 0.734 4.694 3.960 -0.000 0.000 0.308 105 G C -1.694 172.732 174.900 -0.791 0.000 1.237 105 G CA -0.589 43.489 45.100 -1.704 0.000 0.968 105 G HN 0.532 nan 8.290 nan 0.000 0.481 106 I N -0.203 119.988 120.570 -0.632 0.000 2.509 106 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 106 I C 0.144 176.140 176.117 -0.202 0.000 1.020 106 I CA -1.391 59.654 61.300 -0.425 0.000 1.088 106 I CB 1.953 39.519 38.000 -0.723 0.000 1.267 106 I HN 0.418 nan 8.210 nan 0.000 0.430 107 K N 6.536 126.899 120.400 -0.062 0.000 2.412 107 K HA 0.192 4.512 4.320 -0.000 0.000 0.284 107 K C -0.081 176.560 176.600 0.068 0.000 1.046 107 K CA 0.219 56.536 56.287 0.050 0.000 0.999 107 K CB 0.421 33.006 32.500 0.142 0.000 0.941 107 K HN 0.787 nan 8.250 nan 0.000 0.474 108 L N 2.729 124.029 121.223 0.128 0.000 2.537 108 L HA 0.067 4.407 4.340 -0.000 0.000 0.224 108 L C 0.448 177.398 176.870 0.133 0.000 1.065 108 L CA -0.248 54.738 54.840 0.243 0.000 0.860 108 L CB 0.066 42.413 42.059 0.480 0.000 1.086 108 L HN 0.760 nan 8.230 nan 0.000 0.482 109 D N -0.364 119.935 120.400 -0.167 0.000 2.357 109 D HA -0.019 4.621 4.640 -0.000 0.000 0.242 109 D C 0.110 176.132 176.300 -0.464 0.000 1.153 109 D CA 0.019 53.517 54.000 -0.837 0.000 0.918 109 D CB 0.675 40.608 40.800 -1.444 0.000 1.181 109 D HN -0.001 nan 8.370 nan 0.000 0.435 110 Q N 0.403 119.921 119.800 -0.471 0.000 2.217 110 Q HA 0.418 4.758 4.340 -0.000 0.000 0.340 110 Q C -0.242 175.641 176.000 -0.196 0.000 0.893 110 Q CA -0.387 55.290 55.803 -0.210 0.000 1.142 110 Q CB 1.033 29.709 28.738 -0.104 0.000 1.288 110 Q HN 0.845 nan 8.270 nan 0.000 0.426 111 G N -0.389 108.255 108.800 -0.260 0.000 2.730 111 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.686 111 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.686 111 G C 0.024 174.824 174.900 -0.167 0.000 1.343 111 G CA -0.754 44.236 45.100 -0.184 0.000 0.826 111 G HN 0.386 nan 8.290 nan 0.000 0.582 112 G N -0.710 108.021 108.800 -0.115 0.000 2.616 112 G HA2 0.893 4.853 3.960 -0.000 0.000 0.268 112 G HA3 0.893 4.853 3.960 -0.000 0.000 0.268 112 G C 0.249 175.121 174.900 -0.047 0.000 1.213 112 G CA 0.514 45.568 45.100 -0.077 0.000 0.926 112 G HN 2.270 nan 8.290 nan 0.000 0.523 113 A N 0.868 123.675 122.820 -0.022 0.000 2.459 113 A HA 0.762 5.082 4.320 -0.000 0.000 0.296 113 A C -2.877 174.709 177.584 0.002 0.000 1.039 113 A CA -1.230 50.804 52.037 -0.006 0.000 0.698 113 A CB 2.223 21.227 19.000 0.006 0.000 1.261 113 A HN 0.543 nan 8.150 nan 0.000 0.405 114 P HA 0.290 nan 4.420 nan 0.000 0.281 114 P C -0.904 176.402 177.300 0.011 0.000 1.252 114 P CA -0.178 62.924 63.100 0.004 0.000 0.778 114 P CB 1.020 32.720 31.700 0.001 0.000 0.895 115 L N 3.723 124.954 121.223 0.013 0.000 2.259 115 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 115 L C 0.723 177.601 176.870 0.014 0.000 1.051 115 L CA -0.806 54.044 54.840 0.017 0.000 0.824 115 L CB -0.121 41.950 42.059 0.019 0.000 1.206 115 L HN 0.442 nan 8.230 nan 0.000 0.429 116 A N 3.240 126.068 122.820 0.014 0.000 2.462 116 A HA 0.507 4.827 4.320 -0.000 0.000 0.243 116 A C 1.169 178.760 177.584 0.012 0.000 1.076 116 A CA 0.465 52.509 52.037 0.012 0.000 0.773 116 A CB -0.128 18.879 19.000 0.012 0.000 1.010 116 A HN 1.427 nan 8.150 nan 0.000 0.493 117 G N 1.104 109.911 108.800 0.011 0.000 2.171 117 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.238 117 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.238 117 G C 0.158 175.066 174.900 0.013 0.000 1.039 117 G CA 0.432 45.539 45.100 0.012 0.000 0.759 117 G HN 1.296 nan 8.290 nan 0.000 0.501 118 T N -0.562 114.000 114.554 0.013 0.000 2.903 118 T HA 0.498 4.848 4.350 -0.000 0.000 0.299 118 T C -0.246 174.462 174.700 0.013 0.000 1.093 118 T CA -0.280 61.828 62.100 0.014 0.000 1.002 118 T CB 1.314 70.191 68.868 0.015 0.000 1.127 118 T HN 0.395 nan 8.240 nan 0.000 0.488 119 N N 2.434 121.143 118.700 0.015 0.000 2.807 119 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 119 N C -0.033 175.486 175.510 0.014 0.000 1.149 119 N CA -0.012 53.047 53.050 0.014 0.000 1.042 119 N CB -0.579 37.917 38.487 0.016 0.000 1.367 119 N HN 0.684 nan 8.380 nan 0.000 0.516 120 K N -0.048 120.359 120.400 0.012 0.000 3.339 120 K HA -0.198 4.122 4.320 -0.000 0.000 0.299 120 K C -0.715 175.892 176.600 0.011 0.000 1.270 120 K CA 0.756 57.050 56.287 0.010 0.000 0.875 120 K CB -1.226 31.280 32.500 0.010 0.000 1.298 120 K HN 0.675 nan 8.250 nan 0.000 0.485 121 E N 0.714 120.921 120.200 0.013 0.000 2.374 121 E HA 0.283 4.633 4.350 -0.000 0.000 0.260 121 E C 0.684 177.291 176.600 0.012 0.000 1.101 121 E CA 0.358 56.766 56.400 0.014 0.000 0.907 121 E CB 1.032 30.741 29.700 0.016 0.000 1.014 121 E HN 0.336 nan 8.360 nan 0.000 0.427 122 T N -1.558 113.005 114.554 0.013 0.000 2.778 122 T HA 0.552 4.902 4.350 -0.000 0.000 0.293 122 T C -0.051 174.663 174.700 0.023 0.000 1.144 122 T CA -0.865 61.242 62.100 0.012 0.000 1.010 122 T CB 1.645 70.513 68.868 0.000 0.000 1.325 122 T HN 0.396 nan 8.240 nan 0.000 0.515 123 T N 0.152 114.724 114.554 0.029 0.000 2.678 123 T HA 0.738 5.088 4.350 -0.000 0.000 0.260 123 T C -0.650 174.078 174.700 0.045 0.000 0.932 123 T CA -0.878 61.256 62.100 0.057 0.000 1.043 123 T CB 0.686 69.603 68.868 0.081 0.000 1.413 123 T HN 0.677 nan 8.240 nan 0.000 0.568 124 I N 1.064 121.699 120.570 0.107 0.000 2.647 124 I HA 0.368 4.538 4.170 -0.000 0.000 0.295 124 I C -0.177 175.992 176.117 0.088 0.000 1.078 124 I CA -0.755 60.546 61.300 0.002 0.000 1.048 124 I CB 2.011 39.936 38.000 -0.125 0.000 1.239 124 I HN 0.650 nan 8.210 nan 0.000 0.421 125 Q N 2.406 122.160 119.800 -0.077 0.000 2.199 125 Q HA 0.636 4.976 4.340 -0.000 0.000 0.232 125 Q C 0.603 176.570 176.000 -0.055 0.000 0.969 125 Q CA -0.443 55.368 55.803 0.014 0.000 0.925 125 Q CB 1.966 30.692 28.738 -0.020 0.000 1.198 125 Q HN 1.007 nan 8.270 nan 0.000 0.494 126 G N -0.154 108.748 108.800 0.171 0.000 2.234 126 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.153 126 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.153 126 G C 0.463 175.617 174.900 0.423 0.000 1.013 126 G CA -0.313 44.926 45.100 0.232 0.000 0.712 126 G HN 0.487 nan 8.290 nan 0.000 0.491 127 L N 0.645 122.106 121.223 0.397 0.000 2.240 127 L HA 0.184 4.524 4.340 -0.000 0.000 0.211 127 L C 0.596 177.571 176.870 0.176 0.000 1.106 127 L CA 0.331 55.332 54.840 0.268 0.000 0.793 127 L CB -0.282 41.876 42.059 0.165 0.000 0.927 127 L HN 0.083 nan 8.230 nan 0.000 0.446 128 D N 0.997 121.483 120.400 0.145 0.000 2.450 128 D HA 0.209 4.849 4.640 -0.000 0.000 0.247 128 D C 1.238 177.591 176.300 0.089 0.000 1.162 128 D CA 1.220 55.277 54.000 0.094 0.000 0.879 128 D CB 1.044 41.886 40.800 0.070 0.000 1.163 128 D HN 0.293 nan 8.370 nan 0.000 0.472 129 G N 1.704 110.545 108.800 0.069 0.000 2.184 129 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 129 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 129 G C 1.019 175.965 174.900 0.078 0.000 0.975 129 G CA 0.502 45.636 45.100 0.057 0.000 0.642 129 G HN 0.492 nan 8.290 nan 0.000 0.536 130 L N 1.510 122.804 121.223 0.118 0.000 1.970 130 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 130 L C 2.770 179.712 176.870 0.119 0.000 1.071 130 L CA 3.241 58.179 54.840 0.164 0.000 0.751 130 L CB -1.100 41.084 42.059 0.208 0.000 0.889 130 L HN 0.269 nan 8.230 nan 0.000 0.432 131 S N -0.570 115.178 115.700 0.081 0.000 2.372 131 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 131 S C 1.730 176.355 174.600 0.041 0.000 1.044 131 S CA 1.798 60.031 58.200 0.055 0.000 1.050 131 S CB -0.330 62.892 63.200 0.036 0.000 0.901 131 S HN 0.556 nan 8.310 nan 0.000 0.447 132 E N 0.490 120.707 120.200 0.027 0.000 2.208 132 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 132 E C 2.181 178.759 176.600 -0.036 0.000 0.988 132 E CA 0.687 57.086 56.400 -0.002 0.000 0.828 132 E CB -0.081 29.613 29.700 -0.010 0.000 0.763 132 E HN 0.383 nan 8.360 nan 0.000 0.478 133 R N -0.547 119.939 120.500 -0.023 0.000 2.119 133 R HA 0.044 4.384 4.340 -0.000 0.000 0.222 133 R C 2.075 178.348 176.300 -0.044 0.000 1.088 133 R CA 0.963 56.986 56.100 -0.127 0.000 0.984 133 R CB -0.365 29.930 30.300 -0.007 0.000 0.884 133 R HN 0.200 nan 8.270 nan 0.000 0.447 134 C N 0.018 119.405 119.300 0.146 0.000 2.435 134 C HA 0.001 4.461 4.460 -0.000 0.000 0.279 134 C C 2.784 177.857 174.990 0.139 0.000 1.321 134 C CA 0.850 60.009 59.018 0.235 0.000 1.752 134 C CB -0.734 27.099 27.740 0.156 0.000 1.959 134 C HN 0.589 nan 8.230 nan 0.000 0.500 135 A N -0.259 122.592 122.820 0.052 0.000 1.970 135 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 135 A C 2.060 179.656 177.584 0.020 0.000 1.170 135 A CA 1.682 53.740 52.037 0.035 0.000 0.645 135 A CB -0.490 18.520 19.000 0.017 0.000 0.816 135 A HN 0.573 nan 8.150 nan 0.000 0.447 136 Q N -1.161 118.620 119.800 -0.033 0.000 2.083 136 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 136 Q C 1.603 177.604 176.000 0.002 0.000 0.969 136 Q CA 1.799 57.563 55.803 -0.064 0.000 0.838 136 Q CB -0.537 28.095 28.738 -0.176 0.000 0.900 136 Q HN 0.634 nan 8.270 nan 0.000 0.436 137 Y N 0.324 120.659 120.300 0.058 0.000 2.242 137 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 137 Y C 2.143 178.043 175.900 -0.000 0.000 1.137 137 Y CA 1.368 59.487 58.100 0.032 0.000 1.181 137 Y CB -0.417 38.059 38.460 0.027 0.000 0.989 137 Y HN 0.111 nan 8.280 nan 0.000 0.527 138 K N 0.946 121.456 120.400 0.183 0.000 2.097 138 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 138 K C 1.806 178.444 176.600 0.064 0.000 1.049 138 K CA 1.504 57.848 56.287 0.095 0.000 0.933 138 K CB -0.147 32.395 32.500 0.070 0.000 0.717 138 K HN 0.146 nan 8.250 nan 0.000 0.442 139 K N 0.193 120.629 120.400 0.061 0.000 2.147 139 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 139 K C 0.587 177.211 176.600 0.040 0.000 1.049 139 K CA 1.369 57.681 56.287 0.041 0.000 0.936 139 K CB -0.030 32.489 32.500 0.032 0.000 0.722 139 K HN 0.209 nan 8.250 nan 0.000 0.446 140 D N -0.459 119.977 120.400 0.061 0.000 2.323 140 D HA 0.047 4.687 4.640 -0.000 0.000 0.239 140 D C 0.916 177.205 176.300 -0.019 0.000 1.129 140 D CA 0.570 54.588 54.000 0.031 0.000 0.865 140 D CB 0.578 41.416 40.800 0.064 0.000 0.913 140 D HN 0.424 nan 8.370 nan 0.000 0.517 141 G N -0.422 108.376 108.800 -0.004 0.000 2.179 141 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 141 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 141 G C 0.311 175.187 174.900 -0.040 0.000 0.990 141 G CA -0.037 45.045 45.100 -0.030 0.000 0.646 141 G HN 0.284 nan 8.290 nan 0.000 0.517 142 V N 1.203 121.100 119.914 -0.028 0.000 2.567 142 V HA 0.488 4.608 4.120 -0.000 0.000 0.289 142 V C 0.628 176.711 176.094 -0.018 0.000 1.049 142 V CA 0.111 62.366 62.300 -0.075 0.000 0.969 142 V CB 1.718 33.458 31.823 -0.139 0.000 0.995 142 V HN 0.216 nan 8.190 nan 0.000 0.471 143 D N 2.263 122.667 120.400 0.008 0.000 2.449 143 D HA 0.198 4.838 4.640 -0.000 0.000 0.210 143 D C -0.063 176.361 176.300 0.207 0.000 1.094 143 D CA 0.647 54.712 54.000 0.107 0.000 0.846 143 D CB 0.970 41.855 40.800 0.141 0.000 1.003 143 D HN 0.519 nan 8.370 nan 0.000 0.504 144 F N -0.776 119.167 119.950 -0.011 0.000 2.685 144 F HA 0.744 5.271 4.527 -0.000 0.000 0.315 144 F C -0.250 175.561 175.800 0.018 0.000 1.126 144 F CA -1.186 56.817 58.000 0.005 0.000 0.950 144 F CB 1.257 40.258 39.000 0.002 0.000 1.360 144 F HN -0.210 nan 8.300 nan 0.000 0.469 145 G N 0.674 109.607 108.800 0.222 0.000 2.714 145 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 145 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 145 G C -2.172 172.957 174.900 0.382 0.000 1.308 145 G CA -1.037 44.171 45.100 0.180 0.000 0.964 145 G HN 0.650 nan 8.290 nan 0.000 0.484 146 K N -0.053 120.550 120.400 0.340 0.000 2.468 146 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 146 K C -2.189 174.533 176.600 0.203 0.000 0.932 146 K CA -0.742 55.726 56.287 0.302 0.000 0.794 146 K CB 2.631 35.240 32.500 0.182 0.000 1.241 146 K HN 0.583 nan 8.250 nan 0.000 0.428 147 W N 5.040 126.221 121.300 -0.199 0.000 3.042 147 W HA 0.387 5.047 4.660 -0.000 0.000 0.337 147 W C -1.472 174.896 176.519 -0.252 0.000 1.086 147 W CA -0.619 56.442 57.345 -0.473 0.000 1.236 147 W CB 1.350 29.957 29.460 -1.422 0.000 1.381 147 W HN 0.666 nan 8.180 nan 0.000 0.472 148 R N 4.348 124.752 120.500 -0.160 0.000 2.343 148 R HA 0.718 5.058 4.340 -0.000 0.000 0.320 148 R C -1.052 175.212 176.300 -0.059 0.000 0.956 148 R CA -0.224 55.846 56.100 -0.050 0.000 0.836 148 R CB 1.269 31.529 30.300 -0.068 0.000 1.151 148 R HN 0.397 nan 8.270 nan 0.000 0.450 149 A N 3.836 126.696 122.820 0.066 0.000 2.312 149 A HA 0.537 4.857 4.320 -0.000 0.000 0.326 149 A C -0.835 176.767 177.584 0.029 0.000 1.172 149 A CA -0.713 51.363 52.037 0.066 0.000 0.821 149 A CB 1.583 20.644 19.000 0.102 0.000 1.166 149 A HN 0.515 nan 8.150 nan 0.000 0.493 150 V N 3.917 123.842 119.914 0.018 0.000 2.311 150 V HA 0.351 4.471 4.120 -0.000 0.000 0.275 150 V C -0.374 175.733 176.094 0.023 0.000 1.022 150 V CA -0.008 62.305 62.300 0.021 0.000 0.830 150 V CB 0.228 32.060 31.823 0.015 0.000 1.012 150 V HN 0.712 nan 8.190 nan 0.000 0.452 151 L N 6.135 127.370 121.223 0.020 0.000 2.334 151 L HA 0.820 5.160 4.340 -0.000 0.000 0.276 151 L C 0.045 176.918 176.870 0.005 0.000 1.014 151 L CA -0.674 54.173 54.840 0.012 0.000 0.815 151 L CB 1.931 43.994 42.059 0.006 0.000 1.268 151 L HN 0.707 nan 8.230 nan 0.000 0.428 152 R N 2.027 122.528 120.500 0.000 0.000 2.888 152 R HA 0.748 5.088 4.340 -0.000 0.000 0.266 152 R C -1.214 175.056 176.300 -0.049 0.000 1.020 152 R CA -0.741 55.352 56.100 -0.012 0.000 0.963 152 R CB 1.137 31.449 30.300 0.020 0.000 1.197 152 R HN 0.387 nan 8.270 nan 0.000 0.481 153 I N 1.307 121.814 120.570 -0.105 0.000 2.312 153 I HA 0.710 4.880 4.170 -0.000 0.000 0.290 153 I C -0.277 175.796 176.117 -0.073 0.000 1.008 153 I CA -0.338 60.850 61.300 -0.187 0.000 1.226 153 I CB 1.249 38.917 38.000 -0.553 0.000 1.371 153 I HN 0.913 nan 8.210 nan 0.000 0.468 154 A N 4.745 127.551 122.820 -0.022 0.000 2.467 154 A HA 0.313 4.633 4.320 -0.000 0.000 0.301 154 A C -1.295 176.308 177.584 0.032 0.000 1.126 154 A CA -0.700 51.351 52.037 0.023 0.000 0.632 154 A CB 0.818 19.834 19.000 0.026 0.000 1.331 154 A HN 0.547 nan 8.150 nan 0.000 0.482 155 D N 1.072 121.494 120.400 0.036 0.000 2.554 155 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 155 D C 0.369 176.685 176.300 0.027 0.000 1.213 155 D CA 1.588 55.607 54.000 0.033 0.000 0.900 155 D CB -0.198 40.619 40.800 0.027 0.000 1.135 155 D HN 0.530 nan 8.370 nan 0.000 0.522 156 Q N 0.717 120.533 119.800 0.028 0.000 2.494 156 Q HA -0.216 4.124 4.340 -0.000 0.000 0.266 156 Q C -0.760 175.255 176.000 0.024 0.000 1.053 156 Q CA 0.618 56.436 55.803 0.025 0.000 1.029 156 Q CB -2.021 26.729 28.738 0.021 0.000 1.423 156 Q HN 0.479 nan 8.270 nan 0.000 0.516 157 C N 0.470 119.784 119.300 0.023 0.000 2.498 157 C HA 0.591 5.051 4.460 -0.000 0.000 0.316 157 C C -2.298 172.698 174.990 0.010 0.000 1.209 157 C CA -1.451 57.577 59.018 0.016 0.000 1.518 157 C CB 1.536 29.282 27.740 0.011 0.000 2.147 157 C HN 0.111 nan 8.230 nan 0.000 0.483 158 P HA 0.262 nan 4.420 nan 0.000 0.297 158 P C -0.187 177.131 177.300 0.030 0.000 1.331 158 P CA 0.090 63.200 63.100 0.018 0.000 0.803 158 P CB 1.026 32.735 31.700 0.015 0.000 0.929 159 S N 1.883 117.599 115.700 0.026 0.000 2.589 159 S HA 0.097 4.567 4.470 -0.000 0.000 0.265 159 S C 1.279 175.896 174.600 0.028 0.000 1.342 159 S CA -0.083 58.134 58.200 0.028 0.000 1.005 159 S CB -0.096 63.118 63.200 0.024 0.000 0.909 159 S HN 0.339 nan 8.310 nan 0.000 0.555 160 S N 0.636 116.353 115.700 0.029 0.000 2.383 160 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 160 S C 1.673 176.287 174.600 0.023 0.000 1.026 160 S CA 0.977 59.193 58.200 0.027 0.000 0.981 160 S CB -0.729 62.487 63.200 0.026 0.000 0.818 160 S HN 0.655 nan 8.310 nan 0.000 0.472 161 L N 2.021 123.258 121.223 0.022 0.000 2.056 161 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 161 L C 2.317 179.200 176.870 0.022 0.000 1.078 161 L CA 1.738 56.592 54.840 0.022 0.000 0.749 161 L CB -1.008 41.063 42.059 0.021 0.000 0.901 161 L HN 0.238 nan 8.230 nan 0.000 0.433 162 A N -0.469 122.364 122.820 0.022 0.000 1.930 162 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 162 A C 2.270 179.866 177.584 0.021 0.000 1.175 162 A CA 1.902 53.953 52.037 0.023 0.000 0.627 162 A CB -0.739 18.274 19.000 0.022 0.000 0.815 162 A HN 0.492 nan 8.150 nan 0.000 0.443 163 I N -0.414 120.167 120.570 0.018 0.000 2.233 163 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 163 I C 2.831 178.952 176.117 0.006 0.000 1.093 163 I CA 1.622 62.929 61.300 0.011 0.000 1.380 163 I CB -0.325 37.683 38.000 0.014 0.000 1.067 163 I HN 0.573 nan 8.210 nan 0.000 0.413 164 Q N 1.291 121.097 119.800 0.011 0.000 2.077 164 Q HA -0.322 4.018 4.340 -0.000 0.000 0.206 164 Q C 2.016 178.021 176.000 0.009 0.000 0.989 164 Q CA 2.467 58.276 55.803 0.010 0.000 0.853 164 Q CB -0.147 28.601 28.738 0.016 0.000 0.907 164 Q HN 0.483 nan 8.270 nan 0.000 0.418 165 E N 0.875 121.086 120.200 0.018 0.000 2.028 165 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 165 E C 1.791 178.404 176.600 0.020 0.000 0.988 165 E CA 1.858 58.272 56.400 0.024 0.000 0.799 165 E CB -0.377 29.343 29.700 0.033 0.000 0.755 165 E HN 0.426 nan 8.360 nan 0.000 0.447 166 N N 0.680 119.398 118.700 0.031 0.000 2.037 166 N HA -0.256 4.484 4.740 -0.000 0.000 0.196 166 N C 1.835 177.337 175.510 -0.014 0.000 1.034 166 N CA 1.897 54.973 53.050 0.043 0.000 0.861 166 N CB -0.599 37.918 38.487 0.050 0.000 1.039 166 N HN 0.361 nan 8.380 nan 0.000 0.427 167 A N 2.024 124.820 122.820 -0.040 0.000 1.927 167 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 167 A C 2.039 179.533 177.584 -0.151 0.000 1.185 167 A CA 1.542 53.521 52.037 -0.096 0.000 0.639 167 A CB -0.525 18.428 19.000 -0.078 0.000 0.820 167 A HN 0.341 nan 8.150 nan 0.000 0.451 168 N N 0.018 118.651 118.700 -0.111 0.000 2.188 168 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 168 N C 1.902 177.256 175.510 -0.260 0.000 1.018 168 N CA 1.335 54.279 53.050 -0.177 0.000 0.858 168 N CB -0.411 38.064 38.487 -0.020 0.000 0.989 168 N HN 0.498 nan 8.380 nan 0.000 0.426 169 A N 1.190 123.916 122.820 -0.158 0.000 1.969 169 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 169 A C 2.314 179.608 177.584 -0.483 0.000 1.169 169 A CA 0.700 52.612 52.037 -0.209 0.000 0.635 169 A CB -0.521 18.487 19.000 0.014 0.000 0.810 169 A HN 0.179 nan 8.150 nan 0.000 0.445 170 L N -1.083 119.904 121.223 -0.392 0.000 2.217 170 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 170 L C 3.000 179.694 176.870 -0.294 0.000 1.107 170 L CA 0.725 55.298 54.840 -0.446 0.000 0.783 170 L CB -0.362 41.545 42.059 -0.254 0.000 0.919 170 L HN 0.462 nan 8.230 nan 0.000 0.442 171 A N -0.112 122.476 122.820 -0.386 0.000 1.855 171 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 171 A C 2.341 179.660 177.584 -0.440 0.000 1.191 171 A CA 1.077 52.820 52.037 -0.491 0.000 0.613 171 A CB -0.345 18.125 19.000 -0.884 0.000 0.829 171 A HN 0.208 nan 8.150 nan 0.000 0.442 172 R N -1.305 118.941 120.500 -0.423 0.000 2.083 172 R HA -0.178 4.161 4.340 -0.000 0.000 0.237 172 R C 2.121 178.313 176.300 -0.181 0.000 1.137 172 R CA 1.886 57.872 56.100 -0.191 0.000 0.951 172 R CB -1.303 28.917 30.300 -0.134 0.000 0.851 172 R HN 0.780 nan 8.270 nan 0.000 0.434 173 Y N 1.235 121.267 120.300 -0.447 0.000 2.070 173 Y HA -0.271 4.279 4.550 -0.000 0.000 0.280 173 Y C 2.296 178.062 175.900 -0.225 0.000 1.148 173 Y CA 1.843 59.683 58.100 -0.433 0.000 1.125 173 Y CB -0.686 37.193 38.460 -0.968 0.000 0.975 173 Y HN 0.077 nan 8.280 nan 0.000 0.492 174 A N -0.163 122.311 122.820 -0.577 0.000 1.892 174 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 174 A C 2.536 179.937 177.584 -0.306 0.000 1.188 174 A CA 2.469 54.198 52.037 -0.514 0.000 0.631 174 A CB -1.678 17.200 19.000 -0.205 0.000 0.822 174 A HN 0.607 nan 8.150 nan 0.000 0.447 175 S N -0.582 115.011 115.700 -0.179 0.000 2.359 175 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 175 S C 1.879 176.440 174.600 -0.066 0.000 1.035 175 S CA 1.671 59.832 58.200 -0.066 0.000 1.018 175 S CB -0.536 62.669 63.200 0.008 0.000 0.876 175 S HN 0.474 nan 8.310 nan 0.000 0.448 176 I N 0.735 121.250 120.570 -0.091 0.000 2.226 176 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 176 I C 2.515 178.584 176.117 -0.079 0.000 1.100 176 I CA 0.830 62.096 61.300 -0.057 0.000 1.374 176 I CB -0.449 37.531 38.000 -0.034 0.000 1.057 176 I HN 0.403 nan 8.210 nan 0.000 0.413 177 C N 0.180 119.373 119.300 -0.178 0.000 2.425 177 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 177 C C 2.815 177.769 174.990 -0.060 0.000 1.280 177 C CA 0.837 59.778 59.018 -0.129 0.000 1.744 177 C CB -1.052 26.529 27.740 -0.265 0.000 1.989 177 C HN 0.519 nan 8.230 nan 0.000 0.491 178 Q N -0.327 119.431 119.800 -0.070 0.000 2.167 178 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 178 Q C 2.180 178.173 176.000 -0.012 0.000 0.970 178 Q CA 0.931 56.724 55.803 -0.017 0.000 0.855 178 Q CB -0.200 28.544 28.738 0.010 0.000 0.911 178 Q HN 0.642 nan 8.270 nan 0.000 0.438 179 Q N 0.125 119.917 119.800 -0.014 0.000 2.488 179 Q HA -0.005 4.335 4.340 -0.000 0.000 0.211 179 Q C 0.473 176.474 176.000 0.001 0.000 0.967 179 Q CA 0.694 56.494 55.803 -0.005 0.000 0.926 179 Q CB 0.193 28.932 28.738 0.001 0.000 0.992 179 Q HN 0.375 nan 8.270 nan 0.000 0.506 180 N N -0.897 117.806 118.700 0.006 0.000 2.291 180 N HA 0.129 4.869 4.740 -0.000 0.000 0.244 180 N C 0.404 175.930 175.510 0.026 0.000 1.216 180 N CA 0.565 53.627 53.050 0.020 0.000 0.879 180 N CB 1.563 40.073 38.487 0.038 0.000 1.167 180 N HN 0.244 nan 8.380 nan 0.000 0.515 181 G N 1.033 109.843 108.800 0.017 0.000 2.162 181 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 181 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 181 G C -0.029 174.898 174.900 0.044 0.000 0.976 181 G CA 0.161 45.277 45.100 0.026 0.000 0.655 181 G HN 0.274 nan 8.290 nan 0.000 0.533 182 L N 0.453 121.703 121.223 0.046 0.000 2.322 182 L HA 0.626 4.966 4.340 -0.000 0.000 0.279 182 L C 0.736 177.650 176.870 0.072 0.000 1.036 182 L CA -1.290 53.591 54.840 0.070 0.000 0.807 182 L CB 1.913 44.010 42.059 0.062 0.000 1.226 182 L HN -0.099 nan 8.230 nan 0.000 0.433 183 V N 3.898 123.887 119.914 0.125 0.000 2.488 183 V HA 0.173 4.293 4.120 -0.000 0.000 0.277 183 V C -2.021 174.146 176.094 0.123 0.000 1.046 183 V CA -1.322 61.043 62.300 0.107 0.000 0.986 183 V CB 1.087 32.969 31.823 0.097 0.000 0.989 183 V HN 0.583 nan 8.190 nan 0.000 0.475 184 P HA 0.307 nan 4.420 nan 0.000 0.282 184 P C -0.347 177.057 177.300 0.174 0.000 1.274 184 P CA -0.084 63.040 63.100 0.039 0.000 0.770 184 P CB 0.428 32.021 31.700 -0.178 0.000 0.867 185 I N 3.591 124.346 120.570 0.308 0.000 2.416 185 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 185 I C 0.233 176.501 176.117 0.252 0.000 1.051 185 I CA -0.549 60.885 61.300 0.222 0.000 1.375 185 I CB 1.035 39.174 38.000 0.232 0.000 1.407 185 I HN -0.001 nan 8.210 nan 0.000 0.516 186 V N 6.674 126.677 119.914 0.149 0.000 2.370 186 V HA 0.215 4.335 4.120 -0.000 0.000 0.279 186 V C 0.111 176.234 176.094 0.049 0.000 1.029 186 V CA -0.390 61.977 62.300 0.113 0.000 0.870 186 V CB 1.449 33.270 31.823 -0.003 0.000 0.984 186 V HN 0.757 nan 8.190 nan 0.000 0.451 187 E N 7.865 128.106 120.200 0.068 0.000 2.593 187 E HA 0.397 4.747 4.350 -0.000 0.000 0.232 187 E C -2.737 173.890 176.600 0.045 0.000 1.026 187 E CA -1.802 54.629 56.400 0.051 0.000 0.772 187 E CB 1.812 31.553 29.700 0.068 0.000 1.310 187 E HN 0.441 nan 8.360 nan 0.000 0.413 188 P HA 0.190 nan 4.420 nan 0.000 0.238 188 P C -0.902 176.406 177.300 0.014 0.000 1.758 188 P CA -0.304 62.801 63.100 0.007 0.000 1.142 188 P CB 0.460 32.138 31.700 -0.037 0.000 1.722 189 E N 2.535 122.751 120.200 0.028 0.000 2.289 189 E HA 0.262 4.612 4.350 -0.000 0.000 0.278 189 E C -0.898 175.714 176.600 0.019 0.000 1.032 189 E CA -0.717 55.702 56.400 0.030 0.000 0.854 189 E CB 0.820 30.546 29.700 0.043 0.000 1.046 189 E HN 0.041 nan 8.360 nan 0.000 0.409 190 V N 6.580 126.500 119.914 0.008 0.000 2.348 190 V HA 0.140 4.260 4.120 -0.000 0.000 0.270 190 V C 0.330 176.416 176.094 -0.013 0.000 1.037 190 V CA -0.738 61.555 62.300 -0.011 0.000 0.872 190 V CB 0.853 32.656 31.823 -0.034 0.000 1.002 190 V HN 0.732 nan 8.190 nan 0.000 0.464 191 I N 9.206 129.779 120.570 0.005 0.000 2.668 191 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 191 I C -0.778 175.340 176.117 0.002 0.000 1.168 191 I CA -1.465 59.847 61.300 0.022 0.000 1.424 191 I CB 1.299 39.348 38.000 0.082 0.000 1.377 191 I HN 0.479 nan 8.210 nan 0.000 0.560 192 P HA -0.019 nan 4.420 nan 0.000 0.241 192 P C -0.115 177.116 177.300 -0.114 0.000 1.191 192 P CA 0.118 63.126 63.100 -0.152 0.000 0.771 192 P CB 0.047 31.456 31.700 -0.485 0.000 0.929 193 D N 0.826 121.232 120.400 0.010 0.000 2.662 193 D HA 0.314 4.954 4.640 -0.000 0.000 0.233 193 D C 1.295 177.653 176.300 0.096 0.000 1.129 193 D CA 2.002 56.069 54.000 0.111 0.000 0.851 193 D CB -0.219 40.684 40.800 0.173 0.000 1.152 193 D HN 0.254 nan 8.370 nan 0.000 0.507 194 G N 2.397 111.215 108.800 0.030 0.000 2.354 194 G HA2 0.084 4.044 3.960 -0.000 0.000 0.582 194 G HA3 0.084 4.044 3.960 -0.000 0.000 0.582 194 G C -0.705 174.110 174.900 -0.142 0.000 1.316 194 G CA -0.316 44.788 45.100 0.006 0.000 0.995 194 G HN 0.467 nan 8.290 nan 0.000 0.573 195 D N -0.920 119.437 120.400 -0.071 0.000 2.424 195 D HA 0.137 4.777 4.640 -0.000 0.000 0.220 195 D C 1.096 177.339 176.300 -0.094 0.000 1.150 195 D CA 0.223 54.163 54.000 -0.099 0.000 0.831 195 D CB -0.592 40.200 40.800 -0.013 0.000 0.981 195 D HN 0.815 nan 8.370 nan 0.000 0.500 196 H N 0.140 119.209 119.070 -0.001 0.000 2.711 196 H HA 0.274 4.830 4.556 -0.000 0.000 0.381 196 H C -0.012 175.342 175.328 0.044 0.000 1.535 196 H CA 0.073 56.139 56.048 0.031 0.000 1.470 196 H CB 0.278 29.971 29.762 -0.116 0.000 1.551 196 H HN 0.165 nan 8.280 nan 0.000 0.613 197 D N -0.822 119.729 120.400 0.253 0.000 2.506 197 D HA 0.065 4.705 4.640 -0.000 0.000 0.254 197 D C 1.266 177.640 176.300 0.124 0.000 1.089 197 D CA -0.934 53.170 54.000 0.174 0.000 1.050 197 D CB 0.967 41.899 40.800 0.220 0.000 1.221 197 D HN 0.392 nan 8.370 nan 0.000 0.589 198 L N 0.111 121.274 121.223 -0.100 0.000 1.990 198 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 198 L C 2.156 179.012 176.870 -0.023 0.000 1.072 198 L CA 2.065 56.756 54.840 -0.249 0.000 0.755 198 L CB -0.869 40.807 42.059 -0.637 0.000 0.889 198 L HN 0.671 nan 8.230 nan 0.000 0.432 199 E N -1.325 118.910 120.200 0.058 0.000 2.114 199 E HA -0.346 4.004 4.350 -0.000 0.000 0.199 199 E C 2.215 178.912 176.600 0.162 0.000 1.008 199 E CA 1.901 58.363 56.400 0.103 0.000 0.810 199 E CB -0.264 29.497 29.700 0.103 0.000 0.739 199 E HN 0.768 nan 8.360 nan 0.000 0.456 200 H N -0.935 118.163 119.070 0.047 0.000 2.353 200 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 200 H C 2.523 177.849 175.328 -0.004 0.000 1.090 200 H CA 1.294 57.346 56.048 0.008 0.000 1.327 200 H CB -0.007 29.758 29.762 0.006 0.000 1.383 200 H HN 0.314 nan 8.280 nan 0.000 0.508 201 C N 0.734 120.098 119.300 0.105 0.000 2.457 201 C HA -0.077 4.383 4.460 -0.000 0.000 0.278 201 C C 2.757 177.772 174.990 0.041 0.000 1.309 201 C CA 1.348 60.349 59.018 -0.030 0.000 1.735 201 C CB -0.930 26.819 27.740 0.015 0.000 1.992 201 C HN 0.689 nan 8.230 nan 0.000 0.493 202 Q N -1.211 118.638 119.800 0.081 0.000 2.050 202 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 202 Q C 2.081 178.159 176.000 0.130 0.000 0.980 202 Q CA 2.262 58.115 55.803 0.084 0.000 0.840 202 Q CB -0.531 28.256 28.738 0.082 0.000 0.898 202 Q HN 0.881 nan 8.270 nan 0.000 0.424 203 Y N -0.099 120.230 120.300 0.048 0.000 2.145 203 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 203 Y C 2.046 177.971 175.900 0.042 0.000 1.145 203 Y CA 1.492 59.621 58.100 0.048 0.000 1.148 203 Y CB -0.082 38.410 38.460 0.053 0.000 0.981 203 Y HN -0.050 nan 8.280 nan 0.000 0.507 204 V N -0.153 119.968 119.914 0.345 0.000 2.490 204 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 204 V C 2.143 178.277 176.094 0.067 0.000 1.061 204 V CA 2.395 64.809 62.300 0.191 0.000 1.064 204 V CB -0.862 30.996 31.823 0.058 0.000 0.670 204 V HN 0.538 nan 8.190 nan 0.000 0.461 205 T N -0.481 114.101 114.554 0.047 0.000 2.857 205 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 205 T C 1.729 176.437 174.700 0.013 0.000 1.048 205 T CA 1.350 63.464 62.100 0.024 0.000 1.139 205 T CB -0.157 68.727 68.868 0.027 0.000 0.874 205 T HN 0.607 nan 8.240 nan 0.000 0.455 206 E N 0.944 121.138 120.200 -0.009 0.000 2.208 206 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 206 E C 2.151 178.718 176.600 -0.055 0.000 0.988 206 E CA 0.704 57.082 56.400 -0.037 0.000 0.828 206 E CB -0.029 29.623 29.700 -0.080 0.000 0.763 206 E HN 0.429 nan 8.360 nan 0.000 0.478 207 K N 1.027 121.383 120.400 -0.072 0.000 2.062 207 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 207 K C 2.010 178.603 176.600 -0.011 0.000 1.051 207 K CA 0.841 57.097 56.287 -0.052 0.000 0.941 207 K CB 0.068 32.547 32.500 -0.035 0.000 0.719 207 K HN -0.068 nan 8.250 nan 0.000 0.440 208 V N 2.022 121.936 119.914 -0.000 0.000 2.255 208 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 208 V C 2.379 178.466 176.094 -0.012 0.000 1.051 208 V CA 1.851 64.148 62.300 -0.005 0.000 1.018 208 V CB -0.425 31.397 31.823 -0.002 0.000 0.641 208 V HN 0.335 nan 8.190 nan 0.000 0.445 209 L N -0.045 121.183 121.223 0.008 0.000 2.017 209 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 209 L C 2.799 179.722 176.870 0.088 0.000 1.073 209 L CA 1.580 56.448 54.840 0.047 0.000 0.745 209 L CB -1.011 41.110 42.059 0.103 0.000 0.894 209 L HN 0.368 nan 8.230 nan 0.000 0.432 210 A N 0.422 123.278 122.820 0.060 0.000 1.892 210 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 210 A C 2.549 180.158 177.584 0.043 0.000 1.188 210 A CA 2.279 54.351 52.037 0.058 0.000 0.631 210 A CB -0.866 18.142 19.000 0.013 0.000 0.822 210 A HN 0.433 nan 8.150 nan 0.000 0.447 211 A N -0.867 121.958 122.820 0.008 0.000 1.902 211 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 211 A C 2.250 179.811 177.584 -0.038 0.000 1.181 211 A CA 1.721 53.755 52.037 -0.006 0.000 0.623 211 A CB -1.051 17.942 19.000 -0.011 0.000 0.818 211 A HN 0.415 nan 8.150 nan 0.000 0.443 212 V N -1.260 118.602 119.914 -0.087 0.000 2.231 212 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 212 V C 2.418 178.353 176.094 -0.265 0.000 1.058 212 V CA 2.476 64.645 62.300 -0.219 0.000 1.022 212 V CB -1.008 30.601 31.823 -0.356 0.000 0.640 212 V HN 0.693 nan 8.190 nan 0.000 0.445 213 Y N 0.080 120.364 120.300 -0.028 0.000 2.314 213 Y HA -0.142 4.408 4.550 -0.000 0.000 0.293 213 Y C 2.375 178.266 175.900 -0.015 0.000 1.129 213 Y CA 1.614 59.700 58.100 -0.024 0.000 1.201 213 Y CB -0.453 37.994 38.460 -0.021 0.000 0.999 213 Y HN 0.186 nan 8.280 nan 0.000 0.541 214 K N 1.081 121.545 120.400 0.106 0.000 2.103 214 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 214 K C 2.065 178.692 176.600 0.044 0.000 1.048 214 K CA 1.545 57.871 56.287 0.065 0.000 0.930 214 K CB -0.605 31.919 32.500 0.040 0.000 0.716 214 K HN 0.194 nan 8.250 nan 0.000 0.444 215 A N 0.303 123.133 122.820 0.016 0.000 1.898 215 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 215 A C 2.007 179.615 177.584 0.040 0.000 1.181 215 A CA 1.279 53.333 52.037 0.027 0.000 0.620 215 A CB -0.613 18.358 19.000 -0.049 0.000 0.819 215 A HN 0.289 nan 8.150 nan 0.000 0.442 216 L N 0.860 122.065 121.223 -0.029 0.000 2.081 216 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 216 L C 2.277 179.182 176.870 0.057 0.000 1.080 216 L CA 1.916 56.750 54.840 -0.010 0.000 0.754 216 L CB -1.083 40.979 42.059 0.006 0.000 0.893 216 L HN 0.563 nan 8.230 nan 0.000 0.433 217 N N -0.533 118.205 118.700 0.064 0.000 2.135 217 N HA -0.168 4.571 4.740 -0.000 0.000 0.186 217 N C 1.314 176.799 175.510 -0.041 0.000 1.027 217 N CA 1.291 54.368 53.050 0.046 0.000 0.849 217 N CB 0.096 38.615 38.487 0.054 0.000 1.002 217 N HN 0.293 nan 8.380 nan 0.000 0.425 218 D N 0.110 120.486 120.400 -0.041 0.000 2.158 218 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 218 D C 1.023 177.086 176.300 -0.396 0.000 0.995 218 D CA 1.113 55.010 54.000 -0.171 0.000 0.846 218 D CB -0.512 40.249 40.800 -0.066 0.000 0.941 218 D HN 0.521 nan 8.370 nan 0.000 0.456 219 H N -0.741 118.161 119.070 -0.280 0.000 2.524 219 H HA 0.069 4.625 4.556 -0.000 0.000 0.280 219 H C -0.144 175.060 175.328 -0.205 0.000 1.018 219 H CA 0.037 55.916 56.048 -0.281 0.000 1.165 219 H CB -0.089 29.600 29.762 -0.121 0.000 1.411 219 H HN 0.404 nan 8.280 nan 0.000 0.569 220 H N -1.501 117.636 119.070 0.112 0.000 2.791 220 H HA -0.132 4.424 4.556 -0.000 0.000 0.302 220 H C -0.031 175.358 175.328 0.102 0.000 1.198 220 H CA -0.042 56.060 56.048 0.089 0.000 1.145 220 H CB -1.951 27.852 29.762 0.068 0.000 1.385 220 H HN 0.052 nan 8.280 nan 0.000 0.409 221 V N 0.446 120.462 119.914 0.170 0.000 2.775 221 V HA -0.043 4.077 4.120 -0.000 0.000 0.299 221 V C 0.577 176.783 176.094 0.185 0.000 1.062 221 V CA -0.033 62.352 62.300 0.142 0.000 1.063 221 V CB 0.512 32.377 31.823 0.071 0.000 0.994 221 V HN 0.370 nan 8.190 nan 0.000 0.483 222 Y N 4.405 124.733 120.300 0.048 0.000 2.650 222 Y HA 0.324 4.874 4.550 -0.000 0.000 0.343 222 Y C 0.955 176.881 175.900 0.043 0.000 1.078 222 Y CA -0.297 57.829 58.100 0.043 0.000 1.356 222 Y CB 0.164 38.642 38.460 0.030 0.000 1.204 222 Y HN 0.608 nan 8.280 nan 0.000 0.508 223 L N 3.014 124.117 121.223 -0.201 0.000 2.081 223 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 223 L C 1.546 178.253 176.870 -0.272 0.000 1.080 223 L CA 1.742 56.490 54.840 -0.154 0.000 0.754 223 L CB -0.161 41.832 42.059 -0.111 0.000 0.893 223 L HN 0.599 nan 8.230 nan 0.000 0.433 224 E N -0.213 119.620 120.200 -0.611 0.000 2.333 224 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 224 E C 1.327 177.786 176.600 -0.235 0.000 1.007 224 E CA 0.923 57.036 56.400 -0.477 0.000 0.845 224 E CB -0.137 29.206 29.700 -0.595 0.000 0.766 224 E HN 0.423 nan 8.360 nan 0.000 0.507 225 G N 0.057 108.763 108.800 -0.158 0.000 4.644 225 G HA2 0.258 4.218 3.960 -0.000 0.000 0.307 225 G HA3 0.258 4.218 3.960 -0.000 0.000 0.307 225 G C -0.344 174.600 174.900 0.074 0.000 1.331 225 G CA -0.295 44.878 45.100 0.122 0.000 1.059 225 G HN -0.035 nan 8.290 nan 0.000 0.590 226 T N -0.002 114.560 114.554 0.012 0.000 2.865 226 T HA 0.722 5.072 4.350 -0.000 0.000 0.294 226 T C -0.845 173.853 174.700 -0.004 0.000 1.119 226 T CA -0.364 61.748 62.100 0.020 0.000 1.007 226 T CB 2.040 70.927 68.868 0.031 0.000 1.225 226 T HN 0.050 nan 8.240 nan 0.000 0.515 227 L N 1.229 122.452 121.223 -0.000 0.000 2.359 227 L HA 0.764 5.104 4.340 -0.000 0.000 0.256 227 L C -1.636 175.213 176.870 -0.036 0.000 1.026 227 L CA -1.161 53.648 54.840 -0.051 0.000 0.828 227 L CB 2.314 44.311 42.059 -0.104 0.000 1.406 227 L HN 0.441 nan 8.230 nan 0.000 0.413 228 L N 1.666 122.829 121.223 -0.100 0.000 2.386 228 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 228 L C -1.015 175.763 176.870 -0.154 0.000 0.993 228 L CA -0.151 54.637 54.840 -0.087 0.000 0.819 228 L CB 1.674 43.684 42.059 -0.081 0.000 1.294 228 L HN 0.500 nan 8.230 nan 0.000 0.414 229 K N 6.812 127.156 120.400 -0.093 0.000 2.579 229 K HA 0.584 4.904 4.320 -0.000 0.000 0.225 229 K C -2.913 173.664 176.600 -0.039 0.000 0.992 229 K CA -1.448 54.788 56.287 -0.085 0.000 1.018 229 K CB 1.472 33.972 32.500 -0.001 0.000 1.249 229 K HN 0.484 nan 8.250 nan 0.000 0.489 230 P HA 0.278 nan 4.420 nan 0.000 0.296 230 P C -1.588 175.802 177.300 0.149 0.000 1.297 230 P CA -0.930 62.188 63.100 0.030 0.000 0.947 230 P CB 1.375 33.074 31.700 -0.001 0.000 1.366 231 N N -0.577 118.200 118.700 0.129 0.000 2.524 231 N HA 0.353 5.093 4.740 -0.000 0.000 0.283 231 N C 0.333 175.952 175.510 0.181 0.000 1.142 231 N CA -0.620 52.513 53.050 0.138 0.000 0.984 231 N CB 0.190 38.705 38.487 0.046 0.000 1.155 231 N HN 0.280 nan 8.380 nan 0.000 0.467 232 M N 0.880 120.547 119.600 0.111 0.000 2.232 232 M HA 0.075 4.555 4.480 -0.000 0.000 0.321 232 M C -0.393 175.877 176.300 -0.050 0.000 1.101 232 M CA -0.488 54.770 55.300 -0.070 0.000 1.181 232 M CB 0.739 33.193 32.600 -0.245 0.000 1.432 232 M HN 0.348 nan 8.290 nan 0.000 0.457 233 V N 2.219 122.093 119.914 -0.066 0.000 2.427 233 V HA 0.329 4.449 4.120 -0.000 0.000 0.268 233 V C 0.391 176.409 176.094 -0.126 0.000 1.046 233 V CA -0.058 62.203 62.300 -0.066 0.000 0.970 233 V CB 0.230 32.030 31.823 -0.038 0.000 1.001 233 V HN 1.013 nan 8.190 nan 0.000 0.476 234 T N 2.478 116.953 114.554 -0.133 0.000 2.812 234 T HA 0.830 5.180 4.350 -0.000 0.000 0.294 234 T C -0.251 174.338 174.700 -0.186 0.000 1.159 234 T CA -0.302 61.676 62.100 -0.203 0.000 1.008 234 T CB 1.867 70.621 68.868 -0.190 0.000 1.289 234 T HN 0.858 nan 8.240 nan 0.000 0.514 235 A N 0.276 122.939 122.820 -0.260 0.000 2.332 235 A HA 0.732 5.052 4.320 -0.000 0.000 0.258 235 A C 1.014 178.422 177.584 -0.294 0.000 1.087 235 A CA -0.123 51.797 52.037 -0.195 0.000 0.802 235 A CB -0.578 18.373 19.000 -0.083 0.000 1.042 235 A HN 1.445 nan 8.150 nan 0.000 0.489 236 G N -0.922 107.470 108.800 -0.679 0.000 2.554 236 G HA2 0.285 4.245 3.960 -0.000 0.000 0.238 236 G HA3 0.285 4.245 3.960 -0.000 0.000 0.238 236 G C 0.775 175.452 174.900 -0.372 0.000 1.259 236 G CA -0.049 44.548 45.100 -0.839 0.000 0.843 236 G HN 0.807 nan 8.290 nan 0.000 0.582 237 H N 1.884 120.815 119.070 -0.232 0.000 2.292 237 H HA -0.226 4.330 4.556 -0.000 0.000 0.292 237 H C 2.699 177.961 175.328 -0.110 0.000 1.100 237 H CA 2.114 58.075 56.048 -0.145 0.000 1.238 237 H CB -0.311 29.386 29.762 -0.110 0.000 1.355 237 H HN 0.520 nan 8.280 nan 0.000 0.484 238 A N 0.049 122.889 122.820 0.033 0.000 2.238 238 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 238 A C 1.255 178.830 177.584 -0.016 0.000 1.177 238 A CA 0.017 52.060 52.037 0.010 0.000 0.804 238 A CB -0.570 18.435 19.000 0.008 0.000 0.823 238 A HN 0.412 nan 8.150 nan 0.000 0.482 239 C N 1.275 120.541 119.300 -0.057 0.000 2.642 239 C HA 0.310 4.770 4.460 -0.000 0.000 0.420 239 C C 2.270 177.270 174.990 0.018 0.000 1.349 239 C CA 0.817 59.822 59.018 -0.022 0.000 1.821 239 C CB -0.161 27.565 27.740 -0.023 0.000 2.637 239 C HN 0.666 nan 8.230 nan 0.000 0.605 240 T N 2.088 116.653 114.554 0.019 0.000 3.057 240 T HA 0.108 4.458 4.350 -0.000 0.000 0.254 240 T C 0.656 175.352 174.700 -0.007 0.000 1.094 240 T CA 0.216 62.320 62.100 0.007 0.000 1.088 240 T CB -0.084 68.782 68.868 -0.003 0.000 0.934 240 T HN 0.785 nan 8.240 nan 0.000 0.497 241 K N 1.773 122.173 120.400 -0.000 0.000 2.440 241 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 241 K C -0.142 176.377 176.600 -0.136 0.000 0.980 241 K CA 0.042 56.259 56.287 -0.116 0.000 0.953 241 K CB 0.341 32.734 32.500 -0.179 0.000 0.925 241 K HN 0.073 nan 8.250 nan 0.000 0.497 242 K N 2.557 122.790 120.400 -0.278 0.000 2.274 242 K HA 0.311 4.631 4.320 -0.000 0.000 0.262 242 K C -0.880 175.526 176.600 -0.323 0.000 0.961 242 K CA -0.487 55.697 56.287 -0.172 0.000 0.833 242 K CB 1.034 33.470 32.500 -0.108 0.000 1.102 242 K HN 0.405 nan 8.250 nan 0.000 0.436 243 Y N -0.455 119.833 120.300 -0.020 0.000 2.587 243 Y HA 0.326 4.876 4.550 -0.000 0.000 0.337 243 Y C 0.913 176.800 175.900 -0.021 0.000 1.065 243 Y CA -0.661 57.429 58.100 -0.017 0.000 1.126 243 Y CB 1.877 40.325 38.460 -0.019 0.000 1.279 243 Y HN 0.325 nan 8.280 nan 0.000 0.489 244 T N 3.034 117.673 114.554 0.141 0.000 2.875 244 T HA 0.198 4.548 4.350 -0.000 0.000 0.284 244 T C -1.822 172.917 174.700 0.064 0.000 0.995 244 T CA -1.838 60.306 62.100 0.072 0.000 1.060 244 T CB 1.112 70.015 68.868 0.057 0.000 0.967 244 T HN 0.385 nan 8.240 nan 0.000 0.476 245 P HA -0.132 nan 4.420 nan 0.000 0.216 245 P C 1.119 178.425 177.300 0.010 0.000 1.154 245 P CA 1.150 64.255 63.100 0.008 0.000 0.865 245 P CB 0.259 31.965 31.700 0.008 0.000 0.789 246 E N -0.476 119.738 120.200 0.023 0.000 2.118 246 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 246 E C 2.171 178.787 176.600 0.027 0.000 0.992 246 E CA 1.258 57.672 56.400 0.023 0.000 0.804 246 E CB -0.829 28.888 29.700 0.027 0.000 0.741 246 E HN 0.411 nan 8.360 nan 0.000 0.458 247 Q N -0.266 119.566 119.800 0.053 0.000 2.124 247 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 247 Q C 2.185 178.192 176.000 0.012 0.000 0.977 247 Q CA 1.090 56.937 55.803 0.073 0.000 0.850 247 Q CB 0.006 28.854 28.738 0.184 0.000 0.901 247 Q HN 0.157 nan 8.270 nan 0.000 0.429 248 V N 0.689 120.594 119.914 -0.015 0.000 2.343 248 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 248 V C 2.185 178.231 176.094 -0.080 0.000 1.051 248 V CA 1.849 64.101 62.300 -0.080 0.000 1.036 248 V CB -0.787 30.983 31.823 -0.088 0.000 0.654 248 V HN 0.418 nan 8.190 nan 0.000 0.451 249 A N -0.848 121.940 122.820 -0.053 0.000 1.902 249 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 249 A C 2.149 179.722 177.584 -0.018 0.000 1.181 249 A CA 2.378 54.388 52.037 -0.045 0.000 0.623 249 A CB -0.493 18.494 19.000 -0.023 0.000 0.818 249 A HN 0.491 nan 8.150 nan 0.000 0.443 250 M N -0.130 119.467 119.600 -0.005 0.000 2.132 250 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 250 M C 2.176 178.482 176.300 0.009 0.000 1.065 250 M CA 1.728 57.031 55.300 0.004 0.000 1.122 250 M CB -0.350 32.259 32.600 0.015 0.000 1.365 250 M HN 0.363 nan 8.290 nan 0.000 0.411 251 A N -1.223 121.597 122.820 -0.001 0.000 1.933 251 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 251 A C 2.159 179.754 177.584 0.018 0.000 1.175 251 A CA 2.220 54.260 52.037 0.005 0.000 0.628 251 A CB -1.288 17.693 19.000 -0.032 0.000 0.814 251 A HN 0.559 nan 8.150 nan 0.000 0.444 252 T N -0.552 114.000 114.554 -0.004 0.000 2.770 252 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 252 T C 1.871 176.630 174.700 0.097 0.000 1.039 252 T CA 1.522 63.638 62.100 0.027 0.000 1.142 252 T CB -0.314 68.519 68.868 -0.059 0.000 0.868 252 T HN 0.151 nan 8.240 nan 0.000 0.435 253 V N 1.718 121.684 119.914 0.086 0.000 2.427 253 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 253 V C 2.750 178.921 176.094 0.129 0.000 1.051 253 V CA 1.784 64.169 62.300 0.142 0.000 1.048 253 V CB -1.165 30.723 31.823 0.107 0.000 0.666 253 V HN 0.529 nan 8.190 nan 0.000 0.456 254 T N 0.733 115.334 114.554 0.078 0.000 2.684 254 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 254 T C 2.088 176.991 174.700 0.337 0.000 1.036 254 T CA 1.850 64.065 62.100 0.192 0.000 1.148 254 T CB -0.441 68.502 68.868 0.125 0.000 0.863 254 T HN 0.581 nan 8.240 nan 0.000 0.436 255 A N 1.089 124.019 122.820 0.184 0.000 1.898 255 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 255 A C 2.316 179.989 177.584 0.148 0.000 1.181 255 A CA 1.176 53.291 52.037 0.131 0.000 0.620 255 A CB -0.786 18.264 19.000 0.084 0.000 0.819 255 A HN 0.484 nan 8.150 nan 0.000 0.442 256 L N -0.304 121.018 121.223 0.165 0.000 2.093 256 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 256 L C 2.513 179.564 176.870 0.302 0.000 1.085 256 L CA 1.398 56.300 54.840 0.103 0.000 0.755 256 L CB -0.813 41.190 42.059 -0.093 0.000 0.904 256 L HN 0.735 nan 8.230 nan 0.000 0.435 257 H N 0.219 119.469 119.070 0.299 0.000 2.547 257 H HA 0.069 4.625 4.556 -0.000 0.000 0.266 257 H C 1.552 176.985 175.328 0.175 0.000 0.988 257 H CA 0.237 56.505 56.048 0.367 0.000 1.147 257 H CB -0.117 29.810 29.762 0.275 0.000 1.365 257 H HN 0.318 nan 8.280 nan 0.000 0.589 258 R N 0.533 121.008 120.500 -0.041 0.000 2.280 258 R HA 0.084 4.424 4.340 -0.000 0.000 0.195 258 R C 1.052 177.324 176.300 -0.046 0.000 0.935 258 R CA 1.118 57.121 56.100 -0.162 0.000 1.033 258 R CB 0.128 30.364 30.300 -0.106 0.000 0.964 258 R HN 0.554 nan 8.270 nan 0.000 0.489 259 T N -3.457 111.112 114.554 0.024 0.000 3.010 259 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 259 T C 0.626 175.314 174.700 -0.020 0.000 0.939 259 T CA -0.231 61.883 62.100 0.023 0.000 0.910 259 T CB 0.082 68.984 68.868 0.057 0.000 1.226 259 T HN -0.148 nan 8.240 nan 0.000 0.508 260 V N 4.727 124.621 119.914 -0.033 0.000 2.455 260 V HA 0.374 4.494 4.120 -0.000 0.000 0.273 260 V C -2.351 173.652 176.094 -0.152 0.000 1.045 260 V CA -1.812 60.311 62.300 -0.294 0.000 0.976 260 V CB 0.544 32.135 31.823 -0.387 0.000 0.993 260 V HN 0.287 nan 8.190 nan 0.000 0.475 261 P HA 0.124 nan 4.420 nan 0.000 0.269 261 P C 0.681 178.036 177.300 0.093 0.000 1.215 261 P CA -0.028 63.001 63.100 -0.118 0.000 0.780 261 P CB 0.759 32.332 31.700 -0.211 0.000 0.898 262 A N 3.128 125.977 122.820 0.048 0.000 1.972 262 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 262 A C 2.089 179.671 177.584 -0.002 0.000 1.169 262 A CA 1.899 53.916 52.037 -0.033 0.000 0.635 262 A CB -1.619 17.298 19.000 -0.138 0.000 0.810 262 A HN 0.566 nan 8.150 nan 0.000 0.446 263 A N -0.606 122.193 122.820 -0.034 0.000 2.131 263 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 263 A C 1.004 178.563 177.584 -0.041 0.000 1.158 263 A CA 1.015 53.013 52.037 -0.066 0.000 0.665 263 A CB -0.690 18.243 19.000 -0.112 0.000 0.795 263 A HN 0.316 nan 8.150 nan 0.000 0.460 264 V N 2.051 121.987 119.914 0.036 0.000 2.455 264 V HA 0.091 4.211 4.120 -0.000 0.000 0.273 264 V C -0.882 175.286 176.094 0.123 0.000 1.045 264 V CA -0.942 61.377 62.300 0.032 0.000 0.976 264 V CB 1.234 33.035 31.823 -0.037 0.000 0.993 264 V HN 0.331 nan 8.190 nan 0.000 0.475 265 P HA -0.017 nan 4.420 nan 0.000 0.215 265 P C 0.601 177.943 177.300 0.070 0.000 1.157 265 P CA 1.252 64.376 63.100 0.042 0.000 0.868 265 P CB 0.492 32.184 31.700 -0.013 0.000 0.788 266 G N -0.989 107.814 108.800 0.005 0.000 2.704 266 G HA2 0.625 4.585 3.960 -0.000 0.000 0.293 266 G HA3 0.625 4.585 3.960 -0.000 0.000 0.293 266 G C -1.718 173.089 174.900 -0.155 0.000 1.421 266 G CA -0.488 44.594 45.100 -0.030 0.000 0.870 266 G HN -0.051 nan 8.290 nan 0.000 0.492 267 I N 0.271 120.693 120.570 -0.247 0.000 2.447 267 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 267 I C -0.788 175.012 176.117 -0.527 0.000 1.023 267 I CA -0.543 60.490 61.300 -0.446 0.000 1.083 267 I CB 2.079 39.683 38.000 -0.660 0.000 1.245 267 I HN 0.315 nan 8.210 nan 0.000 0.434 268 C N 6.598 125.627 119.300 -0.452 0.000 2.294 268 C HA 0.459 4.919 4.460 -0.000 0.000 0.319 268 C C 0.284 175.137 174.990 -0.228 0.000 1.164 268 C CA -0.707 58.114 59.018 -0.328 0.000 1.497 268 C CB -0.718 26.868 27.740 -0.256 0.000 2.061 268 C HN 0.465 nan 8.230 nan 0.000 0.438 269 F N 3.143 123.142 119.950 0.082 0.000 2.496 269 F HA 0.347 4.874 4.527 -0.000 0.000 0.344 269 F C 0.777 176.739 175.800 0.271 0.000 1.155 269 F CA -0.560 57.535 58.000 0.160 0.000 1.302 269 F CB 0.453 39.578 39.000 0.208 0.000 1.159 269 F HN 0.450 nan 8.300 nan 0.000 0.595 270 L N -0.070 121.374 121.223 0.370 0.000 2.399 270 L HA 0.486 4.826 4.340 -0.000 0.000 0.266 270 L C 0.752 177.715 176.870 0.155 0.000 1.114 270 L CA -0.134 54.865 54.840 0.265 0.000 0.804 270 L CB 1.060 43.212 42.059 0.156 0.000 1.146 270 L HN 0.625 nan 8.230 nan 0.000 0.451 271 S N -0.004 115.657 115.700 -0.064 0.000 2.492 271 S HA 0.209 4.679 4.470 -0.000 0.000 0.218 271 S C 1.325 175.819 174.600 -0.177 0.000 1.016 271 S CA 0.121 58.129 58.200 -0.319 0.000 0.916 271 S CB -0.859 61.888 63.200 -0.755 0.000 0.791 271 S HN 1.554 nan 8.310 nan 0.000 0.513 272 G N 1.469 110.216 108.800 -0.087 0.000 2.216 272 G HA2 0.145 4.105 3.960 -0.000 0.000 0.263 272 G HA3 0.145 4.105 3.960 -0.000 0.000 0.263 272 G C 1.047 175.851 174.900 -0.159 0.000 0.837 272 G CA 0.307 45.364 45.100 -0.072 0.000 1.227 272 G HN 1.771 nan 8.290 nan 0.000 0.407 273 G N -0.326 108.429 108.800 -0.076 0.000 2.213 273 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.226 273 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.226 273 G C 0.620 175.491 174.900 -0.048 0.000 0.992 273 G CA 0.439 45.503 45.100 -0.061 0.000 0.632 273 G HN 0.877 nan 8.290 nan 0.000 0.511 274 M N 2.528 122.066 119.600 -0.103 0.000 2.238 274 M HA 0.396 4.876 4.480 -0.000 0.000 0.347 274 M C 1.461 177.709 176.300 -0.086 0.000 1.173 274 M CA 0.389 55.628 55.300 -0.101 0.000 1.147 274 M CB 0.913 33.418 32.600 -0.157 0.000 1.547 274 M HN 0.583 nan 8.290 nan 0.000 0.455 275 S N 1.834 117.500 115.700 -0.057 0.000 2.573 275 S HA 0.023 4.493 4.470 -0.000 0.000 0.277 275 S C 0.772 175.335 174.600 -0.063 0.000 1.346 275 S CA -0.417 57.758 58.200 -0.042 0.000 1.034 275 S CB 0.626 63.810 63.200 -0.026 0.000 0.879 275 S HN 0.785 nan 8.310 nan 0.000 0.528 276 E N 0.828 121.006 120.200 -0.037 0.000 2.086 276 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 276 E C 1.816 178.386 176.600 -0.049 0.000 1.012 276 E CA 1.752 58.131 56.400 -0.036 0.000 0.812 276 E CB -0.198 29.506 29.700 0.007 0.000 0.743 276 E HN 0.829 nan 8.360 nan 0.000 0.453 277 E N 1.076 121.257 120.200 -0.032 0.000 2.077 277 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 277 E C 1.591 178.155 176.600 -0.060 0.000 0.989 277 E CA 1.275 57.653 56.400 -0.036 0.000 0.800 277 E CB -0.159 29.532 29.700 -0.016 0.000 0.746 277 E HN 0.154 nan 8.360 nan 0.000 0.452 278 D N -0.230 120.134 120.400 -0.060 0.000 2.123 278 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 278 D C 1.672 177.928 176.300 -0.074 0.000 0.992 278 D CA 1.631 55.592 54.000 -0.064 0.000 0.833 278 D CB -0.407 40.356 40.800 -0.062 0.000 0.954 278 D HN 0.305 nan 8.370 nan 0.000 0.455 279 A N 0.053 122.812 122.820 -0.101 0.000 2.015 279 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 279 A C 2.264 179.889 177.584 0.069 0.000 1.163 279 A CA 1.729 53.705 52.037 -0.102 0.000 0.646 279 A CB -0.437 18.335 19.000 -0.379 0.000 0.806 279 A HN 0.229 nan 8.150 nan 0.000 0.448 280 T N 0.332 114.869 114.554 -0.028 0.000 2.781 280 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 280 T C 1.853 176.490 174.700 -0.105 0.000 1.039 280 T CA 1.083 63.090 62.100 -0.155 0.000 1.147 280 T CB -0.498 68.105 68.868 -0.442 0.000 0.865 280 T HN 0.327 nan 8.240 nan 0.000 0.423 281 L N 1.563 122.762 121.223 -0.040 0.000 2.010 281 L HA -0.271 4.069 4.340 -0.000 0.000 0.219 281 L C 2.626 179.510 176.870 0.022 0.000 1.077 281 L CA 1.416 56.285 54.840 0.050 0.000 0.773 281 L CB -1.019 41.058 42.059 0.030 0.000 0.892 281 L HN 0.226 nan 8.230 nan 0.000 0.436 282 N N 0.189 118.879 118.700 -0.016 0.000 2.018 282 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 282 N C 1.740 177.222 175.510 -0.047 0.000 1.043 282 N CA 1.622 54.643 53.050 -0.048 0.000 0.856 282 N CB -0.644 37.786 38.487 -0.096 0.000 1.042 282 N HN 0.209 nan 8.380 nan 0.000 0.423 283 L N 1.278 122.496 121.223 -0.007 0.000 2.141 283 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 283 L C 1.728 178.630 176.870 0.054 0.000 1.094 283 L CA 1.612 56.464 54.840 0.020 0.000 0.763 283 L CB -0.949 41.192 42.059 0.137 0.000 0.908 283 L HN 0.146 nan 8.230 nan 0.000 0.437 284 N N -0.112 118.624 118.700 0.060 0.000 2.106 284 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 284 N C 1.834 177.388 175.510 0.074 0.000 1.029 284 N CA 1.532 54.639 53.050 0.094 0.000 0.848 284 N CB -0.258 38.323 38.487 0.156 0.000 1.007 284 N HN 0.447 nan 8.380 nan 0.000 0.423 285 A N 0.127 122.977 122.820 0.050 0.000 2.067 285 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 285 A C 2.173 179.772 177.584 0.025 0.000 1.158 285 A CA 0.717 52.775 52.037 0.035 0.000 0.661 285 A CB -0.680 18.334 19.000 0.025 0.000 0.801 285 A HN 0.442 nan 8.150 nan 0.000 0.452 286 I N -0.543 120.034 120.570 0.012 0.000 2.394 286 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 286 I C 1.903 178.073 176.117 0.088 0.000 1.136 286 I CA 1.271 62.586 61.300 0.025 0.000 1.425 286 I CB -0.225 37.757 38.000 -0.031 0.000 1.079 286 I HN 0.379 nan 8.210 nan 0.000 0.425 287 N N -0.111 118.645 118.700 0.094 0.000 2.422 287 N HA 0.082 4.822 4.740 -0.000 0.000 0.181 287 N C 1.169 176.723 175.510 0.073 0.000 1.080 287 N CA 0.322 53.435 53.050 0.106 0.000 0.893 287 N CB 0.317 38.870 38.487 0.110 0.000 0.973 287 N HN 0.239 nan 8.380 nan 0.000 0.456 288 L N -0.299 120.958 121.223 0.058 0.000 2.667 288 L HA 0.266 4.606 4.340 -0.000 0.000 0.232 288 L C 0.062 176.950 176.870 0.030 0.000 1.138 288 L CA -0.469 54.395 54.840 0.041 0.000 0.921 288 L CB 0.225 42.307 42.059 0.039 0.000 1.180 288 L HN 0.188 nan 8.230 nan 0.000 0.487 289 C N 3.662 122.981 119.300 0.032 0.000 2.627 289 C HA 0.208 4.668 4.460 -0.000 0.000 0.404 289 C C -1.380 173.610 174.990 0.000 0.000 1.340 289 C CA -1.369 57.658 59.018 0.016 0.000 1.758 289 C CB 0.052 27.803 27.740 0.019 0.000 2.501 289 C HN 0.157 nan 8.230 nan 0.000 0.588 290 P HA 0.199 nan 4.420 nan 0.000 0.244 290 P C -0.870 176.404 177.300 -0.044 0.000 1.723 290 P CA 0.839 63.928 63.100 -0.018 0.000 1.110 290 P CB -0.404 31.290 31.700 -0.010 0.000 1.972 291 L N 2.665 123.849 121.223 -0.064 0.000 2.540 291 L HA 0.452 4.792 4.340 -0.000 0.000 0.256 291 L C -2.567 174.241 176.870 -0.104 0.000 1.001 291 L CA -2.911 51.855 54.840 -0.123 0.000 0.843 291 L CB 2.512 44.407 42.059 -0.273 0.000 1.436 291 L HN -0.153 nan 8.230 nan 0.000 0.410 292 P HA 0.043 nan 4.420 nan 0.000 0.260 292 P C -1.187 175.992 177.300 -0.203 0.000 1.185 292 P CA 0.251 63.291 63.100 -0.099 0.000 0.763 292 P CB 0.126 31.829 31.700 0.005 0.000 0.776 293 K N 5.148 125.368 120.400 -0.301 0.000 2.842 293 K HA 0.180 4.500 4.320 -0.000 0.000 0.176 293 K C -1.573 174.570 176.600 -0.762 0.000 1.080 293 K CA -1.199 54.791 56.287 -0.496 0.000 0.954 293 K CB 1.212 33.667 32.500 -0.074 0.000 1.203 293 K HN 0.340 nan 8.250 nan 0.000 0.611 294 P HA -0.159 nan 4.420 nan 0.000 0.223 294 P C -0.416 176.479 177.300 -0.674 0.000 1.144 294 P CA 1.017 63.594 63.100 -0.870 0.000 0.783 294 P CB 0.178 31.347 31.700 -0.886 0.000 0.771 295 W N 0.368 121.651 121.300 -0.027 0.000 2.671 295 W HA 0.419 5.079 4.660 -0.000 0.000 0.360 295 W C 0.329 176.828 176.519 -0.035 0.000 1.128 295 W CA -1.202 56.117 57.345 -0.043 0.000 1.184 295 W CB 0.328 29.751 29.460 -0.061 0.000 1.415 295 W HN -0.386 nan 8.180 nan 0.000 0.604 296 K N 1.584 122.120 120.400 0.228 0.000 2.258 296 K HA 0.383 4.703 4.320 -0.000 0.000 0.264 296 K C -0.477 176.220 176.600 0.163 0.000 1.007 296 K CA -0.494 55.877 56.287 0.140 0.000 0.941 296 K CB 0.653 33.178 32.500 0.042 0.000 0.966 296 K HN 0.400 nan 8.250 nan 0.000 0.480 297 L N 1.201 122.524 121.223 0.166 0.000 2.345 297 L HA 0.270 4.610 4.340 -0.000 0.000 0.274 297 L C 0.208 177.181 176.870 0.172 0.000 0.999 297 L CA -0.319 54.638 54.840 0.194 0.000 0.849 297 L CB 1.634 43.907 42.059 0.356 0.000 1.220 297 L HN 0.609 nan 8.230 nan 0.000 0.422 298 S N 2.066 117.812 115.700 0.076 0.000 2.900 298 S HA 0.780 5.250 4.470 -0.000 0.000 0.320 298 S C -1.085 173.565 174.600 0.083 0.000 1.130 298 S CA -0.493 57.742 58.200 0.057 0.000 0.863 298 S CB 1.261 64.347 63.200 -0.190 0.000 1.295 298 S HN 0.306 nan 8.310 nan 0.000 0.596 299 F N 0.289 120.114 119.950 -0.208 0.000 2.507 299 F HA 0.843 5.370 4.527 -0.000 0.000 0.327 299 F C -0.015 175.632 175.800 -0.256 0.000 1.068 299 F CA -0.944 56.774 58.000 -0.470 0.000 0.965 299 F CB 1.620 39.815 39.000 -1.341 0.000 1.192 299 F HN 0.323 nan 8.300 nan 0.000 0.476 300 S N 2.509 118.233 115.700 0.039 0.000 2.216 300 S HA 0.421 4.891 4.470 -0.000 0.000 0.156 300 S C -1.467 173.413 174.600 0.467 0.000 1.665 300 S CA -0.320 57.948 58.200 0.114 0.000 1.262 300 S CB -0.550 62.697 63.200 0.078 0.000 1.207 300 S HN 0.657 nan 8.310 nan 0.000 0.427 301 Y N 1.073 121.568 120.300 0.325 0.000 2.334 301 Y HA 0.487 5.037 4.550 -0.000 0.000 0.328 301 Y C 1.453 177.476 175.900 0.204 0.000 1.130 301 Y CA -0.993 57.263 58.100 0.260 0.000 1.163 301 Y CB 1.811 40.433 38.460 0.270 0.000 1.207 301 Y HN 0.603 nan 8.280 nan 0.000 0.471 302 G N 2.136 111.099 108.800 0.272 0.000 2.687 302 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.222 302 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.222 302 G C 1.168 176.146 174.900 0.130 0.000 1.445 302 G CA -0.172 45.033 45.100 0.174 0.000 0.836 302 G HN 0.516 nan 8.290 nan 0.000 0.598 303 R N 0.779 121.322 120.500 0.073 0.000 2.075 303 R HA 0.182 4.522 4.340 -0.000 0.000 0.232 303 R C 2.719 179.041 176.300 0.036 0.000 1.126 303 R CA 1.358 57.483 56.100 0.043 0.000 0.963 303 R CB -0.388 29.926 30.300 0.023 0.000 0.858 303 R HN 0.341 nan 8.270 nan 0.000 0.435 304 A N 0.141 122.952 122.820 -0.014 0.000 2.066 304 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 304 A C 1.811 179.471 177.584 0.127 0.000 1.157 304 A CA 0.897 52.921 52.037 -0.023 0.000 0.670 304 A CB -0.213 18.625 19.000 -0.270 0.000 0.804 304 A HN 0.210 nan 8.150 nan 0.000 0.453 305 L N -1.571 119.789 121.223 0.229 0.000 2.567 305 L HA 0.073 4.413 4.340 -0.000 0.000 0.225 305 L C 2.009 179.037 176.870 0.264 0.000 1.119 305 L CA 0.470 55.485 54.840 0.292 0.000 0.871 305 L CB 0.128 42.443 42.059 0.426 0.000 1.036 305 L HN 0.416 nan 8.230 nan 0.000 0.459 306 Q N -1.501 118.403 119.800 0.174 0.000 2.185 306 Q HA 0.222 4.562 4.340 -0.000 0.000 0.234 306 Q C 2.103 178.179 176.000 0.127 0.000 0.819 306 Q CA 0.425 56.326 55.803 0.162 0.000 0.961 306 Q CB 0.698 29.520 28.738 0.139 0.000 1.140 306 Q HN 0.399 nan 8.270 nan 0.000 0.492 307 A N 1.469 124.340 122.820 0.087 0.000 1.873 307 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 307 A C 2.216 179.843 177.584 0.072 0.000 1.193 307 A CA 2.450 54.520 52.037 0.055 0.000 0.629 307 A CB -0.745 18.279 19.000 0.041 0.000 0.826 307 A HN 0.419 nan 8.150 nan 0.000 0.447 308 S N -0.500 115.257 115.700 0.095 0.000 2.436 308 S HA 0.268 4.738 4.470 -0.000 0.000 0.228 308 S C 2.014 176.700 174.600 0.142 0.000 1.014 308 S CA 1.046 59.306 58.200 0.101 0.000 0.950 308 S CB -0.451 62.806 63.200 0.094 0.000 0.784 308 S HN 0.897 nan 8.310 nan 0.000 0.504 309 A N 2.100 125.030 122.820 0.184 0.000 1.902 309 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 309 A C 2.180 179.942 177.584 0.297 0.000 1.181 309 A CA 1.249 53.436 52.037 0.250 0.000 0.623 309 A CB -0.775 18.386 19.000 0.270 0.000 0.818 309 A HN 0.448 nan 8.150 nan 0.000 0.443 310 L N -0.301 121.025 121.223 0.172 0.000 2.017 310 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 310 L C 3.002 179.961 176.870 0.149 0.000 1.073 310 L CA 1.969 56.829 54.840 0.033 0.000 0.745 310 L CB -1.517 40.443 42.059 -0.165 0.000 0.894 310 L HN 0.427 nan 8.230 nan 0.000 0.432 311 A N -0.643 122.238 122.820 0.102 0.000 1.873 311 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 311 A C 2.468 180.117 177.584 0.108 0.000 1.193 311 A CA 2.469 54.554 52.037 0.080 0.000 0.629 311 A CB -1.032 18.008 19.000 0.066 0.000 0.826 311 A HN 0.454 nan 8.150 nan 0.000 0.447 312 A N -2.002 120.909 122.820 0.153 0.000 1.902 312 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 312 A C 1.985 179.710 177.584 0.235 0.000 1.181 312 A CA 1.684 53.819 52.037 0.163 0.000 0.623 312 A CB -0.836 18.262 19.000 0.163 0.000 0.818 312 A HN 0.895 nan 8.150 nan 0.000 0.443 313 W N 0.191 121.539 121.300 0.079 0.000 2.379 313 W HA 0.127 4.787 4.660 -0.000 0.000 0.307 313 W C 1.679 178.224 176.519 0.042 0.000 1.200 313 W CA 1.982 59.381 57.345 0.089 0.000 1.297 313 W CB -0.589 28.976 29.460 0.174 0.000 1.140 313 W HN 0.674 nan 8.180 nan 0.000 0.507 314 G N -0.116 108.682 108.800 -0.004 0.000 2.200 314 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.267 314 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.267 314 G C 1.258 175.700 174.900 -0.763 0.000 0.993 314 G CA 1.211 46.145 45.100 -0.276 0.000 0.701 314 G HN 1.579 nan 8.290 nan 0.000 0.524 315 G N -1.508 106.147 108.800 -1.908 0.000 2.143 315 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 315 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 315 G C 0.143 174.262 174.900 -1.302 0.000 0.991 315 G CA 1.031 44.519 45.100 -2.686 0.000 0.689 315 G HN 1.080 nan 8.290 nan 0.000 0.522 316 K N -0.257 119.581 120.400 -0.937 0.000 2.244 316 K HA 0.698 5.018 4.320 -0.000 0.000 0.260 316 K C 1.327 177.934 176.600 0.011 0.000 0.951 316 K CA -0.229 55.881 56.287 -0.294 0.000 0.826 316 K CB 1.828 34.224 32.500 -0.174 0.000 1.108 316 K HN 0.263 nan 8.250 nan 0.000 0.433 317 A N 2.575 125.462 122.820 0.112 0.000 1.972 317 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 317 A C 2.101 179.776 177.584 0.152 0.000 1.169 317 A CA 2.004 54.163 52.037 0.204 0.000 0.635 317 A CB -0.519 18.568 19.000 0.145 0.000 0.810 317 A HN 0.837 nan 8.150 nan 0.000 0.446 318 A N 0.352 123.226 122.820 0.090 0.000 2.024 318 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 318 A C 1.430 179.072 177.584 0.097 0.000 1.164 318 A CA 1.446 53.526 52.037 0.072 0.000 0.643 318 A CB -0.491 18.533 19.000 0.039 0.000 0.806 318 A HN 0.529 nan 8.150 nan 0.000 0.451 319 N N -0.180 118.603 118.700 0.138 0.000 2.413 319 N HA -0.006 4.734 4.740 -0.000 0.000 0.207 319 N C 1.139 176.777 175.510 0.215 0.000 1.206 319 N CA 0.486 53.641 53.050 0.175 0.000 0.832 319 N CB 0.096 38.688 38.487 0.175 0.000 1.037 319 N HN 0.703 nan 8.380 nan 0.000 0.467 320 K N 1.660 122.168 120.400 0.180 0.000 1.987 320 K HA -0.191 4.129 4.320 -0.000 0.000 0.216 320 K C 1.500 178.153 176.600 0.088 0.000 1.051 320 K CA 1.494 57.856 56.287 0.125 0.000 0.942 320 K CB 0.077 32.631 32.500 0.090 0.000 0.722 320 K HN 0.088 nan 8.250 nan 0.000 0.444 321 E N -0.456 119.791 120.200 0.079 0.000 2.058 321 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 321 E C 1.894 178.540 176.600 0.076 0.000 0.997 321 E CA 1.372 57.812 56.400 0.065 0.000 0.801 321 E CB -0.158 29.576 29.700 0.056 0.000 0.746 321 E HN 0.511 nan 8.360 nan 0.000 0.450 322 A N 0.162 123.037 122.820 0.091 0.000 2.015 322 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 322 A C 2.275 179.931 177.584 0.119 0.000 1.163 322 A CA 1.669 53.763 52.037 0.095 0.000 0.646 322 A CB -0.638 18.419 19.000 0.094 0.000 0.806 322 A HN 0.209 nan 8.150 nan 0.000 0.448 323 T N 0.337 114.976 114.554 0.140 0.000 2.622 323 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 323 T C 2.045 176.811 174.700 0.110 0.000 1.047 323 T CA 1.819 64.007 62.100 0.147 0.000 1.159 323 T CB -0.313 68.635 68.868 0.133 0.000 0.863 323 T HN 0.636 nan 8.240 nan 0.000 0.422 324 Q N 0.406 120.254 119.800 0.080 0.000 2.170 324 Q HA -0.090 4.250 4.340 -0.000 0.000 0.203 324 Q C 2.461 178.530 176.000 0.114 0.000 0.976 324 Q CA 0.873 56.736 55.803 0.101 0.000 0.858 324 Q CB -0.092 28.683 28.738 0.062 0.000 0.907 324 Q HN 0.563 nan 8.270 nan 0.000 0.433 325 E N 0.652 120.905 120.200 0.088 0.000 2.031 325 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 325 E C 2.014 178.659 176.600 0.076 0.000 0.994 325 E CA 1.187 57.626 56.400 0.065 0.000 0.800 325 E CB -0.081 29.657 29.700 0.062 0.000 0.752 325 E HN 0.330 nan 8.360 nan 0.000 0.447 326 A N 1.197 124.085 122.820 0.113 0.000 1.898 326 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 326 A C 1.994 179.687 177.584 0.181 0.000 1.181 326 A CA 1.137 53.251 52.037 0.129 0.000 0.620 326 A CB -0.738 18.350 19.000 0.148 0.000 0.819 326 A HN 0.304 nan 8.150 nan 0.000 0.442 327 F N 0.538 120.506 119.950 0.031 0.000 2.069 327 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 327 F C 2.219 178.030 175.800 0.018 0.000 1.113 327 F CA 1.936 59.949 58.000 0.021 0.000 1.214 327 F CB -0.498 38.489 39.000 -0.021 0.000 0.978 327 F HN 0.115 nan 8.300 nan 0.000 0.474 328 M N 0.385 119.875 119.600 -0.182 0.000 2.149 328 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 328 M C 2.293 178.480 176.300 -0.189 0.000 1.064 328 M CA 1.667 56.768 55.300 -0.332 0.000 1.102 328 M CB -1.128 31.378 32.600 -0.157 0.000 1.369 328 M HN 0.276 nan 8.290 nan 0.000 0.408 329 K N -0.044 120.318 120.400 -0.063 0.000 2.062 329 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 329 K C 2.003 178.578 176.600 -0.040 0.000 1.051 329 K CA 0.873 57.145 56.287 -0.026 0.000 0.941 329 K CB 0.109 32.621 32.500 0.021 0.000 0.719 329 K HN 0.155 nan 8.250 nan 0.000 0.440 330 R N 0.245 120.731 120.500 -0.024 0.000 2.148 330 R HA -0.040 4.300 4.340 -0.000 0.000 0.227 330 R C 2.215 178.426 176.300 -0.149 0.000 1.103 330 R CA 1.073 57.144 56.100 -0.049 0.000 0.983 330 R CB -0.513 29.816 30.300 0.048 0.000 0.874 330 R HN 0.281 nan 8.270 nan 0.000 0.451 331 A N 1.009 123.696 122.820 -0.222 0.000 1.930 331 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 331 A C 2.230 179.681 177.584 -0.222 0.000 1.175 331 A CA 1.121 52.994 52.037 -0.273 0.000 0.627 331 A CB -0.300 18.442 19.000 -0.430 0.000 0.815 331 A HN 0.155 nan 8.150 nan 0.000 0.443 332 M N -0.885 118.617 119.600 -0.164 0.000 2.200 332 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 332 M C 2.452 178.712 176.300 -0.067 0.000 1.066 332 M CA 1.276 56.524 55.300 -0.087 0.000 1.127 332 M CB -0.329 32.241 32.600 -0.050 0.000 1.379 332 M HN 0.462 nan 8.290 nan 0.000 0.420 333 A N 0.415 123.181 122.820 -0.089 0.000 2.016 333 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 333 A C 1.776 179.189 177.584 -0.285 0.000 1.162 333 A CA 1.132 53.117 52.037 -0.088 0.000 0.662 333 A CB -0.525 18.392 19.000 -0.139 0.000 0.812 333 A HN 0.444 nan 8.150 nan 0.000 0.450 334 N N -0.573 117.888 118.700 -0.398 0.000 2.354 334 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 334 N C 1.673 176.968 175.510 -0.358 0.000 1.021 334 N CA 1.231 53.920 53.050 -0.601 0.000 0.887 334 N CB -0.558 37.195 38.487 -1.224 0.000 0.974 334 N HN 0.561 nan 8.380 nan 0.000 0.437 335 C N 1.218 120.408 119.300 -0.183 0.000 2.450 335 C HA 0.037 4.497 4.460 -0.000 0.000 0.279 335 C C 2.562 177.593 174.990 0.068 0.000 1.335 335 C CA 0.614 59.675 59.018 0.072 0.000 1.749 335 C CB -0.794 26.987 27.740 0.069 0.000 1.963 335 C HN 0.404 nan 8.230 nan 0.000 0.501 336 Q N 0.079 119.907 119.800 0.047 0.000 2.083 336 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 336 Q C 2.474 178.547 176.000 0.122 0.000 0.969 336 Q CA 1.678 57.544 55.803 0.106 0.000 0.838 336 Q CB -0.199 28.653 28.738 0.191 0.000 0.900 336 Q HN 0.787 nan 8.270 nan 0.000 0.436 337 A N 0.644 123.516 122.820 0.088 0.000 1.897 337 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 337 A C 2.172 179.818 177.584 0.103 0.000 1.181 337 A CA 1.348 53.437 52.037 0.087 0.000 0.620 337 A CB -0.626 18.362 19.000 -0.020 0.000 0.821 337 A HN 0.392 nan 8.150 nan 0.000 0.443 338 A N -0.787 122.106 122.820 0.121 0.000 2.172 338 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 338 A C 1.744 179.400 177.584 0.119 0.000 1.154 338 A CA 1.500 53.633 52.037 0.159 0.000 0.701 338 A CB -0.274 18.846 19.000 0.199 0.000 0.789 338 A HN 0.494 nan 8.150 nan 0.000 0.465 339 K N -1.574 118.887 120.400 0.102 0.000 2.414 339 K HA 0.316 4.636 4.320 -0.000 0.000 0.204 339 K C 0.777 177.424 176.600 0.078 0.000 1.026 339 K CA 0.375 56.710 56.287 0.081 0.000 1.108 339 K CB 0.355 32.895 32.500 0.066 0.000 0.855 339 K HN 0.511 nan 8.250 nan 0.000 0.517 340 G N 2.045 110.900 108.800 0.091 0.000 2.147 340 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 340 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 340 G C 0.397 175.346 174.900 0.081 0.000 1.005 340 G CA 0.486 45.636 45.100 0.084 0.000 0.713 340 G HN 0.480 nan 8.290 nan 0.000 0.515 341 Q N -1.813 118.046 119.800 0.099 0.000 2.185 341 Q HA 0.287 4.627 4.340 -0.000 0.000 0.234 341 Q C 0.684 176.735 176.000 0.085 0.000 0.819 341 Q CA -0.527 55.321 55.803 0.075 0.000 0.961 341 Q CB 0.972 29.743 28.738 0.055 0.000 1.140 341 Q HN 0.553 nan 8.270 nan 0.000 0.492 342 Y N 1.607 121.921 120.300 0.024 0.000 2.497 342 Y HA 0.030 4.580 4.550 -0.000 0.000 0.334 342 Y C 0.993 176.917 175.900 0.039 0.000 1.199 342 Y CA 0.281 58.397 58.100 0.027 0.000 1.425 342 Y CB 0.804 39.279 38.460 0.026 0.000 1.291 342 Y HN -0.096 nan 8.280 nan 0.000 0.562 343 V N 0.864 120.321 119.914 -0.760 0.000 3.305 343 V HA 0.182 4.302 4.120 -0.000 0.000 0.247 343 V C -0.133 175.706 176.094 -0.426 0.000 1.426 343 V CA 0.498 62.542 62.300 -0.427 0.000 1.162 343 V CB -0.706 30.974 31.823 -0.237 0.000 0.961 343 V HN 0.977 nan 8.190 nan 0.000 0.449 344 H N 0.728 119.295 119.070 -0.838 0.000 3.905 344 H HA -0.162 4.394 4.556 -0.000 0.000 0.316 344 H C 0.194 175.430 175.328 -0.153 0.000 0.831 344 H CA 0.761 56.635 56.048 -0.291 0.000 0.929 344 H CB -0.487 29.273 29.762 -0.003 0.000 1.374 344 H HN 0.442 nan 8.280 nan 0.000 0.337 345 T N 3.822 117.957 114.554 -0.700 0.000 3.207 345 T HA 0.244 4.593 4.350 -0.000 0.000 0.229 345 T C 1.486 175.901 174.700 -0.476 0.000 0.999 345 T CA 1.084 62.916 62.100 -0.445 0.000 1.386 345 T CB -0.166 68.535 68.868 -0.278 0.000 1.130 345 T HN 0.635 nan 8.240 nan 0.000 0.435 346 G N 1.144 109.690 108.800 -0.422 0.000 3.198 346 G HA2 0.400 4.360 3.960 -0.000 0.000 0.203 346 G HA3 0.400 4.360 3.960 -0.000 0.000 0.203 346 G C -0.368 174.453 174.900 -0.130 0.000 1.950 346 G CA 0.100 45.077 45.100 -0.205 0.000 0.798 346 G HN 0.584 nan 8.290 nan 0.000 0.720 347 S N 0.638 116.320 115.700 -0.030 0.000 2.594 347 S HA 0.580 5.050 4.470 -0.000 0.000 0.322 347 S C -0.094 174.564 174.600 0.096 0.000 1.085 347 S CA -0.404 57.841 58.200 0.075 0.000 1.116 347 S CB 1.271 64.505 63.200 0.056 0.000 0.979 347 S HN 0.722 nan 8.310 nan 0.000 0.465 348 S N 2.816 118.643 115.700 0.211 0.000 2.584 348 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 348 S C 0.830 175.492 174.600 0.103 0.000 1.346 348 S CA -0.466 57.833 58.200 0.165 0.000 1.018 348 S CB 0.039 63.378 63.200 0.232 0.000 0.899 348 S HN 1.084 nan 8.310 nan 0.000 0.542 349 G N -0.393 108.455 108.800 0.080 0.000 2.467 349 G HA2 0.468 4.428 3.960 -0.000 0.000 0.257 349 G HA3 0.468 4.428 3.960 -0.000 0.000 0.257 349 G C 1.017 175.950 174.900 0.054 0.000 1.227 349 G CA -0.441 44.695 45.100 0.060 0.000 0.835 349 G HN 1.024 nan 8.290 nan 0.000 0.556 350 A N 2.054 124.899 122.820 0.042 0.000 1.997 350 A HA -0.021 4.299 4.320 -0.000 0.000 0.221 350 A C 2.737 180.339 177.584 0.031 0.000 1.172 350 A CA 2.560 54.617 52.037 0.033 0.000 0.645 350 A CB -0.634 18.381 19.000 0.025 0.000 0.813 350 A HN 1.434 nan 8.150 nan 0.000 0.454 351 A N -1.881 120.962 122.820 0.038 0.000 1.986 351 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 351 A C 1.451 179.057 177.584 0.037 0.000 1.171 351 A CA 1.758 53.819 52.037 0.039 0.000 0.640 351 A CB -0.253 18.778 19.000 0.052 0.000 0.811 351 A HN 0.554 nan 8.150 nan 0.000 0.451 352 S N -1.941 113.782 115.700 0.040 0.000 2.564 352 S HA 0.295 4.765 4.470 -0.000 0.000 0.141 352 S C 0.552 175.166 174.600 0.023 0.000 1.474 352 S CA 0.132 58.348 58.200 0.027 0.000 1.236 352 S CB 0.524 63.734 63.200 0.017 0.000 1.481 352 S HN 0.654 nan 8.310 nan 0.000 0.397 353 T N -1.262 113.304 114.554 0.020 0.000 3.001 353 T HA 0.106 4.456 4.350 -0.000 0.000 0.251 353 T C 1.335 176.036 174.700 0.003 0.000 1.040 353 T CA 0.019 62.125 62.100 0.010 0.000 0.985 353 T CB 0.084 68.964 68.868 0.019 0.000 1.011 353 T HN 0.484 nan 8.240 nan 0.000 0.509 354 Q N 2.260 122.062 119.800 0.005 0.000 2.384 354 Q HA 0.207 4.547 4.340 -0.000 0.000 0.207 354 Q C 0.024 176.022 176.000 -0.003 0.000 0.904 354 Q CA 0.767 56.571 55.803 0.001 0.000 0.933 354 Q CB 0.121 28.862 28.738 0.004 0.000 1.077 354 Q HN 0.671 nan 8.270 nan 0.000 0.522 355 S N -0.767 114.931 115.700 -0.003 0.000 2.813 355 S HA -0.077 4.393 4.470 -0.000 0.000 0.857 355 S C -0.927 173.680 174.600 0.011 0.000 0.865 355 S CA 0.063 58.262 58.200 -0.001 0.000 1.493 355 S CB -1.412 61.782 63.200 -0.011 0.000 1.073 355 S HN 0.392 nan 8.310 nan 0.000 0.228 356 L N 4.183 125.424 121.223 0.030 0.000 2.488 356 L HA 0.681 5.021 4.340 -0.000 0.000 0.250 356 L C -0.246 176.717 176.870 0.155 0.000 1.280 356 L CA -0.599 54.278 54.840 0.061 0.000 0.929 356 L CB 0.614 42.695 42.059 0.035 0.000 1.200 356 L HN 0.616 nan 8.230 nan 0.000 0.495 357 F N 0.569 120.506 119.950 -0.022 0.000 2.518 357 F HA 0.697 5.224 4.527 -0.000 0.000 0.338 357 F C 0.310 176.096 175.800 -0.023 0.000 1.065 357 F CA -0.925 57.069 58.000 -0.010 0.000 1.012 357 F CB 2.259 41.267 39.000 0.015 0.000 1.297 357 F HN -0.033 nan 8.300 nan 0.000 0.489 358 T N 2.827 117.206 114.554 -0.292 0.000 3.009 358 T HA 0.604 4.954 4.350 -0.000 0.000 0.346 358 T C -0.818 173.136 174.700 -1.244 0.000 1.092 358 T CA -0.409 61.373 62.100 -0.530 0.000 1.080 358 T CB 0.182 68.895 68.868 -0.258 0.000 1.037 358 T HN 0.759 nan 8.240 nan 0.000 0.487 359 A N 2.805 124.960 122.820 -1.109 0.000 2.492 359 A HA 0.618 4.938 4.320 -0.000 0.000 0.254 359 A C 0.312 177.633 177.584 -0.438 0.000 1.091 359 A CA -0.181 51.327 52.037 -0.881 0.000 0.768 359 A CB -0.499 18.278 19.000 -0.371 0.000 1.028 359 A HN 1.009 nan 8.150 nan 0.000 0.498 360 C N 0.000 119.129 119.300 -0.284 0.000 2.653 360 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 360 C CA 0.000 58.934 59.018 -0.140 0.000 1.963 360 C CB 0.000 27.652 27.740 -0.147 0.000 2.134 360 C HN 0.000 nan 8.230 nan 0.000 0.568