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 3eqv_1_B DATA FIRST_RESID 66 DATA SEQUENCE VRTQALPATR GTVSDRNGAV LALSAPTEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXL DATA SEQUENCE KRHYPMGNLF AHVIGFTDID GKGQEGLELS LEDSLYGEDG AEVVLRDXXX DATA SEQUENCE NIVDSLDSPR NKAPQNGKDI ILSLDQRIQT LAYEELNKAV EYHQAKAGTV DATA SEQUENCE VVLDARTGEI LALANTPAYD PNRPGRADSE QRRNRAVTDM IEPGSAIKPF DATA SEQUENCE VIAKALDAGK TDLNERLNTQ PYKIGPSPVR DTHVYPSLDV RGIMQKSSNV DATA SEQUENCE GTSKLSARFG AEEMYDFYHE LGIGVRMHSG FPGETAGLLR NWRRWRPIEQ DATA SEQUENCE ATMSFGYGLQ LSLLQLARAY TALTHDGVLL PLSFEKQAVA PQGKRIFKEX DATA SEQUENCE TAREVRNLMV SVTEPGGTGT AGAVDGFDVG AKTGTARKXX XXXXXXNKHV DATA SEQUENCE GTFIGFAPAK NPRVIVAVTI DEPTAHGYYG GVVAGSPFKK IMGGSLNILG DATA SEQUENCE ISPTKPLT 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 66 V HA 0.000 nan 4.120 nan 0.000 0.244 66 V C 0.000 176.096 176.094 0.004 0.000 1.182 66 V CA 0.000 62.302 62.300 0.003 0.000 1.235 66 V CB 0.000 31.825 31.823 0.003 0.000 1.184 67 R N 1.456 121.959 120.500 0.005 0.000 2.854 67 R HA 0.839 5.179 4.340 -0.000 0.000 0.271 67 R C -0.519 175.785 176.300 0.006 0.000 0.994 67 R CA -0.474 55.629 56.100 0.006 0.000 0.945 67 R CB 2.279 32.583 30.300 0.006 0.000 1.194 67 R HN 0.631 nan 8.270 nan 0.000 0.476 68 T N 2.507 117.065 114.554 0.007 0.000 2.799 68 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 68 T C -0.678 174.028 174.700 0.010 0.000 0.973 68 T CA -0.379 61.726 62.100 0.009 0.000 1.035 68 T CB 1.271 70.145 68.868 0.009 0.000 0.932 68 T HN 0.407 nan 8.240 nan 0.000 0.469 69 Q N 1.242 121.048 119.800 0.011 0.000 2.353 69 Q HA 0.652 4.992 4.340 -0.000 0.000 0.268 69 Q C -0.637 175.372 176.000 0.015 0.000 1.045 69 Q CA -0.802 55.008 55.803 0.012 0.000 0.811 69 Q CB 2.130 30.874 28.738 0.010 0.000 1.305 69 Q HN 0.831 nan 8.270 nan 0.000 0.447 70 A N 2.968 125.800 122.820 0.020 0.000 2.388 70 A HA 0.470 4.789 4.320 -0.000 0.000 0.257 70 A C -0.669 176.927 177.584 0.020 0.000 1.095 70 A CA -0.262 51.790 52.037 0.026 0.000 0.791 70 A CB 0.183 19.206 19.000 0.038 0.000 1.029 70 A HN 0.722 nan 8.150 nan 0.000 0.489 71 L N 3.873 125.107 121.223 0.019 0.000 2.313 71 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 71 L C -2.391 174.482 176.870 0.005 0.000 1.028 71 L CA -1.816 53.029 54.840 0.008 0.000 0.871 71 L CB 1.426 43.487 42.059 0.005 0.000 1.242 71 L HN 0.418 nan 8.230 nan 0.000 0.434 72 P HA 0.052 nan 4.420 nan 0.000 0.267 72 P C -0.066 177.191 177.300 -0.071 0.000 1.209 72 P CA -0.018 63.066 63.100 -0.027 0.000 0.763 72 P CB 0.813 32.495 31.700 -0.030 0.000 0.816 73 A N 3.737 126.486 122.820 -0.119 0.000 2.406 73 A HA 0.315 4.635 4.320 -0.000 0.000 0.243 73 A C 0.284 177.754 177.584 -0.190 0.000 1.082 73 A CA 0.242 52.191 52.037 -0.147 0.000 0.786 73 A CB -0.340 18.559 19.000 -0.169 0.000 1.029 73 A HN 0.495 nan 8.150 nan 0.000 0.495 74 T N 1.826 116.298 114.554 -0.138 0.000 2.771 74 T HA 0.347 4.697 4.350 -0.000 0.000 0.291 74 T C 0.473 175.086 174.700 -0.146 0.000 0.954 74 T CA -0.236 61.788 62.100 -0.127 0.000 1.045 74 T CB 0.407 69.227 68.868 -0.080 0.000 0.917 74 T HN 0.646 nan 8.240 nan 0.000 0.484 75 R N 1.943 122.348 120.500 -0.159 0.000 2.590 75 R HA 0.342 4.682 4.340 -0.000 0.000 0.274 75 R C 0.991 177.251 176.300 -0.068 0.000 1.061 75 R CA -0.162 55.861 56.100 -0.129 0.000 1.081 75 R CB 0.185 30.422 30.300 -0.104 0.000 0.984 75 R HN 0.848 nan 8.270 nan 0.000 0.448 76 G N 2.206 110.983 108.800 -0.038 0.000 2.559 76 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.235 76 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.235 76 G C -0.527 174.365 174.900 -0.014 0.000 1.266 76 G CA -0.314 44.775 45.100 -0.018 0.000 0.847 76 G HN 0.592 nan 8.290 nan 0.000 0.583 77 T N 0.205 114.750 114.554 -0.015 0.000 2.909 77 T HA 0.418 4.767 4.350 -0.000 0.000 0.289 77 T C 0.139 174.835 174.700 -0.007 0.000 1.005 77 T CA -0.301 61.790 62.100 -0.016 0.000 1.084 77 T CB 1.667 70.522 68.868 -0.021 0.000 0.975 77 T HN 0.295 nan 8.240 nan 0.000 0.509 78 V N 2.772 122.680 119.914 -0.009 0.000 2.409 78 V HA 0.519 4.639 4.120 -0.000 0.000 0.291 78 V C -0.042 176.018 176.094 -0.056 0.000 1.020 78 V CA -0.642 61.647 62.300 -0.019 0.000 0.848 78 V CB 1.625 33.443 31.823 -0.008 0.000 0.990 78 V HN 0.968 nan 8.190 nan 0.000 0.430 79 S N 2.642 118.307 115.700 -0.058 0.000 2.607 79 S HA 0.514 4.984 4.470 -0.000 0.000 0.303 79 S C -0.546 173.996 174.600 -0.097 0.000 1.086 79 S CA -0.795 57.359 58.200 -0.076 0.000 0.995 79 S CB 1.857 65.034 63.200 -0.040 0.000 1.084 79 S HN 0.958 nan 8.310 nan 0.000 0.507 80 D N 0.524 120.859 120.400 -0.109 0.000 2.414 80 D HA 0.067 4.707 4.640 -0.000 0.000 0.259 80 D C 1.229 177.526 176.300 -0.005 0.000 1.269 80 D CA -0.565 53.397 54.000 -0.063 0.000 1.028 80 D CB 0.312 41.094 40.800 -0.030 0.000 1.093 80 D HN 0.630 nan 8.370 nan 0.000 0.545 81 R N -0.305 120.213 120.500 0.029 0.000 2.189 81 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 81 R C 0.564 176.876 176.300 0.019 0.000 1.092 81 R CA 1.261 57.378 56.100 0.028 0.000 0.989 81 R CB -0.716 29.608 30.300 0.041 0.000 0.876 81 R HN 0.367 nan 8.270 nan 0.000 0.457 82 N N -0.566 118.146 118.700 0.020 0.000 2.187 82 N HA 0.190 4.929 4.740 -0.000 0.000 0.212 82 N C 0.209 175.724 175.510 0.009 0.000 1.152 82 N CA 0.331 53.390 53.050 0.016 0.000 0.872 82 N CB 1.694 40.195 38.487 0.023 0.000 1.025 82 N HN 0.451 nan 8.380 nan 0.000 0.514 83 G N 0.096 108.897 108.800 0.001 0.000 2.201 83 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.212 83 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.212 83 G C 0.262 175.156 174.900 -0.011 0.000 0.994 83 G CA -0.195 44.901 45.100 -0.006 0.000 0.644 83 G HN 0.463 nan 8.290 nan 0.000 0.508 84 A N 0.757 123.570 122.820 -0.011 0.000 2.522 84 A HA 0.553 4.873 4.320 -0.000 0.000 0.256 84 A C 0.832 178.391 177.584 -0.042 0.000 1.086 84 A CA 0.569 52.598 52.037 -0.014 0.000 0.763 84 A CB 0.460 19.461 19.000 0.001 0.000 1.024 84 A HN 1.196 nan 8.150 nan 0.000 0.502 85 V N 4.929 124.826 119.914 -0.029 0.000 2.470 85 V HA 0.053 4.173 4.120 -0.000 0.000 0.276 85 V C 1.102 177.168 176.094 -0.046 0.000 1.040 85 V CA 0.400 62.679 62.300 -0.035 0.000 1.008 85 V CB 0.556 32.370 31.823 -0.014 0.000 0.990 85 V HN 0.852 nan 8.190 nan 0.000 0.477 86 L N 3.871 125.043 121.223 -0.085 0.000 2.609 86 L HA 0.570 4.910 4.340 -0.000 0.000 0.230 86 L C 0.786 177.685 176.870 0.048 0.000 1.087 86 L CA 0.433 55.211 54.840 -0.103 0.000 0.874 86 L CB 0.324 42.167 42.059 -0.360 0.000 1.114 86 L HN 0.711 nan 8.230 nan 0.000 0.488 87 A N 1.549 124.385 122.820 0.026 0.000 2.480 87 A HA 0.690 5.010 4.320 -0.000 0.000 0.289 87 A C -1.164 176.388 177.584 -0.053 0.000 1.044 87 A CA -0.395 51.653 52.037 0.017 0.000 0.761 87 A CB 1.315 20.422 19.000 0.178 0.000 1.289 87 A HN 0.152 nan 8.150 nan 0.000 0.401 88 L N -0.402 120.753 121.223 -0.113 0.000 2.466 88 L HA 0.904 5.243 4.340 -0.000 0.000 0.258 88 L C -0.842 175.971 176.870 -0.096 0.000 0.973 88 L CA -0.587 54.207 54.840 -0.076 0.000 0.826 88 L CB 2.318 44.352 42.059 -0.042 0.000 1.372 88 L HN 0.339 nan 8.230 nan 0.000 0.409 89 S N 1.961 117.615 115.700 -0.076 0.000 2.410 89 S HA 0.766 5.236 4.470 -0.000 0.000 0.304 89 S C 0.047 174.611 174.600 -0.062 0.000 1.095 89 S CA -0.347 57.809 58.200 -0.073 0.000 1.089 89 S CB 1.106 64.262 63.200 -0.073 0.000 0.968 89 S HN 0.848 nan 8.310 nan 0.000 0.480 90 A N 5.124 127.907 122.820 -0.061 0.000 2.324 90 A HA 0.799 5.119 4.320 -0.000 0.000 0.330 90 A C -2.840 174.709 177.584 -0.058 0.000 1.165 90 A CA -2.159 49.838 52.037 -0.067 0.000 0.813 90 A CB 0.364 19.306 19.000 -0.096 0.000 1.197 90 A HN 0.453 nan 8.150 nan 0.000 0.484 91 P HA 0.320 nan 4.420 nan 0.000 0.271 91 P C -0.084 177.191 177.300 -0.042 0.000 1.216 91 P CA 0.246 63.320 63.100 -0.043 0.000 0.771 91 P CB 0.968 32.645 31.700 -0.038 0.000 0.864 92 T N -0.889 113.646 114.554 -0.032 0.000 2.907 92 T HA 0.494 4.844 4.350 -0.000 0.000 0.290 92 T C -0.138 174.550 174.700 -0.020 0.000 1.066 92 T CA -0.984 61.099 62.100 -0.027 0.000 1.012 92 T CB 1.525 70.380 68.868 -0.022 0.000 1.184 92 T HN 0.286 nan 8.240 nan 0.000 0.522 166 K N 2.089 122.473 120.400 -0.027 0.000 2.324 166 K HA 0.637 4.957 4.320 -0.000 0.000 0.253 166 K C -0.782 175.796 176.600 -0.036 0.000 0.932 166 K CA -0.927 55.351 56.287 -0.016 0.000 0.799 166 K CB 2.133 34.632 32.500 -0.002 0.000 1.154 166 K HN 0.469 nan 8.250 nan 0.000 0.425 167 R N 2.272 122.743 120.500 -0.049 0.000 2.298 167 R HA 0.155 4.495 4.340 -0.000 0.000 0.310 167 R C -1.425 174.722 176.300 -0.255 0.000 1.068 167 R CA 0.167 56.174 56.100 -0.156 0.000 0.957 167 R CB 0.143 30.368 30.300 -0.126 0.000 1.003 167 R HN 0.631 nan 8.270 nan 0.000 0.454 168 H N 2.586 121.371 119.070 -0.474 0.000 2.600 168 H HA 0.354 4.910 4.556 -0.000 0.000 0.357 168 H C -1.441 173.536 175.328 -0.584 0.000 1.106 168 H CA -0.611 55.182 56.048 -0.425 0.000 1.193 168 H CB 0.759 30.409 29.762 -0.187 0.000 1.594 168 H HN 0.617 nan 8.280 nan 0.000 0.526 169 Y N 5.507 125.529 120.300 -0.463 0.000 2.575 169 Y HA 0.254 4.804 4.550 -0.000 0.000 0.326 169 Y C -1.876 173.823 175.900 -0.334 0.000 0.979 169 Y CA -2.396 55.543 58.100 -0.267 0.000 1.286 169 Y CB 1.348 39.706 38.460 -0.171 0.000 1.093 169 Y HN 0.674 nan 8.280 nan 0.000 0.501 170 P HA -0.111 nan 4.420 nan 0.000 0.222 170 P C 0.984 178.322 177.300 0.063 0.000 1.147 170 P CA 1.530 64.698 63.100 0.113 0.000 0.790 170 P CB 0.263 32.048 31.700 0.142 0.000 0.780 171 M N -2.061 117.573 119.600 0.057 0.000 2.428 171 M HA 0.240 4.720 4.480 -0.000 0.000 0.239 171 M C 1.227 177.525 176.300 -0.004 0.000 1.121 171 M CA 0.435 55.766 55.300 0.052 0.000 1.019 171 M CB -0.303 32.379 32.600 0.137 0.000 1.485 171 M HN -0.013 nan 8.290 nan 0.000 0.484 172 G N 3.230 112.018 108.800 -0.019 0.000 2.556 172 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.283 172 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.283 172 G C 0.345 175.167 174.900 -0.129 0.000 1.177 172 G CA 0.529 45.587 45.100 -0.070 0.000 0.978 172 G HN 0.698 nan 8.290 nan 0.000 0.554 173 N N 0.663 119.260 118.700 -0.170 0.000 2.550 173 N HA 0.100 4.840 4.740 -0.000 0.000 0.186 173 N C 2.257 177.629 175.510 -0.231 0.000 1.110 173 N CA 0.988 53.901 53.050 -0.229 0.000 0.912 173 N CB 0.040 38.444 38.487 -0.138 0.000 0.968 173 N HN 0.527 nan 8.380 nan 0.000 0.448 174 L N 0.387 121.444 121.223 -0.276 0.000 2.013 174 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 174 L C 0.708 177.365 176.870 -0.355 0.000 1.073 174 L CA 1.786 56.391 54.840 -0.392 0.000 0.753 174 L CB -0.472 41.405 42.059 -0.303 0.000 0.890 174 L HN 0.170 nan 8.230 nan 0.000 0.432 175 F N -1.291 118.571 119.950 -0.148 0.000 2.772 175 F HA 0.391 4.918 4.527 -0.000 0.000 0.302 175 F C 1.759 177.446 175.800 -0.189 0.000 1.136 175 F CA 0.204 58.145 58.000 -0.100 0.000 1.322 175 F CB -0.563 38.403 39.000 -0.056 0.000 0.967 175 F HN 0.069 nan 8.300 nan 0.000 0.513 176 A N 0.110 122.795 122.820 -0.225 0.000 1.896 176 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 176 A C 1.766 179.123 177.584 -0.378 0.000 1.206 176 A CA 2.497 54.181 52.037 -0.589 0.000 0.647 176 A CB -0.894 17.472 19.000 -1.056 0.000 0.828 176 A HN 0.548 nan 8.150 nan 0.000 0.455 177 H N -1.870 117.181 119.070 -0.031 0.000 2.448 177 H HA 0.087 4.643 4.556 -0.000 0.000 0.292 177 H C 2.059 177.433 175.328 0.076 0.000 1.035 177 H CA 0.914 57.003 56.048 0.068 0.000 1.349 177 H CB 0.024 29.808 29.762 0.036 0.000 1.425 177 H HN 0.260 nan 8.280 nan 0.000 0.539 178 V N 0.696 120.737 119.914 0.212 0.000 2.237 178 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 178 V C 2.162 178.391 176.094 0.225 0.000 1.046 178 V CA 1.943 64.414 62.300 0.284 0.000 1.007 178 V CB -0.338 31.712 31.823 0.379 0.000 0.638 178 V HN 0.367 nan 8.190 nan 0.000 0.445 179 I N -0.932 119.719 120.570 0.135 0.000 2.333 179 I HA 0.227 4.397 4.170 -0.000 0.000 0.246 179 I C 1.600 177.723 176.117 0.010 0.000 1.106 179 I CA 0.988 62.314 61.300 0.044 0.000 1.411 179 I CB -0.641 37.359 38.000 0.001 0.000 1.082 179 I HN 0.529 nan 8.210 nan 0.000 0.420 180 G N 1.535 110.339 108.800 0.006 0.000 2.525 180 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.248 180 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.248 180 G C -0.332 174.620 174.900 0.087 0.000 1.238 180 G CA 0.135 45.280 45.100 0.075 0.000 0.926 180 G HN 0.465 nan 8.290 nan 0.000 0.574 181 F N -2.021 117.953 119.950 0.040 0.000 2.711 181 F HA 0.817 5.344 4.527 -0.000 0.000 0.313 181 F C 0.073 175.961 175.800 0.147 0.000 1.141 181 F CA -0.335 57.735 58.000 0.116 0.000 0.941 181 F CB 1.174 40.251 39.000 0.129 0.000 1.349 181 F HN 1.111 nan 8.300 nan 0.000 0.464 182 T N -1.036 113.760 114.554 0.403 0.000 2.945 182 T HA 0.541 4.891 4.350 -0.000 0.000 0.286 182 T C -0.655 174.243 174.700 0.330 0.000 1.025 182 T CA -0.601 61.646 62.100 0.245 0.000 1.039 182 T CB 1.551 70.546 68.868 0.212 0.000 1.068 182 T HN 0.816 nan 8.240 nan 0.000 0.497 183 D N 1.016 121.543 120.400 0.211 0.000 2.414 183 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 183 D C 1.355 177.749 176.300 0.157 0.000 1.252 183 D CA -1.095 53.025 54.000 0.201 0.000 0.999 183 D CB 0.232 41.112 40.800 0.134 0.000 1.093 183 D HN 0.372 nan 8.370 nan 0.000 0.515 184 I N -0.257 120.386 120.570 0.121 0.000 2.248 184 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 184 I C 1.084 177.252 176.117 0.086 0.000 1.107 184 I CA 1.674 63.028 61.300 0.091 0.000 1.373 184 I CB -0.361 37.680 38.000 0.068 0.000 1.055 184 I HN 0.291 nan 8.210 nan 0.000 0.418 185 D N 0.723 121.179 120.400 0.093 0.000 2.336 185 D HA 0.090 4.730 4.640 -0.000 0.000 0.229 185 D C 1.518 177.904 176.300 0.144 0.000 1.061 185 D CA 0.957 55.018 54.000 0.103 0.000 0.875 185 D CB -0.211 40.645 40.800 0.093 0.000 0.904 185 D HN 0.553 nan 8.370 nan 0.000 0.525 186 G N 1.859 110.742 108.800 0.138 0.000 2.221 186 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 186 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 186 G C 0.127 175.170 174.900 0.238 0.000 1.041 186 G CA 0.081 45.272 45.100 0.151 0.000 0.807 186 G HN 0.263 nan 8.290 nan 0.000 0.502 187 K N 0.334 120.850 120.400 0.193 0.000 2.185 187 K HA 0.505 4.825 4.320 -0.000 0.000 0.269 187 K C 0.971 177.626 176.600 0.092 0.000 0.987 187 K CA -0.201 56.175 56.287 0.149 0.000 0.865 187 K CB 1.559 34.090 32.500 0.053 0.000 1.090 187 K HN 0.283 nan 8.250 nan 0.000 0.450 188 G N 1.746 110.589 108.800 0.071 0.000 2.254 188 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.253 188 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.253 188 G C 0.353 175.207 174.900 -0.077 0.000 1.246 188 G CA 0.156 45.259 45.100 0.005 0.000 0.946 188 G HN 0.747 nan 8.290 nan 0.000 0.474 189 Q N 1.241 120.921 119.800 -0.200 0.000 2.442 189 Q HA 0.129 4.469 4.340 -0.000 0.000 0.228 189 Q C 0.445 176.200 176.000 -0.409 0.000 0.902 189 Q CA 0.589 56.210 55.803 -0.304 0.000 0.933 189 Q CB 0.423 28.938 28.738 -0.371 0.000 1.071 189 Q HN 0.741 nan 8.270 nan 0.000 0.562 190 E N -1.413 118.460 120.200 -0.545 0.000 2.408 190 E HA 0.464 4.814 4.350 -0.000 0.000 0.275 190 E C -0.426 176.063 176.600 -0.184 0.000 0.935 190 E CA -0.143 56.035 56.400 -0.370 0.000 0.775 190 E CB 2.060 31.469 29.700 -0.486 0.000 1.277 190 E HN 0.334 nan 8.360 nan 0.000 0.455 191 G N 0.702 109.475 108.800 -0.046 0.000 2.562 191 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.250 191 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.250 191 G C 0.583 175.479 174.900 -0.006 0.000 1.269 191 G CA 0.072 45.197 45.100 0.043 0.000 0.919 191 G HN 0.468 nan 8.290 nan 0.000 0.574 192 L N 0.995 122.199 121.223 -0.032 0.000 2.291 192 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 192 L C 2.895 179.709 176.870 -0.093 0.000 1.120 192 L CA 1.444 56.184 54.840 -0.167 0.000 0.799 192 L CB -0.458 41.443 42.059 -0.263 0.000 0.925 192 L HN 0.603 nan 8.230 nan 0.000 0.446 193 E N 0.330 120.510 120.200 -0.033 0.000 2.085 193 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 193 E C 2.217 178.806 176.600 -0.019 0.000 0.994 193 E CA 1.192 57.595 56.400 0.005 0.000 0.801 193 E CB -0.157 29.571 29.700 0.046 0.000 0.743 193 E HN 0.475 nan 8.360 nan 0.000 0.453 194 L N 1.183 122.370 121.223 -0.061 0.000 2.023 194 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 194 L C 2.586 179.429 176.870 -0.046 0.000 1.073 194 L CA 1.893 56.697 54.840 -0.061 0.000 0.745 194 L CB -0.350 41.657 42.059 -0.087 0.000 0.900 194 L HN 0.156 nan 8.230 nan 0.000 0.435 195 S N -0.907 114.754 115.700 -0.066 0.000 2.461 195 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 195 S C 1.561 176.129 174.600 -0.054 0.000 1.005 195 S CA 0.295 58.456 58.200 -0.065 0.000 0.942 195 S CB -0.241 62.898 63.200 -0.102 0.000 0.776 195 S HN 0.467 nan 8.310 nan 0.000 0.514 196 L N 1.171 122.358 121.223 -0.060 0.000 2.741 196 L HA 0.357 4.697 4.340 -0.000 0.000 0.237 196 L C 2.119 179.002 176.870 0.023 0.000 1.178 196 L CA 0.066 54.900 54.840 -0.011 0.000 0.973 196 L CB -0.056 41.993 42.059 -0.018 0.000 1.255 196 L HN 0.266 nan 8.230 nan 0.000 0.498 197 E N 1.226 121.437 120.200 0.020 0.000 2.070 197 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 197 E C 1.442 178.085 176.600 0.072 0.000 1.004 197 E CA 1.994 58.424 56.400 0.050 0.000 0.805 197 E CB 0.136 29.845 29.700 0.014 0.000 0.744 197 E HN 0.329 nan 8.360 nan 0.000 0.451 198 D N -0.611 119.812 120.400 0.039 0.000 2.182 198 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 198 D C 1.963 178.302 176.300 0.065 0.000 0.986 198 D CA 1.264 55.289 54.000 0.042 0.000 0.847 198 D CB -0.281 40.532 40.800 0.020 0.000 0.942 198 D HN 0.132 nan 8.370 nan 0.000 0.467 199 S N -0.282 115.454 115.700 0.060 0.000 2.362 199 S HA 0.058 4.528 4.470 -0.000 0.000 0.221 199 S C 2.119 176.759 174.600 0.067 0.000 1.032 199 S CA 0.304 58.539 58.200 0.058 0.000 0.973 199 S CB 0.073 63.304 63.200 0.052 0.000 0.849 199 S HN 0.188 nan 8.310 nan 0.000 0.465 200 L N -0.413 120.856 121.223 0.076 0.000 2.179 200 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 200 L C 2.237 179.153 176.870 0.077 0.000 1.096 200 L CA 1.051 55.930 54.840 0.066 0.000 0.779 200 L CB -0.430 41.667 42.059 0.062 0.000 0.922 200 L HN 0.317 nan 8.230 nan 0.000 0.443 201 Y N 0.729 121.034 120.300 0.008 0.000 2.200 201 Y HA 0.016 4.566 4.550 -0.000 0.000 0.290 201 Y C 1.650 177.553 175.900 0.006 0.000 1.137 201 Y CA 1.137 59.242 58.100 0.008 0.000 1.163 201 Y CB -0.245 38.220 38.460 0.007 0.000 0.988 201 Y HN 0.205 nan 8.280 nan 0.000 0.518 202 G N 0.327 109.230 108.800 0.172 0.000 2.542 202 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.235 202 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.235 202 G C -0.716 174.313 174.900 0.215 0.000 1.286 202 G CA 0.059 45.221 45.100 0.104 0.000 0.904 202 G HN 0.462 nan 8.290 nan 0.000 0.577 203 E N 0.080 120.357 120.200 0.128 0.000 2.265 203 E HA 0.449 4.799 4.350 -0.000 0.000 0.262 203 E C -1.108 175.558 176.600 0.109 0.000 0.889 203 E CA -0.764 55.724 56.400 0.147 0.000 0.789 203 E CB 0.928 30.679 29.700 0.084 0.000 1.221 203 E HN 0.421 nan 8.360 nan 0.000 0.414 204 D N 2.280 122.780 120.400 0.166 0.000 2.423 204 D HA 0.183 4.823 4.640 -0.000 0.000 0.238 204 D C 0.318 176.655 176.300 0.061 0.000 1.142 204 D CA 0.483 54.548 54.000 0.107 0.000 0.884 204 D CB 1.192 42.083 40.800 0.152 0.000 1.199 204 D HN 0.498 nan 8.370 nan 0.000 0.438 205 G N -0.667 108.154 108.800 0.036 0.000 2.531 205 G HA2 0.669 4.628 3.960 -0.000 0.000 0.313 205 G HA3 0.669 4.628 3.960 -0.000 0.000 0.313 205 G C -1.167 173.747 174.900 0.025 0.000 1.238 205 G CA -0.299 44.815 45.100 0.025 0.000 0.994 205 G HN 0.583 nan 8.290 nan 0.000 0.493 206 A N -0.313 122.518 122.820 0.018 0.000 2.574 206 A HA 0.771 5.091 4.320 -0.000 0.000 0.297 206 A C -0.846 176.745 177.584 0.011 0.000 1.062 206 A CA -0.641 51.406 52.037 0.016 0.000 0.686 206 A CB 1.644 20.654 19.000 0.017 0.000 1.285 206 A HN 0.965 nan 8.150 nan 0.000 0.403 207 E N 0.657 120.863 120.200 0.010 0.000 2.331 207 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 207 E C -1.521 175.083 176.600 0.007 0.000 0.895 207 E CA -0.951 55.453 56.400 0.007 0.000 0.753 207 E CB 1.935 31.638 29.700 0.005 0.000 1.216 207 E HN 0.304 nan 8.360 nan 0.000 0.434 208 V N 2.604 122.521 119.914 0.006 0.000 2.432 208 V HA 0.243 4.362 4.120 -0.000 0.000 0.271 208 V C -0.116 175.980 176.094 0.004 0.000 1.046 208 V CA -0.425 61.878 62.300 0.005 0.000 0.945 208 V CB 0.869 32.695 31.823 0.005 0.000 0.992 208 V HN 0.531 nan 8.190 nan 0.000 0.471 209 V N 5.934 125.850 119.914 0.004 0.000 2.715 209 V HA 0.528 4.648 4.120 -0.000 0.000 0.310 209 V C -0.391 175.706 176.094 0.003 0.000 1.054 209 V CA -0.851 61.451 62.300 0.004 0.000 0.928 209 V CB 2.084 33.909 31.823 0.004 0.000 1.007 209 V HN 0.675 nan 8.190 nan 0.000 0.437 210 L N 4.601 125.826 121.223 0.003 0.000 2.296 210 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 210 L C 0.043 176.915 176.870 0.002 0.000 1.023 210 L CA 0.358 55.200 54.840 0.003 0.000 0.812 210 L CB 0.807 42.867 42.059 0.002 0.000 1.223 210 L HN 0.668 nan 8.230 nan 0.000 0.421 211 R N 2.817 123.319 120.500 0.003 0.000 3.018 211 R HA 0.766 5.106 4.340 -0.000 0.000 0.243 211 R C -1.526 174.775 176.300 0.002 0.000 1.315 211 R CA -0.860 55.242 56.100 0.003 0.000 1.039 211 R CB 1.782 32.084 30.300 0.003 0.000 1.315 211 R HN 0.798 nan 8.270 nan 0.000 0.492 217 I N 1.206 121.777 120.570 0.002 0.000 2.742 217 I HA -0.032 4.138 4.170 -0.000 0.000 0.287 217 I C 1.357 177.474 176.117 0.001 0.000 1.186 217 I CA 0.360 61.661 61.300 0.002 0.000 1.417 217 I CB 0.773 38.774 38.000 0.002 0.000 1.377 217 I HN 0.237 nan 8.210 nan 0.000 0.556 218 V N 3.729 123.644 119.914 0.002 0.000 3.013 218 V HA 0.242 4.362 4.120 -0.000 0.000 0.238 218 V C 0.401 176.496 176.094 0.001 0.000 1.161 218 V CA 0.698 62.999 62.300 0.001 0.000 1.170 218 V CB 0.062 31.886 31.823 0.001 0.000 0.917 218 V HN 0.790 nan 8.190 nan 0.000 0.478 219 D N -1.121 119.280 120.400 0.001 0.000 2.602 219 D HA 0.376 5.016 4.640 -0.000 0.000 0.236 219 D C -1.387 174.914 176.300 0.002 0.000 1.209 219 D CA 0.009 54.010 54.000 0.001 0.000 0.831 219 D CB 2.739 43.539 40.800 0.001 0.000 1.478 219 D HN 0.069 nan 8.370 nan 0.000 0.438 220 S N 1.237 116.938 115.700 0.001 0.000 2.454 220 S HA 0.733 5.203 4.470 -0.000 0.000 0.306 220 S C -0.902 173.699 174.600 0.002 0.000 1.100 220 S CA -0.527 57.674 58.200 0.002 0.000 1.087 220 S CB 0.499 63.700 63.200 0.001 0.000 1.019 220 S HN 0.304 nan 8.310 nan 0.000 0.480 221 L N 3.325 124.549 121.223 0.002 0.000 2.362 221 L HA 0.522 4.862 4.340 -0.000 0.000 0.271 221 L C -0.603 176.269 176.870 0.002 0.000 1.002 221 L CA -1.067 53.775 54.840 0.002 0.000 0.818 221 L CB 1.803 43.864 42.059 0.002 0.000 1.298 221 L HN 0.523 nan 8.230 nan 0.000 0.420 222 D N 1.405 121.806 120.400 0.002 0.000 2.414 222 D HA 0.394 5.033 4.640 -0.000 0.000 0.242 222 D C -0.163 176.138 176.300 0.003 0.000 1.129 222 D CA 0.545 54.547 54.000 0.002 0.000 0.885 222 D CB 1.366 42.167 40.800 0.002 0.000 1.198 222 D HN 0.401 nan 8.370 nan 0.000 0.437 223 S N 1.077 116.779 115.700 0.003 0.000 2.606 223 S HA 0.284 4.754 4.470 -0.000 0.000 0.290 223 S C -2.430 172.172 174.600 0.004 0.000 1.103 223 S CA -0.974 57.228 58.200 0.003 0.000 0.870 223 S CB 1.255 64.458 63.200 0.004 0.000 1.077 223 S HN 0.019 nan 8.310 nan 0.000 0.448 224 P HA 0.043 nan 4.420 nan 0.000 0.222 224 P C 0.982 178.285 177.300 0.005 0.000 1.147 224 P CA 0.740 63.842 63.100 0.004 0.000 0.790 224 P CB 0.056 31.759 31.700 0.004 0.000 0.780 225 R N -1.156 119.348 120.500 0.006 0.000 2.236 225 R HA 0.042 4.382 4.340 -0.000 0.000 0.208 225 R C 0.233 176.538 176.300 0.008 0.000 1.036 225 R CA 0.211 56.315 56.100 0.007 0.000 1.001 225 R CB -0.597 29.707 30.300 0.007 0.000 0.896 225 R HN 0.214 nan 8.270 nan 0.000 0.464 226 N N 2.721 121.425 118.700 0.007 0.000 2.406 226 N HA -0.005 4.735 4.740 -0.000 0.000 0.274 226 N C -0.642 174.872 175.510 0.007 0.000 1.249 226 N CA 0.890 53.944 53.050 0.006 0.000 0.951 226 N CB 0.531 39.021 38.487 0.005 0.000 1.241 226 N HN -0.025 nan 8.380 nan 0.000 0.485 227 K N 0.909 121.314 120.400 0.009 0.000 2.324 227 K HA 0.477 4.797 4.320 -0.000 0.000 0.253 227 K C -0.423 176.182 176.600 0.009 0.000 0.932 227 K CA -0.797 55.495 56.287 0.010 0.000 0.799 227 K CB 2.489 34.997 32.500 0.014 0.000 1.154 227 K HN 0.386 nan 8.250 nan 0.000 0.425 228 A N 4.384 127.208 122.820 0.007 0.000 2.440 228 A HA 0.349 4.669 4.320 -0.000 0.000 0.251 228 A C -1.976 175.612 177.584 0.007 0.000 1.089 228 A CA -0.953 51.087 52.037 0.005 0.000 0.779 228 A CB -0.513 18.488 19.000 0.002 0.000 1.022 228 A HN 0.371 nan 8.150 nan 0.000 0.492 229 P HA 0.126 nan 4.420 nan 0.000 0.268 229 P C -0.930 176.369 177.300 -0.000 0.000 1.205 229 P CA 0.167 63.269 63.100 0.003 0.000 0.771 229 P CB 0.482 32.176 31.700 -0.009 0.000 0.858 230 Q N 1.962 121.766 119.800 0.006 0.000 2.325 230 Q HA 0.272 4.611 4.340 -0.000 0.000 0.262 230 Q C -0.101 175.894 176.000 -0.008 0.000 0.968 230 Q CA -0.761 55.044 55.803 0.004 0.000 0.877 230 Q CB 1.126 29.874 28.738 0.017 0.000 1.253 230 Q HN 0.387 nan 8.270 nan 0.000 0.448 231 N N 0.898 119.586 118.700 -0.020 0.000 2.453 231 N HA 0.077 4.817 4.740 -0.000 0.000 0.253 231 N C 0.248 175.744 175.510 -0.024 0.000 1.252 231 N CA 0.191 53.219 53.050 -0.036 0.000 0.917 231 N CB 0.558 39.024 38.487 -0.035 0.000 1.117 231 N HN 0.692 nan 8.380 nan 0.000 0.442 232 G N 0.485 109.261 108.800 -0.040 0.000 2.614 232 G HA2 0.037 3.997 3.960 -0.000 0.000 0.239 232 G HA3 0.037 3.997 3.960 -0.000 0.000 0.239 232 G C -0.114 174.784 174.900 -0.004 0.000 1.240 232 G CA -0.351 44.740 45.100 -0.014 0.000 0.842 232 G HN 0.423 nan 8.290 nan 0.000 0.584 233 K N 1.400 121.807 120.400 0.011 0.000 2.218 233 K HA 0.173 4.492 4.320 -0.000 0.000 0.276 233 K C -0.761 175.845 176.600 0.010 0.000 1.022 233 K CA -0.570 55.724 56.287 0.011 0.000 0.946 233 K CB 1.100 33.611 32.500 0.018 0.000 1.000 233 K HN 0.414 nan 8.250 nan 0.000 0.468 234 D N 2.117 122.520 120.400 0.005 0.000 2.304 234 D HA 0.235 4.875 4.640 -0.000 0.000 0.247 234 D C 0.069 176.376 176.300 0.012 0.000 1.089 234 D CA -0.083 53.919 54.000 0.004 0.000 0.910 234 D CB 0.954 41.752 40.800 -0.004 0.000 1.199 234 D HN 0.191 nan 8.370 nan 0.000 0.426 235 I N 2.216 122.796 120.570 0.017 0.000 2.406 235 I HA 0.304 4.473 4.170 -0.000 0.000 0.290 235 I C 0.098 176.227 176.117 0.021 0.000 0.999 235 I CA -0.696 60.623 61.300 0.032 0.000 1.124 235 I CB 1.305 39.342 38.000 0.061 0.000 1.289 235 I HN 0.174 nan 8.210 nan 0.000 0.441 236 I N 6.444 127.025 120.570 0.019 0.000 2.291 236 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 236 I C 0.108 176.245 176.117 0.034 0.000 1.050 236 I CA -0.457 60.850 61.300 0.013 0.000 1.245 236 I CB 0.765 38.766 38.000 0.003 0.000 1.405 236 I HN 0.237 nan 8.210 nan 0.000 0.478 237 L N 4.902 126.151 121.223 0.043 0.000 2.464 237 L HA 0.130 4.470 4.340 -0.000 0.000 0.264 237 L C 1.559 178.474 176.870 0.075 0.000 1.199 237 L CA 0.594 55.489 54.840 0.091 0.000 0.818 237 L CB 1.089 43.194 42.059 0.077 0.000 1.102 237 L HN 0.750 nan 8.230 nan 0.000 0.473 238 S N 0.304 116.067 115.700 0.104 0.000 2.528 238 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 238 S C 0.563 175.234 174.600 0.118 0.000 0.985 238 S CA -0.320 57.930 58.200 0.084 0.000 0.914 238 S CB -0.249 62.991 63.200 0.066 0.000 0.776 238 S HN 0.260 nan 8.310 nan 0.000 0.526 239 L N 2.929 124.257 121.223 0.175 0.000 2.456 239 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 239 L C 0.300 177.299 176.870 0.215 0.000 1.189 239 L CA 0.462 55.446 54.840 0.240 0.000 0.846 239 L CB 0.266 42.582 42.059 0.427 0.000 1.111 239 L HN 0.187 nan 8.230 nan 0.000 0.475 240 D N 1.943 122.461 120.400 0.196 0.000 2.303 240 D HA 0.055 4.695 4.640 -0.000 0.000 0.236 240 D C 0.476 176.897 176.300 0.202 0.000 1.068 240 D CA -0.330 53.763 54.000 0.155 0.000 0.830 240 D CB 1.528 42.382 40.800 0.090 0.000 1.109 240 D HN 0.574 nan 8.370 nan 0.000 0.496 241 Q N 4.045 123.987 119.800 0.236 0.000 2.181 241 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 241 Q C 1.221 177.285 176.000 0.106 0.000 0.980 241 Q CA 1.274 57.232 55.803 0.259 0.000 0.862 241 Q CB 0.286 29.157 28.738 0.221 0.000 0.905 241 Q HN 0.506 nan 8.270 nan 0.000 0.429 242 R N -0.266 120.278 120.500 0.073 0.000 2.075 242 R HA -0.028 4.311 4.340 -0.000 0.000 0.232 242 R C 2.427 178.736 176.300 0.016 0.000 1.126 242 R CA 1.453 57.574 56.100 0.035 0.000 0.963 242 R CB -0.166 30.152 30.300 0.030 0.000 0.858 242 R HN 0.315 nan 8.270 nan 0.000 0.435 243 I N 0.192 120.775 120.570 0.021 0.000 2.353 243 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 243 I C 2.505 178.609 176.117 -0.023 0.000 1.119 243 I CA 0.881 62.180 61.300 -0.001 0.000 1.417 243 I CB -0.184 37.821 38.000 0.009 0.000 1.078 243 I HN 0.110 nan 8.210 nan 0.000 0.421 244 Q N 1.109 120.883 119.800 -0.043 0.000 2.096 244 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 244 Q C 2.101 178.028 176.000 -0.121 0.000 0.982 244 Q CA 2.556 58.261 55.803 -0.164 0.000 0.850 244 Q CB -0.401 28.081 28.738 -0.428 0.000 0.901 244 Q HN 0.419 nan 8.270 nan 0.000 0.422 245 T N 1.170 115.675 114.554 -0.081 0.000 2.708 245 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 245 T C 1.657 176.378 174.700 0.036 0.000 1.037 245 T CA 1.185 63.265 62.100 -0.033 0.000 1.146 245 T CB -0.406 68.445 68.868 -0.028 0.000 0.865 245 T HN 0.283 nan 8.240 nan 0.000 0.435 246 L N 0.728 121.955 121.223 0.006 0.000 1.989 246 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 246 L C 2.852 179.721 176.870 -0.002 0.000 1.071 246 L CA 1.925 56.764 54.840 -0.002 0.000 0.749 246 L CB -0.818 41.226 42.059 -0.025 0.000 0.890 246 L HN 0.313 nan 8.230 nan 0.000 0.431 247 A N -0.808 122.007 122.820 -0.009 0.000 1.883 247 A HA -0.334 3.985 4.320 -0.000 0.000 0.217 247 A C 2.143 179.732 177.584 0.009 0.000 1.186 247 A CA 1.910 53.938 52.037 -0.016 0.000 0.624 247 A CB -1.208 17.775 19.000 -0.027 0.000 0.822 247 A HN 0.638 nan 8.150 nan 0.000 0.444 248 Y N 0.764 121.007 120.300 -0.095 0.000 2.097 248 Y HA -0.251 4.298 4.550 -0.000 0.000 0.282 248 Y C 2.332 178.199 175.900 -0.056 0.000 1.152 248 Y CA 2.444 60.493 58.100 -0.086 0.000 1.136 248 Y CB -0.225 38.165 38.460 -0.117 0.000 0.975 248 Y HN 0.471 nan 8.280 nan 0.000 0.498 249 E N -0.381 119.894 120.200 0.126 0.000 2.072 249 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 249 E C 2.089 178.654 176.600 -0.059 0.000 0.985 249 E CA 1.071 57.491 56.400 0.033 0.000 0.801 249 E CB -0.090 29.673 29.700 0.104 0.000 0.750 249 E HN 0.489 nan 8.360 nan 0.000 0.452 250 E N 0.874 121.047 120.200 -0.045 0.000 2.077 250 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 250 E C 2.152 178.712 176.600 -0.066 0.000 0.989 250 E CA 0.545 56.910 56.400 -0.058 0.000 0.800 250 E CB -0.293 29.373 29.700 -0.058 0.000 0.746 250 E HN 0.139 nan 8.360 nan 0.000 0.452 251 L N 2.054 123.225 121.223 -0.087 0.000 1.994 251 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 251 L C 1.611 178.418 176.870 -0.105 0.000 1.071 251 L CA 1.796 56.583 54.840 -0.088 0.000 0.745 251 L CB -0.825 41.170 42.059 -0.107 0.000 0.892 251 L HN 0.012 nan 8.230 nan 0.000 0.431 252 N N -0.132 118.449 118.700 -0.198 0.000 2.149 252 N HA -0.216 4.523 4.740 -0.000 0.000 0.188 252 N C 1.854 177.317 175.510 -0.079 0.000 1.019 252 N CA 1.201 54.142 53.050 -0.180 0.000 0.857 252 N CB -0.299 38.000 38.487 -0.312 0.000 0.997 252 N HN 0.436 nan 8.380 nan 0.000 0.426 253 K N 0.815 121.176 120.400 -0.065 0.000 2.026 253 K HA -0.015 4.305 4.320 -0.000 0.000 0.208 253 K C 1.899 178.517 176.600 0.029 0.000 1.048 253 K CA 1.217 57.490 56.287 -0.024 0.000 0.929 253 K CB -0.056 32.416 32.500 -0.047 0.000 0.713 253 K HN 0.119 nan 8.250 nan 0.000 0.439 254 A N 0.553 123.397 122.820 0.040 0.000 1.898 254 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 254 A C 2.252 179.967 177.584 0.218 0.000 1.181 254 A CA 1.276 53.406 52.037 0.154 0.000 0.620 254 A CB -0.506 18.572 19.000 0.131 0.000 0.819 254 A HN 0.135 nan 8.150 nan 0.000 0.442 255 V N 0.076 120.053 119.914 0.105 0.000 2.343 255 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 255 V C 2.634 178.777 176.094 0.082 0.000 1.051 255 V CA 2.149 64.500 62.300 0.084 0.000 1.036 255 V CB -0.599 31.235 31.823 0.017 0.000 0.654 255 V HN 0.584 nan 8.190 nan 0.000 0.451 256 E N -0.592 119.644 120.200 0.060 0.000 2.047 256 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 256 E C 2.150 178.790 176.600 0.066 0.000 0.987 256 E CA 1.723 58.151 56.400 0.048 0.000 0.799 256 E CB -0.261 29.459 29.700 0.034 0.000 0.752 256 E HN 0.727 nan 8.360 nan 0.000 0.449 257 Y N 0.913 121.189 120.300 -0.040 0.000 2.097 257 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 257 Y C 2.193 178.041 175.900 -0.086 0.000 1.152 257 Y CA 2.049 60.086 58.100 -0.106 0.000 1.136 257 Y CB -0.167 38.157 38.460 -0.227 0.000 0.975 257 Y HN 0.184 nan 8.280 nan 0.000 0.498 258 H N 0.593 119.716 119.070 0.088 0.000 2.547 258 H HA 0.032 4.588 4.556 -0.000 0.000 0.266 258 H C 0.230 175.507 175.328 -0.084 0.000 0.988 258 H CA 0.893 56.930 56.048 -0.018 0.000 1.147 258 H CB 0.007 29.804 29.762 0.059 0.000 1.365 258 H HN 0.429 nan 8.280 nan 0.000 0.589 259 Q N -0.586 119.221 119.800 0.012 0.000 2.439 259 Q HA -0.151 4.189 4.340 -0.000 0.000 0.325 259 Q C 0.113 176.125 176.000 0.020 0.000 1.372 259 Q CA 0.695 56.492 55.803 -0.010 0.000 0.909 259 Q CB -1.832 26.865 28.738 -0.068 0.000 1.167 259 Q HN 0.528 nan 8.270 nan 0.000 0.418 260 A N 0.170 123.021 122.820 0.052 0.000 2.257 260 A HA 0.376 4.696 4.320 -0.000 0.000 0.289 260 A C 1.163 178.765 177.584 0.029 0.000 1.095 260 A CA -0.043 52.022 52.037 0.047 0.000 0.836 260 A CB 0.765 19.801 19.000 0.059 0.000 1.111 260 A HN 0.255 nan 8.150 nan 0.000 0.497 261 K N -0.615 119.799 120.400 0.024 0.000 2.044 261 K HA 0.245 4.565 4.320 -0.000 0.000 0.204 261 K C 0.617 177.223 176.600 0.010 0.000 1.049 261 K CA 1.393 57.689 56.287 0.015 0.000 0.945 261 K CB 0.012 32.520 32.500 0.012 0.000 0.724 261 K HN 0.845 nan 8.250 nan 0.000 0.440 262 A N -0.773 122.051 122.820 0.006 0.000 2.568 262 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 262 A C -0.979 176.598 177.584 -0.011 0.000 1.159 262 A CA -0.235 51.798 52.037 -0.005 0.000 0.679 262 A CB 1.547 20.538 19.000 -0.015 0.000 1.285 262 A HN 0.271 nan 8.150 nan 0.000 0.428 263 G N -1.449 107.335 108.800 -0.027 0.000 2.601 263 G HA2 0.651 4.611 3.960 -0.000 0.000 0.291 263 G HA3 0.651 4.611 3.960 -0.000 0.000 0.291 263 G C -1.325 173.545 174.900 -0.050 0.000 1.456 263 G CA 0.139 45.221 45.100 -0.030 0.000 0.804 263 G HN 1.060 nan 8.290 nan 0.000 0.499 264 T N -0.616 113.910 114.554 -0.045 0.000 2.923 264 T HA 0.667 5.017 4.350 -0.000 0.000 0.311 264 T C -1.087 173.592 174.700 -0.035 0.000 1.183 264 T CA -0.468 61.598 62.100 -0.057 0.000 1.020 264 T CB 2.070 70.895 68.868 -0.072 0.000 1.165 264 T HN 0.710 nan 8.240 nan 0.000 0.482 265 V N 2.237 122.129 119.914 -0.035 0.000 2.709 265 V HA 0.718 4.838 4.120 -0.000 0.000 0.308 265 V C -0.813 175.271 176.094 -0.017 0.000 1.062 265 V CA -0.717 61.574 62.300 -0.016 0.000 0.901 265 V CB 2.177 33.989 31.823 -0.017 0.000 1.003 265 V HN 0.740 nan 8.190 nan 0.000 0.425 266 V N 4.484 124.400 119.914 0.003 0.000 2.656 266 V HA 0.621 4.741 4.120 -0.000 0.000 0.307 266 V C -0.686 175.426 176.094 0.031 0.000 1.051 266 V CA -0.609 61.698 62.300 0.012 0.000 0.893 266 V CB 2.262 34.094 31.823 0.014 0.000 0.999 266 V HN 0.606 nan 8.190 nan 0.000 0.426 267 V N 6.061 125.995 119.914 0.034 0.000 2.483 267 V HA 0.536 4.656 4.120 -0.000 0.000 0.297 267 V C -0.381 175.747 176.094 0.057 0.000 1.027 267 V CA -0.431 61.891 62.300 0.036 0.000 0.855 267 V CB 1.633 33.462 31.823 0.010 0.000 0.995 267 V HN 0.633 nan 8.190 nan 0.000 0.424 268 L N 2.854 124.117 121.223 0.067 0.000 2.330 268 L HA 0.603 4.943 4.340 -0.000 0.000 0.271 268 L C -0.073 176.833 176.870 0.059 0.000 1.013 268 L CA -0.717 54.166 54.840 0.072 0.000 0.816 268 L CB 1.835 43.946 42.059 0.086 0.000 1.287 268 L HN 0.536 nan 8.230 nan 0.000 0.435 269 D N 1.386 121.814 120.400 0.047 0.000 2.339 269 D HA 0.153 4.793 4.640 -0.000 0.000 0.256 269 D C 0.677 176.995 176.300 0.030 0.000 1.214 269 D CA -0.036 53.984 54.000 0.033 0.000 0.877 269 D CB 1.982 42.794 40.800 0.020 0.000 1.111 269 D HN 0.636 nan 8.370 nan 0.000 0.478 270 A N 4.627 127.475 122.820 0.046 0.000 2.172 270 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 270 A C 1.718 179.320 177.584 0.030 0.000 1.154 270 A CA 0.884 52.954 52.037 0.055 0.000 0.701 270 A CB 0.003 19.048 19.000 0.075 0.000 0.789 270 A HN 0.678 nan 8.150 nan 0.000 0.465 271 R N -1.499 119.000 120.500 -0.001 0.000 2.373 271 R HA 0.111 4.451 4.340 -0.000 0.000 0.221 271 R C 1.572 177.720 176.300 -0.253 0.000 0.893 271 R CA 0.992 57.067 56.100 -0.041 0.000 1.049 271 R CB -0.073 30.278 30.300 0.084 0.000 1.119 271 R HN 0.484 nan 8.270 nan 0.000 0.535 272 T N -3.947 110.516 114.554 -0.152 0.000 2.964 272 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 272 T C 1.549 176.175 174.700 -0.123 0.000 1.000 272 T CA 0.554 62.567 62.100 -0.145 0.000 0.992 272 T CB 0.938 69.766 68.868 -0.065 0.000 1.087 272 T HN 0.271 nan 8.240 nan 0.000 0.489 273 G N 1.435 110.188 108.800 -0.077 0.000 2.175 273 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.244 273 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.244 273 G C -0.193 174.712 174.900 0.007 0.000 0.982 273 G CA 0.061 45.143 45.100 -0.030 0.000 0.641 273 G HN 0.680 nan 8.290 nan 0.000 0.527 274 E N 0.274 120.476 120.200 0.003 0.000 2.414 274 E HA 0.338 4.688 4.350 -0.000 0.000 0.263 274 E C 0.785 177.427 176.600 0.071 0.000 1.000 274 E CA -0.077 56.341 56.400 0.030 0.000 0.914 274 E CB 0.689 30.401 29.700 0.020 0.000 0.948 274 E HN 0.445 nan 8.360 nan 0.000 0.444 275 I N 4.544 125.184 120.570 0.117 0.000 2.471 275 I HA -0.059 4.111 4.170 -0.000 0.000 0.286 275 I C 1.007 177.208 176.117 0.140 0.000 1.079 275 I CA 0.188 61.578 61.300 0.150 0.000 1.398 275 I CB 0.499 38.642 38.000 0.239 0.000 1.403 275 I HN 0.530 nan 8.210 nan 0.000 0.530 276 L N 6.116 127.405 121.223 0.109 0.000 2.575 276 L HA 0.455 4.795 4.340 -0.000 0.000 0.228 276 L C 0.642 177.576 176.870 0.106 0.000 1.075 276 L CA 0.147 55.048 54.840 0.101 0.000 0.867 276 L CB 0.214 42.311 42.059 0.063 0.000 1.097 276 L HN 0.745 nan 8.230 nan 0.000 0.485 277 A N 0.300 123.171 122.820 0.086 0.000 2.604 277 A HA 0.731 5.051 4.320 -0.000 0.000 0.295 277 A C -1.753 175.854 177.584 0.038 0.000 1.067 277 A CA -0.306 51.758 52.037 0.046 0.000 0.683 277 A CB 1.828 20.825 19.000 -0.005 0.000 1.281 277 A HN -0.016 nan 8.150 nan 0.000 0.407 278 L N 0.890 122.115 121.223 0.003 0.000 2.849 278 L HA 0.674 5.014 4.340 -0.000 0.000 0.256 278 L C -0.740 176.110 176.870 -0.033 0.000 0.951 278 L CA -0.034 54.798 54.840 -0.013 0.000 1.003 278 L CB 1.191 43.249 42.059 -0.002 0.000 1.408 278 L HN 1.532 nan 8.230 nan 0.000 0.463 279 A N 4.021 126.820 122.820 -0.034 0.000 2.435 279 A HA 0.883 5.203 4.320 -0.000 0.000 0.304 279 A C -1.475 176.097 177.584 -0.020 0.000 1.064 279 A CA -0.713 51.323 52.037 -0.001 0.000 0.727 279 A CB 1.773 20.777 19.000 0.007 0.000 1.284 279 A HN 0.646 nan 8.150 nan 0.000 0.415 280 N N 0.166 118.878 118.700 0.020 0.000 2.262 280 N HA 0.647 5.387 4.740 -0.000 0.000 0.295 280 N C -1.319 174.212 175.510 0.035 0.000 1.161 280 N CA -0.329 52.675 53.050 -0.076 0.000 0.767 280 N CB 2.276 40.537 38.487 -0.377 0.000 1.499 280 N HN 0.610 nan 8.380 nan 0.000 0.476 281 T N 0.731 115.279 114.554 -0.010 0.000 2.893 281 T HA 0.493 4.842 4.350 -0.000 0.000 0.293 281 T C -2.793 171.919 174.700 0.020 0.000 1.027 281 T CA -1.826 60.286 62.100 0.019 0.000 0.988 281 T CB 1.480 70.313 68.868 -0.058 0.000 1.043 281 T HN 0.225 nan 8.240 nan 0.000 0.461 282 P HA 0.482 nan 4.420 nan 0.000 0.272 282 P C -1.012 176.424 177.300 0.226 0.000 1.230 282 P CA -0.289 62.871 63.100 0.100 0.000 0.788 282 P CB 0.829 32.581 31.700 0.086 0.000 0.949 283 A N 1.476 124.419 122.820 0.206 0.000 2.726 283 A HA 0.907 5.227 4.320 -0.000 0.000 0.248 283 A C -1.310 176.387 177.584 0.187 0.000 1.249 283 A CA -0.487 51.675 52.037 0.210 0.000 0.846 283 A CB 0.916 19.954 19.000 0.064 0.000 1.391 283 A HN 0.682 nan 8.150 nan 0.000 0.497 284 Y N -1.926 118.327 120.300 -0.079 0.000 2.638 284 Y HA 0.646 5.196 4.550 -0.000 0.000 0.335 284 Y C -1.261 174.579 175.900 -0.101 0.000 1.155 284 Y CA -1.283 56.769 58.100 -0.079 0.000 1.046 284 Y CB 0.965 39.365 38.460 -0.100 0.000 1.303 284 Y HN 0.493 nan 8.280 nan 0.000 0.460 285 D N 3.764 124.142 120.400 -0.037 0.000 2.316 285 D HA 0.263 4.903 4.640 -0.000 0.000 0.245 285 D C -1.764 174.496 176.300 -0.067 0.000 1.171 285 D CA -2.554 51.377 54.000 -0.115 0.000 0.856 285 D CB 1.653 42.432 40.800 -0.034 0.000 1.090 285 D HN 0.436 nan 8.370 nan 0.000 0.476 286 P HA -0.067 nan 4.420 nan 0.000 0.230 286 P C 0.709 178.064 177.300 0.093 0.000 1.158 286 P CA 0.442 63.468 63.100 -0.124 0.000 0.769 286 P CB 0.470 31.832 31.700 -0.564 0.000 0.807 287 N N 0.464 119.247 118.700 0.138 0.000 2.309 287 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 287 N C 0.655 176.204 175.510 0.065 0.000 1.018 287 N CA 0.868 54.008 53.050 0.149 0.000 0.876 287 N CB 0.044 38.548 38.487 0.028 0.000 0.972 287 N HN 0.147 nan 8.380 nan 0.000 0.434 288 R N 0.685 121.195 120.500 0.017 0.000 2.629 288 R HA 0.238 4.578 4.340 -0.000 0.000 0.277 288 R C -1.962 174.292 176.300 -0.076 0.000 1.637 288 R CA -1.164 54.925 56.100 -0.020 0.000 1.663 288 R CB 0.967 31.266 30.300 -0.001 0.000 1.228 288 R HN 0.164 nan 8.270 nan 0.000 0.632 289 P HA 0.077 nan 4.420 nan 0.000 0.251 289 P C 1.213 178.272 177.300 -0.402 0.000 1.223 289 P CA 0.334 63.163 63.100 -0.451 0.000 0.796 289 P CB 0.463 31.426 31.700 -1.228 0.000 1.068 290 G N 1.232 109.894 108.800 -0.231 0.000 2.422 290 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 290 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 290 G C 1.686 176.523 174.900 -0.106 0.000 1.146 290 G CA 0.250 45.263 45.100 -0.145 0.000 0.769 290 G HN 0.266 nan 8.290 nan 0.000 0.547 291 R N 0.304 120.750 120.500 -0.089 0.000 2.317 291 R HA 0.369 4.709 4.340 -0.000 0.000 0.208 291 R C 0.994 177.255 176.300 -0.064 0.000 0.914 291 R CA 0.107 56.173 56.100 -0.058 0.000 1.060 291 R CB 0.318 30.599 30.300 -0.032 0.000 1.015 291 R HN 0.275 nan 8.270 nan 0.000 0.498 292 A N 2.568 125.320 122.820 -0.113 0.000 2.492 292 A HA 0.086 4.405 4.320 -0.000 0.000 0.254 292 A C -0.259 177.256 177.584 -0.116 0.000 1.091 292 A CA -0.526 51.435 52.037 -0.128 0.000 0.768 292 A CB 0.013 18.840 19.000 -0.290 0.000 1.028 292 A HN 0.281 nan 8.150 nan 0.000 0.498 293 D N 1.901 122.266 120.400 -0.058 0.000 2.451 293 D HA 0.353 4.993 4.640 -0.000 0.000 0.259 293 D C 1.131 177.413 176.300 -0.031 0.000 1.201 293 D CA 0.087 54.065 54.000 -0.036 0.000 1.028 293 D CB 0.188 40.981 40.800 -0.012 0.000 1.095 293 D HN 0.215 nan 8.370 nan 0.000 0.539 294 S N -0.641 115.052 115.700 -0.011 0.000 2.359 294 S HA -0.240 4.230 4.470 -0.000 0.000 0.223 294 S C 1.627 176.239 174.600 0.021 0.000 1.039 294 S CA 1.691 59.892 58.200 0.001 0.000 1.042 294 S CB -0.510 62.691 63.200 0.002 0.000 0.915 294 S HN 0.612 nan 8.310 nan 0.000 0.439 295 E N 1.288 121.502 120.200 0.023 0.000 2.070 295 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 295 E C 2.263 178.913 176.600 0.084 0.000 1.004 295 E CA 1.466 57.888 56.400 0.037 0.000 0.805 295 E CB -0.273 29.443 29.700 0.027 0.000 0.744 295 E HN 0.563 nan 8.360 nan 0.000 0.451 296 Q N -0.597 119.262 119.800 0.098 0.000 2.124 296 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 296 Q C 2.192 178.407 176.000 0.358 0.000 0.977 296 Q CA 1.179 57.099 55.803 0.195 0.000 0.850 296 Q CB -0.061 28.759 28.738 0.136 0.000 0.901 296 Q HN 0.147 nan 8.270 nan 0.000 0.429 297 R N 0.247 120.845 120.500 0.163 0.000 2.246 297 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 297 R C 0.657 177.164 176.300 0.345 0.000 0.984 297 R CA -0.099 56.082 56.100 0.135 0.000 1.015 297 R CB 0.174 30.406 30.300 -0.115 0.000 0.930 297 R HN 0.018 nan 8.270 nan 0.000 0.475 298 R N 2.130 122.749 120.500 0.198 0.000 2.401 298 R HA -0.011 4.329 4.340 -0.000 0.000 0.299 298 R C -0.169 176.055 176.300 -0.126 0.000 1.064 298 R CA -0.028 56.108 56.100 0.061 0.000 1.000 298 R CB 0.293 30.592 30.300 -0.002 0.000 0.973 298 R HN -0.122 nan 8.270 nan 0.000 0.438 299 N N 3.808 122.459 118.700 -0.081 0.000 3.050 299 N HA 0.007 4.747 4.740 -0.000 0.000 0.289 299 N C 0.379 175.761 175.510 -0.213 0.000 1.209 299 N CA 0.148 53.069 53.050 -0.216 0.000 1.154 299 N CB 0.235 38.672 38.487 -0.083 0.000 1.444 299 N HN 0.560 nan 8.380 nan 0.000 0.529 300 R N 1.118 121.470 120.500 -0.246 0.000 2.119 300 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 300 R C 1.931 178.143 176.300 -0.146 0.000 1.146 300 R CA 1.886 57.888 56.100 -0.164 0.000 0.962 300 R CB -0.316 29.893 30.300 -0.151 0.000 0.863 300 R HN 0.473 nan 8.270 nan 0.000 0.442 301 A N 0.707 123.423 122.820 -0.173 0.000 1.917 301 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 301 A C 2.348 179.840 177.584 -0.153 0.000 1.182 301 A CA 2.174 54.118 52.037 -0.154 0.000 0.633 301 A CB -0.678 18.216 19.000 -0.177 0.000 0.819 301 A HN 0.323 nan 8.150 nan 0.000 0.448 302 V N -2.409 117.391 119.914 -0.191 0.000 3.125 302 V HA -0.008 4.112 4.120 -0.000 0.000 0.249 302 V C 2.151 178.189 176.094 -0.093 0.000 1.113 302 V CA 2.158 64.368 62.300 -0.151 0.000 1.106 302 V CB -0.752 30.948 31.823 -0.204 0.000 0.768 302 V HN 0.669 nan 8.190 nan 0.000 0.468 303 T N -2.418 112.081 114.554 -0.092 0.000 3.031 303 T HA 0.129 4.479 4.350 -0.000 0.000 0.254 303 T C 0.381 175.046 174.700 -0.058 0.000 1.060 303 T CA 0.480 62.542 62.100 -0.064 0.000 1.135 303 T CB -0.287 68.548 68.868 -0.055 0.000 0.896 303 T HN 0.478 nan 8.240 nan 0.000 0.472 304 D N 2.695 123.055 120.400 -0.066 0.000 2.198 304 D HA 0.428 5.067 4.640 -0.000 0.000 0.245 304 D C 0.051 176.317 176.300 -0.057 0.000 1.079 304 D CA -0.394 53.572 54.000 -0.057 0.000 0.854 304 D CB 1.336 42.101 40.800 -0.058 0.000 1.148 304 D HN 0.578 nan 8.370 nan 0.000 0.456 305 M N 1.005 120.574 119.600 -0.051 0.000 2.318 305 M HA 0.666 5.146 4.480 -0.000 0.000 0.347 305 M C -0.681 175.584 176.300 -0.059 0.000 1.175 305 M CA -0.684 54.583 55.300 -0.056 0.000 1.075 305 M CB 1.118 33.687 32.600 -0.052 0.000 1.614 305 M HN 0.294 nan 8.290 nan 0.000 0.456 306 I N -1.277 119.250 120.570 -0.070 0.000 2.828 306 I HA 0.559 4.729 4.170 -0.000 0.000 0.302 306 I C -0.881 175.168 176.117 -0.114 0.000 1.101 306 I CA -0.978 60.274 61.300 -0.080 0.000 1.031 306 I CB 2.120 40.077 38.000 -0.072 0.000 1.231 306 I HN 0.715 nan 8.210 nan 0.000 0.427 307 E N 4.735 124.845 120.200 -0.149 0.000 2.299 307 E HA 0.141 4.490 4.350 -0.000 0.000 0.272 307 E C -1.614 174.828 176.600 -0.263 0.000 1.043 307 E CA -1.441 54.809 56.400 -0.251 0.000 0.895 307 E CB 0.761 30.242 29.700 -0.365 0.000 1.011 307 E HN 0.492 nan 8.360 nan 0.000 0.432 308 P HA -0.100 nan 4.420 nan 0.000 0.230 308 P C 0.944 178.162 177.300 -0.138 0.000 1.158 308 P CA 0.918 63.938 63.100 -0.135 0.000 0.769 308 P CB 0.260 31.915 31.700 -0.074 0.000 0.807 309 G N 1.008 109.639 108.800 -0.281 0.000 2.627 309 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.312 309 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.312 309 G C 1.303 176.239 174.900 0.059 0.000 1.299 309 G CA 0.927 45.931 45.100 -0.160 0.000 0.989 309 G HN 0.228 nan 8.290 nan 0.000 0.547 310 S N 0.586 116.353 115.700 0.111 0.000 2.420 310 S HA -0.046 4.424 4.470 -0.000 0.000 0.237 310 S C 2.726 177.393 174.600 0.112 0.000 1.023 310 S CA 2.076 60.351 58.200 0.124 0.000 0.991 310 S CB -0.606 62.645 63.200 0.084 0.000 0.792 310 S HN 1.586 nan 8.310 nan 0.000 0.488 311 A N 0.550 123.423 122.820 0.089 0.000 2.125 311 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 311 A C 1.969 179.760 177.584 0.345 0.000 1.156 311 A CA 0.983 53.133 52.037 0.189 0.000 0.671 311 A CB -0.452 18.624 19.000 0.127 0.000 0.794 311 A HN 0.513 nan 8.150 nan 0.000 0.459 312 I N -0.996 119.732 120.570 0.263 0.000 2.876 312 I HA -0.054 4.116 4.170 -0.000 0.000 0.264 312 I C 1.948 178.303 176.117 0.396 0.000 1.204 312 I CA 0.921 62.438 61.300 0.362 0.000 1.485 312 I CB -0.104 37.994 38.000 0.163 0.000 1.103 312 I HN 0.185 nan 8.210 nan 0.000 0.446 313 K N 1.032 121.590 120.400 0.263 0.000 2.074 313 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 313 K C -0.552 176.129 176.600 0.135 0.000 1.048 313 K CA 1.968 58.383 56.287 0.212 0.000 0.926 313 K CB -1.561 31.038 32.500 0.166 0.000 0.713 313 K HN 0.348 nan 8.250 nan 0.000 0.444 314 P HA -0.142 nan 4.420 nan 0.000 0.219 314 P C 0.850 178.000 177.300 -0.249 0.000 1.146 314 P CA 1.227 64.211 63.100 -0.193 0.000 0.808 314 P CB -0.024 31.447 31.700 -0.380 0.000 0.779 315 F N -1.225 118.804 119.950 0.132 0.000 2.206 315 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 315 F C 2.314 178.348 175.800 0.389 0.000 1.090 315 F CA 0.876 59.092 58.000 0.359 0.000 1.323 315 F CB -1.334 37.920 39.000 0.423 0.000 1.028 315 F HN -0.280 nan 8.300 nan 0.000 0.492 316 V N 0.416 120.607 119.914 0.462 0.000 2.295 316 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 316 V C 2.238 178.402 176.094 0.117 0.000 1.049 316 V CA 1.786 64.245 62.300 0.265 0.000 1.024 316 V CB -0.604 31.404 31.823 0.308 0.000 0.648 316 V HN 0.266 nan 8.190 nan 0.000 0.447 317 I N 0.616 121.239 120.570 0.088 0.000 2.163 317 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 317 I C 2.647 178.733 176.117 -0.051 0.000 1.085 317 I CA 1.689 63.000 61.300 0.019 0.000 1.347 317 I CB -0.590 37.405 38.000 -0.008 0.000 1.044 317 I HN 0.267 nan 8.210 nan 0.000 0.408 318 A N 0.296 123.028 122.820 -0.146 0.000 1.933 318 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 318 A C 2.251 179.727 177.584 -0.181 0.000 1.175 318 A CA 1.851 53.675 52.037 -0.355 0.000 0.628 318 A CB -0.431 18.023 19.000 -0.910 0.000 0.814 318 A HN 0.237 nan 8.150 nan 0.000 0.444 319 K N 0.435 120.815 120.400 -0.034 0.000 2.002 319 K HA -0.011 4.309 4.320 -0.000 0.000 0.209 319 K C 2.045 178.665 176.600 0.032 0.000 1.048 319 K CA 1.819 58.015 56.287 -0.151 0.000 0.930 319 K CB -0.799 31.160 32.500 -0.903 0.000 0.714 319 K HN 0.309 nan 8.250 nan 0.000 0.438 320 A N 0.660 123.562 122.820 0.136 0.000 1.908 320 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 320 A C 2.320 179.971 177.584 0.112 0.000 1.181 320 A CA 1.857 54.051 52.037 0.263 0.000 0.627 320 A CB -0.795 18.327 19.000 0.202 0.000 0.818 320 A HN 0.328 nan 8.150 nan 0.000 0.445 321 L N -0.963 120.285 121.223 0.040 0.000 2.017 321 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 321 L C 2.373 179.260 176.870 0.028 0.000 1.073 321 L CA 1.863 56.707 54.840 0.007 0.000 0.745 321 L CB -0.626 41.409 42.059 -0.040 0.000 0.894 321 L HN 0.401 nan 8.230 nan 0.000 0.432 322 D N -0.227 120.203 120.400 0.050 0.000 2.144 322 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 322 D C 2.079 178.437 176.300 0.096 0.000 0.984 322 D CA 1.192 55.249 54.000 0.095 0.000 0.834 322 D CB 0.133 41.059 40.800 0.209 0.000 0.955 322 D HN 0.296 nan 8.370 nan 0.000 0.465 323 A N -0.743 122.154 122.820 0.128 0.000 2.119 323 A HA 0.357 4.677 4.320 -0.000 0.000 0.216 323 A C 1.841 179.455 177.584 0.050 0.000 1.152 323 A CA 1.116 53.231 52.037 0.130 0.000 0.708 323 A CB -0.420 18.754 19.000 0.289 0.000 0.805 323 A HN 0.401 nan 8.150 nan 0.000 0.460 324 G N -0.597 108.222 108.800 0.032 0.000 2.149 324 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.235 324 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.235 324 G C 0.682 175.558 174.900 -0.039 0.000 1.018 324 G CA 0.536 45.634 45.100 -0.004 0.000 0.728 324 G HN 0.395 nan 8.290 nan 0.000 0.508 325 K N -0.623 119.742 120.400 -0.058 0.000 2.426 325 K HA 0.171 4.491 4.320 -0.000 0.000 0.193 325 K C 1.009 177.562 176.600 -0.078 0.000 1.028 325 K CA 1.074 57.281 56.287 -0.133 0.000 1.047 325 K CB 0.614 32.933 32.500 -0.303 0.000 0.821 325 K HN 0.473 nan 8.250 nan 0.000 0.513 326 T N 0.698 115.231 114.554 -0.035 0.000 2.739 326 T HA 0.289 4.639 4.350 -0.000 0.000 0.303 326 T C -2.149 172.542 174.700 -0.016 0.000 1.389 326 T CA -0.770 61.316 62.100 -0.023 0.000 1.001 326 T CB 1.700 70.562 68.868 -0.010 0.000 1.436 326 T HN 0.189 nan 8.240 nan 0.000 0.500 327 D N -0.100 120.290 120.400 -0.016 0.000 2.664 327 D HA 0.376 5.016 4.640 -0.000 0.000 0.292 327 D C 0.983 177.274 176.300 -0.015 0.000 1.214 327 D CA -0.820 53.171 54.000 -0.014 0.000 0.932 327 D CB 0.099 40.891 40.800 -0.014 0.000 1.420 327 D HN 0.428 nan 8.370 nan 0.000 0.471 328 L N -0.305 120.909 121.223 -0.015 0.000 2.275 328 L HA -0.040 4.300 4.340 -0.000 0.000 0.215 328 L C 1.379 178.241 176.870 -0.013 0.000 1.119 328 L CA 0.801 55.632 54.840 -0.015 0.000 0.790 328 L CB -0.615 41.435 42.059 -0.015 0.000 0.919 328 L HN 0.353 nan 8.230 nan 0.000 0.443 329 N N -0.109 118.583 118.700 -0.012 0.000 2.250 329 N HA -0.099 4.640 4.740 -0.000 0.000 0.181 329 N C 0.846 176.349 175.510 -0.012 0.000 1.017 329 N CA 0.411 53.454 53.050 -0.011 0.000 0.866 329 N CB -0.058 38.423 38.487 -0.010 0.000 0.985 329 N HN 0.378 nan 8.380 nan 0.000 0.429 330 E N 1.208 121.400 120.200 -0.013 0.000 2.442 330 E HA -0.027 4.323 4.350 -0.000 0.000 0.262 330 E C -0.262 176.330 176.600 -0.013 0.000 1.004 330 E CA 0.038 56.430 56.400 -0.014 0.000 0.928 330 E CB 0.587 30.277 29.700 -0.017 0.000 0.937 330 E HN -0.005 nan 8.360 nan 0.000 0.446 331 R N 4.543 125.036 120.500 -0.012 0.000 2.439 331 R HA 0.361 4.701 4.340 -0.000 0.000 0.310 331 R C -1.056 175.238 176.300 -0.010 0.000 0.955 331 R CA -0.483 55.611 56.100 -0.009 0.000 0.853 331 R CB 0.672 30.968 30.300 -0.006 0.000 1.171 331 R HN 0.413 nan 8.270 nan 0.000 0.449 332 L N 2.764 123.983 121.223 -0.007 0.000 2.331 332 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 332 L C 0.123 176.990 176.870 -0.005 0.000 1.022 332 L CA -1.293 53.540 54.840 -0.012 0.000 0.812 332 L CB 1.375 43.426 42.059 -0.013 0.000 1.257 332 L HN 0.607 nan 8.230 nan 0.000 0.435 333 N N 1.575 120.264 118.700 -0.018 0.000 2.438 333 N HA -0.000 4.740 4.740 -0.000 0.000 0.267 333 N C 0.300 175.806 175.510 -0.008 0.000 1.222 333 N CA 0.179 53.222 53.050 -0.012 0.000 0.930 333 N CB 0.902 39.370 38.487 -0.031 0.000 1.083 333 N HN 0.793 nan 8.380 nan 0.000 0.476 334 T N -0.025 114.553 114.554 0.040 0.000 3.296 334 T HA 0.188 4.537 4.350 -0.000 0.000 0.285 334 T C 0.454 175.223 174.700 0.115 0.000 1.014 334 T CA -0.483 61.666 62.100 0.082 0.000 0.920 334 T CB -0.003 68.934 68.868 0.115 0.000 1.143 334 T HN 0.417 nan 8.240 nan 0.000 0.522 335 Q N 2.099 121.950 119.800 0.085 0.000 2.394 335 Q HA 0.269 4.609 4.340 -0.000 0.000 0.248 335 Q C -2.436 173.651 176.000 0.145 0.000 0.992 335 Q CA -1.874 53.980 55.803 0.086 0.000 0.888 335 Q CB 0.284 29.057 28.738 0.058 0.000 1.257 335 Q HN 0.206 nan 8.270 nan 0.000 0.462 336 P HA -0.114 nan 4.420 nan 0.000 0.264 336 P C -1.448 175.981 177.300 0.215 0.000 1.183 336 P CA 0.870 64.043 63.100 0.123 0.000 0.763 336 P CB 0.054 31.774 31.700 0.033 0.000 0.807 337 Y N -0.143 120.167 120.300 0.018 0.000 2.705 337 Y HA 0.721 5.270 4.550 -0.000 0.000 0.332 337 Y C -0.772 175.147 175.900 0.031 0.000 1.157 337 Y CA -1.458 56.657 58.100 0.026 0.000 1.091 337 Y CB 1.647 40.128 38.460 0.036 0.000 1.301 337 Y HN 0.045 nan 8.280 nan 0.000 0.488 338 K N 1.658 122.051 120.400 -0.011 0.000 2.324 338 K HA 0.562 4.882 4.320 -0.000 0.000 0.253 338 K C -1.550 175.036 176.600 -0.022 0.000 0.932 338 K CA -0.703 55.526 56.287 -0.096 0.000 0.799 338 K CB 2.305 34.800 32.500 -0.008 0.000 1.154 338 K HN 0.641 nan 8.250 nan 0.000 0.425 339 I N 3.367 123.890 120.570 -0.079 0.000 2.330 339 I HA 0.172 4.341 4.170 -0.000 0.000 0.286 339 I C 1.016 177.149 176.117 0.026 0.000 1.025 339 I CA 0.145 61.462 61.300 0.029 0.000 1.197 339 I CB 0.827 38.845 38.000 0.029 0.000 1.358 339 I HN 0.982 nan 8.210 nan 0.000 0.467 340 G N 8.615 117.444 108.800 0.048 0.000 2.651 340 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.315 340 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.315 340 G C -1.518 173.393 174.900 0.019 0.000 1.258 340 G CA 0.285 45.406 45.100 0.036 0.000 1.002 340 G HN 0.543 nan 8.290 nan 0.000 0.551 341 P HA 0.283 nan 4.420 nan 0.000 0.255 341 P C 0.097 177.387 177.300 -0.017 0.000 1.248 341 P CA 0.562 63.662 63.100 -0.001 0.000 0.807 341 P CB 0.308 32.008 31.700 0.001 0.000 1.150 342 S N 3.289 118.974 115.700 -0.025 0.000 2.430 342 S HA 0.356 4.826 4.470 -0.000 0.000 0.289 342 S C -2.398 172.148 174.600 -0.090 0.000 1.143 342 S CA -1.183 56.991 58.200 -0.044 0.000 1.067 342 S CB 0.516 63.697 63.200 -0.032 0.000 0.964 342 S HN 0.142 nan 8.310 nan 0.000 0.485 343 P HA 0.212 nan 4.420 nan 0.000 0.276 343 P C -0.916 176.280 177.300 -0.172 0.000 1.235 343 P CA -0.320 62.701 63.100 -0.132 0.000 0.772 343 P CB 0.688 32.335 31.700 -0.087 0.000 0.871 344 V N 5.629 125.353 119.914 -0.315 0.000 2.417 344 V HA 0.559 4.679 4.120 -0.000 0.000 0.291 344 V C 0.651 176.642 176.094 -0.172 0.000 1.024 344 V CA -0.336 61.801 62.300 -0.271 0.000 0.861 344 V CB 1.004 32.578 31.823 -0.416 0.000 0.985 344 V HN 0.707 nan 8.190 nan 0.000 0.436 345 R N 2.296 122.712 120.500 -0.141 0.000 2.781 345 R HA 0.764 5.104 4.340 -0.000 0.000 0.269 345 R C -1.602 174.612 176.300 -0.144 0.000 1.025 345 R CA -0.984 55.058 56.100 -0.098 0.000 0.914 345 R CB 1.489 31.734 30.300 -0.091 0.000 1.236 345 R HN 0.409 nan 8.270 nan 0.000 0.465 346 D N -0.445 119.897 120.400 -0.097 0.000 2.494 346 D HA 0.274 4.914 4.640 -0.000 0.000 0.259 346 D C 0.489 176.686 176.300 -0.172 0.000 1.109 346 D CA -0.687 53.258 54.000 -0.092 0.000 1.040 346 D CB 1.470 42.310 40.800 0.067 0.000 1.175 346 D HN 0.603 nan 8.370 nan 0.000 0.584 347 T N -0.446 113.976 114.554 -0.220 0.000 2.788 347 T HA -0.076 4.273 4.350 -0.000 0.000 0.268 347 T C 0.606 174.940 174.700 -0.611 0.000 1.044 347 T CA 1.184 63.029 62.100 -0.424 0.000 1.139 347 T CB -0.153 68.384 68.868 -0.553 0.000 0.867 347 T HN 0.292 nan 8.240 nan 0.000 0.454 348 H N -0.834 118.077 119.070 -0.265 0.000 2.812 348 H HA 0.621 5.177 4.556 -0.000 0.000 0.355 348 H C -0.589 174.396 175.328 -0.571 0.000 1.207 348 H CA -0.987 54.810 56.048 -0.418 0.000 1.217 348 H CB 1.449 30.881 29.762 -0.549 0.000 1.874 348 H HN 0.070 nan 8.280 nan 0.000 0.581 349 V N 1.423 121.130 119.914 -0.345 0.000 2.394 349 V HA 0.352 4.472 4.120 -0.000 0.000 0.282 349 V C -1.509 174.349 176.094 -0.392 0.000 1.031 349 V CA -0.439 61.674 62.300 -0.310 0.000 0.881 349 V CB 0.094 31.848 31.823 -0.115 0.000 0.982 349 V HN 0.497 nan 8.190 nan 0.000 0.451 350 Y N 6.724 127.049 120.300 0.043 0.000 2.388 350 Y HA 0.507 5.056 4.550 -0.000 0.000 0.328 350 Y C -1.810 174.103 175.900 0.022 0.000 0.963 350 Y CA -2.513 55.603 58.100 0.028 0.000 1.240 350 Y CB 1.634 40.111 38.460 0.027 0.000 1.118 350 Y HN 0.461 nan 8.280 nan 0.000 0.484 351 P HA -0.154 nan 4.420 nan 0.000 0.216 351 P C -0.111 177.235 177.300 0.076 0.000 1.150 351 P CA 1.643 64.789 63.100 0.077 0.000 0.843 351 P CB 0.381 32.112 31.700 0.052 0.000 0.787 352 S N -2.688 113.064 115.700 0.087 0.000 2.565 352 S HA 0.675 5.145 4.470 -0.000 0.000 0.269 352 S C -1.567 173.061 174.600 0.047 0.000 1.153 352 S CA -0.903 57.330 58.200 0.056 0.000 0.835 352 S CB 0.970 64.187 63.200 0.029 0.000 1.122 352 S HN -0.113 nan 8.310 nan 0.000 0.462 353 L N 1.762 122.997 121.223 0.019 0.000 2.545 353 L HA 0.473 4.812 4.340 -0.000 0.000 0.258 353 L C -1.297 175.564 176.870 -0.014 0.000 0.942 353 L CA -0.903 53.929 54.840 -0.012 0.000 0.855 353 L CB 2.299 44.335 42.059 -0.039 0.000 1.374 353 L HN 0.951 nan 8.230 nan 0.000 0.411 354 D N 1.025 121.412 120.400 -0.022 0.000 2.478 354 D HA 0.198 4.838 4.640 -0.000 0.000 0.269 354 D C 1.213 177.500 176.300 -0.022 0.000 1.232 354 D CA -0.359 53.630 54.000 -0.019 0.000 1.059 354 D CB 0.671 41.460 40.800 -0.018 0.000 1.104 354 D HN 0.302 nan 8.370 nan 0.000 0.566 355 V N -1.701 118.202 119.914 -0.018 0.000 2.392 355 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 355 V C 2.538 178.617 176.094 -0.026 0.000 1.059 355 V CA 2.103 64.393 62.300 -0.017 0.000 1.051 355 V CB -1.077 30.737 31.823 -0.015 0.000 0.658 355 V HN 0.641 nan 8.190 nan 0.000 0.455 356 R N 1.446 121.928 120.500 -0.029 0.000 2.083 356 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 356 R C 2.387 178.656 176.300 -0.051 0.000 1.137 356 R CA 2.104 58.184 56.100 -0.034 0.000 0.951 356 R CB -1.087 29.196 30.300 -0.028 0.000 0.851 356 R HN 0.576 nan 8.270 nan 0.000 0.434 357 G N 0.880 109.641 108.800 -0.064 0.000 2.418 357 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 357 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 357 G C 1.473 176.295 174.900 -0.130 0.000 1.158 357 G CA 0.991 46.025 45.100 -0.109 0.000 0.771 357 G HN 0.304 nan 8.290 nan 0.000 0.545 358 I N -0.056 120.466 120.570 -0.080 0.000 2.163 358 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 358 I C 2.734 178.827 176.117 -0.040 0.000 1.085 358 I CA 1.411 62.681 61.300 -0.051 0.000 1.347 358 I CB -0.203 37.795 38.000 -0.002 0.000 1.044 358 I HN 0.189 nan 8.210 nan 0.000 0.408 359 M N 0.656 120.236 119.600 -0.034 0.000 2.084 359 M HA -0.303 4.177 4.480 -0.000 0.000 0.259 359 M C 2.401 178.675 176.300 -0.044 0.000 1.072 359 M CA 2.034 57.316 55.300 -0.030 0.000 1.107 359 M CB -0.678 31.904 32.600 -0.030 0.000 1.299 359 M HN 0.215 nan 8.290 nan 0.000 0.413 360 Q N -0.255 119.508 119.800 -0.061 0.000 2.077 360 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 360 Q C 1.567 177.522 176.000 -0.074 0.000 0.989 360 Q CA 2.087 57.852 55.803 -0.064 0.000 0.853 360 Q CB -0.143 28.551 28.738 -0.072 0.000 0.907 360 Q HN 0.539 nan 8.270 nan 0.000 0.418 361 K N -0.274 120.045 120.400 -0.134 0.000 2.404 361 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 361 K C 0.173 176.742 176.600 -0.052 0.000 1.023 361 K CA 0.382 56.569 56.287 -0.167 0.000 1.094 361 K CB 0.527 32.706 32.500 -0.535 0.000 0.841 361 K HN 0.070 nan 8.250 nan 0.000 0.523 362 S N 1.122 116.806 115.700 -0.027 0.000 3.711 362 S HA -0.153 4.316 4.470 -0.000 0.000 0.374 362 S C -0.211 174.413 174.600 0.039 0.000 0.969 362 S CA 0.277 58.492 58.200 0.026 0.000 1.198 362 S CB -1.275 61.959 63.200 0.057 0.000 0.903 362 S HN 0.426 nan 8.310 nan 0.000 0.493 363 S N 0.942 116.657 115.700 0.025 0.000 2.481 363 S HA 0.315 4.785 4.470 -0.000 0.000 0.276 363 S C 1.363 175.987 174.600 0.041 0.000 1.247 363 S CA -0.574 57.658 58.200 0.054 0.000 1.053 363 S CB 0.394 63.624 63.200 0.051 0.000 0.925 363 S HN 0.556 nan 8.310 nan 0.000 0.491 364 N N 4.255 122.914 118.700 -0.069 0.000 2.080 364 N HA -0.108 4.632 4.740 -0.000 0.000 0.189 364 N C 1.880 177.397 175.510 0.011 0.000 1.036 364 N CA 1.258 54.146 53.050 -0.269 0.000 0.846 364 N CB -0.829 37.132 38.487 -0.877 0.000 1.015 364 N HN 0.483 nan 8.380 nan 0.000 0.423 365 V N 1.034 120.990 119.914 0.070 0.000 2.252 365 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 365 V C 2.449 178.672 176.094 0.215 0.000 1.056 365 V CA 2.206 64.657 62.300 0.252 0.000 1.022 365 V CB -1.397 30.571 31.823 0.241 0.000 0.641 365 V HN 0.378 nan 8.190 nan 0.000 0.445 366 G N -0.700 108.186 108.800 0.143 0.000 2.421 366 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 366 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 366 G C 1.690 176.673 174.900 0.139 0.000 1.171 366 G CA 1.466 46.631 45.100 0.108 0.000 0.775 366 G HN 0.469 nan 8.290 nan 0.000 0.543 367 T N 1.678 116.337 114.554 0.176 0.000 2.684 367 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 367 T C 2.884 177.757 174.700 0.287 0.000 1.036 367 T CA 2.076 64.314 62.100 0.230 0.000 1.148 367 T CB -0.431 68.603 68.868 0.276 0.000 0.863 367 T HN 0.524 nan 8.240 nan 0.000 0.436 368 S N 1.447 117.366 115.700 0.366 0.000 2.423 368 S HA -0.010 4.459 4.470 -0.000 0.000 0.231 368 S C 1.873 176.652 174.600 0.297 0.000 1.014 368 S CA 0.673 59.104 58.200 0.385 0.000 0.965 368 S CB -0.268 63.247 63.200 0.525 0.000 0.785 368 S HN 0.466 nan 8.310 nan 0.000 0.495 369 K N 0.938 121.469 120.400 0.218 0.000 2.116 369 K HA 0.216 4.536 4.320 -0.000 0.000 0.203 369 K C 2.025 178.684 176.600 0.098 0.000 1.052 369 K CA 0.841 57.188 56.287 0.101 0.000 0.952 369 K CB -0.359 32.127 32.500 -0.023 0.000 0.729 369 K HN 0.355 nan 8.250 nan 0.000 0.446 370 L N 0.737 122.037 121.223 0.127 0.000 2.056 370 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 370 L C 2.720 179.732 176.870 0.237 0.000 1.078 370 L CA 1.191 56.113 54.840 0.137 0.000 0.749 370 L CB -0.591 41.552 42.059 0.140 0.000 0.901 370 L HN 0.222 nan 8.230 nan 0.000 0.433 371 S N 0.538 116.403 115.700 0.275 0.000 2.370 371 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 371 S C 2.077 176.876 174.600 0.331 0.000 1.033 371 S CA 1.155 59.560 58.200 0.342 0.000 1.011 371 S CB -0.246 63.127 63.200 0.289 0.000 0.852 371 S HN 0.381 nan 8.310 nan 0.000 0.457 372 A N 1.206 124.165 122.820 0.232 0.000 2.225 372 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 372 A C 2.110 179.749 177.584 0.093 0.000 1.164 372 A CA 0.811 52.955 52.037 0.179 0.000 0.710 372 A CB -0.526 18.571 19.000 0.162 0.000 0.780 372 A HN 0.688 nan 8.150 nan 0.000 0.473 373 R N -1.751 118.763 120.500 0.023 0.000 2.310 373 R HA 0.202 4.542 4.340 -0.000 0.000 0.202 373 R C -0.800 175.266 176.300 -0.390 0.000 0.933 373 R CA 0.066 56.048 56.100 -0.198 0.000 1.054 373 R CB 0.039 30.152 30.300 -0.311 0.000 0.985 373 R HN 0.501 nan 8.270 nan 0.000 0.489 374 F N -0.326 119.635 119.950 0.019 0.000 2.507 374 F HA 0.437 4.964 4.527 -0.000 0.000 0.327 374 F C 1.236 177.054 175.800 0.030 0.000 1.068 374 F CA -1.090 56.911 58.000 0.001 0.000 0.965 374 F CB 1.106 40.092 39.000 -0.024 0.000 1.192 374 F HN -0.127 nan 8.300 nan 0.000 0.476 375 G N 0.337 109.251 108.800 0.190 0.000 2.527 375 G HA2 0.376 4.336 3.960 -0.000 0.000 0.248 375 G HA3 0.376 4.336 3.960 -0.000 0.000 0.248 375 G C 0.772 175.731 174.900 0.098 0.000 1.231 375 G CA -0.043 45.117 45.100 0.100 0.000 0.838 375 G HN 0.943 nan 8.290 nan 0.000 0.570 376 A N 0.487 123.372 122.820 0.110 0.000 1.892 376 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 376 A C 2.082 179.494 177.584 -0.288 0.000 1.188 376 A CA 2.214 54.316 52.037 0.108 0.000 0.631 376 A CB -0.591 18.535 19.000 0.211 0.000 0.822 376 A HN 0.800 nan 8.150 nan 0.000 0.447 377 E N 0.036 119.838 120.200 -0.663 0.000 2.051 377 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 377 E C 2.067 178.333 176.600 -0.557 0.000 0.991 377 E CA 1.405 57.041 56.400 -1.274 0.000 0.799 377 E CB -0.201 28.370 29.700 -1.882 0.000 0.748 377 E HN 0.876 nan 8.360 nan 0.000 0.449 378 E N -0.171 119.843 120.200 -0.311 0.000 2.150 378 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 378 E C 2.038 178.551 176.600 -0.145 0.000 0.985 378 E CA 0.798 57.100 56.400 -0.163 0.000 0.814 378 E CB -0.166 29.501 29.700 -0.056 0.000 0.752 378 E HN 0.238 nan 8.360 nan 0.000 0.466 379 M N 0.555 120.104 119.600 -0.085 0.000 2.099 379 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 379 M C 2.221 178.506 176.300 -0.024 0.000 1.067 379 M CA 1.350 56.590 55.300 -0.101 0.000 1.124 379 M CB -1.192 31.505 32.600 0.162 0.000 1.353 379 M HN 0.217 nan 8.290 nan 0.000 0.410 380 Y N 1.794 122.118 120.300 0.040 0.000 2.114 380 Y HA -0.305 4.244 4.550 -0.000 0.000 0.282 380 Y C 1.904 177.855 175.900 0.085 0.000 1.165 380 Y CA 2.133 60.318 58.100 0.141 0.000 1.148 380 Y CB -0.338 38.007 38.460 -0.190 0.000 0.972 380 Y HN 0.278 nan 8.280 nan 0.000 0.504 381 D N -0.402 120.036 120.400 0.064 0.000 2.144 381 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 381 D C 1.927 178.230 176.300 0.003 0.000 0.984 381 D CA 1.352 55.368 54.000 0.027 0.000 0.834 381 D CB -0.696 40.102 40.800 -0.003 0.000 0.955 381 D HN 0.430 nan 8.370 nan 0.000 0.465 382 F N 0.779 120.596 119.950 -0.221 0.000 2.075 382 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 382 F C 1.976 177.653 175.800 -0.206 0.000 1.113 382 F CA 1.285 59.116 58.000 -0.282 0.000 1.218 382 F CB -0.684 38.047 39.000 -0.448 0.000 0.984 382 F HN -0.088 nan 8.300 nan 0.000 0.472 383 Y N -0.277 119.877 120.300 -0.242 0.000 2.165 383 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 383 Y C 2.718 178.407 175.900 -0.352 0.000 1.155 383 Y CA 1.795 59.677 58.100 -0.364 0.000 1.164 383 Y CB -1.681 36.703 38.460 -0.126 0.000 0.978 383 Y HN 0.339 nan 8.280 nan 0.000 0.513 384 H N 0.576 119.498 119.070 -0.247 0.000 2.353 384 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 384 H C 2.078 177.280 175.328 -0.210 0.000 1.090 384 H CA 2.104 57.994 56.048 -0.264 0.000 1.327 384 H CB -0.112 29.449 29.762 -0.335 0.000 1.383 384 H HN 0.542 nan 8.280 nan 0.000 0.508 385 E N 0.258 120.323 120.200 -0.224 0.000 2.347 385 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 385 E C 1.675 178.073 176.600 -0.336 0.000 1.008 385 E CA 0.784 57.033 56.400 -0.250 0.000 0.852 385 E CB -0.215 29.409 29.700 -0.127 0.000 0.783 385 E HN 0.528 nan 8.360 nan 0.000 0.505 386 L N 0.422 121.376 121.223 -0.448 0.000 2.552 386 L HA 0.150 4.490 4.340 -0.000 0.000 0.227 386 L C 1.415 178.074 176.870 -0.352 0.000 1.146 386 L CA 0.604 55.161 54.840 -0.470 0.000 0.858 386 L CB -0.216 41.429 42.059 -0.690 0.000 0.969 386 L HN 0.513 nan 8.230 nan 0.000 0.451 387 G N 0.638 109.233 108.800 -0.341 0.000 2.132 387 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.234 387 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.234 387 G C 0.184 174.943 174.900 -0.234 0.000 0.989 387 G CA -0.364 44.564 45.100 -0.287 0.000 0.676 387 G HN 0.270 nan 8.290 nan 0.000 0.522 388 I N 0.510 120.940 120.570 -0.232 0.000 2.441 388 I HA 0.430 4.600 4.170 -0.000 0.000 0.287 388 I C 1.702 177.763 176.117 -0.094 0.000 1.049 388 I CA 1.128 62.331 61.300 -0.161 0.000 1.381 388 I CB 1.025 38.919 38.000 -0.176 0.000 1.409 388 I HN 0.808 nan 8.210 nan 0.000 0.523 389 G N 4.590 113.358 108.800 -0.054 0.000 2.176 389 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.253 389 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.253 389 G C 0.077 174.997 174.900 0.034 0.000 0.979 389 G CA 0.164 45.274 45.100 0.016 0.000 0.641 389 G HN 0.681 nan 8.290 nan 0.000 0.530 390 V N -2.872 117.028 119.914 -0.023 0.000 3.019 390 V HA 0.829 4.948 4.120 -0.000 0.000 0.317 390 V C 0.668 176.723 176.094 -0.066 0.000 1.094 390 V CA -1.721 60.569 62.300 -0.016 0.000 1.000 390 V CB 1.577 33.382 31.823 -0.029 0.000 1.060 390 V HN 0.309 nan 8.190 nan 0.000 0.443 391 R N 0.989 121.431 120.500 -0.096 0.000 2.438 391 R HA 0.320 4.660 4.340 -0.000 0.000 0.287 391 R C 1.168 177.353 176.300 -0.192 0.000 1.077 391 R CA -0.080 55.889 56.100 -0.218 0.000 1.034 391 R CB 0.845 30.874 30.300 -0.451 0.000 0.993 391 R HN 0.953 nan 8.270 nan 0.000 0.459 392 M N 2.378 121.901 119.600 -0.130 0.000 2.159 392 M HA -0.181 4.298 4.480 -0.000 0.000 0.263 392 M C -0.228 176.111 176.300 0.067 0.000 1.063 392 M CA 1.657 56.944 55.300 -0.023 0.000 1.110 392 M CB 0.143 32.756 32.600 0.021 0.000 1.374 392 M HN 0.675 nan 8.290 nan 0.000 0.411 393 H N 0.090 119.192 119.070 0.054 0.000 2.819 393 H HA -0.108 4.447 4.556 -0.000 0.000 0.323 393 H C 1.304 176.685 175.328 0.087 0.000 1.243 393 H CA 0.726 56.811 56.048 0.061 0.000 1.163 393 H CB -1.995 27.789 29.762 0.036 0.000 1.493 393 H HN 0.653 nan 8.280 nan 0.000 0.434 394 S N -0.980 114.840 115.700 0.201 0.000 2.406 394 S HA 0.075 4.544 4.470 -0.000 0.000 0.228 394 S C 2.032 176.791 174.600 0.266 0.000 1.020 394 S CA 1.375 59.724 58.200 0.249 0.000 0.965 394 S CB 0.509 63.950 63.200 0.400 0.000 0.798 394 S HN 1.190 nan 8.310 nan 0.000 0.488 395 G N -0.239 108.682 108.800 0.202 0.000 2.192 395 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.193 395 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.193 395 G C -0.165 174.622 174.900 -0.188 0.000 0.999 395 G CA -0.274 44.906 45.100 0.134 0.000 0.659 395 G HN 0.435 nan 8.290 nan 0.000 0.503 396 F N 3.004 122.953 119.950 -0.002 0.000 2.396 396 F HA 0.547 5.074 4.527 -0.000 0.000 0.343 396 F C -1.016 174.759 175.800 -0.041 0.000 1.104 396 F CA -2.099 55.855 58.000 -0.076 0.000 1.161 396 F CB 1.139 40.113 39.000 -0.044 0.000 1.146 396 F HN -0.101 nan 8.300 nan 0.000 0.522 397 P HA 0.251 nan 4.420 nan 0.000 0.276 397 P C 0.413 177.751 177.300 0.063 0.000 1.252 397 P CA -0.102 63.040 63.100 0.070 0.000 0.802 397 P CB 1.129 32.846 31.700 0.028 0.000 1.035 398 G N -0.217 108.600 108.800 0.028 0.000 2.148 398 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 398 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 398 G C 0.091 174.989 174.900 -0.004 0.000 0.981 398 G CA -0.064 45.041 45.100 0.008 0.000 0.670 398 G HN 0.630 nan 8.290 nan 0.000 0.528 399 E N 0.819 121.020 120.200 0.002 0.000 2.465 399 E HA 0.286 4.636 4.350 -0.000 0.000 0.260 399 E C 0.872 177.447 176.600 -0.041 0.000 0.980 399 E CA 0.764 57.151 56.400 -0.021 0.000 0.927 399 E CB 0.501 30.180 29.700 -0.035 0.000 0.934 399 E HN 0.196 nan 8.360 nan 0.000 0.459 400 T N 1.534 116.060 114.554 -0.045 0.000 2.899 400 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 400 T C 0.951 175.618 174.700 -0.055 0.000 1.033 400 T CA 0.104 62.178 62.100 -0.045 0.000 1.084 400 T CB 1.118 69.960 68.868 -0.044 0.000 0.979 400 T HN 0.517 nan 8.240 nan 0.000 0.532 401 A N 2.943 125.737 122.820 -0.043 0.000 2.021 401 A HA 0.535 4.855 4.320 -0.000 0.000 0.216 401 A C 1.481 179.043 177.584 -0.036 0.000 1.163 401 A CA 1.053 53.066 52.037 -0.041 0.000 0.676 401 A CB -1.313 17.679 19.000 -0.014 0.000 0.818 401 A HN 1.835 nan 8.150 nan 0.000 0.453 402 G N -1.579 107.200 108.800 -0.035 0.000 2.632 402 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.224 402 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.224 402 G C -0.583 174.308 174.900 -0.015 0.000 1.341 402 G CA -0.081 44.996 45.100 -0.038 0.000 0.880 402 G HN 1.115 nan 8.290 nan 0.000 0.566 403 L N -0.344 120.869 121.223 -0.016 0.000 2.596 403 L HA 0.662 5.001 4.340 -0.000 0.000 0.265 403 L C -1.538 175.349 176.870 0.027 0.000 0.962 403 L CA -0.668 54.181 54.840 0.014 0.000 0.891 403 L CB 1.317 43.374 42.059 -0.003 0.000 1.248 403 L HN 1.044 nan 8.230 nan 0.000 0.410 404 L N 5.749 127.035 121.223 0.104 0.000 2.442 404 L HA 0.507 4.846 4.340 -0.000 0.000 0.261 404 L C -0.139 176.957 176.870 0.377 0.000 1.000 404 L CA -0.328 54.632 54.840 0.201 0.000 0.882 404 L CB 0.883 43.032 42.059 0.151 0.000 1.207 404 L HN 0.502 nan 8.230 nan 0.000 0.443 405 R N 2.355 123.091 120.500 0.392 0.000 2.638 405 R HA 0.012 4.352 4.340 -0.000 0.000 0.268 405 R C 0.300 176.994 176.300 0.657 0.000 1.006 405 R CA 0.003 56.376 56.100 0.456 0.000 1.088 405 R CB 0.015 30.567 30.300 0.419 0.000 0.950 405 R HN 0.707 nan 8.270 nan 0.000 0.419 406 N N 3.333 122.197 118.700 0.273 0.000 2.483 406 N HA -0.066 4.674 4.740 -0.000 0.000 0.264 406 N C 1.334 176.561 175.510 -0.472 0.000 1.197 406 N CA -0.102 52.852 53.050 -0.159 0.000 0.927 406 N CB 0.488 38.797 38.487 -0.297 0.000 1.065 406 N HN 0.645 nan 8.380 nan 0.000 0.461 407 W N 5.547 126.195 121.300 -1.087 0.000 2.350 407 W HA -0.128 4.532 4.660 -0.000 0.000 0.289 407 W C 1.014 177.068 176.519 -0.774 0.000 1.215 407 W CA 0.203 56.614 57.345 -1.556 0.000 1.236 407 W CB -0.694 27.962 29.460 -1.340 0.000 1.130 407 W HN 0.568 nan 8.180 nan 0.000 0.541 408 R N 0.756 120.521 120.500 -1.226 0.000 2.193 408 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 408 R C 2.199 178.281 176.300 -0.363 0.000 1.110 408 R CA 1.382 56.936 56.100 -0.910 0.000 0.988 408 R CB -0.324 29.347 30.300 -1.049 0.000 0.871 408 R HN 0.223 nan 8.270 nan 0.000 0.458 409 R N -0.849 119.510 120.500 -0.235 0.000 2.362 409 R HA 0.045 4.385 4.340 -0.000 0.000 0.227 409 R C -0.407 176.023 176.300 0.216 0.000 0.905 409 R CA -0.297 55.799 56.100 -0.006 0.000 1.067 409 R CB 0.356 30.662 30.300 0.010 0.000 1.078 409 R HN 0.028 nan 8.270 nan 0.000 0.516 410 W N 2.453 123.776 121.300 0.038 0.000 2.216 410 W HA 0.187 4.847 4.660 -0.000 0.000 0.326 410 W C 0.712 177.275 176.519 0.074 0.000 1.319 410 W CA -0.823 56.574 57.345 0.086 0.000 1.213 410 W CB 0.054 29.610 29.460 0.159 0.000 1.171 410 W HN -0.138 nan 8.180 nan 0.000 0.557 411 R N 3.836 124.496 120.500 0.266 0.000 2.560 411 R HA 0.139 4.479 4.340 -0.000 0.000 0.270 411 R C -1.236 175.182 176.300 0.195 0.000 1.074 411 R CA -1.368 54.842 56.100 0.183 0.000 1.140 411 R CB -0.031 30.332 30.300 0.105 0.000 1.073 411 R HN 0.125 nan 8.270 nan 0.000 0.527 412 P HA -0.206 nan 4.420 nan 0.000 0.216 412 P C 1.131 178.500 177.300 0.115 0.000 1.150 412 P CA 1.002 64.203 63.100 0.167 0.000 0.843 412 P CB 0.065 31.853 31.700 0.147 0.000 0.787 413 I N 0.046 120.659 120.570 0.071 0.000 2.335 413 I HA -0.224 3.945 4.170 -0.000 0.000 0.251 413 I C 1.862 177.954 176.117 -0.043 0.000 1.129 413 I CA 1.660 62.973 61.300 0.021 0.000 1.402 413 I CB -0.692 37.312 38.000 0.007 0.000 1.069 413 I HN -0.048 nan 8.210 nan 0.000 0.424 414 E N -0.475 119.690 120.200 -0.059 0.000 2.107 414 E HA -0.273 4.076 4.350 -0.000 0.000 0.191 414 E C 2.092 178.499 176.600 -0.323 0.000 0.982 414 E CA 1.053 57.334 56.400 -0.200 0.000 0.809 414 E CB -0.231 29.332 29.700 -0.228 0.000 0.756 414 E HN 0.620 nan 8.360 nan 0.000 0.459 415 Q N 0.714 120.409 119.800 -0.175 0.000 2.135 415 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 415 Q C 2.013 177.977 176.000 -0.060 0.000 0.981 415 Q CA 1.648 57.391 55.803 -0.102 0.000 0.856 415 Q CB -0.082 28.806 28.738 0.251 0.000 0.902 415 Q HN 0.245 nan 8.270 nan 0.000 0.425 416 A N -0.149 122.646 122.820 -0.042 0.000 1.832 416 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 416 A C 2.272 179.584 177.584 -0.454 0.000 1.200 416 A CA 1.805 53.825 52.037 -0.028 0.000 0.610 416 A CB -1.287 17.779 19.000 0.111 0.000 0.842 416 A HN 0.465 nan 8.150 nan 0.000 0.444 417 T N 0.065 114.249 114.554 -0.617 0.000 2.684 417 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 417 T C 1.868 176.087 174.700 -0.802 0.000 1.032 417 T CA 2.187 63.687 62.100 -0.999 0.000 1.155 417 T CB -0.390 68.230 68.868 -0.413 0.000 0.857 417 T HN 0.417 nan 8.240 nan 0.000 0.457 418 M N 0.792 120.098 119.600 -0.491 0.000 2.254 418 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 418 M C 2.631 178.789 176.300 -0.236 0.000 1.066 418 M CA 1.374 56.443 55.300 -0.386 0.000 1.123 418 M CB -0.248 32.083 32.600 -0.449 0.000 1.388 418 M HN 0.372 nan 8.290 nan 0.000 0.425 419 S N 1.063 116.708 115.700 -0.093 0.000 2.419 419 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 419 S C 1.142 175.872 174.600 0.217 0.000 1.016 419 S CA 0.756 59.058 58.200 0.170 0.000 0.974 419 S CB -0.860 62.488 63.200 0.247 0.000 0.786 419 S HN 0.608 nan 8.310 nan 0.000 0.492 420 F N 0.145 120.189 119.950 0.158 0.000 2.819 420 F HA 0.752 5.279 4.527 -0.000 0.000 0.294 420 F C 1.222 177.137 175.800 0.191 0.000 1.166 420 F CA -0.678 57.428 58.000 0.176 0.000 1.374 420 F CB -0.383 38.727 39.000 0.183 0.000 0.956 420 F HN 0.208 nan 8.300 nan 0.000 0.509 421 G N 0.009 108.845 108.800 0.060 0.000 2.147 421 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 421 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 421 G C -0.546 174.146 174.900 -0.348 0.000 1.005 421 G CA -0.009 45.016 45.100 -0.126 0.000 0.713 421 G HN 0.533 nan 8.290 nan 0.000 0.515 422 Y N -0.899 119.305 120.300 -0.160 0.000 2.393 422 Y HA 0.504 5.054 4.550 -0.000 0.000 0.341 422 Y C 1.323 177.098 175.900 -0.209 0.000 0.988 422 Y CA 0.193 58.210 58.100 -0.138 0.000 1.078 422 Y CB 2.223 40.636 38.460 -0.079 0.000 1.203 422 Y HN 0.894 nan 8.280 nan 0.000 0.453 423 G N 1.888 110.666 108.800 -0.038 0.000 2.176 423 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 423 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 423 G C -0.478 174.339 174.900 -0.138 0.000 0.979 423 G CA 0.175 45.222 45.100 -0.088 0.000 0.641 423 G HN 0.743 nan 8.290 nan 0.000 0.530 424 L N -3.144 117.970 121.223 -0.180 0.000 2.354 424 L HA 0.982 5.321 4.340 -0.000 0.000 0.264 424 L C -0.600 176.172 176.870 -0.165 0.000 1.008 424 L CA -1.271 53.462 54.840 -0.177 0.000 0.819 424 L CB 1.874 43.764 42.059 -0.281 0.000 1.339 424 L HN 0.084 nan 8.230 nan 0.000 0.420 425 Q N 3.173 122.898 119.800 -0.126 0.000 2.421 425 Q HA 0.806 5.146 4.340 -0.000 0.000 0.280 425 Q C -1.367 174.572 176.000 -0.101 0.000 1.085 425 Q CA -0.852 54.885 55.803 -0.111 0.000 0.807 425 Q CB 3.475 32.165 28.738 -0.079 0.000 1.405 425 Q HN 0.791 nan 8.270 nan 0.000 0.419 426 L N -2.076 119.089 121.223 -0.096 0.000 2.671 426 L HA 0.752 5.092 4.340 -0.000 0.000 0.259 426 L C -0.691 176.137 176.870 -0.071 0.000 1.021 426 L CA -0.984 53.805 54.840 -0.085 0.000 0.871 426 L CB 1.959 43.958 42.059 -0.100 0.000 1.472 426 L HN 0.713 nan 8.230 nan 0.000 0.410 427 S N 0.501 116.164 115.700 -0.063 0.000 2.632 427 S HA 0.323 4.793 4.470 -0.000 0.000 0.271 427 S C 0.806 175.377 174.600 -0.048 0.000 1.260 427 S CA -0.551 57.614 58.200 -0.059 0.000 1.010 427 S CB 1.667 64.830 63.200 -0.062 0.000 0.965 427 S HN 0.785 nan 8.310 nan 0.000 0.534 428 L N 1.037 122.231 121.223 -0.049 0.000 2.081 428 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 428 L C 2.099 178.959 176.870 -0.017 0.000 1.080 428 L CA 1.608 56.427 54.840 -0.034 0.000 0.754 428 L CB -0.968 41.066 42.059 -0.042 0.000 0.893 428 L HN 0.838 nan 8.230 nan 0.000 0.433 429 L N -1.025 120.179 121.223 -0.030 0.000 2.093 429 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 429 L C 2.447 179.327 176.870 0.017 0.000 1.085 429 L CA 1.645 56.481 54.840 -0.007 0.000 0.755 429 L CB -0.534 41.506 42.059 -0.032 0.000 0.904 429 L HN 0.410 nan 8.230 nan 0.000 0.435 430 Q N -1.385 118.412 119.800 -0.006 0.000 2.083 430 Q HA -0.189 4.151 4.340 -0.000 0.000 0.198 430 Q C 2.145 178.145 176.000 0.001 0.000 0.969 430 Q CA 1.420 57.213 55.803 -0.017 0.000 0.838 430 Q CB -0.274 28.432 28.738 -0.053 0.000 0.900 430 Q HN 0.407 nan 8.270 nan 0.000 0.436 431 L N 0.903 122.138 121.223 0.021 0.000 1.989 431 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 431 L C 2.212 179.210 176.870 0.214 0.000 1.071 431 L CA 2.207 57.106 54.840 0.099 0.000 0.749 431 L CB -0.953 41.151 42.059 0.075 0.000 0.890 431 L HN 0.141 nan 8.230 nan 0.000 0.431 432 A N -0.461 122.438 122.820 0.132 0.000 1.892 432 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 432 A C 2.565 180.272 177.584 0.206 0.000 1.188 432 A CA 2.069 54.198 52.037 0.153 0.000 0.631 432 A CB -0.751 18.302 19.000 0.087 0.000 0.822 432 A HN 0.526 nan 8.150 nan 0.000 0.447 433 R N -0.378 120.203 120.500 0.135 0.000 2.081 433 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 433 R C 2.312 178.686 176.300 0.123 0.000 1.131 433 R CA 1.465 57.630 56.100 0.108 0.000 0.960 433 R CB -0.482 29.849 30.300 0.053 0.000 0.856 433 R HN 0.441 nan 8.270 nan 0.000 0.436 434 A N 0.276 123.156 122.820 0.100 0.000 1.917 434 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 434 A C 1.925 179.696 177.584 0.312 0.000 1.182 434 A CA 1.485 53.529 52.037 0.011 0.000 0.633 434 A CB -0.959 17.886 19.000 -0.259 0.000 0.819 434 A HN 0.555 nan 8.150 nan 0.000 0.448 435 Y N 0.968 121.485 120.300 0.363 0.000 2.403 435 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 435 Y C 2.954 178.970 175.900 0.194 0.000 1.143 435 Y CA 1.623 59.941 58.100 0.362 0.000 1.257 435 Y CB -0.499 38.145 38.460 0.307 0.000 0.984 435 Y HN 0.561 nan 8.280 nan 0.000 0.550 436 T N -3.114 111.598 114.554 0.263 0.000 2.977 436 T HA -0.152 4.198 4.350 -0.000 0.000 0.271 436 T C 1.969 176.775 174.700 0.176 0.000 1.105 436 T CA 0.846 63.046 62.100 0.167 0.000 1.116 436 T CB -0.372 68.563 68.868 0.112 0.000 0.878 436 T HN 0.313 nan 8.240 nan 0.000 0.509 437 A N 1.226 124.177 122.820 0.218 0.000 2.016 437 A HA 0.327 4.647 4.320 -0.000 0.000 0.217 437 A C 2.310 180.063 177.584 0.281 0.000 1.162 437 A CA 0.718 52.914 52.037 0.264 0.000 0.662 437 A CB -0.559 18.625 19.000 0.307 0.000 0.812 437 A HN 0.555 nan 8.150 nan 0.000 0.450 438 L N -0.405 120.902 121.223 0.141 0.000 2.095 438 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 438 L C 2.889 179.645 176.870 -0.189 0.000 1.080 438 L CA 1.700 56.485 54.840 -0.091 0.000 0.759 438 L CB -0.756 41.139 42.059 -0.274 0.000 0.914 438 L HN 0.577 nan 8.230 nan 0.000 0.439 439 T N -4.792 109.653 114.554 -0.180 0.000 3.009 439 T HA -0.172 4.178 4.350 -0.000 0.000 0.258 439 T C 1.431 176.131 174.700 0.001 0.000 1.063 439 T CA 0.611 62.582 62.100 -0.215 0.000 1.139 439 T CB -0.305 68.448 68.868 -0.192 0.000 0.890 439 T HN 0.338 nan 8.240 nan 0.000 0.471 440 H N 1.483 120.534 119.070 -0.032 0.000 2.577 440 H HA 0.197 4.753 4.556 -0.000 0.000 0.306 440 H C -0.471 174.868 175.328 0.019 0.000 1.109 440 H CA -0.208 55.841 56.048 0.001 0.000 1.063 440 H CB -0.412 29.361 29.762 0.018 0.000 1.535 440 H HN 0.231 nan 8.280 nan 0.000 0.532 441 D N 0.456 120.821 120.400 -0.058 0.000 2.907 441 D HA -0.158 4.482 4.640 -0.000 0.000 0.226 441 D C 1.253 177.563 176.300 0.017 0.000 1.141 441 D CA 1.262 55.223 54.000 -0.065 0.000 0.779 441 D CB -1.575 39.135 40.800 -0.150 0.000 1.095 441 D HN 0.848 nan 8.370 nan 0.000 0.430 442 G N -2.111 106.764 108.800 0.125 0.000 2.176 442 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 442 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 442 G C 0.321 175.301 174.900 0.133 0.000 0.979 442 G CA 0.173 45.430 45.100 0.260 0.000 0.641 442 G HN 0.658 nan 8.290 nan 0.000 0.530 443 V N 1.987 121.957 119.914 0.092 0.000 2.348 443 V HA 0.584 4.704 4.120 -0.000 0.000 0.270 443 V C 0.685 176.868 176.094 0.149 0.000 1.037 443 V CA -0.602 61.757 62.300 0.098 0.000 0.872 443 V CB 1.346 33.232 31.823 0.105 0.000 1.002 443 V HN 0.474 nan 8.190 nan 0.000 0.464 444 L N 7.014 128.277 121.223 0.067 0.000 2.410 444 L HA 0.370 4.709 4.340 -0.000 0.000 0.273 444 L C -0.346 176.550 176.870 0.042 0.000 1.152 444 L CA 0.756 55.624 54.840 0.047 0.000 0.855 444 L CB 0.370 42.410 42.059 -0.030 0.000 1.129 444 L HN 0.492 nan 8.230 nan 0.000 0.463 445 L N 7.000 128.244 121.223 0.034 0.000 2.334 445 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 445 L C -2.055 174.812 176.870 -0.005 0.000 1.020 445 L CA -1.975 52.863 54.840 -0.003 0.000 0.812 445 L CB 1.630 43.651 42.059 -0.064 0.000 1.264 445 L HN 0.553 nan 8.230 nan 0.000 0.439 446 P HA 0.179 nan 4.420 nan 0.000 0.280 446 P C -0.731 176.569 177.300 -0.001 0.000 1.244 446 P CA -0.276 62.821 63.100 -0.004 0.000 0.784 446 P CB 0.772 32.464 31.700 -0.013 0.000 0.913 447 L N 1.783 123.025 121.223 0.032 0.000 2.464 447 L HA 0.271 4.611 4.340 -0.000 0.000 0.264 447 L C 0.853 177.736 176.870 0.021 0.000 1.199 447 L CA 0.287 55.160 54.840 0.055 0.000 0.818 447 L CB 0.175 42.307 42.059 0.122 0.000 1.102 447 L HN 0.411 nan 8.230 nan 0.000 0.473 448 S N 0.302 116.009 115.700 0.012 0.000 2.571 448 S HA 0.366 4.836 4.470 -0.000 0.000 0.284 448 S C 0.099 174.687 174.600 -0.020 0.000 1.128 448 S CA -0.614 57.520 58.200 -0.111 0.000 0.970 448 S CB 1.451 64.573 63.200 -0.130 0.000 1.039 448 S HN 0.523 nan 8.310 nan 0.000 0.485 449 F N 0.283 120.227 119.950 -0.010 0.000 2.749 449 F HA 0.520 5.047 4.527 -0.000 0.000 0.300 449 F C 0.456 176.249 175.800 -0.012 0.000 1.103 449 F CA -0.466 57.533 58.000 -0.002 0.000 1.342 449 F CB 0.121 39.019 39.000 -0.171 0.000 1.098 449 F HN 0.374 nan 8.300 nan 0.000 0.586 450 E N 2.245 122.245 120.200 -0.333 0.000 2.191 450 E HA 0.187 4.536 4.350 -0.000 0.000 0.278 450 E C -0.632 175.906 176.600 -0.104 0.000 0.972 450 E CA -1.001 55.291 56.400 -0.181 0.000 0.804 450 E CB 1.342 30.848 29.700 -0.323 0.000 1.110 450 E HN 0.100 nan 8.360 nan 0.000 0.394 451 K N 2.925 123.303 120.400 -0.037 0.000 2.472 451 K HA -0.063 4.256 4.320 -0.000 0.000 0.280 451 K C -0.543 176.030 176.600 -0.044 0.000 1.028 451 K CA 0.246 56.519 56.287 -0.023 0.000 1.045 451 K CB 0.452 32.949 32.500 -0.004 0.000 0.902 451 K HN 0.324 nan 8.250 nan 0.000 0.478 452 Q N 2.533 122.309 119.800 -0.039 0.000 2.274 452 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 452 Q C 0.452 176.436 176.000 -0.026 0.000 0.974 452 Q CA -0.162 55.615 55.803 -0.044 0.000 0.876 452 Q CB 1.905 30.613 28.738 -0.051 0.000 1.297 452 Q HN 0.799 nan 8.270 nan 0.000 0.446 453 A N 2.231 125.036 122.820 -0.025 0.000 1.897 453 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 453 A C 0.894 178.472 177.584 -0.011 0.000 1.181 453 A CA 1.658 53.687 52.037 -0.015 0.000 0.620 453 A CB 0.165 19.157 19.000 -0.014 0.000 0.821 453 A HN 0.547 nan 8.150 nan 0.000 0.443 454 V N -5.546 114.359 119.914 -0.015 0.000 3.160 454 V HA 0.832 4.952 4.120 -0.000 0.000 0.310 454 V C 0.064 176.144 176.094 -0.024 0.000 1.181 454 V CA -1.221 61.072 62.300 -0.011 0.000 1.047 454 V CB 0.886 32.708 31.823 -0.001 0.000 1.068 454 V HN 0.829 nan 8.190 nan 0.000 0.441 455 A N 2.648 125.452 122.820 -0.026 0.000 2.511 455 A HA 0.621 4.941 4.320 -0.000 0.000 0.242 455 A C -1.540 176.020 177.584 -0.040 0.000 1.069 455 A CA -0.520 51.481 52.037 -0.060 0.000 0.763 455 A CB -0.801 18.140 19.000 -0.097 0.000 1.001 455 A HN 0.899 nan 8.150 nan 0.000 0.498 456 P HA 0.161 nan 4.420 nan 0.000 0.275 456 P C -0.714 176.580 177.300 -0.010 0.000 1.266 456 P CA -0.414 62.666 63.100 -0.034 0.000 0.793 456 P CB 0.434 32.106 31.700 -0.046 0.000 1.074 457 Q N -0.424 119.377 119.800 0.002 0.000 2.373 457 Q HA 0.448 4.788 4.340 -0.000 0.000 0.255 457 Q C 0.639 176.650 176.000 0.019 0.000 0.980 457 Q CA 0.258 56.075 55.803 0.023 0.000 0.882 457 Q CB 0.671 29.418 28.738 0.014 0.000 1.249 457 Q HN 0.675 nan 8.270 nan 0.000 0.438 458 G N 0.872 109.698 108.800 0.043 0.000 3.209 458 G HA2 0.528 4.488 3.960 -0.000 0.000 0.236 458 G HA3 0.528 4.488 3.960 -0.000 0.000 0.236 458 G C -1.145 173.768 174.900 0.021 0.000 1.329 458 G CA -0.497 44.623 45.100 0.034 0.000 1.015 458 G HN 0.388 nan 8.290 nan 0.000 0.571 459 K N 0.105 120.510 120.400 0.008 0.000 2.345 459 K HA 0.417 4.737 4.320 -0.000 0.000 0.255 459 K C -0.402 176.186 176.600 -0.019 0.000 0.934 459 K CA -0.753 55.527 56.287 -0.012 0.000 0.801 459 K CB 1.789 34.268 32.500 -0.035 0.000 1.137 459 K HN 0.463 nan 8.250 nan 0.000 0.424 460 R N 5.421 125.910 120.500 -0.018 0.000 2.351 460 R HA 0.096 4.435 4.340 -0.000 0.000 0.318 460 R C 0.519 176.771 176.300 -0.080 0.000 1.055 460 R CA 0.022 56.107 56.100 -0.025 0.000 0.968 460 R CB 0.306 30.603 30.300 -0.005 0.000 0.974 460 R HN 0.631 nan 8.270 nan 0.000 0.439 461 I N 3.965 124.440 120.570 -0.157 0.000 3.172 461 I HA 0.153 4.322 4.170 -0.000 0.000 0.278 461 I C 0.010 175.840 176.117 -0.479 0.000 1.174 461 I CA 0.439 61.506 61.300 -0.389 0.000 1.445 461 I CB -0.264 37.356 38.000 -0.633 0.000 1.175 461 I HN 0.431 nan 8.210 nan 0.000 0.447 462 F N 0.707 120.701 119.950 0.073 0.000 2.603 462 F HA 0.454 4.981 4.527 -0.000 0.000 0.317 462 F C 0.566 176.379 175.800 0.021 0.000 1.066 462 F CA -1.315 56.715 58.000 0.050 0.000 0.941 462 F CB 0.862 39.894 39.000 0.053 0.000 1.291 462 F HN -0.343 nan 8.300 nan 0.000 0.472 463 K N 1.084 121.619 120.400 0.225 0.000 2.414 463 K HA 0.054 4.374 4.320 -0.000 0.000 0.272 463 K C 0.334 176.993 176.600 0.097 0.000 0.993 463 K CA -0.092 56.264 56.287 0.115 0.000 0.964 463 K CB 0.628 33.174 32.500 0.076 0.000 0.925 463 K HN 0.693 nan 8.250 nan 0.000 0.487 467 A N 1.867 124.624 122.820 -0.105 0.000 1.902 467 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 467 A C 2.110 179.635 177.584 -0.099 0.000 1.181 467 A CA 2.227 54.184 52.037 -0.133 0.000 0.623 467 A CB -0.605 18.379 19.000 -0.026 0.000 0.818 467 A HN 0.406 nan 8.150 nan 0.000 0.443 468 R N -0.094 120.373 120.500 -0.055 0.000 2.080 468 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 468 R C 2.127 178.413 176.300 -0.023 0.000 1.137 468 R CA 2.036 58.119 56.100 -0.029 0.000 0.943 468 R CB -0.327 29.964 30.300 -0.015 0.000 0.846 468 R HN 0.725 nan 8.270 nan 0.000 0.431 469 E N -0.507 119.670 120.200 -0.038 0.000 2.058 469 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 469 E C 2.016 178.592 176.600 -0.041 0.000 0.997 469 E CA 1.697 58.076 56.400 -0.035 0.000 0.801 469 E CB -0.091 29.582 29.700 -0.045 0.000 0.746 469 E HN 0.162 nan 8.360 nan 0.000 0.450 470 V N 1.085 120.948 119.914 -0.085 0.000 2.358 470 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 470 V C 2.305 178.398 176.094 -0.001 0.000 1.047 470 V CA 1.709 63.951 62.300 -0.096 0.000 1.035 470 V CB -0.502 31.183 31.823 -0.229 0.000 0.658 470 V HN 0.192 nan 8.190 nan 0.000 0.452 471 R N 0.189 120.714 120.500 0.042 0.000 2.112 471 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 471 R C 2.410 178.817 176.300 0.178 0.000 1.137 471 R CA 2.097 58.327 56.100 0.216 0.000 0.944 471 R CB -0.652 29.737 30.300 0.148 0.000 0.857 471 R HN 0.620 nan 8.270 nan 0.000 0.435 472 N N 0.601 119.355 118.700 0.090 0.000 2.069 472 N HA -0.191 4.548 4.740 -0.000 0.000 0.191 472 N C 1.713 177.247 175.510 0.040 0.000 1.031 472 N CA 1.254 54.341 53.050 0.063 0.000 0.852 472 N CB 0.028 38.537 38.487 0.036 0.000 1.018 472 N HN 0.042 nan 8.380 nan 0.000 0.423 473 L N 1.347 122.582 121.223 0.020 0.000 2.079 473 L HA -0.054 4.285 4.340 -0.000 0.000 0.210 473 L C 2.514 179.384 176.870 0.000 0.000 1.081 473 L CA 1.293 56.133 54.840 0.000 0.000 0.752 473 L CB -0.687 41.360 42.059 -0.019 0.000 0.896 473 L HN 0.303 nan 8.230 nan 0.000 0.433 474 M N -2.081 117.531 119.600 0.020 0.000 2.319 474 M HA -0.138 4.342 4.480 -0.000 0.000 0.265 474 M C 2.077 178.348 176.300 -0.049 0.000 1.068 474 M CA 0.720 56.014 55.300 -0.011 0.000 1.118 474 M CB -0.104 32.514 32.600 0.029 0.000 1.395 474 M HN 0.062 nan 8.290 nan 0.000 0.435 475 V N 0.324 120.230 119.914 -0.012 0.000 2.392 475 V HA -0.282 3.837 4.120 -0.000 0.000 0.249 475 V C 2.431 178.522 176.094 -0.005 0.000 1.059 475 V CA 2.179 64.475 62.300 -0.007 0.000 1.051 475 V CB -1.130 30.713 31.823 0.032 0.000 0.658 475 V HN 0.633 nan 8.190 nan 0.000 0.455 476 S N -0.168 115.527 115.700 -0.007 0.000 2.440 476 S HA -0.157 4.313 4.470 -0.000 0.000 0.238 476 S C 1.872 176.464 174.600 -0.013 0.000 1.010 476 S CA 1.508 59.702 58.200 -0.009 0.000 0.972 476 S CB -0.591 62.599 63.200 -0.017 0.000 0.774 476 S HN 0.369 nan 8.310 nan 0.000 0.501 477 V N 2.808 122.706 119.914 -0.028 0.000 2.407 477 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 477 V C 2.951 179.047 176.094 0.003 0.000 1.055 477 V CA 2.022 64.302 62.300 -0.033 0.000 1.049 477 V CB -1.472 30.298 31.823 -0.089 0.000 0.662 477 V HN 0.905 nan 8.190 nan 0.000 0.455 478 T N -3.026 111.536 114.554 0.015 0.000 3.060 478 T HA 0.164 4.514 4.350 -0.000 0.000 0.249 478 T C 0.527 175.262 174.700 0.058 0.000 1.079 478 T CA -0.064 62.074 62.100 0.063 0.000 1.013 478 T CB -0.002 68.915 68.868 0.083 0.000 0.975 478 T HN 0.544 nan 8.240 nan 0.000 0.518 479 E N 2.118 122.340 120.200 0.037 0.000 2.283 479 E HA 0.380 4.730 4.350 -0.000 0.000 0.267 479 E C -2.683 173.933 176.600 0.027 0.000 1.045 479 E CA -2.792 53.627 56.400 0.032 0.000 0.884 479 E CB 0.607 30.320 29.700 0.022 0.000 1.106 479 E HN 0.113 nan 8.360 nan 0.000 0.408 480 P HA -0.112 nan 4.420 nan 0.000 0.264 480 P C 0.560 177.866 177.300 0.011 0.000 1.179 480 P CA 1.326 64.438 63.100 0.020 0.000 0.763 480 P CB 0.316 32.025 31.700 0.015 0.000 0.806 481 G N 1.335 110.142 108.800 0.010 0.000 2.253 481 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.251 481 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.251 481 G C 0.644 175.543 174.900 -0.002 0.000 0.998 481 G CA -0.054 45.045 45.100 -0.000 0.000 0.621 481 G HN 0.909 nan 8.290 nan 0.000 0.524 482 G N -0.590 108.217 108.800 0.012 0.000 2.537 482 G HA2 0.544 4.504 3.960 -0.000 0.000 0.273 482 G HA3 0.544 4.504 3.960 -0.000 0.000 0.273 482 G C 1.153 176.081 174.900 0.047 0.000 1.189 482 G CA 1.027 46.136 45.100 0.016 0.000 0.881 482 G HN 0.980 nan 8.290 nan 0.000 0.535 483 T N -2.222 112.365 114.554 0.054 0.000 3.043 483 T HA 0.152 4.501 4.350 -0.000 0.000 0.263 483 T C 1.398 176.219 174.700 0.202 0.000 1.094 483 T CA 0.837 63.008 62.100 0.118 0.000 1.127 483 T CB 0.393 69.336 68.868 0.125 0.000 0.905 483 T HN 0.752 nan 8.240 nan 0.000 0.490 484 G N 1.666 110.546 108.800 0.132 0.000 4.959 484 G HA2 0.365 4.325 3.960 -0.000 0.000 0.297 484 G HA3 0.365 4.325 3.960 -0.000 0.000 0.297 484 G C 0.904 175.951 174.900 0.245 0.000 1.351 484 G CA 0.068 45.298 45.100 0.217 0.000 1.016 484 G HN 0.408 nan 8.290 nan 0.000 0.592 485 T N -2.422 112.236 114.554 0.173 0.000 2.962 485 T HA 0.000 4.350 4.350 -0.000 0.000 0.270 485 T C 2.470 177.236 174.700 0.109 0.000 1.088 485 T CA 1.349 63.522 62.100 0.123 0.000 1.127 485 T CB 0.106 69.026 68.868 0.087 0.000 0.883 485 T HN 0.333 nan 8.240 nan 0.000 0.493 486 A N 1.608 124.498 122.820 0.116 0.000 2.070 486 A HA 0.299 4.619 4.320 -0.000 0.000 0.220 486 A C 2.391 179.930 177.584 -0.076 0.000 1.159 486 A CA 1.157 53.211 52.037 0.029 0.000 0.656 486 A CB -1.151 17.868 19.000 0.032 0.000 0.800 486 A HN 0.625 nan 8.150 nan 0.000 0.453 487 G N -0.833 107.903 108.800 -0.107 0.000 3.314 487 G HA2 0.435 4.395 3.960 -0.000 0.000 0.238 487 G HA3 0.435 4.395 3.960 -0.000 0.000 0.238 487 G C 0.490 175.494 174.900 0.174 0.000 1.184 487 G CA 0.456 45.442 45.100 -0.189 0.000 0.806 487 G HN 0.711 nan 8.290 nan 0.000 0.536 488 A N -0.036 122.858 122.820 0.123 0.000 2.425 488 A HA 0.568 4.888 4.320 -0.000 0.000 0.249 488 A C -0.347 177.306 177.584 0.115 0.000 1.084 488 A CA -0.014 52.101 52.037 0.130 0.000 0.781 488 A CB 0.981 20.035 19.000 0.090 0.000 1.019 488 A HN 0.276 nan 8.150 nan 0.000 0.490 489 V N 3.262 123.259 119.914 0.138 0.000 2.444 489 V HA 0.165 4.285 4.120 -0.000 0.000 0.294 489 V C -0.184 176.013 176.094 0.170 0.000 1.022 489 V CA -0.626 61.753 62.300 0.131 0.000 0.850 489 V CB 1.512 33.398 31.823 0.105 0.000 0.992 489 V HN 1.040 nan 8.190 nan 0.000 0.426 490 D N 4.019 124.489 120.400 0.117 0.000 2.520 490 D HA 0.367 5.007 4.640 -0.000 0.000 0.243 490 D C 1.180 177.525 176.300 0.075 0.000 1.160 490 D CA 2.143 56.189 54.000 0.076 0.000 0.877 490 D CB 0.603 41.427 40.800 0.041 0.000 1.150 490 D HN 0.984 nan 8.370 nan 0.000 0.494 491 G N 2.359 111.140 108.800 -0.031 0.000 2.176 491 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.232 491 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.232 491 G C 0.066 174.647 174.900 -0.530 0.000 0.986 491 G CA -0.024 44.913 45.100 -0.272 0.000 0.643 491 G HN 0.454 nan 8.290 nan 0.000 0.522 492 F N 0.737 120.701 119.950 0.024 0.000 2.599 492 F HA 0.526 5.052 4.527 -0.000 0.000 0.311 492 F C -0.373 175.453 175.800 0.043 0.000 1.076 492 F CA -1.134 56.887 58.000 0.036 0.000 0.937 492 F CB 1.559 40.582 39.000 0.038 0.000 1.282 492 F HN -0.164 nan 8.300 nan 0.000 0.460 493 D N 1.981 122.535 120.400 0.257 0.000 2.308 493 D HA 0.390 5.030 4.640 -0.000 0.000 0.251 493 D C -0.735 175.667 176.300 0.171 0.000 1.127 493 D CA 0.195 54.300 54.000 0.174 0.000 0.876 493 D CB 1.957 42.838 40.800 0.134 0.000 1.176 493 D HN 0.075 nan 8.370 nan 0.000 0.446 494 V N 1.785 121.765 119.914 0.110 0.000 2.444 494 V HA 0.497 4.617 4.120 -0.000 0.000 0.294 494 V C 0.704 176.732 176.094 -0.109 0.000 1.022 494 V CA -0.939 61.389 62.300 0.046 0.000 0.850 494 V CB 1.899 33.817 31.823 0.158 0.000 0.992 494 V HN 0.580 nan 8.190 nan 0.000 0.426 495 G N 3.186 111.731 108.800 -0.425 0.000 2.338 495 G HA2 0.744 4.703 3.960 -0.000 0.000 0.298 495 G HA3 0.744 4.703 3.960 -0.000 0.000 0.298 495 G C -0.328 174.119 174.900 -0.755 0.000 1.140 495 G CA 0.273 44.980 45.100 -0.655 0.000 0.860 495 G HN 1.217 nan 8.290 nan 0.000 0.470 496 A N 2.514 125.072 122.820 -0.436 0.000 2.610 496 A HA 0.894 5.214 4.320 -0.000 0.000 0.291 496 A C -0.995 176.319 177.584 -0.450 0.000 1.086 496 A CA -0.794 50.944 52.037 -0.498 0.000 0.677 496 A CB 2.075 20.733 19.000 -0.570 0.000 1.278 496 A HN 0.517 nan 8.150 nan 0.000 0.414 497 K N -0.032 120.011 120.400 -0.595 0.000 2.477 497 K HA 0.851 5.171 4.320 -0.000 0.000 0.255 497 K C -1.069 175.068 176.600 -0.771 0.000 0.952 497 K CA -0.293 55.713 56.287 -0.468 0.000 0.826 497 K CB 2.089 34.499 32.500 -0.150 0.000 1.331 497 K HN 0.946 nan 8.250 nan 0.000 0.437 498 T N -1.001 113.217 114.554 -0.560 0.000 2.816 498 T HA 0.834 5.184 4.350 -0.000 0.000 0.299 498 T C -1.260 173.271 174.700 -0.282 0.000 1.230 498 T CA -0.166 61.602 62.100 -0.554 0.000 1.007 498 T CB 1.674 70.138 68.868 -0.673 0.000 1.289 498 T HN 0.752 nan 8.240 nan 0.000 0.508 499 G N 0.747 109.361 108.800 -0.310 0.000 2.340 499 G HA2 0.470 4.430 3.960 -0.000 0.000 0.298 499 G HA3 0.470 4.430 3.960 -0.000 0.000 0.298 499 G C -1.393 173.441 174.900 -0.110 0.000 1.498 499 G CA -0.484 44.534 45.100 -0.136 0.000 0.847 499 G HN 0.773 nan 8.290 nan 0.000 0.594 500 T N 0.496 115.079 114.554 0.047 0.000 2.809 500 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 500 T C 0.187 174.989 174.700 0.170 0.000 0.992 500 T CA 0.364 62.516 62.100 0.086 0.000 0.957 500 T CB 1.425 70.362 68.868 0.114 0.000 0.942 500 T HN 1.403 nan 8.240 nan 0.000 0.439 501 A N 3.336 126.256 122.820 0.166 0.000 2.337 501 A HA 0.748 5.068 4.320 -0.000 0.000 0.331 501 A C 0.161 177.901 177.584 0.260 0.000 1.137 501 A CA -0.924 51.254 52.037 0.236 0.000 0.807 501 A CB 0.885 19.953 19.000 0.112 0.000 1.250 501 A HN 0.774 nan 8.150 nan 0.000 0.468 502 R N 0.802 121.464 120.500 0.270 0.000 2.570 502 R HA 0.081 4.420 4.340 -0.000 0.000 0.277 502 R C 0.309 176.621 176.300 0.019 0.000 1.039 502 R CA 0.173 56.330 56.100 0.095 0.000 1.065 502 R CB 0.470 30.799 30.300 0.050 0.000 0.964 502 R HN 0.793 nan 8.270 nan 0.000 0.428 513 K N -0.356 119.787 120.400 -0.428 0.000 2.509 513 K HA 0.568 4.888 4.320 -0.000 0.000 0.266 513 K C -1.368 174.831 176.600 -0.668 0.000 0.987 513 K CA -0.588 55.446 56.287 -0.422 0.000 0.868 513 K CB 1.672 34.094 32.500 -0.129 0.000 1.421 513 K HN 0.177 nan 8.250 nan 0.000 0.444 514 H N -1.404 117.694 119.070 0.046 0.000 2.949 514 H HA 0.587 5.143 4.556 -0.000 0.000 0.356 514 H C -1.362 173.997 175.328 0.051 0.000 1.212 514 H CA -0.968 55.111 56.048 0.051 0.000 1.136 514 H CB 1.783 31.586 29.762 0.068 0.000 1.869 514 H HN 0.059 nan 8.280 nan 0.000 0.556 515 V N 1.237 121.251 119.914 0.166 0.000 2.443 515 V HA 0.535 4.655 4.120 -0.000 0.000 0.293 515 V C 0.324 176.454 176.094 0.060 0.000 1.021 515 V CA -0.784 61.564 62.300 0.080 0.000 0.848 515 V CB 1.548 33.388 31.823 0.029 0.000 0.998 515 V HN 0.971 nan 8.190 nan 0.000 0.424 516 G N 2.669 111.485 108.800 0.028 0.000 2.356 516 G HA2 0.618 4.577 3.960 -0.000 0.000 0.298 516 G HA3 0.618 4.577 3.960 -0.000 0.000 0.298 516 G C -0.364 174.510 174.900 -0.044 0.000 1.145 516 G CA -0.175 44.907 45.100 -0.030 0.000 0.850 516 G HN 0.584 nan 8.290 nan 0.000 0.487 517 T N 0.946 115.456 114.554 -0.073 0.000 2.900 517 T HA 0.586 4.936 4.350 -0.000 0.000 0.295 517 T C -1.602 173.061 174.700 -0.062 0.000 1.044 517 T CA -0.256 61.810 62.100 -0.056 0.000 0.995 517 T CB 1.673 70.499 68.868 -0.071 0.000 1.072 517 T HN 0.365 nan 8.240 nan 0.000 0.473 518 F N 2.631 122.470 119.950 -0.185 0.000 2.573 518 F HA 0.753 5.279 4.527 -0.000 0.000 0.316 518 F C -1.392 174.233 175.800 -0.291 0.000 1.148 518 F CA -1.041 56.786 58.000 -0.288 0.000 0.940 518 F CB 1.133 39.946 39.000 -0.312 0.000 1.214 518 F HN 0.542 nan 8.300 nan 0.000 0.448 519 I N 4.854 125.176 120.570 -0.413 0.000 2.619 519 I HA 0.898 5.068 4.170 -0.000 0.000 0.292 519 I C -0.832 175.003 176.117 -0.470 0.000 1.100 519 I CA -0.209 60.901 61.300 -0.317 0.000 1.043 519 I CB 1.897 39.650 38.000 -0.412 0.000 1.239 519 I HN 0.728 nan 8.210 nan 0.000 0.420 520 G N 5.302 114.021 108.800 -0.136 0.000 2.488 520 G HA2 0.567 4.527 3.960 -0.000 0.000 0.301 520 G HA3 0.567 4.527 3.960 -0.000 0.000 0.301 520 G C -1.868 173.172 174.900 0.233 0.000 1.339 520 G CA -0.583 44.444 45.100 -0.121 0.000 0.803 520 G HN 0.731 nan 8.290 nan 0.000 0.482 521 F N -2.040 118.052 119.950 0.236 0.000 2.664 521 F HA 0.968 5.495 4.527 -0.000 0.000 0.317 521 F C -0.144 175.741 175.800 0.142 0.000 1.108 521 F CA -1.111 56.993 58.000 0.174 0.000 0.957 521 F CB 1.817 40.910 39.000 0.154 0.000 1.365 521 F HN 1.353 nan 8.300 nan 0.000 0.475 522 A N 0.692 123.702 122.820 0.317 0.000 2.599 522 A HA 0.762 5.082 4.320 -0.000 0.000 0.294 522 A C -3.376 174.259 177.584 0.085 0.000 1.055 522 A CA -1.723 50.407 52.037 0.156 0.000 0.683 522 A CB 1.209 20.181 19.000 -0.047 0.000 1.278 522 A HN 0.469 nan 8.150 nan 0.000 0.412 523 P HA 0.319 nan 4.420 nan 0.000 0.266 523 P C 1.076 178.535 177.300 0.266 0.000 1.215 523 P CA 0.732 63.972 63.100 0.235 0.000 0.763 523 P CB 1.105 32.983 31.700 0.298 0.000 0.806 524 A N 5.151 128.145 122.820 0.290 0.000 1.985 524 A HA -0.307 4.012 4.320 -0.000 0.000 0.223 524 A C 2.078 179.834 177.584 0.287 0.000 1.189 524 A CA 2.063 54.322 52.037 0.369 0.000 0.658 524 A CB -1.018 18.129 19.000 0.244 0.000 0.820 524 A HN 0.552 nan 8.150 nan 0.000 0.464 525 K N -0.936 119.578 120.400 0.190 0.000 2.076 525 K HA -0.072 4.247 4.320 -0.000 0.000 0.204 525 K C -0.489 176.171 176.600 0.100 0.000 1.051 525 K CA 1.275 57.637 56.287 0.126 0.000 0.949 525 K CB -0.013 32.546 32.500 0.099 0.000 0.726 525 K HN 0.559 nan 8.250 nan 0.000 0.443 526 N N 1.788 120.558 118.700 0.117 0.000 2.844 526 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 526 N C -2.815 172.759 175.510 0.106 0.000 1.574 526 N CA -1.417 51.689 53.050 0.093 0.000 0.838 526 N CB 1.635 40.174 38.487 0.086 0.000 1.177 526 N HN 0.035 nan 8.380 nan 0.000 0.495 527 P HA 0.154 nan 4.420 nan 0.000 0.268 527 P C 0.410 177.764 177.300 0.090 0.000 1.205 527 P CA -0.259 62.913 63.100 0.121 0.000 0.771 527 P CB 1.243 32.964 31.700 0.036 0.000 0.858 528 R N 1.024 121.575 120.500 0.085 0.000 2.412 528 R HA 0.273 4.613 4.340 -0.000 0.000 0.212 528 R C -0.279 176.049 176.300 0.047 0.000 0.878 528 R CA 0.354 56.486 56.100 0.054 0.000 1.022 528 R CB 0.430 30.749 30.300 0.032 0.000 1.265 528 R HN 0.282 nan 8.270 nan 0.000 0.620 529 V N 2.020 121.970 119.914 0.061 0.000 2.760 529 V HA 0.493 4.612 4.120 -0.000 0.000 0.309 529 V C -0.441 175.732 176.094 0.131 0.000 1.077 529 V CA -0.791 61.540 62.300 0.051 0.000 0.910 529 V CB 2.957 34.763 31.823 -0.028 0.000 1.008 529 V HN -0.040 nan 8.190 nan 0.000 0.424 530 I N 3.840 124.490 120.570 0.134 0.000 2.433 530 I HA 0.645 4.815 4.170 -0.000 0.000 0.292 530 I C -0.872 175.323 176.117 0.131 0.000 1.001 530 I CA -0.854 60.562 61.300 0.194 0.000 1.119 530 I CB 2.111 40.230 38.000 0.198 0.000 1.289 530 I HN 0.275 nan 8.210 nan 0.000 0.438 531 V N 5.064 125.086 119.914 0.181 0.000 2.588 531 V HA 0.765 4.885 4.120 -0.000 0.000 0.304 531 V C -0.288 175.955 176.094 0.249 0.000 1.042 531 V CA -0.518 61.874 62.300 0.152 0.000 0.877 531 V CB 1.774 33.592 31.823 -0.009 0.000 0.996 531 V HN 0.820 nan 8.190 nan 0.000 0.425 532 A N 4.473 127.379 122.820 0.143 0.000 2.356 532 A HA 0.931 5.250 4.320 -0.000 0.000 0.310 532 A C -1.181 176.459 177.584 0.093 0.000 1.075 532 A CA -0.552 51.545 52.037 0.100 0.000 0.746 532 A CB 1.805 20.818 19.000 0.021 0.000 1.221 532 A HN 0.709 nan 8.150 nan 0.000 0.443 533 V N 1.957 121.936 119.914 0.107 0.000 2.638 533 V HA 0.752 4.872 4.120 -0.000 0.000 0.306 533 V C -0.097 176.020 176.094 0.038 0.000 1.052 533 V CA -0.280 62.064 62.300 0.075 0.000 0.885 533 V CB 2.201 34.090 31.823 0.110 0.000 0.999 533 V HN 1.128 nan 8.190 nan 0.000 0.424 534 T N 2.685 117.244 114.554 0.007 0.000 2.861 534 T HA 0.771 5.121 4.350 -0.000 0.000 0.287 534 T C -0.979 173.715 174.700 -0.010 0.000 1.003 534 T CA -0.657 61.438 62.100 -0.008 0.000 0.977 534 T CB 1.739 70.593 68.868 -0.022 0.000 0.996 534 T HN 0.296 nan 8.240 nan 0.000 0.448 535 I N 2.947 123.511 120.570 -0.011 0.000 2.406 535 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 535 I C -0.497 175.623 176.117 0.005 0.000 0.999 535 I CA -0.553 60.743 61.300 -0.007 0.000 1.124 535 I CB 1.747 39.733 38.000 -0.022 0.000 1.289 535 I HN 0.841 nan 8.210 nan 0.000 0.441 536 D N 6.896 127.302 120.400 0.010 0.000 2.329 536 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 536 D C -0.020 176.301 176.300 0.035 0.000 1.088 536 D CA 0.040 54.050 54.000 0.018 0.000 0.835 536 D CB 1.004 41.804 40.800 0.000 0.000 1.078 536 D HN 0.603 nan 8.370 nan 0.000 0.495 537 E N 1.709 121.946 120.200 0.062 0.000 2.271 537 E HA -0.130 4.220 4.350 -0.000 0.000 0.223 537 E C -2.153 174.505 176.600 0.096 0.000 1.223 537 E CA -0.058 56.394 56.400 0.087 0.000 0.704 537 E CB -0.863 28.867 29.700 0.049 0.000 1.194 537 E HN 0.479 nan 8.360 nan 0.000 0.375 538 P HA -0.092 nan 4.420 nan 0.000 0.265 538 P C 0.653 177.981 177.300 0.047 0.000 1.193 538 P CA 0.639 63.768 63.100 0.048 0.000 0.765 538 P CB 1.093 32.765 31.700 -0.046 0.000 0.823 539 T N -0.796 113.749 114.554 -0.014 0.000 2.975 539 T HA 0.463 4.813 4.350 -0.000 0.000 0.261 539 T C 0.550 175.142 174.700 -0.181 0.000 0.984 539 T CA -0.111 61.970 62.100 -0.030 0.000 0.911 539 T CB 0.292 69.165 68.868 0.009 0.000 1.127 539 T HN 0.494 nan 8.240 nan 0.000 0.514 540 A N 1.440 124.111 122.820 -0.247 0.000 2.365 540 A HA 0.641 4.961 4.320 -0.000 0.000 0.318 540 A C -0.152 177.184 177.584 -0.414 0.000 1.091 540 A CA -0.704 51.036 52.037 -0.495 0.000 0.763 540 A CB 0.379 18.969 19.000 -0.684 0.000 1.248 540 A HN 0.465 nan 8.150 nan 0.000 0.442 541 H N -0.066 118.915 119.070 -0.149 0.000 2.826 541 H HA -0.145 4.411 4.556 -0.000 0.000 0.306 541 H C 0.710 176.058 175.328 0.032 0.000 1.235 541 H CA 1.623 57.636 56.048 -0.058 0.000 1.150 541 H CB -1.768 27.912 29.762 -0.137 0.000 1.409 541 H HN 2.507 nan 8.280 nan 0.000 0.420 542 G N -1.596 107.127 108.800 -0.128 0.000 2.619 542 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 542 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 542 G C -0.135 174.530 174.900 -0.392 0.000 1.256 542 G CA -0.146 44.852 45.100 -0.170 0.000 0.826 542 G HN 0.204 nan 8.290 nan 0.000 0.619 543 Y N -0.938 119.392 120.300 0.050 0.000 2.526 543 Y HA 0.329 4.878 4.550 -0.000 0.000 0.265 543 Y C 1.281 177.200 175.900 0.031 0.000 1.092 543 Y CA -0.098 58.001 58.100 -0.002 0.000 1.277 543 Y CB 0.340 38.746 38.460 -0.089 0.000 1.228 543 Y HN 0.651 nan 8.280 nan 0.000 0.507 544 Y N 2.142 122.498 120.300 0.093 0.000 2.620 544 Y HA 0.198 4.747 4.550 -0.000 0.000 0.330 544 Y C 1.575 177.504 175.900 0.049 0.000 1.186 544 Y CA -0.113 58.025 58.100 0.064 0.000 1.467 544 Y CB 1.017 39.517 38.460 0.066 0.000 1.262 544 Y HN 0.245 nan 8.280 nan 0.000 0.550 545 G N 4.107 112.526 108.800 -0.634 0.000 2.505 545 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.220 545 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.220 545 G C 1.659 176.389 174.900 -0.283 0.000 1.145 545 G CA 0.972 45.806 45.100 -0.443 0.000 0.761 545 G HN 0.972 nan 8.290 nan 0.000 0.571 546 G N 0.174 108.682 108.800 -0.486 0.000 2.446 546 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 546 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 546 G C 1.696 176.641 174.900 0.075 0.000 1.168 546 G CA 1.319 46.459 45.100 0.065 0.000 0.771 546 G HN 0.387 nan 8.290 nan 0.000 0.551 547 V N -0.262 119.722 119.914 0.116 0.000 3.041 547 V HA 0.026 4.146 4.120 -0.000 0.000 0.260 547 V C 2.350 178.472 176.094 0.047 0.000 1.105 547 V CA 1.024 63.394 62.300 0.117 0.000 1.125 547 V CB 0.567 32.500 31.823 0.183 0.000 0.730 547 V HN 0.245 nan 8.190 nan 0.000 0.479 548 V N -1.052 118.806 119.914 -0.094 0.000 3.219 548 V HA 0.357 4.477 4.120 -0.000 0.000 0.240 548 V C 1.997 177.997 176.094 -0.157 0.000 1.222 548 V CA 1.165 63.261 62.300 -0.341 0.000 1.181 548 V CB 0.838 32.384 31.823 -0.462 0.000 0.941 548 V HN 0.426 nan 8.190 nan 0.000 0.471 549 A N -0.335 122.431 122.820 -0.090 0.000 2.390 549 A HA 0.447 4.767 4.320 -0.000 0.000 0.232 549 A C 1.935 179.449 177.584 -0.116 0.000 1.233 549 A CA 0.860 52.877 52.037 -0.035 0.000 0.907 549 A CB -0.060 18.953 19.000 0.022 0.000 0.967 549 A HN 0.456 nan 8.150 nan 0.000 0.512 550 G N -0.607 108.048 108.800 -0.243 0.000 2.453 550 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.215 550 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.215 550 G C 1.744 176.441 174.900 -0.337 0.000 1.147 550 G CA 1.271 45.971 45.100 -0.666 0.000 0.802 550 G HN 0.473 nan 8.290 nan 0.000 0.535 551 S N 1.265 116.877 115.700 -0.147 0.000 2.338 551 S HA -0.035 4.435 4.470 -0.000 0.000 0.218 551 S C 0.648 175.198 174.600 -0.083 0.000 1.032 551 S CA 1.567 59.711 58.200 -0.093 0.000 0.999 551 S CB -0.710 62.456 63.200 -0.056 0.000 0.905 551 S HN 0.272 nan 8.310 nan 0.000 0.439 552 P HA -0.116 nan 4.420 nan 0.000 0.215 552 P C 1.513 178.777 177.300 -0.060 0.000 1.153 552 P CA 1.012 64.083 63.100 -0.049 0.000 0.853 552 P CB -0.348 31.342 31.700 -0.017 0.000 0.788 553 F N 2.390 122.219 119.950 -0.201 0.000 2.065 553 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 553 F C 2.502 178.184 175.800 -0.197 0.000 1.112 553 F CA 2.209 60.084 58.000 -0.209 0.000 1.212 553 F CB -0.688 38.100 39.000 -0.352 0.000 0.975 553 F HN -0.228 nan 8.300 nan 0.000 0.476 554 K N 0.471 120.781 120.400 -0.150 0.000 2.020 554 K HA -0.272 4.048 4.320 -0.000 0.000 0.212 554 K C 2.138 178.592 176.600 -0.244 0.000 1.050 554 K CA 2.215 58.388 56.287 -0.189 0.000 0.929 554 K CB -0.264 32.199 32.500 -0.062 0.000 0.714 554 K HN 0.286 nan 8.250 nan 0.000 0.443 555 K N 0.372 120.667 120.400 -0.175 0.000 2.057 555 K HA -0.087 4.232 4.320 -0.000 0.000 0.207 555 K C 2.101 178.599 176.600 -0.170 0.000 1.049 555 K CA 1.746 57.947 56.287 -0.143 0.000 0.931 555 K CB -0.129 32.309 32.500 -0.104 0.000 0.714 555 K HN 0.215 nan 8.250 nan 0.000 0.440 556 I N 0.200 120.643 120.570 -0.212 0.000 2.252 556 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 556 I C 2.411 178.360 176.117 -0.280 0.000 1.102 556 I CA 0.764 61.940 61.300 -0.206 0.000 1.385 556 I CB -0.115 37.782 38.000 -0.170 0.000 1.064 556 I HN 0.179 nan 8.210 nan 0.000 0.414 557 M N 1.302 120.618 119.600 -0.473 0.000 2.077 557 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 557 M C 2.151 178.251 176.300 -0.333 0.000 1.070 557 M CA 2.216 57.218 55.300 -0.497 0.000 1.125 557 M CB -1.156 30.932 32.600 -0.853 0.000 1.339 557 M HN 0.166 nan 8.290 nan 0.000 0.409 558 G N -0.976 107.666 108.800 -0.264 0.000 2.459 558 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 558 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 558 G C 1.546 176.383 174.900 -0.106 0.000 1.183 558 G CA 0.909 45.924 45.100 -0.142 0.000 0.776 558 G HN 0.664 nan 8.290 nan 0.000 0.552 559 G N 0.546 109.283 108.800 -0.106 0.000 2.476 559 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 559 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 559 G C 2.167 177.022 174.900 -0.074 0.000 1.164 559 G CA 1.597 46.653 45.100 -0.073 0.000 0.768 559 G HN 0.441 nan 8.290 nan 0.000 0.560 560 S N 0.351 115.985 115.700 -0.110 0.000 2.368 560 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 560 S C 2.329 176.874 174.600 -0.092 0.000 1.029 560 S CA 0.907 59.051 58.200 -0.094 0.000 0.988 560 S CB -0.231 62.901 63.200 -0.113 0.000 0.838 560 S HN 0.321 nan 8.310 nan 0.000 0.462 561 L N 1.410 122.543 121.223 -0.150 0.000 2.083 561 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 561 L C 2.297 179.147 176.870 -0.033 0.000 1.083 561 L CA 1.118 55.860 54.840 -0.163 0.000 0.752 561 L CB -0.637 41.158 42.059 -0.439 0.000 0.899 561 L HN 0.366 nan 8.230 nan 0.000 0.433 562 N N 0.501 119.198 118.700 -0.006 0.000 2.058 562 N HA -0.203 4.536 4.740 -0.000 0.000 0.191 562 N C 1.965 177.487 175.510 0.019 0.000 1.037 562 N CA 1.246 54.316 53.050 0.033 0.000 0.848 562 N CB -0.046 38.458 38.487 0.028 0.000 1.021 562 N HN 0.145 nan 8.380 nan 0.000 0.422 563 I N 0.726 121.297 120.570 0.001 0.000 2.194 563 I HA -0.277 3.893 4.170 -0.000 0.000 0.246 563 I C 1.615 177.738 176.117 0.011 0.000 1.093 563 I CA 1.039 62.342 61.300 0.005 0.000 1.355 563 I CB -0.164 37.835 38.000 -0.002 0.000 1.046 563 I HN 0.285 nan 8.210 nan 0.000 0.413 564 L N 0.434 121.660 121.223 0.005 0.000 2.610 564 L HA 0.079 4.419 4.340 -0.000 0.000 0.232 564 L C 1.338 178.224 176.870 0.027 0.000 1.149 564 L CA 0.486 55.334 54.840 0.013 0.000 0.872 564 L CB -0.702 41.358 42.059 0.002 0.000 0.992 564 L HN 0.528 nan 8.230 nan 0.000 0.447 565 G N 1.457 110.278 108.800 0.035 0.000 2.246 565 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 565 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 565 G C -0.033 174.910 174.900 0.072 0.000 1.055 565 G CA -0.134 44.996 45.100 0.050 0.000 0.851 565 G HN 0.323 nan 8.290 nan 0.000 0.500 566 I N 1.495 122.122 120.570 0.096 0.000 2.312 566 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 566 I C 0.838 177.111 176.117 0.261 0.000 1.031 566 I CA -0.378 61.014 61.300 0.152 0.000 1.293 566 I CB 1.488 39.557 38.000 0.116 0.000 1.403 566 I HN 0.114 nan 8.210 nan 0.000 0.484 567 S N 7.765 123.578 115.700 0.188 0.000 2.549 567 S HA 0.234 4.704 4.470 -0.000 0.000 0.279 567 S C -2.101 172.529 174.600 0.051 0.000 1.321 567 S CA -0.934 57.335 58.200 0.115 0.000 1.054 567 S CB 0.274 63.503 63.200 0.047 0.000 0.899 567 S HN 0.373 nan 8.310 nan 0.000 0.497 568 P HA 0.044 nan 4.420 nan 0.000 0.267 568 P C 0.936 177.963 177.300 -0.454 0.000 1.201 568 P CA 0.004 62.570 63.100 -0.891 0.000 0.775 568 P CB 0.344 31.655 31.700 -0.649 0.000 0.854 569 T N -2.024 112.248 114.554 -0.471 0.000 2.990 569 T HA 0.146 4.496 4.350 -0.000 0.000 0.250 569 T C 0.308 174.929 174.700 -0.131 0.000 1.041 569 T CA 0.053 62.053 62.100 -0.167 0.000 1.010 569 T CB -0.098 68.751 68.868 -0.031 0.000 1.003 569 T HN 0.497 nan 8.240 nan 0.000 0.499 570 K N 0.916 121.206 120.400 -0.183 0.000 2.464 570 K HA 0.679 4.999 4.320 -0.000 0.000 0.253 570 K C -3.431 173.093 176.600 -0.126 0.000 0.933 570 K CA -2.400 53.820 56.287 -0.112 0.000 0.801 570 K CB 1.334 33.794 32.500 -0.068 0.000 1.271 570 K HN -0.223 nan 8.250 nan 0.000 0.430 571 P HA -0.093 nan 4.420 nan 0.000 0.264 571 P C -0.915 176.344 177.300 -0.069 0.000 1.173 571 P CA 0.014 63.072 63.100 -0.071 0.000 0.761 571 P CB 0.243 31.916 31.700 -0.045 0.000 0.794 572 L N 2.727 123.911 121.223 -0.066 0.000 2.367 572 L HA 0.197 4.536 4.340 -0.000 0.000 0.275 572 L C 1.246 178.099 176.870 -0.029 0.000 1.129 572 L CA 0.506 55.316 54.840 -0.049 0.000 0.839 572 L CB -0.003 42.030 42.059 -0.044 0.000 1.133 572 L HN 0.356 nan 8.230 nan 0.000 0.453 573 T N 0.000 114.543 114.554 -0.019 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 573 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658