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 2c7t_1_A DATA FIRST_RESID 6 DATA SEQUENCE DHWPEWPQHS DRTRRKIEEV FQSNRWAISG YWTGEESMER KFAKAFADFN DATA SEQUENCE GVPYCVPTTS GSTALMLALE ALGIGEGDEV IVPSLTWIAT ATAVLNVNAL DATA SEQUENCE PVFVDVEADT YCIDPQLIKS AITDKTKAII PVHLFGSMAN MDEINEIAQE DATA SEQUENCE HNLFVIEDCA QSHGSVWNNQ RAGTIGDIGA FSCQQGKVLT AGEGGIIVTK DATA SEQUENCE NPRLFELIQQ LRADSRVYCD DSSELMHGDM QLVKKGDIQG SNYCLSEFQS DATA SEQUENCE AILLDQLQEL DDKNAIREKN AMFLNDALSK IDGIKVMKRP PQVSRQTYYG DATA SEQUENCE YVFRFDPVKF GGLNADQFCE ILREKLNMGT FYLHPPYLPV HKNPLFCPWT DATA SEQUENCE KNRYLKSVRK TEAYWRGLHY PVSERASGQS IVIHHAILLA EPSHLSLLVD DATA SEQUENCE AVAELARKFC VT 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.195 176.300 -0.174 0.000 2.045 6 D CA 0.000 53.942 54.000 -0.096 0.000 0.868 6 D CB 0.000 40.747 40.800 -0.089 0.000 0.688 7 H N -1.251 117.722 119.070 -0.163 0.000 2.949 7 H HA 0.860 5.416 4.556 -0.000 0.000 0.310 7 H C -0.697 174.494 175.328 -0.229 0.000 1.405 7 H CA -1.175 54.744 56.048 -0.214 0.000 1.253 7 H CB 0.745 30.472 29.762 -0.058 0.000 1.932 7 H HN 0.775 nan 8.280 nan 0.000 0.602 8 W N 0.820 122.084 121.300 -0.060 0.000 2.150 8 W HA 0.441 5.101 4.660 -0.000 0.000 0.341 8 W C -2.121 174.361 176.519 -0.062 0.000 1.276 8 W CA -1.198 56.113 57.345 -0.058 0.000 1.238 8 W CB 0.067 29.454 29.460 -0.121 0.000 1.128 8 W HN 0.548 nan 8.180 nan 0.000 0.581 9 P HA 0.007 nan 4.420 nan 0.000 0.268 9 P C -0.556 176.811 177.300 0.112 0.000 1.205 9 P CA 0.205 63.412 63.100 0.179 0.000 0.771 9 P CB 0.626 32.462 31.700 0.227 0.000 0.858 10 E N 0.813 121.107 120.200 0.156 0.000 2.281 10 E HA 0.503 4.853 4.350 -0.000 0.000 0.257 10 E C -1.230 175.642 176.600 0.453 0.000 0.971 10 E CA -0.669 55.848 56.400 0.195 0.000 0.839 10 E CB 1.604 31.386 29.700 0.136 0.000 1.238 10 E HN 0.461 nan 8.360 nan 0.000 0.412 11 W N 1.615 123.071 121.300 0.261 0.000 3.138 11 W HA 0.347 5.006 4.660 -0.000 0.000 0.331 11 W C -2.672 173.922 176.519 0.125 0.000 1.166 11 W CA -1.551 55.943 57.345 0.248 0.000 1.212 11 W CB 1.462 31.155 29.460 0.389 0.000 1.399 11 W HN 0.464 nan 8.180 nan 0.000 0.514 12 P HA 0.185 nan 4.420 nan 0.000 0.275 12 P C -1.367 175.593 177.300 -0.568 0.000 1.270 12 P CA 0.181 62.701 63.100 -0.967 0.000 0.791 12 P CB 0.643 31.991 31.700 -0.586 0.000 1.089 13 Q N -0.650 118.737 119.800 -0.689 0.000 2.331 13 Q HA 0.482 4.822 4.340 -0.000 0.000 0.272 13 Q C -0.877 175.047 176.000 -0.127 0.000 1.062 13 Q CA -0.663 54.983 55.803 -0.262 0.000 0.806 13 Q CB 2.238 30.884 28.738 -0.153 0.000 1.312 13 Q HN 0.700 nan 8.270 nan 0.000 0.431 14 H N -1.394 117.592 119.070 -0.140 0.000 2.966 14 H HA 0.826 5.382 4.556 -0.000 0.000 0.330 14 H C -1.018 174.279 175.328 -0.052 0.000 1.292 14 H CA -0.712 55.276 56.048 -0.100 0.000 1.127 14 H CB 1.722 31.420 29.762 -0.106 0.000 1.863 14 H HN 0.627 nan 8.280 nan 0.000 0.543 15 S N -0.619 115.018 115.700 -0.106 0.000 2.776 15 S HA 0.220 4.690 4.470 -0.000 0.000 0.292 15 S C -0.312 174.300 174.600 0.021 0.000 1.187 15 S CA -0.594 57.529 58.200 -0.128 0.000 0.834 15 S CB 1.279 64.439 63.200 -0.066 0.000 1.199 15 S HN 0.679 nan 8.310 nan 0.000 0.514 16 D N 0.893 121.296 120.400 0.005 0.000 2.263 16 D HA 0.009 4.649 4.640 -0.000 0.000 0.208 16 D C 2.394 178.718 176.300 0.040 0.000 0.971 16 D CA 1.450 55.472 54.000 0.037 0.000 0.867 16 D CB -0.485 40.326 40.800 0.019 0.000 0.929 16 D HN 0.640 nan 8.370 nan 0.000 0.492 17 R N 0.774 121.292 120.500 0.029 0.000 2.092 17 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 17 R C 2.336 178.656 176.300 0.033 0.000 1.119 17 R CA 1.816 57.933 56.100 0.028 0.000 0.970 17 R CB -1.844 28.469 30.300 0.022 0.000 0.864 17 R HN 0.246 nan 8.270 nan 0.000 0.440 18 T N 0.510 115.092 114.554 0.047 0.000 2.746 18 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 18 T C 2.115 176.834 174.700 0.032 0.000 1.039 18 T CA 1.367 63.491 62.100 0.039 0.000 1.142 18 T CB -0.228 68.686 68.868 0.077 0.000 0.866 18 T HN 0.555 nan 8.240 nan 0.000 0.444 19 R N 0.908 121.444 120.500 0.059 0.000 2.081 19 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 19 R C 2.769 179.100 176.300 0.051 0.000 1.131 19 R CA 1.179 57.310 56.100 0.051 0.000 0.960 19 R CB -0.247 30.093 30.300 0.066 0.000 0.856 19 R HN 0.375 nan 8.270 nan 0.000 0.436 20 R N 0.587 121.114 120.500 0.046 0.000 2.096 20 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 20 R C 2.170 178.491 176.300 0.035 0.000 1.127 20 R CA 0.964 57.090 56.100 0.044 0.000 0.968 20 R CB -0.078 30.242 30.300 0.035 0.000 0.861 20 R HN 0.050 nan 8.270 nan 0.000 0.440 21 K N 0.606 121.017 120.400 0.018 0.000 2.057 21 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 21 K C 2.039 178.628 176.600 -0.019 0.000 1.050 21 K CA 0.951 57.236 56.287 -0.004 0.000 0.935 21 K CB -0.185 32.305 32.500 -0.016 0.000 0.715 21 K HN 0.160 nan 8.250 nan 0.000 0.439 22 I N 1.622 122.189 120.570 -0.005 0.000 2.226 22 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 22 I C 2.111 178.246 176.117 0.029 0.000 1.100 22 I CA 1.210 62.497 61.300 -0.022 0.000 1.374 22 I CB -0.801 37.195 38.000 -0.007 0.000 1.057 22 I HN 0.176 nan 8.210 nan 0.000 0.413 23 E N 0.850 121.133 120.200 0.137 0.000 2.153 23 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 23 E C 2.060 178.760 176.600 0.167 0.000 0.988 23 E CA 0.911 57.453 56.400 0.237 0.000 0.811 23 E CB -0.040 29.755 29.700 0.158 0.000 0.746 23 E HN 0.546 nan 8.360 nan 0.000 0.466 24 E N -0.072 120.168 120.200 0.067 0.000 2.106 24 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 24 E C 2.163 178.762 176.600 -0.003 0.000 0.984 24 E CA 0.887 57.304 56.400 0.029 0.000 0.806 24 E CB 0.142 29.839 29.700 -0.005 0.000 0.750 24 E HN 0.036 nan 8.360 nan 0.000 0.458 25 V N 0.734 120.596 119.914 -0.086 0.000 2.295 25 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 25 V C 1.918 177.989 176.094 -0.038 0.000 1.049 25 V CA 1.590 63.758 62.300 -0.220 0.000 1.024 25 V CB -0.495 30.982 31.823 -0.577 0.000 0.648 25 V HN 0.189 nan 8.190 nan 0.000 0.447 26 F N 0.139 120.165 119.950 0.127 0.000 2.134 26 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 26 F C 2.658 178.568 175.800 0.184 0.000 1.097 26 F CA 1.321 59.474 58.000 0.256 0.000 1.264 26 F CB -0.792 38.327 39.000 0.198 0.000 1.001 26 F HN 0.135 nan 8.300 nan 0.000 0.479 27 Q N -0.062 119.911 119.800 0.288 0.000 2.124 27 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 27 Q C 2.493 178.560 176.000 0.113 0.000 0.977 27 Q CA 1.827 57.731 55.803 0.168 0.000 0.850 27 Q CB -0.984 27.819 28.738 0.108 0.000 0.901 27 Q HN 0.513 nan 8.270 nan 0.000 0.429 28 S N 0.324 116.066 115.700 0.070 0.000 2.453 28 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 28 S C 0.991 175.589 174.600 -0.002 0.000 1.005 28 S CA 0.905 59.100 58.200 -0.008 0.000 0.949 28 S CB -0.166 62.981 63.200 -0.089 0.000 0.774 28 S HN 0.436 nan 8.310 nan 0.000 0.510 29 N N 0.938 119.694 118.700 0.092 0.000 2.708 29 N HA -0.219 4.520 4.740 -0.000 0.000 0.251 29 N C -0.211 175.175 175.510 -0.207 0.000 1.123 29 N CA 0.949 54.013 53.050 0.024 0.000 0.739 29 N CB -1.427 37.050 38.487 -0.016 0.000 1.113 29 N HN 0.752 nan 8.380 nan 0.000 0.561 30 R N 0.008 120.442 120.500 -0.110 0.000 2.320 30 R HA 0.237 4.577 4.340 -0.000 0.000 0.319 30 R C -0.148 176.142 176.300 -0.017 0.000 0.969 30 R CA -0.592 55.385 56.100 -0.205 0.000 0.857 30 R CB 0.130 30.285 30.300 -0.241 0.000 1.160 30 R HN 0.186 nan 8.270 nan 0.000 0.491 31 W N 2.398 123.501 121.300 -0.328 0.000 3.211 31 W HA 0.385 5.044 4.660 -0.000 0.000 0.292 31 W C 0.236 176.575 176.519 -0.300 0.000 1.268 31 W CA -0.340 56.741 57.345 -0.441 0.000 1.702 31 W CB 0.360 29.677 29.460 -0.239 0.000 1.092 31 W HN 0.506 nan 8.180 nan 0.000 0.643 32 A N 0.492 123.310 122.820 -0.003 0.000 2.539 32 A HA 0.517 4.837 4.320 -0.000 0.000 0.296 32 A C 0.700 178.276 177.584 -0.013 0.000 1.073 32 A CA -0.550 51.485 52.037 -0.003 0.000 0.700 32 A CB 0.765 19.780 19.000 0.026 0.000 1.296 32 A HN 0.136 nan 8.150 nan 0.000 0.405 33 I N -0.636 119.949 120.570 0.024 0.000 2.676 33 I HA -0.072 4.098 4.170 -0.000 0.000 0.259 33 I C 1.467 177.626 176.117 0.070 0.000 1.194 33 I CA 2.012 63.353 61.300 0.070 0.000 1.473 33 I CB -0.088 37.986 38.000 0.124 0.000 1.096 33 I HN 0.448 nan 8.210 nan 0.000 0.443 34 S N 0.799 116.521 115.700 0.038 0.000 2.603 34 S HA 0.284 4.754 4.470 -0.000 0.000 0.220 34 S C 1.219 175.832 174.600 0.021 0.000 0.967 34 S CA -0.047 58.172 58.200 0.033 0.000 0.920 34 S CB -0.742 62.467 63.200 0.015 0.000 0.773 34 S HN 0.571 nan 8.310 nan 0.000 0.529 35 G N 1.043 109.831 108.800 -0.021 0.000 2.616 35 G HA2 0.480 4.440 3.960 -0.000 0.000 0.268 35 G HA3 0.480 4.440 3.960 -0.000 0.000 0.268 35 G C -0.310 174.565 174.900 -0.041 0.000 1.213 35 G CA -0.934 44.098 45.100 -0.112 0.000 0.926 35 G HN 0.484 nan 8.290 nan 0.000 0.523 36 Y N -2.018 118.279 120.300 -0.006 0.000 2.326 36 Y HA 0.488 5.037 4.550 -0.000 0.000 0.324 36 Y C 0.426 176.341 175.900 0.024 0.000 1.291 36 Y CA -2.861 55.256 58.100 0.028 0.000 1.348 36 Y CB 0.633 39.099 38.460 0.011 0.000 1.294 36 Y HN 0.572 nan 8.280 nan 0.000 0.525 37 W N 3.614 125.000 121.300 0.142 0.000 2.264 37 W HA 0.153 4.813 4.660 -0.000 0.000 0.331 37 W C -0.147 176.316 176.519 -0.093 0.000 1.364 37 W CA 0.847 58.203 57.345 0.018 0.000 1.253 37 W CB 1.192 30.665 29.460 0.022 0.000 1.215 37 W HN 0.865 nan 8.180 nan 0.000 0.561 38 T N 2.066 116.299 114.554 -0.535 0.000 3.266 38 T HA 0.389 4.739 4.350 -0.000 0.000 0.278 38 T C 0.849 175.339 174.700 -0.350 0.000 1.010 38 T CA 0.272 62.043 62.100 -0.549 0.000 0.909 38 T CB 0.232 68.903 68.868 -0.328 0.000 1.122 38 T HN 0.877 nan 8.240 nan 0.000 0.536 39 G N 0.993 109.420 108.800 -0.621 0.000 2.491 39 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.203 39 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.203 39 G C -0.247 174.469 174.900 -0.306 0.000 1.052 39 G CA -0.219 44.770 45.100 -0.185 0.000 0.675 39 G HN 0.616 nan 8.290 nan 0.000 0.504 40 E N 0.169 119.917 120.200 -0.752 0.000 2.393 40 E HA 0.561 4.911 4.350 -0.000 0.000 0.265 40 E C -0.748 175.270 176.600 -0.971 0.000 0.941 40 E CA -1.003 55.080 56.400 -0.527 0.000 0.801 40 E CB 1.776 31.340 29.700 -0.228 0.000 1.313 40 E HN 0.133 nan 8.360 nan 0.000 0.435 41 E N 0.980 120.982 120.200 -0.331 0.000 2.415 41 E HA 0.024 4.374 4.350 -0.000 0.000 0.262 41 E C -0.707 175.779 176.600 -0.189 0.000 1.038 41 E CA 0.013 56.336 56.400 -0.129 0.000 0.921 41 E CB 0.559 30.322 29.700 0.106 0.000 0.950 41 E HN 0.454 nan 8.360 nan 0.000 0.438 42 S N 4.220 119.870 115.700 -0.082 0.000 2.589 42 S HA 0.038 4.508 4.470 -0.000 0.000 0.265 42 S C 1.300 175.885 174.600 -0.025 0.000 1.342 42 S CA -0.652 57.508 58.200 -0.067 0.000 1.005 42 S CB 0.645 63.857 63.200 0.021 0.000 0.909 42 S HN 0.608 nan 8.310 nan 0.000 0.555 43 M N 0.724 120.300 119.600 -0.039 0.000 2.229 43 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 43 M C 2.218 178.564 176.300 0.076 0.000 1.063 43 M CA 1.360 56.657 55.300 -0.005 0.000 1.114 43 M CB -1.519 31.043 32.600 -0.063 0.000 1.387 43 M HN 0.971 nan 8.290 nan 0.000 0.420 44 E N 0.414 120.663 120.200 0.082 0.000 2.058 44 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 44 E C 2.076 178.793 176.600 0.195 0.000 0.997 44 E CA 1.142 57.642 56.400 0.168 0.000 0.801 44 E CB 0.141 29.944 29.700 0.172 0.000 0.746 44 E HN 0.364 nan 8.360 nan 0.000 0.450 45 R N 0.488 121.057 120.500 0.116 0.000 2.092 45 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 45 R C 2.358 178.697 176.300 0.065 0.000 1.119 45 R CA 0.965 57.095 56.100 0.051 0.000 0.970 45 R CB -0.327 29.946 30.300 -0.046 0.000 0.864 45 R HN 0.145 nan 8.270 nan 0.000 0.440 46 K N -0.082 120.367 120.400 0.081 0.000 2.057 46 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 46 K C 1.894 178.566 176.600 0.120 0.000 1.049 46 K CA 1.344 57.679 56.287 0.081 0.000 0.931 46 K CB -0.280 32.262 32.500 0.070 0.000 0.714 46 K HN 0.033 nan 8.250 nan 0.000 0.440 47 F N 1.463 121.434 119.950 0.034 0.000 2.146 47 F HA -0.081 4.446 4.527 0.000 0.000 0.298 47 F C 2.062 177.919 175.800 0.094 0.000 1.096 47 F CA 1.160 59.188 58.000 0.047 0.000 1.275 47 F CB -0.569 38.440 39.000 0.014 0.000 1.008 47 F HN -0.030 nan 8.300 nan 0.000 0.480 48 A N 0.772 123.533 122.820 -0.098 0.000 1.908 48 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 48 A C 2.378 179.899 177.584 -0.105 0.000 1.181 48 A CA 1.873 53.832 52.037 -0.130 0.000 0.627 48 A CB -0.848 18.217 19.000 0.109 0.000 0.818 48 A HN 0.337 nan 8.150 nan 0.000 0.445 49 K N 0.017 120.387 120.400 -0.049 0.000 2.025 49 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 49 K C 2.209 178.772 176.600 -0.062 0.000 1.049 49 K CA 1.525 57.787 56.287 -0.041 0.000 0.933 49 K CB -0.628 31.865 32.500 -0.013 0.000 0.714 49 K HN 0.360 nan 8.250 nan 0.000 0.438 50 A N 0.308 123.090 122.820 -0.065 0.000 1.902 50 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 50 A C 2.149 179.690 177.584 -0.071 0.000 1.181 50 A CA 1.356 53.368 52.037 -0.041 0.000 0.623 50 A CB -0.798 18.212 19.000 0.015 0.000 0.818 50 A HN 0.393 nan 8.150 nan 0.000 0.443 51 F N 0.667 120.379 119.950 -0.397 0.000 2.234 51 F HA 0.040 4.567 4.527 0.000 0.000 0.299 51 F C 2.488 178.200 175.800 -0.146 0.000 1.087 51 F CA 0.749 58.530 58.000 -0.365 0.000 1.340 51 F CB -0.254 38.272 39.000 -0.790 0.000 1.031 51 F HN 0.250 nan 8.300 nan 0.000 0.500 52 A N -0.128 122.635 122.820 -0.095 0.000 1.902 52 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 52 A C 2.039 179.532 177.584 -0.152 0.000 1.181 52 A CA 1.980 53.947 52.037 -0.116 0.000 0.623 52 A CB -0.881 18.056 19.000 -0.104 0.000 0.818 52 A HN 0.372 nan 8.150 nan 0.000 0.443 53 D N -1.126 119.207 120.400 -0.112 0.000 2.117 53 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 53 D C 1.639 177.876 176.300 -0.105 0.000 0.982 53 D CA 1.186 55.130 54.000 -0.094 0.000 0.828 53 D CB -0.442 40.329 40.800 -0.048 0.000 0.967 53 D HN 0.460 nan 8.370 nan 0.000 0.464 54 F N 1.855 121.642 119.950 -0.272 0.000 2.095 54 F HA -0.189 4.338 4.527 0.000 0.000 0.298 54 F C 1.744 177.333 175.800 -0.352 0.000 1.104 54 F CA 1.346 59.160 58.000 -0.310 0.000 1.232 54 F CB -0.215 38.533 39.000 -0.420 0.000 0.987 54 F HN -0.171 nan 8.300 nan 0.000 0.475 55 N N -0.017 118.415 118.700 -0.446 0.000 2.398 55 N HA 0.127 4.867 4.740 -0.000 0.000 0.188 55 N C 0.863 176.218 175.510 -0.259 0.000 1.122 55 N CA 0.887 53.688 53.050 -0.414 0.000 0.866 55 N CB -0.054 38.226 38.487 -0.347 0.000 0.970 55 N HN 0.403 nan 8.380 nan 0.000 0.462 56 G N 0.208 108.870 108.800 -0.230 0.000 2.305 56 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.287 56 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.287 56 G C -0.301 174.515 174.900 -0.140 0.000 1.036 56 G CA 0.737 45.736 45.100 -0.168 0.000 0.887 56 G HN 0.313 nan 8.290 nan 0.000 0.505 57 V N -0.436 119.390 119.914 -0.146 0.000 2.680 57 V HA 0.684 4.804 4.120 -0.000 0.000 0.309 57 V C -0.923 175.037 176.094 -0.223 0.000 1.052 57 V CA -1.458 60.764 62.300 -0.130 0.000 0.908 57 V CB 1.999 33.795 31.823 -0.046 0.000 1.001 57 V HN 0.056 nan 8.190 nan 0.000 0.431 58 P HA -0.008 nan 4.420 nan 0.000 0.216 58 P C -1.034 175.687 177.300 -0.964 0.000 1.153 58 P CA 1.366 64.027 63.100 -0.732 0.000 0.848 58 P CB 0.060 31.177 31.700 -0.972 0.000 0.787 59 Y N -2.294 117.873 120.300 -0.221 0.000 2.446 59 Y HA 0.530 5.080 4.550 -0.000 0.000 0.345 59 Y C -0.217 175.635 175.900 -0.080 0.000 0.984 59 Y CA -1.374 56.503 58.100 -0.372 0.000 1.058 59 Y CB 1.284 39.370 38.460 -0.624 0.000 1.220 59 Y HN -0.153 nan 8.280 nan 0.000 0.455 60 C N 3.317 122.712 119.300 0.158 0.000 2.551 60 C HA 0.879 5.338 4.460 -0.000 0.000 0.332 60 C C -1.501 173.696 174.990 0.345 0.000 1.139 60 C CA -0.550 58.609 59.018 0.234 0.000 1.328 60 C CB 0.021 27.848 27.740 0.145 0.000 1.903 60 C HN 0.655 nan 8.230 nan 0.000 0.459 61 V N 8.036 128.138 119.914 0.314 0.000 2.409 61 V HA 0.432 4.552 4.120 -0.000 0.000 0.290 61 V C -2.246 173.971 176.094 0.204 0.000 1.017 61 V CA -1.164 61.311 62.300 0.292 0.000 0.841 61 V CB 1.720 33.687 31.823 0.240 0.000 1.003 61 V HN 0.764 nan 8.190 nan 0.000 0.426 62 P HA 0.428 nan 4.420 nan 0.000 0.274 62 P C -0.132 177.251 177.300 0.139 0.000 1.231 62 P CA 0.307 63.525 63.100 0.197 0.000 0.790 62 P CB 1.114 32.979 31.700 0.276 0.000 0.951 63 T N -1.096 113.519 114.554 0.102 0.000 2.618 63 T HA 0.343 4.693 4.350 -0.000 0.000 0.286 63 T C 1.223 175.963 174.700 0.067 0.000 1.027 63 T CA 0.126 62.280 62.100 0.089 0.000 1.063 63 T CB 0.138 69.046 68.868 0.067 0.000 1.440 63 T HN 0.397 nan 8.240 nan 0.000 0.505 64 T N -0.269 114.331 114.554 0.076 0.000 2.942 64 T HA 0.290 4.640 4.350 -0.000 0.000 0.265 64 T C 0.902 175.623 174.700 0.035 0.000 1.062 64 T CA 0.971 63.112 62.100 0.068 0.000 1.139 64 T CB -0.381 68.562 68.868 0.126 0.000 0.883 64 T HN 0.989 nan 8.240 nan 0.000 0.468 65 S N -1.515 114.190 115.700 0.010 0.000 2.611 65 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 65 S C 1.065 175.654 174.600 -0.018 0.000 1.156 65 S CA -0.440 57.761 58.200 0.003 0.000 0.817 65 S CB 1.025 64.230 63.200 0.008 0.000 1.122 65 S HN 0.193 nan 8.310 nan 0.000 0.466 66 G N 1.071 109.855 108.800 -0.026 0.000 2.408 66 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 66 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 66 G C 1.237 176.093 174.900 -0.075 0.000 1.150 66 G CA 1.089 46.155 45.100 -0.058 0.000 0.776 66 G HN 0.739 nan 8.290 nan 0.000 0.542 67 S N 0.349 116.016 115.700 -0.055 0.000 2.356 67 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 67 S C 2.514 177.059 174.600 -0.093 0.000 1.032 67 S CA 1.719 59.890 58.200 -0.049 0.000 1.005 67 S CB -0.460 62.737 63.200 -0.005 0.000 0.867 67 S HN 0.411 nan 8.310 nan 0.000 0.449 68 T N 2.135 116.611 114.554 -0.131 0.000 2.867 68 T HA 0.063 4.413 4.350 -0.000 0.000 0.268 68 T C 2.101 176.680 174.700 -0.202 0.000 1.057 68 T CA 1.001 62.947 62.100 -0.257 0.000 1.136 68 T CB -0.393 68.249 68.868 -0.378 0.000 0.874 68 T HN 0.437 nan 8.240 nan 0.000 0.466 69 A N 1.323 124.076 122.820 -0.112 0.000 1.877 69 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 69 A C 2.257 179.796 177.584 -0.075 0.000 1.186 69 A CA 1.209 53.209 52.037 -0.062 0.000 0.620 69 A CB -0.836 18.160 19.000 -0.007 0.000 0.822 69 A HN 0.464 nan 8.150 nan 0.000 0.443 70 L N -1.343 119.826 121.223 -0.091 0.000 2.017 70 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 70 L C 2.844 179.660 176.870 -0.090 0.000 1.073 70 L CA 1.888 56.672 54.840 -0.094 0.000 0.745 70 L CB -0.414 41.586 42.059 -0.097 0.000 0.894 70 L HN 0.577 nan 8.230 nan 0.000 0.432 71 M N -0.247 119.292 119.600 -0.103 0.000 2.080 71 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 71 M C 2.253 178.497 176.300 -0.095 0.000 1.068 71 M CA 1.891 57.131 55.300 -0.099 0.000 1.109 71 M CB -0.068 32.455 32.600 -0.127 0.000 1.342 71 M HN 0.183 nan 8.290 nan 0.000 0.405 72 L N -0.016 121.138 121.223 -0.116 0.000 2.131 72 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 72 L C 2.760 179.593 176.870 -0.062 0.000 1.092 72 L CA 0.996 55.789 54.840 -0.078 0.000 0.759 72 L CB -1.143 40.874 42.059 -0.071 0.000 0.903 72 L HN 0.429 nan 8.230 nan 0.000 0.435 73 A N 0.528 123.309 122.820 -0.064 0.000 1.902 73 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 73 A C 2.263 179.791 177.584 -0.093 0.000 1.181 73 A CA 1.470 53.467 52.037 -0.067 0.000 0.623 73 A CB -0.650 18.312 19.000 -0.063 0.000 0.818 73 A HN 0.348 nan 8.150 nan 0.000 0.443 74 L N -0.716 120.458 121.223 -0.083 0.000 2.046 74 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 74 L C 2.637 179.459 176.870 -0.079 0.000 1.077 74 L CA 1.655 56.447 54.840 -0.080 0.000 0.747 74 L CB -0.622 41.402 42.059 -0.058 0.000 0.896 74 L HN 0.462 nan 8.230 nan 0.000 0.432 75 E N 0.220 120.382 120.200 -0.063 0.000 2.077 75 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 75 E C 2.304 178.862 176.600 -0.069 0.000 0.989 75 E CA 1.193 57.564 56.400 -0.049 0.000 0.800 75 E CB -0.223 29.460 29.700 -0.027 0.000 0.746 75 E HN 0.510 nan 8.360 nan 0.000 0.452 76 A N 1.131 123.900 122.820 -0.085 0.000 1.978 76 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 76 A C 2.055 179.538 177.584 -0.168 0.000 1.170 76 A CA 1.013 52.988 52.037 -0.103 0.000 0.636 76 A CB -0.449 18.497 19.000 -0.090 0.000 0.810 76 A HN 0.148 nan 8.150 nan 0.000 0.448 77 L N -1.181 119.899 121.223 -0.238 0.000 2.591 77 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 77 L C 1.589 178.311 176.870 -0.245 0.000 1.133 77 L CA 0.452 55.028 54.840 -0.440 0.000 0.880 77 L CB -0.232 41.424 42.059 -0.672 0.000 1.033 77 L HN 0.570 nan 8.230 nan 0.000 0.450 78 G N 0.851 109.583 108.800 -0.113 0.000 2.143 78 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 78 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 78 G C 0.261 175.165 174.900 0.007 0.000 0.991 78 G CA -0.186 44.895 45.100 -0.031 0.000 0.689 78 G HN 0.303 nan 8.290 nan 0.000 0.522 79 I N 0.760 121.326 120.570 -0.006 0.000 2.575 79 I HA 0.534 4.704 4.170 -0.000 0.000 0.285 79 I C 1.218 177.340 176.117 0.009 0.000 1.085 79 I CA 0.960 62.272 61.300 0.019 0.000 1.403 79 I CB 1.156 39.164 38.000 0.013 0.000 1.409 79 I HN 0.312 nan 8.210 nan 0.000 0.557 80 G N 4.341 113.151 108.800 0.016 0.000 2.664 80 G HA2 0.184 4.144 3.960 -0.000 0.000 0.303 80 G HA3 0.184 4.144 3.960 -0.000 0.000 0.303 80 G C -1.203 173.704 174.900 0.011 0.000 1.243 80 G CA -0.610 44.497 45.100 0.011 0.000 0.826 80 G HN 0.571 nan 8.290 nan 0.000 0.498 81 E N -0.059 120.149 120.200 0.013 0.000 2.502 81 E HA 0.335 4.685 4.350 -0.000 0.000 0.261 81 E C 1.298 177.906 176.600 0.012 0.000 0.974 81 E CA 1.350 57.758 56.400 0.012 0.000 0.936 81 E CB -0.014 29.695 29.700 0.015 0.000 0.926 81 E HN 1.876 nan 8.360 nan 0.000 0.459 82 G N 3.793 112.599 108.800 0.010 0.000 2.199 82 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 82 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 82 G C -0.243 174.663 174.900 0.011 0.000 0.982 82 G CA 0.271 45.376 45.100 0.010 0.000 0.632 82 G HN 0.651 nan 8.290 nan 0.000 0.529 83 D N 0.632 121.039 120.400 0.012 0.000 2.277 83 D HA 0.617 5.256 4.640 -0.000 0.000 0.250 83 D C 0.264 176.569 176.300 0.008 0.000 1.032 83 D CA -0.106 53.903 54.000 0.014 0.000 0.947 83 D CB 1.232 42.046 40.800 0.024 0.000 1.159 83 D HN 0.430 nan 8.370 nan 0.000 0.460 84 E N -0.037 120.166 120.200 0.005 0.000 2.238 84 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 84 E C -1.209 175.381 176.600 -0.016 0.000 0.887 84 E CA -0.866 55.531 56.400 -0.005 0.000 0.769 84 E CB 2.401 32.099 29.700 -0.004 0.000 1.187 84 E HN 0.018 nan 8.360 nan 0.000 0.416 85 V N 4.335 124.226 119.914 -0.039 0.000 2.525 85 V HA 0.351 4.470 4.120 -0.000 0.000 0.299 85 V C -0.245 175.790 176.094 -0.098 0.000 1.034 85 V CA -0.663 61.603 62.300 -0.055 0.000 0.863 85 V CB 1.468 33.257 31.823 -0.058 0.000 0.999 85 V HN 0.640 nan 8.190 nan 0.000 0.423 86 I N 5.903 126.417 120.570 -0.093 0.000 2.416 86 I HA 0.467 4.637 4.170 -0.000 0.000 0.288 86 I C -0.048 175.989 176.117 -0.135 0.000 1.051 86 I CA -0.115 61.115 61.300 -0.117 0.000 1.375 86 I CB 1.341 39.282 38.000 -0.097 0.000 1.407 86 I HN 0.565 nan 8.210 nan 0.000 0.516 87 V N 5.345 125.158 119.914 -0.167 0.000 3.078 87 V HA 0.690 4.810 4.120 -0.000 0.000 0.311 87 V C -2.782 173.275 176.094 -0.061 0.000 1.138 87 V CA -2.239 59.980 62.300 -0.135 0.000 1.007 87 V CB 1.966 33.692 31.823 -0.163 0.000 1.045 87 V HN 0.473 nan 8.190 nan 0.000 0.432 88 P HA 0.219 nan 4.420 nan 0.000 0.274 88 P C 0.710 178.029 177.300 0.031 0.000 1.231 88 P CA 0.281 63.354 63.100 -0.045 0.000 0.790 88 P CB 1.616 33.272 31.700 -0.074 0.000 0.951 89 S N 1.945 117.558 115.700 -0.145 0.000 2.436 89 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 89 S C 0.936 175.417 174.600 -0.198 0.000 1.014 89 S CA 0.318 58.320 58.200 -0.331 0.000 0.950 89 S CB -0.584 62.265 63.200 -0.585 0.000 0.784 89 S HN 0.376 nan 8.310 nan 0.000 0.504 90 L N 2.098 123.245 121.223 -0.127 0.000 2.259 90 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 90 L C -0.215 176.606 176.870 -0.081 0.000 1.051 90 L CA 0.665 55.441 54.840 -0.107 0.000 0.824 90 L CB 0.707 42.694 42.059 -0.121 0.000 1.206 90 L HN 0.372 nan 8.230 nan 0.000 0.429 91 T N 2.223 116.743 114.554 -0.057 0.000 2.652 91 T HA 0.230 4.580 4.350 -0.000 0.000 0.303 91 T C -1.705 173.061 174.700 0.110 0.000 1.738 91 T CA -0.615 61.487 62.100 0.003 0.000 0.969 91 T CB -0.086 68.769 68.868 -0.022 0.000 1.778 91 T HN 0.287 nan 8.240 nan 0.000 0.494 92 W N 2.625 123.845 121.300 -0.134 0.000 2.170 92 W HA 0.329 4.990 4.660 0.000 0.000 0.336 92 W C 2.099 178.574 176.519 -0.073 0.000 1.283 92 W CA -0.488 56.803 57.345 -0.090 0.000 1.224 92 W CB -0.048 29.363 29.460 -0.082 0.000 1.132 92 W HN 0.687 nan 8.180 nan 0.000 0.571 93 I N 0.540 121.189 120.570 0.132 0.000 2.423 93 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 93 I C 1.872 178.065 176.117 0.127 0.000 1.151 93 I CA 1.798 63.150 61.300 0.087 0.000 1.421 93 I CB -0.817 37.254 38.000 0.119 0.000 1.079 93 I HN 0.403 nan 8.210 nan 0.000 0.431 94 A N 1.737 124.656 122.820 0.165 0.000 1.948 94 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 94 A C 2.324 179.934 177.584 0.044 0.000 1.177 94 A CA 2.625 54.728 52.037 0.110 0.000 0.636 94 A CB -1.447 17.620 19.000 0.113 0.000 0.815 94 A HN 0.571 nan 8.150 nan 0.000 0.449 95 T N -0.048 114.522 114.554 0.027 0.000 2.803 95 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 95 T C 2.009 176.684 174.700 -0.042 0.000 1.052 95 T CA 1.707 63.788 62.100 -0.032 0.000 1.136 95 T CB -0.270 68.573 68.868 -0.042 0.000 0.864 95 T HN 0.639 nan 8.240 nan 0.000 0.467 96 A N 1.424 124.236 122.820 -0.014 0.000 1.956 96 A HA 0.062 4.382 4.320 -0.000 0.000 0.212 96 A C 2.557 180.146 177.584 0.008 0.000 1.188 96 A CA 1.342 53.343 52.037 -0.059 0.000 0.675 96 A CB -0.811 18.130 19.000 -0.099 0.000 0.845 96 A HN 0.558 nan 8.150 nan 0.000 0.455 97 T N -1.994 112.619 114.554 0.097 0.000 2.962 97 T HA 0.115 4.464 4.350 -0.000 0.000 0.270 97 T C 1.812 176.537 174.700 0.041 0.000 1.088 97 T CA 1.349 63.511 62.100 0.103 0.000 1.127 97 T CB -0.353 68.620 68.868 0.175 0.000 0.883 97 T HN 0.454 nan 8.240 nan 0.000 0.493 98 A N 1.171 123.998 122.820 0.011 0.000 1.930 98 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 98 A C 2.556 180.118 177.584 -0.038 0.000 1.175 98 A CA 1.328 53.355 52.037 -0.016 0.000 0.627 98 A CB -0.925 18.050 19.000 -0.042 0.000 0.815 98 A HN 0.423 nan 8.150 nan 0.000 0.443 99 V N 0.092 119.969 119.914 -0.061 0.000 2.307 99 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 99 V C 2.511 178.543 176.094 -0.104 0.000 1.045 99 V CA 1.879 64.133 62.300 -0.077 0.000 1.024 99 V CB -0.822 30.945 31.823 -0.093 0.000 0.651 99 V HN 0.569 nan 8.190 nan 0.000 0.449 100 L N 0.414 121.528 121.223 -0.181 0.000 2.191 100 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 100 L C 2.306 179.020 176.870 -0.260 0.000 1.103 100 L CA 1.222 55.818 54.840 -0.408 0.000 0.769 100 L CB -0.731 40.794 42.059 -0.891 0.000 0.908 100 L HN 0.377 nan 8.230 nan 0.000 0.438 101 N N -0.173 118.513 118.700 -0.023 0.000 2.381 101 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 101 N C 1.425 176.977 175.510 0.070 0.000 1.025 101 N CA 1.362 54.494 53.050 0.136 0.000 0.888 101 N CB -0.028 38.521 38.487 0.104 0.000 0.965 101 N HN 0.359 nan 8.380 nan 0.000 0.438 102 V N -3.006 116.914 119.914 0.010 0.000 3.342 102 V HA 0.336 4.456 4.120 -0.000 0.000 0.322 102 V C -0.028 176.068 176.094 0.005 0.000 1.370 102 V CA -0.245 62.060 62.300 0.009 0.000 1.170 102 V CB -1.113 30.705 31.823 -0.008 0.000 1.101 102 V HN 0.193 nan 8.190 nan 0.000 0.442 103 N N -0.489 118.209 118.700 -0.005 0.000 2.850 103 N HA -0.146 4.593 4.740 -0.000 0.000 0.249 103 N C 0.357 175.854 175.510 -0.022 0.000 1.060 103 N CA 0.504 53.549 53.050 -0.008 0.000 0.825 103 N CB -1.168 37.331 38.487 0.020 0.000 1.132 103 N HN 0.936 nan 8.380 nan 0.000 0.564 104 A N 0.179 122.976 122.820 -0.038 0.000 2.269 104 A HA 0.783 5.103 4.320 -0.000 0.000 0.327 104 A C -0.315 177.252 177.584 -0.029 0.000 1.112 104 A CA -0.456 51.566 52.037 -0.025 0.000 0.865 104 A CB 1.002 19.989 19.000 -0.021 0.000 1.227 104 A HN 0.185 nan 8.150 nan 0.000 0.498 105 L N 2.095 123.319 121.223 0.001 0.000 2.280 105 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 105 L C -2.295 174.594 176.870 0.031 0.000 1.023 105 L CA -1.840 53.031 54.840 0.052 0.000 0.819 105 L CB 1.605 43.707 42.059 0.071 0.000 1.212 105 L HN 0.424 nan 8.230 nan 0.000 0.420 106 P HA 0.123 nan 4.420 nan 0.000 0.280 106 P C -1.178 176.023 177.300 -0.164 0.000 1.244 106 P CA -0.173 62.834 63.100 -0.154 0.000 0.784 106 P CB 1.517 33.037 31.700 -0.300 0.000 0.913 107 V N 5.100 124.875 119.914 -0.232 0.000 2.350 107 V HA 0.255 4.375 4.120 -0.000 0.000 0.285 107 V C 0.155 176.109 176.094 -0.234 0.000 1.014 107 V CA -0.493 61.719 62.300 -0.145 0.000 0.831 107 V CB 0.240 32.034 31.823 -0.049 0.000 1.000 107 V HN 0.341 nan 8.190 nan 0.000 0.433 108 F N 3.882 123.825 119.950 -0.011 0.000 2.418 108 F HA 0.528 5.055 4.527 -0.000 0.000 0.341 108 F C 0.414 175.965 175.800 -0.414 0.000 1.120 108 F CA -0.158 57.664 58.000 -0.295 0.000 1.232 108 F CB 1.126 39.813 39.000 -0.521 0.000 1.175 108 F HN 0.156 nan 8.300 nan 0.000 0.569 109 V N 2.361 122.111 119.914 -0.274 0.000 2.760 109 V HA 0.215 4.335 4.120 -0.000 0.000 0.309 109 V C -0.393 175.516 176.094 -0.308 0.000 1.077 109 V CA -1.065 61.103 62.300 -0.219 0.000 0.910 109 V CB 2.019 33.783 31.823 -0.099 0.000 1.008 109 V HN 0.613 nan 8.190 nan 0.000 0.424 110 D N 1.558 121.859 120.400 -0.164 0.000 2.363 110 D HA 0.338 4.978 4.640 -0.000 0.000 0.240 110 D C -0.019 176.252 176.300 -0.047 0.000 1.236 110 D CA 0.199 54.152 54.000 -0.078 0.000 0.927 110 D CB 1.746 42.591 40.800 0.075 0.000 1.150 110 D HN 0.487 nan 8.370 nan 0.000 0.458 111 V N -1.432 118.477 119.914 -0.009 0.000 3.093 111 V HA 0.537 4.657 4.120 -0.000 0.000 0.320 111 V C -0.003 176.137 176.094 0.077 0.000 1.093 111 V CA -0.790 61.530 62.300 0.034 0.000 1.016 111 V CB 1.215 33.079 31.823 0.069 0.000 1.096 111 V HN 0.464 nan 8.190 nan 0.000 0.452 112 E N 0.996 121.250 120.200 0.090 0.000 2.338 112 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 112 E C 1.151 177.822 176.600 0.118 0.000 1.029 112 E CA 0.158 56.606 56.400 0.080 0.000 0.872 112 E CB 1.576 31.309 29.700 0.054 0.000 1.015 112 E HN 0.886 nan 8.360 nan 0.000 0.417 113 A N 3.566 126.433 122.820 0.078 0.000 1.978 113 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 113 A C 1.292 178.830 177.584 -0.076 0.000 1.170 113 A CA 2.043 54.121 52.037 0.069 0.000 0.636 113 A CB -0.360 18.662 19.000 0.037 0.000 0.810 113 A HN 0.713 nan 8.150 nan 0.000 0.448 114 D N -2.461 117.886 120.400 -0.089 0.000 2.402 114 D HA 0.058 4.698 4.640 -0.000 0.000 0.216 114 D C 0.979 177.172 176.300 -0.178 0.000 1.128 114 D CA 1.011 54.913 54.000 -0.164 0.000 0.833 114 D CB -0.214 40.539 40.800 -0.078 0.000 0.971 114 D HN 0.418 nan 8.370 nan 0.000 0.503 115 T N -5.282 109.190 114.554 -0.137 0.000 3.029 115 T HA 0.031 4.381 4.350 -0.000 0.000 0.256 115 T C 0.319 175.063 174.700 0.074 0.000 0.914 115 T CA -0.169 61.905 62.100 -0.043 0.000 0.880 115 T CB -0.185 68.710 68.868 0.045 0.000 1.246 115 T HN -0.100 nan 8.240 nan 0.000 0.523 116 Y N 0.206 120.539 120.300 0.054 0.000 4.604 116 Y HA -0.212 4.338 4.550 -0.000 0.000 0.230 116 Y C 0.586 176.507 175.900 0.035 0.000 1.066 116 Y CA -0.680 57.458 58.100 0.062 0.000 1.990 116 Y CB -2.679 35.863 38.460 0.137 0.000 1.619 116 Y HN 0.497 nan 8.280 nan 0.000 0.649 117 C N 0.202 119.598 119.300 0.160 0.000 2.399 117 C HA 0.620 5.080 4.460 -0.000 0.000 0.348 117 C C 1.410 176.412 174.990 0.021 0.000 1.183 117 C CA -1.526 57.529 59.018 0.061 0.000 2.023 117 C CB 1.394 29.163 27.740 0.049 0.000 2.361 117 C HN 0.405 nan 8.230 nan 0.000 0.521 118 I N 2.826 123.375 120.570 -0.035 0.000 2.996 118 I HA -0.111 4.059 4.170 -0.000 0.000 0.310 118 I C 0.325 176.422 176.117 -0.034 0.000 1.225 118 I CA 0.865 62.134 61.300 -0.051 0.000 1.442 118 I CB 0.168 38.114 38.000 -0.089 0.000 1.334 118 I HN 0.627 nan 8.210 nan 0.000 0.550 119 D N 10.164 130.550 120.400 -0.022 0.000 2.346 119 D HA 0.128 4.768 4.640 -0.000 0.000 0.260 119 D C -1.677 174.609 176.300 -0.024 0.000 1.252 119 D CA -1.924 52.070 54.000 -0.010 0.000 0.895 119 D CB 1.478 42.279 40.800 0.002 0.000 1.097 119 D HN 0.329 nan 8.370 nan 0.000 0.489 120 P HA -0.142 nan 4.420 nan 0.000 0.215 120 P C 1.022 178.307 177.300 -0.024 0.000 1.153 120 P CA 0.955 64.037 63.100 -0.031 0.000 0.853 120 P CB 0.306 31.995 31.700 -0.018 0.000 0.788 121 Q N -1.176 118.619 119.800 -0.009 0.000 2.541 121 Q HA 0.046 4.386 4.340 -0.000 0.000 0.215 121 Q C 1.632 177.626 176.000 -0.010 0.000 0.977 121 Q CA 0.816 56.616 55.803 -0.005 0.000 0.934 121 Q CB -0.425 28.316 28.738 0.005 0.000 0.988 121 Q HN 0.403 nan 8.270 nan 0.000 0.521 122 L N -1.406 119.807 121.223 -0.017 0.000 2.701 122 L HA 0.186 4.526 4.340 -0.000 0.000 0.238 122 L C 1.754 178.605 176.870 -0.032 0.000 1.106 122 L CA -0.031 54.800 54.840 -0.014 0.000 0.898 122 L CB 0.146 42.204 42.059 -0.001 0.000 1.188 122 L HN 0.092 nan 8.230 nan 0.000 0.508 123 I N 0.444 120.982 120.570 -0.054 0.000 2.202 123 I HA -0.265 3.904 4.170 -0.000 0.000 0.242 123 I C 2.317 178.366 176.117 -0.114 0.000 1.091 123 I CA 1.379 62.629 61.300 -0.083 0.000 1.368 123 I CB -0.140 37.801 38.000 -0.099 0.000 1.058 123 I HN 0.213 nan 8.210 nan 0.000 0.410 124 K N 0.669 120.996 120.400 -0.121 0.000 2.044 124 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 124 K C 2.160 178.701 176.600 -0.099 0.000 1.049 124 K CA 1.899 58.092 56.287 -0.156 0.000 0.927 124 K CB -0.311 32.139 32.500 -0.083 0.000 0.713 124 K HN 0.157 nan 8.250 nan 0.000 0.443 125 S N 0.438 116.107 115.700 -0.052 0.000 2.442 125 S HA -0.082 4.388 4.470 -0.000 0.000 0.236 125 S C 1.808 176.392 174.600 -0.026 0.000 1.007 125 S CA 1.037 59.221 58.200 -0.026 0.000 0.965 125 S CB -0.042 63.152 63.200 -0.010 0.000 0.773 125 S HN 0.432 nan 8.310 nan 0.000 0.504 126 A N 0.461 123.257 122.820 -0.040 0.000 2.238 126 A HA 0.353 4.673 4.320 -0.000 0.000 0.210 126 A C 0.710 178.266 177.584 -0.047 0.000 1.179 126 A CA -0.155 51.864 52.037 -0.029 0.000 0.827 126 A CB -0.175 18.810 19.000 -0.025 0.000 0.856 126 A HN 0.410 nan 8.150 nan 0.000 0.488 127 I N 1.803 122.325 120.570 -0.080 0.000 2.588 127 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 127 I C 0.938 177.035 176.117 -0.032 0.000 1.119 127 I CA 0.220 61.469 61.300 -0.084 0.000 1.419 127 I CB 1.240 39.132 38.000 -0.179 0.000 1.394 127 I HN 0.383 nan 8.210 nan 0.000 0.562 128 T N -0.004 114.541 114.554 -0.016 0.000 2.742 128 T HA 0.273 4.623 4.350 -0.000 0.000 0.282 128 T C 0.433 175.138 174.700 0.008 0.000 1.025 128 T CA -0.777 61.324 62.100 0.001 0.000 1.020 128 T CB 1.512 70.380 68.868 0.001 0.000 1.317 128 T HN 0.449 nan 8.240 nan 0.000 0.538 129 D N -0.031 120.375 120.400 0.009 0.000 2.310 129 D HA 0.019 4.659 4.640 -0.000 0.000 0.212 129 D C 1.471 177.774 176.300 0.005 0.000 0.965 129 D CA 0.841 54.846 54.000 0.009 0.000 0.879 129 D CB 0.135 40.939 40.800 0.007 0.000 0.921 129 D HN 0.539 nan 8.370 nan 0.000 0.510 130 K N 0.082 120.484 120.400 0.004 0.000 2.361 130 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 130 K C 0.506 177.108 176.600 0.003 0.000 1.039 130 K CA 0.177 56.467 56.287 0.005 0.000 1.001 130 K CB 0.350 32.853 32.500 0.006 0.000 0.795 130 K HN -0.052 nan 8.250 nan 0.000 0.495 131 T N 2.199 116.750 114.554 -0.004 0.000 2.867 131 T HA 0.039 4.388 4.350 -0.000 0.000 0.297 131 T C 0.872 175.566 174.700 -0.010 0.000 0.989 131 T CA 0.358 62.451 62.100 -0.013 0.000 1.159 131 T CB 0.734 69.584 68.868 -0.031 0.000 0.928 131 T HN 0.002 nan 8.240 nan 0.000 0.538 132 K N 0.714 121.118 120.400 0.007 0.000 2.474 132 K HA 0.508 4.828 4.320 -0.000 0.000 0.204 132 K C 0.444 177.082 176.600 0.064 0.000 1.220 132 K CA 0.073 56.378 56.287 0.030 0.000 0.966 132 K CB 1.129 33.686 32.500 0.095 0.000 1.049 132 K HN 0.686 nan 8.250 nan 0.000 0.554 133 A N 0.658 123.508 122.820 0.050 0.000 2.586 133 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 133 A C -1.557 176.026 177.584 -0.003 0.000 1.086 133 A CA -0.689 51.389 52.037 0.068 0.000 0.665 133 A CB 0.983 20.074 19.000 0.152 0.000 1.279 133 A HN 0.026 nan 8.150 nan 0.000 0.423 134 I N 0.360 120.921 120.570 -0.015 0.000 2.545 134 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 134 I C -0.963 175.106 176.117 -0.079 0.000 1.040 134 I CA -0.386 60.877 61.300 -0.062 0.000 1.068 134 I CB 2.118 40.072 38.000 -0.077 0.000 1.251 134 I HN 0.484 nan 8.210 nan 0.000 0.424 135 I N 7.136 127.640 120.570 -0.110 0.000 2.557 135 I HA 0.265 4.435 4.170 -0.000 0.000 0.277 135 I C -2.302 173.705 176.117 -0.183 0.000 1.106 135 I CA -1.704 59.511 61.300 -0.141 0.000 1.180 135 I CB 0.874 38.793 38.000 -0.134 0.000 1.392 135 I HN 0.201 nan 8.210 nan 0.000 0.506 136 P HA 0.142 nan 4.420 nan 0.000 0.271 136 P C -0.536 176.524 177.300 -0.400 0.000 1.218 136 P CA -0.056 62.874 63.100 -0.284 0.000 0.780 136 P CB 1.994 33.511 31.700 -0.305 0.000 0.901 137 V N 3.850 123.546 119.914 -0.364 0.000 2.487 137 V HA 0.175 4.295 4.120 -0.000 0.000 0.298 137 V C 0.344 176.228 176.094 -0.350 0.000 1.028 137 V CA -0.615 61.459 62.300 -0.377 0.000 0.860 137 V CB 1.018 32.701 31.823 -0.233 0.000 0.991 137 V HN 0.548 nan 8.190 nan 0.000 0.427 138 H N 4.792 123.770 119.070 -0.153 0.000 2.982 138 H HA 0.268 4.824 4.556 -0.000 0.000 0.261 138 H C -0.105 175.169 175.328 -0.091 0.000 1.603 138 H CA -0.443 55.541 56.048 -0.106 0.000 1.398 138 H CB 0.669 30.367 29.762 -0.107 0.000 1.693 138 H HN 0.378 nan 8.280 nan 0.000 0.535 139 L N 2.446 123.672 121.223 0.004 0.000 2.410 139 L HA 0.022 4.362 4.340 -0.000 0.000 0.273 139 L C 0.342 177.282 176.870 0.116 0.000 1.152 139 L CA 0.447 55.245 54.840 -0.070 0.000 0.855 139 L CB -0.234 41.762 42.059 -0.105 0.000 1.129 139 L HN 0.451 nan 8.230 nan 0.000 0.463 140 F N 2.532 122.630 119.950 0.247 0.000 2.536 140 F HA -0.330 4.197 4.527 -0.000 0.000 0.718 140 F C 1.560 177.478 175.800 0.197 0.000 0.502 140 F CA 1.892 60.069 58.000 0.295 0.000 0.763 140 F CB -1.876 37.254 39.000 0.218 0.000 1.584 140 F HN 0.578 nan 8.300 nan 0.000 0.270 141 G N -0.577 108.416 108.800 0.321 0.000 4.552 141 G HA2 0.561 4.521 3.960 -0.000 0.000 0.281 141 G HA3 0.561 4.521 3.960 -0.000 0.000 0.281 141 G C -0.685 174.122 174.900 -0.156 0.000 1.037 141 G CA 0.681 45.745 45.100 -0.060 0.000 0.806 141 G HN 0.478 nan 8.290 nan 0.000 0.495 142 S N -0.279 115.433 115.700 0.020 0.000 2.697 142 S HA 0.753 5.223 4.470 -0.000 0.000 0.289 142 S C -0.668 173.985 174.600 0.089 0.000 1.149 142 S CA -0.623 57.603 58.200 0.043 0.000 0.850 142 S CB 1.936 65.193 63.200 0.094 0.000 1.151 142 S HN 0.170 nan 8.310 nan 0.000 0.491 143 M N 1.471 121.150 119.600 0.132 0.000 2.464 143 M HA 0.581 5.061 4.480 -0.000 0.000 0.308 143 M C -0.307 176.111 176.300 0.196 0.000 1.127 143 M CA -0.777 54.639 55.300 0.193 0.000 0.913 143 M CB 1.961 34.604 32.600 0.072 0.000 1.689 143 M HN 0.792 nan 8.290 nan 0.000 0.445 144 A N 2.025 124.989 122.820 0.240 0.000 2.425 144 A HA 0.179 4.499 4.320 -0.000 0.000 0.242 144 A C 0.153 177.574 177.584 -0.270 0.000 1.077 144 A CA -0.319 51.697 52.037 -0.036 0.000 0.781 144 A CB 0.088 18.993 19.000 -0.159 0.000 1.020 144 A HN 0.846 nan 8.150 nan 0.000 0.494 145 N N 2.651 121.207 118.700 -0.239 0.000 2.434 145 N HA 0.009 4.749 4.740 -0.000 0.000 0.273 145 N C 0.785 175.967 175.510 -0.546 0.000 1.210 145 N CA -0.141 52.683 53.050 -0.376 0.000 0.992 145 N CB 0.145 38.633 38.487 0.000 0.000 1.355 145 N HN 0.511 nan 8.380 nan 0.000 0.495 146 M N 1.158 120.065 119.600 -1.154 0.000 2.374 146 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 146 M C 0.841 176.956 176.300 -0.309 0.000 1.067 146 M CA 0.765 55.627 55.300 -0.729 0.000 1.103 146 M CB -0.535 31.492 32.600 -0.955 0.000 1.402 146 M HN 0.342 nan 8.290 nan 0.000 0.444 147 D N 0.647 121.010 120.400 -0.062 0.000 2.084 147 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 147 D C 2.040 178.374 176.300 0.056 0.000 0.985 147 D CA 1.125 55.222 54.000 0.161 0.000 0.826 147 D CB -0.047 40.953 40.800 0.334 0.000 0.978 147 D HN 0.308 nan 8.370 nan 0.000 0.456 148 E N 0.478 120.701 120.200 0.037 0.000 2.051 148 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 148 E C 2.555 179.141 176.600 -0.022 0.000 0.991 148 E CA 0.398 56.807 56.400 0.015 0.000 0.799 148 E CB -0.270 29.440 29.700 0.016 0.000 0.748 148 E HN 0.388 nan 8.360 nan 0.000 0.449 149 I N 1.844 122.371 120.570 -0.072 0.000 2.226 149 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 149 I C 2.027 178.110 176.117 -0.056 0.000 1.100 149 I CA 0.890 62.141 61.300 -0.083 0.000 1.374 149 I CB -0.365 37.555 38.000 -0.134 0.000 1.057 149 I HN 0.033 nan 8.210 nan 0.000 0.413 150 N N 0.582 119.250 118.700 -0.054 0.000 2.244 150 N HA -0.212 4.528 4.740 -0.000 0.000 0.183 150 N C 1.762 177.273 175.510 0.003 0.000 1.016 150 N CA 1.151 54.187 53.050 -0.023 0.000 0.866 150 N CB -0.217 38.262 38.487 -0.014 0.000 0.980 150 N HN 0.473 nan 8.380 nan 0.000 0.430 151 E N 0.776 120.984 120.200 0.013 0.000 2.072 151 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 151 E C 1.970 178.599 176.600 0.048 0.000 0.985 151 E CA 0.668 57.085 56.400 0.029 0.000 0.801 151 E CB 0.010 29.731 29.700 0.034 0.000 0.750 151 E HN 0.267 nan 8.360 nan 0.000 0.452 152 I N 0.913 121.511 120.570 0.046 0.000 2.226 152 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 152 I C 2.589 178.779 176.117 0.122 0.000 1.100 152 I CA 0.970 62.326 61.300 0.093 0.000 1.374 152 I CB -0.354 37.639 38.000 -0.012 0.000 1.057 152 I HN 0.189 nan 8.210 nan 0.000 0.413 153 A N 0.496 123.336 122.820 0.033 0.000 1.877 153 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 153 A C 2.487 180.079 177.584 0.013 0.000 1.186 153 A CA 2.467 54.511 52.037 0.012 0.000 0.620 153 A CB -1.206 17.786 19.000 -0.013 0.000 0.822 153 A HN 0.463 nan 8.150 nan 0.000 0.443 154 Q N -0.244 119.563 119.800 0.012 0.000 2.050 154 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 154 Q C 1.956 177.943 176.000 -0.022 0.000 0.980 154 Q CA 2.284 58.082 55.803 -0.008 0.000 0.840 154 Q CB -0.874 27.864 28.738 -0.001 0.000 0.898 154 Q HN 0.922 nan 8.270 nan 0.000 0.424 155 E N -0.874 119.324 120.200 -0.004 0.000 2.150 155 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 155 E C 1.249 177.705 176.600 -0.241 0.000 0.985 155 E CA 1.406 57.744 56.400 -0.103 0.000 0.814 155 E CB -0.086 29.553 29.700 -0.101 0.000 0.752 155 E HN 0.848 nan 8.360 nan 0.000 0.466 156 H N -0.074 118.962 119.070 -0.057 0.000 2.520 156 H HA 0.272 4.828 4.556 -0.000 0.000 0.284 156 H C -0.322 174.947 175.328 -0.098 0.000 1.037 156 H CA 0.415 56.423 56.048 -0.066 0.000 1.168 156 H CB -0.095 29.632 29.762 -0.058 0.000 1.497 156 H HN 0.209 nan 8.280 nan 0.000 0.547 157 N N 1.131 119.803 118.700 -0.047 0.000 2.714 157 N HA -0.177 4.563 4.740 -0.000 0.000 0.253 157 N C -1.172 174.204 175.510 -0.223 0.000 1.024 157 N CA -0.166 52.802 53.050 -0.136 0.000 0.726 157 N CB -0.777 37.631 38.487 -0.133 0.000 0.908 157 N HN 0.294 nan 8.380 nan 0.000 0.542 158 L N 1.280 122.393 121.223 -0.183 0.000 2.342 158 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 158 L C 0.233 176.973 176.870 -0.217 0.000 1.008 158 L CA -0.958 53.753 54.840 -0.214 0.000 0.818 158 L CB 0.952 42.965 42.059 -0.078 0.000 1.296 158 L HN -0.087 nan 8.230 nan 0.000 0.427 159 F N 1.097 121.040 119.950 -0.012 0.000 2.403 159 F HA 0.418 4.945 4.527 -0.000 0.000 0.320 159 F C 0.382 176.161 175.800 -0.036 0.000 1.176 159 F CA -0.459 57.530 58.000 -0.018 0.000 1.206 159 F CB 1.065 40.054 39.000 -0.018 0.000 1.235 159 F HN -0.037 nan 8.300 nan 0.000 0.565 160 V N 3.395 123.417 119.914 0.181 0.000 2.525 160 V HA 0.407 4.527 4.120 -0.000 0.000 0.299 160 V C -0.414 175.688 176.094 0.012 0.000 1.034 160 V CA -0.714 61.615 62.300 0.048 0.000 0.863 160 V CB 1.793 33.619 31.823 0.005 0.000 0.999 160 V HN 0.477 nan 8.190 nan 0.000 0.423 161 I N 3.905 124.451 120.570 -0.039 0.000 2.382 161 I HA 0.410 4.580 4.170 -0.000 0.000 0.286 161 I C 0.096 176.128 176.117 -0.142 0.000 1.002 161 I CA -0.438 60.816 61.300 -0.077 0.000 1.135 161 I CB 1.803 39.754 38.000 -0.081 0.000 1.288 161 I HN 0.602 nan 8.210 nan 0.000 0.448 162 E N 4.828 124.932 120.200 -0.161 0.000 2.194 162 E HA 0.066 4.416 4.350 -0.000 0.000 0.284 162 E C -0.706 175.696 176.600 -0.329 0.000 1.035 162 E CA -0.383 55.864 56.400 -0.254 0.000 0.836 162 E CB 1.086 30.688 29.700 -0.163 0.000 1.070 162 E HN 0.348 nan 8.360 nan 0.000 0.401 163 D N 3.413 123.589 120.400 -0.372 0.000 2.393 163 D HA 0.066 4.706 4.640 -0.000 0.000 0.232 163 D C -0.353 175.696 176.300 -0.418 0.000 1.192 163 D CA -0.496 53.284 54.000 -0.366 0.000 0.882 163 D CB 0.269 40.888 40.800 -0.301 0.000 1.038 163 D HN 0.384 nan 8.370 nan 0.000 0.499 164 C N 3.462 122.424 119.300 -0.563 0.000 2.688 164 C HA 0.358 4.818 4.460 -0.000 0.000 0.297 164 C C 2.216 176.910 174.990 -0.492 0.000 1.308 164 C CA -0.077 58.602 59.018 -0.564 0.000 1.726 164 C CB -1.290 25.787 27.740 -1.105 0.000 1.982 164 C HN 0.733 nan 8.230 nan 0.000 0.604 165 A N 0.780 123.353 122.820 -0.412 0.000 2.084 165 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 165 A C 1.888 179.332 177.584 -0.232 0.000 1.161 165 A CA 1.518 53.376 52.037 -0.299 0.000 0.653 165 A CB -0.272 18.475 19.000 -0.421 0.000 0.802 165 A HN 0.777 nan 8.150 nan 0.000 0.457 166 Q N -1.667 117.974 119.800 -0.266 0.000 2.175 166 Q HA 0.314 4.654 4.340 -0.000 0.000 0.225 166 Q C 0.004 176.061 176.000 0.096 0.000 0.837 166 Q CA 0.023 55.710 55.803 -0.194 0.000 1.032 166 Q CB 0.633 29.208 28.738 -0.271 0.000 1.137 166 Q HN 0.336 nan 8.270 nan 0.000 0.483 167 S N -0.170 115.607 115.700 0.128 0.000 2.949 167 S HA 0.120 4.590 4.470 -0.000 0.000 0.246 167 S C -1.017 173.750 174.600 0.279 0.000 0.899 167 S CA -0.443 57.856 58.200 0.165 0.000 1.091 167 S CB 0.025 63.270 63.200 0.075 0.000 1.199 167 S HN 0.427 nan 8.310 nan 0.000 0.507 168 H N 0.695 119.960 119.070 0.325 0.000 3.187 168 H HA 0.360 4.916 4.556 -0.000 0.000 0.286 168 H C 1.543 177.128 175.328 0.428 0.000 0.944 168 H CA 1.764 58.113 56.048 0.500 0.000 1.429 168 H CB 0.050 30.057 29.762 0.407 0.000 1.483 168 H HN 0.489 nan 8.280 nan 0.000 0.555 169 G N 2.283 111.412 108.800 0.549 0.000 2.194 169 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 169 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 169 G C 0.532 175.498 174.900 0.110 0.000 0.987 169 G CA 0.077 45.381 45.100 0.340 0.000 0.635 169 G HN 0.661 nan 8.290 nan 0.000 0.520 170 S N -0.589 115.173 115.700 0.104 0.000 2.573 170 S HA 0.490 4.960 4.470 -0.000 0.000 0.277 170 S C 0.316 174.904 174.600 -0.020 0.000 1.346 170 S CA 0.338 58.546 58.200 0.013 0.000 1.034 170 S CB 1.907 65.077 63.200 -0.050 0.000 0.879 170 S HN 0.900 nan 8.310 nan 0.000 0.528 171 V N 3.359 123.265 119.914 -0.013 0.000 2.525 171 V HA 0.366 4.486 4.120 -0.000 0.000 0.299 171 V C -0.928 175.202 176.094 0.060 0.000 1.034 171 V CA -0.727 61.573 62.300 -0.001 0.000 0.863 171 V CB 1.638 33.435 31.823 -0.042 0.000 0.999 171 V HN 0.916 nan 8.190 nan 0.000 0.423 172 W N 6.128 127.366 121.300 -0.102 0.000 2.411 172 W HA 0.386 5.046 4.660 -0.000 0.000 0.317 172 W C 0.166 176.651 176.519 -0.056 0.000 1.030 172 W CA -0.652 56.645 57.345 -0.079 0.000 1.239 172 W CB 1.326 30.732 29.460 -0.089 0.000 1.304 172 W HN 0.849 nan 8.180 nan 0.000 0.437 173 N N 5.511 124.063 118.700 -0.246 0.000 2.714 173 N HA -0.285 4.455 4.740 -0.000 0.000 0.253 173 N C 0.173 175.669 175.510 -0.023 0.000 1.024 173 N CA 1.687 54.654 53.050 -0.138 0.000 0.726 173 N CB -1.446 37.011 38.487 -0.050 0.000 0.908 173 N HN 0.634 nan 8.380 nan 0.000 0.542 174 N N -1.410 117.264 118.700 -0.043 0.000 2.741 174 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 174 N C -0.824 174.673 175.510 -0.022 0.000 1.115 174 N CA 1.124 54.152 53.050 -0.037 0.000 0.724 174 N CB -0.723 37.739 38.487 -0.042 0.000 1.090 174 N HN 0.695 nan 8.380 nan 0.000 0.558 175 Q N 0.101 119.910 119.800 0.015 0.000 2.304 175 Q HA 0.346 4.686 4.340 -0.000 0.000 0.270 175 Q C -0.261 175.741 176.000 0.003 0.000 1.035 175 Q CA -0.776 55.033 55.803 0.011 0.000 0.781 175 Q CB 2.042 30.814 28.738 0.056 0.000 1.261 175 Q HN -0.006 nan 8.270 nan 0.000 0.444 176 R N 0.798 121.266 120.500 -0.052 0.000 2.590 176 R HA 0.264 4.604 4.340 -0.000 0.000 0.274 176 R C -0.061 176.249 176.300 0.016 0.000 1.061 176 R CA -0.080 55.985 56.100 -0.059 0.000 1.081 176 R CB 0.365 30.569 30.300 -0.159 0.000 0.984 176 R HN 0.681 nan 8.270 nan 0.000 0.448 177 A N 1.254 124.084 122.820 0.016 0.000 2.567 177 A HA 0.344 4.664 4.320 -0.000 0.000 0.240 177 A C 1.367 179.031 177.584 0.133 0.000 1.053 177 A CA 1.008 53.043 52.037 -0.003 0.000 0.755 177 A CB -0.257 18.670 19.000 -0.120 0.000 0.978 177 A HN 0.913 nan 8.150 nan 0.000 0.507 178 G N 1.482 110.330 108.800 0.079 0.000 2.284 178 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 178 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 178 G C 0.924 175.904 174.900 0.133 0.000 1.009 178 G CA 0.725 45.877 45.100 0.088 0.000 0.625 178 G HN 1.115 nan 8.290 nan 0.000 0.501 179 T N 1.070 115.691 114.554 0.111 0.000 3.065 179 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 179 T C 2.345 177.073 174.700 0.046 0.000 1.099 179 T CA 0.944 63.087 62.100 0.071 0.000 1.063 179 T CB 0.124 69.011 68.868 0.031 0.000 0.948 179 T HN 0.436 nan 8.240 nan 0.000 0.506 180 I N 0.871 121.464 120.570 0.038 0.000 2.333 180 I HA 0.126 4.296 4.170 -0.000 0.000 0.246 180 I C 1.918 178.043 176.117 0.014 0.000 1.106 180 I CA 0.326 61.638 61.300 0.020 0.000 1.411 180 I CB -0.506 37.488 38.000 -0.011 0.000 1.082 180 I HN 0.199 nan 8.210 nan 0.000 0.420 181 G N 0.038 108.844 108.800 0.010 0.000 2.535 181 G HA2 0.030 3.990 3.960 -0.000 0.000 0.282 181 G HA3 0.030 3.990 3.960 -0.000 0.000 0.282 181 G C 0.330 175.254 174.900 0.041 0.000 1.350 181 G CA -0.216 44.891 45.100 0.011 0.000 1.039 181 G HN 0.105 nan 8.290 nan 0.000 0.509 182 D N -0.924 119.511 120.400 0.058 0.000 2.144 182 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 182 D C 0.734 177.061 176.300 0.045 0.000 0.978 182 D CA 1.303 55.345 54.000 0.070 0.000 0.833 182 D CB 0.382 41.241 40.800 0.099 0.000 0.961 182 D HN 0.140 nan 8.370 nan 0.000 0.470 183 I N -0.310 120.273 120.570 0.023 0.000 2.656 183 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 183 I C -0.064 176.061 176.117 0.014 0.000 1.144 183 I CA -0.913 60.406 61.300 0.031 0.000 1.038 183 I CB 2.659 40.657 38.000 -0.002 0.000 1.244 183 I HN -0.236 nan 8.210 nan 0.000 0.420 184 G N 3.487 112.326 108.800 0.065 0.000 2.379 184 G HA2 0.783 4.743 3.960 -0.000 0.000 0.327 184 G HA3 0.783 4.743 3.960 -0.000 0.000 0.327 184 G C -1.128 173.769 174.900 -0.005 0.000 1.145 184 G CA -0.486 44.610 45.100 -0.006 0.000 0.905 184 G HN 0.755 nan 8.290 nan 0.000 0.466 185 A N 1.223 123.893 122.820 -0.250 0.000 2.355 185 A HA 0.898 5.217 4.320 -0.000 0.000 0.317 185 A C -1.400 175.946 177.584 -0.396 0.000 1.094 185 A CA -0.584 51.363 52.037 -0.150 0.000 0.764 185 A CB 1.075 19.992 19.000 -0.138 0.000 1.230 185 A HN 0.557 nan 8.150 nan 0.000 0.448 186 F N 0.393 120.279 119.950 -0.105 0.000 2.588 186 F HA 0.702 5.229 4.527 -0.000 0.000 0.314 186 F C 0.591 176.334 175.800 -0.095 0.000 1.069 186 F CA -0.547 57.352 58.000 -0.168 0.000 0.931 186 F CB 2.469 41.342 39.000 -0.212 0.000 1.260 186 F HN 0.504 nan 8.300 nan 0.000 0.465 187 S N -0.153 115.621 115.700 0.124 0.000 2.537 187 S HA 0.566 5.036 4.470 -0.000 0.000 0.301 187 S C -0.543 174.166 174.600 0.182 0.000 1.092 187 S CA -0.384 57.853 58.200 0.062 0.000 1.048 187 S CB 1.114 64.241 63.200 -0.123 0.000 1.053 187 S HN 0.764 nan 8.310 nan 0.000 0.501 188 C N 4.057 123.414 119.300 0.094 0.000 2.859 188 C HA 0.399 4.859 4.460 -0.000 0.000 0.256 188 C C 0.496 175.530 174.990 0.073 0.000 1.660 188 C CA -0.571 58.489 59.018 0.071 0.000 1.755 188 C CB -1.163 26.575 27.740 -0.003 0.000 3.127 188 C HN 0.859 nan 8.230 nan 0.000 0.494 189 Q N 1.383 121.234 119.800 0.085 0.000 2.474 189 Q HA -0.025 4.315 4.340 -0.000 0.000 0.256 189 Q C 1.394 177.529 176.000 0.224 0.000 1.048 189 Q CA 0.653 56.533 55.803 0.129 0.000 0.922 189 Q CB 0.491 29.306 28.738 0.129 0.000 1.288 189 Q HN 0.694 nan 8.270 nan 0.000 0.484 190 Q N 2.207 122.149 119.800 0.236 0.000 2.142 190 Q HA -0.245 4.094 4.340 -0.000 0.000 0.213 190 Q C 1.437 177.797 176.000 0.601 0.000 1.004 190 Q CA 2.360 58.348 55.803 0.308 0.000 0.883 190 Q CB -0.544 28.322 28.738 0.214 0.000 0.939 190 Q HN 0.933 nan 8.270 nan 0.000 0.413 191 G N 0.496 109.689 108.800 0.655 0.000 2.471 191 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 191 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 191 G C 0.292 175.767 174.900 0.958 0.000 1.125 191 G CA 0.040 45.690 45.100 0.917 0.000 0.775 191 G HN 0.117 nan 8.290 nan 0.000 0.548 192 K N 0.531 121.307 120.400 0.626 0.000 2.230 192 K HA 0.133 4.452 4.320 -0.000 0.000 0.253 192 K C 1.799 178.599 176.600 0.333 0.000 1.008 192 K CA -0.021 56.493 56.287 0.378 0.000 0.910 192 K CB 1.037 33.598 32.500 0.102 0.000 0.994 192 K HN 0.055 nan 8.250 nan 0.000 0.495 193 V N -1.459 118.400 119.914 -0.092 0.000 2.759 193 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 193 V C 0.738 176.869 176.094 0.061 0.000 1.080 193 V CA 0.819 62.943 62.300 -0.294 0.000 1.101 193 V CB -0.539 31.037 31.823 -0.412 0.000 0.698 193 V HN 0.437 nan 8.190 nan 0.000 0.477 194 L N 0.955 122.080 121.223 -0.162 0.000 2.377 194 L HA 0.806 5.146 4.340 -0.000 0.000 0.270 194 L C -0.596 176.263 176.870 -0.018 0.000 0.991 194 L CA 0.288 55.073 54.840 -0.092 0.000 0.851 194 L CB 1.417 43.328 42.059 -0.247 0.000 1.218 194 L HN 0.277 nan 8.230 nan 0.000 0.420 195 T N 2.952 117.557 114.554 0.085 0.000 2.883 195 T HA 0.812 5.161 4.350 -0.000 0.000 0.301 195 T C -0.470 174.209 174.700 -0.034 0.000 1.158 195 T CA 0.207 62.344 62.100 0.062 0.000 1.007 195 T CB 1.803 70.799 68.868 0.213 0.000 1.186 195 T HN 0.717 nan 8.240 nan 0.000 0.499 196 A N 0.898 123.688 122.820 -0.050 0.000 2.543 196 A HA 0.655 4.975 4.320 -0.000 0.000 0.279 196 A C 1.284 178.834 177.584 -0.056 0.000 0.917 196 A CA 0.760 52.745 52.037 -0.087 0.000 1.036 196 A CB -0.680 18.242 19.000 -0.131 0.000 1.227 196 A HN 1.958 nan 8.150 nan 0.000 0.503 197 G N -0.286 108.505 108.800 -0.015 0.000 3.206 197 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 197 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 197 G C -0.021 174.900 174.900 0.035 0.000 1.350 197 G CA 0.465 45.567 45.100 0.005 0.000 0.836 197 G HN 0.588 nan 8.290 nan 0.000 0.548 198 E N 0.579 120.787 120.200 0.012 0.000 2.367 198 E HA 0.644 4.993 4.350 -0.000 0.000 0.273 198 E C 0.075 176.675 176.600 0.001 0.000 0.903 198 E CA 0.275 56.690 56.400 0.025 0.000 0.764 198 E CB 1.700 31.415 29.700 0.026 0.000 1.252 198 E HN 1.718 nan 8.360 nan 0.000 0.446 199 G N -0.421 108.385 108.800 0.009 0.000 2.358 199 G HA2 0.479 4.438 3.960 -0.000 0.000 0.303 199 G HA3 0.479 4.438 3.960 -0.000 0.000 0.303 199 G C -1.071 173.835 174.900 0.009 0.000 1.537 199 G CA -0.180 44.913 45.100 -0.011 0.000 0.928 199 G HN 0.634 nan 8.290 nan 0.000 0.656 200 G N -1.058 107.751 108.800 0.014 0.000 2.690 200 G HA2 0.830 4.790 3.960 -0.000 0.000 0.291 200 G HA3 0.830 4.790 3.960 -0.000 0.000 0.291 200 G C -1.272 173.662 174.900 0.056 0.000 1.403 200 G CA -0.734 44.391 45.100 0.041 0.000 0.864 200 G HN 0.964 nan 8.290 nan 0.000 0.480 201 I N 0.074 120.699 120.570 0.093 0.000 2.722 201 I HA 0.486 4.656 4.170 -0.000 0.000 0.295 201 I C -0.964 175.281 176.117 0.213 0.000 1.161 201 I CA -0.761 60.581 61.300 0.070 0.000 1.032 201 I CB 2.660 40.504 38.000 -0.259 0.000 1.244 201 I HN 0.222 nan 8.210 nan 0.000 0.421 202 I N 5.684 126.370 120.570 0.193 0.000 2.498 202 I HA 0.595 4.765 4.170 -0.000 0.000 0.290 202 I C -0.695 175.584 176.117 0.270 0.000 1.032 202 I CA -0.994 60.442 61.300 0.227 0.000 1.073 202 I CB 2.264 40.353 38.000 0.148 0.000 1.251 202 I HN 0.331 nan 8.210 nan 0.000 0.426 203 V N 1.614 121.717 119.914 0.315 0.000 2.962 203 V HA 0.911 5.031 4.120 -0.000 0.000 0.313 203 V C -0.698 175.535 176.094 0.231 0.000 1.099 203 V CA -0.266 62.212 62.300 0.297 0.000 0.971 203 V CB 1.998 34.042 31.823 0.368 0.000 1.028 203 V HN 0.834 nan 8.190 nan 0.000 0.430 204 T N 1.326 116.010 114.554 0.218 0.000 2.830 204 T HA 0.452 4.802 4.350 -0.000 0.000 0.322 204 T C -0.048 174.776 174.700 0.207 0.000 1.501 204 T CA -0.318 61.898 62.100 0.193 0.000 1.036 204 T CB 2.245 71.231 68.868 0.196 0.000 1.379 204 T HN 0.900 nan 8.240 nan 0.000 0.493 205 K N 0.961 121.459 120.400 0.164 0.000 2.352 205 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 205 K C 0.690 177.443 176.600 0.255 0.000 1.038 205 K CA -0.244 56.121 56.287 0.131 0.000 1.023 205 K CB 0.223 32.761 32.500 0.063 0.000 0.840 205 K HN 0.348 nan 8.250 nan 0.000 0.519 206 N N 1.885 120.736 118.700 0.252 0.000 2.422 206 N HA 0.073 4.813 4.740 -0.000 0.000 0.264 206 N C -2.269 173.338 175.510 0.162 0.000 1.063 206 N CA -1.791 51.382 53.050 0.205 0.000 0.959 206 N CB 1.612 40.168 38.487 0.116 0.000 1.087 206 N HN -0.210 nan 8.380 nan 0.000 0.483 207 P HA -0.112 nan 4.420 nan 0.000 0.215 207 P C 1.295 178.542 177.300 -0.088 0.000 1.153 207 P CA 1.176 64.177 63.100 -0.166 0.000 0.853 207 P CB 0.295 32.017 31.700 0.035 0.000 0.788 208 R N 0.064 120.557 120.500 -0.013 0.000 2.073 208 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 208 R C 2.222 178.503 176.300 -0.031 0.000 1.134 208 R CA 1.360 57.448 56.100 -0.020 0.000 0.952 208 R CB -0.972 29.327 30.300 -0.001 0.000 0.850 208 R HN 0.130 nan 8.270 nan 0.000 0.433 209 L N 0.236 121.457 121.223 -0.004 0.000 2.079 209 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 209 L C 2.439 179.324 176.870 0.025 0.000 1.081 209 L CA 1.074 55.913 54.840 -0.002 0.000 0.752 209 L CB -0.596 41.474 42.059 0.018 0.000 0.896 209 L HN 0.245 nan 8.230 nan 0.000 0.433 210 F N 1.362 121.209 119.950 -0.171 0.000 2.126 210 F HA -0.225 4.302 4.527 0.000 0.000 0.299 210 F C 2.443 178.145 175.800 -0.164 0.000 1.096 210 F CA 1.669 59.539 58.000 -0.215 0.000 1.255 210 F CB -0.281 38.340 39.000 -0.632 0.000 0.997 210 F HN 0.098 nan 8.300 nan 0.000 0.479 211 E N 0.367 120.374 120.200 -0.322 0.000 2.072 211 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 211 E C 2.437 178.876 176.600 -0.269 0.000 0.985 211 E CA 1.422 57.590 56.400 -0.387 0.000 0.801 211 E CB -0.419 29.150 29.700 -0.218 0.000 0.750 211 E HN 0.446 nan 8.360 nan 0.000 0.452 212 L N 0.807 121.933 121.223 -0.162 0.000 2.017 212 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 212 L C 2.570 179.372 176.870 -0.115 0.000 1.073 212 L CA 1.065 55.835 54.840 -0.117 0.000 0.745 212 L CB -0.505 41.506 42.059 -0.081 0.000 0.894 212 L HN 0.134 nan 8.230 nan 0.000 0.432 213 I N -0.545 119.964 120.570 -0.103 0.000 2.208 213 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 213 I C 2.698 178.748 176.117 -0.111 0.000 1.097 213 I CA 1.297 62.559 61.300 -0.065 0.000 1.363 213 I CB -0.340 37.667 38.000 0.012 0.000 1.051 213 I HN 0.360 nan 8.210 nan 0.000 0.413 214 Q N 0.380 120.034 119.800 -0.243 0.000 2.061 214 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 214 Q C 2.299 178.166 176.000 -0.222 0.000 0.984 214 Q CA 1.701 57.313 55.803 -0.318 0.000 0.846 214 Q CB -0.190 28.209 28.738 -0.566 0.000 0.902 214 Q HN 0.588 nan 8.270 nan 0.000 0.421 215 Q N 0.286 119.969 119.800 -0.196 0.000 2.124 215 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 215 Q C 2.142 178.098 176.000 -0.072 0.000 0.977 215 Q CA 0.963 56.686 55.803 -0.132 0.000 0.850 215 Q CB -0.104 28.564 28.738 -0.117 0.000 0.901 215 Q HN 0.370 nan 8.270 nan 0.000 0.429 216 L N 0.524 121.718 121.223 -0.047 0.000 2.191 216 L HA -0.179 4.160 4.340 -0.000 0.000 0.212 216 L C 2.174 179.101 176.870 0.096 0.000 1.103 216 L CA 1.225 56.075 54.840 0.018 0.000 0.769 216 L CB -0.132 41.935 42.059 0.014 0.000 0.908 216 L HN 0.242 nan 8.230 nan 0.000 0.438 217 R N -0.417 120.120 120.500 0.062 0.000 2.397 217 R HA 0.274 4.614 4.340 -0.000 0.000 0.241 217 R C 0.637 176.951 176.300 0.023 0.000 0.914 217 R CA 0.753 56.933 56.100 0.134 0.000 1.071 217 R CB 0.110 30.488 30.300 0.130 0.000 1.116 217 R HN 0.010 nan 8.270 nan 0.000 0.524 218 A N 1.109 123.902 122.820 -0.044 0.000 2.812 218 A HA 0.332 4.652 4.320 -0.000 0.000 0.294 218 A C -0.732 176.806 177.584 -0.078 0.000 1.014 218 A CA -0.441 51.553 52.037 -0.072 0.000 1.024 218 A CB -0.120 18.817 19.000 -0.106 0.000 1.162 218 A HN 0.302 nan 8.150 nan 0.000 0.511 219 D N 0.785 121.138 120.400 -0.080 0.000 2.689 219 D HA -0.173 4.467 4.640 -0.000 0.000 0.237 219 D C 0.413 176.675 176.300 -0.062 0.000 1.148 219 D CA 1.554 55.510 54.000 -0.073 0.000 0.656 219 D CB -1.446 39.310 40.800 -0.072 0.000 1.050 219 D HN 0.750 nan 8.370 nan 0.000 0.426 220 S N -2.225 113.437 115.700 -0.064 0.000 3.482 220 S HA -0.272 4.198 4.470 -0.000 0.000 0.294 220 S C 0.519 175.070 174.600 -0.081 0.000 1.244 220 S CA 1.283 59.443 58.200 -0.067 0.000 0.911 220 S CB -0.676 62.494 63.200 -0.051 0.000 1.070 220 S HN 0.543 nan 8.310 nan 0.000 0.614 221 R N 0.087 120.526 120.500 -0.101 0.000 2.828 221 R HA 0.818 5.158 4.340 -0.000 0.000 0.264 221 R C 0.167 176.356 176.300 -0.185 0.000 1.022 221 R CA -0.543 55.489 56.100 -0.114 0.000 1.021 221 R CB 1.398 31.645 30.300 -0.089 0.000 1.163 221 R HN 0.243 nan 8.270 nan 0.000 0.494 222 V N -1.964 117.837 119.914 -0.188 0.000 3.167 222 V HA 0.527 4.646 4.120 -0.000 0.000 0.310 222 V C -1.033 174.941 176.094 -0.200 0.000 1.207 222 V CA -1.207 60.919 62.300 -0.290 0.000 1.059 222 V CB 1.181 32.868 31.823 -0.225 0.000 1.079 222 V HN 0.531 nan 8.190 nan 0.000 0.446 223 Y N 1.093 121.353 120.300 -0.067 0.000 2.457 223 Y HA 0.447 4.996 4.550 -0.000 0.000 0.341 223 Y C 1.469 177.355 175.900 -0.023 0.000 1.240 223 Y CA -0.023 58.066 58.100 -0.017 0.000 1.437 223 Y CB 0.035 38.508 38.460 0.020 0.000 1.328 223 Y HN 1.112 nan 8.280 nan 0.000 0.588 224 C N 0.846 120.240 119.300 0.157 0.000 2.745 224 C HA 0.049 4.509 4.460 -0.000 0.000 0.387 224 C C 1.617 176.636 174.990 0.048 0.000 1.312 224 C CA -0.874 58.177 59.018 0.055 0.000 2.204 224 C CB 0.403 28.144 27.740 0.001 0.000 2.686 224 C HN 0.854 nan 8.230 nan 0.000 0.705 225 D N 0.451 120.860 120.400 0.015 0.000 2.116 225 D HA -0.076 4.564 4.640 -0.000 0.000 0.193 225 D C 0.174 176.476 176.300 0.003 0.000 0.998 225 D CA 2.267 56.276 54.000 0.015 0.000 0.836 225 D CB -0.130 40.670 40.800 -0.000 0.000 0.951 225 D HN 0.848 nan 8.370 nan 0.000 0.449 226 D N -1.319 119.059 120.400 -0.037 0.000 2.478 226 D HA 0.163 4.802 4.640 -0.000 0.000 0.240 226 D C 0.095 176.308 176.300 -0.146 0.000 1.364 226 D CA -0.313 53.649 54.000 -0.064 0.000 0.987 226 D CB 1.488 42.256 40.800 -0.053 0.000 1.328 226 D HN -0.350 nan 8.370 nan 0.000 0.584 227 S N 1.005 116.596 115.700 -0.181 0.000 2.474 227 S HA -0.124 4.345 4.470 -0.000 0.000 0.235 227 S C 1.860 176.164 174.600 -0.492 0.000 0.997 227 S CA 1.116 59.083 58.200 -0.389 0.000 0.949 227 S CB -0.048 62.974 63.200 -0.295 0.000 0.766 227 S HN 0.633 nan 8.310 nan 0.000 0.517 228 S N 1.110 116.668 115.700 -0.237 0.000 2.481 228 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 228 S C 1.551 176.049 174.600 -0.170 0.000 0.996 228 S CA 0.895 59.003 58.200 -0.154 0.000 0.942 228 S CB -0.404 62.763 63.200 -0.055 0.000 0.768 228 S HN 0.644 nan 8.310 nan 0.000 0.520 229 E N 1.245 121.322 120.200 -0.205 0.000 2.400 229 E HA 0.429 4.779 4.350 -0.000 0.000 0.195 229 E C 0.783 177.250 176.600 -0.221 0.000 1.012 229 E CA 0.044 56.348 56.400 -0.160 0.000 0.875 229 E CB -0.599 29.032 29.700 -0.116 0.000 0.859 229 E HN 0.727 nan 8.360 nan 0.000 0.498 230 L N 0.507 121.479 121.223 -0.417 0.000 2.485 230 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 230 L C 0.831 177.490 176.870 -0.352 0.000 1.207 230 L CA 0.240 54.775 54.840 -0.509 0.000 0.855 230 L CB 0.777 42.226 42.059 -1.017 0.000 1.114 230 L HN 0.537 nan 8.230 nan 0.000 0.485 231 M N 2.316 121.851 119.600 -0.109 0.000 2.644 231 M HA 0.326 4.806 4.480 -0.000 0.000 0.316 231 M C 0.017 176.482 176.300 0.276 0.000 1.200 231 M CA -0.850 54.508 55.300 0.097 0.000 0.944 231 M CB 0.966 33.605 32.600 0.065 0.000 1.691 231 M HN 0.685 nan 8.290 nan 0.000 0.471 232 H N 0.779 120.014 119.070 0.275 0.000 3.157 232 H HA 0.347 4.903 4.556 -0.000 0.000 0.299 232 H C 1.269 176.654 175.328 0.095 0.000 0.961 232 H CA 2.460 58.670 56.048 0.269 0.000 1.428 232 H CB 0.126 29.986 29.762 0.163 0.000 1.459 232 H HN 1.490 nan 8.280 nan 0.000 0.566 233 G N 4.848 113.656 108.800 0.013 0.000 2.253 233 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.209 233 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.209 233 G C -0.059 174.759 174.900 -0.137 0.000 0.997 233 G CA 0.107 45.006 45.100 -0.335 0.000 0.640 233 G HN 0.621 nan 8.290 nan 0.000 0.496 234 D N 1.400 121.834 120.400 0.058 0.000 2.313 234 D HA 0.518 5.158 4.640 -0.000 0.000 0.247 234 D C 1.001 177.391 176.300 0.150 0.000 1.094 234 D CA -0.005 54.030 54.000 0.059 0.000 0.925 234 D CB 0.589 41.393 40.800 0.006 0.000 1.188 234 D HN 0.030 nan 8.370 nan 0.000 0.430 235 M N 1.316 120.980 119.600 0.107 0.000 2.235 235 M HA 0.061 4.541 4.480 -0.000 0.000 0.351 235 M C 1.137 177.503 176.300 0.111 0.000 1.178 235 M CA 0.192 55.573 55.300 0.134 0.000 1.143 235 M CB 1.384 34.038 32.600 0.090 0.000 1.530 235 M HN 0.449 nan 8.290 nan 0.000 0.461 236 Q N 2.673 122.570 119.800 0.162 0.000 2.339 236 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 236 Q C -0.344 175.752 176.000 0.160 0.000 0.925 236 Q CA 0.509 56.409 55.803 0.162 0.000 0.898 236 Q CB 0.555 29.461 28.738 0.279 0.000 1.013 236 Q HN 0.620 nan 8.270 nan 0.000 0.504 237 L N 2.084 123.383 121.223 0.127 0.000 2.312 237 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 237 L C -0.408 176.479 176.870 0.028 0.000 1.070 237 L CA -0.936 53.944 54.840 0.066 0.000 0.805 237 L CB 1.537 43.614 42.059 0.029 0.000 1.174 237 L HN 0.003 nan 8.230 nan 0.000 0.434 238 V N 0.286 120.200 119.914 -0.001 0.000 3.040 238 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 238 V C -0.423 175.651 176.094 -0.033 0.000 1.115 238 V CA -1.274 61.020 62.300 -0.010 0.000 0.998 238 V CB 1.756 33.575 31.823 -0.005 0.000 1.042 238 V HN 0.790 nan 8.190 nan 0.000 0.433 239 K N 1.482 121.865 120.400 -0.028 0.000 2.380 239 K HA 0.356 4.676 4.320 -0.000 0.000 0.267 239 K C -0.143 176.431 176.600 -0.043 0.000 0.990 239 K CA -0.081 56.184 56.287 -0.036 0.000 0.946 239 K CB 0.868 33.352 32.500 -0.026 0.000 0.937 239 K HN 0.765 nan 8.250 nan 0.000 0.491 240 K N 0.622 120.992 120.400 -0.050 0.000 2.889 240 K HA 0.183 4.503 4.320 -0.000 0.000 0.209 240 K C 0.583 177.155 176.600 -0.046 0.000 1.651 240 K CA 0.903 57.158 56.287 -0.054 0.000 1.170 240 K CB -0.040 32.414 32.500 -0.077 0.000 1.981 240 K HN 0.947 nan 8.250 nan 0.000 0.522 241 G N 1.789 110.560 108.800 -0.049 0.000 2.160 241 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 241 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 241 G C 0.204 175.082 174.900 -0.037 0.000 1.008 241 G CA 0.802 45.878 45.100 -0.039 0.000 0.724 241 G HN 0.424 nan 8.290 nan 0.000 0.514 242 D N -0.704 119.670 120.400 -0.044 0.000 2.249 242 D HA 0.206 4.846 4.640 -0.000 0.000 0.205 242 D C 1.209 177.487 176.300 -0.037 0.000 0.962 242 D CA 0.974 54.950 54.000 -0.039 0.000 0.860 242 D CB 0.658 41.430 40.800 -0.046 0.000 0.955 242 D HN 0.622 nan 8.370 nan 0.000 0.505 243 I N 0.322 120.867 120.570 -0.043 0.000 2.692 243 I HA 0.097 4.267 4.170 -0.000 0.000 0.293 243 I C -1.324 174.773 176.117 -0.034 0.000 1.200 243 I CA -0.871 60.407 61.300 -0.036 0.000 1.036 243 I CB 2.229 40.204 38.000 -0.042 0.000 1.258 243 I HN -0.369 nan 8.210 nan 0.000 0.421 244 Q N 4.621 124.407 119.800 -0.022 0.000 2.271 244 Q HA 0.529 4.869 4.340 -0.000 0.000 0.273 244 Q C -0.470 175.524 176.000 -0.011 0.000 1.051 244 Q CA 0.384 56.176 55.803 -0.018 0.000 0.901 244 Q CB 1.181 29.913 28.738 -0.010 0.000 1.174 244 Q HN 0.762 nan 8.270 nan 0.000 0.385 245 G N 1.921 110.710 108.800 -0.019 0.000 2.788 245 G HA2 0.726 4.686 3.960 -0.000 0.000 0.293 245 G HA3 0.726 4.686 3.960 -0.000 0.000 0.293 245 G C -1.073 173.807 174.900 -0.032 0.000 1.305 245 G CA -0.594 44.504 45.100 -0.004 0.000 1.005 245 G HN 0.626 nan 8.290 nan 0.000 0.496 246 S N -1.673 113.993 115.700 -0.058 0.000 2.745 246 S HA 0.400 4.870 4.470 -0.000 0.000 0.306 246 S C -0.377 174.010 174.600 -0.354 0.000 1.137 246 S CA -0.801 57.264 58.200 -0.225 0.000 0.900 246 S CB 1.628 64.631 63.200 -0.328 0.000 1.176 246 S HN 0.662 nan 8.310 nan 0.000 0.520 247 N N 0.610 119.027 118.700 -0.471 0.000 2.415 247 N HA 0.185 4.925 4.740 -0.000 0.000 0.246 247 N C -1.592 173.598 175.510 -0.533 0.000 1.078 247 N CA 0.153 52.985 53.050 -0.364 0.000 0.942 247 N CB 0.176 38.531 38.487 -0.220 0.000 1.140 247 N HN 0.492 nan 8.380 nan 0.000 0.501 248 Y N 2.385 122.682 120.300 -0.005 0.000 2.629 248 Y HA 0.279 4.829 4.550 -0.000 0.000 0.282 248 Y C -0.072 175.833 175.900 0.008 0.000 0.994 248 Y CA -0.870 57.232 58.100 0.003 0.000 1.126 248 Y CB -0.085 38.376 38.460 0.001 0.000 1.187 248 Y HN 0.431 nan 8.280 nan 0.000 0.600 249 C N 1.569 120.927 119.300 0.096 0.000 2.527 249 C HA 0.443 4.903 4.460 -0.000 0.000 0.396 249 C C 0.571 175.608 174.990 0.077 0.000 1.289 249 C CA -0.824 58.239 59.018 0.076 0.000 2.047 249 C CB -0.003 27.762 27.740 0.041 0.000 2.568 249 C HN 0.426 nan 8.230 nan 0.000 0.573 250 L N 4.074 125.340 121.223 0.072 0.000 2.326 250 L HA 0.385 4.725 4.340 -0.000 0.000 0.278 250 L C 0.748 177.635 176.870 0.029 0.000 1.092 250 L CA 0.638 55.507 54.840 0.048 0.000 0.810 250 L CB 0.953 43.032 42.059 0.034 0.000 1.153 250 L HN 0.866 nan 8.230 nan 0.000 0.439 251 S N 3.075 118.790 115.700 0.025 0.000 2.579 251 S HA 0.112 4.582 4.470 -0.000 0.000 0.275 251 S C 0.865 175.424 174.600 -0.068 0.000 1.345 251 S CA -0.312 57.896 58.200 0.013 0.000 1.031 251 S CB 0.619 63.872 63.200 0.089 0.000 0.892 251 S HN 0.732 nan 8.310 nan 0.000 0.529 252 E N 1.138 121.228 120.200 -0.184 0.000 2.153 252 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 252 E C 1.423 177.813 176.600 -0.351 0.000 0.988 252 E CA 1.063 57.293 56.400 -0.284 0.000 0.811 252 E CB -0.380 29.095 29.700 -0.375 0.000 0.746 252 E HN 0.838 nan 8.360 nan 0.000 0.466 253 F N 1.520 121.333 119.950 -0.229 0.000 2.134 253 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 253 F C 2.557 178.221 175.800 -0.227 0.000 1.097 253 F CA 1.184 59.004 58.000 -0.299 0.000 1.264 253 F CB -0.538 38.235 39.000 -0.377 0.000 1.001 253 F HN 0.036 nan 8.300 nan 0.000 0.479 254 Q N -0.580 119.213 119.800 -0.013 0.000 2.083 254 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 254 Q C 2.365 178.253 176.000 -0.186 0.000 0.969 254 Q CA 1.582 57.331 55.803 -0.091 0.000 0.838 254 Q CB -0.385 28.310 28.738 -0.073 0.000 0.900 254 Q HN 0.242 nan 8.270 nan 0.000 0.436 255 S N 0.875 116.468 115.700 -0.178 0.000 2.399 255 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 255 S C 2.013 176.489 174.600 -0.208 0.000 1.022 255 S CA 1.003 59.062 58.200 -0.235 0.000 0.983 255 S CB -0.228 62.926 63.200 -0.077 0.000 0.803 255 S HN 0.487 nan 8.310 nan 0.000 0.480 256 A N 1.318 124.050 122.820 -0.147 0.000 1.898 256 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 256 A C 2.030 179.551 177.584 -0.105 0.000 1.181 256 A CA 0.983 52.956 52.037 -0.106 0.000 0.620 256 A CB -0.564 18.370 19.000 -0.110 0.000 0.819 256 A HN 0.490 nan 8.150 nan 0.000 0.442 257 I N -0.319 120.174 120.570 -0.129 0.000 2.315 257 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 257 I C 2.235 178.256 176.117 -0.160 0.000 1.117 257 I CA 0.861 62.089 61.300 -0.121 0.000 1.404 257 I CB -0.262 37.665 38.000 -0.122 0.000 1.071 257 I HN 0.281 nan 8.210 nan 0.000 0.419 258 L N -0.135 120.911 121.223 -0.295 0.000 2.093 258 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 258 L C 2.553 179.289 176.870 -0.224 0.000 1.085 258 L CA 0.793 55.366 54.840 -0.444 0.000 0.755 258 L CB -0.467 40.923 42.059 -1.114 0.000 0.904 258 L HN 0.277 nan 8.230 nan 0.000 0.435 259 L N 0.613 121.769 121.223 -0.113 0.000 2.046 259 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 259 L C 2.069 178.982 176.870 0.073 0.000 1.077 259 L CA 2.194 57.113 54.840 0.132 0.000 0.747 259 L CB -0.551 41.574 42.059 0.110 0.000 0.896 259 L HN 0.296 nan 8.230 nan 0.000 0.432 260 D N -1.664 118.743 120.400 0.011 0.000 2.084 260 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 260 D C 1.971 178.284 176.300 0.022 0.000 0.990 260 D CA 1.343 55.352 54.000 0.015 0.000 0.826 260 D CB -0.053 40.746 40.800 -0.002 0.000 0.971 260 D HN 0.343 nan 8.370 nan 0.000 0.453 261 Q N -0.405 119.396 119.800 0.002 0.000 2.170 261 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 261 Q C 2.273 178.297 176.000 0.039 0.000 0.976 261 Q CA 0.536 56.351 55.803 0.020 0.000 0.858 261 Q CB -0.474 28.264 28.738 -0.001 0.000 0.907 261 Q HN 0.388 nan 8.270 nan 0.000 0.433 262 L N 0.953 122.207 121.223 0.052 0.000 2.201 262 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 262 L C 2.133 179.003 176.870 -0.001 0.000 1.105 262 L CA 1.574 56.431 54.840 0.028 0.000 0.775 262 L CB -0.408 41.745 42.059 0.157 0.000 0.913 262 L HN 0.058 nan 8.230 nan 0.000 0.440 263 Q N 0.352 120.176 119.800 0.040 0.000 2.181 263 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 263 Q C 1.570 177.601 176.000 0.052 0.000 0.980 263 Q CA 2.130 57.961 55.803 0.046 0.000 0.862 263 Q CB -0.016 28.750 28.738 0.047 0.000 0.905 263 Q HN 0.809 nan 8.270 nan 0.000 0.429 264 E N -1.389 118.845 120.200 0.057 0.000 2.538 264 E HA 0.040 4.390 4.350 -0.000 0.000 0.207 264 E C 1.264 177.921 176.600 0.095 0.000 1.002 264 E CA -0.146 56.300 56.400 0.078 0.000 0.952 264 E CB -0.026 29.725 29.700 0.085 0.000 1.031 264 E HN 0.161 nan 8.360 nan 0.000 0.476 265 L N 2.240 123.497 121.223 0.058 0.000 1.989 265 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 265 L C 1.901 178.851 176.870 0.134 0.000 1.071 265 L CA 2.394 57.268 54.840 0.057 0.000 0.749 265 L CB -0.457 41.537 42.059 -0.107 0.000 0.890 265 L HN 0.077 nan 8.230 nan 0.000 0.431 266 D N -1.074 119.441 120.400 0.192 0.000 2.144 266 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 266 D C 1.693 178.097 176.300 0.173 0.000 0.984 266 D CA 1.332 55.496 54.000 0.272 0.000 0.834 266 D CB 0.010 41.011 40.800 0.335 0.000 0.955 266 D HN 0.428 nan 8.370 nan 0.000 0.465 267 D N -0.145 120.337 120.400 0.136 0.000 2.097 267 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 267 D C 1.969 178.337 176.300 0.113 0.000 0.984 267 D CA 0.773 54.838 54.000 0.108 0.000 0.826 267 D CB -0.104 40.750 40.800 0.089 0.000 0.973 267 D HN 0.262 nan 8.370 nan 0.000 0.460 268 K N 0.451 120.929 120.400 0.129 0.000 2.097 268 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 268 K C 1.884 178.563 176.600 0.132 0.000 1.049 268 K CA 0.770 57.141 56.287 0.140 0.000 0.933 268 K CB -0.124 32.486 32.500 0.184 0.000 0.717 268 K HN 0.176 nan 8.250 nan 0.000 0.442 269 N N 0.487 119.271 118.700 0.139 0.000 2.120 269 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 269 N C 1.856 177.457 175.510 0.152 0.000 1.024 269 N CA 0.815 53.955 53.050 0.151 0.000 0.852 269 N CB -0.088 38.508 38.487 0.182 0.000 1.003 269 N HN 0.175 nan 8.380 nan 0.000 0.424 270 A N 1.276 124.175 122.820 0.131 0.000 1.908 270 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 270 A C 2.096 179.736 177.584 0.093 0.000 1.181 270 A CA 1.097 53.200 52.037 0.109 0.000 0.627 270 A CB -0.615 18.437 19.000 0.088 0.000 0.818 270 A HN 0.214 nan 8.150 nan 0.000 0.445 271 I N -1.004 119.618 120.570 0.087 0.000 2.202 271 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 271 I C 2.786 178.940 176.117 0.061 0.000 1.091 271 I CA 1.408 62.746 61.300 0.064 0.000 1.368 271 I CB -0.375 37.666 38.000 0.069 0.000 1.058 271 I HN 0.297 nan 8.210 nan 0.000 0.410 272 R N 0.580 121.134 120.500 0.091 0.000 2.083 272 R HA -0.236 4.104 4.340 -0.000 0.000 0.237 272 R C 2.250 178.577 176.300 0.046 0.000 1.137 272 R CA 1.849 57.999 56.100 0.083 0.000 0.951 272 R CB -0.445 29.943 30.300 0.146 0.000 0.851 272 R HN 0.419 nan 8.270 nan 0.000 0.434 273 E N 1.361 121.651 120.200 0.150 0.000 2.077 273 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 273 E C 2.027 178.662 176.600 0.059 0.000 0.989 273 E CA 1.428 57.940 56.400 0.187 0.000 0.800 273 E CB 0.060 29.922 29.700 0.270 0.000 0.746 273 E HN 0.196 nan 8.360 nan 0.000 0.452 274 K N 0.427 120.858 120.400 0.052 0.000 2.032 274 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 274 K C 1.740 178.346 176.600 0.010 0.000 1.048 274 K CA 1.995 58.301 56.287 0.031 0.000 0.927 274 K CB -0.204 32.306 32.500 0.017 0.000 0.712 274 K HN 0.169 nan 8.250 nan 0.000 0.441 275 N N -0.091 118.594 118.700 -0.025 0.000 2.244 275 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 275 N C 1.782 177.227 175.510 -0.109 0.000 1.016 275 N CA 0.751 53.785 53.050 -0.027 0.000 0.866 275 N CB -0.091 38.369 38.487 -0.045 0.000 0.980 275 N HN 0.299 nan 8.380 nan 0.000 0.430 276 A N 1.227 123.881 122.820 -0.277 0.000 1.902 276 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 276 A C 2.137 179.579 177.584 -0.237 0.000 1.181 276 A CA 1.247 52.968 52.037 -0.526 0.000 0.623 276 A CB -0.454 17.895 19.000 -1.084 0.000 0.818 276 A HN 0.192 nan 8.150 nan 0.000 0.443 277 M N -1.942 117.616 119.600 -0.071 0.000 2.159 277 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 277 M C 2.120 178.440 176.300 0.033 0.000 1.063 277 M CA 1.710 57.029 55.300 0.031 0.000 1.110 277 M CB -0.466 32.177 32.600 0.071 0.000 1.374 277 M HN 0.555 nan 8.290 nan 0.000 0.411 278 F N 1.580 121.468 119.950 -0.104 0.000 2.095 278 F HA -0.198 4.328 4.527 -0.000 0.000 0.298 278 F C 1.811 177.537 175.800 -0.123 0.000 1.104 278 F CA 1.627 59.570 58.000 -0.096 0.000 1.232 278 F CB -0.376 38.564 39.000 -0.099 0.000 0.987 278 F HN -0.028 nan 8.300 nan 0.000 0.475 279 L N 0.142 121.158 121.223 -0.345 0.000 2.083 279 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 279 L C 2.187 178.890 176.870 -0.278 0.000 1.083 279 L CA 1.815 56.358 54.840 -0.495 0.000 0.752 279 L CB -1.009 40.615 42.059 -0.725 0.000 0.899 279 L HN 0.246 nan 8.230 nan 0.000 0.433 280 N N -0.061 118.583 118.700 -0.094 0.000 2.084 280 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 280 N C 1.486 176.958 175.510 -0.063 0.000 1.030 280 N CA 1.512 54.577 53.050 0.024 0.000 0.849 280 N CB -0.075 38.468 38.487 0.093 0.000 1.012 280 N HN 0.318 nan 8.380 nan 0.000 0.423 281 D N 0.458 120.793 120.400 -0.107 0.000 2.092 281 D HA -0.120 4.519 4.640 -0.000 0.000 0.193 281 D C 1.878 178.079 176.300 -0.165 0.000 0.994 281 D CA 1.544 55.480 54.000 -0.108 0.000 0.828 281 D CB -0.058 40.688 40.800 -0.089 0.000 0.963 281 D HN 0.286 nan 8.370 nan 0.000 0.450 282 A N 0.148 122.779 122.820 -0.315 0.000 1.841 282 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 282 A C 2.464 179.924 177.584 -0.206 0.000 1.195 282 A CA 1.246 53.097 52.037 -0.311 0.000 0.611 282 A CB -1.032 17.645 19.000 -0.539 0.000 0.835 282 A HN 0.359 nan 8.150 nan 0.000 0.443 283 L N 0.866 121.950 121.223 -0.232 0.000 2.127 283 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 283 L C 2.842 179.664 176.870 -0.080 0.000 1.089 283 L CA 1.559 56.287 54.840 -0.187 0.000 0.757 283 L CB -0.605 41.273 42.059 -0.303 0.000 0.899 283 L HN 0.616 nan 8.230 nan 0.000 0.434 284 S N -0.589 115.077 115.700 -0.057 0.000 2.507 284 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 284 S C 1.698 176.300 174.600 0.005 0.000 0.988 284 S CA 0.756 58.952 58.200 -0.007 0.000 0.944 284 S CB -0.252 62.946 63.200 -0.004 0.000 0.762 284 S HN 0.401 nan 8.310 nan 0.000 0.526 285 K N 0.484 120.876 120.400 -0.014 0.000 2.444 285 K HA 0.345 4.665 4.320 -0.000 0.000 0.193 285 K C -0.133 176.482 176.600 0.025 0.000 1.024 285 K CA 0.121 56.409 56.287 0.001 0.000 1.077 285 K CB 0.050 32.539 32.500 -0.019 0.000 0.833 285 K HN 0.475 nan 8.250 nan 0.000 0.517 286 I N 1.833 122.432 120.570 0.048 0.000 2.325 286 I HA 0.031 4.201 4.170 -0.000 0.000 0.291 286 I C -0.100 176.106 176.117 0.148 0.000 1.019 286 I CA -0.896 60.465 61.300 0.102 0.000 1.302 286 I CB 0.900 38.989 38.000 0.149 0.000 1.401 286 I HN 0.011 nan 8.210 nan 0.000 0.485 287 D N 5.072 125.545 120.400 0.121 0.000 2.493 287 D HA 0.234 4.873 4.640 -0.000 0.000 0.240 287 D C 1.106 177.541 176.300 0.224 0.000 1.142 287 D CA 1.594 55.668 54.000 0.123 0.000 0.872 287 D CB 0.710 41.548 40.800 0.062 0.000 1.173 287 D HN 0.822 nan 8.370 nan 0.000 0.467 288 G N 3.258 112.210 108.800 0.253 0.000 2.195 288 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.246 288 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.246 288 G C 0.182 175.371 174.900 0.482 0.000 0.984 288 G CA 0.073 45.421 45.100 0.414 0.000 0.633 288 G HN 0.504 nan 8.290 nan 0.000 0.525 289 I N 1.315 122.104 120.570 0.365 0.000 2.354 289 I HA 0.658 4.828 4.170 -0.000 0.000 0.292 289 I C 0.480 176.696 176.117 0.166 0.000 0.989 289 I CA -0.280 61.187 61.300 0.278 0.000 1.188 289 I CB 1.120 39.259 38.000 0.230 0.000 1.342 289 I HN 0.347 nan 8.210 nan 0.000 0.457 290 K N 6.438 126.918 120.400 0.133 0.000 2.535 290 K HA 0.665 4.985 4.320 -0.000 0.000 0.253 290 K C -0.452 176.172 176.600 0.041 0.000 0.953 290 K CA -0.672 55.654 56.287 0.064 0.000 0.863 290 K CB 1.222 33.738 32.500 0.027 0.000 1.111 290 K HN 0.542 nan 8.250 nan 0.000 0.431 291 V N -0.499 119.435 119.914 0.033 0.000 3.264 291 V HA 0.590 4.710 4.120 -0.000 0.000 0.304 291 V C 0.706 176.772 176.094 -0.047 0.000 1.086 291 V CA -1.138 61.169 62.300 0.011 0.000 1.090 291 V CB 0.573 32.422 31.823 0.044 0.000 1.112 291 V HN 0.763 nan 8.190 nan 0.000 0.472 292 M N 1.545 121.096 119.600 -0.082 0.000 2.228 292 M HA 0.352 4.832 4.480 -0.000 0.000 0.326 292 M C 0.295 176.579 176.300 -0.027 0.000 1.122 292 M CA -0.056 55.182 55.300 -0.103 0.000 1.161 292 M CB 0.094 32.626 32.600 -0.112 0.000 1.437 292 M HN 0.997 nan 8.290 nan 0.000 0.465 293 K N 1.936 122.319 120.400 -0.029 0.000 2.267 293 K HA 0.388 4.707 4.320 -0.000 0.000 0.282 293 K C -0.112 176.507 176.600 0.033 0.000 1.078 293 K CA -0.546 55.745 56.287 0.007 0.000 0.903 293 K CB 0.211 32.712 32.500 0.001 0.000 1.111 293 K HN 0.741 nan 8.250 nan 0.000 0.475 294 R N 3.922 124.450 120.500 0.047 0.000 2.216 294 R HA 0.302 4.642 4.340 -0.000 0.000 0.332 294 R C -2.239 174.075 176.300 0.025 0.000 1.056 294 R CA -1.280 54.852 56.100 0.054 0.000 0.901 294 R CB 0.377 30.723 30.300 0.076 0.000 1.039 294 R HN 0.475 nan 8.270 nan 0.000 0.456 295 P HA 0.151 nan 4.420 nan 0.000 0.272 295 P C -2.309 174.909 177.300 -0.137 0.000 1.223 295 P CA -1.306 61.771 63.100 -0.038 0.000 0.784 295 P CB 0.702 32.406 31.700 0.006 0.000 0.923 296 P HA -0.158 nan 4.420 nan 0.000 0.218 296 P C 1.120 178.243 177.300 -0.296 0.000 1.149 296 P CA 1.327 64.323 63.100 -0.174 0.000 0.817 296 P CB 0.020 31.639 31.700 -0.136 0.000 0.785 297 Q N -0.960 118.523 119.800 -0.528 0.000 2.291 297 Q HA -0.040 4.300 4.340 -0.000 0.000 0.206 297 Q C 0.380 175.956 176.000 -0.706 0.000 0.976 297 Q CA 0.650 55.944 55.803 -0.849 0.000 0.875 297 Q CB -0.762 26.895 28.738 -1.801 0.000 0.927 297 Q HN 0.122 nan 8.270 nan 0.000 0.450 298 V N 1.753 121.392 119.914 -0.457 0.000 2.405 298 V HA 0.031 4.151 4.120 -0.000 0.000 0.264 298 V C 0.991 177.011 176.094 -0.122 0.000 1.048 298 V CA 0.499 62.682 62.300 -0.196 0.000 0.966 298 V CB 1.000 32.791 31.823 -0.054 0.000 1.015 298 V HN 0.341 nan 8.190 nan 0.000 0.477 299 S N 4.468 120.108 115.700 -0.100 0.000 2.486 299 S HA 0.253 4.723 4.470 -0.000 0.000 0.220 299 S C 0.783 175.371 174.600 -0.019 0.000 1.011 299 S CA -0.196 57.967 58.200 -0.062 0.000 0.921 299 S CB 0.404 63.561 63.200 -0.071 0.000 0.785 299 S HN 0.555 nan 8.310 nan 0.000 0.517 300 R N 1.453 121.946 120.500 -0.011 0.000 2.515 300 R HA 0.487 4.827 4.340 -0.000 0.000 0.291 300 R C -1.682 174.630 176.300 0.019 0.000 1.046 300 R CA -0.204 55.908 56.100 0.020 0.000 0.914 300 R CB 1.612 31.917 30.300 0.009 0.000 1.191 300 R HN 0.356 nan 8.270 nan 0.000 0.435 301 Q N 1.157 120.980 119.800 0.039 0.000 2.333 301 Q HA 0.366 4.706 4.340 -0.000 0.000 0.265 301 Q C -1.048 174.922 176.000 -0.050 0.000 0.989 301 Q CA -0.136 55.629 55.803 -0.063 0.000 0.842 301 Q CB 1.707 30.343 28.738 -0.170 0.000 1.262 301 Q HN 0.439 nan 8.270 nan 0.000 0.451 302 T N 4.943 119.470 114.554 -0.043 0.000 2.780 302 T HA 0.281 4.631 4.350 -0.000 0.000 0.294 302 T C -0.941 173.748 174.700 -0.019 0.000 0.949 302 T CA 0.104 62.245 62.100 0.067 0.000 1.074 302 T CB 0.057 69.013 68.868 0.147 0.000 0.910 302 T HN 0.400 nan 8.240 nan 0.000 0.501 303 Y N 3.598 123.985 120.300 0.144 0.000 2.595 303 Y HA 0.217 4.767 4.550 -0.000 0.000 0.336 303 Y C 0.751 176.740 175.900 0.149 0.000 0.996 303 Y CA -0.905 57.299 58.100 0.174 0.000 1.260 303 Y CB 0.199 38.769 38.460 0.183 0.000 1.108 303 Y HN 0.773 nan 8.280 nan 0.000 0.509 304 Y N 1.822 122.231 120.300 0.182 0.000 2.337 304 Y HA 0.305 4.854 4.550 -0.000 0.000 0.293 304 Y C 0.790 176.847 175.900 0.262 0.000 1.123 304 Y CA 0.518 58.701 58.100 0.140 0.000 1.201 304 Y CB 0.362 38.914 38.460 0.154 0.000 1.011 304 Y HN 0.439 nan 8.280 nan 0.000 0.545 305 G N -0.760 108.155 108.800 0.192 0.000 2.740 305 G HA2 0.326 4.286 3.960 -0.000 0.000 0.296 305 G HA3 0.326 4.286 3.960 -0.000 0.000 0.296 305 G C -2.433 172.622 174.900 0.259 0.000 1.439 305 G CA -0.696 44.457 45.100 0.088 0.000 1.066 305 G HN 0.139 nan 8.290 nan 0.000 0.527 306 Y N 3.090 123.425 120.300 0.058 0.000 2.367 306 Y HA 0.583 5.133 4.550 -0.000 0.000 0.342 306 Y C -0.464 175.431 175.900 -0.008 0.000 0.979 306 Y CA -0.565 57.595 58.100 0.099 0.000 1.161 306 Y CB 1.294 39.749 38.460 -0.008 0.000 1.155 306 Y HN 0.356 nan 8.280 nan 0.000 0.503 307 V N 8.467 128.015 119.914 -0.610 0.000 2.555 307 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 307 V C -0.786 174.998 176.094 -0.516 0.000 1.038 307 V CA -0.867 61.107 62.300 -0.544 0.000 0.887 307 V CB 1.104 32.697 31.823 -0.384 0.000 0.991 307 V HN 0.645 nan 8.190 nan 0.000 0.434 308 F N 2.369 122.051 119.950 -0.448 0.000 2.591 308 F HA 0.933 5.460 4.527 -0.000 0.000 0.309 308 F C -0.595 175.076 175.800 -0.216 0.000 1.098 308 F CA -1.315 56.500 58.000 -0.307 0.000 0.937 308 F CB 1.572 40.460 39.000 -0.186 0.000 1.250 308 F HN 0.305 nan 8.300 nan 0.000 0.447 309 R N 2.289 122.755 120.500 -0.057 0.000 2.720 309 R HA 0.784 5.123 4.340 -0.000 0.000 0.272 309 R C -1.383 174.925 176.300 0.014 0.000 0.991 309 R CA -0.771 55.246 56.100 -0.139 0.000 1.010 309 R CB 1.577 31.789 30.300 -0.146 0.000 1.141 309 R HN 0.764 nan 8.270 nan 0.000 0.494 310 F N -1.928 117.908 119.950 -0.191 0.000 2.599 310 F HA 0.480 5.007 4.527 -0.000 0.000 0.311 310 F C -0.973 174.829 175.800 0.004 0.000 1.076 310 F CA -1.453 56.464 58.000 -0.138 0.000 0.937 310 F CB 1.579 40.293 39.000 -0.476 0.000 1.282 310 F HN 0.255 nan 8.300 nan 0.000 0.460 311 D N 3.391 123.970 120.400 0.298 0.000 2.380 311 D HA 0.370 5.010 4.640 -0.000 0.000 0.230 311 D C -1.955 174.597 176.300 0.420 0.000 1.154 311 D CA -2.519 51.612 54.000 0.220 0.000 0.859 311 D CB 1.700 42.647 40.800 0.244 0.000 1.045 311 D HN 0.244 nan 8.370 nan 0.000 0.495 312 P HA -0.165 nan 4.420 nan 0.000 0.217 312 P C 1.556 178.979 177.300 0.205 0.000 1.148 312 P CA 0.553 63.845 63.100 0.320 0.000 0.828 312 P CB 0.402 32.178 31.700 0.128 0.000 0.783 313 V N -0.125 119.870 119.914 0.136 0.000 2.490 313 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 313 V C 1.870 178.000 176.094 0.060 0.000 1.061 313 V CA 1.808 64.153 62.300 0.074 0.000 1.064 313 V CB -0.968 30.890 31.823 0.058 0.000 0.670 313 V HN 0.228 nan 8.190 nan 0.000 0.461 314 K N -1.468 119.012 120.400 0.133 0.000 2.374 314 K HA 0.196 4.516 4.320 -0.000 0.000 0.196 314 K C 0.085 176.568 176.600 -0.194 0.000 1.023 314 K CA 0.182 56.477 56.287 0.013 0.000 1.103 314 K CB 0.301 32.833 32.500 0.053 0.000 0.848 314 K HN 0.383 nan 8.250 nan 0.000 0.528 315 F N 0.662 120.579 119.950 -0.055 0.000 2.739 315 F HA 0.248 4.775 4.527 -0.000 0.000 0.345 315 F C 0.915 176.030 175.800 -1.142 0.000 1.373 315 F CA -0.710 57.059 58.000 -0.386 0.000 1.160 315 F CB 1.092 40.097 39.000 0.010 0.000 1.137 315 F HN 0.097 nan 8.300 nan 0.000 0.524 316 G N 0.310 108.424 108.800 -1.144 0.000 2.269 316 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.277 316 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.277 316 G C 1.362 176.054 174.900 -0.346 0.000 1.008 316 G CA 0.554 45.122 45.100 -0.887 0.000 0.774 316 G HN 1.421 nan 8.290 nan 0.000 0.511 317 G N -1.771 106.935 108.800 -0.157 0.000 2.155 317 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 317 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 317 G C 0.525 175.455 174.900 0.051 0.000 0.983 317 G CA 0.541 45.636 45.100 -0.009 0.000 0.676 317 G HN 1.309 nan 8.290 nan 0.000 0.528 318 L N 0.841 122.094 121.223 0.049 0.000 2.483 318 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 318 L C 1.028 178.082 176.870 0.307 0.000 1.220 318 L CA -0.212 54.703 54.840 0.124 0.000 0.833 318 L CB 0.276 42.362 42.059 0.045 0.000 1.102 318 L HN 0.545 nan 8.230 nan 0.000 0.490 319 N N 1.469 120.321 118.700 0.253 0.000 2.485 319 N HA 0.340 5.079 4.740 -0.000 0.000 0.280 319 N C 0.411 176.157 175.510 0.394 0.000 1.205 319 N CA -0.245 52.980 53.050 0.292 0.000 0.959 319 N CB 1.011 39.584 38.487 0.143 0.000 1.206 319 N HN 0.561 nan 8.380 nan 0.000 0.545 320 A N 0.034 123.071 122.820 0.363 0.000 1.940 320 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 320 A C 1.469 179.148 177.584 0.158 0.000 1.176 320 A CA 1.651 53.863 52.037 0.291 0.000 0.631 320 A CB -0.808 18.264 19.000 0.119 0.000 0.814 320 A HN 0.782 nan 8.150 nan 0.000 0.446 321 D N -0.425 120.046 120.400 0.119 0.000 2.092 321 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 321 D C 2.173 178.532 176.300 0.098 0.000 0.994 321 D CA 1.828 55.881 54.000 0.087 0.000 0.828 321 D CB -0.361 40.477 40.800 0.065 0.000 0.963 321 D HN 0.658 nan 8.370 nan 0.000 0.450 322 Q N -0.547 119.319 119.800 0.109 0.000 2.119 322 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 322 Q C 2.075 178.130 176.000 0.093 0.000 0.972 322 Q CA 0.670 56.526 55.803 0.088 0.000 0.847 322 Q CB -0.174 28.612 28.738 0.081 0.000 0.903 322 Q HN 0.202 nan 8.270 nan 0.000 0.433 323 F N 0.659 120.564 119.950 -0.077 0.000 2.069 323 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 323 F C 2.128 177.866 175.800 -0.104 0.000 1.113 323 F CA 1.026 58.917 58.000 -0.182 0.000 1.214 323 F CB -0.509 38.204 39.000 -0.479 0.000 0.978 323 F HN 0.097 nan 8.300 nan 0.000 0.474 324 C N 0.199 119.635 119.300 0.226 0.000 2.425 324 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 324 C C 3.067 178.116 174.990 0.099 0.000 1.280 324 C CA 1.444 60.539 59.018 0.129 0.000 1.744 324 C CB -1.726 26.047 27.740 0.055 0.000 1.989 324 C HN 0.659 nan 8.230 nan 0.000 0.491 325 E N 0.653 120.903 120.200 0.083 0.000 2.085 325 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 325 E C 1.625 178.255 176.600 0.050 0.000 0.994 325 E CA 1.664 58.101 56.400 0.062 0.000 0.801 325 E CB -0.678 29.054 29.700 0.053 0.000 0.743 325 E HN 0.730 nan 8.360 nan 0.000 0.453 326 I N 0.083 120.674 120.570 0.035 0.000 2.179 326 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 326 I C 2.826 178.958 176.117 0.026 0.000 1.088 326 I CA 1.255 62.558 61.300 0.005 0.000 1.357 326 I CB -0.250 37.712 38.000 -0.063 0.000 1.051 326 I HN 0.236 nan 8.210 nan 0.000 0.409 327 L N 0.175 121.435 121.223 0.062 0.000 2.012 327 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 327 L C 2.814 179.720 176.870 0.060 0.000 1.073 327 L CA 1.470 56.361 54.840 0.086 0.000 0.748 327 L CB -0.652 41.501 42.059 0.157 0.000 0.891 327 L HN 0.200 nan 8.230 nan 0.000 0.431 328 R N 0.166 120.699 120.500 0.056 0.000 2.096 328 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 328 R C 2.232 178.569 176.300 0.062 0.000 1.127 328 R CA 1.747 57.876 56.100 0.048 0.000 0.968 328 R CB -0.270 30.066 30.300 0.060 0.000 0.861 328 R HN 0.443 nan 8.270 nan 0.000 0.440 329 E N 1.330 121.563 120.200 0.056 0.000 2.107 329 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 329 E C 2.058 178.694 176.600 0.060 0.000 0.982 329 E CA 2.030 58.463 56.400 0.054 0.000 0.809 329 E CB -0.233 29.491 29.700 0.040 0.000 0.756 329 E HN 0.191 nan 8.360 nan 0.000 0.459 330 K N 1.139 121.574 120.400 0.058 0.000 2.103 330 K HA 0.150 4.470 4.320 -0.000 0.000 0.204 330 K C 2.174 178.837 176.600 0.106 0.000 1.052 330 K CA 1.428 57.753 56.287 0.064 0.000 0.945 330 K CB -0.765 31.765 32.500 0.050 0.000 0.722 330 K HN 0.289 nan 8.250 nan 0.000 0.443 331 L N -0.608 120.692 121.223 0.127 0.000 2.554 331 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 331 L C 0.571 177.635 176.870 0.324 0.000 1.104 331 L CA 0.100 55.081 54.840 0.234 0.000 0.866 331 L CB -0.062 42.068 42.059 0.118 0.000 1.047 331 L HN 0.549 nan 8.230 nan 0.000 0.468 332 N N 1.759 120.573 118.700 0.190 0.000 2.727 332 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 332 N C -0.362 175.279 175.510 0.218 0.000 1.040 332 N CA 0.727 53.891 53.050 0.189 0.000 0.712 332 N CB -0.726 37.873 38.487 0.186 0.000 0.912 332 N HN 0.506 nan 8.380 nan 0.000 0.545 333 M N -1.386 118.266 119.600 0.086 0.000 2.530 333 M HA 0.724 5.203 4.480 -0.000 0.000 0.307 333 M C 0.848 177.212 176.300 0.107 0.000 1.161 333 M CA -0.569 54.741 55.300 0.016 0.000 0.903 333 M CB 1.740 34.130 32.600 -0.350 0.000 1.711 333 M HN 0.025 nan 8.290 nan 0.000 0.451 334 G N 0.926 109.858 108.800 0.219 0.000 2.614 334 G HA2 0.286 4.245 3.960 -0.000 0.000 0.239 334 G HA3 0.286 4.245 3.960 -0.000 0.000 0.239 334 G C 0.394 175.450 174.900 0.260 0.000 1.240 334 G CA -0.350 44.914 45.100 0.274 0.000 0.842 334 G HN 0.896 nan 8.290 nan 0.000 0.584 335 T N 1.027 115.696 114.554 0.191 0.000 2.833 335 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 335 T C 1.857 176.658 174.700 0.167 0.000 1.054 335 T CA 1.487 63.679 62.100 0.152 0.000 1.135 335 T CB -0.244 68.682 68.868 0.097 0.000 0.869 335 T HN 0.443 nan 8.240 nan 0.000 0.466 336 F N 0.752 120.682 119.950 -0.033 0.000 2.269 336 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 336 F C 1.463 177.099 175.800 -0.273 0.000 1.082 336 F CA 0.907 58.769 58.000 -0.230 0.000 1.360 336 F CB -0.210 38.521 39.000 -0.448 0.000 1.041 336 F HN 0.195 nan 8.300 nan 0.000 0.512 337 Y N -0.335 120.106 120.300 0.234 0.000 2.510 337 Y HA 0.299 4.849 4.550 -0.000 0.000 0.273 337 Y C 0.201 176.091 175.900 -0.017 0.000 1.119 337 Y CA 0.207 58.378 58.100 0.118 0.000 1.286 337 Y CB 0.397 38.924 38.460 0.112 0.000 1.061 337 Y HN -0.062 nan 8.280 nan 0.000 0.542 338 L N 1.402 122.684 121.223 0.099 0.000 2.491 338 L HA 0.450 4.790 4.340 -0.000 0.000 0.267 338 L C -1.464 175.378 176.870 -0.046 0.000 0.971 338 L CA -0.516 54.282 54.840 -0.069 0.000 0.857 338 L CB 1.029 43.070 42.059 -0.030 0.000 1.226 338 L HN 0.325 nan 8.230 nan 0.000 0.408 339 H N 2.376 121.392 119.070 -0.090 0.000 2.950 339 H HA 0.677 5.233 4.556 -0.000 0.000 0.307 339 H C -3.157 172.088 175.328 -0.139 0.000 1.403 339 H CA -1.871 54.121 56.048 -0.092 0.000 1.145 339 H CB 1.082 30.789 29.762 -0.091 0.000 1.844 339 H HN 0.146 nan 8.280 nan 0.000 0.515 340 P HA 0.288 nan 4.420 nan 0.000 0.276 340 P C -2.590 174.762 177.300 0.086 0.000 1.252 340 P CA -1.428 61.653 63.100 -0.033 0.000 0.802 340 P CB 0.217 31.915 31.700 -0.005 0.000 1.035 341 P HA 0.064 nan 4.420 nan 0.000 0.272 341 P C -0.226 177.120 177.300 0.078 0.000 1.230 341 P CA 0.444 63.612 63.100 0.114 0.000 0.788 341 P CB -0.181 31.543 31.700 0.041 0.000 0.949 342 Y N 0.836 121.185 120.300 0.081 0.000 2.282 342 Y HA 0.343 4.893 4.550 -0.000 0.000 0.335 342 Y C 0.905 176.764 175.900 -0.068 0.000 1.335 342 Y CA -1.095 56.981 58.100 -0.039 0.000 1.529 342 Y CB -0.609 37.777 38.460 -0.123 0.000 1.429 342 Y HN 0.253 nan 8.280 nan 0.000 0.563 343 L N 1.949 123.113 121.223 -0.099 0.000 2.467 343 L HA 0.236 4.575 4.340 -0.000 0.000 0.270 343 L C -2.123 174.656 176.870 -0.153 0.000 1.205 343 L CA -1.483 53.284 54.840 -0.122 0.000 0.828 343 L CB 0.670 42.656 42.059 -0.122 0.000 1.101 343 L HN 0.553 nan 8.230 nan 0.000 0.479 344 P HA 0.008 nan 4.420 nan 0.000 0.270 344 P C 0.864 177.995 177.300 -0.283 0.000 1.223 344 P CA -0.397 62.583 63.100 -0.200 0.000 0.785 344 P CB 0.610 32.233 31.700 -0.128 0.000 0.923 345 V N 1.767 121.495 119.914 -0.311 0.000 2.252 345 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 345 V C 2.330 178.153 176.094 -0.452 0.000 1.056 345 V CA 2.449 64.497 62.300 -0.421 0.000 1.022 345 V CB -1.772 29.735 31.823 -0.528 0.000 0.641 345 V HN 0.759 nan 8.190 nan 0.000 0.445 346 H N 0.622 119.319 119.070 -0.621 0.000 2.489 346 H HA -0.111 4.445 4.556 -0.000 0.000 0.295 346 H C 1.610 177.030 175.328 0.153 0.000 1.082 346 H CA 1.409 57.382 56.048 -0.124 0.000 1.295 346 H CB -0.310 29.420 29.762 -0.054 0.000 1.380 346 H HN 0.367 nan 8.280 nan 0.000 0.548 347 K N 0.599 120.735 120.400 -0.441 0.000 2.354 347 K HA 0.038 4.358 4.320 -0.000 0.000 0.194 347 K C 0.523 177.087 176.600 -0.059 0.000 1.038 347 K CA -0.359 55.790 56.287 -0.231 0.000 1.052 347 K CB 0.241 32.515 32.500 -0.376 0.000 0.861 347 K HN 0.178 nan 8.250 nan 0.000 0.535 348 N N 2.962 121.631 118.700 -0.051 0.000 2.452 348 N HA 0.014 4.754 4.740 -0.000 0.000 0.266 348 N C -2.026 173.536 175.510 0.087 0.000 1.209 348 N CA -1.366 51.681 53.050 -0.005 0.000 0.929 348 N CB 1.445 39.909 38.487 -0.038 0.000 1.063 348 N HN -0.163 nan 8.380 nan 0.000 0.472 349 P HA -0.106 nan 4.420 nan 0.000 0.218 349 P C 1.288 178.604 177.300 0.026 0.000 1.146 349 P CA 1.052 64.190 63.100 0.062 0.000 0.813 349 P CB 0.280 31.997 31.700 0.028 0.000 0.778 350 L N -3.159 118.071 121.223 0.011 0.000 2.291 350 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 350 L C 1.085 177.956 176.870 0.002 0.000 1.120 350 L CA 0.257 55.088 54.840 -0.015 0.000 0.799 350 L CB -0.583 41.460 42.059 -0.026 0.000 0.925 350 L HN -0.024 nan 8.230 nan 0.000 0.446 351 F N 1.995 121.876 119.950 -0.115 0.000 2.375 351 F HA 0.243 4.770 4.527 -0.000 0.000 0.362 351 F C 0.307 175.919 175.800 -0.313 0.000 1.129 351 F CA -1.564 56.339 58.000 -0.161 0.000 1.154 351 F CB 0.328 39.279 39.000 -0.082 0.000 1.205 351 F HN 0.068 nan 8.300 nan 0.000 0.513 352 C N 5.835 124.553 119.300 -0.971 0.000 3.421 352 C HA 0.366 4.826 4.460 -0.000 0.000 0.194 352 C C -1.697 172.373 174.990 -1.533 0.000 1.418 352 C CA -1.490 56.520 59.018 -1.680 0.000 1.226 352 C CB -0.389 26.709 27.740 -1.070 0.000 1.875 352 C HN 0.554 nan 8.230 nan 0.000 0.561 353 P HA -0.159 nan 4.420 nan 0.000 0.216 353 P C 1.467 178.660 177.300 -0.178 0.000 1.153 353 P CA 2.011 64.824 63.100 -0.478 0.000 0.858 353 P CB -0.117 31.259 31.700 -0.541 0.000 0.789 354 W N 0.047 121.353 121.300 0.009 0.000 2.538 354 W HA -0.079 4.581 4.660 -0.000 0.000 0.254 354 W C 1.316 177.853 176.519 0.031 0.000 1.249 354 W CA 1.423 58.812 57.345 0.073 0.000 1.253 354 W CB -2.451 27.077 29.460 0.113 0.000 1.130 354 W HN -0.026 nan 8.180 nan 0.000 0.618 355 T N -0.925 113.413 114.554 -0.359 0.000 3.148 355 T HA 0.062 4.412 4.350 -0.000 0.000 0.253 355 T C 0.491 175.110 174.700 -0.136 0.000 1.134 355 T CA 0.318 62.297 62.100 -0.202 0.000 1.051 355 T CB -0.456 68.215 68.868 -0.329 0.000 0.959 355 T HN 0.402 nan 8.240 nan 0.000 0.525 356 K N -0.149 120.165 120.400 -0.145 0.000 2.468 356 K HA 0.481 4.801 4.320 -0.000 0.000 0.252 356 K C -0.291 176.254 176.600 -0.091 0.000 0.932 356 K CA -0.978 55.217 56.287 -0.153 0.000 0.794 356 K CB 1.374 33.706 32.500 -0.280 0.000 1.241 356 K HN -0.348 nan 8.250 nan 0.000 0.428 357 N N 1.613 120.280 118.700 -0.055 0.000 2.364 357 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 357 N C 1.351 176.854 175.510 -0.012 0.000 1.022 357 N CA 0.623 53.667 53.050 -0.010 0.000 0.883 357 N CB -0.194 38.289 38.487 -0.006 0.000 0.965 357 N HN 0.630 nan 8.380 nan 0.000 0.438 358 R N 0.334 120.783 120.500 -0.085 0.000 2.127 358 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 358 R C -0.220 176.111 176.300 0.052 0.000 1.134 358 R CA 0.843 56.899 56.100 -0.074 0.000 0.975 358 R CB -0.101 30.085 30.300 -0.190 0.000 0.865 358 R HN 0.068 nan 8.270 nan 0.000 0.447 359 Y N 0.896 121.184 120.300 -0.020 0.000 2.299 359 Y HA 0.231 4.781 4.550 -0.000 0.000 0.326 359 Y C 0.609 176.515 175.900 0.010 0.000 1.164 359 Y CA -1.245 56.848 58.100 -0.011 0.000 1.234 359 Y CB 0.604 39.048 38.460 -0.028 0.000 1.219 359 Y HN -0.096 nan 8.280 nan 0.000 0.497 360 L N 3.380 124.707 121.223 0.174 0.000 2.485 360 L HA -0.002 4.338 4.340 -0.000 0.000 0.275 360 L C 1.771 178.699 176.870 0.097 0.000 1.207 360 L CA 0.061 54.960 54.840 0.098 0.000 0.855 360 L CB 0.505 42.598 42.059 0.057 0.000 1.114 360 L HN 0.715 nan 8.230 nan 0.000 0.485 361 K N 1.480 121.926 120.400 0.076 0.000 2.103 361 K HA -0.195 4.124 4.320 -0.000 0.000 0.207 361 K C 1.968 178.595 176.600 0.046 0.000 1.048 361 K CA 1.842 58.172 56.287 0.071 0.000 0.930 361 K CB 0.059 32.590 32.500 0.050 0.000 0.716 361 K HN 0.821 nan 8.250 nan 0.000 0.444 362 S N 0.051 115.766 115.700 0.025 0.000 2.447 362 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 362 S C 1.919 176.509 174.600 -0.017 0.000 1.006 362 S CA 1.088 59.284 58.200 -0.006 0.000 0.957 362 S CB -0.260 62.938 63.200 -0.004 0.000 0.773 362 S HN 0.310 nan 8.310 nan 0.000 0.507 363 V N 0.240 120.167 119.914 0.023 0.000 3.523 363 V HA 0.284 4.403 4.120 -0.000 0.000 0.255 363 V C 2.336 178.530 176.094 0.168 0.000 1.226 363 V CA 0.361 62.692 62.300 0.051 0.000 1.092 363 V CB -0.669 31.158 31.823 0.007 0.000 0.817 363 V HN 0.566 nan 8.190 nan 0.000 0.458 364 R N 0.552 121.152 120.500 0.165 0.000 2.193 364 R HA 0.096 4.436 4.340 -0.000 0.000 0.213 364 R C 1.106 177.696 176.300 0.483 0.000 1.055 364 R CA 0.340 56.622 56.100 0.304 0.000 0.995 364 R CB -0.284 30.181 30.300 0.275 0.000 0.893 364 R HN 0.385 nan 8.270 nan 0.000 0.459 365 K N 0.263 120.774 120.400 0.183 0.000 1.867 365 K HA -0.241 4.079 4.320 -0.000 0.000 0.140 365 K C 0.304 177.003 176.600 0.166 0.000 1.408 365 K CA 2.268 58.546 56.287 -0.016 0.000 0.461 365 K CB -1.893 30.273 32.500 -0.555 0.000 0.594 365 K HN 0.586 nan 8.250 nan 0.000 0.888 366 T N -2.827 111.808 114.554 0.136 0.000 2.865 366 T HA 0.443 4.793 4.350 -0.000 0.000 0.294 366 T C 1.076 175.662 174.700 -0.189 0.000 1.119 366 T CA 0.031 62.149 62.100 0.030 0.000 1.007 366 T CB 2.647 71.479 68.868 -0.059 0.000 1.225 366 T HN 0.550 nan 8.240 nan 0.000 0.515 367 E N 0.682 120.294 120.200 -0.980 0.000 2.058 367 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 367 E C 2.243 178.540 176.600 -0.506 0.000 0.997 367 E CA 1.648 57.091 56.400 -1.595 0.000 0.801 367 E CB -0.602 28.235 29.700 -1.439 0.000 0.746 367 E HN 0.763 nan 8.360 nan 0.000 0.450 368 A N 0.284 122.935 122.820 -0.281 0.000 1.940 368 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 368 A C 2.085 179.648 177.584 -0.036 0.000 1.176 368 A CA 1.627 53.595 52.037 -0.114 0.000 0.631 368 A CB -1.053 17.893 19.000 -0.090 0.000 0.814 368 A HN 0.649 nan 8.150 nan 0.000 0.446 369 Y N -1.025 119.178 120.300 -0.161 0.000 2.128 369 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 369 Y C 2.041 177.836 175.900 -0.175 0.000 1.154 369 Y CA 2.086 60.050 58.100 -0.227 0.000 1.149 369 Y CB -0.457 37.777 38.460 -0.375 0.000 0.976 369 Y HN 0.459 nan 8.280 nan 0.000 0.505 370 W N 0.137 121.647 121.300 0.351 0.000 2.444 370 W HA -0.017 4.643 4.660 -0.000 0.000 0.308 370 W C 2.413 179.109 176.519 0.295 0.000 1.183 370 W CA 0.604 58.214 57.345 0.441 0.000 1.340 370 W CB -0.394 29.552 29.460 0.811 0.000 1.138 370 W HN -0.281 nan 8.180 nan 0.000 0.510 371 R N 0.264 121.011 120.500 0.412 0.000 2.159 371 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 371 R C 2.102 178.496 176.300 0.158 0.000 1.131 371 R CA 1.396 57.649 56.100 0.255 0.000 0.982 371 R CB -1.610 28.765 30.300 0.126 0.000 0.868 371 R HN 0.338 nan 8.270 nan 0.000 0.453 372 G N 0.464 109.305 108.800 0.068 0.000 2.848 372 G HA2 0.046 4.006 3.960 -0.000 0.000 0.208 372 G HA3 0.046 4.006 3.960 -0.000 0.000 0.208 372 G C 0.697 175.566 174.900 -0.052 0.000 1.152 372 G CA -0.255 44.834 45.100 -0.019 0.000 0.789 372 G HN 0.095 nan 8.290 nan 0.000 0.531 373 L N 0.079 121.300 121.223 -0.003 0.000 2.467 373 L HA 0.241 4.581 4.340 -0.000 0.000 0.270 373 L C 0.287 177.040 176.870 -0.195 0.000 1.205 373 L CA -0.260 54.472 54.840 -0.180 0.000 0.828 373 L CB 0.720 42.692 42.059 -0.146 0.000 1.101 373 L HN 0.184 nan 8.230 nan 0.000 0.479 374 H N 2.245 120.898 119.070 -0.694 0.000 2.800 374 H HA 0.299 4.855 4.556 -0.000 0.000 0.322 374 H C -1.701 173.108 175.328 -0.865 0.000 0.979 374 H CA -0.630 55.099 56.048 -0.532 0.000 1.277 374 H CB 0.907 30.477 29.762 -0.319 0.000 1.484 374 H HN 0.455 nan 8.280 nan 0.000 0.512 375 Y N 6.105 126.282 120.300 -0.205 0.000 2.628 375 Y HA 0.214 4.764 4.550 -0.000 0.000 0.354 375 Y C -2.087 173.703 175.900 -0.183 0.000 1.061 375 Y CA -2.349 55.591 58.100 -0.267 0.000 1.251 375 Y CB 1.229 39.556 38.460 -0.222 0.000 1.098 375 Y HN 0.614 nan 8.280 nan 0.000 0.626 376 P HA -0.280 nan 4.420 nan 0.000 0.214 376 P C 1.745 179.041 177.300 -0.006 0.000 1.172 376 P CA 1.975 65.019 63.100 -0.093 0.000 0.925 376 P CB 0.402 32.019 31.700 -0.138 0.000 0.793 377 V N 0.295 120.210 119.914 0.001 0.000 2.233 377 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 377 V C 2.619 178.712 176.094 -0.003 0.000 1.050 377 V CA 2.761 65.079 62.300 0.029 0.000 1.010 377 V CB -1.966 29.893 31.823 0.060 0.000 0.637 377 V HN 0.291 nan 8.190 nan 0.000 0.444 378 S N -0.087 115.610 115.700 -0.005 0.000 2.399 378 S HA -0.262 4.208 4.470 -0.000 0.000 0.231 378 S C 1.792 176.350 174.600 -0.069 0.000 1.022 378 S CA 1.835 59.994 58.200 -0.069 0.000 0.983 378 S CB -0.508 62.675 63.200 -0.029 0.000 0.803 378 S HN 0.729 nan 8.310 nan 0.000 0.480 379 E N 1.149 121.352 120.200 0.005 0.000 2.072 379 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 379 E C 2.773 179.347 176.600 -0.043 0.000 0.982 379 E CA 1.164 57.561 56.400 -0.005 0.000 0.803 379 E CB -0.328 29.410 29.700 0.062 0.000 0.755 379 E HN 0.737 nan 8.360 nan 0.000 0.453 380 R N 0.858 121.335 120.500 -0.039 0.000 2.235 380 R HA 0.184 4.524 4.340 -0.000 0.000 0.213 380 R C 2.129 178.370 176.300 -0.098 0.000 1.059 380 R CA 1.214 57.281 56.100 -0.054 0.000 0.997 380 R CB -1.130 29.151 30.300 -0.032 0.000 0.884 380 R HN 0.238 nan 8.270 nan 0.000 0.462 381 A N 1.539 124.267 122.820 -0.153 0.000 1.892 381 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 381 A C 2.577 180.043 177.584 -0.197 0.000 1.188 381 A CA 2.355 54.230 52.037 -0.270 0.000 0.631 381 A CB -0.734 17.853 19.000 -0.689 0.000 0.822 381 A HN 0.870 nan 8.150 nan 0.000 0.447 382 S N -0.991 114.618 115.700 -0.152 0.000 2.474 382 S HA 0.116 4.586 4.470 -0.000 0.000 0.235 382 S C 1.655 176.212 174.600 -0.073 0.000 0.997 382 S CA 1.088 59.230 58.200 -0.097 0.000 0.949 382 S CB -0.506 62.650 63.200 -0.073 0.000 0.766 382 S HN 0.702 nan 8.310 nan 0.000 0.517 383 G N 1.174 109.921 108.800 -0.087 0.000 2.887 383 G HA2 0.196 4.156 3.960 -0.000 0.000 0.211 383 G HA3 0.196 4.156 3.960 -0.000 0.000 0.211 383 G C 0.911 175.728 174.900 -0.139 0.000 1.152 383 G CA 0.154 45.215 45.100 -0.066 0.000 0.769 383 G HN 0.729 nan 8.290 nan 0.000 0.541 384 Q N -0.065 119.567 119.800 -0.280 0.000 2.074 384 Q HA 0.353 4.693 4.340 -0.000 0.000 0.265 384 Q C -0.584 175.051 176.000 -0.608 0.000 0.855 384 Q CA -0.412 54.950 55.803 -0.736 0.000 1.083 384 Q CB 0.520 28.795 28.738 -0.772 0.000 1.260 384 Q HN 0.237 nan 8.270 nan 0.000 0.427 385 S N -0.253 115.277 115.700 -0.284 0.000 2.556 385 S HA 0.784 5.254 4.470 -0.000 0.000 0.271 385 S C -0.917 173.434 174.600 -0.416 0.000 1.135 385 S CA -0.727 57.287 58.200 -0.309 0.000 0.858 385 S CB 1.417 64.549 63.200 -0.112 0.000 1.114 385 S HN 0.187 nan 8.310 nan 0.000 0.468 386 I N 1.578 121.684 120.570 -0.773 0.000 2.441 386 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 386 I C -0.735 174.955 176.117 -0.711 0.000 0.994 386 I CA -0.694 60.110 61.300 -0.826 0.000 1.144 386 I CB 1.980 39.203 38.000 -1.294 0.000 1.314 386 I HN 0.606 nan 8.210 nan 0.000 0.445 387 V N 6.385 125.934 119.914 -0.608 0.000 2.417 387 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 387 V C -0.237 175.579 176.094 -0.463 0.000 1.024 387 V CA -0.616 61.308 62.300 -0.626 0.000 0.861 387 V CB 1.640 32.959 31.823 -0.839 0.000 0.985 387 V HN 0.357 nan 8.190 nan 0.000 0.436 388 I N 3.762 124.216 120.570 -0.193 0.000 2.339 388 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 388 I C 0.209 176.304 176.117 -0.037 0.000 0.994 388 I CA -0.534 60.739 61.300 -0.046 0.000 1.191 388 I CB 1.021 39.099 38.000 0.131 0.000 1.343 388 I HN 0.722 nan 8.210 nan 0.000 0.458 389 H N 5.381 124.384 119.070 -0.112 0.000 2.897 389 H HA -0.014 4.542 4.556 -0.000 0.000 0.347 389 H C 1.433 176.716 175.328 -0.076 0.000 1.068 389 H CA 0.546 56.501 56.048 -0.155 0.000 1.426 389 H CB 0.635 30.336 29.762 -0.101 0.000 1.410 389 H HN 0.645 nan 8.280 nan 0.000 0.597 390 H N 2.892 121.544 119.070 -0.697 0.000 2.460 390 H HA -0.148 4.408 4.556 0.000 0.000 0.297 390 H C 1.916 177.134 175.328 -0.183 0.000 1.103 390 H CA 1.484 57.302 56.048 -0.383 0.000 1.292 390 H CB -0.449 29.056 29.762 -0.429 0.000 1.376 390 H HN 0.584 nan 8.280 nan 0.000 0.531 391 A N 1.970 124.568 122.820 -0.369 0.000 1.940 391 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 391 A C 2.274 179.965 177.584 0.179 0.000 1.176 391 A CA 1.793 53.901 52.037 0.118 0.000 0.631 391 A CB -0.589 18.706 19.000 0.491 0.000 0.814 391 A HN 0.456 nan 8.150 nan 0.000 0.446 392 I N 0.002 120.665 120.570 0.155 0.000 2.361 392 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 392 I C 2.019 178.210 176.117 0.123 0.000 1.133 392 I CA 1.076 62.448 61.300 0.120 0.000 1.413 392 I CB -1.296 36.701 38.000 -0.005 0.000 1.073 392 I HN 0.303 nan 8.210 nan 0.000 0.424 393 L N 0.035 121.304 121.223 0.077 0.000 2.622 393 L HA -0.065 4.275 4.340 -0.000 0.000 0.233 393 L C 1.956 178.874 176.870 0.079 0.000 1.156 393 L CA 0.373 55.239 54.840 0.043 0.000 0.866 393 L CB -0.317 41.750 42.059 0.013 0.000 0.980 393 L HN 0.226 nan 8.230 nan 0.000 0.448 394 L N -0.571 120.730 121.223 0.129 0.000 2.640 394 L HA 0.261 4.601 4.340 -0.000 0.000 0.230 394 L C 1.371 178.315 176.870 0.122 0.000 1.123 394 L CA -0.437 54.484 54.840 0.135 0.000 0.900 394 L CB 0.018 42.192 42.059 0.193 0.000 1.146 394 L HN 0.155 nan 8.230 nan 0.000 0.484 395 A N 0.208 123.123 122.820 0.158 0.000 2.346 395 A HA 0.272 4.592 4.320 -0.000 0.000 0.252 395 A C 0.072 177.670 177.584 0.023 0.000 1.089 395 A CA -0.377 51.756 52.037 0.160 0.000 0.797 395 A CB 0.236 19.460 19.000 0.374 0.000 1.047 395 A HN 0.170 nan 8.150 nan 0.000 0.494 396 E N 1.033 121.156 120.200 -0.128 0.000 2.392 396 E HA 0.214 4.564 4.350 -0.000 0.000 0.264 396 E C -1.831 174.648 176.600 -0.201 0.000 1.024 396 E CA -1.137 55.109 56.400 -0.258 0.000 0.903 396 E CB 0.103 29.493 29.700 -0.517 0.000 0.963 396 E HN 0.350 nan 8.360 nan 0.000 0.432 397 P HA -0.251 nan 4.420 nan 0.000 0.216 397 P C 1.127 178.310 177.300 -0.195 0.000 1.153 397 P CA 1.779 64.666 63.100 -0.355 0.000 0.858 397 P CB 0.124 31.512 31.700 -0.522 0.000 0.789 398 S N -1.749 113.858 115.700 -0.154 0.000 2.383 398 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 398 S C 1.838 176.519 174.600 0.135 0.000 1.030 398 S CA 1.319 59.505 58.200 -0.023 0.000 1.002 398 S CB -1.770 61.401 63.200 -0.049 0.000 0.829 398 S HN 0.358 nan 8.310 nan 0.000 0.467 399 H N 1.027 120.084 119.070 -0.020 0.000 2.363 399 H HA 0.184 4.740 4.556 -0.000 0.000 0.301 399 H C 2.090 177.566 175.328 0.248 0.000 1.074 399 H CA 1.172 57.214 56.048 -0.010 0.000 1.354 399 H CB -0.125 29.522 29.762 -0.191 0.000 1.397 399 H HN 0.292 nan 8.280 nan 0.000 0.516 400 L N 0.201 121.652 121.223 0.381 0.000 2.131 400 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 400 L C 2.488 179.562 176.870 0.341 0.000 1.092 400 L CA 0.588 55.653 54.840 0.375 0.000 0.759 400 L CB -0.275 41.971 42.059 0.310 0.000 0.903 400 L HN 0.196 nan 8.230 nan 0.000 0.435 401 S N 0.221 116.126 115.700 0.342 0.000 2.402 401 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 401 S C 1.967 176.680 174.600 0.188 0.000 1.030 401 S CA 1.172 59.540 58.200 0.280 0.000 1.003 401 S CB -0.292 63.054 63.200 0.244 0.000 0.813 401 S HN 0.322 nan 8.310 nan 0.000 0.477 402 L N 1.134 122.490 121.223 0.221 0.000 2.042 402 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 402 L C 2.504 179.478 176.870 0.174 0.000 1.076 402 L CA 0.929 55.888 54.840 0.198 0.000 0.749 402 L CB -0.618 41.597 42.059 0.261 0.000 0.893 402 L HN 0.341 nan 8.230 nan 0.000 0.432 403 L N -0.022 121.313 121.223 0.187 0.000 2.017 403 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 403 L C 2.539 179.435 176.870 0.042 0.000 1.073 403 L CA 1.899 56.795 54.840 0.093 0.000 0.745 403 L CB -0.497 41.585 42.059 0.038 0.000 0.894 403 L HN 0.071 nan 8.230 nan 0.000 0.432 404 V N 0.715 120.636 119.914 0.011 0.000 2.343 404 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 404 V C 2.403 178.499 176.094 0.004 0.000 1.051 404 V CA 1.987 64.257 62.300 -0.051 0.000 1.036 404 V CB -0.762 31.000 31.823 -0.101 0.000 0.654 404 V HN 0.425 nan 8.190 nan 0.000 0.451 405 D N 0.554 120.978 120.400 0.040 0.000 2.117 405 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 405 D C 2.264 178.592 176.300 0.047 0.000 0.987 405 D CA 1.646 55.672 54.000 0.043 0.000 0.829 405 D CB -0.337 40.496 40.800 0.055 0.000 0.961 405 D HN 0.451 nan 8.370 nan 0.000 0.460 406 A N 0.810 123.668 122.820 0.063 0.000 1.883 406 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 406 A C 2.557 180.186 177.584 0.075 0.000 1.186 406 A CA 1.368 53.444 52.037 0.064 0.000 0.624 406 A CB -0.782 18.269 19.000 0.084 0.000 0.822 406 A HN 0.155 nan 8.150 nan 0.000 0.444 407 V N -0.269 119.711 119.914 0.110 0.000 2.427 407 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 407 V C 3.015 179.220 176.094 0.185 0.000 1.051 407 V CA 1.802 64.215 62.300 0.189 0.000 1.048 407 V CB -1.181 30.732 31.823 0.151 0.000 0.666 407 V HN 0.622 nan 8.190 nan 0.000 0.456 408 A N 0.140 123.021 122.820 0.102 0.000 1.898 408 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 408 A C 2.346 179.959 177.584 0.047 0.000 1.181 408 A CA 2.182 54.267 52.037 0.080 0.000 0.620 408 A CB -0.781 18.242 19.000 0.037 0.000 0.819 408 A HN 0.591 nan 8.150 nan 0.000 0.442 409 E N -0.416 119.797 120.200 0.022 0.000 2.051 409 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 409 E C 1.965 178.524 176.600 -0.069 0.000 0.991 409 E CA 1.613 57.998 56.400 -0.026 0.000 0.799 409 E CB -0.936 28.748 29.700 -0.027 0.000 0.748 409 E HN 0.546 nan 8.360 nan 0.000 0.449 410 L N 0.309 121.509 121.223 -0.038 0.000 2.131 410 L HA 0.105 4.445 4.340 -0.000 0.000 0.210 410 L C 2.714 179.563 176.870 -0.036 0.000 1.092 410 L CA 2.127 56.912 54.840 -0.093 0.000 0.759 410 L CB -0.624 41.388 42.059 -0.080 0.000 0.903 410 L HN 0.367 nan 8.230 nan 0.000 0.435 411 A N -0.441 122.445 122.820 0.110 0.000 1.897 411 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 411 A C 2.623 180.129 177.584 -0.129 0.000 1.181 411 A CA 1.814 53.824 52.037 -0.046 0.000 0.620 411 A CB -0.790 18.261 19.000 0.085 0.000 0.821 411 A HN 0.422 nan 8.150 nan 0.000 0.443 412 R N -0.768 119.676 120.500 -0.093 0.000 2.120 412 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 412 R C 2.413 178.618 176.300 -0.159 0.000 1.123 412 R CA 2.472 58.512 56.100 -0.100 0.000 0.975 412 R CB -1.756 28.501 30.300 -0.072 0.000 0.866 412 R HN 0.750 nan 8.270 nan 0.000 0.446 413 K N -0.320 119.912 120.400 -0.279 0.000 2.148 413 K HA 0.078 4.398 4.320 -0.000 0.000 0.204 413 K C 1.762 178.093 176.600 -0.447 0.000 1.050 413 K CA 1.467 57.499 56.287 -0.425 0.000 0.942 413 K CB -0.492 31.615 32.500 -0.654 0.000 0.724 413 K HN 0.572 nan 8.250 nan 0.000 0.446 414 F N -0.626 119.245 119.950 -0.132 0.000 2.727 414 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 414 F C 1.140 176.855 175.800 -0.143 0.000 1.097 414 F CA -1.574 56.340 58.000 -0.142 0.000 1.330 414 F CB -0.560 38.315 39.000 -0.207 0.000 1.084 414 F HN 0.152 nan 8.300 nan 0.000 0.578 415 C N 1.721 121.014 119.300 -0.012 0.000 2.566 415 C HA 0.436 4.896 4.460 -0.000 0.000 0.393 415 C C 0.924 175.907 174.990 -0.011 0.000 1.309 415 C CA -0.709 58.293 59.018 -0.027 0.000 1.801 415 C CB -0.452 27.259 27.740 -0.049 0.000 2.493 415 C HN 0.102 nan 8.230 nan 0.000 0.575 416 V N 8.043 127.957 119.914 0.001 0.000 2.125 416 V HA 0.653 4.772 4.120 -0.000 0.000 0.263 416 V C 0.483 176.575 176.094 -0.002 0.000 1.365 416 V CA 1.502 63.804 62.300 0.004 0.000 1.276 416 V CB -0.718 31.112 31.823 0.013 0.000 1.350 416 V HN 1.304 nan 8.190 nan 0.000 0.487 417 T N 0.000 114.549 114.554 -0.008 0.000 3.816 417 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 417 T CA 0.000 nan 62.100 nan 0.000 1.349 417 T CB 0.000 nan 68.868 nan 0.000 0.612 417 T HN 0.000 nan 8.240 nan 0.000 0.658