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 3k7v_1_A DATA FIRST_RESID 9 DATA SEQUENCE SLYPIAVLID ELRNEDVQLR LNSIKKLSTI ALALGVERTR SELLPFLTDT DATA SEQUENCE IYDEDEVLLA LAEQLGTFTT LVGGPEYVHC LLPPLESLAT VEETVVRDKA DATA SEQUENCE VESLRAISHE HSPSDLEAHF VPLVKRLAGG DWFTSRTSAC GLFSVCYPRV DATA SEQUENCE SSAVKAELRQ YFRNLCSDDT PMVRRAAASK LGEFAKVLEL DNVKSEIIPM DATA SEQUENCE FSNLASDEQD SVRLLAVEAC VNIAQLLPQE DLEALVMPTL RQAAEDKSWR DATA SEQUENCE VRYMVADKFT ELQKAVGPEI TKTDLVPAFQ NLMKDCEAEV RAAASHKVKE DATA SEQUENCE FCENLSADCR ENVIMSQILP CIKELVSDAN QHVKSALASV IMGLSPILGK DATA SEQUENCE DNTIEHLLPL FLAQLKDECP EVRLNIISNL DCVNEVIGIR QLSQSLLPAI DATA SEQUENCE VELAEDAKWR VRLAIIEYMP LLAGQLGVEF FDEKLNSLCM AWLVDHVYAI DATA SEQUENCE REAATSNLKK LVEKFGKEWA HATIIPKVLA MSGDPNYLHR MTTLFCINVL DATA SEQUENCE SEVCGQDITT KHMLPTVLRM AGDPVANVRF NVAKSLQKIG PILDNSTLQS DATA SEQUENCE EVKPILEKLT QDQDVDVKYF AQEALTVLSL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.587 174.600 -0.021 0.000 1.055 9 S CA 0.000 58.176 58.200 -0.039 0.000 1.107 9 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 10 L N 1.044 122.224 121.223 -0.071 0.000 2.409 10 L HA 0.613 4.953 4.340 -0.001 0.000 0.262 10 L C -1.332 175.518 176.870 -0.033 0.000 0.992 10 L CA -0.974 53.874 54.840 0.014 0.000 0.817 10 L CB 1.578 43.641 42.059 0.006 0.000 1.350 10 L HN 0.780 nan 8.230 nan 0.000 0.411 11 Y N 1.612 121.869 120.300 -0.073 0.000 2.301 11 Y HA 0.226 4.776 4.550 -0.001 0.000 0.328 11 Y C -1.091 174.768 175.900 -0.068 0.000 1.242 11 Y CA -1.405 56.653 58.100 -0.070 0.000 1.323 11 Y CB 0.271 38.702 38.460 -0.048 0.000 1.266 11 Y HN 0.419 nan 8.280 nan 0.000 0.527 12 P HA -0.036 nan 4.420 nan 0.000 0.235 12 P C 1.209 178.402 177.300 -0.178 0.000 1.177 12 P CA 0.877 63.980 63.100 0.005 0.000 0.785 12 P CB 0.450 32.164 31.700 0.024 0.000 0.885 13 I N 1.411 121.848 120.570 -0.221 0.000 2.208 13 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 13 I C 2.407 178.242 176.117 -0.470 0.000 1.097 13 I CA 1.447 62.531 61.300 -0.360 0.000 1.363 13 I CB -1.860 35.832 38.000 -0.512 0.000 1.051 13 I HN -0.054 nan 8.210 nan 0.000 0.413 14 A N 0.639 123.151 122.820 -0.512 0.000 2.194 14 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 14 A C 2.414 179.671 177.584 -0.545 0.000 1.162 14 A CA 1.436 53.144 52.037 -0.549 0.000 0.674 14 A CB -0.875 17.753 19.000 -0.621 0.000 0.789 14 A HN 0.323 nan 8.150 nan 0.000 0.470 15 V N -0.870 118.731 119.914 -0.521 0.000 2.809 15 V HA -0.174 3.945 4.120 -0.001 0.000 0.256 15 V C 2.306 178.307 176.094 -0.156 0.000 1.080 15 V CA 1.322 63.431 62.300 -0.318 0.000 1.102 15 V CB -0.666 31.041 31.823 -0.193 0.000 0.705 15 V HN 0.471 nan 8.190 nan 0.000 0.475 16 L N -0.542 120.597 121.223 -0.140 0.000 2.056 16 L HA 0.083 4.423 4.340 -0.001 0.000 0.207 16 L C 1.203 178.081 176.870 0.013 0.000 1.078 16 L CA 1.050 55.879 54.840 -0.020 0.000 0.749 16 L CB -0.584 41.511 42.059 0.060 0.000 0.901 16 L HN 0.192 nan 8.230 nan 0.000 0.433 17 I N 0.415 120.970 120.570 -0.025 0.000 2.892 17 I HA -0.103 4.067 4.170 -0.001 0.000 0.287 17 I C 0.346 176.462 176.117 -0.003 0.000 1.205 17 I CA 0.287 61.596 61.300 0.016 0.000 1.409 17 I CB 0.170 38.159 38.000 -0.019 0.000 1.367 17 I HN 0.096 nan 8.210 nan 0.000 0.597 18 D N 5.145 125.555 120.400 0.017 0.000 2.479 18 D HA 0.079 4.719 4.640 -0.001 0.000 0.247 18 D C 0.639 176.943 176.300 0.007 0.000 1.119 18 D CA -0.354 53.654 54.000 0.013 0.000 0.922 18 D CB 0.566 41.382 40.800 0.026 0.000 1.014 18 D HN 0.367 nan 8.370 nan 0.000 0.510 19 E N 2.344 122.546 120.200 0.003 0.000 2.515 19 E HA -0.060 4.290 4.350 -0.001 0.000 0.201 19 E C 1.278 177.883 176.600 0.008 0.000 1.071 19 E CA 0.356 56.760 56.400 0.006 0.000 0.880 19 E CB 0.530 30.237 29.700 0.013 0.000 0.828 19 E HN 0.647 nan 8.360 nan 0.000 0.540 20 L N -0.365 120.865 121.223 0.010 0.000 2.554 20 L HA 0.114 4.454 4.340 -0.001 0.000 0.225 20 L C 2.128 179.004 176.870 0.008 0.000 1.104 20 L CA 0.030 54.877 54.840 0.011 0.000 0.866 20 L CB 0.094 42.161 42.059 0.015 0.000 1.047 20 L HN -0.012 nan 8.230 nan 0.000 0.468 21 R N 0.547 121.051 120.500 0.006 0.000 1.241 21 R HA 0.174 4.514 4.340 -0.001 0.000 0.092 21 R C 0.326 176.623 176.300 -0.004 0.000 1.017 21 R CA 0.178 56.281 56.100 0.004 0.000 1.983 21 R CB 0.127 30.431 30.300 0.008 0.000 0.739 21 R HN 0.090 nan 8.270 nan 0.000 0.695 22 N N 0.122 118.812 118.700 -0.017 0.000 3.596 22 N HA -0.006 4.734 4.740 -0.001 0.000 0.135 22 N C -1.206 174.269 175.510 -0.058 0.000 0.982 22 N CA 0.129 53.162 53.050 -0.028 0.000 2.806 22 N CB 0.658 39.137 38.487 -0.013 0.000 1.378 22 N HN 0.276 nan 8.380 nan 0.000 0.776 23 E N 0.293 120.433 120.200 -0.100 0.000 3.751 23 E HA 0.248 4.598 4.350 -0.001 0.000 0.281 23 E C 0.061 176.495 176.600 -0.276 0.000 1.086 23 E CA -0.044 56.220 56.400 -0.227 0.000 1.579 23 E CB 0.395 29.923 29.700 -0.286 0.000 1.666 23 E HN 0.273 nan 8.360 nan 0.000 0.655 24 D N -1.635 118.484 120.400 -0.469 0.000 2.957 24 D HA 0.294 4.934 4.640 -0.001 0.000 0.352 24 D C -0.491 175.663 176.300 -0.243 0.000 1.352 24 D CA -0.582 53.223 54.000 -0.325 0.000 0.831 24 D CB 0.190 40.790 40.800 -0.334 0.000 1.147 24 D HN 0.132 nan 8.370 nan 0.000 0.467 25 V N -0.617 119.196 119.914 -0.169 0.000 6.620 25 V HA -0.233 3.887 4.120 -0.001 0.000 0.360 25 V C 0.285 176.350 176.094 -0.048 0.000 0.358 25 V CA 0.342 62.606 62.300 -0.060 0.000 0.727 25 V CB -2.352 29.460 31.823 -0.019 0.000 0.276 25 V HN 0.733 nan 8.190 nan 0.000 1.434 26 Q N 0.615 120.358 119.800 -0.095 0.000 2.394 26 Q HA 0.602 4.942 4.340 -0.001 0.000 0.248 26 Q C -0.180 175.866 176.000 0.076 0.000 0.992 26 Q CA -0.284 55.531 55.803 0.020 0.000 0.888 26 Q CB 1.068 29.819 28.738 0.021 0.000 1.257 26 Q HN 0.713 nan 8.270 nan 0.000 0.462 27 L N 2.373 123.663 121.223 0.111 0.000 2.358 27 L HA 0.532 4.871 4.340 -0.001 0.000 0.268 27 L C 0.141 177.057 176.870 0.077 0.000 1.032 27 L CA -1.005 53.896 54.840 0.101 0.000 0.805 27 L CB 1.193 43.316 42.059 0.107 0.000 1.253 27 L HN 0.605 nan 8.230 nan 0.000 0.452 28 R N 0.908 121.444 120.500 0.060 0.000 2.316 28 R HA 0.079 4.419 4.340 -0.001 0.000 0.314 28 R C 0.762 177.088 176.300 0.043 0.000 1.069 28 R CA -0.463 55.663 56.100 0.044 0.000 0.959 28 R CB 0.866 31.184 30.300 0.031 0.000 0.987 28 R HN 0.449 nan 8.270 nan 0.000 0.446 29 L N 3.597 124.844 121.223 0.039 0.000 1.976 29 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 29 L C 1.313 178.201 176.870 0.029 0.000 1.071 29 L CA 1.913 56.772 54.840 0.032 0.000 0.746 29 L CB -0.393 41.682 42.059 0.027 0.000 0.890 29 L HN 0.574 nan 8.230 nan 0.000 0.432 30 N N -0.943 117.774 118.700 0.028 0.000 2.635 30 N HA -0.120 4.619 4.740 -0.001 0.000 0.191 30 N C 1.637 177.165 175.510 0.029 0.000 1.155 30 N CA 0.993 54.059 53.050 0.027 0.000 0.927 30 N CB 0.063 38.565 38.487 0.024 0.000 0.976 30 N HN 0.443 nan 8.380 nan 0.000 0.448 31 S N -0.317 115.403 115.700 0.032 0.000 2.641 31 S HA 0.222 4.692 4.470 -0.001 0.000 0.239 31 S C 1.638 176.265 174.600 0.045 0.000 1.081 31 S CA -0.387 57.835 58.200 0.036 0.000 0.904 31 S CB 0.314 63.532 63.200 0.030 0.000 0.803 31 S HN 0.027 nan 8.310 nan 0.000 0.510 32 I N 2.458 123.054 120.570 0.044 0.000 2.530 32 I HA -0.110 4.059 4.170 -0.001 0.000 0.257 32 I C 1.797 177.939 176.117 0.042 0.000 1.179 32 I CA 1.417 62.742 61.300 0.042 0.000 1.440 32 I CB -0.807 37.208 38.000 0.025 0.000 1.087 32 I HN 0.339 nan 8.210 nan 0.000 0.440 33 K N 0.603 121.028 120.400 0.042 0.000 2.305 33 K HA -0.029 4.291 4.320 -0.001 0.000 0.199 33 K C 0.950 177.587 176.600 0.063 0.000 1.047 33 K CA 0.562 56.878 56.287 0.047 0.000 0.976 33 K CB 0.110 32.632 32.500 0.036 0.000 0.765 33 K HN 0.158 nan 8.250 nan 0.000 0.474 34 K N 1.274 121.710 120.400 0.060 0.000 3.127 34 K HA 0.090 4.409 4.320 -0.001 0.000 0.236 34 K C 0.341 176.993 176.600 0.087 0.000 1.271 34 K CA -0.155 56.170 56.287 0.063 0.000 1.224 34 K CB 0.508 33.035 32.500 0.045 0.000 1.482 34 K HN -0.028 nan 8.250 nan 0.000 0.435 35 L N 0.139 121.441 121.223 0.132 0.000 2.253 35 L HA -0.039 4.301 4.340 -0.001 0.000 0.205 35 L C 1.691 178.739 176.870 0.297 0.000 1.078 35 L CA 1.557 56.519 54.840 0.204 0.000 0.805 35 L CB -0.014 42.158 42.059 0.188 0.000 0.963 35 L HN 0.201 nan 8.230 nan 0.000 0.459 36 S N -1.409 114.449 115.700 0.264 0.000 2.465 36 S HA -0.200 4.270 4.470 -0.001 0.000 0.241 36 S C 1.796 176.388 174.600 -0.013 0.000 1.000 36 S CA 1.467 59.701 58.200 0.055 0.000 0.964 36 S CB -1.311 61.896 63.200 0.012 0.000 0.763 36 S HN 0.703 nan 8.310 nan 0.000 0.512 37 T N 0.499 115.077 114.554 0.039 0.000 2.894 37 T HA 0.155 4.505 4.350 -0.001 0.000 0.258 37 T C 1.642 176.352 174.700 0.017 0.000 1.043 37 T CA 0.460 62.569 62.100 0.015 0.000 1.141 37 T CB -0.551 68.330 68.868 0.023 0.000 0.873 37 T HN 0.276 nan 8.240 nan 0.000 0.449 38 I N 2.746 123.344 120.570 0.047 0.000 2.315 38 I HA 0.081 4.250 4.170 -0.001 0.000 0.248 38 I C 2.980 179.117 176.117 0.034 0.000 1.117 38 I CA 0.826 62.148 61.300 0.037 0.000 1.404 38 I CB -0.939 37.088 38.000 0.045 0.000 1.071 38 I HN 0.341 nan 8.210 nan 0.000 0.419 39 A N 0.046 122.898 122.820 0.054 0.000 1.933 39 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 39 A C 2.354 179.898 177.584 -0.066 0.000 1.175 39 A CA 1.477 53.513 52.037 -0.001 0.000 0.628 39 A CB -0.866 18.050 19.000 -0.139 0.000 0.814 39 A HN 0.410 nan 8.150 nan 0.000 0.444 40 L N -1.158 120.023 121.223 -0.071 0.000 2.156 40 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 40 L C 2.981 179.827 176.870 -0.040 0.000 1.095 40 L CA 0.649 55.449 54.840 -0.068 0.000 0.770 40 L CB -0.461 41.560 42.059 -0.064 0.000 0.914 40 L HN 0.479 nan 8.230 nan 0.000 0.439 41 A N 0.711 123.518 122.820 -0.022 0.000 1.827 41 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 41 A C 0.942 178.516 177.584 -0.017 0.000 1.212 41 A CA 0.951 52.981 52.037 -0.012 0.000 0.624 41 A CB -1.089 17.912 19.000 0.001 0.000 0.853 41 A HN 0.221 nan 8.150 nan 0.000 0.450 42 L N -1.270 119.945 121.223 -0.014 0.000 2.473 42 L HA 0.551 4.890 4.340 -0.001 0.000 0.268 42 L C 1.041 177.892 176.870 -0.033 0.000 1.215 42 L CA 0.155 54.984 54.840 -0.019 0.000 0.823 42 L CB -0.776 41.275 42.059 -0.014 0.000 1.099 42 L HN 0.307 nan 8.230 nan 0.000 0.483 43 G N -0.379 108.396 108.800 -0.041 0.000 2.563 43 G HA2 0.358 4.317 3.960 -0.001 0.000 0.283 43 G HA3 0.358 4.317 3.960 -0.001 0.000 0.283 43 G C 0.820 175.674 174.900 -0.078 0.000 1.309 43 G CA -0.124 44.940 45.100 -0.060 0.000 1.022 43 G HN 0.640 nan 8.290 nan 0.000 0.501 44 V N -0.162 119.688 119.914 -0.107 0.000 2.324 44 V HA -0.192 3.928 4.120 -0.001 0.000 0.250 44 V C 2.799 178.797 176.094 -0.159 0.000 1.060 44 V CA 3.084 65.295 62.300 -0.147 0.000 1.042 44 V CB -0.597 31.114 31.823 -0.186 0.000 0.650 44 V HN 0.781 nan 8.190 nan 0.000 0.450 45 E N 0.080 120.193 120.200 -0.145 0.000 2.051 45 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 45 E C 2.371 178.926 176.600 -0.074 0.000 0.991 45 E CA 1.578 57.901 56.400 -0.127 0.000 0.799 45 E CB -0.343 29.304 29.700 -0.088 0.000 0.748 45 E HN 0.573 nan 8.360 nan 0.000 0.449 46 R N -0.026 120.443 120.500 -0.052 0.000 2.193 46 R HA 0.040 4.380 4.340 -0.001 0.000 0.213 46 R C 2.025 178.321 176.300 -0.007 0.000 1.055 46 R CA 1.289 57.374 56.100 -0.024 0.000 0.995 46 R CB -0.154 30.134 30.300 -0.019 0.000 0.893 46 R HN 0.166 nan 8.270 nan 0.000 0.459 47 T N 0.728 115.273 114.554 -0.015 0.000 2.746 47 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 47 T C 1.766 176.492 174.700 0.045 0.000 1.039 47 T CA 1.127 63.246 62.100 0.032 0.000 1.142 47 T CB -0.042 68.839 68.868 0.022 0.000 0.866 47 T HN 0.295 nan 8.240 nan 0.000 0.444 48 R N 1.223 121.720 120.500 -0.005 0.000 2.057 48 R HA -0.014 4.326 4.340 -0.001 0.000 0.229 48 R C 3.060 179.373 176.300 0.022 0.000 1.136 48 R CA 1.597 57.698 56.100 0.002 0.000 0.952 48 R CB -0.585 29.687 30.300 -0.047 0.000 0.848 48 R HN 0.455 nan 8.270 nan 0.000 0.430 49 S N 0.848 116.554 115.700 0.010 0.000 2.423 49 S HA -0.149 4.321 4.470 -0.001 0.000 0.231 49 S C 1.552 176.174 174.600 0.036 0.000 1.014 49 S CA 1.521 59.734 58.200 0.022 0.000 0.965 49 S CB 0.013 63.219 63.200 0.011 0.000 0.785 49 S HN 0.538 nan 8.310 nan 0.000 0.495 50 E N -0.604 119.620 120.200 0.039 0.000 2.441 50 E HA 0.230 4.579 4.350 -0.001 0.000 0.207 50 E C 1.804 178.462 176.600 0.096 0.000 0.803 50 E CA -0.096 56.337 56.400 0.055 0.000 1.240 50 E CB -0.615 29.098 29.700 0.023 0.000 1.233 50 E HN 0.356 nan 8.360 nan 0.000 0.590 51 L N 2.077 123.356 121.223 0.094 0.000 1.988 51 L HA 0.005 4.345 4.340 -0.001 0.000 0.207 51 L C 2.164 179.141 176.870 0.179 0.000 1.071 51 L CA 1.601 56.532 54.840 0.152 0.000 0.744 51 L CB -0.504 41.644 42.059 0.149 0.000 0.893 51 L HN 0.144 nan 8.230 nan 0.000 0.433 52 L N -0.370 120.923 121.223 0.116 0.000 1.970 52 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 52 L C 0.083 176.987 176.870 0.056 0.000 1.071 52 L CA 1.719 56.598 54.840 0.066 0.000 0.751 52 L CB -2.234 39.856 42.059 0.051 0.000 0.889 52 L HN 0.221 nan 8.230 nan 0.000 0.432 53 P HA -0.266 nan 4.420 nan 0.000 0.216 53 P C 1.637 178.977 177.300 0.068 0.000 1.157 53 P CA 1.632 64.768 63.100 0.060 0.000 0.880 53 P CB -0.157 31.587 31.700 0.074 0.000 0.791 54 F N -0.134 119.812 119.950 -0.007 0.000 2.161 54 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 54 F C 1.807 177.597 175.800 -0.017 0.000 1.089 54 F CA 1.464 59.458 58.000 -0.011 0.000 1.282 54 F CB -0.881 38.112 39.000 -0.012 0.000 1.010 54 F HN -0.212 nan 8.300 nan 0.000 0.485 55 L N -0.728 120.372 121.223 -0.205 0.000 2.179 55 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 55 L C 2.363 179.091 176.870 -0.236 0.000 1.096 55 L CA 1.274 55.930 54.840 -0.307 0.000 0.779 55 L CB -1.092 40.894 42.059 -0.123 0.000 0.922 55 L HN 0.101 nan 8.230 nan 0.000 0.443 56 T N 0.426 114.895 114.554 -0.142 0.000 2.580 56 T HA -0.222 4.128 4.350 -0.001 0.000 0.265 56 T C 1.297 175.927 174.700 -0.116 0.000 1.063 56 T CA 2.216 64.255 62.100 -0.102 0.000 1.170 56 T CB -0.352 68.483 68.868 -0.055 0.000 0.863 56 T HN 0.577 nan 8.240 nan 0.000 0.418 57 D N 0.121 120.448 120.400 -0.121 0.000 2.305 57 D HA 0.019 4.658 4.640 -0.001 0.000 0.206 57 D C 0.791 177.007 176.300 -0.140 0.000 0.974 57 D CA 0.377 54.315 54.000 -0.104 0.000 0.871 57 D CB -0.551 40.210 40.800 -0.065 0.000 0.947 57 D HN 0.167 nan 8.370 nan 0.000 0.516 58 T N 1.197 115.594 114.554 -0.263 0.000 4.219 58 T HA 0.226 4.575 4.350 -0.001 0.000 0.263 58 T C 0.124 174.698 174.700 -0.210 0.000 1.217 58 T CA -0.048 61.870 62.100 -0.303 0.000 1.145 58 T CB -0.574 67.879 68.868 -0.690 0.000 1.298 58 T HN 0.212 nan 8.240 nan 0.000 0.999 59 I N 3.508 124.021 120.570 -0.094 0.000 2.621 59 I HA 0.245 4.415 4.170 -0.001 0.000 0.276 59 I C 0.181 176.329 176.117 0.051 0.000 1.118 59 I CA -0.891 60.384 61.300 -0.042 0.000 1.159 59 I CB 0.205 38.173 38.000 -0.054 0.000 1.357 59 I HN 0.381 nan 8.210 nan 0.000 0.513 60 Y N 5.150 125.408 120.300 -0.070 0.000 2.701 60 Y HA 0.010 4.559 4.550 -0.001 0.000 0.479 60 Y C 0.947 176.827 175.900 -0.033 0.000 1.395 60 Y CA 0.523 58.597 58.100 -0.042 0.000 2.112 60 Y CB 0.443 38.881 38.460 -0.036 0.000 1.802 60 Y HN 0.370 nan 8.280 nan 0.000 0.674 61 D N -0.235 119.685 120.400 -0.800 0.000 2.513 61 D HA 0.038 4.677 4.640 -0.001 0.000 0.222 61 D C -0.695 175.160 176.300 -0.742 0.000 1.210 61 D CA 0.027 53.654 54.000 -0.621 0.000 0.825 61 D CB -0.024 40.519 40.800 -0.427 0.000 1.037 61 D HN 0.391 nan 8.370 nan 0.000 0.506 62 E N 1.794 121.451 120.200 -0.904 0.000 2.037 62 E HA -0.045 4.304 4.350 -0.001 0.000 0.253 62 E C 0.816 177.287 176.600 -0.216 0.000 1.265 62 E CA 0.236 56.380 56.400 -0.428 0.000 0.972 62 E CB 0.083 29.731 29.700 -0.086 0.000 1.054 62 E HN -0.009 nan 8.360 nan 0.000 0.432 63 D N 4.133 124.421 120.400 -0.187 0.000 2.104 63 D HA -0.196 4.444 4.640 -0.001 0.000 0.194 63 D C 0.949 177.208 176.300 -0.068 0.000 0.994 63 D CA 1.295 55.226 54.000 -0.114 0.000 0.830 63 D CB 0.222 40.964 40.800 -0.096 0.000 0.959 63 D HN 0.642 nan 8.370 nan 0.000 0.452 64 E N 0.375 120.544 120.200 -0.052 0.000 2.171 64 E HA -0.145 4.205 4.350 -0.001 0.000 0.197 64 E C 2.228 178.815 176.600 -0.022 0.000 0.997 64 E CA 0.603 56.987 56.400 -0.027 0.000 0.810 64 E CB 0.099 29.790 29.700 -0.014 0.000 0.738 64 E HN 0.139 nan 8.360 nan 0.000 0.467 65 V N 1.172 121.069 119.914 -0.027 0.000 2.273 65 V HA -0.202 3.917 4.120 -0.001 0.000 0.242 65 V C 2.302 178.377 176.094 -0.033 0.000 1.035 65 V CA 1.200 63.490 62.300 -0.018 0.000 1.013 65 V CB -0.405 31.419 31.823 0.000 0.000 0.652 65 V HN 0.229 nan 8.190 nan 0.000 0.452 66 L N -0.637 120.555 121.223 -0.052 0.000 2.051 66 L HA -0.269 4.071 4.340 -0.001 0.000 0.214 66 L C 2.454 179.296 176.870 -0.046 0.000 1.076 66 L CA 1.420 56.226 54.840 -0.058 0.000 0.758 66 L CB -0.594 41.422 42.059 -0.072 0.000 0.890 66 L HN 0.336 nan 8.230 nan 0.000 0.433 67 L N -0.215 120.985 121.223 -0.038 0.000 1.976 67 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 67 L C 2.689 179.546 176.870 -0.021 0.000 1.071 67 L CA 2.178 57.002 54.840 -0.026 0.000 0.746 67 L CB -0.849 41.198 42.059 -0.019 0.000 0.890 67 L HN 0.180 nan 8.230 nan 0.000 0.432 68 A N -0.787 122.022 122.820 -0.018 0.000 1.892 68 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 68 A C 2.252 179.818 177.584 -0.031 0.000 1.188 68 A CA 2.105 54.135 52.037 -0.013 0.000 0.631 68 A CB -1.194 17.804 19.000 -0.003 0.000 0.822 68 A HN 0.494 nan 8.150 nan 0.000 0.447 69 L N -0.230 120.965 121.223 -0.047 0.000 2.081 69 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 69 L C 2.601 179.416 176.870 -0.091 0.000 1.080 69 L CA 2.344 57.135 54.840 -0.083 0.000 0.754 69 L CB -0.861 41.146 42.059 -0.086 0.000 0.893 69 L HN 0.365 nan 8.230 nan 0.000 0.433 70 A N -0.837 121.947 122.820 -0.060 0.000 1.898 70 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 70 A C 2.309 179.877 177.584 -0.028 0.000 1.181 70 A CA 1.547 53.557 52.037 -0.045 0.000 0.620 70 A CB -0.667 18.316 19.000 -0.028 0.000 0.819 70 A HN 0.628 nan 8.150 nan 0.000 0.442 71 E N -0.763 119.428 120.200 -0.016 0.000 2.028 71 E HA -0.288 4.062 4.350 -0.001 0.000 0.191 71 E C 2.168 178.776 176.600 0.012 0.000 0.988 71 E CA 1.555 57.959 56.400 0.007 0.000 0.799 71 E CB -0.216 29.492 29.700 0.013 0.000 0.755 71 E HN 0.512 nan 8.360 nan 0.000 0.447 72 Q N 0.559 120.354 119.800 -0.009 0.000 2.135 72 Q HA -0.106 4.234 4.340 -0.001 0.000 0.204 72 Q C 2.062 178.036 176.000 -0.044 0.000 0.981 72 Q CA 1.448 57.252 55.803 0.002 0.000 0.856 72 Q CB -0.248 28.465 28.738 -0.042 0.000 0.902 72 Q HN 0.434 nan 8.270 nan 0.000 0.425 73 L N -1.034 120.100 121.223 -0.147 0.000 2.456 73 L HA -0.025 4.314 4.340 -0.001 0.000 0.224 73 L C 1.809 178.697 176.870 0.029 0.000 1.148 73 L CA 0.754 55.491 54.840 -0.171 0.000 0.825 73 L CB -0.359 41.601 42.059 -0.165 0.000 0.937 73 L HN 0.341 nan 8.230 nan 0.000 0.450 74 G N -1.272 107.563 108.800 0.060 0.000 2.985 74 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.209 74 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.209 74 G C 0.964 175.939 174.900 0.125 0.000 1.165 74 G CA 0.816 45.972 45.100 0.093 0.000 0.776 74 G HN 0.399 nan 8.290 nan 0.000 0.541 75 T N -4.020 110.639 114.554 0.174 0.000 3.533 75 T HA 0.404 4.753 4.350 -0.001 0.000 0.275 75 T C 0.193 175.058 174.700 0.276 0.000 1.000 75 T CA -0.550 61.657 62.100 0.178 0.000 1.015 75 T CB -0.263 68.692 68.868 0.145 0.000 1.153 75 T HN -0.062 nan 8.240 nan 0.000 0.504 76 F N 0.735 120.696 119.950 0.018 0.000 2.746 76 F HA 0.322 4.849 4.527 -0.000 0.000 0.320 76 F C 2.059 177.858 175.800 -0.001 0.000 1.097 76 F CA -0.587 57.417 58.000 0.007 0.000 1.195 76 F CB 0.461 39.467 39.000 0.008 0.000 1.056 76 F HN 0.165 nan 8.300 nan 0.000 0.562 77 T N -0.736 113.898 114.554 0.134 0.000 2.597 77 T HA -0.320 4.029 4.350 -0.001 0.000 0.267 77 T C 2.255 176.959 174.700 0.006 0.000 1.053 77 T CA 2.584 64.722 62.100 0.064 0.000 1.165 77 T CB -0.588 68.310 68.868 0.051 0.000 0.863 77 T HN 0.324 nan 8.240 nan 0.000 0.427 78 T N 0.946 115.485 114.554 -0.026 0.000 2.867 78 T HA 0.032 4.382 4.350 -0.001 0.000 0.268 78 T C 1.709 176.335 174.700 -0.124 0.000 1.057 78 T CA 0.725 62.788 62.100 -0.062 0.000 1.136 78 T CB -0.462 68.373 68.868 -0.056 0.000 0.874 78 T HN 0.294 nan 8.240 nan 0.000 0.466 79 L N 0.692 121.783 121.223 -0.220 0.000 2.610 79 L HA 0.204 4.544 4.340 -0.001 0.000 0.232 79 L C 1.736 178.475 176.870 -0.218 0.000 1.149 79 L CA 0.064 54.714 54.840 -0.316 0.000 0.872 79 L CB 0.241 41.884 42.059 -0.693 0.000 0.992 79 L HN 0.193 nan 8.230 nan 0.000 0.447 80 V N -1.353 118.486 119.914 -0.125 0.000 3.605 80 V HA 0.357 4.477 4.120 -0.001 0.000 0.284 80 V C 1.379 177.368 176.094 -0.175 0.000 1.386 80 V CA 0.826 63.073 62.300 -0.089 0.000 1.053 80 V CB 0.802 32.633 31.823 0.013 0.000 0.857 80 V HN 0.521 nan 8.190 nan 0.000 0.436 81 G N -0.984 107.735 108.800 -0.134 0.000 2.273 81 G HA2 0.275 4.235 3.960 -0.001 0.000 0.162 81 G HA3 0.275 4.235 3.960 -0.001 0.000 0.162 81 G C 0.630 175.558 174.900 0.048 0.000 1.006 81 G CA -0.015 45.007 45.100 -0.130 0.000 0.704 81 G HN 1.497 nan 8.290 nan 0.000 0.487 82 G N -0.255 108.559 108.800 0.023 0.000 2.698 82 G HA2 0.130 4.089 3.960 -0.001 0.000 0.225 82 G HA3 0.130 4.089 3.960 -0.001 0.000 0.225 82 G C -0.869 174.055 174.900 0.039 0.000 1.345 82 G CA 0.267 45.386 45.100 0.031 0.000 0.871 82 G HN 0.513 nan 8.290 nan 0.000 0.540 83 P HA -0.109 nan 4.420 nan 0.000 0.217 83 P C 1.598 178.865 177.300 -0.055 0.000 1.162 83 P CA 2.144 65.232 63.100 -0.020 0.000 0.901 83 P CB -0.127 31.570 31.700 -0.006 0.000 0.793 84 E N -2.441 117.737 120.200 -0.037 0.000 2.352 84 E HA -0.220 4.129 4.350 -0.001 0.000 0.203 84 E C 0.763 177.121 176.600 -0.404 0.000 1.024 84 E CA 1.164 57.461 56.400 -0.172 0.000 0.842 84 E CB -0.382 29.211 29.700 -0.178 0.000 0.753 84 E HN 0.501 nan 8.360 nan 0.000 0.508 85 Y N -1.986 118.188 120.300 -0.210 0.000 2.527 85 Y HA 0.104 4.653 4.550 -0.001 0.000 0.247 85 Y C 1.513 177.097 175.900 -0.526 0.000 1.138 85 Y CA -0.273 57.570 58.100 -0.427 0.000 1.228 85 Y CB 0.487 38.786 38.460 -0.269 0.000 1.252 85 Y HN -0.131 nan 8.280 nan 0.000 0.531 86 V N 1.362 121.122 119.914 -0.256 0.000 2.439 86 V HA -0.368 3.751 4.120 -0.001 0.000 0.253 86 V C 2.206 178.116 176.094 -0.306 0.000 1.074 86 V CA 2.949 65.099 62.300 -0.249 0.000 1.076 86 V CB -0.363 31.288 31.823 -0.287 0.000 0.664 86 V HN 0.767 nan 8.190 nan 0.000 0.461 87 H N -2.271 116.587 119.070 -0.353 0.000 2.561 87 H HA -0.035 4.520 4.556 -0.001 0.000 0.278 87 H C 1.920 177.198 175.328 -0.084 0.000 1.014 87 H CA 1.344 57.258 56.048 -0.222 0.000 1.211 87 H CB -1.433 28.066 29.762 -0.439 0.000 1.365 87 H HN 0.499 nan 8.280 nan 0.000 0.594 88 C N 0.406 119.558 119.300 -0.247 0.000 2.456 88 C HA 0.071 4.530 4.460 -0.001 0.000 0.279 88 C C 2.401 177.401 174.990 0.017 0.000 1.427 88 C CA 0.277 59.257 59.018 -0.063 0.000 1.778 88 C CB -1.040 26.660 27.740 -0.067 0.000 1.842 88 C HN 0.627 nan 8.230 nan 0.000 0.531 89 L N 0.058 121.300 121.223 0.031 0.000 2.395 89 L HA -0.007 4.332 4.340 -0.001 0.000 0.218 89 L C 2.340 179.256 176.870 0.076 0.000 1.130 89 L CA 0.592 55.466 54.840 0.058 0.000 0.826 89 L CB -0.443 41.667 42.059 0.086 0.000 0.941 89 L HN 0.385 nan 8.230 nan 0.000 0.451 90 L N 0.100 121.395 121.223 0.120 0.000 1.970 90 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 90 L C -0.032 176.860 176.870 0.037 0.000 1.071 90 L CA 1.652 56.559 54.840 0.110 0.000 0.751 90 L CB -1.915 40.242 42.059 0.163 0.000 0.889 90 L HN 0.184 nan 8.230 nan 0.000 0.432 91 P HA -0.199 nan 4.420 nan 0.000 0.214 91 P C -1.374 175.910 177.300 -0.026 0.000 1.172 91 P CA 2.074 65.174 63.100 -0.001 0.000 0.925 91 P CB -1.281 30.426 31.700 0.012 0.000 0.793 92 P HA -0.123 nan 4.420 nan 0.000 0.218 92 P C 1.640 178.909 177.300 -0.052 0.000 1.149 92 P CA 1.482 64.550 63.100 -0.054 0.000 0.817 92 P CB -0.391 31.267 31.700 -0.070 0.000 0.785 93 L N -0.314 120.889 121.223 -0.033 0.000 2.072 93 L HA -0.091 4.249 4.340 -0.001 0.000 0.205 93 L C 2.967 179.811 176.870 -0.043 0.000 1.079 93 L CA 1.334 56.157 54.840 -0.028 0.000 0.752 93 L CB -0.893 41.169 42.059 0.006 0.000 0.906 93 L HN -0.003 nan 8.230 nan 0.000 0.436 94 E N -0.221 119.947 120.200 -0.054 0.000 2.049 94 E HA -0.295 4.054 4.350 -0.001 0.000 0.198 94 E C 2.278 178.831 176.600 -0.078 0.000 1.007 94 E CA 1.848 58.199 56.400 -0.082 0.000 0.809 94 E CB -0.044 29.601 29.700 -0.092 0.000 0.749 94 E HN 0.316 nan 8.360 nan 0.000 0.450 95 S N 0.094 115.750 115.700 -0.072 0.000 2.378 95 S HA -0.196 4.274 4.470 -0.001 0.000 0.221 95 S C 2.043 176.610 174.600 -0.054 0.000 1.037 95 S CA 1.605 59.763 58.200 -0.070 0.000 1.069 95 S CB -0.582 62.577 63.200 -0.068 0.000 1.006 95 S HN 0.415 nan 8.310 nan 0.000 0.423 96 L N 1.103 122.295 121.223 -0.052 0.000 2.270 96 L HA -0.200 4.139 4.340 -0.001 0.000 0.217 96 L C 2.721 179.569 176.870 -0.037 0.000 1.107 96 L CA 1.100 55.913 54.840 -0.045 0.000 0.772 96 L CB -0.593 41.437 42.059 -0.048 0.000 0.902 96 L HN 0.518 nan 8.230 nan 0.000 0.439 97 A N -1.040 121.756 122.820 -0.040 0.000 1.929 97 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 97 A C 2.109 179.673 177.584 -0.033 0.000 1.176 97 A CA 1.899 53.915 52.037 -0.036 0.000 0.628 97 A CB -0.492 18.479 19.000 -0.049 0.000 0.816 97 A HN 0.371 nan 8.150 nan 0.000 0.444 98 T N -0.023 114.513 114.554 -0.030 0.000 3.169 98 T HA 0.260 4.609 4.350 -0.001 0.000 0.250 98 T C 0.932 175.644 174.700 0.020 0.000 1.111 98 T CA 0.161 62.259 62.100 -0.003 0.000 1.010 98 T CB -0.339 68.534 68.868 0.009 0.000 0.984 98 T HN 0.122 nan 8.240 nan 0.000 0.537 99 V N 1.334 121.243 119.914 -0.009 0.000 3.994 99 V HA 0.026 4.146 4.120 -0.001 0.000 0.269 99 V C 1.589 177.653 176.094 -0.049 0.000 0.932 99 V CA 0.381 62.673 62.300 -0.014 0.000 0.938 99 V CB 0.318 32.122 31.823 -0.032 0.000 1.214 99 V HN 0.321 nan 8.190 nan 0.000 0.423 100 E N -0.322 119.843 120.200 -0.058 0.000 3.515 100 E HA 0.135 4.485 4.350 -0.001 0.000 0.347 100 E C 0.391 176.959 176.600 -0.053 0.000 0.651 100 E CA -0.430 55.926 56.400 -0.074 0.000 1.581 100 E CB -0.264 29.394 29.700 -0.071 0.000 2.413 100 E HN 0.705 nan 8.360 nan 0.000 0.520 101 E N 2.281 122.454 120.200 -0.045 0.000 3.580 101 E HA -0.196 4.154 4.350 -0.001 0.000 0.260 101 E C 0.812 177.400 176.600 -0.021 0.000 0.828 101 E CA 0.441 56.823 56.400 -0.030 0.000 0.984 101 E CB 0.102 29.779 29.700 -0.038 0.000 0.826 101 E HN 0.402 nan 8.360 nan 0.000 0.555 102 T N 0.813 115.364 114.554 -0.005 0.000 2.680 102 T HA -0.288 4.061 4.350 -0.001 0.000 0.268 102 T C 1.777 176.480 174.700 0.005 0.000 1.033 102 T CA 1.425 63.529 62.100 0.007 0.000 1.152 102 T CB -0.526 68.358 68.868 0.028 0.000 0.859 102 T HN 0.351 nan 8.240 nan 0.000 0.452 103 V N 1.353 121.269 119.914 0.003 0.000 2.311 103 V HA -0.229 3.890 4.120 -0.001 0.000 0.256 103 V C 2.883 178.977 176.094 -0.001 0.000 1.077 103 V CA 2.074 64.376 62.300 0.003 0.000 1.067 103 V CB -0.965 30.857 31.823 -0.002 0.000 0.659 103 V HN 0.481 nan 8.190 nan 0.000 0.451 104 V N -0.440 119.467 119.914 -0.012 0.000 2.323 104 V HA -0.194 3.926 4.120 -0.001 0.000 0.244 104 V C 2.557 178.643 176.094 -0.012 0.000 1.041 104 V CA 1.967 64.257 62.300 -0.018 0.000 1.025 104 V CB -0.736 31.067 31.823 -0.032 0.000 0.656 104 V HN 0.472 nan 8.190 nan 0.000 0.451 105 R N 0.107 120.600 120.500 -0.012 0.000 2.127 105 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 105 R C 1.955 178.259 176.300 0.008 0.000 1.134 105 R CA 1.690 57.785 56.100 -0.007 0.000 0.975 105 R CB -0.575 29.721 30.300 -0.008 0.000 0.865 105 R HN 0.563 nan 8.270 nan 0.000 0.447 106 D N 0.671 121.080 120.400 0.015 0.000 2.077 106 D HA -0.116 4.524 4.640 -0.001 0.000 0.196 106 D C 1.869 178.184 176.300 0.025 0.000 0.986 106 D CA 0.981 54.996 54.000 0.026 0.000 0.829 106 D CB -0.086 40.731 40.800 0.029 0.000 0.983 106 D HN -0.051 nan 8.370 nan 0.000 0.453 107 K N 0.982 121.393 120.400 0.017 0.000 2.074 107 K HA -0.083 4.237 4.320 -0.001 0.000 0.209 107 K C 2.047 178.658 176.600 0.017 0.000 1.048 107 K CA 1.011 57.309 56.287 0.018 0.000 0.926 107 K CB -0.642 31.862 32.500 0.007 0.000 0.713 107 K HN 0.079 nan 8.250 nan 0.000 0.444 108 A N 0.796 123.620 122.820 0.007 0.000 1.892 108 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 108 A C 2.526 180.122 177.584 0.020 0.000 1.188 108 A CA 2.100 54.139 52.037 0.003 0.000 0.631 108 A CB -0.724 18.269 19.000 -0.012 0.000 0.822 108 A HN 0.098 nan 8.150 nan 0.000 0.447 109 V N -0.228 119.701 119.914 0.025 0.000 2.323 109 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 109 V C 2.512 178.643 176.094 0.061 0.000 1.041 109 V CA 2.161 64.485 62.300 0.041 0.000 1.025 109 V CB -0.704 31.145 31.823 0.043 0.000 0.656 109 V HN 0.778 nan 8.190 nan 0.000 0.451 110 E N 0.176 120.410 120.200 0.056 0.000 2.097 110 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 110 E C 2.328 178.971 176.600 0.072 0.000 1.000 110 E CA 1.870 58.309 56.400 0.064 0.000 0.804 110 E CB -0.098 29.635 29.700 0.055 0.000 0.740 110 E HN 0.575 nan 8.360 nan 0.000 0.454 111 S N 0.533 116.272 115.700 0.064 0.000 2.355 111 S HA -0.092 4.378 4.470 -0.001 0.000 0.222 111 S C 1.969 176.626 174.600 0.096 0.000 1.031 111 S CA 0.759 59.002 58.200 0.073 0.000 0.993 111 S CB -0.231 63.002 63.200 0.054 0.000 0.859 111 S HN 0.282 nan 8.310 nan 0.000 0.453 112 L N 0.938 122.225 121.223 0.106 0.000 2.079 112 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 112 L C 2.658 179.631 176.870 0.171 0.000 1.081 112 L CA 1.341 56.290 54.840 0.181 0.000 0.752 112 L CB -0.327 41.822 42.059 0.149 0.000 0.896 112 L HN 0.268 nan 8.230 nan 0.000 0.433 113 R N -0.746 119.816 120.500 0.104 0.000 2.090 113 R HA -0.091 4.248 4.340 -0.001 0.000 0.228 113 R C 2.405 178.687 176.300 -0.030 0.000 1.110 113 R CA 1.131 57.244 56.100 0.022 0.000 0.973 113 R CB -0.408 29.937 30.300 0.076 0.000 0.869 113 R HN 0.345 nan 8.270 nan 0.000 0.440 114 A N 2.103 124.969 122.820 0.077 0.000 1.845 114 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 114 A C 2.183 179.837 177.584 0.115 0.000 1.195 114 A CA 1.671 53.795 52.037 0.145 0.000 0.616 114 A CB -0.731 18.340 19.000 0.119 0.000 0.832 114 A HN 0.477 nan 8.150 nan 0.000 0.443 115 I N -0.887 119.730 120.570 0.078 0.000 3.001 115 I HA -0.093 4.077 4.170 -0.001 0.000 0.268 115 I C 2.111 178.244 176.117 0.027 0.000 1.267 115 I CA 1.578 62.944 61.300 0.110 0.000 1.472 115 I CB -0.506 37.606 38.000 0.188 0.000 1.089 115 I HN 0.364 nan 8.210 nan 0.000 0.468 116 S N 1.381 116.871 115.700 -0.349 0.000 2.370 116 S HA -0.258 4.211 4.470 -0.001 0.000 0.226 116 S C 1.969 176.256 174.600 -0.522 0.000 1.033 116 S CA 1.359 59.021 58.200 -0.897 0.000 1.011 116 S CB -1.012 61.472 63.200 -1.193 0.000 0.852 116 S HN 0.617 nan 8.310 nan 0.000 0.457 117 H N 1.597 120.585 119.070 -0.136 0.000 2.489 117 H HA 0.104 4.660 4.556 -0.001 0.000 0.293 117 H C 2.099 177.425 175.328 -0.003 0.000 1.066 117 H CA 1.439 57.451 56.048 -0.060 0.000 1.305 117 H CB -0.186 29.556 29.762 -0.032 0.000 1.386 117 H HN 0.585 nan 8.280 nan 0.000 0.551 118 E N 0.879 121.159 120.200 0.133 0.000 2.112 118 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 118 E C 0.317 176.972 176.600 0.091 0.000 0.979 118 E CA 0.267 56.730 56.400 0.105 0.000 0.814 118 E CB -0.231 29.525 29.700 0.092 0.000 0.762 118 E HN 0.537 nan 8.360 nan 0.000 0.460 119 H N 1.094 120.131 119.070 -0.055 0.000 2.871 119 H HA 0.032 4.588 4.556 -0.001 0.000 0.355 119 H C 0.607 175.919 175.328 -0.028 0.000 1.092 119 H CA 0.042 56.070 56.048 -0.033 0.000 1.420 119 H CB 0.509 30.222 29.762 -0.082 0.000 1.400 119 H HN -0.041 nan 8.280 nan 0.000 0.604 120 S N 3.825 119.590 115.700 0.109 0.000 2.652 120 S HA 0.156 4.626 4.470 -0.001 0.000 0.270 120 S C -1.556 173.080 174.600 0.060 0.000 1.243 120 S CA -1.186 57.051 58.200 0.061 0.000 0.999 120 S CB 1.654 64.877 63.200 0.039 0.000 0.973 120 S HN 0.497 nan 8.310 nan 0.000 0.544 121 P HA -0.224 nan 4.420 nan 0.000 0.216 121 P C 1.747 179.061 177.300 0.023 0.000 1.157 121 P CA 2.015 65.124 63.100 0.015 0.000 0.880 121 P CB -0.286 31.416 31.700 0.003 0.000 0.791 122 S N -0.281 115.435 115.700 0.026 0.000 2.382 122 S HA -0.185 4.285 4.470 -0.001 0.000 0.228 122 S C 1.667 176.296 174.600 0.048 0.000 1.027 122 S CA 1.914 60.128 58.200 0.023 0.000 0.991 122 S CB -1.156 62.053 63.200 0.014 0.000 0.823 122 S HN -0.008 nan 8.310 nan 0.000 0.469 123 D N 0.620 121.081 120.400 0.101 0.000 2.234 123 D HA 0.129 4.769 4.640 -0.001 0.000 0.205 123 D C 1.880 178.343 176.300 0.271 0.000 0.962 123 D CA 0.438 54.562 54.000 0.207 0.000 0.855 123 D CB -0.141 40.792 40.800 0.221 0.000 0.951 123 D HN 0.350 nan 8.370 nan 0.000 0.500 124 L N 0.550 121.875 121.223 0.171 0.000 1.994 124 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 124 L C 2.219 179.153 176.870 0.107 0.000 1.071 124 L CA 1.372 56.281 54.840 0.115 0.000 0.745 124 L CB -0.247 41.813 42.059 0.003 0.000 0.892 124 L HN 0.086 nan 8.230 nan 0.000 0.431 125 E N -0.305 119.922 120.200 0.045 0.000 2.051 125 E HA -0.235 4.115 4.350 -0.001 0.000 0.192 125 E C 2.186 178.757 176.600 -0.048 0.000 0.991 125 E CA 1.239 57.638 56.400 -0.002 0.000 0.799 125 E CB -0.161 29.530 29.700 -0.015 0.000 0.748 125 E HN 0.513 nan 8.360 nan 0.000 0.449 126 A N 0.384 123.157 122.820 -0.079 0.000 1.930 126 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 126 A C 1.334 178.632 177.584 -0.476 0.000 1.175 126 A CA 1.692 53.559 52.037 -0.283 0.000 0.627 126 A CB -0.329 18.459 19.000 -0.353 0.000 0.815 126 A HN 0.254 nan 8.150 nan 0.000 0.443 127 H N -4.482 114.597 119.070 0.014 0.000 2.545 127 H HA 0.285 4.840 4.556 -0.001 0.000 0.251 127 H C 1.467 176.831 175.328 0.060 0.000 0.934 127 H CA 0.286 56.351 56.048 0.027 0.000 1.116 127 H CB -0.089 29.701 29.762 0.047 0.000 1.439 127 H HN 0.361 nan 8.280 nan 0.000 0.445 128 F N 1.432 121.419 119.950 0.061 0.000 2.022 128 F HA -0.168 4.359 4.527 -0.000 0.000 0.293 128 F C 2.138 177.843 175.800 -0.158 0.000 1.142 128 F CA 1.245 59.177 58.000 -0.113 0.000 1.177 128 F CB -0.565 38.252 39.000 -0.306 0.000 0.982 128 F HN -0.117 nan 8.300 nan 0.000 0.473 129 V N 1.255 121.173 119.914 0.007 0.000 2.278 129 V HA -0.301 3.819 4.120 -0.001 0.000 0.251 129 V C -0.491 175.440 176.094 -0.272 0.000 1.062 129 V CA 2.552 64.758 62.300 -0.158 0.000 1.038 129 V CB -1.943 29.831 31.823 -0.082 0.000 0.646 129 V HN 0.237 nan 8.190 nan 0.000 0.447 130 P HA -0.168 nan 4.420 nan 0.000 0.217 130 P C 1.852 179.018 177.300 -0.224 0.000 1.148 130 P CA 1.250 64.239 63.100 -0.186 0.000 0.828 130 P CB -0.107 31.514 31.700 -0.131 0.000 0.783 131 L N -1.261 119.794 121.223 -0.280 0.000 2.156 131 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 131 L C 1.919 178.551 176.870 -0.396 0.000 1.095 131 L CA 1.742 56.390 54.840 -0.321 0.000 0.770 131 L CB -1.189 40.636 42.059 -0.390 0.000 0.914 131 L HN -0.193 nan 8.230 nan 0.000 0.439 132 V N 0.091 119.695 119.914 -0.517 0.000 2.307 132 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 132 V C 2.607 178.460 176.094 -0.403 0.000 1.045 132 V CA 2.118 64.085 62.300 -0.555 0.000 1.024 132 V CB -0.730 30.651 31.823 -0.736 0.000 0.651 132 V HN 0.461 nan 8.190 nan 0.000 0.449 133 K N 0.174 120.338 120.400 -0.394 0.000 1.973 133 K HA -0.158 4.162 4.320 -0.001 0.000 0.212 133 K C 2.302 178.851 176.600 -0.085 0.000 1.047 133 K CA 1.626 57.746 56.287 -0.279 0.000 0.937 133 K CB -0.357 31.931 32.500 -0.352 0.000 0.721 133 K HN 0.341 nan 8.250 nan 0.000 0.440 134 R N 0.808 121.239 120.500 -0.114 0.000 2.185 134 R HA -0.154 4.186 4.340 -0.001 0.000 0.247 134 R C 2.271 178.523 176.300 -0.080 0.000 1.159 134 R CA 1.133 57.184 56.100 -0.082 0.000 0.988 134 R CB -0.423 29.812 30.300 -0.108 0.000 0.871 134 R HN 0.236 nan 8.270 nan 0.000 0.458 135 L N -0.550 120.609 121.223 -0.106 0.000 2.162 135 L HA -0.002 4.337 4.340 -0.001 0.000 0.205 135 L C 2.527 179.394 176.870 -0.005 0.000 1.086 135 L CA 0.671 55.464 54.840 -0.078 0.000 0.778 135 L CB -0.325 41.660 42.059 -0.124 0.000 0.928 135 L HN 0.203 nan 8.230 nan 0.000 0.446 136 A N 0.120 122.955 122.820 0.024 0.000 1.832 136 A HA -0.064 4.256 4.320 -0.001 0.000 0.214 136 A C 2.032 179.694 177.584 0.131 0.000 1.204 136 A CA 1.387 53.503 52.037 0.132 0.000 0.606 136 A CB -1.320 17.846 19.000 0.277 0.000 0.849 136 A HN 0.374 nan 8.150 nan 0.000 0.445 137 G N 0.067 108.963 108.800 0.160 0.000 3.186 137 G HA2 0.391 4.351 3.960 -0.001 0.000 0.214 137 G HA3 0.391 4.351 3.960 -0.001 0.000 0.214 137 G C 0.630 175.567 174.900 0.061 0.000 1.222 137 G CA 0.456 45.631 45.100 0.125 0.000 0.921 137 G HN 0.726 nan 8.290 nan 0.000 0.504 138 G N -0.667 108.159 108.800 0.043 0.000 2.537 138 G HA2 0.343 4.303 3.960 -0.001 0.000 0.273 138 G HA3 0.343 4.303 3.960 -0.001 0.000 0.273 138 G C 0.277 175.205 174.900 0.047 0.000 1.189 138 G CA -0.364 44.740 45.100 0.007 0.000 0.881 138 G HN 0.092 nan 8.290 nan 0.000 0.535 139 D N -0.158 120.261 120.400 0.032 0.000 2.083 139 D HA -0.051 4.588 4.640 -0.001 0.000 0.225 139 D C 0.754 177.220 176.300 0.276 0.000 0.974 139 D CA 0.607 54.686 54.000 0.131 0.000 0.906 139 D CB -0.277 40.602 40.800 0.132 0.000 1.028 139 D HN 0.345 nan 8.370 nan 0.000 0.446 140 W N 1.111 122.418 121.300 0.011 0.000 2.649 140 W HA -0.186 4.474 4.660 -0.000 0.000 0.339 140 W C 1.604 178.156 176.519 0.055 0.000 1.181 140 W CA -0.385 56.965 57.345 0.008 0.000 1.426 140 W CB -0.598 28.823 29.460 -0.065 0.000 1.218 140 W HN 0.138 nan 8.180 nan 0.000 0.603 141 F N 0.203 120.262 119.950 0.182 0.000 2.220 141 F HA -0.070 4.457 4.527 -0.001 0.000 0.290 141 F C 2.128 177.980 175.800 0.087 0.000 1.080 141 F CA 1.747 59.802 58.000 0.091 0.000 1.318 141 F CB -1.512 37.504 39.000 0.027 0.000 1.063 141 F HN 0.230 nan 8.300 nan 0.000 0.498 142 T N -1.881 112.228 114.554 -0.742 0.000 2.737 142 T HA -0.250 4.099 4.350 -0.001 0.000 0.269 142 T C 2.188 176.849 174.700 -0.066 0.000 1.040 142 T CA 1.587 63.415 62.100 -0.454 0.000 1.142 142 T CB -1.321 67.230 68.868 -0.529 0.000 0.861 142 T HN 0.418 nan 8.240 nan 0.000 0.456 143 S N 0.557 116.258 115.700 0.001 0.000 2.465 143 S HA -0.073 4.397 4.470 -0.001 0.000 0.241 143 S C 2.159 176.787 174.600 0.046 0.000 1.000 143 S CA 1.022 59.237 58.200 0.026 0.000 0.964 143 S CB -0.288 62.933 63.200 0.035 0.000 0.763 143 S HN 0.594 nan 8.310 nan 0.000 0.512 144 R N -0.847 119.715 120.500 0.104 0.000 2.142 144 R HA 0.187 4.527 4.340 -0.001 0.000 0.204 144 R C 2.517 178.891 176.300 0.123 0.000 1.059 144 R CA 1.011 57.179 56.100 0.114 0.000 1.055 144 R CB -0.850 29.530 30.300 0.133 0.000 0.976 144 R HN 0.278 nan 8.270 nan 0.000 0.483 145 T N -0.040 114.621 114.554 0.179 0.000 2.760 145 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 145 T C 1.509 176.276 174.700 0.113 0.000 1.047 145 T CA 2.002 64.204 62.100 0.170 0.000 1.139 145 T CB -0.123 68.900 68.868 0.258 0.000 0.855 145 T HN 0.171 nan 8.240 nan 0.000 0.471 146 S N -0.016 115.732 115.700 0.081 0.000 2.503 146 S HA 0.350 4.820 4.470 -0.001 0.000 0.217 146 S C 2.283 176.910 174.600 0.045 0.000 0.999 146 S CA 0.477 58.709 58.200 0.054 0.000 0.914 146 S CB -0.003 63.207 63.200 0.017 0.000 0.782 146 S HN 0.584 nan 8.310 nan 0.000 0.520 147 A N 0.491 123.343 122.820 0.053 0.000 2.015 147 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 147 A C 2.191 179.885 177.584 0.183 0.000 1.163 147 A CA 1.005 53.063 52.037 0.034 0.000 0.646 147 A CB -1.110 17.927 19.000 0.061 0.000 0.806 147 A HN 0.600 nan 8.150 nan 0.000 0.448 148 C N -0.968 118.475 119.300 0.239 0.000 2.425 148 C HA -0.017 4.442 4.460 -0.001 0.000 0.277 148 C C 2.664 177.879 174.990 0.376 0.000 1.280 148 C CA 0.732 59.962 59.018 0.353 0.000 1.744 148 C CB -1.476 26.372 27.740 0.181 0.000 1.989 148 C HN 0.693 nan 8.230 nan 0.000 0.491 149 G N -0.460 108.469 108.800 0.215 0.000 2.956 149 G HA2 0.185 4.145 3.960 -0.001 0.000 0.207 149 G HA3 0.185 4.145 3.960 -0.001 0.000 0.207 149 G C 1.008 175.994 174.900 0.143 0.000 1.162 149 G CA 0.164 45.369 45.100 0.174 0.000 0.796 149 G HN 0.582 nan 8.290 nan 0.000 0.527 150 L N -1.255 120.033 121.223 0.107 0.000 2.906 150 L HA 0.400 4.740 4.340 -0.001 0.000 0.255 150 L C 1.434 178.289 176.870 -0.025 0.000 1.166 150 L CA -0.281 54.572 54.840 0.022 0.000 0.977 150 L CB 0.164 42.141 42.059 -0.138 0.000 1.313 150 L HN 0.052 nan 8.230 nan 0.000 0.549 151 F N 0.364 120.319 119.950 0.007 0.000 2.270 151 F HA -0.110 4.417 4.527 -0.001 0.000 0.295 151 F C 2.816 178.654 175.800 0.064 0.000 1.087 151 F CA 1.339 59.291 58.000 -0.080 0.000 1.365 151 F CB -0.146 38.545 39.000 -0.516 0.000 1.056 151 F HN 0.116 nan 8.300 nan 0.000 0.506 152 S N 0.175 116.044 115.700 0.281 0.000 2.423 152 S HA -0.131 4.339 4.470 -0.001 0.000 0.231 152 S C 2.045 176.783 174.600 0.230 0.000 1.014 152 S CA 1.109 59.492 58.200 0.305 0.000 0.965 152 S CB -1.266 62.070 63.200 0.227 0.000 0.785 152 S HN 0.275 nan 8.310 nan 0.000 0.495 153 V N 0.807 120.808 119.914 0.146 0.000 2.591 153 V HA -0.057 4.063 4.120 -0.001 0.000 0.249 153 V C 2.554 178.635 176.094 -0.021 0.000 1.053 153 V CA 0.947 63.262 62.300 0.026 0.000 1.068 153 V CB -1.712 30.018 31.823 -0.154 0.000 0.689 153 V HN 0.823 nan 8.190 nan 0.000 0.462 154 C N -2.186 117.144 119.300 0.051 0.000 2.590 154 C HA 0.245 4.704 4.460 -0.001 0.000 0.272 154 C C 2.489 177.559 174.990 0.134 0.000 1.338 154 C CA 0.146 59.183 59.018 0.031 0.000 1.746 154 C CB -1.641 26.151 27.740 0.087 0.000 2.020 154 C HN 0.571 nan 8.230 nan 0.000 0.531 155 Y N 3.980 124.366 120.300 0.144 0.000 2.081 155 Y HA -0.067 4.483 4.550 -0.001 0.000 0.280 155 Y C -0.446 175.519 175.900 0.109 0.000 1.163 155 Y CA 2.380 60.592 58.100 0.187 0.000 1.135 155 Y CB -1.583 37.076 38.460 0.332 0.000 0.970 155 Y HN 0.207 nan 8.280 nan 0.000 0.498 156 P HA -0.159 nan 4.420 nan 0.000 0.216 156 P C 0.905 178.170 177.300 -0.058 0.000 1.150 156 P CA 2.317 65.430 63.100 0.021 0.000 0.837 156 P CB -0.059 31.703 31.700 0.105 0.000 0.786 157 R N -0.813 119.667 120.500 -0.034 0.000 2.246 157 R HA 0.107 4.447 4.340 -0.001 0.000 0.199 157 R C 1.031 177.296 176.300 -0.058 0.000 0.984 157 R CA 0.180 56.257 56.100 -0.038 0.000 1.015 157 R CB -0.611 29.679 30.300 -0.016 0.000 0.930 157 R HN 0.191 nan 8.270 nan 0.000 0.475 158 V N -0.277 119.588 119.914 -0.082 0.000 3.336 158 V HA 0.235 4.355 4.120 -0.001 0.000 0.304 158 V C 0.721 176.756 176.094 -0.098 0.000 1.073 158 V CA -1.152 61.105 62.300 -0.071 0.000 1.074 158 V CB 1.337 33.131 31.823 -0.047 0.000 1.161 158 V HN 0.211 nan 8.190 nan 0.000 0.460 159 S N 0.866 116.528 115.700 -0.064 0.000 2.584 159 S HA 0.117 4.586 4.470 -0.001 0.000 0.270 159 S C 1.209 175.767 174.600 -0.070 0.000 1.346 159 S CA 0.169 58.335 58.200 -0.056 0.000 1.018 159 S CB 0.718 63.902 63.200 -0.027 0.000 0.899 159 S HN 1.085 nan 8.310 nan 0.000 0.542 160 S N 2.386 118.054 115.700 -0.054 0.000 2.374 160 S HA -0.180 4.290 4.470 -0.001 0.000 0.227 160 S C 2.182 176.781 174.600 -0.002 0.000 1.037 160 S CA 1.231 59.407 58.200 -0.040 0.000 1.024 160 S CB -1.223 61.967 63.200 -0.017 0.000 0.861 160 S HN 1.002 nan 8.310 nan 0.000 0.456 161 A N 1.306 124.131 122.820 0.008 0.000 1.902 161 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 161 A C 2.379 179.997 177.584 0.057 0.000 1.181 161 A CA 1.620 53.678 52.037 0.035 0.000 0.623 161 A CB -0.883 18.133 19.000 0.026 0.000 0.818 161 A HN 0.380 nan 8.150 nan 0.000 0.443 162 V N 0.389 120.324 119.914 0.036 0.000 2.548 162 V HA -0.206 3.914 4.120 -0.001 0.000 0.249 162 V C 2.330 178.488 176.094 0.108 0.000 1.055 162 V CA 1.863 64.198 62.300 0.060 0.000 1.065 162 V CB -0.673 31.163 31.823 0.022 0.000 0.681 162 V HN 0.476 nan 8.190 nan 0.000 0.462 163 K N 0.808 121.230 120.400 0.037 0.000 2.020 163 K HA -0.220 4.100 4.320 -0.001 0.000 0.212 163 K C 2.390 179.215 176.600 0.375 0.000 1.050 163 K CA 1.706 58.038 56.287 0.074 0.000 0.929 163 K CB -0.602 31.759 32.500 -0.231 0.000 0.714 163 K HN 0.470 nan 8.250 nan 0.000 0.443 164 A N 2.040 125.004 122.820 0.240 0.000 1.869 164 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 164 A C 2.074 179.831 177.584 0.288 0.000 1.203 164 A CA 1.949 54.129 52.037 0.239 0.000 0.638 164 A CB -0.706 18.387 19.000 0.154 0.000 0.831 164 A HN 0.370 nan 8.150 nan 0.000 0.450 165 E N -0.505 119.858 120.200 0.271 0.000 2.065 165 E HA -0.249 4.101 4.350 -0.001 0.000 0.201 165 E C 2.039 178.955 176.600 0.526 0.000 1.016 165 E CA 1.584 58.206 56.400 0.369 0.000 0.818 165 E CB -0.412 29.462 29.700 0.290 0.000 0.749 165 E HN 0.644 nan 8.360 nan 0.000 0.453 166 L N 0.426 121.919 121.223 0.451 0.000 2.042 166 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 166 L C 2.690 179.904 176.870 0.575 0.000 1.076 166 L CA 1.269 56.458 54.840 0.581 0.000 0.749 166 L CB -0.371 42.067 42.059 0.632 0.000 0.893 166 L HN 0.090 nan 8.230 nan 0.000 0.432 167 R N -0.522 120.294 120.500 0.528 0.000 2.080 167 R HA -0.245 4.095 4.340 -0.001 0.000 0.236 167 R C 2.309 178.797 176.300 0.313 0.000 1.137 167 R CA 1.824 58.183 56.100 0.432 0.000 0.943 167 R CB -0.424 30.069 30.300 0.321 0.000 0.846 167 R HN 0.277 nan 8.270 nan 0.000 0.431 168 Q N 0.246 120.215 119.800 0.281 0.000 2.045 168 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 168 Q C 1.759 177.821 176.000 0.103 0.000 0.991 168 Q CA 1.918 57.809 55.803 0.147 0.000 0.851 168 Q CB -0.448 28.334 28.738 0.074 0.000 0.911 168 Q HN 0.378 nan 8.270 nan 0.000 0.418 169 Y N -0.945 119.433 120.300 0.130 0.000 2.224 169 Y HA -0.170 4.379 4.550 -0.001 0.000 0.289 169 Y C 1.996 177.843 175.900 -0.089 0.000 1.146 169 Y CA 1.247 59.417 58.100 0.116 0.000 1.182 169 Y CB -0.648 38.010 38.460 0.330 0.000 0.983 169 Y HN 0.213 nan 8.280 nan 0.000 0.524 170 F N 0.684 120.457 119.950 -0.295 0.000 2.134 170 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 170 F C 2.376 178.034 175.800 -0.237 0.000 1.097 170 F CA 1.416 59.002 58.000 -0.691 0.000 1.264 170 F CB -0.299 38.090 39.000 -1.018 0.000 1.001 170 F HN -0.143 nan 8.300 nan 0.000 0.479 171 R N 0.215 120.708 120.500 -0.011 0.000 2.103 171 R HA -0.229 4.111 4.340 -0.001 0.000 0.234 171 R C 1.916 178.144 176.300 -0.120 0.000 1.132 171 R CA 1.803 57.891 56.100 -0.020 0.000 0.925 171 R CB -0.965 29.354 30.300 0.032 0.000 0.842 171 R HN 0.315 nan 8.270 nan 0.000 0.430 172 N N 0.928 119.566 118.700 -0.103 0.000 2.247 172 N HA -0.198 4.542 4.740 -0.001 0.000 0.189 172 N C 1.815 177.246 175.510 -0.132 0.000 1.009 172 N CA 1.179 54.165 53.050 -0.106 0.000 0.872 172 N CB -0.296 38.127 38.487 -0.108 0.000 0.980 172 N HN 0.277 nan 8.380 nan 0.000 0.436 173 L N -0.255 120.835 121.223 -0.221 0.000 2.217 173 L HA -0.059 4.280 4.340 -0.001 0.000 0.211 173 L C 2.044 178.742 176.870 -0.287 0.000 1.107 173 L CA 0.512 55.193 54.840 -0.266 0.000 0.783 173 L CB -0.094 41.714 42.059 -0.418 0.000 0.919 173 L HN 0.206 nan 8.230 nan 0.000 0.442 174 C N -0.831 118.277 119.300 -0.320 0.000 2.450 174 C HA -0.065 4.394 4.460 -0.001 0.000 0.279 174 C C 2.593 177.510 174.990 -0.122 0.000 1.335 174 C CA 0.958 59.849 59.018 -0.211 0.000 1.749 174 C CB -0.668 26.988 27.740 -0.141 0.000 1.963 174 C HN 0.617 nan 8.230 nan 0.000 0.501 175 S N -0.162 115.474 115.700 -0.106 0.000 2.622 175 S HA 0.101 4.571 4.470 -0.001 0.000 0.236 175 S C -0.265 174.294 174.600 -0.069 0.000 0.956 175 S CA -0.241 57.915 58.200 -0.075 0.000 0.971 175 S CB -0.579 62.586 63.200 -0.060 0.000 0.782 175 S HN 0.624 nan 8.310 nan 0.000 0.468 176 D N 1.692 122.045 120.400 -0.079 0.000 2.419 176 D HA 0.038 4.677 4.640 -0.001 0.000 0.236 176 D C 0.587 176.856 176.300 -0.052 0.000 1.165 176 D CA 0.226 54.190 54.000 -0.059 0.000 0.882 176 D CB 0.608 41.374 40.800 -0.057 0.000 1.201 176 D HN 0.054 nan 8.370 nan 0.000 0.443 177 D N 1.169 121.545 120.400 -0.040 0.000 2.347 177 D HA -0.039 4.601 4.640 -0.001 0.000 0.215 177 D C 0.059 176.327 176.300 -0.053 0.000 0.976 177 D CA 0.775 54.751 54.000 -0.041 0.000 0.884 177 D CB -0.004 40.780 40.800 -0.028 0.000 0.915 177 D HN 0.293 nan 8.370 nan 0.000 0.526 178 T N 1.396 115.913 114.554 -0.062 0.000 2.767 178 T HA 0.207 4.556 4.350 -0.001 0.000 0.288 178 T C -1.770 172.865 174.700 -0.109 0.000 0.963 178 T CA -1.606 60.436 62.100 -0.097 0.000 1.019 178 T CB 2.297 71.092 68.868 -0.122 0.000 0.923 178 T HN -0.227 nan 8.240 nan 0.000 0.468 179 P HA -0.114 nan 4.420 nan 0.000 0.216 179 P C 1.747 178.980 177.300 -0.113 0.000 1.153 179 P CA 1.093 64.129 63.100 -0.106 0.000 0.858 179 P CB 0.090 31.727 31.700 -0.105 0.000 0.789 180 M N -0.971 118.529 119.600 -0.167 0.000 2.067 180 M HA -0.148 4.332 4.480 -0.001 0.000 0.260 180 M C 1.645 177.897 176.300 -0.080 0.000 1.069 180 M CA 1.738 56.945 55.300 -0.154 0.000 1.117 180 M CB -0.597 31.823 32.600 -0.300 0.000 1.334 180 M HN -0.250 nan 8.290 nan 0.000 0.407 181 V N 0.099 119.968 119.914 -0.075 0.000 2.982 181 V HA -0.240 3.880 4.120 -0.001 0.000 0.265 181 V C 2.082 178.142 176.094 -0.056 0.000 1.122 181 V CA 1.442 63.731 62.300 -0.018 0.000 1.143 181 V CB -1.109 30.716 31.823 0.003 0.000 0.726 181 V HN 0.437 nan 8.190 nan 0.000 0.507 182 R N -0.428 120.032 120.500 -0.067 0.000 2.123 182 R HA 0.142 4.481 4.340 -0.001 0.000 0.209 182 R C 2.540 178.813 176.300 -0.045 0.000 1.078 182 R CA 0.260 56.317 56.100 -0.072 0.000 1.028 182 R CB -0.130 30.127 30.300 -0.071 0.000 0.939 182 R HN 0.401 nan 8.270 nan 0.000 0.463 183 R N 0.655 121.134 120.500 -0.037 0.000 2.105 183 R HA -0.072 4.268 4.340 -0.001 0.000 0.239 183 R C 2.222 178.531 176.300 0.014 0.000 1.135 183 R CA 1.484 57.577 56.100 -0.012 0.000 0.967 183 R CB -0.284 30.005 30.300 -0.020 0.000 0.861 183 R HN 0.153 nan 8.270 nan 0.000 0.442 184 A N 1.309 124.136 122.820 0.013 0.000 1.873 184 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 184 A C 2.406 180.018 177.584 0.046 0.000 1.186 184 A CA 1.595 53.657 52.037 0.043 0.000 0.616 184 A CB -0.658 18.375 19.000 0.054 0.000 0.823 184 A HN 0.379 nan 8.150 nan 0.000 0.442 185 A N -0.082 122.719 122.820 -0.032 0.000 1.908 185 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 185 A C 2.507 180.152 177.584 0.101 0.000 1.181 185 A CA 2.303 54.270 52.037 -0.116 0.000 0.627 185 A CB -1.052 17.723 19.000 -0.375 0.000 0.818 185 A HN 1.078 nan 8.150 nan 0.000 0.445 186 A N 0.310 123.175 122.820 0.076 0.000 1.877 186 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 186 A C 2.437 180.115 177.584 0.158 0.000 1.186 186 A CA 2.355 54.471 52.037 0.132 0.000 0.620 186 A CB -1.070 17.978 19.000 0.080 0.000 0.822 186 A HN 1.147 nan 8.150 nan 0.000 0.443 187 S N -1.580 114.194 115.700 0.123 0.000 2.595 187 S HA 0.030 4.500 4.470 -0.001 0.000 0.235 187 S C 1.181 175.868 174.600 0.145 0.000 0.974 187 S CA 1.020 59.291 58.200 0.118 0.000 0.942 187 S CB 0.004 63.259 63.200 0.090 0.000 0.766 187 S HN 0.403 nan 8.310 nan 0.000 0.536 188 K N 0.096 120.623 120.400 0.211 0.000 2.438 188 K HA 0.353 4.673 4.320 -0.001 0.000 0.206 188 K C 1.168 177.919 176.600 0.252 0.000 1.081 188 K CA -0.097 56.331 56.287 0.234 0.000 1.053 188 K CB 0.110 32.782 32.500 0.288 0.000 0.908 188 K HN 0.348 nan 8.250 nan 0.000 0.556 189 L N 1.028 122.435 121.223 0.306 0.000 2.093 189 L HA -0.004 4.335 4.340 -0.001 0.000 0.208 189 L C 1.832 178.740 176.870 0.063 0.000 1.085 189 L CA 2.061 57.046 54.840 0.241 0.000 0.755 189 L CB -0.787 41.467 42.059 0.325 0.000 0.904 189 L HN 0.190 nan 8.230 nan 0.000 0.435 190 G N -0.351 108.486 108.800 0.063 0.000 2.480 190 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.216 190 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.216 190 G C 1.373 176.263 174.900 -0.016 0.000 1.200 190 G CA 0.831 45.930 45.100 -0.001 0.000 0.782 190 G HN 0.665 nan 8.290 nan 0.000 0.554 191 E N -0.716 119.501 120.200 0.028 0.000 2.110 191 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 191 E C 2.173 178.793 176.600 0.033 0.000 0.988 191 E CA 1.025 57.447 56.400 0.036 0.000 0.804 191 E CB -0.471 29.274 29.700 0.075 0.000 0.745 191 E HN 0.328 nan 8.360 nan 0.000 0.458 192 F N 1.976 121.801 119.950 -0.209 0.000 2.134 192 F HA 0.022 4.549 4.527 -0.001 0.000 0.299 192 F C 2.290 177.889 175.800 -0.335 0.000 1.097 192 F CA 1.090 58.872 58.000 -0.362 0.000 1.264 192 F CB -0.814 37.698 39.000 -0.815 0.000 1.001 192 F HN 0.138 nan 8.300 nan 0.000 0.479 193 A N 0.482 123.090 122.820 -0.354 0.000 1.883 193 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 193 A C 2.163 179.569 177.584 -0.296 0.000 1.186 193 A CA 2.165 53.972 52.037 -0.382 0.000 0.624 193 A CB -0.920 17.948 19.000 -0.220 0.000 0.822 193 A HN 0.333 nan 8.150 nan 0.000 0.444 194 K N 0.519 120.813 120.400 -0.177 0.000 2.360 194 K HA -0.091 4.229 4.320 -0.001 0.000 0.201 194 K C 1.185 177.727 176.600 -0.096 0.000 1.046 194 K CA 1.762 57.982 56.287 -0.111 0.000 0.940 194 K CB -0.691 31.775 32.500 -0.056 0.000 0.748 194 K HN 0.647 nan 8.250 nan 0.000 0.465 195 V N -1.394 118.439 119.914 -0.135 0.000 3.376 195 V HA 0.387 4.506 4.120 -0.001 0.000 0.313 195 V C 0.225 176.286 176.094 -0.055 0.000 1.393 195 V CA -0.555 61.725 62.300 -0.033 0.000 1.125 195 V CB -0.591 31.296 31.823 0.107 0.000 1.037 195 V HN 0.013 nan 8.190 nan 0.000 0.440 196 L N 0.452 121.523 121.223 -0.253 0.000 2.352 196 L HA 0.654 4.993 4.340 -0.001 0.000 0.269 196 L C 0.191 177.025 176.870 -0.060 0.000 1.034 196 L CA -0.894 53.819 54.840 -0.211 0.000 0.806 196 L CB 1.326 43.080 42.059 -0.509 0.000 1.244 196 L HN 0.100 nan 8.230 nan 0.000 0.447 197 E N 0.490 120.703 120.200 0.022 0.000 2.398 197 E HA 0.010 4.359 4.350 -0.001 0.000 0.263 197 E C 0.586 177.165 176.600 -0.035 0.000 1.046 197 E CA -0.350 56.054 56.400 0.008 0.000 0.908 197 E CB 0.619 30.339 29.700 0.033 0.000 0.963 197 E HN 0.353 nan 8.360 nan 0.000 0.431 198 L N 2.442 123.645 121.223 -0.033 0.000 2.021 198 L HA -0.304 4.036 4.340 -0.001 0.000 0.215 198 L C 1.113 177.959 176.870 -0.039 0.000 1.074 198 L CA 2.086 56.900 54.840 -0.043 0.000 0.760 198 L CB -0.448 41.592 42.059 -0.032 0.000 0.889 198 L HN 0.577 nan 8.230 nan 0.000 0.433 199 D N -0.291 120.096 120.400 -0.022 0.000 2.127 199 D HA -0.224 4.416 4.640 -0.001 0.000 0.190 199 D C 1.862 178.150 176.300 -0.020 0.000 1.000 199 D CA 1.741 55.733 54.000 -0.014 0.000 0.839 199 D CB -0.461 40.339 40.800 -0.000 0.000 0.955 199 D HN 0.432 nan 8.370 nan 0.000 0.446 200 N N 0.072 118.757 118.700 -0.025 0.000 2.453 200 N HA -0.078 4.661 4.740 -0.001 0.000 0.183 200 N C 1.837 177.296 175.510 -0.086 0.000 1.041 200 N CA 0.188 53.215 53.050 -0.040 0.000 0.900 200 N CB 0.083 38.551 38.487 -0.032 0.000 0.961 200 N HN 0.124 nan 8.380 nan 0.000 0.443 201 V N 1.131 120.984 119.914 -0.101 0.000 2.453 201 V HA -0.143 3.977 4.120 -0.001 0.000 0.247 201 V C 2.170 178.223 176.094 -0.067 0.000 1.048 201 V CA 1.414 63.641 62.300 -0.121 0.000 1.049 201 V CB -0.236 31.511 31.823 -0.126 0.000 0.672 201 V HN 0.194 nan 8.190 nan 0.000 0.457 202 K N 0.773 121.146 120.400 -0.045 0.000 2.031 202 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 202 K C 2.385 178.982 176.600 -0.004 0.000 1.049 202 K CA 1.664 57.938 56.287 -0.021 0.000 0.939 202 K CB -0.280 32.210 32.500 -0.017 0.000 0.717 202 K HN 0.594 nan 8.250 nan 0.000 0.438 203 S N 0.057 115.754 115.700 -0.005 0.000 2.446 203 S HA -0.004 4.465 4.470 -0.001 0.000 0.225 203 S C 1.640 176.249 174.600 0.015 0.000 1.016 203 S CA 0.796 59.000 58.200 0.008 0.000 0.943 203 S CB 0.131 63.337 63.200 0.010 0.000 0.786 203 S HN 0.160 nan 8.310 nan 0.000 0.508 204 E N 0.329 120.531 120.200 0.004 0.000 2.288 204 E HA 0.345 4.694 4.350 -0.001 0.000 0.200 204 E C 1.869 178.487 176.600 0.030 0.000 0.880 204 E CA 0.122 56.534 56.400 0.020 0.000 0.971 204 E CB -0.034 29.673 29.700 0.013 0.000 0.954 204 E HN 0.251 nan 8.360 nan 0.000 0.489 205 I N 1.360 121.921 120.570 -0.015 0.000 2.142 205 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 205 I C 2.103 178.277 176.117 0.094 0.000 1.078 205 I CA 1.022 62.328 61.300 0.009 0.000 1.343 205 I CB -0.852 37.095 38.000 -0.089 0.000 1.046 205 I HN 0.178 nan 8.210 nan 0.000 0.405 206 I N 1.240 121.855 120.570 0.075 0.000 2.113 206 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 206 I C 0.003 176.217 176.117 0.162 0.000 1.064 206 I CA 2.272 63.659 61.300 0.146 0.000 1.320 206 I CB -2.650 35.402 38.000 0.086 0.000 1.028 206 I HN 0.128 nan 8.210 nan 0.000 0.406 207 P HA -0.126 nan 4.420 nan 0.000 0.216 207 P C 2.178 179.516 177.300 0.063 0.000 1.153 207 P CA 1.492 64.629 63.100 0.062 0.000 0.848 207 P CB -0.058 31.669 31.700 0.045 0.000 0.787 208 M N -2.662 116.999 119.600 0.101 0.000 2.086 208 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 208 M C 2.097 178.466 176.300 0.116 0.000 1.067 208 M CA 1.764 57.129 55.300 0.109 0.000 1.116 208 M CB -1.093 31.615 32.600 0.181 0.000 1.348 208 M HN -0.087 nan 8.290 nan 0.000 0.407 209 F N 1.432 121.406 119.950 0.039 0.000 2.069 209 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 209 F C 2.511 178.321 175.800 0.017 0.000 1.113 209 F CA 1.908 59.926 58.000 0.030 0.000 1.214 209 F CB -0.743 38.267 39.000 0.017 0.000 0.978 209 F HN 0.014 nan 8.300 nan 0.000 0.474 210 S N 0.691 116.254 115.700 -0.228 0.000 2.365 210 S HA -0.275 4.195 4.470 -0.001 0.000 0.225 210 S C 1.966 176.410 174.600 -0.259 0.000 1.039 210 S CA 1.501 59.521 58.200 -0.299 0.000 1.033 210 S CB -0.705 62.449 63.200 -0.078 0.000 0.887 210 S HN 0.499 nan 8.310 nan 0.000 0.447 211 N N 1.287 119.900 118.700 -0.145 0.000 2.084 211 N HA -0.015 4.724 4.740 -0.001 0.000 0.190 211 N C 1.657 177.088 175.510 -0.132 0.000 1.030 211 N CA 1.142 54.127 53.050 -0.107 0.000 0.849 211 N CB -0.424 38.030 38.487 -0.056 0.000 1.012 211 N HN 0.355 nan 8.380 nan 0.000 0.423 212 L N 0.485 121.626 121.223 -0.138 0.000 2.201 212 L HA -0.068 4.272 4.340 -0.001 0.000 0.212 212 L C 2.341 179.106 176.870 -0.174 0.000 1.105 212 L CA 0.891 55.661 54.840 -0.117 0.000 0.775 212 L CB -0.328 41.704 42.059 -0.045 0.000 0.913 212 L HN 0.117 nan 8.230 nan 0.000 0.440 213 A N -0.425 122.198 122.820 -0.327 0.000 2.014 213 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 213 A C 1.873 179.345 177.584 -0.187 0.000 1.163 213 A CA 1.309 53.154 52.037 -0.321 0.000 0.652 213 A CB -0.286 18.369 19.000 -0.574 0.000 0.808 213 A HN 0.433 nan 8.150 nan 0.000 0.449 214 S N -0.060 115.540 115.700 -0.166 0.000 2.438 214 S HA 0.363 4.833 4.470 -0.001 0.000 0.227 214 S C -0.642 173.906 174.600 -0.086 0.000 1.265 214 S CA -0.488 57.648 58.200 -0.107 0.000 1.265 214 S CB -0.385 62.758 63.200 -0.096 0.000 0.987 214 S HN 0.343 nan 8.310 nan 0.000 0.502 215 D N 1.296 121.646 120.400 -0.084 0.000 2.264 215 D HA 0.155 4.795 4.640 -0.001 0.000 0.249 215 D C 1.133 177.398 176.300 -0.058 0.000 1.070 215 D CA -0.428 53.530 54.000 -0.069 0.000 0.912 215 D CB 1.026 41.785 40.800 -0.068 0.000 1.193 215 D HN 0.359 nan 8.370 nan 0.000 0.427 216 E N 1.750 121.919 120.200 -0.052 0.000 2.160 216 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 216 E C 0.016 176.588 176.600 -0.047 0.000 0.991 216 E CA 0.846 57.219 56.400 -0.045 0.000 0.810 216 E CB 0.236 29.911 29.700 -0.041 0.000 0.742 216 E HN 0.378 nan 8.360 nan 0.000 0.466 217 Q N 1.117 120.885 119.800 -0.053 0.000 2.296 217 Q HA -0.001 4.339 4.340 -0.001 0.000 0.257 217 Q C 0.106 176.070 176.000 -0.061 0.000 0.942 217 Q CA 0.025 55.794 55.803 -0.056 0.000 0.939 217 Q CB 1.515 30.217 28.738 -0.060 0.000 1.198 217 Q HN 0.239 nan 8.270 nan 0.000 0.429 218 D N 0.946 121.306 120.400 -0.066 0.000 2.269 218 D HA -0.158 4.482 4.640 -0.001 0.000 0.208 218 D C 0.992 177.241 176.300 -0.085 0.000 0.963 218 D CA 1.238 55.192 54.000 -0.078 0.000 0.864 218 D CB 0.004 40.749 40.800 -0.092 0.000 0.936 218 D HN 0.475 nan 8.370 nan 0.000 0.505 219 S N -0.024 115.627 115.700 -0.081 0.000 2.442 219 S HA -0.098 4.371 4.470 -0.001 0.000 0.236 219 S C 2.063 176.628 174.600 -0.057 0.000 1.007 219 S CA 0.919 59.073 58.200 -0.077 0.000 0.965 219 S CB -0.519 62.639 63.200 -0.072 0.000 0.773 219 S HN 0.181 nan 8.310 nan 0.000 0.504 220 V N 1.635 121.516 119.914 -0.054 0.000 2.599 220 V HA 0.066 4.185 4.120 -0.001 0.000 0.245 220 V C 2.860 178.934 176.094 -0.034 0.000 1.046 220 V CA 1.110 63.386 62.300 -0.040 0.000 1.065 220 V CB -0.601 31.193 31.823 -0.048 0.000 0.703 220 V HN 0.409 nan 8.190 nan 0.000 0.464 221 R N 0.671 121.142 120.500 -0.048 0.000 2.070 221 R HA -0.162 4.178 4.340 -0.001 0.000 0.233 221 R C 2.299 178.587 176.300 -0.021 0.000 1.137 221 R CA 1.848 57.920 56.100 -0.046 0.000 0.945 221 R CB -0.772 29.494 30.300 -0.058 0.000 0.845 221 R HN 0.555 nan 8.270 nan 0.000 0.430 222 L N -0.374 120.829 121.223 -0.033 0.000 2.349 222 L HA -0.098 4.242 4.340 -0.001 0.000 0.220 222 L C 1.753 178.638 176.870 0.024 0.000 1.130 222 L CA 1.641 56.473 54.840 -0.013 0.000 0.791 222 L CB -0.692 41.334 42.059 -0.056 0.000 0.918 222 L HN 0.080 nan 8.230 nan 0.000 0.444 223 L N -0.147 121.090 121.223 0.024 0.000 2.341 223 L HA 0.130 4.470 4.340 -0.001 0.000 0.214 223 L C 2.661 179.588 176.870 0.095 0.000 1.115 223 L CA 0.676 55.548 54.840 0.053 0.000 0.820 223 L CB -0.570 41.515 42.059 0.043 0.000 0.944 223 L HN 0.429 nan 8.230 nan 0.000 0.452 224 A N -0.420 122.464 122.820 0.107 0.000 2.168 224 A HA -0.042 4.277 4.320 -0.001 0.000 0.215 224 A C 2.215 179.982 177.584 0.305 0.000 1.152 224 A CA 0.684 52.855 52.037 0.223 0.000 0.716 224 A CB -0.396 18.682 19.000 0.130 0.000 0.794 224 A HN 0.187 nan 8.150 nan 0.000 0.465 225 V N 0.111 120.133 119.914 0.178 0.000 2.307 225 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 225 V C 2.569 178.728 176.094 0.108 0.000 1.045 225 V CA 2.360 64.753 62.300 0.154 0.000 1.024 225 V CB -0.599 31.289 31.823 0.108 0.000 0.651 225 V HN 0.793 nan 8.190 nan 0.000 0.449 226 E N 1.061 121.316 120.200 0.092 0.000 2.110 226 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 226 E C 2.017 178.640 176.600 0.038 0.000 0.988 226 E CA 1.719 58.155 56.400 0.059 0.000 0.804 226 E CB -0.410 29.329 29.700 0.066 0.000 0.745 226 E HN 0.520 nan 8.360 nan 0.000 0.458 227 A N 0.008 122.875 122.820 0.078 0.000 1.968 227 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 227 A C 2.544 180.021 177.584 -0.178 0.000 1.169 227 A CA 1.158 53.212 52.037 0.028 0.000 0.638 227 A CB -1.174 17.930 19.000 0.174 0.000 0.812 227 A HN 0.554 nan 8.150 nan 0.000 0.446 228 C N -0.878 118.312 119.300 -0.183 0.000 2.425 228 C HA -0.057 4.402 4.460 -0.001 0.000 0.277 228 C C 2.675 177.511 174.990 -0.257 0.000 1.280 228 C CA 1.322 60.082 59.018 -0.430 0.000 1.744 228 C CB -1.349 26.331 27.740 -0.099 0.000 1.989 228 C HN 0.424 nan 8.230 nan 0.000 0.491 229 V N 1.553 121.390 119.914 -0.129 0.000 2.287 229 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 229 V C 2.133 178.157 176.094 -0.117 0.000 1.053 229 V CA 2.716 64.955 62.300 -0.102 0.000 1.027 229 V CB -1.023 30.767 31.823 -0.055 0.000 0.646 229 V HN 0.626 nan 8.190 nan 0.000 0.447 230 N N -0.019 118.613 118.700 -0.113 0.000 2.058 230 N HA -0.127 4.613 4.740 -0.001 0.000 0.191 230 N C 1.867 177.287 175.510 -0.150 0.000 1.037 230 N CA 1.570 54.556 53.050 -0.107 0.000 0.848 230 N CB -0.229 38.211 38.487 -0.079 0.000 1.021 230 N HN 0.393 nan 8.380 nan 0.000 0.422 231 I N 1.256 121.690 120.570 -0.227 0.000 2.208 231 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 231 I C 2.500 178.491 176.117 -0.210 0.000 1.097 231 I CA 0.821 61.968 61.300 -0.255 0.000 1.363 231 I CB -0.474 37.275 38.000 -0.418 0.000 1.051 231 I HN 0.173 nan 8.210 nan 0.000 0.413 232 A N 0.233 122.923 122.820 -0.218 0.000 1.978 232 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 232 A C 2.248 179.766 177.584 -0.111 0.000 1.170 232 A CA 1.655 53.600 52.037 -0.153 0.000 0.636 232 A CB -0.536 18.379 19.000 -0.142 0.000 0.810 232 A HN 0.501 nan 8.150 nan 0.000 0.448 233 Q N -0.541 119.196 119.800 -0.105 0.000 2.083 233 Q HA 0.026 4.365 4.340 -0.001 0.000 0.198 233 Q C 1.955 177.910 176.000 -0.076 0.000 0.969 233 Q CA 1.207 56.962 55.803 -0.080 0.000 0.838 233 Q CB -0.279 28.417 28.738 -0.070 0.000 0.900 233 Q HN 0.671 nan 8.270 nan 0.000 0.436 234 L N 0.557 121.728 121.223 -0.088 0.000 2.265 234 L HA -0.094 4.246 4.340 -0.001 0.000 0.215 234 L C 0.576 177.403 176.870 -0.073 0.000 1.117 234 L CA 0.435 55.226 54.840 -0.081 0.000 0.782 234 L CB -0.255 41.745 42.059 -0.099 0.000 0.914 234 L HN 0.152 nan 8.230 nan 0.000 0.441 235 L N 0.630 121.808 121.223 -0.076 0.000 2.325 235 L HA 0.346 4.686 4.340 -0.001 0.000 0.279 235 L C -1.966 174.874 176.870 -0.050 0.000 1.054 235 L CA -2.121 52.682 54.840 -0.062 0.000 0.804 235 L CB 0.649 42.669 42.059 -0.065 0.000 1.200 235 L HN -0.194 nan 8.230 nan 0.000 0.436 236 P HA -0.055 nan 4.420 nan 0.000 0.268 236 P C 0.101 177.382 177.300 -0.032 0.000 1.205 236 P CA -0.220 62.861 63.100 -0.033 0.000 0.771 236 P CB 0.949 32.633 31.700 -0.027 0.000 0.858 237 Q N 2.528 122.310 119.800 -0.030 0.000 2.118 237 Q HA -0.249 4.090 4.340 -0.001 0.000 0.211 237 Q C 1.350 177.337 176.000 -0.022 0.000 0.998 237 Q CA 2.478 58.264 55.803 -0.028 0.000 0.872 237 Q CB -0.213 28.509 28.738 -0.027 0.000 0.925 237 Q HN 0.531 nan 8.270 nan 0.000 0.414 238 E N 0.300 120.489 120.200 -0.018 0.000 2.268 238 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 238 E C 1.401 177.994 176.600 -0.011 0.000 0.995 238 E CA 1.243 57.635 56.400 -0.013 0.000 0.836 238 E CB -0.147 29.547 29.700 -0.011 0.000 0.763 238 E HN 0.358 nan 8.360 nan 0.000 0.491 239 D N 0.160 120.551 120.400 -0.015 0.000 2.323 239 D HA 0.012 4.652 4.640 -0.001 0.000 0.209 239 D C 1.741 178.035 176.300 -0.011 0.000 0.973 239 D CA 0.290 54.283 54.000 -0.013 0.000 0.874 239 D CB 0.008 40.797 40.800 -0.018 0.000 0.930 239 D HN 0.181 nan 8.370 nan 0.000 0.521 240 L N 0.635 121.847 121.223 -0.017 0.000 1.990 240 L HA -0.224 4.116 4.340 -0.001 0.000 0.213 240 L C 2.431 179.301 176.870 0.000 0.000 1.072 240 L CA 1.295 56.126 54.840 -0.016 0.000 0.755 240 L CB -0.392 41.652 42.059 -0.025 0.000 0.889 240 L HN -0.011 nan 8.230 nan 0.000 0.432 241 E N 0.270 120.471 120.200 0.002 0.000 2.118 241 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 241 E C 1.953 178.563 176.600 0.017 0.000 0.992 241 E CA 1.690 58.096 56.400 0.011 0.000 0.804 241 E CB -0.039 29.666 29.700 0.009 0.000 0.741 241 E HN 0.426 nan 8.360 nan 0.000 0.458 242 A N -0.356 122.473 122.820 0.014 0.000 1.903 242 A HA 0.075 4.395 4.320 -0.001 0.000 0.213 242 A C 2.107 179.708 177.584 0.028 0.000 1.185 242 A CA 0.947 52.995 52.037 0.018 0.000 0.628 242 A CB -0.245 18.762 19.000 0.012 0.000 0.830 242 A HN 0.285 nan 8.150 nan 0.000 0.446 243 L N -1.232 120.008 121.223 0.028 0.000 2.529 243 L HA 0.122 4.461 4.340 -0.001 0.000 0.223 243 L C 1.514 178.432 176.870 0.079 0.000 1.113 243 L CA 0.153 55.020 54.840 0.045 0.000 0.861 243 L CB 0.389 42.464 42.059 0.027 0.000 1.012 243 L HN 0.221 nan 8.230 nan 0.000 0.461 244 V N -2.049 117.905 119.914 0.066 0.000 3.177 244 V HA 0.009 4.129 4.120 -0.001 0.000 0.219 244 V C 2.033 178.192 176.094 0.108 0.000 1.344 244 V CA 0.097 62.459 62.300 0.102 0.000 1.324 244 V CB 0.354 32.181 31.823 0.006 0.000 1.165 244 V HN 0.070 nan 8.190 nan 0.000 0.510 245 M N 0.547 120.181 119.600 0.057 0.000 2.108 245 M HA -0.151 4.329 4.480 -0.001 0.000 0.257 245 M C -0.201 176.137 176.300 0.063 0.000 1.071 245 M CA 2.246 57.577 55.300 0.052 0.000 1.093 245 M CB -2.599 30.019 32.600 0.031 0.000 1.345 245 M HN 0.249 nan 8.290 nan 0.000 0.403 246 P HA -0.097 nan 4.420 nan 0.000 0.215 246 P C 1.571 178.904 177.300 0.056 0.000 1.157 246 P CA 1.585 64.715 63.100 0.049 0.000 0.868 246 P CB -0.294 31.429 31.700 0.039 0.000 0.788 247 T N -0.004 114.598 114.554 0.078 0.000 2.746 247 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 247 T C 1.666 176.426 174.700 0.100 0.000 1.039 247 T CA 1.136 63.279 62.100 0.071 0.000 1.142 247 T CB -0.920 68.022 68.868 0.123 0.000 0.866 247 T HN 0.011 nan 8.240 nan 0.000 0.444 248 L N 1.026 122.334 121.223 0.141 0.000 2.109 248 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 248 L C 2.389 179.315 176.870 0.094 0.000 1.086 248 L CA 1.585 56.501 54.840 0.127 0.000 0.760 248 L CB -0.500 41.618 42.059 0.100 0.000 0.910 248 L HN 0.018 nan 8.230 nan 0.000 0.437 249 R N -0.970 119.577 120.500 0.078 0.000 2.115 249 R HA -0.173 4.167 4.340 -0.001 0.000 0.230 249 R C 2.248 178.587 176.300 0.065 0.000 1.111 249 R CA 1.257 57.401 56.100 0.074 0.000 0.976 249 R CB -0.202 30.135 30.300 0.062 0.000 0.870 249 R HN 0.416 nan 8.270 nan 0.000 0.445 250 Q N 0.666 120.498 119.800 0.052 0.000 2.079 250 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 250 Q C 1.872 177.896 176.000 0.040 0.000 0.974 250 Q CA 1.996 57.821 55.803 0.036 0.000 0.840 250 Q CB -0.276 28.471 28.738 0.016 0.000 0.898 250 Q HN 0.292 nan 8.270 nan 0.000 0.430 251 A N 0.386 123.237 122.820 0.050 0.000 1.908 251 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 251 A C 2.224 179.852 177.584 0.073 0.000 1.181 251 A CA 1.991 54.062 52.037 0.056 0.000 0.627 251 A CB -1.150 17.897 19.000 0.079 0.000 0.818 251 A HN 0.514 nan 8.150 nan 0.000 0.445 252 A N -1.295 121.581 122.820 0.092 0.000 2.168 252 A HA 0.001 4.321 4.320 -0.001 0.000 0.215 252 A C 1.753 179.382 177.584 0.076 0.000 1.152 252 A CA 1.464 53.563 52.037 0.103 0.000 0.716 252 A CB -0.281 18.802 19.000 0.139 0.000 0.794 252 A HN 0.634 nan 8.150 nan 0.000 0.465 253 E N -0.409 119.828 120.200 0.062 0.000 2.473 253 E HA 0.013 4.363 4.350 -0.001 0.000 0.204 253 E C -0.190 176.437 176.600 0.045 0.000 0.994 253 E CA -0.427 56.003 56.400 0.049 0.000 0.945 253 E CB 0.198 29.922 29.700 0.041 0.000 0.990 253 E HN 0.557 nan 8.360 nan 0.000 0.493 254 D N 1.240 121.666 120.400 0.042 0.000 2.667 254 D HA -0.136 4.503 4.640 -0.001 0.000 0.226 254 D C 1.008 177.332 176.300 0.040 0.000 1.137 254 D CA 0.458 54.476 54.000 0.030 0.000 0.855 254 D CB 0.865 41.676 40.800 0.019 0.000 1.194 254 D HN -0.074 nan 8.370 nan 0.000 0.492 255 K N 1.229 121.646 120.400 0.028 0.000 2.103 255 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 255 K C 0.859 177.495 176.600 0.061 0.000 1.048 255 K CA 0.445 56.755 56.287 0.040 0.000 0.930 255 K CB -0.475 32.039 32.500 0.023 0.000 0.716 255 K HN 0.267 nan 8.250 nan 0.000 0.444 256 S N 2.018 117.732 115.700 0.024 0.000 2.448 256 S HA 0.053 4.523 4.470 -0.001 0.000 0.279 256 S C 1.321 175.911 174.600 -0.016 0.000 1.195 256 S CA -0.781 57.409 58.200 -0.016 0.000 1.051 256 S CB 0.078 63.214 63.200 -0.107 0.000 0.948 256 S HN 0.390 nan 8.310 nan 0.000 0.493 257 W N 6.580 127.894 121.300 0.022 0.000 2.387 257 W HA -0.149 4.510 4.660 -0.001 0.000 0.272 257 W C 1.031 177.595 176.519 0.076 0.000 1.224 257 W CA 0.397 57.769 57.345 0.044 0.000 1.210 257 W CB -0.710 28.767 29.460 0.029 0.000 1.125 257 W HN 0.696 nan 8.180 nan 0.000 0.572 258 R N 0.933 120.819 120.500 -1.024 0.000 2.096 258 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 258 R C 2.405 178.527 176.300 -0.298 0.000 1.127 258 R CA 1.960 57.482 56.100 -0.963 0.000 0.968 258 R CB -0.685 29.098 30.300 -0.861 0.000 0.861 258 R HN 0.094 nan 8.270 nan 0.000 0.440 259 V N 0.952 120.760 119.914 -0.176 0.000 2.548 259 V HA -0.175 3.944 4.120 -0.001 0.000 0.249 259 V C 2.217 178.336 176.094 0.042 0.000 1.055 259 V CA 1.567 63.842 62.300 -0.042 0.000 1.065 259 V CB -0.445 31.359 31.823 -0.032 0.000 0.681 259 V HN 0.283 nan 8.190 nan 0.000 0.462 260 R N -1.026 119.521 120.500 0.077 0.000 2.075 260 R HA -0.155 4.184 4.340 -0.001 0.000 0.232 260 R C 2.329 178.728 176.300 0.166 0.000 1.126 260 R CA 1.731 57.908 56.100 0.129 0.000 0.963 260 R CB -0.579 29.815 30.300 0.158 0.000 0.858 260 R HN 0.571 nan 8.270 nan 0.000 0.435 261 Y N 1.340 121.689 120.300 0.081 0.000 2.151 261 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 261 Y C 2.267 178.212 175.900 0.075 0.000 1.166 261 Y CA 1.609 59.777 58.100 0.113 0.000 1.163 261 Y CB -0.030 38.492 38.460 0.102 0.000 0.974 261 Y HN -0.080 nan 8.280 nan 0.000 0.511 262 M N -1.106 118.596 119.600 0.170 0.000 2.296 262 M HA -0.158 4.321 4.480 -0.001 0.000 0.265 262 M C 2.117 178.462 176.300 0.075 0.000 1.064 262 M CA 0.907 56.267 55.300 0.100 0.000 1.109 262 M CB -1.204 31.456 32.600 0.099 0.000 1.396 262 M HN 0.226 nan 8.290 nan 0.000 0.430 263 V N 0.130 120.106 119.914 0.103 0.000 2.323 263 V HA -0.173 3.947 4.120 -0.001 0.000 0.244 263 V C 2.586 178.819 176.094 0.231 0.000 1.041 263 V CA 1.700 64.102 62.300 0.170 0.000 1.025 263 V CB -1.124 30.812 31.823 0.188 0.000 0.656 263 V HN 0.465 nan 8.190 nan 0.000 0.451 264 A N -0.210 122.660 122.820 0.084 0.000 1.972 264 A HA -0.282 4.038 4.320 -0.001 0.000 0.219 264 A C 1.981 179.571 177.584 0.009 0.000 1.169 264 A CA 2.133 54.167 52.037 -0.005 0.000 0.635 264 A CB -0.619 18.295 19.000 -0.142 0.000 0.810 264 A HN 0.616 nan 8.150 nan 0.000 0.446 265 D N -0.409 119.934 120.400 -0.096 0.000 2.097 265 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 265 D C 1.255 177.583 176.300 0.046 0.000 0.984 265 D CA 1.064 55.011 54.000 -0.089 0.000 0.826 265 D CB 0.063 40.767 40.800 -0.160 0.000 0.973 265 D HN 0.148 nan 8.370 nan 0.000 0.460 266 K N -0.018 120.430 120.400 0.080 0.000 2.500 266 K HA 0.038 4.358 4.320 -0.001 0.000 0.206 266 K C 0.882 177.541 176.600 0.098 0.000 1.034 266 K CA -0.286 56.048 56.287 0.078 0.000 1.179 266 K CB -0.301 32.231 32.500 0.054 0.000 0.884 266 K HN 0.226 nan 8.250 nan 0.000 0.493 267 F N 2.589 122.528 119.950 -0.019 0.000 2.069 267 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 267 F C 2.379 178.159 175.800 -0.033 0.000 1.113 267 F CA 2.247 60.218 58.000 -0.048 0.000 1.214 267 F CB -0.566 38.376 39.000 -0.097 0.000 0.978 267 F HN 0.177 nan 8.300 nan 0.000 0.474 268 T N -2.191 112.436 114.554 0.121 0.000 2.759 268 T HA -0.226 4.124 4.350 -0.001 0.000 0.269 268 T C 1.674 176.373 174.700 -0.002 0.000 1.042 268 T CA 1.688 63.832 62.100 0.073 0.000 1.140 268 T CB -0.582 68.334 68.868 0.080 0.000 0.864 268 T HN 0.231 nan 8.240 nan 0.000 0.455 269 E N 1.094 121.288 120.200 -0.010 0.000 2.150 269 E HA 0.118 4.468 4.350 -0.001 0.000 0.193 269 E C 2.098 178.655 176.600 -0.072 0.000 0.985 269 E CA 0.571 56.953 56.400 -0.030 0.000 0.814 269 E CB -0.442 29.251 29.700 -0.012 0.000 0.752 269 E HN 0.478 nan 8.360 nan 0.000 0.466 270 L N 0.351 121.500 121.223 -0.124 0.000 2.072 270 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 270 L C 2.626 179.389 176.870 -0.179 0.000 1.079 270 L CA 1.108 55.843 54.840 -0.176 0.000 0.752 270 L CB -0.361 41.530 42.059 -0.280 0.000 0.906 270 L HN 0.169 nan 8.230 nan 0.000 0.436 271 Q N 0.345 120.027 119.800 -0.197 0.000 2.062 271 Q HA -0.279 4.060 4.340 -0.001 0.000 0.209 271 Q C 2.258 178.211 176.000 -0.079 0.000 0.996 271 Q CA 1.961 57.699 55.803 -0.108 0.000 0.859 271 Q CB 0.048 28.785 28.738 -0.001 0.000 0.920 271 Q HN 0.446 nan 8.270 nan 0.000 0.415 272 K N -0.517 119.842 120.400 -0.067 0.000 2.025 272 K HA -0.084 4.236 4.320 -0.001 0.000 0.207 272 K C 2.031 178.593 176.600 -0.063 0.000 1.049 272 K CA 1.031 57.283 56.287 -0.059 0.000 0.933 272 K CB -0.175 32.297 32.500 -0.046 0.000 0.714 272 K HN 0.164 nan 8.250 nan 0.000 0.438 273 A N 0.969 123.746 122.820 -0.071 0.000 2.019 273 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 273 A C 2.220 179.758 177.584 -0.076 0.000 1.164 273 A CA 1.239 53.232 52.037 -0.074 0.000 0.644 273 A CB -0.288 18.662 19.000 -0.083 0.000 0.805 273 A HN 0.121 nan 8.150 nan 0.000 0.449 274 V N -1.610 118.256 119.914 -0.080 0.000 2.949 274 V HA 0.409 4.529 4.120 -0.001 0.000 0.245 274 V C 1.118 177.178 176.094 -0.057 0.000 1.086 274 V CA 1.374 63.631 62.300 -0.072 0.000 1.097 274 V CB -0.236 31.538 31.823 -0.082 0.000 0.762 274 V HN 1.251 nan 8.190 nan 0.000 0.470 275 G N 0.251 109.016 108.800 -0.058 0.000 2.697 275 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.686 275 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.686 275 G C -1.688 173.182 174.900 -0.050 0.000 1.179 275 G CA -0.195 44.874 45.100 -0.051 0.000 0.765 275 G HN 0.113 nan 8.290 nan 0.000 0.649 276 P HA -0.174 nan 4.420 nan 0.000 0.215 276 P C 1.385 178.659 177.300 -0.043 0.000 1.157 276 P CA 2.032 65.096 63.100 -0.060 0.000 0.874 276 P CB 0.124 31.786 31.700 -0.063 0.000 0.790 277 E N -0.174 120.006 120.200 -0.032 0.000 2.038 277 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 277 E C 2.282 178.877 176.600 -0.009 0.000 1.000 277 E CA 1.137 57.525 56.400 -0.020 0.000 0.803 277 E CB -0.567 29.122 29.700 -0.017 0.000 0.750 277 E HN 0.263 nan 8.360 nan 0.000 0.448 278 I N 0.955 121.519 120.570 -0.011 0.000 2.493 278 I HA -0.215 3.955 4.170 -0.001 0.000 0.254 278 I C 2.259 178.384 176.117 0.013 0.000 1.160 278 I CA 0.888 62.187 61.300 -0.001 0.000 1.445 278 I CB -0.292 37.700 38.000 -0.013 0.000 1.086 278 I HN 0.133 nan 8.210 nan 0.000 0.433 279 T N 0.436 114.993 114.554 0.005 0.000 2.777 279 T HA -0.217 4.133 4.350 -0.001 0.000 0.266 279 T C 1.963 176.712 174.700 0.082 0.000 1.040 279 T CA 1.344 63.470 62.100 0.043 0.000 1.141 279 T CB -0.118 68.748 68.868 -0.005 0.000 0.868 279 T HN 0.315 nan 8.240 nan 0.000 0.444 280 K N 0.220 120.638 120.400 0.030 0.000 2.103 280 K HA -0.081 4.238 4.320 -0.001 0.000 0.204 280 K C 2.288 178.925 176.600 0.061 0.000 1.052 280 K CA 1.240 57.549 56.287 0.038 0.000 0.945 280 K CB -0.109 32.393 32.500 0.002 0.000 0.722 280 K HN 0.201 nan 8.250 nan 0.000 0.443 281 T N 1.264 115.846 114.554 0.048 0.000 2.643 281 T HA -0.084 4.266 4.350 -0.001 0.000 0.256 281 T C 1.201 175.942 174.700 0.069 0.000 1.061 281 T CA 1.520 63.649 62.100 0.049 0.000 1.163 281 T CB -0.195 68.692 68.868 0.031 0.000 0.865 281 T HN 0.296 nan 8.240 nan 0.000 0.407 282 D N 0.856 121.297 120.400 0.069 0.000 2.201 282 D HA 0.127 4.767 4.640 -0.001 0.000 0.209 282 D C 2.272 178.650 176.300 0.129 0.000 0.961 282 D CA 0.536 54.585 54.000 0.082 0.000 0.861 282 D CB -0.175 40.659 40.800 0.056 0.000 0.997 282 D HN 0.262 nan 8.370 nan 0.000 0.486 283 L N 0.942 122.250 121.223 0.142 0.000 2.156 283 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 283 L C 2.540 179.657 176.870 0.411 0.000 1.095 283 L CA 0.429 55.408 54.840 0.233 0.000 0.770 283 L CB -0.294 41.813 42.059 0.081 0.000 0.914 283 L HN -0.098 nan 8.230 nan 0.000 0.439 284 V N 0.491 120.632 119.914 0.378 0.000 2.407 284 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 284 V C -0.187 176.088 176.094 0.301 0.000 1.055 284 V CA 1.941 64.492 62.300 0.419 0.000 1.049 284 V CB -1.331 30.675 31.823 0.306 0.000 0.662 284 V HN 0.337 nan 8.190 nan 0.000 0.455 285 P HA -0.057 nan 4.420 nan 0.000 0.216 285 P C 1.737 179.119 177.300 0.135 0.000 1.153 285 P CA 1.718 64.904 63.100 0.143 0.000 0.844 285 P CB -0.127 31.639 31.700 0.110 0.000 0.787 286 A N -0.761 122.174 122.820 0.193 0.000 1.883 286 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 286 A C 2.125 179.765 177.584 0.092 0.000 1.186 286 A CA 1.544 53.694 52.037 0.190 0.000 0.624 286 A CB -1.923 17.274 19.000 0.329 0.000 0.822 286 A HN 0.096 nan 8.150 nan 0.000 0.444 287 F N 0.892 120.784 119.950 -0.097 0.000 2.126 287 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 287 F C 2.578 178.213 175.800 -0.274 0.000 1.096 287 F CA 2.194 59.889 58.000 -0.509 0.000 1.255 287 F CB -0.512 38.118 39.000 -0.616 0.000 0.997 287 F HN 0.370 nan 8.300 nan 0.000 0.479 288 Q N -0.418 119.336 119.800 -0.076 0.000 2.124 288 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 288 Q C 1.938 177.847 176.000 -0.151 0.000 0.977 288 Q CA 1.414 57.144 55.803 -0.122 0.000 0.850 288 Q CB -0.354 28.385 28.738 0.002 0.000 0.901 288 Q HN 0.415 nan 8.270 nan 0.000 0.429 289 N N 0.792 119.433 118.700 -0.097 0.000 2.142 289 N HA -0.098 4.641 4.740 -0.001 0.000 0.186 289 N C 1.856 177.288 175.510 -0.130 0.000 1.023 289 N CA 0.980 53.984 53.050 -0.077 0.000 0.852 289 N CB -0.208 38.266 38.487 -0.022 0.000 0.998 289 N HN 0.221 nan 8.380 nan 0.000 0.424 290 L N 0.424 121.523 121.223 -0.207 0.000 2.131 290 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 290 L C 2.199 178.889 176.870 -0.301 0.000 1.092 290 L CA 0.842 55.535 54.840 -0.245 0.000 0.759 290 L CB -0.299 41.554 42.059 -0.343 0.000 0.903 290 L HN 0.147 nan 8.230 nan 0.000 0.435 291 M N -0.751 118.595 119.600 -0.423 0.000 2.557 291 M HA -0.122 4.358 4.480 -0.001 0.000 0.259 291 M C 1.252 177.431 176.300 -0.203 0.000 1.086 291 M CA 1.386 56.463 55.300 -0.371 0.000 1.096 291 M CB 0.067 32.395 32.600 -0.453 0.000 1.424 291 M HN 0.122 nan 8.290 nan 0.000 0.488 292 K N -0.667 119.640 120.400 -0.156 0.000 2.387 292 K HA 0.105 4.424 4.320 -0.001 0.000 0.203 292 K C -0.006 176.554 176.600 -0.066 0.000 1.030 292 K CA -0.220 56.010 56.287 -0.094 0.000 1.099 292 K CB 0.463 32.919 32.500 -0.073 0.000 0.863 292 K HN 0.152 nan 8.250 nan 0.000 0.529 293 D N 1.065 121.425 120.400 -0.067 0.000 2.478 293 D HA -0.105 4.534 4.640 -0.001 0.000 0.234 293 D C 1.399 177.683 176.300 -0.027 0.000 1.154 293 D CA 0.110 54.093 54.000 -0.029 0.000 0.874 293 D CB 1.015 41.813 40.800 -0.005 0.000 1.198 293 D HN 0.287 nan 8.370 nan 0.000 0.455 294 C N 2.500 121.790 119.300 -0.017 0.000 2.446 294 C HA 0.032 4.492 4.460 -0.001 0.000 0.277 294 C C 0.751 175.705 174.990 -0.060 0.000 1.275 294 C CA -0.226 58.772 59.018 -0.033 0.000 1.727 294 C CB -0.559 27.165 27.740 -0.026 0.000 2.010 294 C HN 0.488 nan 8.230 nan 0.000 0.486 295 E N 1.523 121.682 120.200 -0.070 0.000 2.290 295 E HA 0.378 4.728 4.350 -0.001 0.000 0.277 295 E C 1.042 177.583 176.600 -0.098 0.000 1.035 295 E CA 0.567 56.870 56.400 -0.162 0.000 0.873 295 E CB 0.972 30.504 29.700 -0.281 0.000 1.029 295 E HN 0.564 nan 8.360 nan 0.000 0.419 296 A N 3.717 126.474 122.820 -0.104 0.000 2.125 296 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 296 A C 1.759 179.412 177.584 0.115 0.000 1.156 296 A CA 1.106 53.143 52.037 -0.000 0.000 0.671 296 A CB -0.123 18.885 19.000 0.014 0.000 0.794 296 A HN 0.435 nan 8.150 nan 0.000 0.459 297 E N -0.326 119.896 120.200 0.035 0.000 2.051 297 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 297 E C 2.041 178.887 176.600 0.409 0.000 0.991 297 E CA 1.353 57.911 56.400 0.262 0.000 0.799 297 E CB -0.449 29.296 29.700 0.074 0.000 0.748 297 E HN 0.332 nan 8.360 nan 0.000 0.449 298 V N 0.963 121.078 119.914 0.336 0.000 2.295 298 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 298 V C 2.201 178.328 176.094 0.054 0.000 1.049 298 V CA 1.926 64.380 62.300 0.258 0.000 1.024 298 V CB -0.468 31.493 31.823 0.230 0.000 0.648 298 V HN 0.209 nan 8.190 nan 0.000 0.447 299 R N 0.281 120.788 120.500 0.012 0.000 2.091 299 R HA -0.169 4.171 4.340 -0.001 0.000 0.238 299 R C 2.454 178.706 176.300 -0.080 0.000 1.136 299 R CA 1.602 57.660 56.100 -0.071 0.000 0.959 299 R CB -0.688 29.576 30.300 -0.059 0.000 0.856 299 R HN 0.547 nan 8.270 nan 0.000 0.437 300 A N 1.370 124.168 122.820 -0.037 0.000 1.902 300 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 300 A C 2.423 179.966 177.584 -0.069 0.000 1.181 300 A CA 1.647 53.617 52.037 -0.112 0.000 0.623 300 A CB -0.638 18.176 19.000 -0.310 0.000 0.818 300 A HN 0.399 nan 8.150 nan 0.000 0.443 301 A N -0.049 122.752 122.820 -0.030 0.000 1.883 301 A HA 0.101 4.421 4.320 -0.001 0.000 0.217 301 A C 2.530 180.086 177.584 -0.046 0.000 1.186 301 A CA 2.380 54.362 52.037 -0.093 0.000 0.624 301 A CB -1.119 17.682 19.000 -0.332 0.000 0.822 301 A HN 1.063 nan 8.150 nan 0.000 0.444 302 A N -0.277 122.471 122.820 -0.120 0.000 1.845 302 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 302 A C 2.425 179.952 177.584 -0.095 0.000 1.195 302 A CA 2.232 54.144 52.037 -0.209 0.000 0.616 302 A CB -1.176 17.526 19.000 -0.497 0.000 0.832 302 A HN 0.541 nan 8.150 nan 0.000 0.443 303 S N -0.707 114.925 115.700 -0.112 0.000 2.392 303 S HA -0.287 4.182 4.470 -0.001 0.000 0.232 303 S C 1.871 176.523 174.600 0.087 0.000 1.041 303 S CA 1.895 60.080 58.200 -0.025 0.000 1.026 303 S CB -0.648 62.531 63.200 -0.036 0.000 0.845 303 S HN 0.791 nan 8.310 nan 0.000 0.465 304 H N 1.706 120.770 119.070 -0.010 0.000 2.421 304 H HA 0.052 4.608 4.556 -0.001 0.000 0.298 304 H C 1.668 177.036 175.328 0.067 0.000 1.087 304 H CA 1.322 57.379 56.048 0.014 0.000 1.330 304 H CB 0.051 29.806 29.762 -0.012 0.000 1.388 304 H HN 0.083 nan 8.280 nan 0.000 0.526 305 K N -0.060 120.395 120.400 0.091 0.000 2.459 305 K HA 0.027 4.346 4.320 -0.001 0.000 0.193 305 K C 2.143 178.836 176.600 0.155 0.000 1.030 305 K CA 0.305 56.647 56.287 0.091 0.000 1.026 305 K CB -0.216 32.384 32.500 0.166 0.000 0.809 305 K HN 0.189 nan 8.250 nan 0.000 0.504 306 V N 2.337 122.406 119.914 0.258 0.000 2.233 306 V HA -0.322 3.798 4.120 -0.001 0.000 0.252 306 V C 2.685 178.870 176.094 0.152 0.000 1.063 306 V CA 2.009 64.484 62.300 0.291 0.000 1.032 306 V CB -0.265 31.696 31.823 0.230 0.000 0.645 306 V HN 0.358 nan 8.190 nan 0.000 0.446 307 K N -0.475 119.963 120.400 0.064 0.000 2.026 307 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 307 K C 2.129 178.735 176.600 0.011 0.000 1.048 307 K CA 2.038 58.338 56.287 0.023 0.000 0.929 307 K CB -0.307 32.186 32.500 -0.012 0.000 0.713 307 K HN 0.592 nan 8.250 nan 0.000 0.439 308 E N -0.527 119.678 120.200 0.008 0.000 2.077 308 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 308 E C 1.946 178.572 176.600 0.042 0.000 0.989 308 E CA 1.051 57.457 56.400 0.010 0.000 0.800 308 E CB -0.190 29.516 29.700 0.010 0.000 0.746 308 E HN 0.230 nan 8.360 nan 0.000 0.452 309 F N 1.162 121.034 119.950 -0.129 0.000 2.051 309 F HA -0.240 4.286 4.527 -0.000 0.000 0.296 309 F C 2.359 178.073 175.800 -0.145 0.000 1.122 309 F CA 1.236 59.118 58.000 -0.195 0.000 1.201 309 F CB -0.704 38.018 39.000 -0.463 0.000 0.978 309 F HN 0.049 nan 8.300 nan 0.000 0.472 310 C N 0.331 119.533 119.300 -0.164 0.000 2.411 310 C HA -0.186 4.274 4.460 -0.001 0.000 0.279 310 C C 2.705 177.573 174.990 -0.203 0.000 1.288 310 C CA 1.197 60.078 59.018 -0.228 0.000 1.764 310 C CB -1.414 26.289 27.740 -0.061 0.000 1.974 310 C HN 0.555 nan 8.230 nan 0.000 0.498 311 E N 0.914 121.032 120.200 -0.137 0.000 2.110 311 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 311 E C 1.214 177.732 176.600 -0.137 0.000 0.988 311 E CA 1.046 57.382 56.400 -0.107 0.000 0.804 311 E CB -0.055 29.604 29.700 -0.068 0.000 0.745 311 E HN 0.634 nan 8.360 nan 0.000 0.458 312 N N -0.296 118.292 118.700 -0.187 0.000 2.336 312 N HA 0.099 4.839 4.740 -0.001 0.000 0.189 312 N C -0.369 174.989 175.510 -0.253 0.000 1.113 312 N CA 0.101 53.039 53.050 -0.187 0.000 0.858 312 N CB 0.280 38.677 38.487 -0.149 0.000 0.970 312 N HN 0.038 nan 8.380 nan 0.000 0.471 313 L N 1.033 122.059 121.223 -0.328 0.000 2.439 313 L HA 0.128 4.467 4.340 -0.001 0.000 0.269 313 L C 0.591 177.352 176.870 -0.181 0.000 1.179 313 L CA -0.574 54.080 54.840 -0.310 0.000 0.828 313 L CB 0.396 42.252 42.059 -0.339 0.000 1.106 313 L HN 0.144 nan 8.230 nan 0.000 0.467 314 S N 1.774 117.389 115.700 -0.142 0.000 2.673 314 S HA -0.010 4.460 4.470 -0.001 0.000 0.308 314 S C 1.304 175.853 174.600 -0.085 0.000 1.246 314 S CA -0.201 57.941 58.200 -0.097 0.000 1.077 314 S CB 0.979 64.134 63.200 -0.076 0.000 0.814 314 S HN 0.767 nan 8.310 nan 0.000 0.503 315 A N 3.650 126.426 122.820 -0.073 0.000 1.985 315 A HA -0.308 4.011 4.320 -0.001 0.000 0.223 315 A C 1.820 179.372 177.584 -0.053 0.000 1.189 315 A CA 2.394 54.394 52.037 -0.062 0.000 0.658 315 A CB -1.383 17.587 19.000 -0.050 0.000 0.820 315 A HN 1.064 nan 8.150 nan 0.000 0.464 316 D N -0.739 119.632 120.400 -0.048 0.000 2.117 316 D HA -0.157 4.482 4.640 -0.001 0.000 0.198 316 D C 1.796 178.071 176.300 -0.040 0.000 0.982 316 D CA 1.521 55.498 54.000 -0.039 0.000 0.828 316 D CB -0.971 39.808 40.800 -0.034 0.000 0.967 316 D HN 0.663 nan 8.370 nan 0.000 0.464 317 C N -0.842 118.429 119.300 -0.048 0.000 2.799 317 C HA 0.413 4.873 4.460 -0.001 0.000 0.267 317 C C 2.285 177.241 174.990 -0.057 0.000 1.257 317 C CA -0.637 58.354 59.018 -0.045 0.000 1.702 317 C CB -1.150 26.564 27.740 -0.042 0.000 1.934 317 C HN 0.240 nan 8.230 nan 0.000 0.594 318 R N 1.937 122.393 120.500 -0.073 0.000 2.410 318 R HA -0.302 4.038 4.340 -0.001 0.000 0.207 318 R C 2.225 178.484 176.300 -0.069 0.000 1.020 318 R CA 2.627 58.674 56.100 -0.089 0.000 0.796 318 R CB -1.001 29.245 30.300 -0.089 0.000 0.771 318 R HN 0.676 nan 8.270 nan 0.000 0.435 319 E N -0.345 119.821 120.200 -0.056 0.000 2.279 319 E HA -0.325 4.025 4.350 -0.001 0.000 0.205 319 E C 1.622 178.196 176.600 -0.044 0.000 1.028 319 E CA 2.044 58.415 56.400 -0.047 0.000 0.830 319 E CB -0.202 29.475 29.700 -0.038 0.000 0.736 319 E HN 0.457 nan 8.360 nan 0.000 0.478 320 N N -0.442 118.235 118.700 -0.038 0.000 2.173 320 N HA -0.147 4.593 4.740 -0.001 0.000 0.184 320 N C 1.968 177.465 175.510 -0.022 0.000 1.025 320 N CA 1.889 54.922 53.050 -0.030 0.000 0.852 320 N CB -0.071 38.403 38.487 -0.023 0.000 0.998 320 N HN 0.166 nan 8.380 nan 0.000 0.427 321 V N -0.579 119.323 119.914 -0.020 0.000 2.490 321 V HA -0.106 4.014 4.120 -0.001 0.000 0.250 321 V C 2.022 178.125 176.094 0.015 0.000 1.061 321 V CA 1.396 63.699 62.300 0.004 0.000 1.064 321 V CB -0.738 31.085 31.823 0.001 0.000 0.670 321 V HN 0.309 nan 8.190 nan 0.000 0.461 322 I N -0.287 120.277 120.570 -0.010 0.000 2.113 322 I HA -0.179 3.991 4.170 -0.001 0.000 0.238 322 I C 2.810 178.916 176.117 -0.017 0.000 1.070 322 I CA 2.130 63.429 61.300 -0.002 0.000 1.332 322 I CB -0.372 37.613 38.000 -0.026 0.000 1.044 322 I HN 0.285 nan 8.210 nan 0.000 0.402 323 M N -0.579 118.988 119.600 -0.056 0.000 2.460 323 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 323 M C 2.271 178.532 176.300 -0.065 0.000 1.071 323 M CA 1.277 56.515 55.300 -0.104 0.000 1.096 323 M CB -1.243 31.269 32.600 -0.148 0.000 1.408 323 M HN 0.181 nan 8.290 nan 0.000 0.463 324 S N -1.051 114.634 115.700 -0.026 0.000 2.527 324 S HA 0.060 4.530 4.470 -0.001 0.000 0.227 324 S C 1.763 176.375 174.600 0.019 0.000 1.059 324 S CA 0.224 58.420 58.200 -0.006 0.000 0.919 324 S CB 0.436 63.635 63.200 -0.002 0.000 0.805 324 S HN 0.371 nan 8.310 nan 0.000 0.500 325 Q N 0.430 120.254 119.800 0.040 0.000 2.499 325 Q HA 0.272 4.611 4.340 -0.001 0.000 0.213 325 Q C 1.992 178.049 176.000 0.096 0.000 0.929 325 Q CA 0.463 56.310 55.803 0.073 0.000 0.904 325 Q CB -0.226 28.574 28.738 0.103 0.000 1.052 325 Q HN 0.429 nan 8.270 nan 0.000 0.589 326 I N 1.025 121.666 120.570 0.118 0.000 2.235 326 I HA -0.149 4.021 4.170 -0.001 0.000 0.241 326 I C 2.443 178.613 176.117 0.088 0.000 1.085 326 I CA 0.669 62.061 61.300 0.154 0.000 1.378 326 I CB -1.243 36.880 38.000 0.206 0.000 1.076 326 I HN 0.133 nan 8.210 nan 0.000 0.415 327 L N 2.779 124.031 121.223 0.050 0.000 2.043 327 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 327 L C -0.346 176.539 176.870 0.025 0.000 1.075 327 L CA 2.361 57.216 54.840 0.026 0.000 0.752 327 L CB -1.781 40.264 42.059 -0.022 0.000 0.891 327 L HN 0.114 nan 8.230 nan 0.000 0.432 328 P HA -0.129 nan 4.420 nan 0.000 0.218 328 P C 1.799 179.107 177.300 0.013 0.000 1.149 328 P CA 1.576 64.687 63.100 0.018 0.000 0.817 328 P CB -0.261 31.448 31.700 0.015 0.000 0.785 329 C N -0.527 118.780 119.300 0.011 0.000 2.457 329 C HA 0.018 4.478 4.460 -0.001 0.000 0.278 329 C C 2.955 177.936 174.990 -0.015 0.000 1.309 329 C CA 0.222 59.231 59.018 -0.014 0.000 1.735 329 C CB -1.604 26.115 27.740 -0.036 0.000 1.992 329 C HN 0.164 nan 8.230 nan 0.000 0.493 330 I N 0.844 121.420 120.570 0.009 0.000 2.315 330 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 330 I C 2.403 178.531 176.117 0.018 0.000 1.117 330 I CA 1.496 62.806 61.300 0.016 0.000 1.404 330 I CB -0.408 37.618 38.000 0.042 0.000 1.071 330 I HN 0.376 nan 8.210 nan 0.000 0.419 331 K N 0.312 120.726 120.400 0.024 0.000 2.147 331 K HA -0.178 4.142 4.320 -0.001 0.000 0.205 331 K C 2.047 178.655 176.600 0.012 0.000 1.049 331 K CA 0.985 57.288 56.287 0.027 0.000 0.936 331 K CB -0.032 32.488 32.500 0.034 0.000 0.722 331 K HN 0.201 nan 8.250 nan 0.000 0.446 332 E N 1.038 121.239 120.200 0.002 0.000 2.028 332 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 332 E C 2.048 178.639 176.600 -0.014 0.000 0.988 332 E CA 1.056 57.450 56.400 -0.009 0.000 0.799 332 E CB -0.192 29.496 29.700 -0.020 0.000 0.755 332 E HN 0.277 nan 8.360 nan 0.000 0.447 333 L N 0.507 121.717 121.223 -0.021 0.000 2.131 333 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 333 L C 2.416 179.279 176.870 -0.011 0.000 1.092 333 L CA 0.549 55.374 54.840 -0.025 0.000 0.759 333 L CB -0.418 41.618 42.059 -0.037 0.000 0.903 333 L HN -0.021 nan 8.230 nan 0.000 0.435 334 V N -1.082 118.832 119.914 0.000 0.000 3.026 334 V HA -0.204 3.915 4.120 -0.001 0.000 0.265 334 V C 1.951 178.045 176.094 0.001 0.000 1.121 334 V CA 1.698 64.002 62.300 0.006 0.000 1.142 334 V CB -0.197 31.637 31.823 0.018 0.000 0.730 334 V HN 0.375 nan 8.190 nan 0.000 0.503 335 S N -1.964 113.735 115.700 -0.003 0.000 2.539 335 S HA 0.102 4.571 4.470 -0.001 0.000 0.221 335 S C 0.682 175.277 174.600 -0.009 0.000 0.987 335 S CA -0.415 57.782 58.200 -0.005 0.000 0.929 335 S CB -0.032 63.166 63.200 -0.003 0.000 0.832 335 S HN 0.623 nan 8.310 nan 0.000 0.492 336 D N 1.705 122.098 120.400 -0.012 0.000 2.474 336 D HA 0.066 4.706 4.640 -0.001 0.000 0.232 336 D C 1.226 177.519 176.300 -0.011 0.000 1.177 336 D CA 0.451 54.442 54.000 -0.015 0.000 0.876 336 D CB 0.940 41.728 40.800 -0.019 0.000 1.208 336 D HN 0.210 nan 8.370 nan 0.000 0.464 337 A N 3.953 126.766 122.820 -0.013 0.000 1.840 337 A HA -0.143 4.177 4.320 -0.001 0.000 0.214 337 A C 1.047 178.628 177.584 -0.005 0.000 1.198 337 A CA 0.735 52.765 52.037 -0.011 0.000 0.608 337 A CB -0.583 18.407 19.000 -0.017 0.000 0.839 337 A HN 0.717 nan 8.150 nan 0.000 0.443 338 N N 0.811 119.511 118.700 -0.001 0.000 2.411 338 N HA 0.093 4.832 4.740 -0.001 0.000 0.261 338 N C 0.805 176.336 175.510 0.034 0.000 1.248 338 N CA 0.220 53.282 53.050 0.020 0.000 0.885 338 N CB 0.525 39.036 38.487 0.041 0.000 1.062 338 N HN 0.446 nan 8.380 nan 0.000 0.471 339 Q N 0.849 120.674 119.800 0.041 0.000 2.435 339 Q HA -0.164 4.176 4.340 -0.001 0.000 0.207 339 Q C 0.876 176.918 176.000 0.070 0.000 0.956 339 Q CA 0.638 56.464 55.803 0.039 0.000 0.917 339 Q CB -0.017 28.739 28.738 0.029 0.000 0.997 339 Q HN 0.680 nan 8.270 nan 0.000 0.497 340 H N 0.772 119.831 119.070 -0.017 0.000 2.353 340 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 340 H C 1.755 177.080 175.328 -0.005 0.000 1.090 340 H CA 1.509 57.549 56.048 -0.013 0.000 1.327 340 H CB 0.073 29.821 29.762 -0.022 0.000 1.383 340 H HN -0.023 nan 8.280 nan 0.000 0.508 341 V N 0.648 120.547 119.914 -0.026 0.000 2.302 341 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 341 V C 2.270 178.332 176.094 -0.054 0.000 1.036 341 V CA 1.836 64.086 62.300 -0.083 0.000 1.020 341 V CB -0.352 31.450 31.823 -0.034 0.000 0.657 341 V HN 0.365 nan 8.190 nan 0.000 0.453 342 K N 0.211 120.599 120.400 -0.021 0.000 2.160 342 K HA -0.214 4.106 4.320 -0.001 0.000 0.206 342 K C 2.458 179.053 176.600 -0.009 0.000 1.047 342 K CA 1.694 57.975 56.287 -0.010 0.000 0.930 342 K CB -0.379 32.120 32.500 -0.001 0.000 0.720 342 K HN 0.384 nan 8.250 nan 0.000 0.450 343 S N 0.706 116.394 115.700 -0.019 0.000 2.351 343 S HA -0.184 4.286 4.470 -0.001 0.000 0.220 343 S C 2.123 176.712 174.600 -0.019 0.000 1.035 343 S CA 1.408 59.598 58.200 -0.017 0.000 1.031 343 S CB -0.237 62.951 63.200 -0.021 0.000 0.928 343 S HN 0.418 nan 8.310 nan 0.000 0.433 344 A N 1.236 124.017 122.820 -0.065 0.000 1.908 344 A HA -0.054 4.266 4.320 -0.001 0.000 0.218 344 A C 2.160 179.790 177.584 0.075 0.000 1.181 344 A CA 1.769 53.802 52.037 -0.008 0.000 0.627 344 A CB -0.899 18.053 19.000 -0.080 0.000 0.818 344 A HN 0.559 nan 8.150 nan 0.000 0.445 345 L N -0.179 121.062 121.223 0.029 0.000 1.994 345 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 345 L C 2.673 179.573 176.870 0.049 0.000 1.071 345 L CA 2.327 57.191 54.840 0.039 0.000 0.745 345 L CB -1.014 41.056 42.059 0.018 0.000 0.892 345 L HN 0.332 nan 8.230 nan 0.000 0.431 346 A N -0.909 121.935 122.820 0.040 0.000 2.024 346 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 346 A C 2.333 179.949 177.584 0.053 0.000 1.164 346 A CA 1.853 53.917 52.037 0.045 0.000 0.643 346 A CB -1.130 17.888 19.000 0.030 0.000 0.806 346 A HN 0.688 nan 8.150 nan 0.000 0.451 347 S N -0.986 114.752 115.700 0.063 0.000 2.607 347 S HA 0.154 4.623 4.470 -0.001 0.000 0.224 347 S C 1.004 175.643 174.600 0.065 0.000 0.969 347 S CA 1.003 59.247 58.200 0.074 0.000 0.927 347 S CB -0.242 63.022 63.200 0.106 0.000 0.772 347 S HN 1.309 nan 8.310 nan 0.000 0.533 348 V N -3.571 116.372 119.914 0.049 0.000 3.289 348 V HA 0.407 4.526 4.120 -0.001 0.000 0.262 348 V C 1.428 177.535 176.094 0.020 0.000 1.707 348 V CA 0.069 62.378 62.300 0.015 0.000 1.024 348 V CB -0.911 30.891 31.823 -0.035 0.000 0.871 348 V HN 0.331 nan 8.190 nan 0.000 0.397 349 I N 0.521 121.114 120.570 0.039 0.000 2.194 349 I HA -0.190 3.980 4.170 -0.001 0.000 0.246 349 I C 2.291 178.429 176.117 0.034 0.000 1.093 349 I CA 2.008 63.335 61.300 0.045 0.000 1.355 349 I CB 0.134 38.171 38.000 0.061 0.000 1.046 349 I HN 0.275 nan 8.210 nan 0.000 0.413 350 M N 0.314 119.933 119.600 0.031 0.000 2.686 350 M HA 0.007 4.487 4.480 -0.001 0.000 0.246 350 M C 1.898 178.182 176.300 -0.027 0.000 1.096 350 M CA 0.773 56.069 55.300 -0.007 0.000 1.076 350 M CB -1.471 31.117 32.600 -0.019 0.000 1.504 350 M HN 0.319 nan 8.290 nan 0.000 0.524 351 G N -0.644 108.148 108.800 -0.012 0.000 2.848 351 G HA2 0.049 4.009 3.960 -0.001 0.000 0.208 351 G HA3 0.049 4.009 3.960 -0.001 0.000 0.208 351 G C 1.442 176.330 174.900 -0.020 0.000 1.152 351 G CA -0.030 45.058 45.100 -0.021 0.000 0.789 351 G HN 0.416 nan 8.290 nan 0.000 0.531 352 L N 0.149 121.365 121.223 -0.013 0.000 2.446 352 L HA 0.050 4.389 4.340 -0.001 0.000 0.219 352 L C 2.796 179.654 176.870 -0.020 0.000 1.116 352 L CA 0.055 54.889 54.840 -0.009 0.000 0.844 352 L CB -0.099 41.965 42.059 0.009 0.000 0.970 352 L HN 0.120 nan 8.230 nan 0.000 0.457 353 S N 1.255 116.936 115.700 -0.032 0.000 2.359 353 S HA -0.104 4.365 4.470 -0.001 0.000 0.223 353 S C -0.802 173.777 174.600 -0.036 0.000 1.039 353 S CA 1.580 59.755 58.200 -0.041 0.000 1.042 353 S CB -1.250 61.908 63.200 -0.069 0.000 0.915 353 S HN 0.358 nan 8.310 nan 0.000 0.439 354 P HA 0.128 nan 4.420 nan 0.000 0.269 354 P C 0.149 177.429 177.300 -0.033 0.000 1.376 354 P CA 0.847 63.926 63.100 -0.036 0.000 0.775 354 P CB -0.518 31.160 31.700 -0.037 0.000 1.345 355 I N -2.077 118.475 120.570 -0.031 0.000 4.219 355 I HA 0.190 4.360 4.170 -0.001 0.000 0.329 355 I C 1.308 177.408 176.117 -0.029 0.000 1.427 355 I CA 0.024 61.304 61.300 -0.034 0.000 1.151 355 I CB 0.471 38.447 38.000 -0.038 0.000 1.369 355 I HN -0.125 nan 8.210 nan 0.000 0.521 356 L N 0.370 121.581 121.223 -0.021 0.000 3.227 356 L HA 0.472 4.811 4.340 -0.001 0.000 0.287 356 L C 0.853 177.720 176.870 -0.004 0.000 1.161 356 L CA 0.234 55.068 54.840 -0.011 0.000 1.048 356 L CB 1.135 43.194 42.059 0.001 0.000 1.541 356 L HN 0.337 nan 8.230 nan 0.000 0.590 357 G N 1.331 110.123 108.800 -0.013 0.000 2.746 357 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.685 357 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.685 357 G C 0.247 175.139 174.900 -0.013 0.000 1.350 357 G CA 0.166 45.258 45.100 -0.013 0.000 0.837 357 G HN 0.098 nan 8.290 nan 0.000 0.564 358 K N -0.299 120.090 120.400 -0.018 0.000 2.020 358 K HA -0.176 4.143 4.320 -0.001 0.000 0.212 358 K C 1.957 178.549 176.600 -0.013 0.000 1.050 358 K CA 2.331 58.604 56.287 -0.023 0.000 0.929 358 K CB -0.320 32.166 32.500 -0.024 0.000 0.714 358 K HN 0.571 nan 8.250 nan 0.000 0.443 359 D N 0.581 120.980 120.400 -0.001 0.000 2.092 359 D HA -0.175 4.464 4.640 -0.001 0.000 0.193 359 D C 1.842 178.162 176.300 0.032 0.000 0.994 359 D CA 1.027 55.033 54.000 0.009 0.000 0.828 359 D CB -0.504 40.304 40.800 0.014 0.000 0.963 359 D HN 0.289 nan 8.370 nan 0.000 0.450 360 N N 0.346 119.082 118.700 0.061 0.000 2.120 360 N HA -0.098 4.641 4.740 -0.001 0.000 0.188 360 N C 1.893 177.479 175.510 0.126 0.000 1.024 360 N CA 1.094 54.229 53.050 0.143 0.000 0.852 360 N CB -0.486 38.059 38.487 0.098 0.000 1.003 360 N HN 0.160 nan 8.380 nan 0.000 0.424 361 T N 2.195 116.777 114.554 0.046 0.000 2.652 361 T HA -0.040 4.310 4.350 -0.001 0.000 0.267 361 T C 2.118 176.817 174.700 -0.001 0.000 1.039 361 T CA 0.837 62.945 62.100 0.013 0.000 1.153 361 T CB -0.284 68.563 68.868 -0.035 0.000 0.863 361 T HN 0.192 nan 8.240 nan 0.000 0.428 362 I N 0.750 121.308 120.570 -0.019 0.000 2.248 362 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 362 I C 2.685 178.776 176.117 -0.042 0.000 1.107 362 I CA 1.577 62.859 61.300 -0.029 0.000 1.373 362 I CB -0.312 37.671 38.000 -0.029 0.000 1.055 362 I HN 0.385 nan 8.210 nan 0.000 0.418 363 E N -0.277 119.877 120.200 -0.075 0.000 2.216 363 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 363 E C 1.765 178.157 176.600 -0.346 0.000 0.973 363 E CA 0.664 56.930 56.400 -0.223 0.000 0.851 363 E CB 0.203 29.705 29.700 -0.331 0.000 0.804 363 E HN 0.599 nan 8.360 nan 0.000 0.477 364 H N -1.046 118.033 119.070 0.015 0.000 2.681 364 H HA 0.231 4.786 4.556 -0.001 0.000 0.268 364 H C 1.662 177.009 175.328 0.032 0.000 0.967 364 H CA 0.216 56.277 56.048 0.022 0.000 1.233 364 H CB 0.685 30.457 29.762 0.017 0.000 1.445 364 H HN 0.045 nan 8.280 nan 0.000 0.494 365 L N -0.466 120.833 121.223 0.127 0.000 2.200 365 L HA -0.002 4.338 4.340 -0.001 0.000 0.200 365 L C 1.525 178.464 176.870 0.116 0.000 1.072 365 L CA 0.222 55.121 54.840 0.099 0.000 0.787 365 L CB -0.107 41.983 42.059 0.051 0.000 0.957 365 L HN 0.180 nan 8.230 nan 0.000 0.459 366 L N 0.691 121.964 121.223 0.082 0.000 2.137 366 L HA -0.179 4.161 4.340 -0.001 0.000 0.213 366 L C -0.467 176.552 176.870 0.249 0.000 1.085 366 L CA 2.286 57.228 54.840 0.171 0.000 0.760 366 L CB -1.529 40.585 42.059 0.092 0.000 0.893 366 L HN 0.129 nan 8.230 nan 0.000 0.434 367 P HA -0.104 nan 4.420 nan 0.000 0.215 367 P C 2.049 179.410 177.300 0.101 0.000 1.157 367 P CA 1.093 64.253 63.100 0.100 0.000 0.856 367 P CB 0.077 31.811 31.700 0.057 0.000 0.786 368 L N -2.045 119.247 121.223 0.116 0.000 2.131 368 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 368 L C 2.403 179.351 176.870 0.130 0.000 1.092 368 L CA 1.282 56.182 54.840 0.100 0.000 0.759 368 L CB -1.011 41.107 42.059 0.099 0.000 0.903 368 L HN -0.024 nan 8.230 nan 0.000 0.435 369 F N 1.124 121.081 119.950 0.011 0.000 2.126 369 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 369 F C 2.079 177.882 175.800 0.005 0.000 1.096 369 F CA 1.611 59.614 58.000 0.004 0.000 1.255 369 F CB -0.289 38.711 39.000 0.002 0.000 0.997 369 F HN -0.116 nan 8.300 nan 0.000 0.479 370 L N -0.070 121.058 121.223 -0.157 0.000 2.179 370 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 370 L C 2.790 179.571 176.870 -0.149 0.000 1.096 370 L CA 0.857 55.528 54.840 -0.281 0.000 0.779 370 L CB -1.078 40.908 42.059 -0.121 0.000 0.922 370 L HN 0.242 nan 8.230 nan 0.000 0.443 371 A N -0.447 122.338 122.820 -0.059 0.000 2.024 371 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 371 A C 2.172 179.729 177.584 -0.044 0.000 1.164 371 A CA 1.553 53.569 52.037 -0.034 0.000 0.643 371 A CB -0.268 18.732 19.000 -0.001 0.000 0.806 371 A HN 0.529 nan 8.150 nan 0.000 0.451 372 Q N -1.824 117.939 119.800 -0.061 0.000 2.373 372 Q HA 0.186 4.526 4.340 -0.001 0.000 0.210 372 Q C 1.558 177.504 176.000 -0.091 0.000 0.913 372 Q CA 0.188 55.960 55.803 -0.053 0.000 0.911 372 Q CB 0.015 28.742 28.738 -0.018 0.000 1.040 372 Q HN 0.496 nan 8.270 nan 0.000 0.521 373 L N 0.907 122.021 121.223 -0.183 0.000 2.465 373 L HA -0.074 4.265 4.340 -0.001 0.000 0.224 373 L C 0.549 177.357 176.870 -0.103 0.000 1.145 373 L CA 1.589 56.303 54.840 -0.209 0.000 0.834 373 L CB 0.265 42.072 42.059 -0.420 0.000 0.944 373 L HN -0.070 nan 8.230 nan 0.000 0.451 374 K N -0.884 119.467 120.400 -0.082 0.000 2.896 374 K HA 0.185 4.504 4.320 -0.001 0.000 0.210 374 K C -0.502 176.084 176.600 -0.024 0.000 1.116 374 K CA -0.201 56.063 56.287 -0.039 0.000 1.050 374 K CB 0.522 32.997 32.500 -0.042 0.000 0.812 374 K HN 0.074 nan 8.250 nan 0.000 0.462 375 D N 0.812 121.199 120.400 -0.021 0.000 2.340 375 D HA 0.052 4.691 4.640 -0.001 0.000 0.251 375 D C 0.885 177.183 176.300 -0.003 0.000 1.080 375 D CA -0.213 53.780 54.000 -0.012 0.000 0.971 375 D CB 1.238 42.031 40.800 -0.011 0.000 1.137 375 D HN 0.119 nan 8.370 nan 0.000 0.475 376 E N 0.404 120.602 120.200 -0.004 0.000 2.008 376 E HA -0.049 4.300 4.350 -0.001 0.000 0.191 376 E C 0.772 177.372 176.600 0.001 0.000 0.986 376 E CA 0.271 56.668 56.400 -0.005 0.000 0.807 376 E CB -0.378 29.317 29.700 -0.009 0.000 0.766 376 E HN 0.302 nan 8.360 nan 0.000 0.450 377 C N 3.397 122.698 119.300 0.003 0.000 2.409 377 C HA 0.003 4.462 4.460 -0.001 0.000 0.398 377 C C -1.221 173.779 174.990 0.018 0.000 1.507 377 C CA -1.331 57.691 59.018 0.008 0.000 1.460 377 C CB 0.114 27.860 27.740 0.010 0.000 2.472 377 C HN 0.240 nan 8.230 nan 0.000 0.614 378 P HA -0.120 nan 4.420 nan 0.000 0.217 378 P C 1.405 178.736 177.300 0.052 0.000 1.150 378 P CA 1.498 64.627 63.100 0.047 0.000 0.832 378 P CB -0.014 31.707 31.700 0.034 0.000 0.787 379 E N -0.406 119.815 120.200 0.035 0.000 2.118 379 E HA -0.110 4.240 4.350 -0.001 0.000 0.195 379 E C 2.091 178.704 176.600 0.022 0.000 0.992 379 E CA 1.042 57.461 56.400 0.031 0.000 0.804 379 E CB -1.125 28.591 29.700 0.028 0.000 0.741 379 E HN 0.150 nan 8.360 nan 0.000 0.458 380 V N 2.459 122.383 119.914 0.017 0.000 2.295 380 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 380 V C 2.548 178.638 176.094 -0.006 0.000 1.049 380 V CA 2.345 64.650 62.300 0.008 0.000 1.024 380 V CB -0.598 31.229 31.823 0.005 0.000 0.648 380 V HN 0.326 nan 8.190 nan 0.000 0.447 381 R N -0.221 120.274 120.500 -0.008 0.000 2.189 381 R HA -0.060 4.280 4.340 -0.001 0.000 0.218 381 R C 2.102 178.329 176.300 -0.121 0.000 1.074 381 R CA 0.977 57.044 56.100 -0.054 0.000 0.991 381 R CB -0.544 29.746 30.300 -0.016 0.000 0.883 381 R HN 0.347 nan 8.270 nan 0.000 0.457 382 L N 2.059 123.245 121.223 -0.061 0.000 2.109 382 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 382 L C 1.592 178.428 176.870 -0.057 0.000 1.086 382 L CA 1.537 56.328 54.840 -0.081 0.000 0.760 382 L CB -0.755 41.320 42.059 0.026 0.000 0.910 382 L HN 0.157 nan 8.230 nan 0.000 0.437 383 N N -0.279 118.410 118.700 -0.017 0.000 2.166 383 N HA -0.151 4.588 4.740 -0.001 0.000 0.186 383 N C 1.790 177.306 175.510 0.009 0.000 1.019 383 N CA 1.304 54.358 53.050 0.005 0.000 0.856 383 N CB -0.100 38.400 38.487 0.022 0.000 0.993 383 N HN 0.243 nan 8.380 nan 0.000 0.426 384 I N 1.276 121.848 120.570 0.005 0.000 2.252 384 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 384 I C 2.024 178.170 176.117 0.049 0.000 1.102 384 I CA 0.738 62.071 61.300 0.056 0.000 1.385 384 I CB -0.774 37.256 38.000 0.050 0.000 1.064 384 I HN 0.046 nan 8.210 nan 0.000 0.414 385 I N 0.456 120.989 120.570 -0.061 0.000 2.493 385 I HA -0.154 4.016 4.170 -0.001 0.000 0.254 385 I C 2.351 178.443 176.117 -0.043 0.000 1.160 385 I CA 1.024 62.264 61.300 -0.100 0.000 1.445 385 I CB -1.056 36.724 38.000 -0.366 0.000 1.086 385 I HN 0.128 nan 8.210 nan 0.000 0.433 386 S N 0.928 116.610 115.700 -0.030 0.000 2.522 386 S HA 0.050 4.520 4.470 -0.001 0.000 0.227 386 S C 0.829 175.432 174.600 0.005 0.000 0.986 386 S CA 0.407 58.603 58.200 -0.007 0.000 0.929 386 S CB -0.128 63.072 63.200 0.001 0.000 0.769 386 S HN 0.443 nan 8.310 nan 0.000 0.529 387 N N 1.206 119.914 118.700 0.012 0.000 2.813 387 N HA 0.328 5.068 4.740 -0.001 0.000 0.282 387 N C -0.244 175.263 175.510 -0.005 0.000 1.748 387 N CA 0.015 53.069 53.050 0.006 0.000 0.860 387 N CB 1.070 39.564 38.487 0.012 0.000 1.204 387 N HN 0.246 nan 8.380 nan 0.000 0.490 388 L N -0.656 120.559 121.223 -0.013 0.000 2.609 388 L HA 0.145 4.485 4.340 -0.001 0.000 0.230 388 L C 1.664 178.492 176.870 -0.070 0.000 1.087 388 L CA 0.087 54.899 54.840 -0.046 0.000 0.874 388 L CB 0.269 42.317 42.059 -0.018 0.000 1.114 388 L HN 0.083 nan 8.230 nan 0.000 0.488 389 D N -0.064 120.309 120.400 -0.045 0.000 2.149 389 D HA -0.266 4.374 4.640 -0.001 0.000 0.194 389 D C 2.096 178.361 176.300 -0.058 0.000 1.001 389 D CA 1.529 55.502 54.000 -0.046 0.000 0.849 389 D CB 0.069 40.852 40.800 -0.028 0.000 0.939 389 D HN 0.349 nan 8.370 nan 0.000 0.449 390 C N -0.137 119.128 119.300 -0.059 0.000 2.500 390 C HA -0.033 4.426 4.460 -0.001 0.000 0.279 390 C C 2.875 177.812 174.990 -0.088 0.000 1.288 390 C CA 0.187 59.167 59.018 -0.063 0.000 1.710 390 C CB -0.836 26.873 27.740 -0.051 0.000 2.052 390 C HN 0.128 nan 8.230 nan 0.000 0.488 391 V N 1.795 121.635 119.914 -0.123 0.000 2.407 391 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 391 V C 2.290 178.288 176.094 -0.161 0.000 1.055 391 V CA 2.431 64.628 62.300 -0.171 0.000 1.049 391 V CB -0.958 30.688 31.823 -0.295 0.000 0.662 391 V HN 0.636 nan 8.190 nan 0.000 0.455 392 N N 0.671 119.282 118.700 -0.148 0.000 2.216 392 N HA -0.157 4.582 4.740 -0.001 0.000 0.183 392 N C 1.688 177.137 175.510 -0.101 0.000 1.017 392 N CA 1.370 54.338 53.050 -0.137 0.000 0.861 392 N CB -0.130 38.276 38.487 -0.136 0.000 0.986 392 N HN 0.586 nan 8.380 nan 0.000 0.428 393 E N -0.933 119.219 120.200 -0.081 0.000 2.502 393 E HA 0.014 4.364 4.350 -0.001 0.000 0.194 393 E C 0.919 177.485 176.600 -0.057 0.000 1.062 393 E CA -0.032 56.332 56.400 -0.060 0.000 0.867 393 E CB 0.575 30.246 29.700 -0.048 0.000 0.888 393 E HN 0.203 nan 8.360 nan 0.000 0.510 394 V N 0.971 120.844 119.914 -0.069 0.000 2.868 394 V HA 0.081 4.201 4.120 -0.001 0.000 0.227 394 V C 1.147 177.204 176.094 -0.062 0.000 1.136 394 V CA 0.205 62.469 62.300 -0.060 0.000 1.206 394 V CB 0.054 31.838 31.823 -0.065 0.000 0.997 394 V HN 0.202 nan 8.190 nan 0.000 0.505 395 I N 0.050 120.573 120.570 -0.079 0.000 3.156 395 I HA 0.661 4.830 4.170 -0.001 0.000 0.306 395 I C 0.605 176.677 176.117 -0.075 0.000 1.048 395 I CA -0.205 61.052 61.300 -0.072 0.000 1.207 395 I CB 0.461 38.409 38.000 -0.086 0.000 1.456 395 I HN 0.236 nan 8.210 nan 0.000 0.616 396 G N 1.495 110.258 108.800 -0.062 0.000 2.415 396 G HA2 0.277 4.237 3.960 -0.001 0.000 0.269 396 G HA3 0.277 4.237 3.960 -0.001 0.000 0.269 396 G C 0.434 175.284 174.900 -0.082 0.000 1.209 396 G CA -0.520 44.544 45.100 -0.060 0.000 0.835 396 G HN 0.831 nan 8.290 nan 0.000 0.534 397 I N 1.417 121.929 120.570 -0.097 0.000 2.367 397 I HA -0.285 3.884 4.170 -0.001 0.000 0.256 397 I C 2.731 178.776 176.117 -0.120 0.000 1.132 397 I CA 1.899 63.101 61.300 -0.163 0.000 1.397 397 I CB -0.029 37.876 38.000 -0.158 0.000 1.074 397 I HN 0.758 nan 8.210 nan 0.000 0.435 398 R N -0.730 119.746 120.500 -0.040 0.000 2.075 398 R HA -0.046 4.293 4.340 -0.001 0.000 0.226 398 R C 2.076 178.378 176.300 0.002 0.000 1.114 398 R CA 0.794 56.900 56.100 0.010 0.000 0.972 398 R CB -0.993 29.322 30.300 0.024 0.000 0.869 398 R HN 0.310 nan 8.270 nan 0.000 0.437 399 Q N 0.805 120.593 119.800 -0.020 0.000 2.291 399 Q HA -0.071 4.268 4.340 -0.001 0.000 0.205 399 Q C 1.936 177.921 176.000 -0.024 0.000 0.970 399 Q CA 1.018 56.810 55.803 -0.018 0.000 0.876 399 Q CB 0.021 28.741 28.738 -0.031 0.000 0.935 399 Q HN 0.342 nan 8.270 nan 0.000 0.455 400 L N -0.404 120.783 121.223 -0.059 0.000 2.084 400 L HA 0.026 4.365 4.340 -0.001 0.000 0.202 400 L C 2.259 179.131 176.870 0.003 0.000 1.074 400 L CA 1.761 56.556 54.840 -0.075 0.000 0.757 400 L CB -0.924 41.036 42.059 -0.163 0.000 0.918 400 L HN -0.009 nan 8.230 nan 0.000 0.444 401 S N -0.943 114.743 115.700 -0.022 0.000 2.419 401 S HA -0.291 4.178 4.470 -0.001 0.000 0.235 401 S C 2.015 176.700 174.600 0.141 0.000 1.019 401 S CA 1.713 59.979 58.200 0.110 0.000 0.982 401 S CB -0.353 62.981 63.200 0.225 0.000 0.789 401 S HN 0.680 nan 8.310 nan 0.000 0.490 402 Q N -0.467 119.388 119.800 0.090 0.000 2.435 402 Q HA 0.121 4.461 4.340 -0.001 0.000 0.207 402 Q C 1.645 177.700 176.000 0.092 0.000 0.956 402 Q CA 1.005 56.856 55.803 0.081 0.000 0.917 402 Q CB -0.021 28.748 28.738 0.052 0.000 0.997 402 Q HN 0.527 nan 8.270 nan 0.000 0.497 403 S N -1.190 114.584 115.700 0.124 0.000 2.666 403 S HA 0.119 4.588 4.470 -0.001 0.000 0.239 403 S C 0.875 175.633 174.600 0.263 0.000 1.031 403 S CA -0.246 58.060 58.200 0.176 0.000 1.015 403 S CB 0.406 63.721 63.200 0.192 0.000 0.981 403 S HN 0.429 nan 8.310 nan 0.000 0.547 404 L N 0.192 121.566 121.223 0.253 0.000 2.600 404 L HA 0.551 4.891 4.340 -0.001 0.000 0.213 404 L C 1.576 178.549 176.870 0.173 0.000 1.045 404 L CA 0.808 55.799 54.840 0.251 0.000 0.863 404 L CB -0.712 41.563 42.059 0.359 0.000 1.189 404 L HN 0.261 nan 8.230 nan 0.000 0.484 405 L N 1.140 122.477 121.223 0.191 0.000 2.043 405 L HA -0.080 4.260 4.340 -0.001 0.000 0.212 405 L C -0.624 176.311 176.870 0.108 0.000 1.075 405 L CA 2.353 57.296 54.840 0.171 0.000 0.752 405 L CB -1.531 40.639 42.059 0.184 0.000 0.891 405 L HN 0.200 nan 8.230 nan 0.000 0.432 406 P HA -0.073 nan 4.420 nan 0.000 0.221 406 P C 1.468 178.802 177.300 0.055 0.000 1.150 406 P CA 1.513 64.648 63.100 0.059 0.000 0.800 406 P CB -0.077 31.652 31.700 0.049 0.000 0.787 407 A N -0.514 122.339 122.820 0.055 0.000 1.877 407 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 407 A C 2.135 179.765 177.584 0.078 0.000 1.186 407 A CA 1.469 53.528 52.037 0.037 0.000 0.620 407 A CB -1.546 17.444 19.000 -0.017 0.000 0.822 407 A HN 0.084 nan 8.150 nan 0.000 0.443 408 I N -0.541 120.098 120.570 0.115 0.000 2.090 408 I HA -0.207 3.962 4.170 -0.001 0.000 0.236 408 I C 2.321 178.521 176.117 0.137 0.000 1.064 408 I CA 1.278 62.678 61.300 0.166 0.000 1.324 408 I CB -0.492 37.630 38.000 0.203 0.000 1.044 408 I HN 0.132 nan 8.210 nan 0.000 0.399 409 V N 0.841 120.809 119.914 0.090 0.000 2.546 409 V HA -0.320 3.800 4.120 -0.001 0.000 0.254 409 V C 2.419 178.547 176.094 0.057 0.000 1.076 409 V CA 2.156 64.485 62.300 0.048 0.000 1.087 409 V CB -0.789 31.040 31.823 0.010 0.000 0.674 409 V HN 0.518 nan 8.190 nan 0.000 0.470 410 E N -0.387 119.851 120.200 0.063 0.000 2.216 410 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 410 E C 2.031 178.672 176.600 0.067 0.000 0.988 410 E CA 0.671 57.103 56.400 0.054 0.000 0.834 410 E CB 0.086 29.811 29.700 0.042 0.000 0.772 410 E HN 0.623 nan 8.360 nan 0.000 0.479 411 L N -0.292 120.986 121.223 0.092 0.000 2.357 411 L HA 0.210 4.550 4.340 -0.001 0.000 0.211 411 L C 2.526 179.477 176.870 0.136 0.000 1.075 411 L CA 0.550 55.445 54.840 0.092 0.000 0.830 411 L CB -0.206 41.907 42.059 0.090 0.000 0.996 411 L HN 0.083 nan 8.230 nan 0.000 0.467 412 A N 0.324 123.274 122.820 0.216 0.000 2.076 412 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 412 A C 0.705 178.499 177.584 0.350 0.000 1.160 412 A CA 1.095 53.383 52.037 0.417 0.000 0.653 412 A CB -0.327 18.927 19.000 0.423 0.000 0.801 412 A HN 0.472 nan 8.150 nan 0.000 0.455 413 E N -0.252 120.055 120.200 0.178 0.000 2.267 413 E HA 0.484 4.833 4.350 -0.001 0.000 0.248 413 E C -1.427 175.226 176.600 0.089 0.000 0.899 413 E CA -0.373 56.100 56.400 0.122 0.000 0.764 413 E CB 1.030 30.768 29.700 0.063 0.000 1.227 413 E HN 0.444 nan 8.360 nan 0.000 0.421 414 D N 0.810 121.263 120.400 0.087 0.000 2.664 414 D HA 0.528 5.167 4.640 -0.001 0.000 0.292 414 D C 0.536 176.872 176.300 0.061 0.000 1.214 414 D CA -0.300 53.736 54.000 0.061 0.000 0.932 414 D CB 1.283 42.111 40.800 0.047 0.000 1.420 414 D HN 0.228 nan 8.370 nan 0.000 0.471 415 A N 0.541 123.389 122.820 0.046 0.000 1.873 415 A HA -0.068 4.251 4.320 -0.001 0.000 0.211 415 A C 0.295 177.918 177.584 0.065 0.000 1.218 415 A CA 1.280 53.347 52.037 0.050 0.000 0.659 415 A CB -0.836 18.182 19.000 0.030 0.000 0.853 415 A HN 0.536 nan 8.150 nan 0.000 0.466 416 K N 1.378 121.795 120.400 0.029 0.000 2.368 416 K HA 0.131 4.450 4.320 -0.001 0.000 0.282 416 K C 0.122 176.733 176.600 0.017 0.000 1.035 416 K CA -0.158 56.132 56.287 0.005 0.000 0.973 416 K CB 0.376 32.815 32.500 -0.101 0.000 0.957 416 K HN 0.716 nan 8.250 nan 0.000 0.474 417 W N 3.535 124.826 121.300 -0.015 0.000 2.126 417 W HA 0.128 4.788 4.660 -0.001 0.000 0.346 417 W C 0.341 176.825 176.519 -0.057 0.000 1.279 417 W CA -0.475 56.844 57.345 -0.044 0.000 1.259 417 W CB 0.241 29.683 29.460 -0.031 0.000 1.133 417 W HN 0.752 nan 8.180 nan 0.000 0.592 418 R N -0.603 119.710 120.500 -0.311 0.000 1.526 418 R HA -0.222 4.117 4.340 -0.001 0.000 0.115 418 R C 1.273 177.395 176.300 -0.297 0.000 0.896 418 R CA 1.261 57.019 56.100 -0.570 0.000 1.911 418 R CB -1.850 27.957 30.300 -0.822 0.000 0.609 418 R HN 0.446 nan 8.270 nan 0.000 0.683 419 V N 2.473 122.251 119.914 -0.227 0.000 2.453 419 V HA -0.121 3.998 4.120 -0.001 0.000 0.247 419 V C 2.497 178.511 176.094 -0.132 0.000 1.048 419 V CA 2.171 64.382 62.300 -0.147 0.000 1.049 419 V CB -0.466 31.302 31.823 -0.092 0.000 0.672 419 V HN 0.257 nan 8.190 nan 0.000 0.457 420 R N -0.577 119.863 120.500 -0.099 0.000 2.062 420 R HA -0.071 4.268 4.340 -0.001 0.000 0.229 420 R C 2.250 178.376 176.300 -0.290 0.000 1.128 420 R CA 1.314 57.344 56.100 -0.117 0.000 0.960 420 R CB -0.654 29.628 30.300 -0.030 0.000 0.855 420 R HN 0.385 nan 8.270 nan 0.000 0.432 421 L N 1.303 122.397 121.223 -0.214 0.000 2.081 421 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 421 L C 2.244 178.922 176.870 -0.320 0.000 1.080 421 L CA 1.993 56.688 54.840 -0.242 0.000 0.754 421 L CB -0.493 41.523 42.059 -0.071 0.000 0.893 421 L HN 0.139 nan 8.230 nan 0.000 0.433 422 A N -0.341 122.289 122.820 -0.316 0.000 1.902 422 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 422 A C 2.073 179.212 177.584 -0.740 0.000 1.181 422 A CA 1.820 53.614 52.037 -0.405 0.000 0.623 422 A CB -0.716 18.099 19.000 -0.308 0.000 0.818 422 A HN 0.459 nan 8.150 nan 0.000 0.443 423 I N 0.040 120.246 120.570 -0.606 0.000 2.546 423 I HA -0.136 4.034 4.170 -0.001 0.000 0.255 423 I C 2.171 178.067 176.117 -0.368 0.000 1.163 423 I CA 0.840 61.802 61.300 -0.562 0.000 1.457 423 I CB -1.188 36.770 38.000 -0.070 0.000 1.092 423 I HN 0.308 nan 8.210 nan 0.000 0.434 424 I N 0.966 121.200 120.570 -0.560 0.000 2.493 424 I HA -0.211 3.959 4.170 -0.001 0.000 0.254 424 I C 1.500 177.514 176.117 -0.171 0.000 1.160 424 I CA 1.127 62.094 61.300 -0.555 0.000 1.445 424 I CB -0.235 37.307 38.000 -0.763 0.000 1.086 424 I HN 0.255 nan 8.210 nan 0.000 0.433 425 E N -0.445 119.629 120.200 -0.209 0.000 2.437 425 E HA -0.043 4.307 4.350 -0.001 0.000 0.189 425 E C 0.776 177.458 176.600 0.136 0.000 1.054 425 E CA 0.106 56.473 56.400 -0.054 0.000 0.874 425 E CB 0.258 29.909 29.700 -0.082 0.000 1.011 425 E HN 0.455 nan 8.360 nan 0.000 0.474 426 Y N -0.524 119.818 120.300 0.069 0.000 2.535 426 Y HA 0.125 4.674 4.550 -0.001 0.000 0.266 426 Y C 1.912 177.896 175.900 0.141 0.000 1.088 426 Y CA -0.268 57.890 58.100 0.097 0.000 1.285 426 Y CB -0.000 38.532 38.460 0.120 0.000 1.166 426 Y HN 0.068 nan 8.280 nan 0.000 0.525 427 M N 0.975 120.786 119.600 0.352 0.000 2.110 427 M HA -0.164 4.315 4.480 -0.001 0.000 0.257 427 M C -0.329 176.094 176.300 0.206 0.000 1.071 427 M CA 1.843 57.359 55.300 0.360 0.000 1.096 427 M CB -2.555 30.308 32.600 0.439 0.000 1.300 427 M HN 0.050 nan 8.290 nan 0.000 0.411 428 P HA -0.150 nan 4.420 nan 0.000 0.218 428 P C 1.999 179.276 177.300 -0.039 0.000 1.146 428 P CA 1.403 64.475 63.100 -0.047 0.000 0.813 428 P CB -0.203 31.471 31.700 -0.043 0.000 0.778 429 L N -0.990 120.266 121.223 0.056 0.000 2.007 429 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 429 L C 2.912 179.831 176.870 0.083 0.000 1.073 429 L CA 1.148 56.020 54.840 0.053 0.000 0.744 429 L CB -1.091 41.013 42.059 0.075 0.000 0.898 429 L HN -0.135 nan 8.230 nan 0.000 0.435 430 L N -0.255 121.068 121.223 0.167 0.000 2.081 430 L HA -0.271 4.069 4.340 -0.001 0.000 0.212 430 L C 2.827 179.855 176.870 0.262 0.000 1.080 430 L CA 1.230 56.209 54.840 0.232 0.000 0.754 430 L CB -0.842 41.421 42.059 0.340 0.000 0.893 430 L HN 0.303 nan 8.230 nan 0.000 0.433 431 A N 0.574 123.522 122.820 0.213 0.000 1.834 431 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 431 A C 2.434 180.055 177.584 0.063 0.000 1.203 431 A CA 1.859 53.986 52.037 0.149 0.000 0.621 431 A CB -1.560 17.218 19.000 -0.370 0.000 0.841 431 A HN 0.417 nan 8.150 nan 0.000 0.446 432 G N -1.250 107.470 108.800 -0.132 0.000 2.517 432 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.222 432 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.222 432 G C 1.594 176.494 174.900 -0.000 0.000 1.109 432 G CA 1.254 46.287 45.100 -0.111 0.000 0.746 432 G HN 0.688 nan 8.290 nan 0.000 0.576 433 Q N -0.590 119.234 119.800 0.040 0.000 2.063 433 Q HA 0.229 4.569 4.340 -0.001 0.000 0.194 433 Q C 2.595 178.628 176.000 0.055 0.000 0.974 433 Q CA 0.369 56.195 55.803 0.038 0.000 0.827 433 Q CB -0.224 28.533 28.738 0.031 0.000 0.902 433 Q HN 0.397 nan 8.270 nan 0.000 0.462 434 L N 0.477 121.755 121.223 0.093 0.000 2.456 434 L HA 0.042 4.381 4.340 -0.001 0.000 0.224 434 L C 0.847 177.810 176.870 0.155 0.000 1.148 434 L CA 0.468 55.346 54.840 0.063 0.000 0.825 434 L CB -0.801 41.280 42.059 0.036 0.000 0.937 434 L HN 0.372 nan 8.230 nan 0.000 0.450 435 G N -0.907 108.023 108.800 0.216 0.000 2.663 435 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.686 435 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.686 435 G C 0.071 175.093 174.900 0.203 0.000 1.246 435 G CA -0.425 44.800 45.100 0.207 0.000 0.795 435 G HN -0.247 nan 8.290 nan 0.000 0.627 436 V N 0.387 120.270 119.914 -0.052 0.000 2.626 436 V HA -0.026 4.094 4.120 -0.001 0.000 0.252 436 V C 2.499 178.465 176.094 -0.214 0.000 1.067 436 V CA 3.122 65.032 62.300 -0.650 0.000 1.081 436 V CB -0.070 31.189 31.823 -0.941 0.000 0.686 436 V HN 0.902 nan 8.190 nan 0.000 0.468 437 E N -0.968 119.219 120.200 -0.022 0.000 2.152 437 E HA -0.230 4.120 4.350 -0.001 0.000 0.192 437 E C 2.016 178.686 176.600 0.116 0.000 0.983 437 E CA 1.342 57.769 56.400 0.046 0.000 0.818 437 E CB -0.264 29.472 29.700 0.060 0.000 0.758 437 E HN 0.634 nan 8.360 nan 0.000 0.467 438 F N 0.155 120.129 119.950 0.040 0.000 2.206 438 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 438 F C 1.734 177.581 175.800 0.079 0.000 1.090 438 F CA 0.974 59.009 58.000 0.059 0.000 1.323 438 F CB -0.391 38.658 39.000 0.081 0.000 1.028 438 F HN 0.089 nan 8.300 nan 0.000 0.492 439 F N 1.215 121.142 119.950 -0.038 0.000 2.186 439 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 439 F C 1.965 177.721 175.800 -0.074 0.000 1.090 439 F CA 1.856 59.820 58.000 -0.061 0.000 1.307 439 F CB -0.514 38.535 39.000 0.082 0.000 1.019 439 F HN -0.116 nan 8.300 nan 0.000 0.489 440 D N -0.208 120.236 120.400 0.072 0.000 2.312 440 D HA -0.133 4.507 4.640 -0.001 0.000 0.211 440 D C 1.879 178.107 176.300 -0.120 0.000 0.964 440 D CA 0.966 54.998 54.000 0.053 0.000 0.877 440 D CB -0.164 40.714 40.800 0.131 0.000 0.924 440 D HN 0.534 nan 8.370 nan 0.000 0.515 441 E N -0.517 119.559 120.200 -0.207 0.000 2.539 441 E HA 0.021 4.370 4.350 -0.001 0.000 0.215 441 E C 0.819 177.215 176.600 -0.340 0.000 0.965 441 E CA 0.120 56.388 56.400 -0.221 0.000 1.019 441 E CB 0.430 30.050 29.700 -0.133 0.000 1.059 441 E HN -0.116 nan 8.360 nan 0.000 0.496 442 K N -0.259 119.814 120.400 -0.545 0.000 2.589 442 K HA 0.243 4.562 4.320 -0.001 0.000 0.218 442 K C 1.386 177.667 176.600 -0.532 0.000 1.468 442 K CA 0.023 55.975 56.287 -0.558 0.000 1.002 442 K CB 0.929 32.932 32.500 -0.828 0.000 1.200 442 K HN 0.114 nan 8.250 nan 0.000 0.614 443 L N -0.256 120.558 121.223 -0.681 0.000 2.653 443 L HA 0.194 4.533 4.340 -0.001 0.000 0.230 443 L C 1.802 178.156 176.870 -0.860 0.000 1.055 443 L CA 0.172 54.575 54.840 -0.729 0.000 0.880 443 L CB -0.073 41.520 42.059 -0.776 0.000 1.195 443 L HN 0.002 nan 8.230 nan 0.000 0.492 444 N N 0.802 118.937 118.700 -0.942 0.000 2.205 444 N HA -0.203 4.536 4.740 -0.001 0.000 0.186 444 N C 1.963 177.290 175.510 -0.306 0.000 1.015 444 N CA 1.747 54.496 53.050 -0.502 0.000 0.862 444 N CB 0.145 38.514 38.487 -0.197 0.000 0.986 444 N HN 0.333 nan 8.380 nan 0.000 0.429 445 S N -0.091 115.413 115.700 -0.326 0.000 2.353 445 S HA -0.150 4.319 4.470 -0.001 0.000 0.222 445 S C 1.906 176.298 174.600 -0.346 0.000 1.035 445 S CA 1.005 59.040 58.200 -0.274 0.000 1.025 445 S CB -0.752 62.300 63.200 -0.247 0.000 0.902 445 S HN 0.201 nan 8.310 nan 0.000 0.440 446 L N 1.381 122.328 121.223 -0.459 0.000 2.083 446 L HA -0.040 4.300 4.340 -0.001 0.000 0.209 446 L C 2.784 179.065 176.870 -0.983 0.000 1.083 446 L CA 1.138 55.535 54.840 -0.738 0.000 0.752 446 L CB -1.059 40.534 42.059 -0.776 0.000 0.899 446 L HN 0.462 nan 8.230 nan 0.000 0.433 447 C N -1.292 117.687 119.300 -0.535 0.000 2.448 447 C HA -0.062 4.398 4.460 -0.001 0.000 0.280 447 C C 2.711 177.689 174.990 -0.020 0.000 1.398 447 C CA 0.322 59.263 59.018 -0.129 0.000 1.774 447 C CB -0.654 27.217 27.740 0.218 0.000 1.888 447 C HN 0.482 nan 8.230 nan 0.000 0.519 448 M N 0.751 120.275 119.600 -0.126 0.000 2.248 448 M HA 0.050 4.529 4.480 -0.001 0.000 0.265 448 M C 2.596 178.829 176.300 -0.111 0.000 1.079 448 M CA 1.551 56.804 55.300 -0.079 0.000 1.150 448 M CB -1.576 30.964 32.600 -0.099 0.000 1.366 448 M HN 0.338 nan 8.290 nan 0.000 0.433 449 A N 0.018 122.706 122.820 -0.218 0.000 1.908 449 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 449 A C 1.872 179.403 177.584 -0.088 0.000 1.181 449 A CA 1.326 53.240 52.037 -0.204 0.000 0.627 449 A CB -1.045 17.775 19.000 -0.299 0.000 0.818 449 A HN 0.601 nan 8.150 nan 0.000 0.445 450 W N -0.145 121.124 121.300 -0.052 0.000 2.465 450 W HA -0.001 4.659 4.660 -0.000 0.000 0.268 450 W C 1.821 178.299 176.519 -0.068 0.000 1.242 450 W CA 0.431 57.745 57.345 -0.052 0.000 1.248 450 W CB -1.042 28.404 29.460 -0.025 0.000 1.118 450 W HN 0.298 nan 8.180 nan 0.000 0.587 451 L N -0.439 120.870 121.223 0.142 0.000 2.265 451 L HA -0.144 4.196 4.340 -0.001 0.000 0.215 451 L C 1.778 178.616 176.870 -0.053 0.000 1.117 451 L CA 0.746 55.614 54.840 0.046 0.000 0.782 451 L CB -0.561 41.506 42.059 0.014 0.000 0.914 451 L HN -0.257 nan 8.230 nan 0.000 0.441 452 V N -1.145 118.713 119.914 -0.094 0.000 3.176 452 V HA 0.091 4.211 4.120 -0.001 0.000 0.332 452 V C 0.651 176.695 176.094 -0.083 0.000 1.414 452 V CA -0.230 61.918 62.300 -0.253 0.000 1.133 452 V CB -0.058 31.554 31.823 -0.352 0.000 1.088 452 V HN 0.247 nan 8.190 nan 0.000 0.473 453 D N -0.376 120.029 120.400 0.008 0.000 2.390 453 D HA -0.057 4.583 4.640 -0.001 0.000 0.236 453 D C 0.923 177.294 176.300 0.117 0.000 1.189 453 D CA 0.404 54.422 54.000 0.030 0.000 0.887 453 D CB 0.767 41.616 40.800 0.081 0.000 1.198 453 D HN 0.533 nan 8.370 nan 0.000 0.444 454 H N 0.113 119.227 119.070 0.073 0.000 2.363 454 H HA 0.010 4.565 4.556 -0.001 0.000 0.301 454 H C 0.503 175.846 175.328 0.025 0.000 1.074 454 H CA 0.067 56.157 56.048 0.069 0.000 1.354 454 H CB 0.395 30.195 29.762 0.064 0.000 1.397 454 H HN 0.054 nan 8.280 nan 0.000 0.516 455 V N 2.023 121.993 119.914 0.094 0.000 2.508 455 V HA -0.147 3.973 4.120 -0.001 0.000 0.281 455 V C 0.877 176.906 176.094 -0.110 0.000 1.041 455 V CA 0.316 62.564 62.300 -0.087 0.000 1.016 455 V CB 0.570 32.234 31.823 -0.266 0.000 0.984 455 V HN 0.356 nan 8.190 nan 0.000 0.478 456 Y N 5.767 125.945 120.300 -0.203 0.000 2.097 456 Y HA -0.270 4.280 4.550 -0.001 0.000 0.282 456 Y C 2.240 178.017 175.900 -0.205 0.000 1.152 456 Y CA 2.315 60.320 58.100 -0.157 0.000 1.136 456 Y CB -0.186 38.188 38.460 -0.143 0.000 0.975 456 Y HN 0.648 nan 8.280 nan 0.000 0.498 457 A N 0.739 123.272 122.820 -0.478 0.000 1.958 457 A HA -0.233 4.086 4.320 -0.001 0.000 0.221 457 A C 2.137 179.490 177.584 -0.385 0.000 1.178 457 A CA 2.081 53.810 52.037 -0.514 0.000 0.642 457 A CB -1.005 17.572 19.000 -0.705 0.000 0.816 457 A HN 0.578 nan 8.150 nan 0.000 0.453 458 I N -0.537 119.843 120.570 -0.317 0.000 2.252 458 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 458 I C 2.576 178.573 176.117 -0.200 0.000 1.102 458 I CA 1.324 62.505 61.300 -0.197 0.000 1.385 458 I CB -1.271 36.661 38.000 -0.114 0.000 1.064 458 I HN 0.377 nan 8.210 nan 0.000 0.414 459 R N 0.431 120.803 120.500 -0.212 0.000 2.083 459 R HA -0.219 4.120 4.340 -0.001 0.000 0.237 459 R C 2.170 178.349 176.300 -0.202 0.000 1.137 459 R CA 1.615 57.627 56.100 -0.146 0.000 0.951 459 R CB -0.383 29.848 30.300 -0.115 0.000 0.851 459 R HN 0.457 nan 8.270 nan 0.000 0.434 460 E N 0.613 120.549 120.200 -0.440 0.000 2.058 460 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 460 E C 1.953 178.431 176.600 -0.203 0.000 0.997 460 E CA 1.300 57.462 56.400 -0.397 0.000 0.801 460 E CB -0.045 29.282 29.700 -0.621 0.000 0.746 460 E HN 0.353 nan 8.360 nan 0.000 0.450 461 A N 1.307 124.010 122.820 -0.196 0.000 1.865 461 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 461 A C 2.439 179.974 177.584 -0.081 0.000 1.191 461 A CA 2.126 54.082 52.037 -0.136 0.000 0.623 461 A CB -0.978 17.917 19.000 -0.174 0.000 0.826 461 A HN 0.433 nan 8.150 nan 0.000 0.444 462 A N -1.201 121.586 122.820 -0.056 0.000 2.019 462 A HA -0.027 4.293 4.320 -0.001 0.000 0.219 462 A C 2.225 179.871 177.584 0.102 0.000 1.164 462 A CA 2.175 54.267 52.037 0.092 0.000 0.644 462 A CB -1.074 18.066 19.000 0.233 0.000 0.805 462 A HN 0.479 nan 8.150 nan 0.000 0.449 463 T N 0.545 115.127 114.554 0.045 0.000 2.668 463 T HA -0.143 4.207 4.350 -0.001 0.000 0.262 463 T C 2.341 177.079 174.700 0.064 0.000 1.045 463 T CA 2.014 64.154 62.100 0.066 0.000 1.152 463 T CB -0.532 68.372 68.868 0.060 0.000 0.864 463 T HN 0.786 nan 8.240 nan 0.000 0.419 464 S N 2.074 117.791 115.700 0.028 0.000 2.447 464 S HA -0.113 4.357 4.470 -0.001 0.000 0.233 464 S C 1.833 176.461 174.600 0.046 0.000 1.006 464 S CA 1.263 59.481 58.200 0.029 0.000 0.957 464 S CB -0.716 62.484 63.200 0.000 0.000 0.773 464 S HN 0.506 nan 8.310 nan 0.000 0.507 465 N N 1.584 120.321 118.700 0.062 0.000 2.309 465 N HA 0.022 4.761 4.740 -0.001 0.000 0.182 465 N C 1.531 177.119 175.510 0.130 0.000 1.018 465 N CA 1.140 54.246 53.050 0.093 0.000 0.876 465 N CB -0.531 38.037 38.487 0.136 0.000 0.972 465 N HN 0.512 nan 8.380 nan 0.000 0.434 466 L N 0.181 121.492 121.223 0.147 0.000 2.056 466 L HA -0.119 4.220 4.340 -0.001 0.000 0.207 466 L C 2.546 179.505 176.870 0.149 0.000 1.078 466 L CA 1.122 56.072 54.840 0.183 0.000 0.749 466 L CB -0.570 41.587 42.059 0.164 0.000 0.901 466 L HN 0.281 nan 8.230 nan 0.000 0.433 467 K N 0.714 121.174 120.400 0.100 0.000 2.063 467 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 467 K C 2.077 178.701 176.600 0.039 0.000 1.048 467 K CA 1.300 57.632 56.287 0.075 0.000 0.928 467 K CB 0.108 32.640 32.500 0.054 0.000 0.713 467 K HN 0.197 nan 8.250 nan 0.000 0.442 468 K N 0.624 121.034 120.400 0.018 0.000 2.211 468 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 468 K C 2.171 178.701 176.600 -0.117 0.000 1.050 468 K CA 0.843 57.107 56.287 -0.038 0.000 0.945 468 K CB -0.080 32.406 32.500 -0.023 0.000 0.732 468 K HN 0.278 nan 8.250 nan 0.000 0.451 469 L N 0.576 121.755 121.223 -0.073 0.000 2.179 469 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 469 L C 2.297 179.038 176.870 -0.216 0.000 1.096 469 L CA 0.436 55.139 54.840 -0.229 0.000 0.779 469 L CB -0.205 41.868 42.059 0.024 0.000 0.922 469 L HN -0.129 nan 8.230 nan 0.000 0.443 470 V N -0.333 119.632 119.914 0.086 0.000 2.548 470 V HA -0.222 3.897 4.120 -0.001 0.000 0.249 470 V C 2.162 178.260 176.094 0.005 0.000 1.055 470 V CA 1.451 63.864 62.300 0.188 0.000 1.065 470 V CB -0.374 31.587 31.823 0.229 0.000 0.681 470 V HN 0.433 nan 8.190 nan 0.000 0.462 471 E N -0.285 119.875 120.200 -0.066 0.000 2.265 471 E HA -0.225 4.125 4.350 -0.001 0.000 0.196 471 E C 2.082 178.561 176.600 -0.202 0.000 0.996 471 E CA 0.868 57.212 56.400 -0.094 0.000 0.832 471 E CB 0.018 29.670 29.700 -0.081 0.000 0.756 471 E HN 0.375 nan 8.360 nan 0.000 0.491 472 K N -0.744 119.409 120.400 -0.412 0.000 2.166 472 K HA 0.040 4.359 4.320 -0.001 0.000 0.201 472 K C 0.856 177.052 176.600 -0.674 0.000 1.052 472 K CA 0.728 56.613 56.287 -0.670 0.000 0.969 472 K CB 0.296 32.102 32.500 -1.156 0.000 0.761 472 K HN 0.038 nan 8.250 nan 0.000 0.459 473 F N -0.862 118.858 119.950 -0.383 0.000 2.724 473 F HA 0.426 4.953 4.527 -0.001 0.000 0.306 473 F C 0.763 176.520 175.800 -0.072 0.000 1.100 473 F CA -0.063 57.690 58.000 -0.412 0.000 1.255 473 F CB 0.445 38.748 39.000 -1.161 0.000 1.072 473 F HN 0.014 nan 8.300 nan 0.000 0.589 474 G N 1.308 110.214 108.800 0.176 0.000 2.662 474 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.686 474 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.686 474 G C 0.708 175.779 174.900 0.284 0.000 1.271 474 G CA -0.309 44.912 45.100 0.201 0.000 0.816 474 G HN 0.361 nan 8.290 nan 0.000 0.608 475 K N -0.246 120.268 120.400 0.190 0.000 2.209 475 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 475 K C 1.611 178.318 176.600 0.178 0.000 1.048 475 K CA 1.936 58.326 56.287 0.172 0.000 0.940 475 K CB 0.029 32.596 32.500 0.111 0.000 0.729 475 K HN 0.367 nan 8.250 nan 0.000 0.451 476 E N 0.963 121.271 120.200 0.180 0.000 2.028 476 E HA -0.167 4.183 4.350 -0.001 0.000 0.190 476 E C 1.612 178.338 176.600 0.211 0.000 0.984 476 E CA 1.074 57.571 56.400 0.161 0.000 0.800 476 E CB -0.498 29.282 29.700 0.133 0.000 0.758 476 E HN 0.569 nan 8.360 nan 0.000 0.448 477 W N 1.967 123.318 121.300 0.084 0.000 2.325 477 W HA -0.240 4.420 4.660 -0.001 0.000 0.299 477 W C 2.197 178.767 176.519 0.084 0.000 1.215 477 W CA 2.553 59.943 57.345 0.076 0.000 1.244 477 W CB -0.259 29.266 29.460 0.108 0.000 1.140 477 W HN 0.068 nan 8.180 nan 0.000 0.523 478 A N -0.465 122.422 122.820 0.112 0.000 1.841 478 A HA -0.305 4.015 4.320 -0.001 0.000 0.214 478 A C 2.136 179.622 177.584 -0.164 0.000 1.195 478 A CA 1.817 53.788 52.037 -0.110 0.000 0.611 478 A CB -1.759 17.319 19.000 0.131 0.000 0.835 478 A HN 0.615 nan 8.150 nan 0.000 0.443 479 H N -0.153 118.841 119.070 -0.127 0.000 2.518 479 H HA -0.018 4.538 4.556 -0.001 0.000 0.292 479 H C 1.830 177.022 175.328 -0.227 0.000 1.068 479 H CA 1.537 57.476 56.048 -0.181 0.000 1.275 479 H CB 0.054 29.704 29.762 -0.186 0.000 1.375 479 H HN 0.425 nan 8.280 nan 0.000 0.563 480 A N -0.716 121.948 122.820 -0.261 0.000 1.963 480 A HA 0.059 4.378 4.320 -0.001 0.000 0.207 480 A C 2.394 179.762 177.584 -0.359 0.000 1.243 480 A CA 0.723 52.582 52.037 -0.297 0.000 0.728 480 A CB -0.187 18.730 19.000 -0.137 0.000 0.895 480 A HN 0.383 nan 8.150 nan 0.000 0.467 481 T N -0.606 113.624 114.554 -0.539 0.000 3.044 481 T HA 0.298 4.647 4.350 -0.001 0.000 0.255 481 T C 1.471 175.862 174.700 -0.515 0.000 1.073 481 T CA 0.877 62.619 62.100 -0.596 0.000 1.125 481 T CB 0.020 68.291 68.868 -0.994 0.000 0.908 481 T HN 0.299 nan 8.240 nan 0.000 0.480 482 I N -0.406 119.845 120.570 -0.531 0.000 4.033 482 I HA 0.211 4.381 4.170 -0.001 0.000 0.296 482 I C 1.755 177.757 176.117 -0.191 0.000 1.210 482 I CA 0.223 61.331 61.300 -0.321 0.000 1.341 482 I CB 0.314 38.123 38.000 -0.319 0.000 1.369 482 I HN 0.095 nan 8.210 nan 0.000 0.453 483 I N 2.172 122.629 120.570 -0.188 0.000 2.264 483 I HA -0.193 3.977 4.170 -0.001 0.000 0.248 483 I C -0.533 175.509 176.117 -0.125 0.000 1.111 483 I CA 1.765 62.995 61.300 -0.117 0.000 1.382 483 I CB -1.749 36.195 38.000 -0.092 0.000 1.060 483 I HN 0.152 nan 8.210 nan 0.000 0.418 484 P HA -0.162 nan 4.420 nan 0.000 0.215 484 P C 1.471 178.708 177.300 -0.106 0.000 1.157 484 P CA 1.557 64.567 63.100 -0.150 0.000 0.868 484 P CB -0.007 31.580 31.700 -0.189 0.000 0.788 485 K N -0.897 119.436 120.400 -0.111 0.000 2.155 485 K HA -0.016 4.303 4.320 -0.001 0.000 0.203 485 K C 1.949 178.510 176.600 -0.064 0.000 1.052 485 K CA 0.778 57.014 56.287 -0.086 0.000 0.948 485 K CB -0.657 31.788 32.500 -0.092 0.000 0.728 485 K HN -0.017 nan 8.250 nan 0.000 0.448 486 V N 1.850 121.728 119.914 -0.059 0.000 2.358 486 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 486 V C 2.102 178.175 176.094 -0.034 0.000 1.047 486 V CA 1.534 63.812 62.300 -0.037 0.000 1.035 486 V CB -0.286 31.525 31.823 -0.020 0.000 0.658 486 V HN 0.281 nan 8.190 nan 0.000 0.452 487 L N 0.019 121.221 121.223 -0.035 0.000 2.141 487 L HA -0.102 4.238 4.340 -0.001 0.000 0.209 487 L C 2.636 179.489 176.870 -0.027 0.000 1.094 487 L CA 1.241 56.065 54.840 -0.026 0.000 0.763 487 L CB -0.753 41.294 42.059 -0.019 0.000 0.908 487 L HN 0.363 nan 8.230 nan 0.000 0.437 488 A N -0.165 122.634 122.820 -0.034 0.000 2.076 488 A HA -0.207 4.113 4.320 -0.001 0.000 0.220 488 A C 2.223 179.796 177.584 -0.019 0.000 1.160 488 A CA 1.477 53.496 52.037 -0.029 0.000 0.653 488 A CB -0.484 18.494 19.000 -0.037 0.000 0.801 488 A HN 0.417 nan 8.150 nan 0.000 0.455 489 M N 0.323 119.911 119.600 -0.021 0.000 2.562 489 M HA -0.079 4.401 4.480 -0.001 0.000 0.257 489 M C 2.092 178.392 176.300 0.001 0.000 1.099 489 M CA 1.156 56.452 55.300 -0.006 0.000 1.099 489 M CB -0.267 32.319 32.600 -0.022 0.000 1.427 489 M HN 0.605 nan 8.290 nan 0.000 0.489 490 S N -0.059 115.633 115.700 -0.015 0.000 2.447 490 S HA -0.049 4.420 4.470 -0.001 0.000 0.233 490 S C 1.837 176.432 174.600 -0.008 0.000 1.006 490 S CA 1.056 59.245 58.200 -0.019 0.000 0.957 490 S CB -0.858 62.326 63.200 -0.025 0.000 0.773 490 S HN 0.561 nan 8.310 nan 0.000 0.507 491 G N 0.803 109.602 108.800 -0.001 0.000 2.880 491 G HA2 0.044 4.004 3.960 -0.001 0.000 0.209 491 G HA3 0.044 4.004 3.960 -0.001 0.000 0.209 491 G C 0.180 175.088 174.900 0.013 0.000 1.157 491 G CA -0.227 44.874 45.100 0.002 0.000 0.779 491 G HN 0.463 nan 8.290 nan 0.000 0.539 492 D N 1.219 121.637 120.400 0.030 0.000 2.458 492 D HA 0.037 4.677 4.640 -0.001 0.000 0.243 492 D C -0.765 175.548 176.300 0.023 0.000 1.146 492 D CA -1.324 52.708 54.000 0.054 0.000 0.877 492 D CB 2.051 42.929 40.800 0.131 0.000 1.176 492 D HN 0.081 nan 8.370 nan 0.000 0.461 493 P HA -0.129 nan 4.420 nan 0.000 0.220 493 P C 0.441 177.724 177.300 -0.027 0.000 1.148 493 P CA 0.378 63.471 63.100 -0.013 0.000 0.803 493 P CB 0.297 31.988 31.700 -0.015 0.000 0.782 494 N N 0.479 119.132 118.700 -0.079 0.000 2.430 494 N HA -0.041 4.699 4.740 -0.001 0.000 0.265 494 N C 1.063 176.577 175.510 0.006 0.000 1.100 494 N CA -0.378 52.604 53.050 -0.113 0.000 0.961 494 N CB 0.331 38.540 38.487 -0.463 0.000 1.075 494 N HN 0.010 nan 8.380 nan 0.000 0.478 495 Y N 4.039 124.266 120.300 -0.122 0.000 2.403 495 Y HA -0.021 4.528 4.550 -0.001 0.000 0.291 495 Y C 1.413 177.268 175.900 -0.076 0.000 1.143 495 Y CA 0.989 59.031 58.100 -0.097 0.000 1.257 495 Y CB -0.543 37.862 38.460 -0.092 0.000 0.984 495 Y HN 0.517 nan 8.280 nan 0.000 0.550 496 L N -0.118 120.892 121.223 -0.355 0.000 2.141 496 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 496 L C 2.359 179.228 176.870 -0.001 0.000 1.094 496 L CA 1.686 56.318 54.840 -0.347 0.000 0.763 496 L CB -0.680 41.284 42.059 -0.157 0.000 0.908 496 L HN 0.418 nan 8.230 nan 0.000 0.437 497 H N -0.840 118.172 119.070 -0.097 0.000 2.384 497 H HA 0.027 4.583 4.556 -0.001 0.000 0.300 497 H C 2.313 177.571 175.328 -0.116 0.000 1.057 497 H CA 0.251 56.257 56.048 -0.069 0.000 1.370 497 H CB 0.289 30.038 29.762 -0.021 0.000 1.417 497 H HN 0.212 nan 8.280 nan 0.000 0.527 498 R N 0.526 121.034 120.500 0.014 0.000 2.096 498 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 498 R C 2.234 178.408 176.300 -0.211 0.000 1.127 498 R CA 1.267 57.325 56.100 -0.069 0.000 0.968 498 R CB -0.139 30.134 30.300 -0.045 0.000 0.861 498 R HN 0.349 nan 8.270 nan 0.000 0.440 499 M N -0.261 119.143 119.600 -0.326 0.000 2.175 499 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 499 M C 2.107 177.836 176.300 -0.952 0.000 1.063 499 M CA 1.535 56.425 55.300 -0.684 0.000 1.119 499 M CB -0.333 31.844 32.600 -0.706 0.000 1.377 499 M HN 0.092 nan 8.290 nan 0.000 0.415 500 T N 0.245 114.523 114.554 -0.459 0.000 2.778 500 T HA -0.159 4.190 4.350 -0.001 0.000 0.269 500 T C 1.735 176.340 174.700 -0.158 0.000 1.050 500 T CA 1.896 63.885 62.100 -0.186 0.000 1.137 500 T CB -0.322 68.534 68.868 -0.020 0.000 0.860 500 T HN 0.424 nan 8.240 nan 0.000 0.468 501 T N 1.982 116.429 114.554 -0.178 0.000 2.708 501 T HA 0.035 4.385 4.350 -0.001 0.000 0.266 501 T C 1.920 176.555 174.700 -0.107 0.000 1.037 501 T CA 0.925 62.962 62.100 -0.106 0.000 1.146 501 T CB -0.389 68.426 68.868 -0.089 0.000 0.865 501 T HN 0.285 nan 8.240 nan 0.000 0.435 502 L N -0.031 121.064 121.223 -0.213 0.000 2.131 502 L HA -0.048 4.292 4.340 -0.001 0.000 0.210 502 L C 2.289 179.170 176.870 0.019 0.000 1.092 502 L CA 0.974 55.732 54.840 -0.137 0.000 0.759 502 L CB -0.569 41.362 42.059 -0.215 0.000 0.903 502 L HN 0.217 nan 8.230 nan 0.000 0.435 503 F N -0.624 119.326 119.950 -0.001 0.000 2.186 503 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 503 F C 2.584 178.391 175.800 0.013 0.000 1.090 503 F CA 0.353 58.359 58.000 0.009 0.000 1.307 503 F CB -1.505 37.502 39.000 0.012 0.000 1.019 503 F HN 0.123 nan 8.300 nan 0.000 0.489 504 C N 0.017 119.420 119.300 0.172 0.000 2.450 504 C HA -0.053 4.406 4.460 -0.001 0.000 0.279 504 C C 2.891 177.934 174.990 0.090 0.000 1.335 504 C CA 0.268 59.353 59.018 0.112 0.000 1.749 504 C CB -1.171 26.612 27.740 0.071 0.000 1.963 504 C HN 0.368 nan 8.230 nan 0.000 0.501 505 I N 1.487 122.102 120.570 0.075 0.000 2.353 505 I HA -0.134 4.035 4.170 -0.001 0.000 0.248 505 I C 2.103 178.268 176.117 0.080 0.000 1.119 505 I CA 1.115 62.454 61.300 0.065 0.000 1.417 505 I CB -0.628 37.398 38.000 0.042 0.000 1.078 505 I HN 0.373 nan 8.210 nan 0.000 0.421 506 N N 0.963 119.725 118.700 0.104 0.000 2.069 506 N HA -0.143 4.596 4.740 -0.001 0.000 0.191 506 N C 1.953 177.513 175.510 0.084 0.000 1.031 506 N CA 1.193 54.304 53.050 0.103 0.000 0.852 506 N CB -0.583 37.987 38.487 0.138 0.000 1.018 506 N HN 0.151 nan 8.380 nan 0.000 0.423 507 V N 1.474 121.441 119.914 0.089 0.000 2.379 507 V HA -0.086 4.033 4.120 -0.001 0.000 0.245 507 V C 2.219 178.356 176.094 0.072 0.000 1.044 507 V CA 1.009 63.352 62.300 0.072 0.000 1.036 507 V CB -0.360 31.506 31.823 0.072 0.000 0.664 507 V HN 0.239 nan 8.190 nan 0.000 0.453 508 L N 0.712 121.982 121.223 0.079 0.000 2.456 508 L HA -0.084 4.256 4.340 -0.001 0.000 0.224 508 L C 2.499 179.415 176.870 0.077 0.000 1.148 508 L CA 1.331 56.219 54.840 0.082 0.000 0.825 508 L CB -0.550 41.559 42.059 0.083 0.000 0.937 508 L HN 0.533 nan 8.230 nan 0.000 0.450 509 S N -1.222 114.520 115.700 0.069 0.000 2.461 509 S HA -0.118 4.351 4.470 -0.001 0.000 0.228 509 S C 1.614 176.249 174.600 0.057 0.000 1.005 509 S CA 0.407 58.645 58.200 0.063 0.000 0.942 509 S CB -0.115 63.120 63.200 0.058 0.000 0.776 509 S HN 0.450 nan 8.310 nan 0.000 0.514 510 E N 0.858 121.091 120.200 0.056 0.000 2.204 510 E HA -0.054 4.295 4.350 -0.001 0.000 0.195 510 E C 1.397 178.026 176.600 0.048 0.000 0.990 510 E CA 1.415 57.843 56.400 0.048 0.000 0.821 510 E CB 0.039 29.765 29.700 0.044 0.000 0.750 510 E HN 0.679 nan 8.360 nan 0.000 0.477 511 V N -3.810 116.138 119.914 0.058 0.000 3.199 511 V HA 0.239 4.359 4.120 -0.001 0.000 0.331 511 V C 0.758 176.897 176.094 0.075 0.000 1.446 511 V CA -0.458 61.878 62.300 0.060 0.000 1.120 511 V CB -0.003 31.856 31.823 0.060 0.000 1.051 511 V HN 0.144 nan 8.190 nan 0.000 0.495 512 C N 1.480 120.826 119.300 0.077 0.000 3.065 512 C HA 0.723 5.182 4.460 -0.001 0.000 0.285 512 C C 1.540 176.575 174.990 0.075 0.000 1.257 512 C CA 0.447 59.518 59.018 0.088 0.000 1.691 512 C CB -0.885 26.915 27.740 0.100 0.000 2.089 512 C HN 1.292 nan 8.230 nan 0.000 0.630 513 G N 0.612 109.448 108.800 0.061 0.000 2.733 513 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.686 513 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.686 513 G C 0.331 175.259 174.900 0.046 0.000 1.373 513 G CA 0.229 45.359 45.100 0.049 0.000 0.838 513 G HN 0.359 nan 8.290 nan 0.000 0.588 514 Q N -0.070 119.752 119.800 0.035 0.000 2.112 514 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 514 Q C 1.957 177.973 176.000 0.027 0.000 0.987 514 Q CA 2.643 58.464 55.803 0.029 0.000 0.858 514 Q CB -0.180 28.571 28.738 0.021 0.000 0.905 514 Q HN 0.724 nan 8.270 nan 0.000 0.420 515 D N 0.017 120.433 120.400 0.027 0.000 2.081 515 D HA -0.164 4.476 4.640 -0.001 0.000 0.194 515 D C 1.872 178.199 176.300 0.045 0.000 0.986 515 D CA 1.919 55.932 54.000 0.022 0.000 0.837 515 D CB -0.256 40.554 40.800 0.016 0.000 0.985 515 D HN 0.345 nan 8.370 nan 0.000 0.448 516 I N 0.172 120.793 120.570 0.085 0.000 2.300 516 I HA -0.307 3.863 4.170 -0.001 0.000 0.252 516 I C 2.173 178.392 176.117 0.170 0.000 1.119 516 I CA 1.211 62.625 61.300 0.190 0.000 1.384 516 I CB -0.441 37.651 38.000 0.153 0.000 1.062 516 I HN 0.170 nan 8.210 nan 0.000 0.426 517 T N -0.106 114.504 114.554 0.093 0.000 2.732 517 T HA -0.128 4.222 4.350 -0.001 0.000 0.261 517 T C 1.923 176.643 174.700 0.034 0.000 1.040 517 T CA 2.001 64.143 62.100 0.070 0.000 1.145 517 T CB -0.374 68.526 68.868 0.054 0.000 0.866 517 T HN 0.373 nan 8.240 nan 0.000 0.427 518 T N 2.409 116.969 114.554 0.009 0.000 2.684 518 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 518 T C 2.014 176.668 174.700 -0.076 0.000 1.036 518 T CA 1.108 63.195 62.100 -0.022 0.000 1.148 518 T CB -0.157 68.698 68.868 -0.021 0.000 0.863 518 T HN 0.353 nan 8.240 nan 0.000 0.436 519 K N 0.143 120.455 120.400 -0.146 0.000 2.031 519 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 519 K C 1.936 178.217 176.600 -0.532 0.000 1.049 519 K CA 1.298 57.357 56.287 -0.380 0.000 0.939 519 K CB -0.142 32.001 32.500 -0.595 0.000 0.717 519 K HN 0.525 nan 8.250 nan 0.000 0.438 520 H N -1.417 117.694 119.070 0.068 0.000 2.652 520 H HA 0.248 4.804 4.556 -0.001 0.000 0.274 520 H C 1.304 176.660 175.328 0.047 0.000 1.021 520 H CA 0.158 56.254 56.048 0.081 0.000 1.187 520 H CB 0.567 30.431 29.762 0.172 0.000 1.505 520 H HN 0.046 nan 8.280 nan 0.000 0.530 521 M N -1.044 118.609 119.600 0.089 0.000 2.724 521 M HA 0.076 4.556 4.480 -0.001 0.000 0.231 521 M C 1.491 177.808 176.300 0.029 0.000 1.568 521 M CA 0.171 55.509 55.300 0.064 0.000 1.153 521 M CB 0.224 32.868 32.600 0.072 0.000 1.345 521 M HN 0.185 nan 8.290 nan 0.000 0.555 522 L N 2.533 123.767 121.223 0.018 0.000 2.051 522 L HA -0.095 4.245 4.340 -0.001 0.000 0.214 522 L C -1.001 175.869 176.870 0.000 0.000 1.076 522 L CA 2.525 57.370 54.840 0.008 0.000 0.758 522 L CB -1.525 40.534 42.059 0.001 0.000 0.890 522 L HN 0.026 nan 8.230 nan 0.000 0.433 523 P HA -0.120 nan 4.420 nan 0.000 0.214 523 P C 1.659 178.957 177.300 -0.003 0.000 1.163 523 P CA 2.115 65.209 63.100 -0.010 0.000 0.883 523 P CB -0.204 31.485 31.700 -0.018 0.000 0.788 524 T N -0.700 113.854 114.554 0.001 0.000 2.803 524 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 524 T C 1.786 176.481 174.700 -0.008 0.000 1.052 524 T CA 1.221 63.320 62.100 -0.002 0.000 1.136 524 T CB -0.990 67.879 68.868 0.001 0.000 0.864 524 T HN -0.114 nan 8.240 nan 0.000 0.467 525 V N 1.308 121.220 119.914 -0.003 0.000 2.270 525 V HA -0.081 4.038 4.120 -0.001 0.000 0.245 525 V C 2.452 178.543 176.094 -0.005 0.000 1.043 525 V CA 1.437 63.733 62.300 -0.006 0.000 1.014 525 V CB -0.636 31.190 31.823 0.006 0.000 0.645 525 V HN 0.431 nan 8.190 nan 0.000 0.447 526 L N -0.261 120.962 121.223 0.000 0.000 2.201 526 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 526 L C 2.668 179.537 176.870 -0.001 0.000 1.105 526 L CA 1.474 56.316 54.840 0.002 0.000 0.775 526 L CB -0.511 41.550 42.059 0.003 0.000 0.913 526 L HN 0.273 nan 8.230 nan 0.000 0.440 527 R N 0.427 120.924 120.500 -0.005 0.000 2.148 527 R HA -0.084 4.256 4.340 -0.001 0.000 0.227 527 R C 1.960 178.254 176.300 -0.009 0.000 1.103 527 R CA 1.058 57.155 56.100 -0.006 0.000 0.983 527 R CB -0.027 30.268 30.300 -0.007 0.000 0.874 527 R HN 0.296 nan 8.270 nan 0.000 0.451 528 M N -0.249 119.342 119.600 -0.015 0.000 2.563 528 M HA 0.161 4.641 4.480 -0.001 0.000 0.231 528 M C 1.606 177.896 176.300 -0.018 0.000 1.136 528 M CA 0.268 55.554 55.300 -0.023 0.000 1.026 528 M CB 0.684 33.260 32.600 -0.040 0.000 1.597 528 M HN 0.197 nan 8.290 nan 0.000 0.495 529 A N 0.498 123.315 122.820 -0.005 0.000 2.178 529 A HA 0.061 4.380 4.320 -0.001 0.000 0.218 529 A C 1.842 179.431 177.584 0.009 0.000 1.157 529 A CA 1.408 53.449 52.037 0.006 0.000 0.689 529 A CB -0.722 18.287 19.000 0.015 0.000 0.787 529 A HN 0.554 nan 8.150 nan 0.000 0.465 530 G N -0.879 107.922 108.800 0.001 0.000 3.899 530 G HA2 0.218 4.178 3.960 -0.001 0.000 0.293 530 G HA3 0.218 4.178 3.960 -0.001 0.000 0.293 530 G C -0.166 174.732 174.900 -0.004 0.000 1.054 530 G CA -0.078 45.024 45.100 0.003 0.000 0.846 530 G HN 0.401 nan 8.290 nan 0.000 0.525 531 D N 1.496 121.890 120.400 -0.011 0.000 2.443 531 D HA 0.050 4.690 4.640 -0.001 0.000 0.239 531 D C -0.698 175.593 176.300 -0.014 0.000 1.136 531 D CA -1.219 52.770 54.000 -0.017 0.000 0.879 531 D CB 2.314 43.096 40.800 -0.031 0.000 1.195 531 D HN 0.047 nan 8.370 nan 0.000 0.443 532 P HA -0.097 nan 4.420 nan 0.000 0.219 532 P C 0.472 177.755 177.300 -0.029 0.000 1.146 532 P CA 0.495 63.583 63.100 -0.020 0.000 0.808 532 P CB 0.282 31.966 31.700 -0.025 0.000 0.779 533 V N 0.681 120.573 119.914 -0.036 0.000 2.407 533 V HA 0.350 4.470 4.120 -0.001 0.000 0.278 533 V C 1.866 177.944 176.094 -0.027 0.000 1.037 533 V CA 0.072 62.340 62.300 -0.053 0.000 0.900 533 V CB 0.795 32.567 31.823 -0.086 0.000 0.983 533 V HN 0.013 nan 8.190 nan 0.000 0.459 534 A N 4.107 126.932 122.820 0.008 0.000 1.948 534 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 534 A C 1.891 179.472 177.584 -0.006 0.000 1.177 534 A CA 2.321 54.405 52.037 0.077 0.000 0.636 534 A CB -0.663 18.435 19.000 0.162 0.000 0.815 534 A HN 0.866 nan 8.150 nan 0.000 0.449 535 N N -0.057 118.596 118.700 -0.079 0.000 2.149 535 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 535 N C 1.434 176.503 175.510 -0.736 0.000 1.019 535 N CA 1.518 54.270 53.050 -0.495 0.000 0.857 535 N CB -0.517 37.994 38.487 0.040 0.000 0.997 535 N HN 0.277 nan 8.380 nan 0.000 0.426 536 V N 1.034 120.768 119.914 -0.300 0.000 2.379 536 V HA -0.135 3.984 4.120 -0.001 0.000 0.245 536 V C 2.250 178.193 176.094 -0.253 0.000 1.044 536 V CA 1.382 63.524 62.300 -0.264 0.000 1.036 536 V CB -0.349 31.399 31.823 -0.124 0.000 0.664 536 V HN 0.272 nan 8.190 nan 0.000 0.453 537 R N 0.226 120.628 120.500 -0.163 0.000 2.080 537 R HA -0.207 4.133 4.340 -0.001 0.000 0.236 537 R C 2.374 178.676 176.300 0.002 0.000 1.137 537 R CA 2.284 58.355 56.100 -0.048 0.000 0.943 537 R CB -0.771 29.550 30.300 0.036 0.000 0.846 537 R HN 0.701 nan 8.270 nan 0.000 0.431 538 F N 0.754 120.739 119.950 0.060 0.000 2.234 538 F HA 0.004 4.530 4.527 -0.001 0.000 0.299 538 F C 1.597 177.367 175.800 -0.049 0.000 1.087 538 F CA 0.668 58.708 58.000 0.068 0.000 1.340 538 F CB -0.797 38.305 39.000 0.170 0.000 1.031 538 F HN -0.116 nan 8.300 nan 0.000 0.500 539 N N 0.996 119.484 118.700 -0.355 0.000 2.453 539 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 539 N C 1.892 177.372 175.510 -0.051 0.000 1.041 539 N CA 0.909 53.861 53.050 -0.162 0.000 0.900 539 N CB 0.060 38.378 38.487 -0.282 0.000 0.961 539 N HN 0.312 nan 8.380 nan 0.000 0.443 540 V N 1.108 120.994 119.914 -0.047 0.000 2.407 540 V HA -0.118 4.002 4.120 -0.001 0.000 0.245 540 V C 2.395 178.517 176.094 0.046 0.000 1.041 540 V CA 1.536 63.831 62.300 -0.008 0.000 1.040 540 V CB -0.578 31.237 31.823 -0.013 0.000 0.671 540 V HN 0.226 nan 8.190 nan 0.000 0.455 541 A N 0.057 122.933 122.820 0.093 0.000 1.873 541 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 541 A C 2.246 179.901 177.584 0.119 0.000 1.193 541 A CA 2.310 54.423 52.037 0.127 0.000 0.629 541 A CB -0.550 18.578 19.000 0.213 0.000 0.826 541 A HN 0.531 nan 8.150 nan 0.000 0.447 542 K N -0.295 120.179 120.400 0.123 0.000 2.074 542 K HA -0.125 4.195 4.320 -0.001 0.000 0.209 542 K C 2.386 179.041 176.600 0.092 0.000 1.048 542 K CA 1.610 57.961 56.287 0.106 0.000 0.926 542 K CB -0.287 32.249 32.500 0.060 0.000 0.713 542 K HN 0.417 nan 8.250 nan 0.000 0.444 543 S N 1.256 117.002 115.700 0.078 0.000 2.382 543 S HA -0.058 4.412 4.470 -0.001 0.000 0.228 543 S C 1.873 176.510 174.600 0.061 0.000 1.027 543 S CA 0.949 59.192 58.200 0.072 0.000 0.991 543 S CB -0.150 63.081 63.200 0.051 0.000 0.823 543 S HN 0.199 nan 8.310 nan 0.000 0.469 544 L N 1.107 122.363 121.223 0.056 0.000 2.093 544 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 544 L C 2.745 179.646 176.870 0.052 0.000 1.085 544 L CA 1.191 56.060 54.840 0.048 0.000 0.755 544 L CB -0.491 41.595 42.059 0.044 0.000 0.904 544 L HN 0.388 nan 8.230 nan 0.000 0.435 545 Q N 0.567 120.405 119.800 0.064 0.000 2.167 545 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 545 Q C 2.124 178.160 176.000 0.059 0.000 0.970 545 Q CA 1.559 57.400 55.803 0.062 0.000 0.855 545 Q CB 0.193 28.979 28.738 0.080 0.000 0.911 545 Q HN 0.183 nan 8.270 nan 0.000 0.438 546 K N 0.991 121.429 120.400 0.064 0.000 2.007 546 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 546 K C 1.891 178.522 176.600 0.052 0.000 1.047 546 K CA 1.651 57.974 56.287 0.061 0.000 0.937 546 K CB -0.312 32.230 32.500 0.071 0.000 0.718 546 K HN 0.472 nan 8.250 nan 0.000 0.438 547 I N -2.620 117.980 120.570 0.051 0.000 3.419 547 I HA 0.250 4.420 4.170 -0.001 0.000 0.286 547 I C 1.758 177.898 176.117 0.037 0.000 1.268 547 I CA 0.711 62.038 61.300 0.045 0.000 1.414 547 I CB -0.445 37.583 38.000 0.045 0.000 1.074 547 I HN 0.109 nan 8.210 nan 0.000 0.457 548 G N 2.810 111.632 108.800 0.037 0.000 2.505 548 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.220 548 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.220 548 G C -0.500 174.417 174.900 0.027 0.000 1.145 548 G CA 1.160 46.278 45.100 0.030 0.000 0.761 548 G HN 0.414 nan 8.290 nan 0.000 0.571 549 P HA 0.057 nan 4.420 nan 0.000 0.225 549 P C 1.569 178.884 177.300 0.025 0.000 1.148 549 P CA 0.604 63.719 63.100 0.026 0.000 0.779 549 P CB 0.025 31.742 31.700 0.027 0.000 0.780 550 I N -2.209 118.377 120.570 0.027 0.000 2.852 550 I HA -0.016 4.154 4.170 -0.001 0.000 0.264 550 I C 0.958 177.089 176.117 0.023 0.000 1.179 550 I CA 0.114 61.431 61.300 0.027 0.000 1.480 550 I CB -0.176 37.844 38.000 0.033 0.000 1.111 550 I HN -0.155 nan 8.210 nan 0.000 0.441 551 L N 1.857 123.092 121.223 0.021 0.000 2.439 551 L HA 0.087 4.426 4.340 -0.001 0.000 0.269 551 L C 0.085 176.963 176.870 0.013 0.000 1.179 551 L CA -0.574 54.276 54.840 0.016 0.000 0.828 551 L CB 0.096 42.164 42.059 0.015 0.000 1.106 551 L HN 0.187 nan 8.230 nan 0.000 0.467 552 D N 0.504 120.910 120.400 0.010 0.000 2.371 552 D HA -0.050 4.590 4.640 -0.001 0.000 0.242 552 D C 0.682 176.987 176.300 0.008 0.000 1.218 552 D CA -0.438 53.567 54.000 0.009 0.000 0.945 552 D CB 0.484 41.288 40.800 0.007 0.000 1.137 552 D HN 0.449 nan 8.370 nan 0.000 0.464 553 N N -0.185 118.520 118.700 0.008 0.000 2.166 553 N HA -0.231 4.508 4.740 -0.001 0.000 0.186 553 N C 1.637 177.151 175.510 0.006 0.000 1.019 553 N CA 1.548 54.602 53.050 0.008 0.000 0.856 553 N CB -0.253 38.239 38.487 0.007 0.000 0.993 553 N HN 0.422 nan 8.380 nan 0.000 0.426 554 S N -1.442 114.261 115.700 0.005 0.000 2.383 554 S HA -0.125 4.344 4.470 -0.001 0.000 0.229 554 S C 1.712 176.313 174.600 0.002 0.000 1.030 554 S CA 1.929 60.131 58.200 0.003 0.000 1.002 554 S CB -0.662 62.539 63.200 0.002 0.000 0.829 554 S HN 0.487 nan 8.310 nan 0.000 0.467 555 T N 2.562 117.117 114.554 0.002 0.000 2.701 555 T HA 0.074 4.424 4.350 -0.001 0.000 0.263 555 T C 1.756 176.459 174.700 0.005 0.000 1.040 555 T CA 1.185 63.286 62.100 0.002 0.000 1.147 555 T CB -0.517 68.351 68.868 0.001 0.000 0.865 555 T HN 0.296 nan 8.240 nan 0.000 0.426 556 L N 0.858 122.085 121.223 0.007 0.000 2.189 556 L HA -0.183 4.156 4.340 -0.001 0.000 0.214 556 L C 2.823 179.698 176.870 0.009 0.000 1.097 556 L CA 1.298 56.144 54.840 0.010 0.000 0.764 556 L CB -0.287 41.779 42.059 0.011 0.000 0.900 556 L HN 0.318 nan 8.230 nan 0.000 0.436 557 Q N -1.418 118.386 119.800 0.007 0.000 2.259 557 Q HA -0.047 4.293 4.340 -0.001 0.000 0.201 557 Q C 2.408 178.411 176.000 0.005 0.000 0.938 557 Q CA 1.438 57.244 55.803 0.006 0.000 0.872 557 Q CB 0.247 28.988 28.738 0.005 0.000 0.971 557 Q HN 0.580 nan 8.270 nan 0.000 0.494 558 S N 0.036 115.738 115.700 0.004 0.000 2.406 558 S HA 0.005 4.474 4.470 -0.001 0.000 0.224 558 S C 1.575 176.176 174.600 0.003 0.000 1.030 558 S CA 0.791 58.992 58.200 0.003 0.000 0.958 558 S CB 0.033 63.233 63.200 0.001 0.000 0.811 558 S HN 0.282 nan 8.310 nan 0.000 0.489 559 E N 0.060 120.262 120.200 0.003 0.000 2.399 559 E HA 0.213 4.563 4.350 -0.001 0.000 0.205 559 E C 1.787 178.391 176.600 0.007 0.000 0.906 559 E CA 0.299 56.701 56.400 0.003 0.000 0.998 559 E CB 0.445 30.145 29.700 0.000 0.000 1.002 559 E HN 0.313 nan 8.360 nan 0.000 0.501 560 V N 1.652 121.572 119.914 0.009 0.000 2.341 560 V HA -0.139 3.980 4.120 -0.001 0.000 0.240 560 V C 2.294 178.396 176.094 0.015 0.000 1.035 560 V CA 1.416 63.725 62.300 0.014 0.000 1.033 560 V CB -0.292 31.540 31.823 0.016 0.000 0.678 560 V HN 0.101 nan 8.190 nan 0.000 0.464 561 K N 0.475 120.882 120.400 0.012 0.000 2.077 561 K HA -0.258 4.062 4.320 -0.001 0.000 0.213 561 K C -0.197 176.410 176.600 0.012 0.000 1.051 561 K CA 2.457 58.751 56.287 0.012 0.000 0.929 561 K CB -1.165 31.341 32.500 0.009 0.000 0.715 561 K HN 0.383 nan 8.250 nan 0.000 0.451 562 P HA -0.186 nan 4.420 nan 0.000 0.214 562 P C 1.373 178.681 177.300 0.014 0.000 1.163 562 P CA 1.139 64.246 63.100 0.011 0.000 0.883 562 P CB -0.002 31.703 31.700 0.009 0.000 0.788 563 I N -1.160 119.420 120.570 0.015 0.000 2.163 563 I HA -0.221 3.949 4.170 -0.001 0.000 0.243 563 I C 2.376 178.509 176.117 0.027 0.000 1.085 563 I CA 1.726 63.038 61.300 0.019 0.000 1.347 563 I CB -1.462 36.549 38.000 0.018 0.000 1.044 563 I HN -0.024 nan 8.210 nan 0.000 0.408 564 L N 0.165 121.405 121.223 0.028 0.000 1.989 564 L HA -0.244 4.096 4.340 -0.001 0.000 0.211 564 L C 2.510 179.397 176.870 0.029 0.000 1.071 564 L CA 1.519 56.380 54.840 0.034 0.000 0.749 564 L CB -0.691 41.386 42.059 0.030 0.000 0.890 564 L HN 0.249 nan 8.230 nan 0.000 0.431 565 E N 0.006 120.218 120.200 0.021 0.000 2.114 565 E HA -0.308 4.041 4.350 -0.001 0.000 0.199 565 E C 2.219 178.832 176.600 0.021 0.000 1.008 565 E CA 1.652 58.062 56.400 0.017 0.000 0.810 565 E CB -0.045 29.662 29.700 0.012 0.000 0.739 565 E HN 0.287 nan 8.360 nan 0.000 0.456 566 K N 0.791 121.204 120.400 0.022 0.000 2.026 566 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 566 K C 2.154 178.775 176.600 0.033 0.000 1.048 566 K CA 0.996 57.297 56.287 0.024 0.000 0.929 566 K CB -0.154 32.359 32.500 0.022 0.000 0.713 566 K HN 0.134 nan 8.250 nan 0.000 0.439 567 L N 1.325 122.573 121.223 0.042 0.000 2.187 567 L HA -0.171 4.168 4.340 -0.001 0.000 0.213 567 L C 2.500 179.408 176.870 0.064 0.000 1.100 567 L CA 1.826 56.703 54.840 0.060 0.000 0.765 567 L CB -0.720 41.385 42.059 0.076 0.000 0.904 567 L HN 0.480 nan 8.230 nan 0.000 0.437 568 T N -4.067 110.516 114.554 0.047 0.000 3.051 568 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 568 T C 1.599 176.321 174.700 0.037 0.000 1.127 568 T CA 0.626 62.749 62.100 0.039 0.000 1.107 568 T CB -0.030 68.850 68.868 0.020 0.000 0.898 568 T HN 0.245 nan 8.240 nan 0.000 0.517 569 Q N 0.964 120.785 119.800 0.036 0.000 2.319 569 Q HA 0.239 4.578 4.340 -0.001 0.000 0.202 569 Q C 0.486 176.509 176.000 0.037 0.000 0.896 569 Q CA -0.056 55.766 55.803 0.031 0.000 0.942 569 Q CB -0.159 28.594 28.738 0.024 0.000 1.083 569 Q HN 0.661 nan 8.270 nan 0.000 0.510 570 D N 0.694 121.124 120.400 0.050 0.000 2.406 570 D HA -0.095 4.544 4.640 -0.001 0.000 0.234 570 D C 0.983 177.315 176.300 0.054 0.000 1.196 570 D CA 0.335 54.370 54.000 0.057 0.000 0.881 570 D CB 1.099 41.949 40.800 0.082 0.000 1.205 570 D HN -0.004 nan 8.370 nan 0.000 0.453 571 Q N 1.202 121.032 119.800 0.050 0.000 2.123 571 Q HA -0.102 4.237 4.340 -0.001 0.000 0.199 571 Q C 0.253 176.286 176.000 0.054 0.000 0.966 571 Q CA 0.817 56.645 55.803 0.043 0.000 0.845 571 Q CB -0.319 28.440 28.738 0.035 0.000 0.907 571 Q HN 0.533 nan 8.270 nan 0.000 0.439 572 D N -0.040 120.405 120.400 0.075 0.000 2.390 572 D HA 0.043 4.682 4.640 -0.001 0.000 0.249 572 D C 1.230 177.591 176.300 0.101 0.000 1.144 572 D CA -0.114 53.943 54.000 0.096 0.000 0.880 572 D CB 1.189 42.072 40.800 0.140 0.000 1.182 572 D HN -0.239 nan 8.370 nan 0.000 0.451 573 V N 3.689 123.648 119.914 0.075 0.000 2.252 573 V HA -0.266 3.854 4.120 -0.001 0.000 0.249 573 V C 1.685 177.827 176.094 0.081 0.000 1.056 573 V CA 1.939 64.272 62.300 0.055 0.000 1.022 573 V CB -0.531 31.299 31.823 0.011 0.000 0.641 573 V HN 0.676 nan 8.190 nan 0.000 0.445 574 D N 0.119 120.573 120.400 0.090 0.000 2.178 574 D HA -0.099 4.541 4.640 -0.001 0.000 0.202 574 D C 2.205 178.712 176.300 0.344 0.000 0.974 574 D CA 1.261 55.330 54.000 0.116 0.000 0.841 574 D CB -0.192 40.572 40.800 -0.061 0.000 0.953 574 D HN 0.388 nan 8.370 nan 0.000 0.478 575 V N 1.184 121.316 119.914 0.364 0.000 2.358 575 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 575 V C 2.503 178.758 176.094 0.268 0.000 1.047 575 V CA 1.416 63.953 62.300 0.394 0.000 1.035 575 V CB -0.411 31.580 31.823 0.279 0.000 0.658 575 V HN 0.113 nan 8.190 nan 0.000 0.452 576 K N -0.681 119.828 120.400 0.182 0.000 2.009 576 K HA -0.259 4.060 4.320 -0.001 0.000 0.210 576 K C 2.276 178.924 176.600 0.080 0.000 1.049 576 K CA 2.272 58.626 56.287 0.112 0.000 0.929 576 K CB -0.423 32.129 32.500 0.086 0.000 0.714 576 K HN 0.530 nan 8.250 nan 0.000 0.440 577 Y N 0.143 120.413 120.300 -0.049 0.000 2.128 577 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 577 Y C 1.735 177.515 175.900 -0.200 0.000 1.154 577 Y CA 1.825 59.813 58.100 -0.186 0.000 1.149 577 Y CB -0.351 37.886 38.460 -0.371 0.000 0.976 577 Y HN 0.028 nan 8.280 nan 0.000 0.505 578 F N -0.051 119.907 119.950 0.014 0.000 2.293 578 F HA -0.039 4.488 4.527 -0.001 0.000 0.300 578 F C 2.500 178.268 175.800 -0.054 0.000 1.086 578 F CA 0.934 58.911 58.000 -0.038 0.000 1.375 578 F CB -0.987 38.113 39.000 0.166 0.000 1.045 578 F HN 0.193 nan 8.300 nan 0.000 0.516 579 A N -0.468 122.434 122.820 0.138 0.000 1.873 579 A HA -0.240 4.080 4.320 -0.001 0.000 0.215 579 A C 2.118 179.698 177.584 -0.007 0.000 1.186 579 A CA 1.688 53.775 52.037 0.083 0.000 0.616 579 A CB -0.806 18.243 19.000 0.082 0.000 0.823 579 A HN 0.319 nan 8.150 nan 0.000 0.442 580 Q N 0.039 119.789 119.800 -0.083 0.000 2.030 580 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 580 Q C 1.944 177.849 176.000 -0.157 0.000 0.986 580 Q CA 2.457 58.186 55.803 -0.124 0.000 0.843 580 Q CB -0.404 28.231 28.738 -0.170 0.000 0.904 580 Q HN 0.688 nan 8.270 nan 0.000 0.420 581 E N -0.380 119.651 120.200 -0.282 0.000 2.097 581 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 581 E C 1.699 178.256 176.600 -0.072 0.000 1.000 581 E CA 1.792 58.050 56.400 -0.237 0.000 0.804 581 E CB -0.637 28.848 29.700 -0.358 0.000 0.740 581 E HN 0.414 nan 8.360 nan 0.000 0.454 582 A N 0.468 123.280 122.820 -0.013 0.000 1.902 582 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 582 A C 2.351 179.940 177.584 0.010 0.000 1.181 582 A CA 1.556 53.611 52.037 0.029 0.000 0.623 582 A CB -0.813 18.223 19.000 0.061 0.000 0.818 582 A HN 0.353 nan 8.150 nan 0.000 0.443 583 L N -0.822 120.398 121.223 -0.005 0.000 1.970 583 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 583 L C 2.867 179.731 176.870 -0.011 0.000 1.071 583 L CA 1.989 56.826 54.840 -0.006 0.000 0.751 583 L CB -1.064 40.988 42.059 -0.012 0.000 0.889 583 L HN 0.359 nan 8.230 nan 0.000 0.432 584 T N -0.620 113.918 114.554 -0.027 0.000 2.699 584 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 584 T C 1.914 176.608 174.700 -0.010 0.000 1.036 584 T CA 1.567 63.652 62.100 -0.024 0.000 1.147 584 T CB -0.291 68.551 68.868 -0.043 0.000 0.862 584 T HN 0.080 nan 8.240 nan 0.000 0.446 585 V N 1.229 121.140 119.914 -0.005 0.000 2.379 585 V HA -0.035 4.085 4.120 -0.001 0.000 0.245 585 V C 2.345 178.447 176.094 0.013 0.000 1.044 585 V CA 1.350 63.655 62.300 0.009 0.000 1.036 585 V CB -0.586 31.250 31.823 0.021 0.000 0.664 585 V HN 0.452 nan 8.190 nan 0.000 0.453 586 L N 0.022 121.253 121.223 0.014 0.000 2.465 586 L HA 0.047 4.387 4.340 -0.001 0.000 0.224 586 L C 1.128 178.004 176.870 0.011 0.000 1.145 586 L CA 0.527 55.377 54.840 0.015 0.000 0.834 586 L CB -0.389 41.681 42.059 0.018 0.000 0.944 586 L HN 0.428 nan 8.230 nan 0.000 0.451 587 S N -0.190 115.514 115.700 0.006 0.000 3.812 587 S HA -0.132 4.338 4.470 -0.001 0.000 0.341 587 S C 0.672 175.275 174.600 0.004 0.000 1.057 587 S CA 0.363 58.566 58.200 0.004 0.000 1.015 587 S CB -1.709 61.495 63.200 0.006 0.000 0.893 587 S HN 0.391 nan 8.310 nan 0.000 0.476 588 L N -1.261 119.964 121.223 0.004 0.000 2.766 588 L HA 0.466 4.805 4.340 -0.001 0.000 0.242 588 L C 1.309 178.180 176.870 0.001 0.000 1.136 588 L CA 0.320 55.163 54.840 0.004 0.000 0.933 588 L CB -0.062 42.001 42.059 0.007 0.000 1.241 588 L HN 0.504 nan 8.230 nan 0.000 0.522 589 A N 0.000 122.819 122.820 -0.002 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 589 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 589 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486