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 2wad_1_C DATA FIRST_RESID 50 DATA SEQUENCE SQTKVTTSSA RGEIYDASGK PLVENTLKQV VSFTRSNKMT ATDLKEIAKK DATA SEQUENCE LLTYVSISSP NLTERQLADY YLADPEIYKK TVEALPSEXX XXXXXXXXXX DATA SEQUENCE SELYNNAVDS VPTSQLNYTE DEKKEIYLFS QLNAVGNFAT GTIATDPLND DATA SEQUENCE SQVAVIASIS KEMPGISIST SWDRKILETS LSSIVGSVSS EKAGLPAEEA DATA SEQUENCE ESYLKKGYSL NDRVGTSYLE KQYEEVLQGK RPVKEIHLDK HGDMESVENI DATA SEQUENCE EEGSKGKNIK LTIDLAFQDS VDALLKSYFN SELGNGGAKY SEGVYAVALN DATA SEQUENCE PQTGAVLSMS GLKHDLKTGE LTPDSLGTVT NVFVPGSVVK AATISSGWEN DATA SEQUENCE GVLSGNQTLT DQPIVFQGSA PIYSWYKLAY GSFPITAVEA LEYSSNAYVV DATA SEQUENCE QTALGIMGQT YQPNMFVGTS NLESAMGKLR STFGEYGLGS ATGIDLPDES DATA SEQUENCE TGLVPKEYNF ANFITNAFGQ FDNYTPMQLA QYVATIANNG VRLAPHIVEG DATA SEQUENCE IYDNNDKGGL GELIQAIDTK EINKVNISES DMAILHQGFY QVSHGTSPLT DATA SEQUENCE TGRAFSDGAT VSISGKTGXX XXXXXXXXXX TNTNAVAYAP TENPQIAVAV DATA SEQUENCE VFPHNTNLTK NVGPAIARDI INLYNQHHPM N 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 50 S HA 0.000 nan 4.470 nan 0.000 0.327 50 S C 0.000 174.631 174.600 0.051 0.000 1.055 50 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 50 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 51 Q N 0.279 120.113 119.800 0.056 0.000 2.495 51 Q HA 0.855 5.197 4.340 0.003 0.000 0.287 51 Q C -1.199 174.769 176.000 -0.054 0.000 1.078 51 Q CA -1.001 54.855 55.803 0.088 0.000 0.793 51 Q CB 2.428 31.280 28.738 0.189 0.000 1.459 51 Q HN 0.568 nan 8.270 nan 0.000 0.422 52 T N 0.155 114.620 114.554 -0.149 0.000 3.225 52 T HA 0.335 4.687 4.350 0.003 0.000 0.356 52 T C -2.127 172.480 174.700 -0.155 0.000 1.460 52 T CA -0.825 61.196 62.100 -0.131 0.000 1.126 52 T CB 1.085 69.872 68.868 -0.135 0.000 1.321 52 T HN 0.602 nan 8.240 nan 0.000 0.478 53 K N 2.259 122.611 120.400 -0.080 0.000 2.123 53 K HA 0.849 5.171 4.320 0.003 0.000 0.259 53 K C -0.420 176.160 176.600 -0.034 0.000 0.960 53 K CA -0.859 55.385 56.287 -0.073 0.000 0.872 53 K CB 1.783 34.252 32.500 -0.051 0.000 1.079 53 K HN 0.456 nan 8.250 nan 0.000 0.440 54 V N -1.810 118.083 119.914 -0.035 0.000 2.925 54 V HA 0.654 4.776 4.120 0.003 0.000 0.311 54 V C -0.597 175.490 176.094 -0.012 0.000 1.104 54 V CA -0.735 61.563 62.300 -0.002 0.000 0.954 54 V CB 1.519 33.359 31.823 0.028 0.000 1.022 54 V HN 1.013 nan 8.190 nan 0.000 0.427 55 T N -0.538 114.013 114.554 -0.006 0.000 2.856 55 T HA 0.728 5.080 4.350 0.003 0.000 0.283 55 T C -0.249 174.447 174.700 -0.006 0.000 1.008 55 T CA -0.384 61.707 62.100 -0.015 0.000 0.997 55 T CB 1.649 70.499 68.868 -0.030 0.000 0.992 55 T HN 1.212 nan 8.240 nan 0.000 0.454 56 T N 1.508 116.060 114.554 -0.004 0.000 2.824 56 T HA 0.525 4.877 4.350 0.003 0.000 0.282 56 T C 0.134 174.841 174.700 0.011 0.000 0.993 56 T CA -0.485 61.624 62.100 0.015 0.000 0.967 56 T CB 1.066 69.952 68.868 0.029 0.000 0.960 56 T HN 0.733 nan 8.240 nan 0.000 0.441 57 S N 2.827 118.540 115.700 0.021 0.000 2.576 57 S HA 0.411 4.883 4.470 0.003 0.000 0.272 57 S C 0.359 174.955 174.600 -0.006 0.000 1.352 57 S CA -0.377 57.823 58.200 -0.000 0.000 1.021 57 S CB 0.659 63.872 63.200 0.021 0.000 0.887 57 S HN 0.799 nan 8.310 nan 0.000 0.542 58 S N 0.327 115.970 115.700 -0.095 0.000 2.776 58 S HA 0.754 5.226 4.470 0.003 0.000 0.306 58 S C -0.260 174.040 174.600 -0.499 0.000 1.114 58 S CA -0.670 57.400 58.200 -0.216 0.000 0.973 58 S CB 1.179 64.280 63.200 -0.164 0.000 1.250 58 S HN 0.878 nan 8.310 nan 0.000 0.549 59 A N 1.037 123.391 122.820 -0.778 0.000 2.328 59 A HA 0.517 4.839 4.320 0.003 0.000 0.284 59 A C 0.200 177.491 177.584 -0.489 0.000 1.160 59 A CA -0.272 51.130 52.037 -1.057 0.000 0.818 59 A CB 0.054 18.224 19.000 -1.383 0.000 1.087 59 A HN 0.703 nan 8.150 nan 0.000 0.504 60 R N 1.770 122.046 120.500 -0.373 0.000 2.694 60 R HA 0.340 4.682 4.340 0.003 0.000 0.268 60 R C 0.850 177.077 176.300 -0.121 0.000 1.061 60 R CA 0.581 56.578 56.100 -0.172 0.000 1.133 60 R CB 0.482 30.720 30.300 -0.103 0.000 1.020 60 R HN 0.867 nan 8.270 nan 0.000 0.475 61 G N 1.629 110.399 108.800 -0.049 0.000 2.634 61 G HA2 0.132 4.093 3.960 0.003 0.000 0.255 61 G HA3 0.132 4.093 3.960 0.003 0.000 0.255 61 G C -0.831 174.059 174.900 -0.016 0.000 1.205 61 G CA -0.430 44.666 45.100 -0.005 0.000 0.884 61 G HN 0.654 nan 8.290 nan 0.000 0.549 62 E N -1.050 119.148 120.200 -0.004 0.000 2.281 62 E HA 0.416 4.767 4.350 0.003 0.000 0.262 62 E C -0.462 175.992 176.600 -0.243 0.000 0.933 62 E CA -0.792 55.516 56.400 -0.154 0.000 0.809 62 E CB 2.045 31.593 29.700 -0.253 0.000 1.242 62 E HN 0.165 nan 8.360 nan 0.000 0.418 63 I N 2.158 122.488 120.570 -0.400 0.000 2.354 63 I HA 0.323 4.495 4.170 0.003 0.000 0.292 63 I C -0.900 174.926 176.117 -0.485 0.000 0.989 63 I CA -0.548 60.581 61.300 -0.285 0.000 1.188 63 I CB 0.013 37.930 38.000 -0.138 0.000 1.342 63 I HN 0.488 nan 8.210 nan 0.000 0.457 64 Y N 3.571 123.851 120.300 -0.034 0.000 2.425 64 Y HA 0.274 4.826 4.550 0.003 0.000 0.344 64 Y C 0.584 176.460 175.900 -0.040 0.000 0.969 64 Y CA -1.053 57.019 58.100 -0.047 0.000 1.052 64 Y CB 1.344 39.748 38.460 -0.094 0.000 1.215 64 Y HN 0.612 nan 8.280 nan 0.000 0.451 65 D N 1.294 121.769 120.400 0.125 0.000 2.314 65 D HA 0.066 4.708 4.640 0.003 0.000 0.252 65 D C 1.135 177.479 176.300 0.073 0.000 1.295 65 D CA 0.241 54.291 54.000 0.084 0.000 0.995 65 D CB 0.617 41.464 40.800 0.077 0.000 1.125 65 D HN 0.583 nan 8.370 nan 0.000 0.537 66 A N -0.535 122.330 122.820 0.075 0.000 2.067 66 A HA -0.077 4.245 4.320 0.003 0.000 0.219 66 A C 2.088 179.700 177.584 0.046 0.000 1.158 66 A CA 1.907 53.983 52.037 0.065 0.000 0.661 66 A CB -0.739 18.315 19.000 0.090 0.000 0.801 66 A HN 0.606 nan 8.150 nan 0.000 0.452 67 S N -2.819 112.917 115.700 0.059 0.000 2.535 67 S HA 0.417 4.889 4.470 0.003 0.000 0.214 67 S C 1.320 175.921 174.600 0.002 0.000 0.980 67 S CA 1.006 59.229 58.200 0.038 0.000 0.907 67 S CB 0.182 63.425 63.200 0.071 0.000 0.790 67 S HN 1.780 nan 8.310 nan 0.000 0.510 68 G N 1.217 110.021 108.800 0.007 0.000 2.184 68 G HA2 -0.173 3.789 3.960 0.003 0.000 0.206 68 G HA3 -0.173 3.789 3.960 0.003 0.000 0.206 68 G C -0.134 174.825 174.900 0.097 0.000 0.995 68 G CA -0.399 44.683 45.100 -0.030 0.000 0.651 68 G HN 0.417 nan 8.290 nan 0.000 0.511 69 K N 1.718 122.189 120.400 0.119 0.000 2.401 69 K HA 0.306 4.628 4.320 0.003 0.000 0.278 69 K C -2.251 174.475 176.600 0.210 0.000 1.018 69 K CA -1.201 55.169 56.287 0.139 0.000 0.981 69 K CB 1.104 33.655 32.500 0.084 0.000 0.933 69 K HN 0.250 nan 8.250 nan 0.000 0.477 70 P HA 0.132 nan 4.420 nan 0.000 0.275 70 P C 0.152 177.414 177.300 -0.063 0.000 1.228 70 P CA -0.130 62.961 63.100 -0.015 0.000 0.786 70 P CB 0.717 32.420 31.700 0.006 0.000 0.927 71 L N 1.126 122.258 121.223 -0.152 0.000 2.781 71 L HA 0.180 4.522 4.340 0.003 0.000 0.245 71 L C 1.077 177.896 176.870 -0.085 0.000 1.118 71 L CA -0.017 54.773 54.840 -0.084 0.000 0.918 71 L CB 0.355 42.374 42.059 -0.067 0.000 1.246 71 L HN 0.217 nan 8.230 nan 0.000 0.526 72 V N -2.731 117.101 119.914 -0.137 0.000 3.145 72 V HA 0.745 4.867 4.120 0.003 0.000 0.311 72 V C -1.291 174.757 176.094 -0.076 0.000 1.238 72 V CA -0.717 61.529 62.300 -0.090 0.000 1.066 72 V CB 2.249 34.016 31.823 -0.095 0.000 1.144 72 V HN 0.091 nan 8.190 nan 0.000 0.465 73 E N 0.437 120.618 120.200 -0.031 0.000 2.343 73 E HA 0.401 4.753 4.350 0.003 0.000 0.288 73 E C -1.776 174.851 176.600 0.046 0.000 0.907 73 E CA -0.365 56.040 56.400 0.008 0.000 0.792 73 E CB 1.312 31.024 29.700 0.020 0.000 1.275 73 E HN 0.752 nan 8.360 nan 0.000 0.402 74 N N 2.889 121.636 118.700 0.078 0.000 2.521 74 N HA 0.154 4.895 4.740 0.003 0.000 0.236 74 N C -0.997 174.630 175.510 0.196 0.000 1.067 74 N CA -0.167 52.984 53.050 0.169 0.000 0.939 74 N CB 1.494 40.103 38.487 0.203 0.000 1.201 74 N HN 0.423 nan 8.380 nan 0.000 0.511 75 T N 2.068 116.710 114.554 0.146 0.000 2.832 75 T HA 0.314 4.666 4.350 0.003 0.000 0.296 75 T C 0.105 174.846 174.700 0.068 0.000 0.968 75 T CA -0.467 61.690 62.100 0.096 0.000 1.107 75 T CB 0.204 69.105 68.868 0.055 0.000 0.916 75 T HN 0.266 nan 8.240 nan 0.000 0.517 76 L N 6.261 127.492 121.223 0.013 0.000 2.276 76 L HA 0.542 4.884 4.340 0.003 0.000 0.286 76 L C 0.187 176.966 176.870 -0.151 0.000 1.061 76 L CA -0.029 54.736 54.840 -0.125 0.000 0.807 76 L CB 0.535 42.545 42.059 -0.082 0.000 1.177 76 L HN 0.775 nan 8.230 nan 0.000 0.429 77 K N 2.936 123.193 120.400 -0.240 0.000 2.372 77 K HA 0.644 4.966 4.320 0.003 0.000 0.251 77 K C -1.411 175.070 176.600 -0.198 0.000 1.055 77 K CA -1.099 55.088 56.287 -0.167 0.000 0.879 77 K CB 1.444 33.883 32.500 -0.102 0.000 1.384 77 K HN 0.357 nan 8.250 nan 0.000 0.465 78 Q N 0.712 120.437 119.800 -0.126 0.000 2.309 78 Q HA 0.556 4.898 4.340 0.003 0.000 0.264 78 Q C -0.678 175.277 176.000 -0.075 0.000 1.008 78 Q CA -1.218 54.519 55.803 -0.111 0.000 0.853 78 Q CB 2.406 31.096 28.738 -0.080 0.000 1.314 78 Q HN 0.584 nan 8.270 nan 0.000 0.448 79 V N -2.023 117.851 119.914 -0.066 0.000 3.182 79 V HA 0.622 4.744 4.120 0.003 0.000 0.308 79 V C -0.559 175.527 176.094 -0.013 0.000 1.240 79 V CA -1.030 61.252 62.300 -0.031 0.000 1.063 79 V CB 1.685 33.492 31.823 -0.026 0.000 1.076 79 V HN 0.477 nan 8.190 nan 0.000 0.446 80 V N 1.676 121.596 119.914 0.010 0.000 2.461 80 V HA 0.560 4.682 4.120 0.003 0.000 0.275 80 V C 0.422 176.542 176.094 0.043 0.000 1.047 80 V CA 0.319 62.633 62.300 0.024 0.000 0.955 80 V CB 0.991 32.833 31.823 0.032 0.000 0.988 80 V HN 0.996 nan 8.190 nan 0.000 0.471 81 S N 4.472 120.205 115.700 0.055 0.000 2.532 81 S HA 0.727 5.199 4.470 0.003 0.000 0.301 81 S C -0.954 173.739 174.600 0.155 0.000 1.083 81 S CA -0.380 57.868 58.200 0.081 0.000 1.025 81 S CB 1.517 64.743 63.200 0.043 0.000 1.056 81 S HN 0.555 nan 8.310 nan 0.000 0.494 82 F N 1.895 121.831 119.950 -0.023 0.000 2.507 82 F HA 0.543 5.072 4.527 0.003 0.000 0.325 82 F C -0.319 175.463 175.800 -0.030 0.000 1.116 82 F CA -0.533 57.448 58.000 -0.031 0.000 0.930 82 F CB 1.671 40.643 39.000 -0.048 0.000 1.146 82 F HN 0.387 nan 8.300 nan 0.000 0.447 83 T N 6.773 120.956 114.554 -0.618 0.000 2.821 83 T HA 0.332 4.683 4.350 0.003 0.000 0.307 83 T C -0.150 173.994 174.700 -0.926 0.000 1.034 83 T CA -0.487 61.276 62.100 -0.561 0.000 0.953 83 T CB 0.361 69.077 68.868 -0.252 0.000 0.968 83 T HN 0.653 nan 8.240 nan 0.000 0.462 84 R N 2.327 122.321 120.500 -0.843 0.000 2.641 84 R HA 0.452 4.794 4.340 0.003 0.000 0.269 84 R C -0.026 176.002 176.300 -0.454 0.000 1.074 84 R CA -0.169 55.505 56.100 -0.710 0.000 1.133 84 R CB 0.537 30.606 30.300 -0.385 0.000 1.029 84 R HN 0.554 nan 8.270 nan 0.000 0.488 85 S N 1.357 116.850 115.700 -0.345 0.000 2.513 85 S HA 0.150 4.622 4.470 0.003 0.000 0.299 85 S C 0.676 175.084 174.600 -0.319 0.000 1.087 85 S CA -1.034 56.982 58.200 -0.306 0.000 1.012 85 S CB 1.073 64.190 63.200 -0.138 0.000 1.044 85 S HN 0.811 nan 8.310 nan 0.000 0.485 86 N N 4.304 122.742 118.700 -0.437 0.000 2.513 86 N HA -0.114 4.628 4.740 0.003 0.000 0.187 86 N C 0.767 176.196 175.510 -0.135 0.000 1.056 86 N CA 0.958 53.819 53.050 -0.315 0.000 0.907 86 N CB -0.157 38.186 38.487 -0.240 0.000 0.954 86 N HN 0.629 nan 8.380 nan 0.000 0.445 87 K N -0.339 120.005 120.400 -0.094 0.000 2.354 87 K HA 0.262 4.584 4.320 0.003 0.000 0.194 87 K C 0.293 176.875 176.600 -0.029 0.000 1.045 87 K CA -0.216 56.048 56.287 -0.039 0.000 1.026 87 K CB 0.266 32.761 32.500 -0.008 0.000 0.866 87 K HN 0.121 nan 8.250 nan 0.000 0.530 88 M N 2.863 122.443 119.600 -0.034 0.000 2.390 88 M HA -0.039 4.443 4.480 0.003 0.000 0.353 88 M C 0.582 176.874 176.300 -0.013 0.000 1.623 88 M CA 0.367 55.665 55.300 -0.004 0.000 1.065 88 M CB 0.169 32.788 32.600 0.031 0.000 2.025 88 M HN 0.134 nan 8.290 nan 0.000 0.461 89 T N 0.501 115.052 114.554 -0.005 0.000 2.754 89 T HA 0.445 4.797 4.350 0.003 0.000 0.286 89 T C 1.266 175.977 174.700 0.017 0.000 0.997 89 T CA -0.409 61.686 62.100 -0.009 0.000 0.982 89 T CB 1.066 69.928 68.868 -0.011 0.000 1.027 89 T HN 0.672 nan 8.240 nan 0.000 0.529 90 A N 0.494 123.332 122.820 0.030 0.000 1.930 90 A HA 0.004 4.326 4.320 0.003 0.000 0.217 90 A C 2.479 180.162 177.584 0.165 0.000 1.175 90 A CA 1.916 54.041 52.037 0.146 0.000 0.627 90 A CB -1.730 17.349 19.000 0.132 0.000 0.815 90 A HN 0.911 nan 8.150 nan 0.000 0.443 91 T N 0.434 115.013 114.554 0.041 0.000 2.788 91 T HA -0.121 4.231 4.350 0.003 0.000 0.268 91 T C 1.411 176.136 174.700 0.041 0.000 1.044 91 T CA 1.435 63.542 62.100 0.012 0.000 1.139 91 T CB -0.397 68.457 68.868 -0.022 0.000 0.867 91 T HN 0.477 nan 8.240 nan 0.000 0.454 92 D N 1.249 121.673 120.400 0.040 0.000 2.149 92 D HA -0.027 4.615 4.640 0.003 0.000 0.198 92 D C 2.078 178.409 176.300 0.051 0.000 0.990 92 D CA 0.799 54.824 54.000 0.041 0.000 0.839 92 D CB -0.242 40.581 40.800 0.037 0.000 0.948 92 D HN 0.352 nan 8.370 nan 0.000 0.460 93 L N 0.485 121.747 121.223 0.065 0.000 2.131 93 L HA -0.075 4.267 4.340 0.003 0.000 0.206 93 L C 2.402 179.357 176.870 0.143 0.000 1.087 93 L CA 0.810 55.657 54.840 0.012 0.000 0.767 93 L CB -0.220 41.745 42.059 -0.156 0.000 0.917 93 L HN -0.074 nan 8.230 nan 0.000 0.441 94 K N -0.007 120.570 120.400 0.296 0.000 2.063 94 K HA -0.176 4.146 4.320 0.003 0.000 0.208 94 K C 2.025 178.693 176.600 0.113 0.000 1.048 94 K CA 1.173 57.603 56.287 0.237 0.000 0.928 94 K CB -0.065 32.471 32.500 0.060 0.000 0.713 94 K HN 0.247 nan 8.250 nan 0.000 0.442 95 E N 0.805 121.047 120.200 0.069 0.000 2.110 95 E HA -0.147 4.204 4.350 0.003 0.000 0.193 95 E C 2.068 178.692 176.600 0.039 0.000 0.988 95 E CA 0.985 57.413 56.400 0.046 0.000 0.804 95 E CB -0.172 29.549 29.700 0.036 0.000 0.745 95 E HN 0.383 nan 8.360 nan 0.000 0.458 96 I N 1.053 121.635 120.570 0.019 0.000 2.233 96 I HA -0.211 3.961 4.170 0.003 0.000 0.243 96 I C 2.533 178.634 176.117 -0.026 0.000 1.093 96 I CA 0.849 62.139 61.300 -0.017 0.000 1.380 96 I CB -0.406 37.544 38.000 -0.083 0.000 1.067 96 I HN -0.018 nan 8.210 nan 0.000 0.413 97 A N 2.131 124.941 122.820 -0.018 0.000 1.903 97 A HA -0.287 4.035 4.320 0.003 0.000 0.219 97 A C 2.340 179.951 177.584 0.044 0.000 1.191 97 A CA 2.578 54.627 52.037 0.020 0.000 0.638 97 A CB -0.681 18.388 19.000 0.115 0.000 0.823 97 A HN 0.548 nan 8.150 nan 0.000 0.451 98 K N -1.709 118.724 120.400 0.054 0.000 2.228 98 K HA -0.009 4.313 4.320 0.003 0.000 0.202 98 K C 1.616 178.241 176.600 0.042 0.000 1.051 98 K CA 0.956 57.269 56.287 0.044 0.000 0.960 98 K CB -0.172 32.354 32.500 0.043 0.000 0.743 98 K HN 0.148 nan 8.250 nan 0.000 0.458 99 K N 1.289 121.724 120.400 0.058 0.000 2.063 99 K HA -0.105 4.217 4.320 0.003 0.000 0.208 99 K C 2.124 178.817 176.600 0.155 0.000 1.048 99 K CA 0.962 57.308 56.287 0.097 0.000 0.928 99 K CB -0.362 32.197 32.500 0.098 0.000 0.713 99 K HN 0.190 nan 8.250 nan 0.000 0.442 100 L N 0.825 122.119 121.223 0.118 0.000 2.179 100 L HA -0.032 4.310 4.340 0.003 0.000 0.208 100 L C 1.951 178.892 176.870 0.119 0.000 1.096 100 L CA 0.988 55.917 54.840 0.148 0.000 0.779 100 L CB -0.370 41.724 42.059 0.059 0.000 0.922 100 L HN 0.017 nan 8.230 nan 0.000 0.443 101 L N -0.856 120.399 121.223 0.053 0.000 2.549 101 L HA -0.092 4.249 4.340 0.003 0.000 0.229 101 L C 1.973 178.817 176.870 -0.045 0.000 1.158 101 L CA 1.631 56.481 54.840 0.017 0.000 0.842 101 L CB -0.902 41.162 42.059 0.007 0.000 0.952 101 L HN 0.257 nan 8.230 nan 0.000 0.452 102 T N -1.356 113.131 114.554 -0.110 0.000 2.915 102 T HA -0.113 4.239 4.350 0.003 0.000 0.269 102 T C 0.866 175.276 174.700 -0.484 0.000 1.071 102 T CA 1.614 63.495 62.100 -0.365 0.000 1.132 102 T CB -0.212 68.301 68.868 -0.592 0.000 0.878 102 T HN 0.412 nan 8.240 nan 0.000 0.479 103 Y N 0.125 120.426 120.300 0.001 0.000 2.453 103 Y HA 0.427 4.978 4.550 0.003 0.000 0.247 103 Y C 0.601 176.501 175.900 -0.000 0.000 1.124 103 Y CA -0.973 57.127 58.100 0.001 0.000 1.243 103 Y CB 0.679 39.140 38.460 0.002 0.000 1.213 103 Y HN 0.043 nan 8.280 nan 0.000 0.523 104 V N -3.714 116.257 119.914 0.096 0.000 3.160 104 V HA 0.754 4.876 4.120 0.003 0.000 0.310 104 V C -0.344 175.763 176.094 0.020 0.000 1.181 104 V CA -1.049 61.288 62.300 0.062 0.000 1.047 104 V CB 1.999 33.864 31.823 0.070 0.000 1.068 104 V HN -0.169 nan 8.190 nan 0.000 0.441 105 S N 2.414 118.119 115.700 0.008 0.000 2.472 105 S HA 0.793 5.264 4.470 0.003 0.000 0.303 105 S C -0.696 173.879 174.600 -0.041 0.000 1.099 105 S CA -0.482 57.706 58.200 -0.019 0.000 1.077 105 S CB 1.046 64.233 63.200 -0.022 0.000 1.031 105 S HN 0.636 nan 8.310 nan 0.000 0.487 106 I N 3.771 124.296 120.570 -0.074 0.000 2.466 106 I HA 0.249 4.421 4.170 0.003 0.000 0.279 106 I C 1.099 177.115 176.117 -0.168 0.000 1.033 106 I CA -0.305 60.901 61.300 -0.157 0.000 1.123 106 I CB 0.665 38.560 38.000 -0.175 0.000 1.237 106 I HN 0.714 nan 8.210 nan 0.000 0.460 107 S N 3.320 118.918 115.700 -0.170 0.000 2.433 107 S HA 0.136 4.608 4.470 0.003 0.000 0.216 107 S C 0.883 175.397 174.600 -0.144 0.000 1.031 107 S CA 0.017 58.141 58.200 -0.127 0.000 0.931 107 S CB 0.072 63.221 63.200 -0.085 0.000 0.875 107 S HN 0.440 nan 8.310 nan 0.000 0.553 108 S N 4.223 119.827 115.700 -0.159 0.000 2.835 108 S HA 0.489 4.961 4.470 0.003 0.000 0.286 108 S C -2.711 171.773 174.600 -0.194 0.000 1.194 108 S CA -0.980 57.140 58.200 -0.133 0.000 1.031 108 S CB 0.568 63.720 63.200 -0.081 0.000 1.216 108 S HN 0.433 nan 8.310 nan 0.000 0.502 109 P HA 0.395 nan 4.420 nan 0.000 0.295 109 P C -0.968 176.317 177.300 -0.025 0.000 1.354 109 P CA -0.647 62.329 63.100 -0.206 0.000 0.814 109 P CB 0.343 31.933 31.700 -0.183 0.000 0.935 110 N N 2.724 121.459 118.700 0.058 0.000 3.091 110 N HA 0.235 4.977 4.740 0.003 0.000 0.255 110 N C -0.457 175.114 175.510 0.102 0.000 1.204 110 N CA -0.357 52.734 53.050 0.068 0.000 0.990 110 N CB 0.048 38.570 38.487 0.059 0.000 1.260 110 N HN 0.275 nan 8.380 nan 0.000 0.502 111 L N 1.294 122.572 121.223 0.091 0.000 2.418 111 L HA 0.166 4.508 4.340 0.003 0.000 0.274 111 L C 1.314 178.221 176.870 0.062 0.000 1.135 111 L CA -0.372 54.518 54.840 0.083 0.000 0.870 111 L CB 0.012 42.106 42.059 0.058 0.000 1.154 111 L HN 0.408 nan 8.230 nan 0.000 0.462 112 T N -1.196 113.394 114.554 0.059 0.000 2.860 112 T HA 0.105 4.456 4.350 0.003 0.000 0.299 112 T C 0.930 175.664 174.700 0.057 0.000 1.045 112 T CA -0.618 61.513 62.100 0.051 0.000 1.071 112 T CB 1.276 70.172 68.868 0.046 0.000 0.985 112 T HN 0.593 nan 8.240 nan 0.000 0.537 113 E N -0.002 120.229 120.200 0.051 0.000 2.150 113 E HA -0.027 4.324 4.350 0.003 0.000 0.193 113 E C 2.210 178.852 176.600 0.070 0.000 0.985 113 E CA 0.593 57.027 56.400 0.056 0.000 0.814 113 E CB -0.166 29.559 29.700 0.042 0.000 0.752 113 E HN 0.587 nan 8.360 nan 0.000 0.466 114 R N 1.077 121.616 120.500 0.066 0.000 2.081 114 R HA -0.134 4.207 4.340 0.003 0.000 0.235 114 R C 1.806 178.164 176.300 0.098 0.000 1.131 114 R CA 1.776 57.922 56.100 0.076 0.000 0.960 114 R CB -0.327 30.010 30.300 0.062 0.000 0.856 114 R HN 0.270 nan 8.270 nan 0.000 0.436 115 Q N -0.362 119.493 119.800 0.092 0.000 2.079 115 Q HA -0.052 4.290 4.340 0.003 0.000 0.200 115 Q C 2.195 178.273 176.000 0.130 0.000 0.974 115 Q CA 1.531 57.402 55.803 0.114 0.000 0.840 115 Q CB -0.149 28.637 28.738 0.081 0.000 0.898 115 Q HN 0.298 nan 8.270 nan 0.000 0.430 116 L N 0.251 121.541 121.223 0.112 0.000 2.131 116 L HA -0.196 4.146 4.340 0.003 0.000 0.210 116 L C 2.384 179.390 176.870 0.228 0.000 1.092 116 L CA 0.954 55.887 54.840 0.156 0.000 0.759 116 L CB -0.434 41.718 42.059 0.155 0.000 0.903 116 L HN 0.240 nan 8.230 nan 0.000 0.435 117 A N -0.563 122.366 122.820 0.181 0.000 1.874 117 A HA -0.163 4.159 4.320 0.003 0.000 0.214 117 A C 1.938 179.647 177.584 0.208 0.000 1.189 117 A CA 1.329 53.488 52.037 0.205 0.000 0.615 117 A CB -0.405 18.683 19.000 0.146 0.000 0.830 117 A HN 0.278 nan 8.150 nan 0.000 0.443 118 D N -1.193 119.312 120.400 0.174 0.000 2.133 118 D HA -0.218 4.424 4.640 0.003 0.000 0.192 118 D C 1.667 178.022 176.300 0.092 0.000 1.001 118 D CA 1.886 55.988 54.000 0.170 0.000 0.844 118 D CB -0.472 40.474 40.800 0.242 0.000 0.944 118 D HN 0.614 nan 8.370 nan 0.000 0.447 119 Y N -0.117 120.121 120.300 -0.104 0.000 2.163 119 Y HA -0.303 4.249 4.550 0.003 0.000 0.288 119 Y C 2.392 178.188 175.900 -0.173 0.000 1.136 119 Y CA 1.451 59.301 58.100 -0.417 0.000 1.147 119 Y CB -0.469 37.718 38.460 -0.455 0.000 0.987 119 Y HN -0.034 nan 8.280 nan 0.000 0.509 120 Y N 0.587 120.943 120.300 0.093 0.000 2.165 120 Y HA -0.261 4.291 4.550 0.003 0.000 0.286 120 Y C 1.851 177.734 175.900 -0.028 0.000 1.155 120 Y CA 1.973 60.134 58.100 0.101 0.000 1.164 120 Y CB -0.576 37.999 38.460 0.191 0.000 0.978 120 Y HN 0.172 nan 8.280 nan 0.000 0.513 121 L N -0.389 120.822 121.223 -0.021 0.000 2.478 121 L HA -0.036 4.306 4.340 0.003 0.000 0.223 121 L C 2.626 179.408 176.870 -0.147 0.000 1.140 121 L CA 0.537 55.345 54.840 -0.054 0.000 0.842 121 L CB -0.812 41.329 42.059 0.137 0.000 0.953 121 L HN 0.297 nan 8.230 nan 0.000 0.452 122 A N -0.259 122.409 122.820 -0.253 0.000 1.917 122 A HA -0.240 4.081 4.320 0.003 0.000 0.219 122 A C 1.210 178.649 177.584 -0.242 0.000 1.182 122 A CA 1.330 53.195 52.037 -0.286 0.000 0.633 122 A CB -0.483 18.174 19.000 -0.571 0.000 0.819 122 A HN 0.386 nan 8.150 nan 0.000 0.448 123 D N -0.463 119.768 120.400 -0.281 0.000 2.382 123 D HA 0.167 4.809 4.640 0.003 0.000 0.259 123 D C -1.608 174.622 176.300 -0.117 0.000 1.224 123 D CA -1.964 51.916 54.000 -0.200 0.000 0.894 123 D CB 1.023 41.690 40.800 -0.222 0.000 1.127 123 D HN 0.036 nan 8.370 nan 0.000 0.487 124 P HA -0.157 nan 4.420 nan 0.000 0.216 124 P C 1.098 178.413 177.300 0.024 0.000 1.150 124 P CA 1.102 64.200 63.100 -0.004 0.000 0.843 124 P CB 0.279 31.971 31.700 -0.014 0.000 0.787 125 E N -0.709 119.477 120.200 -0.024 0.000 2.072 125 E HA -0.127 4.225 4.350 0.003 0.000 0.190 125 E C 1.934 178.499 176.600 -0.058 0.000 0.982 125 E CA 0.786 57.167 56.400 -0.032 0.000 0.803 125 E CB -0.284 29.392 29.700 -0.040 0.000 0.755 125 E HN -0.006 nan 8.360 nan 0.000 0.453 126 I N 0.779 121.286 120.570 -0.106 0.000 2.226 126 I HA -0.247 3.925 4.170 0.003 0.000 0.245 126 I C 2.329 178.362 176.117 -0.140 0.000 1.100 126 I CA 1.182 62.371 61.300 -0.185 0.000 1.374 126 I CB -1.169 36.594 38.000 -0.394 0.000 1.057 126 I HN 0.297 nan 8.210 nan 0.000 0.413 127 Y N 2.351 122.533 120.300 -0.196 0.000 2.128 127 Y HA -0.316 4.236 4.550 0.003 0.000 0.284 127 Y C 2.742 178.573 175.900 -0.115 0.000 1.154 127 Y CA 2.394 60.403 58.100 -0.153 0.000 1.149 127 Y CB -0.414 37.968 38.460 -0.129 0.000 0.976 127 Y HN 0.100 nan 8.280 nan 0.000 0.505 128 K N 0.376 120.678 120.400 -0.164 0.000 2.097 128 K HA -0.220 4.102 4.320 0.003 0.000 0.206 128 K C 2.296 178.787 176.600 -0.182 0.000 1.049 128 K CA 1.852 58.022 56.287 -0.195 0.000 0.933 128 K CB -0.251 32.229 32.500 -0.035 0.000 0.717 128 K HN 0.266 nan 8.250 nan 0.000 0.442 129 K N -0.176 120.147 120.400 -0.128 0.000 2.097 129 K HA -0.095 4.226 4.320 0.003 0.000 0.205 129 K C 2.038 178.584 176.600 -0.090 0.000 1.050 129 K CA 1.737 57.972 56.287 -0.086 0.000 0.938 129 K CB -0.024 32.441 32.500 -0.057 0.000 0.718 129 K HN 0.457 nan 8.250 nan 0.000 0.442 130 T N -1.838 112.637 114.554 -0.131 0.000 2.985 130 T HA -0.061 4.291 4.350 0.003 0.000 0.266 130 T C 1.822 176.430 174.700 -0.153 0.000 1.076 130 T CA 0.959 63.004 62.100 -0.091 0.000 1.135 130 T CB -0.066 68.785 68.868 -0.027 0.000 0.890 130 T HN 0.045 nan 8.240 nan 0.000 0.480 131 V N 1.650 121.380 119.914 -0.307 0.000 2.548 131 V HA -0.063 4.058 4.120 0.003 0.000 0.249 131 V C 2.433 178.522 176.094 -0.009 0.000 1.055 131 V CA 1.765 63.895 62.300 -0.283 0.000 1.065 131 V CB -0.521 30.948 31.823 -0.589 0.000 0.681 131 V HN 0.456 nan 8.190 nan 0.000 0.462 132 E N 1.051 121.223 120.200 -0.047 0.000 2.204 132 E HA -0.107 4.244 4.350 0.003 0.000 0.195 132 E C 1.945 178.554 176.600 0.016 0.000 0.990 132 E CA 1.409 57.809 56.400 -0.001 0.000 0.821 132 E CB -0.318 29.370 29.700 -0.019 0.000 0.750 132 E HN 0.714 nan 8.360 nan 0.000 0.477 133 A N 0.641 123.466 122.820 0.009 0.000 2.348 133 A HA 0.222 4.544 4.320 0.003 0.000 0.224 133 A C 1.019 178.624 177.584 0.035 0.000 1.227 133 A CA -0.255 51.792 52.037 0.017 0.000 0.885 133 A CB 0.077 19.083 19.000 0.010 0.000 0.933 133 A HN 0.034 nan 8.150 nan 0.000 0.506 134 L N 0.217 121.480 121.223 0.066 0.000 2.417 134 L HA 0.213 4.555 4.340 0.003 0.000 0.268 134 L C -1.091 175.816 176.870 0.061 0.000 1.158 134 L CA -1.575 53.319 54.840 0.090 0.000 0.819 134 L CB 0.883 43.061 42.059 0.199 0.000 1.112 134 L HN 0.138 nan 8.230 nan 0.000 0.458 135 P HA -0.027 nan 4.420 nan 0.000 0.213 135 P C 0.221 177.524 177.300 0.005 0.000 1.169 135 P CA 0.555 63.668 63.100 0.021 0.000 0.885 135 P CB 0.296 32.007 31.700 0.018 0.000 0.779 136 S N 0.540 116.246 115.700 0.010 0.000 2.543 136 S HA 0.187 4.659 4.470 0.003 0.000 0.299 136 S C 0.024 174.577 174.600 -0.079 0.000 1.125 136 S CA -0.577 57.607 58.200 -0.025 0.000 1.098 136 S CB -0.463 62.733 63.200 -0.007 0.000 1.063 136 S HN 0.152 nan 8.310 nan 0.000 0.493 151 E N 1.838 122.113 120.200 0.125 0.000 2.072 151 E HA 0.127 4.479 4.350 0.003 0.000 0.190 151 E C 1.511 178.185 176.600 0.123 0.000 0.982 151 E CA 1.104 57.566 56.400 0.103 0.000 0.803 151 E CB -0.258 29.485 29.700 0.071 0.000 0.755 151 E HN 0.431 nan 8.360 nan 0.000 0.453 152 L N 0.267 121.569 121.223 0.131 0.000 2.275 152 L HA -0.169 4.173 4.340 0.003 0.000 0.215 152 L C 2.314 179.323 176.870 0.231 0.000 1.119 152 L CA 0.761 55.683 54.840 0.138 0.000 0.790 152 L CB -0.137 41.981 42.059 0.100 0.000 0.919 152 L HN 0.164 nan 8.230 nan 0.000 0.443 153 Y N 0.601 120.941 120.300 0.067 0.000 2.448 153 Y HA -0.097 4.455 4.550 0.003 0.000 0.289 153 Y C 2.294 178.262 175.900 0.113 0.000 1.114 153 Y CA 1.004 59.147 58.100 0.072 0.000 1.235 153 Y CB -0.273 38.223 38.460 0.061 0.000 1.045 153 Y HN 0.414 nan 8.280 nan 0.000 0.554 154 N N 0.451 119.220 118.700 0.115 0.000 2.354 154 N HA -0.149 4.592 4.740 0.003 0.000 0.179 154 N C 0.806 176.365 175.510 0.082 0.000 1.021 154 N CA 1.555 54.667 53.050 0.103 0.000 0.887 154 N CB -1.027 37.568 38.487 0.180 0.000 0.974 154 N HN 0.319 nan 8.380 nan 0.000 0.437 155 N N -0.030 118.727 118.700 0.094 0.000 2.467 155 N HA 0.118 4.860 4.740 0.003 0.000 0.184 155 N C 1.299 176.863 175.510 0.090 0.000 1.106 155 N CA 0.808 53.909 53.050 0.086 0.000 0.892 155 N CB -0.347 38.188 38.487 0.079 0.000 0.969 155 N HN 0.396 nan 8.380 nan 0.000 0.454 156 A N 0.902 123.794 122.820 0.120 0.000 1.903 156 A HA 0.045 4.367 4.320 0.003 0.000 0.213 156 A C 2.288 179.917 177.584 0.075 0.000 1.185 156 A CA 1.316 53.438 52.037 0.143 0.000 0.628 156 A CB -0.890 18.288 19.000 0.297 0.000 0.830 156 A HN 0.228 nan 8.150 nan 0.000 0.446 157 V N -1.000 118.888 119.914 -0.043 0.000 2.407 157 V HA -0.279 3.843 4.120 0.003 0.000 0.248 157 V C 1.823 177.931 176.094 0.023 0.000 1.055 157 V CA 2.817 65.065 62.300 -0.087 0.000 1.049 157 V CB -1.160 30.507 31.823 -0.260 0.000 0.662 157 V HN 0.483 nan 8.190 nan 0.000 0.455 158 D N 1.026 121.459 120.400 0.055 0.000 2.103 158 D HA -0.168 4.474 4.640 0.003 0.000 0.190 158 D C 2.276 178.617 176.300 0.069 0.000 0.997 158 D CA 2.092 56.142 54.000 0.083 0.000 0.833 158 D CB -0.234 40.615 40.800 0.082 0.000 0.961 158 D HN 0.505 nan 8.370 nan 0.000 0.447 159 S N -0.922 114.815 115.700 0.060 0.000 2.469 159 S HA -0.108 4.364 4.470 0.003 0.000 0.238 159 S C 1.828 176.454 174.600 0.042 0.000 0.998 159 S CA 0.184 58.414 58.200 0.050 0.000 0.957 159 S CB 0.017 63.247 63.200 0.051 0.000 0.764 159 S HN 0.149 nan 8.310 nan 0.000 0.514 160 V N 2.167 122.108 119.914 0.045 0.000 2.951 160 V HA 0.065 4.187 4.120 0.003 0.000 0.255 160 V C -2.060 174.051 176.094 0.029 0.000 1.088 160 V CA 0.095 62.417 62.300 0.037 0.000 1.109 160 V CB -0.580 31.266 31.823 0.039 0.000 0.724 160 V HN 0.324 nan 8.190 nan 0.000 0.471 161 P HA 0.178 nan 4.420 nan 0.000 0.286 161 P C -0.359 176.913 177.300 -0.047 0.000 1.269 161 P CA 0.236 63.335 63.100 -0.002 0.000 0.787 161 P CB 0.867 32.595 31.700 0.047 0.000 0.920 162 T N 1.029 115.530 114.554 -0.089 0.000 2.855 162 T HA 0.078 4.429 4.350 0.003 0.000 0.290 162 T C 1.085 175.719 174.700 -0.110 0.000 0.941 162 T CA -0.024 62.029 62.100 -0.079 0.000 1.030 162 T CB -0.909 67.913 68.868 -0.077 0.000 0.935 162 T HN 0.222 nan 8.240 nan 0.000 0.564 163 S N 3.561 119.221 115.700 -0.067 0.000 2.520 163 S HA -0.154 4.318 4.470 0.003 0.000 0.249 163 S C 1.682 176.241 174.600 -0.069 0.000 0.983 163 S CA 1.071 59.237 58.200 -0.056 0.000 0.958 163 S CB -0.363 62.838 63.200 0.001 0.000 0.750 163 S HN 0.982 nan 8.310 nan 0.000 0.527 164 Q N 1.490 121.239 119.800 -0.084 0.000 2.383 164 Q HA 0.119 4.461 4.340 0.003 0.000 0.210 164 Q C -0.310 175.593 176.000 -0.162 0.000 0.891 164 Q CA -0.014 55.733 55.803 -0.094 0.000 0.985 164 Q CB -0.753 27.939 28.738 -0.076 0.000 1.409 164 Q HN 0.414 nan 8.270 nan 0.000 0.391 165 L N 0.643 121.728 121.223 -0.229 0.000 2.464 165 L HA 0.174 4.516 4.340 0.003 0.000 0.264 165 L C 0.335 176.951 176.870 -0.424 0.000 1.199 165 L CA -0.561 54.032 54.840 -0.413 0.000 0.818 165 L CB 0.258 41.958 42.059 -0.597 0.000 1.102 165 L HN 0.248 nan 8.230 nan 0.000 0.473 166 N N 0.297 118.703 118.700 -0.491 0.000 2.678 166 N HA 0.249 4.991 4.740 0.003 0.000 0.231 166 N C -1.689 173.637 175.510 -0.307 0.000 1.038 166 N CA -0.219 52.648 53.050 -0.305 0.000 0.932 166 N CB 0.098 38.484 38.487 -0.169 0.000 1.176 166 N HN 0.252 nan 8.380 nan 0.000 0.511 167 Y N 0.942 121.230 120.300 -0.021 0.000 2.334 167 Y HA 0.254 4.806 4.550 0.003 0.000 0.336 167 Y C 1.074 176.955 175.900 -0.032 0.000 0.960 167 Y CA -1.189 56.894 58.100 -0.028 0.000 1.164 167 Y CB 0.745 39.167 38.460 -0.062 0.000 1.155 167 Y HN 0.326 nan 8.280 nan 0.000 0.478 168 T N -0.974 113.662 114.554 0.137 0.000 2.724 168 T HA 0.006 4.358 4.350 0.003 0.000 0.324 168 T C 1.154 175.878 174.700 0.040 0.000 1.071 168 T CA -0.463 61.675 62.100 0.064 0.000 1.061 168 T CB 0.858 69.753 68.868 0.044 0.000 0.990 168 T HN 0.558 nan 8.240 nan 0.000 0.543 169 E N 0.656 120.863 120.200 0.013 0.000 2.110 169 E HA -0.097 4.255 4.350 0.003 0.000 0.193 169 E C 1.885 178.470 176.600 -0.024 0.000 0.988 169 E CA 1.185 57.580 56.400 -0.009 0.000 0.804 169 E CB -0.483 29.209 29.700 -0.015 0.000 0.745 169 E HN 0.691 nan 8.360 nan 0.000 0.458 170 D N 0.806 121.195 120.400 -0.017 0.000 2.097 170 D HA -0.142 4.500 4.640 0.003 0.000 0.195 170 D C 1.865 178.141 176.300 -0.040 0.000 0.989 170 D CA 0.935 54.920 54.000 -0.024 0.000 0.827 170 D CB -0.156 40.637 40.800 -0.012 0.000 0.966 170 D HN 0.265 nan 8.370 nan 0.000 0.456 171 E N 0.213 120.390 120.200 -0.038 0.000 2.110 171 E HA -0.148 4.204 4.350 0.003 0.000 0.193 171 E C 1.879 178.334 176.600 -0.241 0.000 0.988 171 E CA 0.794 57.131 56.400 -0.105 0.000 0.804 171 E CB 0.152 29.835 29.700 -0.028 0.000 0.745 171 E HN 0.159 nan 8.360 nan 0.000 0.458 172 K N 0.279 120.582 120.400 -0.161 0.000 2.147 172 K HA -0.135 4.187 4.320 0.003 0.000 0.205 172 K C 1.962 178.497 176.600 -0.108 0.000 1.049 172 K CA 1.017 57.205 56.287 -0.165 0.000 0.936 172 K CB 0.109 32.569 32.500 -0.068 0.000 0.722 172 K HN -0.012 nan 8.250 nan 0.000 0.446 173 K N 0.603 120.958 120.400 -0.074 0.000 2.062 173 K HA -0.171 4.151 4.320 0.003 0.000 0.205 173 K C 2.085 178.699 176.600 0.023 0.000 1.051 173 K CA 1.308 57.581 56.287 -0.023 0.000 0.941 173 K CB 0.014 32.490 32.500 -0.040 0.000 0.719 173 K HN 0.207 nan 8.250 nan 0.000 0.440 174 E N 1.441 121.619 120.200 -0.036 0.000 2.118 174 E HA -0.212 4.139 4.350 0.003 0.000 0.195 174 E C 1.835 178.408 176.600 -0.044 0.000 0.992 174 E CA 1.204 57.594 56.400 -0.017 0.000 0.804 174 E CB -0.089 29.595 29.700 -0.026 0.000 0.741 174 E HN 0.261 nan 8.360 nan 0.000 0.458 175 I N 0.118 120.524 120.570 -0.274 0.000 2.315 175 I HA -0.211 3.961 4.170 0.003 0.000 0.248 175 I C 2.275 178.379 176.117 -0.022 0.000 1.117 175 I CA 0.943 62.008 61.300 -0.391 0.000 1.404 175 I CB -0.347 37.182 38.000 -0.784 0.000 1.071 175 I HN 0.214 nan 8.210 nan 0.000 0.419 176 Y N 1.535 121.780 120.300 -0.091 0.000 2.145 176 Y HA -0.233 4.319 4.550 0.003 0.000 0.286 176 Y C 2.310 178.215 175.900 0.008 0.000 1.145 176 Y CA 1.690 59.773 58.100 -0.028 0.000 1.148 176 Y CB -0.127 38.309 38.460 -0.041 0.000 0.981 176 Y HN 0.000 nan 8.280 nan 0.000 0.507 177 L N -1.263 120.030 121.223 0.117 0.000 2.056 177 L HA -0.194 4.148 4.340 0.003 0.000 0.207 177 L C 2.378 179.220 176.870 -0.047 0.000 1.078 177 L CA 1.521 56.374 54.840 0.023 0.000 0.749 177 L CB -0.730 41.371 42.059 0.070 0.000 0.901 177 L HN 0.327 nan 8.230 nan 0.000 0.433 178 F N 0.550 120.451 119.950 -0.083 0.000 2.126 178 F HA -0.268 4.261 4.527 0.003 0.000 0.299 178 F C 2.585 178.331 175.800 -0.091 0.000 1.096 178 F CA 1.817 59.781 58.000 -0.060 0.000 1.255 178 F CB -0.115 38.933 39.000 0.081 0.000 0.997 178 F HN -0.052 nan 8.300 nan 0.000 0.479 179 S N 0.290 116.038 115.700 0.081 0.000 2.359 179 S HA -0.234 4.238 4.470 0.003 0.000 0.224 179 S C 1.883 176.344 174.600 -0.230 0.000 1.035 179 S CA 1.413 59.575 58.200 -0.062 0.000 1.018 179 S CB -0.416 62.740 63.200 -0.073 0.000 0.876 179 S HN 0.500 nan 8.310 nan 0.000 0.448 180 Q N 0.680 120.304 119.800 -0.293 0.000 2.084 180 Q HA -0.004 4.338 4.340 0.003 0.000 0.202 180 Q C 2.310 178.190 176.000 -0.200 0.000 0.978 180 Q CA 0.982 56.636 55.803 -0.248 0.000 0.844 180 Q CB -0.538 28.052 28.738 -0.247 0.000 0.898 180 Q HN 0.514 nan 8.270 nan 0.000 0.426 181 L N 0.639 121.674 121.223 -0.313 0.000 2.056 181 L HA -0.156 4.186 4.340 0.003 0.000 0.207 181 L C 2.164 178.910 176.870 -0.206 0.000 1.078 181 L CA 1.045 55.668 54.840 -0.361 0.000 0.749 181 L CB -0.514 41.094 42.059 -0.751 0.000 0.901 181 L HN 0.173 nan 8.230 nan 0.000 0.433 182 N N 0.319 118.776 118.700 -0.406 0.000 2.289 182 N HA -0.132 4.610 4.740 0.003 0.000 0.184 182 N C 1.610 177.028 175.510 -0.152 0.000 1.016 182 N CA 1.155 53.994 53.050 -0.352 0.000 0.872 182 N CB 0.011 38.179 38.487 -0.532 0.000 0.973 182 N HN 0.307 nan 8.380 nan 0.000 0.433 183 A N -0.560 122.191 122.820 -0.115 0.000 2.206 183 A HA 0.161 4.483 4.320 0.003 0.000 0.211 183 A C 0.451 178.020 177.584 -0.025 0.000 1.158 183 A CA 0.047 52.048 52.037 -0.059 0.000 0.761 183 A CB 0.048 19.012 19.000 -0.059 0.000 0.801 183 A HN 0.043 nan 8.150 nan 0.000 0.473 184 V N 0.629 120.543 119.914 -0.000 0.000 2.498 184 V HA 0.482 4.604 4.120 0.003 0.000 0.279 184 V C 1.122 177.196 176.094 -0.034 0.000 1.048 184 V CA -0.313 61.994 62.300 0.012 0.000 0.967 184 V CB 0.912 32.786 31.823 0.084 0.000 0.988 184 V HN 0.396 nan 8.190 nan 0.000 0.473 185 G N 3.282 112.056 108.800 -0.043 0.000 2.572 185 G HA2 0.155 4.117 3.960 0.003 0.000 0.261 185 G HA3 0.155 4.117 3.960 0.003 0.000 0.261 185 G C 0.032 174.852 174.900 -0.133 0.000 1.197 185 G CA -0.648 44.413 45.100 -0.063 0.000 0.870 185 G HN 0.693 nan 8.290 nan 0.000 0.548 186 N N 0.066 118.649 118.700 -0.194 0.000 2.411 186 N HA 0.008 4.750 4.740 0.003 0.000 0.261 186 N C 0.484 175.773 175.510 -0.370 0.000 1.248 186 N CA 0.490 53.264 53.050 -0.460 0.000 0.885 186 N CB -0.168 37.974 38.487 -0.576 0.000 1.062 186 N HN 0.580 nan 8.380 nan 0.000 0.471 187 F N -2.856 117.033 119.950 -0.101 0.000 2.666 187 F HA -0.339 4.190 4.527 0.003 0.000 0.458 187 F C 1.068 176.805 175.800 -0.104 0.000 0.561 187 F CA 0.726 58.665 58.000 -0.102 0.000 1.129 187 F CB -1.619 37.336 39.000 -0.076 0.000 1.751 187 F HN 0.522 nan 8.300 nan 0.000 0.275 188 A N 0.151 122.976 122.820 0.007 0.000 2.310 188 A HA 0.665 4.987 4.320 0.003 0.000 0.260 188 A C 0.521 178.065 177.584 -0.067 0.000 1.112 188 A CA 0.828 52.858 52.037 -0.012 0.000 0.804 188 A CB 0.367 19.358 19.000 -0.014 0.000 1.081 188 A HN 0.204 nan 8.150 nan 0.000 0.499 189 T N 0.122 114.654 114.554 -0.037 0.000 2.965 189 T HA 0.588 4.939 4.350 0.003 0.000 0.306 189 T C 0.024 174.727 174.700 0.005 0.000 0.991 189 T CA 0.199 62.275 62.100 -0.040 0.000 1.001 189 T CB 1.240 70.094 68.868 -0.023 0.000 0.984 189 T HN 1.141 nan 8.240 nan 0.000 0.446 190 G N 1.464 110.280 108.800 0.027 0.000 2.511 190 G HA2 0.621 4.582 3.960 0.003 0.000 0.318 190 G HA3 0.621 4.582 3.960 0.003 0.000 0.318 190 G C -0.541 174.403 174.900 0.073 0.000 1.210 190 G CA -0.507 44.625 45.100 0.053 0.000 0.969 190 G HN 0.537 nan 8.290 nan 0.000 0.484 191 T N 1.204 115.795 114.554 0.063 0.000 2.856 191 T HA 0.330 4.682 4.350 0.003 0.000 0.292 191 T C 0.113 174.842 174.700 0.049 0.000 0.980 191 T CA -0.087 62.047 62.100 0.058 0.000 1.091 191 T CB 0.685 69.586 68.868 0.056 0.000 0.936 191 T HN 0.146 nan 8.240 nan 0.000 0.503 192 I N 3.604 124.202 120.570 0.047 0.000 2.313 192 I HA 0.310 4.482 4.170 0.003 0.000 0.286 192 I C 0.899 177.049 176.117 0.054 0.000 1.091 192 I CA -1.285 60.032 61.300 0.029 0.000 1.216 192 I CB -0.501 37.508 38.000 0.016 0.000 1.434 192 I HN 0.659 nan 8.210 nan 0.000 0.487 193 A N 5.726 128.588 122.820 0.069 0.000 2.548 193 A HA 0.457 4.779 4.320 0.003 0.000 0.247 193 A C 0.799 178.492 177.584 0.183 0.000 1.067 193 A CA 0.372 52.480 52.037 0.118 0.000 0.757 193 A CB -0.169 18.915 19.000 0.140 0.000 0.996 193 A HN 0.791 nan 8.150 nan 0.000 0.504 194 T N -0.222 114.399 114.554 0.113 0.000 2.754 194 T HA 0.548 4.900 4.350 0.003 0.000 0.296 194 T C -0.822 173.898 174.700 0.032 0.000 1.205 194 T CA -0.937 61.211 62.100 0.081 0.000 1.009 194 T CB 0.699 69.606 68.868 0.065 0.000 1.368 194 T HN 0.436 nan 8.240 nan 0.000 0.509 195 D N 2.194 122.595 120.400 0.002 0.000 2.400 195 D HA 0.330 4.972 4.640 0.003 0.000 0.238 195 D C -2.255 174.047 176.300 0.004 0.000 1.157 195 D CA -0.928 53.068 54.000 -0.007 0.000 0.889 195 D CB -0.063 40.725 40.800 -0.020 0.000 1.199 195 D HN 0.334 nan 8.370 nan 0.000 0.436 196 P HA -0.027 nan 4.420 nan 0.000 0.260 196 P C -0.480 176.821 177.300 0.002 0.000 1.172 196 P CA 0.387 63.487 63.100 0.001 0.000 0.760 196 P CB 0.248 31.947 31.700 -0.001 0.000 0.773 197 L N 3.240 124.464 121.223 0.001 0.000 2.276 197 L HA 0.316 4.658 4.340 0.003 0.000 0.286 197 L C 1.206 178.074 176.870 -0.003 0.000 1.061 197 L CA -0.959 53.883 54.840 0.003 0.000 0.807 197 L CB 0.365 42.427 42.059 0.005 0.000 1.177 197 L HN 0.372 nan 8.230 nan 0.000 0.429 198 N N 1.022 119.723 118.700 0.001 0.000 2.347 198 N HA -0.013 4.729 4.740 0.003 0.000 0.253 198 N C 0.506 176.015 175.510 -0.003 0.000 1.274 198 N CA -0.441 52.608 53.050 -0.001 0.000 0.941 198 N CB 0.400 38.888 38.487 0.001 0.000 1.200 198 N HN 0.631 nan 8.380 nan 0.000 0.514 199 D N -1.620 118.777 120.400 -0.005 0.000 2.263 199 D HA -0.156 4.485 4.640 0.003 0.000 0.208 199 D C 1.336 177.634 176.300 -0.003 0.000 0.971 199 D CA 1.220 55.216 54.000 -0.008 0.000 0.867 199 D CB -0.406 40.389 40.800 -0.008 0.000 0.929 199 D HN 0.456 nan 8.370 nan 0.000 0.492 200 S N -0.275 115.427 115.700 0.003 0.000 2.371 200 S HA -0.114 4.358 4.470 0.003 0.000 0.221 200 S C 1.929 176.539 174.600 0.017 0.000 1.036 200 S CA 0.631 58.837 58.200 0.009 0.000 0.965 200 S CB -0.182 63.025 63.200 0.012 0.000 0.845 200 S HN 0.216 nan 8.310 nan 0.000 0.475 201 Q N 0.549 120.363 119.800 0.023 0.000 2.152 201 Q HA -0.088 4.254 4.340 0.003 0.000 0.206 201 Q C 2.224 178.238 176.000 0.023 0.000 0.985 201 Q CA 1.868 57.694 55.803 0.039 0.000 0.863 201 Q CB -0.408 28.354 28.738 0.039 0.000 0.904 201 Q HN 0.448 nan 8.270 nan 0.000 0.422 202 V N 0.848 120.764 119.914 0.005 0.000 2.343 202 V HA -0.289 3.833 4.120 0.003 0.000 0.247 202 V C 2.239 178.320 176.094 -0.021 0.000 1.051 202 V CA 1.807 64.100 62.300 -0.011 0.000 1.036 202 V CB -1.021 30.791 31.823 -0.018 0.000 0.654 202 V HN 0.440 nan 8.190 nan 0.000 0.451 203 A N -0.158 122.654 122.820 -0.014 0.000 1.930 203 A HA -0.133 4.189 4.320 0.003 0.000 0.217 203 A C 2.383 179.950 177.584 -0.028 0.000 1.175 203 A CA 1.925 53.952 52.037 -0.018 0.000 0.627 203 A CB -0.622 18.373 19.000 -0.009 0.000 0.815 203 A HN 0.343 nan 8.150 nan 0.000 0.443 204 V N 0.312 120.216 119.914 -0.016 0.000 2.287 204 V HA -0.300 3.822 4.120 0.003 0.000 0.248 204 V C 2.422 178.428 176.094 -0.146 0.000 1.053 204 V CA 2.166 64.447 62.300 -0.031 0.000 1.027 204 V CB -0.789 31.071 31.823 0.061 0.000 0.646 204 V HN 0.578 nan 8.190 nan 0.000 0.447 205 I N 0.532 121.015 120.570 -0.144 0.000 2.163 205 I HA -0.265 3.907 4.170 0.003 0.000 0.243 205 I C 2.737 178.752 176.117 -0.169 0.000 1.085 205 I CA 1.575 62.740 61.300 -0.225 0.000 1.347 205 I CB -0.706 37.224 38.000 -0.118 0.000 1.044 205 I HN 0.288 nan 8.210 nan 0.000 0.408 206 A N 0.875 123.636 122.820 -0.098 0.000 1.892 206 A HA -0.300 4.021 4.320 0.003 0.000 0.218 206 A C 2.492 180.029 177.584 -0.078 0.000 1.188 206 A CA 2.727 54.721 52.037 -0.072 0.000 0.631 206 A CB -1.050 17.922 19.000 -0.047 0.000 0.822 206 A HN 0.561 nan 8.150 nan 0.000 0.447 207 S N -0.012 115.639 115.700 -0.083 0.000 2.428 207 S HA -0.048 4.424 4.470 0.003 0.000 0.230 207 S C 1.347 175.896 174.600 -0.085 0.000 1.014 207 S CA 1.260 59.420 58.200 -0.067 0.000 0.957 207 S CB -0.575 62.597 63.200 -0.045 0.000 0.784 207 S HN 0.924 nan 8.310 nan 0.000 0.499 208 I N 0.724 121.202 120.570 -0.153 0.000 4.082 208 I HA 0.384 4.556 4.170 0.003 0.000 0.337 208 I C 1.675 177.703 176.117 -0.148 0.000 1.352 208 I CA 0.017 61.221 61.300 -0.160 0.000 1.097 208 I CB -0.331 37.532 38.000 -0.229 0.000 1.048 208 I HN 0.217 nan 8.210 nan 0.000 0.393 209 S N 2.295 117.917 115.700 -0.131 0.000 2.419 209 S HA -0.257 4.215 4.470 0.003 0.000 0.235 209 S C 1.865 176.442 174.600 -0.038 0.000 1.019 209 S CA 1.390 59.538 58.200 -0.087 0.000 0.982 209 S CB -0.819 62.342 63.200 -0.065 0.000 0.789 209 S HN 0.785 nan 8.310 nan 0.000 0.490 210 K N 1.504 121.885 120.400 -0.032 0.000 2.360 210 K HA -0.035 4.287 4.320 0.003 0.000 0.201 210 K C 1.441 178.041 176.600 0.000 0.000 1.046 210 K CA 1.431 57.712 56.287 -0.010 0.000 0.945 210 K CB -0.325 32.169 32.500 -0.010 0.000 0.750 210 K HN 0.464 nan 8.250 nan 0.000 0.464 211 E N 0.439 120.635 120.200 -0.006 0.000 2.481 211 E HA 0.064 4.416 4.350 0.003 0.000 0.195 211 E C 0.214 176.830 176.600 0.027 0.000 1.047 211 E CA 0.387 56.795 56.400 0.013 0.000 0.867 211 E CB 0.106 29.816 29.700 0.017 0.000 0.858 211 E HN 0.377 nan 8.360 nan 0.000 0.513 212 M N 1.182 120.798 119.600 0.026 0.000 2.746 212 M HA 0.267 4.748 4.480 0.003 0.000 0.209 212 M C -2.606 173.739 176.300 0.074 0.000 1.077 212 M CA -1.920 53.410 55.300 0.051 0.000 0.695 212 M CB 1.343 33.971 32.600 0.046 0.000 1.416 212 M HN -0.358 nan 8.290 nan 0.000 0.459 213 P HA -0.029 nan 4.420 nan 0.000 0.255 213 P C 0.954 178.317 177.300 0.105 0.000 1.161 213 P CA 1.595 64.732 63.100 0.063 0.000 0.768 213 P CB 0.385 32.113 31.700 0.046 0.000 0.746 214 G N 3.287 112.133 108.800 0.078 0.000 2.428 214 G HA2 -0.149 3.813 3.960 0.003 0.000 0.199 214 G HA3 -0.149 3.813 3.960 0.003 0.000 0.199 214 G C -0.026 174.975 174.900 0.168 0.000 1.005 214 G CA -0.551 44.584 45.100 0.058 0.000 0.671 214 G HN 0.436 nan 8.290 nan 0.000 0.485 215 I N 2.606 123.288 120.570 0.188 0.000 2.353 215 I HA 0.647 4.819 4.170 0.003 0.000 0.293 215 I C 0.601 176.756 176.117 0.064 0.000 0.992 215 I CA 0.021 61.416 61.300 0.158 0.000 1.268 215 I CB 1.051 39.115 38.000 0.107 0.000 1.387 215 I HN 0.569 nan 8.210 nan 0.000 0.478 216 S N 6.751 122.481 115.700 0.049 0.000 2.615 216 S HA 0.633 5.105 4.470 0.003 0.000 0.269 216 S C -1.053 173.550 174.600 0.005 0.000 1.161 216 S CA -0.911 57.297 58.200 0.012 0.000 0.817 216 S CB 2.071 65.274 63.200 0.005 0.000 1.131 216 S HN 0.264 nan 8.310 nan 0.000 0.467 217 I N 2.694 123.256 120.570 -0.013 0.000 2.428 217 I HA 0.700 4.872 4.170 0.003 0.000 0.296 217 I C 0.660 176.760 176.117 -0.028 0.000 0.985 217 I CA 0.160 61.447 61.300 -0.022 0.000 1.260 217 I CB 1.317 39.298 38.000 -0.032 0.000 1.389 217 I HN 1.097 nan 8.210 nan 0.000 0.484 218 S N 2.874 118.548 115.700 -0.043 0.000 2.672 218 S HA 0.622 5.094 4.470 0.003 0.000 0.271 218 S C -0.558 173.970 174.600 -0.119 0.000 1.171 218 S CA -0.744 57.419 58.200 -0.063 0.000 0.817 218 S CB 1.814 64.991 63.200 -0.038 0.000 1.150 218 S HN 0.639 nan 8.310 nan 0.000 0.478 219 T N -1.001 113.444 114.554 -0.183 0.000 2.867 219 T HA 0.791 5.143 4.350 0.003 0.000 0.282 219 T C -0.012 174.335 174.700 -0.587 0.000 1.000 219 T CA -0.439 61.455 62.100 -0.343 0.000 1.042 219 T CB 1.292 69.945 68.868 -0.357 0.000 0.973 219 T HN 0.869 nan 8.240 nan 0.000 0.465 220 S N 1.203 116.490 115.700 -0.688 0.000 2.851 220 S HA 0.765 5.237 4.470 0.003 0.000 0.313 220 S C -1.770 172.337 174.600 -0.820 0.000 1.163 220 S CA -0.920 56.848 58.200 -0.720 0.000 0.850 220 S CB 1.192 64.297 63.200 -0.158 0.000 1.245 220 S HN 0.768 nan 8.310 nan 0.000 0.558 221 W N 1.586 122.896 121.300 0.018 0.000 2.883 221 W HA 0.402 5.063 4.660 0.003 0.000 0.335 221 W C -1.363 175.167 176.519 0.017 0.000 1.083 221 W CA -0.619 56.737 57.345 0.018 0.000 1.233 221 W CB 1.519 30.990 29.460 0.018 0.000 1.412 221 W HN 0.567 nan 8.180 nan 0.000 0.490 222 D N 1.961 122.480 120.400 0.199 0.000 2.256 222 D HA 0.208 4.850 4.640 0.003 0.000 0.240 222 D C -0.099 176.284 176.300 0.138 0.000 1.062 222 D CA -0.660 53.421 54.000 0.135 0.000 0.832 222 D CB 1.778 42.624 40.800 0.076 0.000 1.135 222 D HN 0.013 nan 8.370 nan 0.000 0.484 223 R N 2.105 122.671 120.500 0.109 0.000 2.267 223 R HA 0.240 4.581 4.340 0.003 0.000 0.319 223 R C -0.537 175.796 176.300 0.053 0.000 1.067 223 R CA -0.386 55.760 56.100 0.076 0.000 0.936 223 R CB 0.262 30.596 30.300 0.056 0.000 1.006 223 R HN 0.326 nan 8.270 nan 0.000 0.452 224 K N 4.596 125.021 120.400 0.042 0.000 2.471 224 K HA 0.387 4.709 4.320 0.003 0.000 0.252 224 K C -1.169 175.439 176.600 0.013 0.000 0.938 224 K CA -0.551 55.754 56.287 0.029 0.000 0.796 224 K CB 1.178 33.697 32.500 0.032 0.000 1.161 224 K HN 0.527 nan 8.250 nan 0.000 0.425 225 I N 5.872 126.449 120.570 0.012 0.000 2.301 225 I HA 0.150 4.322 4.170 0.003 0.000 0.292 225 I C 0.144 176.263 176.117 0.002 0.000 1.046 225 I CA -0.749 60.553 61.300 0.003 0.000 1.282 225 I CB 0.581 38.588 38.000 0.012 0.000 1.409 225 I HN 0.539 nan 8.210 nan 0.000 0.484 226 L N 5.393 126.613 121.223 -0.005 0.000 2.472 226 L HA 0.046 4.388 4.340 0.003 0.000 0.273 226 L C 0.902 177.771 176.870 -0.000 0.000 1.254 226 L CA 0.127 54.967 54.840 -0.001 0.000 0.823 226 L CB 0.083 42.140 42.059 -0.004 0.000 1.096 226 L HN 0.591 nan 8.230 nan 0.000 0.521 227 E N 0.723 120.923 120.200 0.001 0.000 1.996 227 E HA 0.153 4.505 4.350 0.003 0.000 0.280 227 E C -0.612 175.986 176.600 -0.002 0.000 1.092 227 E CA -0.209 56.191 56.400 -0.000 0.000 0.862 227 E CB 0.471 30.171 29.700 0.000 0.000 1.066 227 E HN 0.609 nan 8.360 nan 0.000 0.396 228 T N -0.500 114.052 114.554 -0.005 0.000 2.838 228 T HA 0.221 4.572 4.350 0.003 0.000 0.292 228 T C 0.917 175.610 174.700 -0.011 0.000 1.113 228 T CA -0.296 61.800 62.100 -0.006 0.000 1.008 228 T CB 1.299 70.166 68.868 -0.002 0.000 1.259 228 T HN 0.173 nan 8.240 nan 0.000 0.520 229 S N 0.036 115.728 115.700 -0.014 0.000 2.607 229 S HA 0.132 4.604 4.470 0.003 0.000 0.224 229 S C 1.295 175.883 174.600 -0.020 0.000 0.969 229 S CA 0.038 58.225 58.200 -0.022 0.000 0.927 229 S CB -0.693 62.489 63.200 -0.030 0.000 0.772 229 S HN 0.617 nan 8.310 nan 0.000 0.533 230 L N 1.851 123.067 121.223 -0.012 0.000 2.728 230 L HA 0.225 4.567 4.340 0.003 0.000 0.238 230 L C 2.174 179.034 176.870 -0.017 0.000 1.143 230 L CA 0.357 55.189 54.840 -0.013 0.000 0.937 230 L CB -0.058 42.002 42.059 0.002 0.000 1.225 230 L HN 0.442 nan 8.230 nan 0.000 0.507 231 S N -0.902 114.789 115.700 -0.015 0.000 2.423 231 S HA -0.159 4.312 4.470 0.003 0.000 0.231 231 S C 2.111 176.705 174.600 -0.009 0.000 1.014 231 S CA 1.172 59.367 58.200 -0.008 0.000 0.965 231 S CB -0.279 62.919 63.200 -0.004 0.000 0.785 231 S HN 0.519 nan 8.310 nan 0.000 0.495 232 S N 1.572 117.252 115.700 -0.033 0.000 2.436 232 S HA 0.169 4.641 4.470 0.003 0.000 0.228 232 S C 1.699 176.212 174.600 -0.145 0.000 1.014 232 S CA 0.601 58.762 58.200 -0.065 0.000 0.950 232 S CB -0.693 62.458 63.200 -0.082 0.000 0.784 232 S HN 0.531 nan 8.310 nan 0.000 0.504 233 I N 1.110 121.606 120.570 -0.122 0.000 3.030 233 I HA 0.016 4.188 4.170 0.003 0.000 0.270 233 I C 2.196 178.314 176.117 0.002 0.000 1.211 233 I CA 0.219 61.436 61.300 -0.139 0.000 1.479 233 I CB -0.102 37.850 38.000 -0.081 0.000 1.105 233 I HN 0.140 nan 8.210 nan 0.000 0.447 234 V N 0.929 120.860 119.914 0.027 0.000 2.287 234 V HA -0.120 4.002 4.120 0.003 0.000 0.248 234 V C 1.371 177.546 176.094 0.136 0.000 1.053 234 V CA 1.641 63.982 62.300 0.068 0.000 1.027 234 V CB -1.415 30.427 31.823 0.032 0.000 0.646 234 V HN 0.696 nan 8.190 nan 0.000 0.447 235 G N -0.049 108.851 108.800 0.167 0.000 2.627 235 G HA2 -0.103 3.858 3.960 0.003 0.000 0.214 235 G HA3 -0.103 3.858 3.960 0.003 0.000 0.214 235 G C -0.185 174.796 174.900 0.134 0.000 1.331 235 G CA -0.161 45.085 45.100 0.243 0.000 0.891 235 G HN 1.324 nan 8.290 nan 0.000 0.539 236 S N -1.688 114.075 115.700 0.106 0.000 2.566 236 S HA 0.819 5.291 4.470 0.003 0.000 0.298 236 S C -0.468 174.158 174.600 0.043 0.000 1.083 236 S CA -0.159 58.079 58.200 0.064 0.000 0.978 236 S CB 2.289 65.522 63.200 0.055 0.000 1.073 236 S HN 1.695 nan 8.310 nan 0.000 0.491 237 V N 2.657 122.591 119.914 0.034 0.000 2.547 237 V HA 0.614 4.736 4.120 0.003 0.000 0.299 237 V C 0.845 176.946 176.094 0.012 0.000 1.040 237 V CA -0.665 61.648 62.300 0.021 0.000 0.913 237 V CB 1.550 33.388 31.823 0.025 0.000 0.992 237 V HN 1.164 nan 8.190 nan 0.000 0.449 238 S N 3.870 119.565 115.700 -0.008 0.000 2.569 238 S HA 0.160 4.632 4.470 0.003 0.000 0.274 238 S C 0.337 174.940 174.600 0.005 0.000 1.353 238 S CA -0.346 57.845 58.200 -0.015 0.000 1.023 238 S CB 0.410 63.578 63.200 -0.054 0.000 0.876 238 S HN 0.786 nan 8.310 nan 0.000 0.540 239 S N 1.352 117.058 115.700 0.009 0.000 2.632 239 S HA 0.227 4.699 4.470 0.003 0.000 0.267 239 S C 1.121 175.738 174.600 0.029 0.000 1.276 239 S CA -0.856 57.359 58.200 0.026 0.000 0.998 239 S CB 0.691 63.908 63.200 0.028 0.000 0.953 239 S HN 0.833 nan 8.310 nan 0.000 0.547 240 E N 0.790 121.017 120.200 0.044 0.000 2.208 240 E HA -0.090 4.261 4.350 0.003 0.000 0.193 240 E C 1.524 178.148 176.600 0.041 0.000 0.988 240 E CA 0.736 57.165 56.400 0.048 0.000 0.828 240 E CB 0.018 29.755 29.700 0.062 0.000 0.763 240 E HN 0.499 nan 8.360 nan 0.000 0.478 241 K N 0.507 120.935 120.400 0.047 0.000 2.044 241 K HA 0.015 4.337 4.320 0.003 0.000 0.204 241 K C 2.160 178.778 176.600 0.030 0.000 1.049 241 K CA 0.885 57.203 56.287 0.051 0.000 0.945 241 K CB -0.037 32.508 32.500 0.075 0.000 0.724 241 K HN -0.032 nan 8.250 nan 0.000 0.440 242 A N 1.462 124.296 122.820 0.023 0.000 2.067 242 A HA 0.047 4.369 4.320 0.003 0.000 0.219 242 A C 1.388 178.968 177.584 -0.007 0.000 1.158 242 A CA 1.357 53.399 52.037 0.009 0.000 0.661 242 A CB -0.948 18.054 19.000 0.004 0.000 0.801 242 A HN 0.448 nan 8.150 nan 0.000 0.452 243 G N -0.689 108.107 108.800 -0.007 0.000 2.627 243 G HA2 -0.235 3.727 3.960 0.003 0.000 0.312 243 G HA3 -0.235 3.727 3.960 0.003 0.000 0.312 243 G C 0.008 174.871 174.900 -0.061 0.000 1.299 243 G CA 0.259 45.346 45.100 -0.021 0.000 0.989 243 G HN 0.726 nan 8.290 nan 0.000 0.547 244 L N 3.039 124.211 121.223 -0.085 0.000 2.485 244 L HA 0.365 4.707 4.340 0.003 0.000 0.275 244 L C -1.423 175.384 176.870 -0.104 0.000 1.207 244 L CA -0.638 54.103 54.840 -0.165 0.000 0.855 244 L CB 0.124 42.090 42.059 -0.155 0.000 1.114 244 L HN 0.339 nan 8.230 nan 0.000 0.485 245 P HA 0.066 nan 4.420 nan 0.000 0.268 245 P C -0.406 176.894 177.300 0.000 0.000 1.204 245 P CA -0.023 63.052 63.100 -0.041 0.000 0.768 245 P CB 0.674 32.360 31.700 -0.023 0.000 0.842 246 A N 3.124 125.949 122.820 0.009 0.000 2.259 246 A HA -0.020 4.302 4.320 0.003 0.000 0.208 246 A C 1.159 178.760 177.584 0.028 0.000 1.201 246 A CA 0.648 52.697 52.037 0.020 0.000 0.824 246 A CB -0.594 18.415 19.000 0.016 0.000 0.838 246 A HN 0.537 nan 8.150 nan 0.000 0.485 247 E N 0.262 120.481 120.200 0.032 0.000 2.415 247 E HA 0.022 4.374 4.350 0.003 0.000 0.197 247 E C 0.434 177.057 176.600 0.038 0.000 1.007 247 E CA 0.770 57.187 56.400 0.028 0.000 0.890 247 E CB 0.196 29.907 29.700 0.019 0.000 0.891 247 E HN 0.761 nan 8.360 nan 0.000 0.496 248 E N -0.016 120.230 120.200 0.078 0.000 3.029 248 E HA 0.342 4.694 4.350 0.003 0.000 0.196 248 E C 0.737 177.447 176.600 0.183 0.000 0.973 248 E CA 0.072 56.528 56.400 0.094 0.000 1.242 248 E CB 0.981 30.744 29.700 0.106 0.000 1.056 248 E HN 0.158 nan 8.360 nan 0.000 0.469 249 A N 1.270 124.168 122.820 0.130 0.000 2.019 249 A HA -0.185 4.137 4.320 0.003 0.000 0.219 249 A C 2.026 179.678 177.584 0.113 0.000 1.164 249 A CA 1.105 53.218 52.037 0.128 0.000 0.644 249 A CB -0.078 18.962 19.000 0.068 0.000 0.805 249 A HN 0.038 nan 8.150 nan 0.000 0.449 250 E N 0.535 120.776 120.200 0.067 0.000 2.028 250 E HA -0.118 4.234 4.350 0.003 0.000 0.191 250 E C 2.435 179.046 176.600 0.018 0.000 0.988 250 E CA 1.611 58.035 56.400 0.040 0.000 0.799 250 E CB -0.629 29.081 29.700 0.016 0.000 0.755 250 E HN 0.735 nan 8.360 nan 0.000 0.447 251 S N -0.255 115.418 115.700 -0.045 0.000 2.474 251 S HA -0.100 4.372 4.470 0.003 0.000 0.235 251 S C 1.810 176.271 174.600 -0.231 0.000 0.997 251 S CA 0.654 58.758 58.200 -0.160 0.000 0.949 251 S CB -0.338 62.707 63.200 -0.259 0.000 0.766 251 S HN 0.193 nan 8.310 nan 0.000 0.517 252 Y N 1.326 121.584 120.300 -0.070 0.000 2.239 252 Y HA 0.373 4.925 4.550 0.003 0.000 0.293 252 Y C 2.208 178.161 175.900 0.089 0.000 1.126 252 Y CA 0.083 58.115 58.100 -0.113 0.000 1.128 252 Y CB -0.547 37.751 38.460 -0.270 0.000 1.066 252 Y HN 0.104 nan 8.280 nan 0.000 0.516 253 L N 0.279 121.648 121.223 0.243 0.000 2.189 253 L HA -0.293 4.049 4.340 0.003 0.000 0.214 253 L C 2.342 179.300 176.870 0.146 0.000 1.097 253 L CA 1.512 56.463 54.840 0.186 0.000 0.764 253 L CB -0.425 41.707 42.059 0.121 0.000 0.900 253 L HN 0.236 nan 8.230 nan 0.000 0.436 254 K N 0.290 120.758 120.400 0.113 0.000 2.031 254 K HA -0.138 4.184 4.320 0.003 0.000 0.205 254 K C 2.114 178.771 176.600 0.096 0.000 1.049 254 K CA 1.046 57.378 56.287 0.074 0.000 0.939 254 K CB 0.089 32.607 32.500 0.029 0.000 0.717 254 K HN 0.220 nan 8.250 nan 0.000 0.438 255 K N -1.114 119.375 120.400 0.147 0.000 2.209 255 K HA -0.111 4.211 4.320 0.003 0.000 0.204 255 K C 1.126 177.836 176.600 0.183 0.000 1.048 255 K CA 1.257 57.661 56.287 0.196 0.000 0.940 255 K CB 0.185 32.887 32.500 0.336 0.000 0.729 255 K HN 0.473 nan 8.250 nan 0.000 0.451 256 G N -0.600 108.326 108.800 0.210 0.000 2.370 256 G HA2 -0.177 3.785 3.960 0.003 0.000 0.174 256 G HA3 -0.177 3.785 3.960 0.003 0.000 0.174 256 G C -0.193 174.754 174.900 0.079 0.000 1.002 256 G CA -0.640 44.514 45.100 0.090 0.000 0.730 256 G HN 0.143 nan 8.290 nan 0.000 0.497 257 Y N 1.614 121.962 120.300 0.080 0.000 2.385 257 Y HA 0.472 5.024 4.550 0.003 0.000 0.346 257 Y C 1.301 177.228 175.900 0.044 0.000 1.270 257 Y CA 0.999 59.141 58.100 0.070 0.000 1.472 257 Y CB 0.957 39.484 38.460 0.111 0.000 1.354 257 Y HN 0.206 nan 8.280 nan 0.000 0.611 258 S N 0.877 116.679 115.700 0.171 0.000 2.690 258 S HA 0.227 4.699 4.470 0.003 0.000 0.291 258 S C 0.378 175.031 174.600 0.089 0.000 1.138 258 S CA -0.830 57.429 58.200 0.098 0.000 1.013 258 S CB 1.086 64.317 63.200 0.053 0.000 1.053 258 S HN 0.643 nan 8.310 nan 0.000 0.539 259 L N 2.489 123.744 121.223 0.053 0.000 2.313 259 L HA 0.170 4.512 4.340 0.003 0.000 0.214 259 L C 1.537 178.412 176.870 0.010 0.000 1.119 259 L CA 1.719 56.577 54.840 0.030 0.000 0.809 259 L CB -0.925 41.149 42.059 0.025 0.000 0.933 259 L HN 0.881 nan 8.230 nan 0.000 0.449 260 N N -2.321 116.390 118.700 0.018 0.000 2.299 260 N HA -0.000 4.741 4.740 0.003 0.000 0.187 260 N C 0.120 175.641 175.510 0.019 0.000 1.099 260 N CA -0.175 52.883 53.050 0.014 0.000 0.867 260 N CB -0.643 37.857 38.487 0.021 0.000 0.974 260 N HN 0.145 nan 8.380 nan 0.000 0.477 261 D N 1.508 121.926 120.400 0.030 0.000 2.429 261 D HA -0.030 4.612 4.640 0.003 0.000 0.233 261 D C 0.073 176.374 176.300 0.002 0.000 1.202 261 D CA 0.685 54.712 54.000 0.045 0.000 0.879 261 D CB 0.711 41.588 40.800 0.128 0.000 1.212 261 D HN 0.156 nan 8.370 nan 0.000 0.465 262 R N 0.374 120.884 120.500 0.018 0.000 2.360 262 R HA 0.444 4.785 4.340 0.003 0.000 0.318 262 R C -0.491 175.799 176.300 -0.017 0.000 0.950 262 R CA -0.780 55.314 56.100 -0.009 0.000 0.837 262 R CB 1.436 31.749 30.300 0.021 0.000 1.165 262 R HN 0.262 nan 8.270 nan 0.000 0.458 263 V N -0.436 119.424 119.914 -0.090 0.000 2.994 263 V HA 0.795 4.917 4.120 0.003 0.000 0.318 263 V C 0.460 176.532 176.094 -0.037 0.000 1.085 263 V CA -0.948 61.298 62.300 -0.090 0.000 0.998 263 V CB 1.782 33.402 31.823 -0.339 0.000 1.063 263 V HN 0.720 nan 8.190 nan 0.000 0.447 264 G N 0.751 109.561 108.800 0.016 0.000 2.378 264 G HA2 0.440 4.402 3.960 0.003 0.000 0.255 264 G HA3 0.440 4.402 3.960 0.003 0.000 0.255 264 G C 0.669 175.580 174.900 0.017 0.000 1.270 264 G CA 0.411 45.530 45.100 0.032 0.000 0.876 264 G HN 1.532 nan 8.290 nan 0.000 0.521 265 T N -1.872 112.683 114.554 0.002 0.000 3.003 265 T HA 0.388 4.740 4.350 0.003 0.000 0.261 265 T C 0.820 175.483 174.700 -0.061 0.000 1.003 265 T CA 0.482 62.572 62.100 -0.017 0.000 0.917 265 T CB 0.141 68.996 68.868 -0.021 0.000 1.084 265 T HN 1.066 nan 8.240 nan 0.000 0.522 266 S N -0.497 115.165 115.700 -0.063 0.000 2.537 266 S HA 0.624 5.095 4.470 0.003 0.000 0.270 266 S C -0.416 174.131 174.600 -0.087 0.000 1.142 266 S CA -0.997 57.081 58.200 -0.205 0.000 0.870 266 S CB 1.377 64.433 63.200 -0.240 0.000 1.112 266 S HN 0.326 nan 8.310 nan 0.000 0.466 267 Y N 0.244 120.570 120.300 0.044 0.000 2.854 267 Y HA -0.414 4.138 4.550 0.003 0.000 0.466 267 Y C 1.835 177.787 175.900 0.086 0.000 1.170 267 Y CA 1.029 59.165 58.100 0.059 0.000 2.593 267 Y CB -1.308 37.185 38.460 0.055 0.000 1.203 267 Y HN 0.611 nan 8.280 nan 0.000 0.629 268 L N -0.062 121.350 121.223 0.314 0.000 2.046 268 L HA -0.185 4.157 4.340 0.003 0.000 0.208 268 L C 2.329 179.347 176.870 0.246 0.000 1.077 268 L CA 1.732 56.742 54.840 0.284 0.000 0.747 268 L CB -0.602 41.595 42.059 0.231 0.000 0.896 268 L HN 0.536 nan 8.230 nan 0.000 0.432 269 E N 0.294 120.599 120.200 0.175 0.000 2.097 269 E HA -0.290 4.062 4.350 0.003 0.000 0.196 269 E C 2.042 178.713 176.600 0.117 0.000 1.000 269 E CA 1.370 57.849 56.400 0.132 0.000 0.804 269 E CB -0.132 29.623 29.700 0.092 0.000 0.740 269 E HN 0.440 nan 8.360 nan 0.000 0.454 270 K N 0.780 121.233 120.400 0.088 0.000 1.973 270 K HA -0.231 4.091 4.320 0.003 0.000 0.210 270 K C 2.338 178.959 176.600 0.035 0.000 1.045 270 K CA 1.557 57.873 56.287 0.048 0.000 0.937 270 K CB -0.070 32.427 32.500 -0.005 0.000 0.721 270 K HN -0.129 nan 8.250 nan 0.000 0.438 271 Q N 0.015 119.829 119.800 0.024 0.000 2.062 271 Q HA -0.201 4.140 4.340 0.003 0.000 0.209 271 Q C 1.141 177.004 176.000 -0.227 0.000 0.996 271 Q CA 2.067 57.805 55.803 -0.108 0.000 0.859 271 Q CB -0.287 28.391 28.738 -0.099 0.000 0.920 271 Q HN 0.502 nan 8.270 nan 0.000 0.415 272 Y N -0.252 120.087 120.300 0.064 0.000 2.493 272 Y HA 0.122 4.674 4.550 0.003 0.000 0.275 272 Y C 1.545 177.486 175.900 0.068 0.000 1.183 272 Y CA 0.223 58.362 58.100 0.065 0.000 1.258 272 Y CB 0.088 38.591 38.460 0.072 0.000 1.108 272 Y HN 0.230 nan 8.280 nan 0.000 0.521 273 E N 1.795 122.082 120.200 0.145 0.000 2.132 273 E HA -0.354 3.998 4.350 0.003 0.000 0.218 273 E C 1.951 178.645 176.600 0.157 0.000 1.058 273 E CA 2.345 58.829 56.400 0.140 0.000 0.882 273 E CB -0.239 29.536 29.700 0.126 0.000 0.774 273 E HN 0.558 nan 8.360 nan 0.000 0.467 274 E N -0.835 119.447 120.200 0.136 0.000 2.209 274 E HA -0.162 4.190 4.350 0.003 0.000 0.196 274 E C 1.896 178.568 176.600 0.120 0.000 0.993 274 E CA 1.367 57.848 56.400 0.135 0.000 0.819 274 E CB 0.096 29.852 29.700 0.094 0.000 0.745 274 E HN 0.303 nan 8.360 nan 0.000 0.477 275 V N 0.481 120.481 119.914 0.144 0.000 2.500 275 V HA -0.149 3.973 4.120 0.003 0.000 0.243 275 V C 2.234 178.394 176.094 0.110 0.000 1.039 275 V CA 0.853 63.236 62.300 0.138 0.000 1.053 275 V CB -0.168 31.779 31.823 0.207 0.000 0.695 275 V HN 0.250 nan 8.190 nan 0.000 0.463 276 L N -0.445 120.851 121.223 0.122 0.000 2.072 276 L HA -0.033 4.309 4.340 0.003 0.000 0.205 276 L C 1.486 178.383 176.870 0.045 0.000 1.079 276 L CA 0.527 55.416 54.840 0.080 0.000 0.752 276 L CB -0.360 41.751 42.059 0.087 0.000 0.906 276 L HN 0.300 nan 8.230 nan 0.000 0.436 277 Q N 1.660 121.502 119.800 0.069 0.000 2.247 277 Q HA 0.120 4.462 4.340 0.003 0.000 0.288 277 Q C 0.285 176.279 176.000 -0.010 0.000 1.079 277 Q CA 0.329 56.160 55.803 0.046 0.000 0.932 277 Q CB 0.872 29.686 28.738 0.126 0.000 1.133 277 Q HN 0.237 nan 8.270 nan 0.000 0.377 278 G N 3.934 112.696 108.800 -0.063 0.000 2.544 278 G HA2 0.065 4.027 3.960 0.003 0.000 0.242 278 G HA3 0.065 4.027 3.960 0.003 0.000 0.242 278 G C -0.791 174.060 174.900 -0.082 0.000 1.247 278 G CA -0.587 44.459 45.100 -0.091 0.000 0.840 278 G HN 0.732 nan 8.290 nan 0.000 0.578 279 K N 1.174 121.534 120.400 -0.066 0.000 2.322 279 K HA 0.175 4.497 4.320 0.003 0.000 0.283 279 K C 0.320 176.884 176.600 -0.060 0.000 1.042 279 K CA -0.397 55.855 56.287 -0.058 0.000 0.958 279 K CB 0.473 32.951 32.500 -0.037 0.000 0.984 279 K HN 0.478 nan 8.250 nan 0.000 0.473 280 R N 4.836 125.297 120.500 -0.065 0.000 2.357 280 R HA 0.230 4.572 4.340 0.003 0.000 0.296 280 R C -2.252 174.027 176.300 -0.034 0.000 1.052 280 R CA -1.989 54.078 56.100 -0.055 0.000 0.988 280 R CB 0.572 30.829 30.300 -0.072 0.000 1.025 280 R HN 0.516 nan 8.270 nan 0.000 0.469 281 P HA 0.050 nan 4.420 nan 0.000 0.271 281 P C -0.592 176.697 177.300 -0.018 0.000 1.216 281 P CA -0.097 62.996 63.100 -0.011 0.000 0.771 281 P CB 0.796 32.500 31.700 0.006 0.000 0.864 282 V N 4.527 124.427 119.914 -0.022 0.000 2.540 282 V HA 0.393 4.514 4.120 0.003 0.000 0.302 282 V C 0.236 176.308 176.094 -0.037 0.000 1.035 282 V CA -0.487 61.795 62.300 -0.029 0.000 0.873 282 V CB 1.912 33.717 31.823 -0.030 0.000 0.992 282 V HN 0.465 nan 8.190 nan 0.000 0.428 283 K N 2.864 123.235 120.400 -0.049 0.000 2.395 283 K HA 0.691 5.013 4.320 0.003 0.000 0.247 283 K C -1.029 175.501 176.600 -0.115 0.000 0.973 283 K CA -0.884 55.358 56.287 -0.076 0.000 0.828 283 K CB 2.742 35.198 32.500 -0.073 0.000 1.272 283 K HN 0.625 nan 8.250 nan 0.000 0.439 284 E N 1.625 121.717 120.200 -0.180 0.000 2.187 284 E HA 0.328 4.679 4.350 0.003 0.000 0.268 284 E C -1.048 175.272 176.600 -0.466 0.000 0.896 284 E CA -0.870 55.353 56.400 -0.295 0.000 0.766 284 E CB 1.748 31.281 29.700 -0.278 0.000 1.142 284 E HN 0.248 nan 8.360 nan 0.000 0.408 285 I N 3.496 123.782 120.570 -0.473 0.000 2.330 285 I HA 0.127 4.299 4.170 0.003 0.000 0.289 285 I C -0.248 175.568 176.117 -0.501 0.000 1.001 285 I CA -0.483 60.523 61.300 -0.491 0.000 1.193 285 I CB 0.607 38.282 38.000 -0.541 0.000 1.345 285 I HN 0.342 nan 8.210 nan 0.000 0.461 286 H N 6.869 125.826 119.070 -0.189 0.000 2.502 286 H HA 0.596 5.153 4.556 0.003 0.000 0.327 286 H C -0.432 174.809 175.328 -0.145 0.000 1.099 286 H CA -0.393 55.565 56.048 -0.149 0.000 1.323 286 H CB 1.238 30.942 29.762 -0.095 0.000 1.450 286 H HN 0.387 nan 8.280 nan 0.000 0.502 287 L N 2.502 123.728 121.223 0.005 0.000 2.341 287 L HA 0.260 4.602 4.340 0.003 0.000 0.267 287 L C 0.438 177.299 176.870 -0.015 0.000 1.009 287 L CA -1.226 53.601 54.840 -0.022 0.000 0.819 287 L CB 1.772 43.807 42.059 -0.039 0.000 1.323 287 L HN 0.614 nan 8.230 nan 0.000 0.425 288 D N 0.366 120.753 120.400 -0.022 0.000 2.469 288 D HA 0.137 4.779 4.640 0.003 0.000 0.278 288 D C 0.734 176.965 176.300 -0.114 0.000 1.231 288 D CA -0.488 53.467 54.000 -0.075 0.000 1.075 288 D CB 0.526 41.267 40.800 -0.098 0.000 1.121 288 D HN 0.441 nan 8.370 nan 0.000 0.571 289 K N -0.869 119.391 120.400 -0.233 0.000 2.089 289 K HA -0.233 4.089 4.320 0.003 0.000 0.210 289 K C 1.832 178.345 176.600 -0.145 0.000 1.048 289 K CA 1.862 58.002 56.287 -0.245 0.000 0.926 289 K CB -0.680 31.589 32.500 -0.386 0.000 0.714 289 K HN 0.504 nan 8.250 nan 0.000 0.448 290 H N -1.110 117.976 119.070 0.026 0.000 2.548 290 H HA 0.186 4.744 4.556 0.003 0.000 0.265 290 H C 1.050 176.406 175.328 0.047 0.000 0.969 290 H CA -0.009 56.058 56.048 0.032 0.000 1.155 290 H CB 0.698 30.477 29.762 0.029 0.000 1.394 290 H HN 0.484 nan 8.280 nan 0.000 0.570 291 G N 0.987 109.861 108.800 0.123 0.000 2.141 291 G HA2 -0.246 3.716 3.960 0.003 0.000 0.242 291 G HA3 -0.246 3.716 3.960 0.003 0.000 0.242 291 G C -0.507 174.497 174.900 0.173 0.000 0.982 291 G CA 0.055 45.234 45.100 0.133 0.000 0.662 291 G HN 0.358 nan 8.290 nan 0.000 0.527 292 D N 0.527 121.017 120.400 0.151 0.000 2.339 292 D HA 0.454 5.096 4.640 0.003 0.000 0.245 292 D C 1.257 177.626 176.300 0.116 0.000 1.115 292 D CA 0.111 54.202 54.000 0.150 0.000 0.917 292 D CB 0.919 41.801 40.800 0.137 0.000 1.192 292 D HN 0.568 nan 8.370 nan 0.000 0.428 293 M N 0.088 119.770 119.600 0.138 0.000 2.200 293 M HA 0.185 4.667 4.480 0.003 0.000 0.355 293 M C 0.297 176.618 176.300 0.035 0.000 1.283 293 M CA 0.590 55.927 55.300 0.062 0.000 1.124 293 M CB 1.322 33.982 32.600 0.101 0.000 1.625 293 M HN 0.266 nan 8.290 nan 0.000 0.463 294 E N 1.940 122.147 120.200 0.012 0.000 2.121 294 E HA 0.201 4.553 4.350 0.003 0.000 0.194 294 E C -0.234 176.375 176.600 0.016 0.000 0.940 294 E CA 0.214 56.625 56.400 0.019 0.000 0.884 294 E CB 0.650 30.362 29.700 0.020 0.000 0.874 294 E HN 0.828 nan 8.360 nan 0.000 0.471 295 S N 0.639 116.353 115.700 0.022 0.000 2.537 295 S HA 0.457 4.929 4.470 0.003 0.000 0.301 295 S C -0.621 173.946 174.600 -0.055 0.000 1.092 295 S CA -0.729 57.483 58.200 0.020 0.000 1.048 295 S CB 2.361 65.627 63.200 0.110 0.000 1.053 295 S HN -0.034 nan 8.310 nan 0.000 0.501 296 V N 2.905 122.789 119.914 -0.050 0.000 2.376 296 V HA 0.483 4.604 4.120 0.003 0.000 0.287 296 V C -0.155 175.900 176.094 -0.066 0.000 1.015 296 V CA -0.618 61.631 62.300 -0.084 0.000 0.834 296 V CB 1.063 32.853 31.823 -0.055 0.000 1.001 296 V HN 0.939 nan 8.190 nan 0.000 0.428 297 E N 3.977 124.115 120.200 -0.103 0.000 2.199 297 E HA 0.385 4.737 4.350 0.003 0.000 0.265 297 E C -1.063 175.499 176.600 -0.063 0.000 0.882 297 E CA -0.773 55.592 56.400 -0.059 0.000 0.759 297 E CB 1.895 31.582 29.700 -0.022 0.000 1.148 297 E HN 0.634 nan 8.360 nan 0.000 0.412 298 N N 4.186 122.865 118.700 -0.034 0.000 2.422 298 N HA 0.235 4.977 4.740 0.003 0.000 0.264 298 N C 0.309 175.806 175.510 -0.022 0.000 1.063 298 N CA -0.044 52.989 53.050 -0.029 0.000 0.959 298 N CB 0.878 39.355 38.487 -0.016 0.000 1.087 298 N HN 0.558 nan 8.380 nan 0.000 0.483 299 I N 1.346 121.900 120.570 -0.026 0.000 3.325 299 I HA 0.102 4.274 4.170 0.003 0.000 0.237 299 I C 0.388 176.497 176.117 -0.014 0.000 1.068 299 I CA 0.218 61.507 61.300 -0.018 0.000 1.511 299 I CB 0.117 38.103 38.000 -0.023 0.000 1.409 299 I HN 0.518 nan 8.210 nan 0.000 0.464 300 E N 1.219 121.409 120.200 -0.017 0.000 2.250 300 E HA 0.317 4.669 4.350 0.003 0.000 0.269 300 E C -0.943 175.650 176.600 -0.011 0.000 1.018 300 E CA -0.350 56.042 56.400 -0.014 0.000 0.873 300 E CB 1.316 31.006 29.700 -0.017 0.000 1.134 300 E HN 0.211 nan 8.360 nan 0.000 0.403 301 E N 0.087 120.282 120.200 -0.007 0.000 2.207 301 E HA 0.411 4.763 4.350 0.003 0.000 0.270 301 E C -0.350 176.248 176.600 -0.004 0.000 0.927 301 E CA -0.727 55.671 56.400 -0.002 0.000 0.799 301 E CB 1.836 31.538 29.700 0.003 0.000 1.172 301 E HN 0.540 nan 8.360 nan 0.000 0.404 302 G N 0.571 109.371 108.800 0.001 0.000 2.562 302 G HA2 0.486 4.448 3.960 0.003 0.000 0.275 302 G HA3 0.486 4.448 3.960 0.003 0.000 0.275 302 G C -0.628 174.269 174.900 -0.004 0.000 1.196 302 G CA -0.249 44.848 45.100 -0.006 0.000 0.908 302 G HN 0.448 nan 8.290 nan 0.000 0.524 303 S N -0.872 114.814 115.700 -0.022 0.000 2.556 303 S HA 0.363 4.835 4.470 0.003 0.000 0.280 303 S C -0.792 173.776 174.600 -0.053 0.000 1.141 303 S CA -0.956 57.231 58.200 -0.021 0.000 0.883 303 S CB 1.559 64.753 63.200 -0.011 0.000 1.103 303 S HN 0.758 nan 8.310 nan 0.000 0.453 304 K N 1.498 121.865 120.400 -0.055 0.000 2.530 304 K HA 0.264 4.586 4.320 0.003 0.000 0.280 304 K C 1.078 177.647 176.600 -0.053 0.000 1.004 304 K CA 0.749 56.984 56.287 -0.086 0.000 1.071 304 K CB -0.258 32.212 32.500 -0.051 0.000 0.876 304 K HN 0.872 nan 8.250 nan 0.000 0.487 305 G N 3.399 112.159 108.800 -0.067 0.000 2.750 305 G HA2 -0.034 3.928 3.960 0.003 0.000 0.250 305 G HA3 -0.034 3.928 3.960 0.003 0.000 0.250 305 G C -0.398 174.511 174.900 0.015 0.000 1.230 305 G CA -0.451 44.636 45.100 -0.023 0.000 0.883 305 G HN 0.513 nan 8.290 nan 0.000 0.573 306 K N 0.085 120.509 120.400 0.040 0.000 2.098 306 K HA 0.205 4.526 4.320 0.003 0.000 0.257 306 K C 0.037 176.697 176.600 0.100 0.000 0.999 306 K CA -0.369 55.960 56.287 0.071 0.000 0.924 306 K CB 1.091 33.630 32.500 0.066 0.000 1.028 306 K HN 0.596 nan 8.250 nan 0.000 0.466 307 N N 0.492 119.284 118.700 0.153 0.000 2.489 307 N HA 0.478 5.220 4.740 0.003 0.000 0.284 307 N C -0.347 175.285 175.510 0.204 0.000 1.158 307 N CA -0.737 52.434 53.050 0.202 0.000 0.965 307 N CB 1.142 39.827 38.487 0.329 0.000 1.195 307 N HN 0.472 nan 8.380 nan 0.000 0.506 308 I N -2.528 118.134 120.570 0.153 0.000 2.474 308 I HA 0.527 4.699 4.170 0.003 0.000 0.294 308 I C -0.828 175.367 176.117 0.130 0.000 1.005 308 I CA -0.858 60.500 61.300 0.097 0.000 1.113 308 I CB 1.847 39.770 38.000 -0.128 0.000 1.289 308 I HN 0.314 nan 8.210 nan 0.000 0.436 309 K N 6.609 127.096 120.400 0.145 0.000 2.206 309 K HA 0.609 4.931 4.320 0.003 0.000 0.264 309 K C -0.977 175.666 176.600 0.071 0.000 0.967 309 K CA -0.689 55.636 56.287 0.062 0.000 0.844 309 K CB 1.458 33.880 32.500 -0.131 0.000 1.099 309 K HN 0.725 nan 8.250 nan 0.000 0.441 310 L N 2.426 123.680 121.223 0.052 0.000 2.454 310 L HA 0.231 4.573 4.340 0.003 0.000 0.256 310 L C 1.698 178.603 176.870 0.059 0.000 1.136 310 L CA -0.502 54.366 54.840 0.048 0.000 0.804 310 L CB 1.176 43.259 42.059 0.040 0.000 1.181 310 L HN 0.869 nan 8.230 nan 0.000 0.469 311 T N -2.657 111.922 114.554 0.042 0.000 3.081 311 T HA 0.219 4.571 4.350 0.003 0.000 0.255 311 T C 0.632 175.351 174.700 0.032 0.000 1.113 311 T CA 0.148 62.259 62.100 0.018 0.000 1.082 311 T CB -0.232 68.591 68.868 -0.075 0.000 0.939 311 T HN 0.272 nan 8.240 nan 0.000 0.506 312 I N 2.534 123.136 120.570 0.054 0.000 2.371 312 I HA 0.252 4.424 4.170 0.003 0.000 0.290 312 I C 0.040 176.231 176.117 0.124 0.000 1.028 312 I CA -0.691 60.666 61.300 0.094 0.000 1.345 312 I CB 0.894 38.947 38.000 0.088 0.000 1.407 312 I HN 0.140 nan 8.210 nan 0.000 0.501 313 D N 5.570 126.083 120.400 0.188 0.000 2.277 313 D HA 0.059 4.701 4.640 0.003 0.000 0.249 313 D C 0.779 177.192 176.300 0.189 0.000 1.134 313 D CA -0.427 53.702 54.000 0.214 0.000 0.863 313 D CB 1.663 42.660 40.800 0.329 0.000 1.143 313 D HN 0.384 nan 8.370 nan 0.000 0.458 314 L N 4.997 126.295 121.223 0.125 0.000 2.127 314 L HA -0.139 4.202 4.340 0.003 0.000 0.211 314 L C 2.199 179.100 176.870 0.051 0.000 1.089 314 L CA 1.886 56.771 54.840 0.076 0.000 0.757 314 L CB -0.493 41.599 42.059 0.054 0.000 0.899 314 L HN 0.609 nan 8.230 nan 0.000 0.434 315 A N -1.284 121.570 122.820 0.057 0.000 1.855 315 A HA -0.235 4.086 4.320 0.003 0.000 0.215 315 A C 2.229 179.776 177.584 -0.060 0.000 1.191 315 A CA 1.596 53.609 52.037 -0.039 0.000 0.613 315 A CB -1.075 17.855 19.000 -0.117 0.000 0.829 315 A HN 0.425 nan 8.150 nan 0.000 0.442 316 F N 0.738 120.601 119.950 -0.145 0.000 2.069 316 F HA -0.241 4.288 4.527 0.003 0.000 0.298 316 F C 2.500 178.297 175.800 -0.005 0.000 1.113 316 F CA 2.427 60.400 58.000 -0.045 0.000 1.214 316 F CB -0.571 38.516 39.000 0.145 0.000 0.978 316 F HN 0.349 nan 8.300 nan 0.000 0.474 317 Q N 0.556 120.359 119.800 0.006 0.000 2.096 317 Q HA -0.225 4.117 4.340 0.003 0.000 0.204 317 Q C 1.808 177.715 176.000 -0.155 0.000 0.982 317 Q CA 2.315 58.059 55.803 -0.100 0.000 0.850 317 Q CB -0.580 28.169 28.738 0.018 0.000 0.901 317 Q HN 0.405 nan 8.270 nan 0.000 0.422 318 D N -0.727 119.610 120.400 -0.104 0.000 2.117 318 D HA -0.139 4.503 4.640 0.003 0.000 0.197 318 D C 1.970 178.191 176.300 -0.132 0.000 0.987 318 D CA 1.637 55.579 54.000 -0.097 0.000 0.829 318 D CB -0.376 40.387 40.800 -0.061 0.000 0.961 318 D HN 0.462 nan 8.370 nan 0.000 0.460 319 S N -0.170 115.424 115.700 -0.176 0.000 2.402 319 S HA -0.088 4.384 4.470 0.003 0.000 0.229 319 S C 2.159 176.623 174.600 -0.226 0.000 1.021 319 S CA 0.796 58.889 58.200 -0.178 0.000 0.974 319 S CB -0.422 62.681 63.200 -0.161 0.000 0.800 319 S HN 0.074 nan 8.310 nan 0.000 0.484 320 V N 2.459 122.154 119.914 -0.365 0.000 2.379 320 V HA -0.102 4.019 4.120 0.003 0.000 0.245 320 V C 2.437 178.421 176.094 -0.182 0.000 1.044 320 V CA 1.989 64.097 62.300 -0.320 0.000 1.036 320 V CB -0.853 30.706 31.823 -0.439 0.000 0.664 320 V HN 0.409 nan 8.190 nan 0.000 0.453 321 D N 0.678 120.980 120.400 -0.164 0.000 2.149 321 D HA -0.128 4.514 4.640 0.003 0.000 0.198 321 D C 2.157 178.400 176.300 -0.094 0.000 0.990 321 D CA 1.696 55.621 54.000 -0.124 0.000 0.839 321 D CB -0.195 40.541 40.800 -0.106 0.000 0.948 321 D HN 0.457 nan 8.370 nan 0.000 0.460 322 A N 0.123 122.895 122.820 -0.081 0.000 1.970 322 A HA -0.032 4.290 4.320 0.003 0.000 0.216 322 A C 2.087 179.659 177.584 -0.019 0.000 1.170 322 A CA 0.423 52.429 52.037 -0.051 0.000 0.645 322 A CB -0.497 18.473 19.000 -0.051 0.000 0.816 322 A HN 0.180 nan 8.150 nan 0.000 0.447 323 L N -0.547 120.670 121.223 -0.010 0.000 1.989 323 L HA -0.164 4.177 4.340 0.003 0.000 0.211 323 L C 2.229 179.190 176.870 0.151 0.000 1.071 323 L CA 1.640 56.530 54.840 0.082 0.000 0.749 323 L CB -0.580 41.519 42.059 0.067 0.000 0.890 323 L HN 0.278 nan 8.230 nan 0.000 0.431 324 L N -0.165 121.079 121.223 0.035 0.000 2.013 324 L HA -0.273 4.068 4.340 0.003 0.000 0.212 324 L C 2.589 179.483 176.870 0.040 0.000 1.073 324 L CA 1.958 56.796 54.840 -0.003 0.000 0.753 324 L CB -1.165 40.811 42.059 -0.139 0.000 0.890 324 L HN 0.410 nan 8.230 nan 0.000 0.432 325 K N -1.331 119.069 120.400 -0.000 0.000 2.062 325 K HA -0.151 4.171 4.320 0.003 0.000 0.205 325 K C 2.411 179.055 176.600 0.074 0.000 1.051 325 K CA 1.329 57.625 56.287 0.015 0.000 0.941 325 K CB -0.087 32.393 32.500 -0.032 0.000 0.719 325 K HN 0.280 nan 8.250 nan 0.000 0.440 326 S N -0.235 115.492 115.700 0.046 0.000 2.359 326 S HA -0.218 4.254 4.470 0.003 0.000 0.224 326 S C 1.936 176.540 174.600 0.007 0.000 1.035 326 S CA 1.296 59.495 58.200 -0.001 0.000 1.018 326 S CB -0.561 62.607 63.200 -0.054 0.000 0.876 326 S HN 0.455 nan 8.310 nan 0.000 0.448 327 Y N 0.261 120.583 120.300 0.036 0.000 2.114 327 Y HA -0.092 4.460 4.550 0.003 0.000 0.282 327 Y C 2.192 178.163 175.900 0.118 0.000 1.165 327 Y CA 2.038 60.182 58.100 0.074 0.000 1.148 327 Y CB -0.742 37.785 38.460 0.113 0.000 0.972 327 Y HN 0.414 nan 8.280 nan 0.000 0.504 328 F N 0.652 120.686 119.950 0.141 0.000 2.113 328 F HA -0.230 4.299 4.527 0.003 0.000 0.297 328 F C 2.189 177.993 175.800 0.006 0.000 1.103 328 F CA 1.402 59.437 58.000 0.058 0.000 1.248 328 F CB -0.488 38.436 39.000 -0.126 0.000 0.999 328 F HN -0.015 nan 8.300 nan 0.000 0.475 329 N N -0.110 118.670 118.700 0.133 0.000 2.037 329 N HA -0.246 4.496 4.740 0.003 0.000 0.196 329 N C 2.169 177.642 175.510 -0.061 0.000 1.034 329 N CA 1.762 54.824 53.050 0.020 0.000 0.861 329 N CB -0.989 37.507 38.487 0.016 0.000 1.039 329 N HN 0.268 nan 8.380 nan 0.000 0.427 330 S N 0.611 116.277 115.700 -0.057 0.000 2.382 330 S HA -0.085 4.386 4.470 0.003 0.000 0.228 330 S C 1.466 176.002 174.600 -0.106 0.000 1.027 330 S CA 0.893 59.043 58.200 -0.084 0.000 0.991 330 S CB -0.040 63.100 63.200 -0.100 0.000 0.823 330 S HN 0.251 nan 8.310 nan 0.000 0.469 331 E N 0.738 120.865 120.200 -0.123 0.000 2.268 331 E HA -0.002 4.350 4.350 0.003 0.000 0.195 331 E C 1.935 178.380 176.600 -0.257 0.000 0.995 331 E CA 0.427 56.716 56.400 -0.186 0.000 0.836 331 E CB -0.183 29.403 29.700 -0.190 0.000 0.763 331 E HN 0.514 nan 8.360 nan 0.000 0.491 332 L N -0.193 120.857 121.223 -0.287 0.000 2.127 332 L HA 0.007 4.349 4.340 0.003 0.000 0.203 332 L C 2.461 179.245 176.870 -0.143 0.000 1.080 332 L CA 0.907 55.599 54.840 -0.247 0.000 0.768 332 L CB -0.630 41.285 42.059 -0.238 0.000 0.924 332 L HN 0.155 nan 8.230 nan 0.000 0.444 333 G N 1.357 110.089 108.800 -0.113 0.000 2.529 333 G HA2 -0.374 3.588 3.960 0.003 0.000 0.219 333 G HA3 -0.374 3.588 3.960 0.003 0.000 0.219 333 G C 1.188 176.040 174.900 -0.081 0.000 1.177 333 G CA 1.377 46.428 45.100 -0.082 0.000 0.773 333 G HN 0.596 nan 8.290 nan 0.000 0.573 334 N N -0.200 118.444 118.700 -0.092 0.000 2.467 334 N HA 0.293 5.034 4.740 0.003 0.000 0.184 334 N C 1.533 176.993 175.510 -0.084 0.000 1.106 334 N CA 1.424 54.424 53.050 -0.082 0.000 0.892 334 N CB 0.107 38.545 38.487 -0.082 0.000 0.969 334 N HN 0.668 nan 8.380 nan 0.000 0.454 335 G N -1.729 107.010 108.800 -0.102 0.000 2.238 335 G HA2 -0.220 3.742 3.960 0.003 0.000 0.217 335 G HA3 -0.220 3.742 3.960 0.003 0.000 0.217 335 G C 1.091 175.931 174.900 -0.099 0.000 0.996 335 G CA 0.152 45.196 45.100 -0.094 0.000 0.632 335 G HN 0.645 nan 8.290 nan 0.000 0.503 336 G N 0.957 109.687 108.800 -0.117 0.000 2.402 336 G HA2 0.272 4.234 3.960 0.003 0.000 0.216 336 G HA3 0.272 4.234 3.960 0.003 0.000 0.216 336 G C 1.738 176.576 174.900 -0.104 0.000 1.162 336 G CA 2.089 47.121 45.100 -0.114 0.000 0.777 336 G HN 1.608 nan 8.290 nan 0.000 0.539 337 A N -0.009 122.700 122.820 -0.185 0.000 2.259 337 A HA 0.285 4.607 4.320 0.003 0.000 0.208 337 A C 1.935 179.474 177.584 -0.075 0.000 1.201 337 A CA 1.149 53.072 52.037 -0.189 0.000 0.824 337 A CB -0.308 18.253 19.000 -0.732 0.000 0.838 337 A HN 0.394 nan 8.150 nan 0.000 0.485 338 K N -1.008 119.330 120.400 -0.104 0.000 2.103 338 K HA -0.172 4.150 4.320 0.003 0.000 0.207 338 K C 0.287 176.740 176.600 -0.246 0.000 1.048 338 K CA 1.661 57.816 56.287 -0.221 0.000 0.930 338 K CB -0.187 32.064 32.500 -0.416 0.000 0.716 338 K HN 0.595 nan 8.250 nan 0.000 0.444 339 Y N -0.340 120.080 120.300 0.200 0.000 2.584 339 Y HA 0.244 4.796 4.550 0.003 0.000 0.254 339 Y C 0.235 176.303 175.900 0.280 0.000 1.177 339 Y CA -0.472 57.742 58.100 0.188 0.000 1.216 339 Y CB 0.766 39.280 38.460 0.091 0.000 1.172 339 Y HN -0.119 nan 8.280 nan 0.000 0.529 340 S N 0.603 116.616 115.700 0.521 0.000 2.545 340 S HA 0.105 4.577 4.470 0.003 0.000 0.275 340 S C 0.869 175.844 174.600 0.624 0.000 1.299 340 S CA -0.479 58.086 58.200 0.610 0.000 1.048 340 S CB 0.860 64.469 63.200 0.682 0.000 0.938 340 S HN 0.415 nan 8.310 nan 0.000 0.496 341 E N 2.858 123.351 120.200 0.488 0.000 2.481 341 E HA 0.370 4.722 4.350 0.003 0.000 0.195 341 E C 0.961 177.723 176.600 0.269 0.000 1.047 341 E CA 0.491 57.104 56.400 0.355 0.000 0.867 341 E CB 0.039 29.947 29.700 0.348 0.000 0.858 341 E HN 0.814 nan 8.360 nan 0.000 0.513 342 G N -0.968 107.946 108.800 0.191 0.000 2.350 342 G HA2 0.195 4.157 3.960 0.003 0.000 0.282 342 G HA3 0.195 4.157 3.960 0.003 0.000 0.282 342 G C -1.832 172.765 174.900 -0.506 0.000 1.314 342 G CA -0.404 44.477 45.100 -0.364 0.000 0.915 342 G HN 0.203 nan 8.290 nan 0.000 0.499 343 V N -0.335 119.027 119.914 -0.920 0.000 2.841 343 V HA 0.894 5.015 4.120 0.003 0.000 0.310 343 V C -1.705 173.807 176.094 -0.970 0.000 1.090 343 V CA -0.887 60.903 62.300 -0.850 0.000 0.930 343 V CB 1.760 33.041 31.823 -0.904 0.000 1.014 343 V HN 1.014 nan 8.190 nan 0.000 0.425 344 Y N 3.695 123.802 120.300 -0.323 0.000 2.492 344 Y HA 0.868 5.420 4.550 0.003 0.000 0.346 344 Y C 0.124 175.924 175.900 -0.168 0.000 0.997 344 Y CA -0.225 57.740 58.100 -0.225 0.000 1.025 344 Y CB 2.526 40.848 38.460 -0.231 0.000 1.263 344 Y HN 0.909 nan 8.280 nan 0.000 0.454 345 A N 1.864 124.698 122.820 0.023 0.000 2.455 345 A HA 0.848 5.170 4.320 0.003 0.000 0.300 345 A C -1.969 175.635 177.584 0.032 0.000 1.040 345 A CA -0.699 51.342 52.037 0.007 0.000 0.697 345 A CB 1.299 20.277 19.000 -0.037 0.000 1.265 345 A HN 0.475 nan 8.150 nan 0.000 0.407 346 V N 1.404 121.342 119.914 0.040 0.000 2.531 346 V HA 0.748 4.869 4.120 0.003 0.000 0.301 346 V C 0.235 176.352 176.094 0.038 0.000 1.034 346 V CA -0.203 62.123 62.300 0.044 0.000 0.865 346 V CB 1.635 33.486 31.823 0.047 0.000 0.995 346 V HN 1.397 nan 8.190 nan 0.000 0.424 347 A N 6.247 129.093 122.820 0.042 0.000 2.318 347 A HA 0.940 5.262 4.320 0.003 0.000 0.324 347 A C -0.993 176.556 177.584 -0.059 0.000 1.170 347 A CA -0.468 51.572 52.037 0.004 0.000 0.810 347 A CB 0.888 19.922 19.000 0.056 0.000 1.198 347 A HN 0.776 nan 8.150 nan 0.000 0.484 348 L N 1.688 122.857 121.223 -0.091 0.000 2.354 348 L HA 0.457 4.799 4.340 0.003 0.000 0.264 348 L C -0.244 176.534 176.870 -0.153 0.000 1.008 348 L CA -1.143 53.633 54.840 -0.106 0.000 0.819 348 L CB 2.051 44.080 42.059 -0.050 0.000 1.339 348 L HN 0.759 nan 8.230 nan 0.000 0.420 349 N N 3.077 121.684 118.700 -0.155 0.000 2.408 349 N HA 0.205 4.947 4.740 0.003 0.000 0.257 349 N C -1.998 173.474 175.510 -0.064 0.000 1.064 349 N CA -1.866 51.108 53.050 -0.126 0.000 0.952 349 N CB 1.579 39.993 38.487 -0.122 0.000 1.093 349 N HN 0.283 nan 8.380 nan 0.000 0.490 350 P HA 0.005 nan 4.420 nan 0.000 0.241 350 P C 0.506 177.796 177.300 -0.017 0.000 1.191 350 P CA 0.857 63.937 63.100 -0.034 0.000 0.771 350 P CB 0.577 32.244 31.700 -0.055 0.000 0.929 351 Q N -0.514 119.283 119.800 -0.006 0.000 2.354 351 Q HA 0.005 4.347 4.340 0.003 0.000 0.203 351 Q C 1.606 177.625 176.000 0.032 0.000 0.933 351 Q CA 1.782 57.591 55.803 0.011 0.000 0.901 351 Q CB 0.033 28.782 28.738 0.019 0.000 1.007 351 Q HN 0.349 nan 8.270 nan 0.000 0.495 352 T N -7.251 107.331 114.554 0.046 0.000 3.029 352 T HA 0.321 4.672 4.350 0.003 0.000 0.256 352 T C 1.288 176.085 174.700 0.161 0.000 0.914 352 T CA 0.316 62.482 62.100 0.111 0.000 0.880 352 T CB 0.802 69.752 68.868 0.136 0.000 1.246 352 T HN 0.202 nan 8.240 nan 0.000 0.523 353 G N 1.897 110.732 108.800 0.058 0.000 2.141 353 G HA2 0.043 4.005 3.960 0.003 0.000 0.242 353 G HA3 0.043 4.005 3.960 0.003 0.000 0.242 353 G C 0.297 175.095 174.900 -0.170 0.000 0.982 353 G CA -0.052 45.067 45.100 0.032 0.000 0.662 353 G HN 1.317 nan 8.290 nan 0.000 0.527 354 A N 0.002 122.643 122.820 -0.298 0.000 2.488 354 A HA 0.613 4.935 4.320 0.003 0.000 0.249 354 A C 0.750 178.168 177.584 -0.278 0.000 1.083 354 A CA 0.312 52.035 52.037 -0.524 0.000 0.768 354 A CB 0.764 19.578 19.000 -0.311 0.000 1.017 354 A HN 1.185 nan 8.150 nan 0.000 0.496 355 V N 5.018 124.791 119.914 -0.235 0.000 2.455 355 V HA 0.055 4.177 4.120 0.003 0.000 0.273 355 V C 1.199 177.249 176.094 -0.073 0.000 1.045 355 V CA 0.222 62.458 62.300 -0.107 0.000 0.976 355 V CB 0.631 32.427 31.823 -0.044 0.000 0.993 355 V HN 0.900 nan 8.190 nan 0.000 0.475 356 L N 3.615 124.796 121.223 -0.070 0.000 2.253 356 L HA 0.195 4.537 4.340 0.003 0.000 0.205 356 L C 0.783 177.755 176.870 0.169 0.000 1.078 356 L CA 0.668 55.468 54.840 -0.067 0.000 0.805 356 L CB 0.359 42.227 42.059 -0.319 0.000 0.963 356 L HN 0.844 nan 8.230 nan 0.000 0.459 357 S N -0.833 114.971 115.700 0.173 0.000 2.552 357 S HA 0.649 5.121 4.470 0.003 0.000 0.272 357 S C -0.927 173.720 174.600 0.078 0.000 1.150 357 S CA -0.855 57.449 58.200 0.173 0.000 0.849 357 S CB 1.876 65.210 63.200 0.225 0.000 1.113 357 S HN 0.032 nan 8.310 nan 0.000 0.458 358 M N 2.036 121.662 119.600 0.043 0.000 2.151 358 M HA 0.577 5.058 4.480 0.003 0.000 0.290 358 M C -0.983 175.325 176.300 0.015 0.000 0.965 358 M CA -0.266 55.053 55.300 0.032 0.000 0.930 358 M CB 2.314 34.931 32.600 0.028 0.000 1.560 358 M HN 0.643 nan 8.290 nan 0.000 0.438 359 S N 1.028 116.735 115.700 0.012 0.000 2.542 359 S HA 0.972 5.443 4.470 0.003 0.000 0.293 359 S C -0.426 174.172 174.600 -0.004 0.000 1.089 359 S CA -0.846 57.336 58.200 -0.030 0.000 0.961 359 S CB 2.298 65.442 63.200 -0.092 0.000 1.062 359 S HN 0.874 nan 8.310 nan 0.000 0.483 360 G N 0.684 109.440 108.800 -0.073 0.000 2.718 360 G HA2 0.645 4.606 3.960 0.003 0.000 0.295 360 G HA3 0.645 4.606 3.960 0.003 0.000 0.295 360 G C -2.244 172.420 174.900 -0.395 0.000 1.421 360 G CA -0.538 44.381 45.100 -0.302 0.000 0.902 360 G HN 0.623 nan 8.290 nan 0.000 0.501 361 L N 0.832 121.643 121.223 -0.686 0.000 2.446 361 L HA 0.629 4.971 4.340 0.003 0.000 0.268 361 L C -0.132 176.388 176.870 -0.583 0.000 0.975 361 L CA -0.723 53.812 54.840 -0.508 0.000 0.848 361 L CB 1.630 43.383 42.059 -0.510 0.000 1.225 361 L HN 0.534 nan 8.230 nan 0.000 0.410 362 K N 3.545 123.765 120.400 -0.299 0.000 2.218 362 K HA 0.274 4.596 4.320 0.003 0.000 0.276 362 K C -1.006 175.512 176.600 -0.137 0.000 1.022 362 K CA -0.424 55.775 56.287 -0.147 0.000 0.946 362 K CB 0.534 33.042 32.500 0.015 0.000 1.000 362 K HN 0.812 nan 8.250 nan 0.000 0.468 363 H N 3.941 122.895 119.070 -0.193 0.000 2.792 363 H HA 0.068 4.625 4.556 0.003 0.000 0.298 363 H C -1.109 174.235 175.328 0.027 0.000 1.042 363 H CA -0.799 55.185 56.048 -0.106 0.000 1.300 363 H CB 0.902 30.626 29.762 -0.063 0.000 1.431 363 H HN 0.716 nan 8.280 nan 0.000 0.496 364 D N 5.579 125.911 120.400 -0.113 0.000 2.412 364 D HA -0.054 4.588 4.640 0.003 0.000 0.257 364 D C 1.248 177.383 176.300 -0.276 0.000 1.217 364 D CA 0.000 53.920 54.000 -0.134 0.000 0.897 364 D CB 0.886 41.656 40.800 -0.049 0.000 1.132 364 D HN 0.702 nan 8.370 nan 0.000 0.493 365 L N 3.596 124.700 121.223 -0.198 0.000 2.551 365 L HA -0.091 4.251 4.340 0.003 0.000 0.228 365 L C 1.988 178.818 176.870 -0.066 0.000 1.153 365 L CA 0.708 55.453 54.840 -0.158 0.000 0.851 365 L CB 0.007 42.049 42.059 -0.029 0.000 0.959 365 L HN 0.313 nan 8.230 nan 0.000 0.451 366 K N -0.687 119.682 120.400 -0.050 0.000 2.214 366 K HA -0.010 4.312 4.320 0.003 0.000 0.201 366 K C 2.006 178.599 176.600 -0.011 0.000 1.049 366 K CA 1.369 57.647 56.287 -0.015 0.000 0.978 366 K CB 0.105 32.601 32.500 -0.007 0.000 0.842 366 K HN 0.223 nan 8.250 nan 0.000 0.474 367 T N -2.959 111.585 114.554 -0.017 0.000 3.037 367 T HA 0.186 4.537 4.350 0.003 0.000 0.251 367 T C 1.526 176.239 174.700 0.021 0.000 1.079 367 T CA 0.585 62.687 62.100 0.003 0.000 1.067 367 T CB 0.556 69.428 68.868 0.006 0.000 0.948 367 T HN 0.318 nan 8.240 nan 0.000 0.496 368 G N 1.246 110.053 108.800 0.012 0.000 2.184 368 G HA2 -0.283 3.679 3.960 0.003 0.000 0.264 368 G HA3 -0.283 3.679 3.960 0.003 0.000 0.264 368 G C -0.127 174.883 174.900 0.183 0.000 0.975 368 G CA 0.356 45.527 45.100 0.118 0.000 0.642 368 G HN 0.826 nan 8.290 nan 0.000 0.536 369 E N -0.008 120.249 120.200 0.095 0.000 2.398 369 E HA 0.466 4.818 4.350 0.003 0.000 0.263 369 E C 0.229 176.890 176.600 0.102 0.000 1.046 369 E CA -0.336 56.114 56.400 0.082 0.000 0.908 369 E CB 0.206 29.927 29.700 0.035 0.000 0.963 369 E HN 0.351 nan 8.360 nan 0.000 0.431 370 L N 3.791 125.046 121.223 0.053 0.000 2.305 370 L HA 0.397 4.738 4.340 0.003 0.000 0.284 370 L C -0.338 176.505 176.870 -0.044 0.000 1.013 370 L CA -0.649 54.183 54.840 -0.015 0.000 0.819 370 L CB 1.667 43.701 42.059 -0.042 0.000 1.227 370 L HN 0.598 nan 8.230 nan 0.000 0.417 371 T N 0.369 114.882 114.554 -0.068 0.000 2.893 371 T HA 0.594 4.946 4.350 0.003 0.000 0.293 371 T C -2.866 171.785 174.700 -0.082 0.000 1.027 371 T CA -2.191 59.876 62.100 -0.055 0.000 0.988 371 T CB 2.126 70.979 68.868 -0.025 0.000 1.043 371 T HN 0.191 nan 8.240 nan 0.000 0.461 372 P HA 0.411 nan 4.420 nan 0.000 0.275 372 P C -0.791 176.484 177.300 -0.041 0.000 1.228 372 P CA 0.079 63.132 63.100 -0.079 0.000 0.786 372 P CB 0.581 32.244 31.700 -0.063 0.000 0.927 373 D N 0.651 121.037 120.400 -0.024 0.000 3.118 373 D HA 0.121 4.763 4.640 0.003 0.000 0.286 373 D C 0.724 177.106 176.300 0.138 0.000 1.255 373 D CA -0.151 53.893 54.000 0.074 0.000 0.748 373 D CB -0.141 40.756 40.800 0.162 0.000 1.332 373 D HN -0.032 nan 8.370 nan 0.000 0.575 374 S N -0.057 115.668 115.700 0.042 0.000 2.383 374 S HA -0.099 4.373 4.470 0.003 0.000 0.229 374 S C 1.940 176.553 174.600 0.021 0.000 1.030 374 S CA 0.675 58.895 58.200 0.032 0.000 1.002 374 S CB 0.017 63.201 63.200 -0.027 0.000 0.829 374 S HN 0.525 nan 8.310 nan 0.000 0.467 375 L N 1.098 122.300 121.223 -0.035 0.000 2.291 375 L HA 0.007 4.349 4.340 0.003 0.000 0.214 375 L C 2.628 179.486 176.870 -0.019 0.000 1.120 375 L CA 0.686 55.475 54.840 -0.086 0.000 0.799 375 L CB -0.971 40.984 42.059 -0.174 0.000 0.925 375 L HN 0.402 nan 8.230 nan 0.000 0.446 376 G N 0.277 109.091 108.800 0.023 0.000 2.462 376 G HA2 -0.309 3.653 3.960 0.003 0.000 0.220 376 G HA3 -0.309 3.653 3.960 0.003 0.000 0.220 376 G C 1.688 176.471 174.900 -0.194 0.000 1.121 376 G CA 1.349 46.393 45.100 -0.094 0.000 0.758 376 G HN 0.473 nan 8.290 nan 0.000 0.559 377 T N -0.784 113.733 114.554 -0.062 0.000 2.849 377 T HA -0.124 4.228 4.350 0.003 0.000 0.270 377 T C 2.092 176.795 174.700 0.005 0.000 1.066 377 T CA 1.873 63.962 62.100 -0.019 0.000 1.130 377 T CB -0.297 68.600 68.868 0.049 0.000 0.864 377 T HN 0.689 nan 8.240 nan 0.000 0.481 378 V N -1.056 118.862 119.914 0.007 0.000 3.477 378 V HA 0.428 4.549 4.120 0.003 0.000 0.297 378 V C 1.752 177.864 176.094 0.029 0.000 1.433 378 V CA 0.509 62.828 62.300 0.033 0.000 1.052 378 V CB -0.142 31.714 31.823 0.055 0.000 0.895 378 V HN 0.639 nan 8.190 nan 0.000 0.438 379 T N -3.720 110.833 114.554 -0.001 0.000 2.969 379 T HA 0.343 4.694 4.350 0.003 0.000 0.258 379 T C 0.496 175.152 174.700 -0.073 0.000 0.962 379 T CA -0.115 61.980 62.100 -0.009 0.000 0.903 379 T CB -0.010 68.873 68.868 0.024 0.000 1.177 379 T HN 0.376 nan 8.240 nan 0.000 0.511 380 N N 2.029 120.652 118.700 -0.127 0.000 2.430 380 N HA 0.610 5.352 4.740 0.003 0.000 0.298 380 N C -0.790 174.489 175.510 -0.384 0.000 1.130 380 N CA -0.464 52.410 53.050 -0.294 0.000 0.894 380 N CB 2.422 40.689 38.487 -0.366 0.000 1.209 380 N HN 0.362 nan 8.380 nan 0.000 0.503 381 V N -1.141 118.371 119.914 -0.670 0.000 2.680 381 V HA 0.806 4.928 4.120 0.003 0.000 0.309 381 V C -1.074 174.467 176.094 -0.923 0.000 1.052 381 V CA -0.658 61.333 62.300 -0.515 0.000 0.908 381 V CB 0.893 32.553 31.823 -0.271 0.000 1.001 381 V HN 0.468 nan 8.190 nan 0.000 0.431 382 F N 2.515 122.414 119.950 -0.086 0.000 2.599 382 F HA 0.693 5.222 4.527 0.003 0.000 0.311 382 F C 0.146 175.865 175.800 -0.135 0.000 1.076 382 F CA -1.120 56.836 58.000 -0.073 0.000 0.937 382 F CB 2.111 41.095 39.000 -0.026 0.000 1.282 382 F HN 0.694 nan 8.300 nan 0.000 0.460 383 V N 1.770 121.709 119.914 0.042 0.000 2.599 383 V HA 0.184 4.306 4.120 0.003 0.000 0.300 383 V C -1.890 174.200 176.094 -0.007 0.000 1.034 383 V CA -0.677 61.586 62.300 -0.061 0.000 1.115 383 V CB 0.865 32.659 31.823 -0.048 0.000 0.934 383 V HN 0.717 nan 8.190 nan 0.000 0.485 384 P HA 0.229 nan 4.420 nan 0.000 0.222 384 P C 0.974 178.298 177.300 0.039 0.000 1.157 384 P CA 1.464 64.587 63.100 0.038 0.000 0.816 384 P CB -0.034 31.714 31.700 0.080 0.000 0.813 385 G N 0.193 109.010 108.800 0.027 0.000 2.562 385 G HA2 -0.275 3.687 3.960 0.003 0.000 0.250 385 G HA3 -0.275 3.687 3.960 0.003 0.000 0.250 385 G C 0.973 175.928 174.900 0.091 0.000 1.269 385 G CA 0.205 45.345 45.100 0.067 0.000 0.919 385 G HN 0.148 nan 8.290 nan 0.000 0.574 386 S N 0.140 115.901 115.700 0.102 0.000 2.507 386 S HA -0.028 4.444 4.470 0.003 0.000 0.235 386 S C 2.665 177.330 174.600 0.107 0.000 0.988 386 S CA 2.133 60.404 58.200 0.119 0.000 0.944 386 S CB -0.360 62.901 63.200 0.102 0.000 0.762 386 S HN 1.788 nan 8.310 nan 0.000 0.526 387 V N 0.877 120.849 119.914 0.097 0.000 2.720 387 V HA -0.069 4.053 4.120 0.003 0.000 0.256 387 V C 1.899 178.145 176.094 0.254 0.000 1.082 387 V CA 1.598 63.983 62.300 0.142 0.000 1.101 387 V CB -1.259 30.656 31.823 0.154 0.000 0.693 387 V HN 0.491 nan 8.190 nan 0.000 0.479 388 V N -2.759 117.215 119.914 0.101 0.000 3.630 388 V HA 0.193 4.315 4.120 0.003 0.000 0.273 388 V C 2.204 178.331 176.094 0.056 0.000 1.248 388 V CA 1.119 63.361 62.300 -0.096 0.000 1.170 388 V CB -1.118 30.497 31.823 -0.347 0.000 0.899 388 V HN 0.480 nan 8.190 nan 0.000 0.457 389 K N 1.083 121.584 120.400 0.169 0.000 2.283 389 K HA 0.117 4.439 4.320 0.003 0.000 0.202 389 K C 2.274 178.977 176.600 0.173 0.000 1.048 389 K CA 1.348 57.742 56.287 0.179 0.000 0.948 389 K CB -0.290 32.313 32.500 0.171 0.000 0.742 389 K HN 0.632 nan 8.250 nan 0.000 0.458 390 A N 0.920 123.886 122.820 0.244 0.000 1.968 390 A HA -0.038 4.283 4.320 0.003 0.000 0.217 390 A C 2.248 179.872 177.584 0.067 0.000 1.169 390 A CA 1.576 53.723 52.037 0.183 0.000 0.638 390 A CB -0.435 18.715 19.000 0.251 0.000 0.812 390 A HN 0.313 nan 8.150 nan 0.000 0.446 391 A N -0.956 121.886 122.820 0.037 0.000 1.929 391 A HA -0.017 4.305 4.320 0.003 0.000 0.216 391 A C 2.273 179.989 177.584 0.221 0.000 1.176 391 A CA 2.086 54.137 52.037 0.023 0.000 0.628 391 A CB -1.042 17.936 19.000 -0.036 0.000 0.816 391 A HN 0.397 nan 8.150 nan 0.000 0.444 392 T N 0.544 115.249 114.554 0.251 0.000 2.737 392 T HA -0.073 4.278 4.350 0.003 0.000 0.265 392 T C 1.810 176.489 174.700 -0.035 0.000 1.038 392 T CA 1.443 63.599 62.100 0.092 0.000 1.144 392 T CB -0.414 68.534 68.868 0.133 0.000 0.866 392 T HN 0.417 nan 8.240 nan 0.000 0.434 393 I N 1.449 121.975 120.570 -0.073 0.000 2.163 393 I HA -0.220 3.952 4.170 0.003 0.000 0.243 393 I C 2.699 178.494 176.117 -0.536 0.000 1.085 393 I CA 1.092 62.201 61.300 -0.318 0.000 1.347 393 I CB -0.619 37.159 38.000 -0.371 0.000 1.044 393 I HN 0.206 nan 8.210 nan 0.000 0.408 394 S N 0.176 115.749 115.700 -0.210 0.000 2.380 394 S HA -0.264 4.208 4.470 0.003 0.000 0.229 394 S C 2.151 176.829 174.600 0.129 0.000 1.043 394 S CA 2.045 60.329 58.200 0.140 0.000 1.038 394 S CB -0.436 63.008 63.200 0.406 0.000 0.872 394 S HN 0.450 nan 8.310 nan 0.000 0.456 395 S N 0.635 116.355 115.700 0.033 0.000 2.402 395 S HA 0.004 4.476 4.470 0.003 0.000 0.229 395 S C 2.051 176.649 174.600 -0.003 0.000 1.021 395 S CA 1.112 59.316 58.200 0.007 0.000 0.974 395 S CB -0.737 62.403 63.200 -0.099 0.000 0.800 395 S HN 0.624 nan 8.310 nan 0.000 0.484 396 G N 0.904 109.652 108.800 -0.086 0.000 2.491 396 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 396 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 396 G C 1.257 176.173 174.900 0.027 0.000 1.180 396 G CA 0.985 46.027 45.100 -0.097 0.000 0.774 396 G HN 0.522 nan 8.290 nan 0.000 0.562 397 W N 1.098 122.453 121.300 0.093 0.000 2.355 397 W HA 0.027 4.688 4.660 0.003 0.000 0.309 397 W C 2.614 179.171 176.519 0.062 0.000 1.206 397 W CA 1.115 58.508 57.345 0.080 0.000 1.284 397 W CB -1.040 28.473 29.460 0.088 0.000 1.145 397 W HN 0.422 nan 8.180 nan 0.000 0.502 398 E N -0.105 120.265 120.200 0.283 0.000 2.085 398 E HA -0.178 4.174 4.350 0.003 0.000 0.194 398 E C 1.288 177.962 176.600 0.122 0.000 0.994 398 E CA 1.093 57.596 56.400 0.172 0.000 0.801 398 E CB -0.479 29.301 29.700 0.134 0.000 0.743 398 E HN 0.277 nan 8.360 nan 0.000 0.453 399 N N 0.013 118.776 118.700 0.105 0.000 2.322 399 N HA 0.032 4.773 4.740 0.003 0.000 0.216 399 N C 0.436 175.995 175.510 0.083 0.000 1.144 399 N CA 0.615 53.711 53.050 0.078 0.000 0.830 399 N CB 1.148 39.670 38.487 0.058 0.000 1.034 399 N HN 0.220 nan 8.380 nan 0.000 0.484 400 G N 0.562 109.428 108.800 0.110 0.000 2.203 400 G HA2 -0.275 3.687 3.960 0.003 0.000 0.263 400 G HA3 -0.275 3.687 3.960 0.003 0.000 0.263 400 G C 0.903 175.861 174.900 0.096 0.000 1.012 400 G CA 0.514 45.678 45.100 0.106 0.000 0.749 400 G HN 0.280 nan 8.290 nan 0.000 0.512 401 V N -0.587 119.384 119.914 0.094 0.000 2.500 401 V HA 0.310 4.432 4.120 0.003 0.000 0.243 401 V C 1.577 177.717 176.094 0.077 0.000 1.039 401 V CA 1.587 63.928 62.300 0.067 0.000 1.053 401 V CB -0.026 31.821 31.823 0.039 0.000 0.695 401 V HN 0.395 nan 8.190 nan 0.000 0.463 402 L N -0.493 120.803 121.223 0.121 0.000 2.330 402 L HA 0.615 4.956 4.340 0.003 0.000 0.271 402 L C -0.275 176.823 176.870 0.380 0.000 1.013 402 L CA -0.143 54.809 54.840 0.188 0.000 0.816 402 L CB 1.887 43.994 42.059 0.080 0.000 1.287 402 L HN 0.053 nan 8.230 nan 0.000 0.435 403 S N 0.749 116.656 115.700 0.345 0.000 2.707 403 S HA 0.719 5.191 4.470 0.003 0.000 0.303 403 S C 0.057 174.820 174.600 0.271 0.000 1.132 403 S CA 0.255 58.624 58.200 0.282 0.000 1.046 403 S CB 0.965 64.257 63.200 0.153 0.000 1.004 403 S HN 1.095 nan 8.310 nan 0.000 0.483 404 G N 4.762 113.658 108.800 0.160 0.000 2.564 404 G HA2 -0.311 3.651 3.960 0.003 0.000 0.273 404 G HA3 -0.311 3.651 3.960 0.003 0.000 0.273 404 G C 0.086 175.201 174.900 0.358 0.000 1.242 404 G CA 0.294 45.447 45.100 0.088 0.000 0.951 404 G HN 0.889 nan 8.290 nan 0.000 0.564 405 N N 1.350 120.196 118.700 0.242 0.000 3.091 405 N HA 0.204 4.946 4.740 0.003 0.000 0.301 405 N C 0.683 176.351 175.510 0.264 0.000 1.325 405 N CA 0.704 53.920 53.050 0.276 0.000 1.143 405 N CB -0.304 38.281 38.487 0.165 0.000 1.450 405 N HN 0.713 nan 8.380 nan 0.000 0.542 406 Q N 0.135 120.131 119.800 0.328 0.000 2.286 406 Q HA 0.006 4.348 4.340 0.003 0.000 0.290 406 Q C -0.561 175.615 176.000 0.293 0.000 1.049 406 Q CA 0.362 56.324 55.803 0.266 0.000 0.923 406 Q CB 0.462 29.342 28.738 0.237 0.000 1.183 406 Q HN 0.252 nan 8.270 nan 0.000 0.383 407 T N 5.126 119.803 114.554 0.205 0.000 2.869 407 T HA 0.414 4.766 4.350 0.003 0.000 0.295 407 T C -0.164 174.619 174.700 0.139 0.000 0.987 407 T CA -0.271 61.951 62.100 0.203 0.000 1.109 407 T CB 0.365 69.322 68.868 0.147 0.000 0.932 407 T HN 0.475 nan 8.240 nan 0.000 0.518 408 L N 1.604 122.912 121.223 0.142 0.000 2.283 408 L HA 0.498 4.840 4.340 0.003 0.000 0.259 408 L C 0.281 177.171 176.870 0.033 0.000 1.027 408 L CA -1.097 53.745 54.840 0.003 0.000 0.828 408 L CB 2.188 44.107 42.059 -0.233 0.000 1.380 408 L HN 0.503 nan 8.230 nan 0.000 0.425 409 T N 0.296 114.842 114.554 -0.013 0.000 2.728 409 T HA 0.070 4.421 4.350 0.003 0.000 0.296 409 T C -0.297 174.329 174.700 -0.123 0.000 0.940 409 T CA -0.252 61.824 62.100 -0.040 0.000 1.013 409 T CB 0.281 69.145 68.868 -0.006 0.000 0.912 409 T HN 0.353 nan 8.240 nan 0.000 0.484 410 D N 4.419 124.659 120.400 -0.267 0.000 2.382 410 D HA 0.078 4.719 4.640 0.003 0.000 0.259 410 D C 0.032 176.125 176.300 -0.344 0.000 1.224 410 D CA 0.212 53.969 54.000 -0.404 0.000 0.894 410 D CB 0.508 40.787 40.800 -0.868 0.000 1.127 410 D HN 0.682 nan 8.370 nan 0.000 0.487 411 Q N 2.184 121.855 119.800 -0.215 0.000 2.522 411 Q HA 0.494 4.836 4.340 0.003 0.000 0.285 411 Q C -3.106 172.777 176.000 -0.196 0.000 0.982 411 Q CA -1.854 53.865 55.803 -0.140 0.000 0.805 411 Q CB 1.438 30.136 28.738 -0.067 0.000 1.457 411 Q HN 0.037 nan 8.270 nan 0.000 0.394 412 P HA 0.131 nan 4.420 nan 0.000 0.268 412 P C -0.699 176.360 177.300 -0.402 0.000 1.204 412 P CA 0.002 62.879 63.100 -0.371 0.000 0.768 412 P CB 0.369 31.854 31.700 -0.358 0.000 0.842 413 I N 3.756 123.989 120.570 -0.562 0.000 2.307 413 I HA 0.203 4.375 4.170 0.003 0.000 0.289 413 I C -0.163 175.563 176.117 -0.653 0.000 1.021 413 I CA -0.587 60.246 61.300 -0.779 0.000 1.224 413 I CB 0.973 38.448 38.000 -0.874 0.000 1.376 413 I HN 0.016 nan 8.210 nan 0.000 0.470 414 V N 7.401 127.068 119.914 -0.412 0.000 2.378 414 V HA 0.434 4.556 4.120 0.003 0.000 0.288 414 V C -0.342 175.612 176.094 -0.234 0.000 1.016 414 V CA -0.515 61.625 62.300 -0.266 0.000 0.840 414 V CB 1.272 33.038 31.823 -0.096 0.000 0.994 414 V HN 0.328 nan 8.190 nan 0.000 0.431 415 F N 1.753 121.759 119.950 0.094 0.000 2.458 415 F HA 0.568 5.097 4.527 0.003 0.000 0.330 415 F C 0.447 176.230 175.800 -0.027 0.000 1.082 415 F CA -1.156 56.892 58.000 0.081 0.000 0.995 415 F CB 1.363 40.477 39.000 0.190 0.000 1.170 415 F HN 0.390 nan 8.300 nan 0.000 0.478 416 Q N 1.287 121.109 119.800 0.036 0.000 2.263 416 Q HA 0.375 4.717 4.340 0.003 0.000 0.289 416 Q C 0.847 176.810 176.000 -0.061 0.000 1.061 416 Q CA 1.241 56.920 55.803 -0.207 0.000 0.927 416 Q CB 0.253 28.535 28.738 -0.760 0.000 1.154 416 Q HN 0.939 nan 8.270 nan 0.000 0.378 417 G N 2.905 111.685 108.800 -0.033 0.000 2.160 417 G HA2 -0.201 3.760 3.960 0.003 0.000 0.244 417 G HA3 -0.201 3.760 3.960 0.003 0.000 0.244 417 G C -0.478 174.466 174.900 0.073 0.000 1.022 417 G CA 0.288 45.407 45.100 0.031 0.000 0.741 417 G HN 1.207 nan 8.290 nan 0.000 0.508 418 S N -1.779 113.972 115.700 0.085 0.000 2.547 418 S HA 0.858 5.330 4.470 0.003 0.000 0.270 418 S C -0.040 174.607 174.600 0.078 0.000 1.150 418 S CA -0.012 58.252 58.200 0.106 0.000 0.850 418 S CB 1.540 64.841 63.200 0.169 0.000 1.118 418 S HN 1.927 nan 8.310 nan 0.000 0.461 419 A N 1.800 124.662 122.820 0.070 0.000 2.498 419 A HA 0.585 4.907 4.320 0.003 0.000 0.239 419 A C -2.361 175.216 177.584 -0.012 0.000 1.068 419 A CA -0.788 51.275 52.037 0.045 0.000 0.766 419 A CB -1.197 17.843 19.000 0.067 0.000 1.003 419 A HN 0.625 nan 8.150 nan 0.000 0.497 420 P HA 0.151 nan 4.420 nan 0.000 0.265 420 P C -0.745 176.316 177.300 -0.398 0.000 1.187 420 P CA 0.503 63.422 63.100 -0.302 0.000 0.766 420 P CB 0.241 31.706 31.700 -0.390 0.000 0.820 421 I N 3.226 123.499 120.570 -0.495 0.000 2.336 421 I HA 0.300 4.472 4.170 0.003 0.000 0.292 421 I C -0.153 175.602 176.117 -0.604 0.000 0.991 421 I CA -0.544 60.511 61.300 -0.409 0.000 1.227 421 I CB 0.585 38.440 38.000 -0.243 0.000 1.366 421 I HN 0.293 nan 8.210 nan 0.000 0.466 422 Y N 3.242 123.408 120.300 -0.223 0.000 2.587 422 Y HA 0.466 5.018 4.550 0.003 0.000 0.337 422 Y C 0.677 176.359 175.900 -0.363 0.000 1.065 422 Y CA -0.605 57.337 58.100 -0.264 0.000 1.126 422 Y CB 1.678 40.018 38.460 -0.201 0.000 1.279 422 Y HN 0.453 nan 8.280 nan 0.000 0.489 423 S N 1.069 116.570 115.700 -0.332 0.000 2.652 423 S HA 0.012 4.484 4.470 0.003 0.000 0.267 423 S C 1.008 175.322 174.600 -0.476 0.000 1.201 423 S CA -0.646 57.222 58.200 -0.552 0.000 0.996 423 S CB 0.155 62.658 63.200 -1.162 0.000 1.054 423 S HN 0.932 nan 8.310 nan 0.000 0.561 424 W N 1.241 122.313 121.300 -0.379 0.000 2.392 424 W HA -0.131 4.531 4.660 0.003 0.000 0.279 424 W C 1.009 177.487 176.519 -0.068 0.000 1.225 424 W CA 0.873 58.130 57.345 -0.146 0.000 1.233 424 W CB -1.054 28.393 29.460 -0.021 0.000 1.122 424 W HN 0.848 nan 8.180 nan 0.000 0.561 425 Y N 0.408 120.322 120.300 -0.643 0.000 2.490 425 Y HA 0.320 4.872 4.550 0.003 0.000 0.281 425 Y C 1.511 177.294 175.900 -0.195 0.000 1.174 425 Y CA -0.469 57.315 58.100 -0.526 0.000 1.295 425 Y CB -0.888 37.067 38.460 -0.842 0.000 1.062 425 Y HN -0.292 nan 8.280 nan 0.000 0.522 426 K N 0.368 120.632 120.400 -0.227 0.000 1.699 426 K HA -0.308 4.014 4.320 0.003 0.000 0.127 426 K C 0.788 177.379 176.600 -0.016 0.000 1.157 426 K CA 1.996 58.156 56.287 -0.212 0.000 0.341 426 K CB -1.587 30.728 32.500 -0.309 0.000 0.645 426 K HN 0.455 nan 8.250 nan 0.000 0.848 427 L N 1.230 122.414 121.223 -0.066 0.000 2.640 427 L HA 0.139 4.480 4.340 0.003 0.000 0.230 427 L C 2.276 179.162 176.870 0.027 0.000 1.123 427 L CA 0.617 55.472 54.840 0.026 0.000 0.900 427 L CB 0.018 42.056 42.059 -0.034 0.000 1.146 427 L HN 0.622 nan 8.230 nan 0.000 0.484 428 A N 0.261 123.080 122.820 -0.000 0.000 1.927 428 A HA -0.230 4.092 4.320 0.003 0.000 0.220 428 A C 1.453 178.779 177.584 -0.430 0.000 1.185 428 A CA 1.787 53.707 52.037 -0.196 0.000 0.639 428 A CB -0.636 18.247 19.000 -0.195 0.000 0.820 428 A HN 0.521 nan 8.150 nan 0.000 0.451 429 Y N -0.662 119.639 120.300 0.003 0.000 2.681 429 Y HA 0.425 4.977 4.550 0.003 0.000 0.267 429 Y C 1.691 177.671 175.900 0.134 0.000 1.166 429 Y CA -0.209 57.869 58.100 -0.037 0.000 1.209 429 Y CB -0.295 37.987 38.460 -0.297 0.000 1.161 429 Y HN 0.545 nan 8.280 nan 0.000 0.534 430 G N 0.664 109.597 108.800 0.222 0.000 2.582 430 G HA2 -0.288 3.674 3.960 0.003 0.000 0.288 430 G HA3 -0.288 3.674 3.960 0.003 0.000 0.288 430 G C -0.069 175.026 174.900 0.325 0.000 1.247 430 G CA 0.113 45.340 45.100 0.213 0.000 0.972 430 G HN 0.293 nan 8.290 nan 0.000 0.557 431 S N 0.013 115.867 115.700 0.256 0.000 2.578 431 S HA 0.870 5.342 4.470 0.003 0.000 0.301 431 S C -0.497 174.270 174.600 0.279 0.000 1.091 431 S CA 0.371 58.666 58.200 0.158 0.000 1.032 431 S CB 1.498 64.734 63.200 0.060 0.000 1.064 431 S HN 1.514 nan 8.310 nan 0.000 0.508 432 F N -0.888 119.115 119.950 0.089 0.000 2.725 432 F HA 0.621 5.150 4.527 0.003 0.000 0.309 432 F C -3.348 172.511 175.800 0.097 0.000 1.132 432 F CA -2.221 55.828 58.000 0.082 0.000 0.957 432 F CB 0.365 39.406 39.000 0.068 0.000 1.286 432 F HN 0.288 nan 8.300 nan 0.000 0.440 433 P HA 0.483 nan 4.420 nan 0.000 0.274 433 P C -1.003 176.467 177.300 0.285 0.000 1.231 433 P CA -0.022 63.191 63.100 0.189 0.000 0.790 433 P CB 2.226 34.030 31.700 0.173 0.000 0.951 434 I N 0.501 121.205 120.570 0.224 0.000 2.710 434 I HA 0.239 4.411 4.170 0.003 0.000 0.290 434 I C -0.183 176.082 176.117 0.248 0.000 1.318 434 I CA -0.436 61.020 61.300 0.260 0.000 1.045 434 I CB 2.170 40.334 38.000 0.274 0.000 1.307 434 I HN 0.405 nan 8.210 nan 0.000 0.424 435 T N 3.459 118.100 114.554 0.145 0.000 2.816 435 T HA 0.511 4.863 4.350 0.003 0.000 0.282 435 T C 1.278 175.883 174.700 -0.158 0.000 0.993 435 T CA 0.154 62.324 62.100 0.117 0.000 0.994 435 T CB 1.662 70.578 68.868 0.080 0.000 1.025 435 T HN 0.719 nan 8.240 nan 0.000 0.529 436 A N 0.807 123.510 122.820 -0.196 0.000 1.883 436 A HA -0.034 4.288 4.320 0.003 0.000 0.217 436 A C 2.473 179.886 177.584 -0.286 0.000 1.186 436 A CA 1.884 53.610 52.037 -0.518 0.000 0.624 436 A CB -1.451 17.539 19.000 -0.017 0.000 0.822 436 A HN 0.761 nan 8.150 nan 0.000 0.444 437 V N 0.017 119.881 119.914 -0.083 0.000 2.324 437 V HA -0.321 3.801 4.120 0.003 0.000 0.250 437 V C 2.458 178.462 176.094 -0.149 0.000 1.060 437 V CA 2.539 64.816 62.300 -0.039 0.000 1.042 437 V CB -0.795 31.039 31.823 0.018 0.000 0.650 437 V HN 0.672 nan 8.190 nan 0.000 0.450 438 E N -0.285 119.764 120.200 -0.251 0.000 2.076 438 E HA -0.081 4.271 4.350 0.003 0.000 0.190 438 E C 2.358 178.636 176.600 -0.536 0.000 0.979 438 E CA 1.002 57.090 56.400 -0.519 0.000 0.807 438 E CB -0.354 29.092 29.700 -0.423 0.000 0.761 438 E HN 0.586 nan 8.360 nan 0.000 0.454 439 A N 1.479 124.082 122.820 -0.363 0.000 1.903 439 A HA -0.233 4.089 4.320 0.003 0.000 0.219 439 A C 2.195 179.719 177.584 -0.100 0.000 1.191 439 A CA 1.418 53.309 52.037 -0.244 0.000 0.638 439 A CB -0.828 17.803 19.000 -0.613 0.000 0.823 439 A HN 0.157 nan 8.150 nan 0.000 0.451 440 L N -1.163 119.995 121.223 -0.108 0.000 2.093 440 L HA -0.181 4.161 4.340 0.003 0.000 0.208 440 L C 2.671 179.567 176.870 0.044 0.000 1.085 440 L CA 1.737 56.599 54.840 0.036 0.000 0.755 440 L CB -0.559 41.582 42.059 0.137 0.000 0.904 440 L HN 0.619 nan 8.230 nan 0.000 0.435 441 E N 0.005 120.171 120.200 -0.057 0.000 2.051 441 E HA -0.227 4.124 4.350 0.003 0.000 0.192 441 E C 1.866 178.597 176.600 0.219 0.000 0.991 441 E CA 1.449 57.846 56.400 -0.006 0.000 0.799 441 E CB 0.033 29.636 29.700 -0.162 0.000 0.748 441 E HN 0.469 nan 8.360 nan 0.000 0.449 442 Y N -0.192 120.215 120.300 0.179 0.000 2.482 442 Y HA 0.272 4.823 4.550 0.003 0.000 0.270 442 Y C 1.124 177.327 175.900 0.504 0.000 1.152 442 Y CA 0.231 58.518 58.100 0.312 0.000 1.292 442 Y CB -0.101 38.476 38.460 0.194 0.000 1.070 442 Y HN -0.107 nan 8.280 nan 0.000 0.528 443 S N 0.571 116.529 115.700 0.431 0.000 3.706 443 S HA -0.212 4.259 4.470 0.003 0.000 0.363 443 S C 0.440 175.241 174.600 0.335 0.000 0.999 443 S CA 0.481 58.889 58.200 0.345 0.000 1.143 443 S CB -1.412 61.994 63.200 0.344 0.000 0.902 443 S HN 0.521 nan 8.310 nan 0.000 0.476 444 S N 0.824 116.704 115.700 0.301 0.000 2.544 444 S HA 0.203 4.675 4.470 0.003 0.000 0.290 444 S C 1.251 175.900 174.600 0.082 0.000 1.276 444 S CA -0.078 58.256 58.200 0.224 0.000 1.075 444 S CB 0.324 63.674 63.200 0.250 0.000 0.849 444 S HN 0.588 nan 8.310 nan 0.000 0.494 445 N N 4.227 122.882 118.700 -0.074 0.000 2.416 445 N HA 0.067 4.809 4.740 0.003 0.000 0.177 445 N C 1.851 177.280 175.510 -0.134 0.000 1.036 445 N CA 1.073 54.007 53.050 -0.193 0.000 0.901 445 N CB -0.614 37.570 38.487 -0.505 0.000 0.976 445 N HN 0.701 nan 8.380 nan 0.000 0.444 446 A N 0.211 122.960 122.820 -0.118 0.000 1.877 446 A HA -0.173 4.149 4.320 0.003 0.000 0.216 446 A C 2.097 179.652 177.584 -0.049 0.000 1.186 446 A CA 0.985 52.940 52.037 -0.136 0.000 0.620 446 A CB -1.006 17.899 19.000 -0.158 0.000 0.822 446 A HN 0.337 nan 8.150 nan 0.000 0.443 447 Y N 0.809 121.070 120.300 -0.066 0.000 2.128 447 Y HA -0.249 4.303 4.550 0.003 0.000 0.284 447 Y C 2.578 178.461 175.900 -0.028 0.000 1.154 447 Y CA 2.508 60.587 58.100 -0.035 0.000 1.149 447 Y CB -0.061 38.396 38.460 -0.005 0.000 0.976 447 Y HN 0.217 nan 8.280 nan 0.000 0.505 448 V N -3.700 116.333 119.914 0.198 0.000 2.719 448 V HA -0.108 4.014 4.120 0.003 0.000 0.252 448 V C 1.897 178.027 176.094 0.060 0.000 1.065 448 V CA 1.334 63.717 62.300 0.139 0.000 1.086 448 V CB -1.037 30.891 31.823 0.174 0.000 0.700 448 V HN 0.212 nan 8.190 nan 0.000 0.467 449 V N 0.555 120.500 119.914 0.052 0.000 2.379 449 V HA -0.208 3.914 4.120 0.003 0.000 0.245 449 V C 2.805 178.914 176.094 0.025 0.000 1.044 449 V CA 2.319 64.646 62.300 0.045 0.000 1.036 449 V CB -0.712 31.128 31.823 0.030 0.000 0.664 449 V HN 0.549 nan 8.190 nan 0.000 0.453 450 Q N -0.461 119.306 119.800 -0.055 0.000 2.119 450 Q HA -0.163 4.179 4.340 0.003 0.000 0.201 450 Q C 2.349 178.335 176.000 -0.024 0.000 0.972 450 Q CA 1.939 57.716 55.803 -0.043 0.000 0.847 450 Q CB -0.372 28.290 28.738 -0.126 0.000 0.903 450 Q HN 0.600 nan 8.270 nan 0.000 0.433 451 T N 1.007 115.511 114.554 -0.083 0.000 2.665 451 T HA -0.221 4.130 4.350 0.003 0.000 0.268 451 T C 1.892 176.602 174.700 0.017 0.000 1.035 451 T CA 1.490 63.552 62.100 -0.064 0.000 1.151 451 T CB -0.304 68.517 68.868 -0.078 0.000 0.862 451 T HN 0.422 nan 8.240 nan 0.000 0.438 452 A N 0.685 123.518 122.820 0.021 0.000 1.968 452 A HA 0.076 4.398 4.320 0.003 0.000 0.217 452 A C 2.214 179.989 177.584 0.317 0.000 1.169 452 A CA 0.952 53.037 52.037 0.080 0.000 0.638 452 A CB -0.688 18.151 19.000 -0.269 0.000 0.812 452 A HN 0.398 nan 8.150 nan 0.000 0.446 453 L N 0.201 121.582 121.223 0.263 0.000 2.017 453 L HA -0.060 4.282 4.340 0.003 0.000 0.208 453 L C 2.456 179.452 176.870 0.211 0.000 1.073 453 L CA 2.232 57.259 54.840 0.311 0.000 0.745 453 L CB -1.008 41.252 42.059 0.335 0.000 0.894 453 L HN 0.323 nan 8.230 nan 0.000 0.432 454 G N -0.201 108.687 108.800 0.147 0.000 2.476 454 G HA2 -0.309 3.652 3.960 0.003 0.000 0.218 454 G HA3 -0.309 3.652 3.960 0.003 0.000 0.218 454 G C 1.615 176.573 174.900 0.097 0.000 1.164 454 G CA 1.373 46.532 45.100 0.099 0.000 0.768 454 G HN 0.496 nan 8.290 nan 0.000 0.560 455 I N 0.207 120.851 120.570 0.123 0.000 2.454 455 I HA -0.083 4.089 4.170 0.003 0.000 0.254 455 I C 2.612 178.775 176.117 0.078 0.000 1.156 455 I CA 0.824 62.191 61.300 0.111 0.000 1.433 455 I CB -0.062 38.029 38.000 0.153 0.000 1.082 455 I HN 0.201 nan 8.210 nan 0.000 0.432 456 M N 0.204 119.860 119.600 0.094 0.000 2.618 456 M HA 0.112 4.593 4.480 0.003 0.000 0.240 456 M C 1.093 177.398 176.300 0.007 0.000 1.123 456 M CA 0.774 56.069 55.300 -0.007 0.000 1.060 456 M CB 0.251 32.846 32.600 -0.008 0.000 1.535 456 M HN 0.319 nan 8.290 nan 0.000 0.507 457 G N 1.477 110.300 108.800 0.039 0.000 2.165 457 G HA2 -0.242 3.720 3.960 0.003 0.000 0.226 457 G HA3 -0.242 3.720 3.960 0.003 0.000 0.226 457 G C -0.394 174.530 174.900 0.040 0.000 1.035 457 G CA 0.137 45.256 45.100 0.031 0.000 0.744 457 G HN 0.520 nan 8.290 nan 0.000 0.501 458 Q N -0.552 119.289 119.800 0.069 0.000 2.389 458 Q HA 0.702 5.044 4.340 0.003 0.000 0.277 458 Q C -0.403 175.663 176.000 0.111 0.000 1.082 458 Q CA -0.471 55.382 55.803 0.083 0.000 0.810 458 Q CB 1.858 30.654 28.738 0.095 0.000 1.374 458 Q HN 0.208 nan 8.270 nan 0.000 0.422 459 T N 1.700 116.314 114.554 0.100 0.000 2.859 459 T HA 0.250 4.602 4.350 0.003 0.000 0.281 459 T C -1.325 173.466 174.700 0.153 0.000 1.005 459 T CA -0.338 61.827 62.100 0.109 0.000 1.025 459 T CB 0.379 69.283 68.868 0.060 0.000 0.977 459 T HN 0.429 nan 8.240 nan 0.000 0.458 460 Y N 3.854 124.192 120.300 0.063 0.000 2.436 460 Y HA 0.288 4.839 4.550 0.003 0.000 0.336 460 Y C -0.084 175.835 175.900 0.031 0.000 1.049 460 Y CA -0.412 57.730 58.100 0.069 0.000 1.294 460 Y CB 0.340 38.820 38.460 0.034 0.000 1.179 460 Y HN 0.380 nan 8.280 nan 0.000 0.520 461 Q N 8.174 127.580 119.800 -0.656 0.000 2.337 461 Q HA 0.378 4.720 4.340 0.003 0.000 0.270 461 Q C -2.685 172.759 176.000 -0.928 0.000 1.043 461 Q CA -2.518 52.860 55.803 -0.708 0.000 0.794 461 Q CB 1.677 30.250 28.738 -0.274 0.000 1.281 461 Q HN 0.562 nan 8.270 nan 0.000 0.446 462 P HA 0.012 nan 4.420 nan 0.000 0.265 462 P C -0.048 177.124 177.300 -0.213 0.000 1.187 462 P CA 0.393 63.237 63.100 -0.426 0.000 0.766 462 P CB 0.442 32.029 31.700 -0.190 0.000 0.820 463 N N -1.292 117.343 118.700 -0.108 0.000 2.965 463 N HA -0.161 4.581 4.740 0.003 0.000 0.232 463 N C 0.245 175.674 175.510 -0.135 0.000 0.913 463 N CA 0.928 53.913 53.050 -0.109 0.000 0.981 463 N CB -2.117 36.305 38.487 -0.108 0.000 1.077 463 N HN 0.580 nan 8.380 nan 0.000 0.589 464 M N -0.590 118.982 119.600 -0.047 0.000 2.240 464 M HA 0.123 4.604 4.480 0.003 0.000 0.346 464 M C -0.131 176.154 176.300 -0.025 0.000 1.236 464 M CA 0.500 55.811 55.300 0.019 0.000 0.986 464 M CB -0.256 32.400 32.600 0.093 0.000 1.786 464 M HN -0.046 nan 8.290 nan 0.000 0.457 465 F N 2.577 122.544 119.950 0.029 0.000 2.495 465 F HA 0.371 4.899 4.527 0.003 0.000 0.365 465 F C 0.236 175.991 175.800 -0.074 0.000 1.090 465 F CA -0.377 57.614 58.000 -0.014 0.000 1.235 465 F CB 0.721 39.703 39.000 -0.030 0.000 1.119 465 F HN 0.333 nan 8.300 nan 0.000 0.562 466 V N 3.022 122.913 119.914 -0.038 0.000 2.435 466 V HA 0.516 4.638 4.120 0.003 0.000 0.290 466 V C 0.502 176.432 176.094 -0.274 0.000 1.030 466 V CA -0.944 61.202 62.300 -0.256 0.000 0.881 466 V CB 1.401 32.797 31.823 -0.711 0.000 0.983 466 V HN 0.901 nan 8.190 nan 0.000 0.445 467 G N 1.928 110.612 108.800 -0.193 0.000 2.380 467 G HA2 0.411 4.372 3.960 0.003 0.000 0.262 467 G HA3 0.411 4.372 3.960 0.003 0.000 0.262 467 G C 0.715 175.491 174.900 -0.207 0.000 1.243 467 G CA 0.361 45.367 45.100 -0.157 0.000 0.865 467 G HN 0.876 nan 8.290 nan 0.000 0.513 468 T N -0.876 113.573 114.554 -0.176 0.000 3.223 468 T HA 0.114 4.465 4.350 0.003 0.000 0.259 468 T C 2.033 176.671 174.700 -0.104 0.000 1.015 468 T CA 0.460 62.467 62.100 -0.155 0.000 0.908 468 T CB 0.001 68.792 68.868 -0.129 0.000 1.054 468 T HN 0.460 nan 8.240 nan 0.000 0.567 469 S N 2.528 118.173 115.700 -0.092 0.000 2.370 469 S HA -0.121 4.351 4.470 0.003 0.000 0.226 469 S C 1.512 176.071 174.600 -0.069 0.000 1.033 469 S CA 0.876 59.034 58.200 -0.070 0.000 1.011 469 S CB -0.549 62.616 63.200 -0.059 0.000 0.852 469 S HN 0.498 nan 8.310 nan 0.000 0.457 470 N N 1.043 119.694 118.700 -0.083 0.000 2.327 470 N HA 0.306 5.048 4.740 0.003 0.000 0.231 470 N C 0.837 176.265 175.510 -0.137 0.000 1.130 470 N CA -0.110 52.887 53.050 -0.088 0.000 0.845 470 N CB 0.396 38.837 38.487 -0.077 0.000 1.073 470 N HN 0.280 nan 8.380 nan 0.000 0.496 471 L N 1.138 122.285 121.223 -0.127 0.000 1.988 471 L HA -0.035 4.307 4.340 0.003 0.000 0.207 471 L C 1.791 178.605 176.870 -0.094 0.000 1.071 471 L CA 1.922 56.669 54.840 -0.155 0.000 0.744 471 L CB -0.436 41.595 42.059 -0.046 0.000 0.893 471 L HN 0.121 nan 8.230 nan 0.000 0.433 472 E N -1.070 119.135 120.200 0.007 0.000 2.160 472 E HA -0.236 4.116 4.350 0.003 0.000 0.195 472 E C 2.237 178.863 176.600 0.043 0.000 0.991 472 E CA 1.367 57.828 56.400 0.103 0.000 0.810 472 E CB -0.171 29.564 29.700 0.058 0.000 0.742 472 E HN 0.582 nan 8.360 nan 0.000 0.466 473 S N 0.207 115.893 115.700 -0.024 0.000 2.371 473 S HA -0.063 4.408 4.470 0.003 0.000 0.224 473 S C 2.103 176.671 174.600 -0.053 0.000 1.029 473 S CA 0.958 59.143 58.200 -0.026 0.000 0.978 473 S CB -0.037 63.145 63.200 -0.031 0.000 0.833 473 S HN 0.302 nan 8.310 nan 0.000 0.466 474 A N 1.371 124.105 122.820 -0.144 0.000 1.902 474 A HA -0.028 4.294 4.320 0.003 0.000 0.217 474 A C 2.201 179.727 177.584 -0.096 0.000 1.181 474 A CA 1.951 53.866 52.037 -0.202 0.000 0.623 474 A CB -0.783 17.903 19.000 -0.524 0.000 0.818 474 A HN 0.610 nan 8.150 nan 0.000 0.443 475 M N 0.437 119.931 119.600 -0.177 0.000 2.086 475 M HA -0.001 4.480 4.480 0.003 0.000 0.261 475 M C 2.002 178.308 176.300 0.010 0.000 1.067 475 M CA 1.807 57.125 55.300 0.029 0.000 1.116 475 M CB -1.151 31.334 32.600 -0.191 0.000 1.348 475 M HN 0.320 nan 8.290 nan 0.000 0.407 476 G N 0.158 108.964 108.800 0.010 0.000 2.513 476 G HA2 -0.285 3.677 3.960 0.003 0.000 0.219 476 G HA3 -0.285 3.677 3.960 0.003 0.000 0.219 476 G C 1.631 176.539 174.900 0.013 0.000 1.160 476 G CA 1.349 46.464 45.100 0.024 0.000 0.767 476 G HN 0.547 nan 8.290 nan 0.000 0.571 477 K N -0.520 119.887 120.400 0.011 0.000 2.097 477 K HA 0.068 4.389 4.320 0.003 0.000 0.205 477 K C 2.362 178.936 176.600 -0.044 0.000 1.050 477 K CA 0.719 57.007 56.287 0.003 0.000 0.938 477 K CB -0.221 32.289 32.500 0.016 0.000 0.718 477 K HN 0.272 nan 8.250 nan 0.000 0.442 478 L N 1.578 122.767 121.223 -0.057 0.000 2.005 478 L HA -0.113 4.229 4.340 0.003 0.000 0.207 478 L C 2.092 178.708 176.870 -0.423 0.000 1.072 478 L CA 1.624 56.289 54.840 -0.291 0.000 0.744 478 L CB -0.247 41.663 42.059 -0.249 0.000 0.895 478 L HN -0.035 nan 8.230 nan 0.000 0.433 479 R N -1.144 119.263 120.500 -0.154 0.000 2.193 479 R HA -0.125 4.217 4.340 0.003 0.000 0.229 479 R C 2.503 178.841 176.300 0.063 0.000 1.110 479 R CA 1.122 57.241 56.100 0.032 0.000 0.988 479 R CB -0.400 29.956 30.300 0.093 0.000 0.871 479 R HN 0.498 nan 8.270 nan 0.000 0.458 480 S N -0.322 115.383 115.700 0.009 0.000 2.357 480 S HA -0.109 4.362 4.470 0.003 0.000 0.221 480 S C 1.755 176.386 174.600 0.051 0.000 1.031 480 S CA 1.647 59.867 58.200 0.034 0.000 0.982 480 S CB -0.088 63.124 63.200 0.021 0.000 0.853 480 S HN 0.273 nan 8.310 nan 0.000 0.458 481 T N 2.113 116.676 114.554 0.015 0.000 2.708 481 T HA -0.037 4.315 4.350 0.003 0.000 0.266 481 T C 1.412 176.275 174.700 0.271 0.000 1.037 481 T CA 1.429 63.587 62.100 0.096 0.000 1.146 481 T CB -0.539 68.351 68.868 0.037 0.000 0.865 481 T HN 0.360 nan 8.240 nan 0.000 0.435 482 F N 1.856 121.863 119.950 0.095 0.000 2.091 482 F HA -0.009 4.520 4.527 0.003 0.000 0.299 482 F C 2.797 178.608 175.800 0.019 0.000 1.103 482 F CA 0.726 58.742 58.000 0.027 0.000 1.228 482 F CB -1.549 37.431 39.000 -0.034 0.000 0.984 482 F HN 0.255 nan 8.300 nan 0.000 0.477 483 G N -0.516 108.415 108.800 0.217 0.000 2.475 483 G HA2 -0.272 3.690 3.960 0.003 0.000 0.220 483 G HA3 -0.272 3.690 3.960 0.003 0.000 0.220 483 G C 1.545 176.494 174.900 0.081 0.000 1.125 483 G CA 0.902 46.067 45.100 0.108 0.000 0.755 483 G HN 0.414 nan 8.290 nan 0.000 0.565 484 E N -0.924 119.325 120.200 0.082 0.000 2.347 484 E HA -0.044 4.308 4.350 0.003 0.000 0.196 484 E C 1.517 178.062 176.600 -0.091 0.000 1.008 484 E CA 0.445 56.825 56.400 -0.033 0.000 0.852 484 E CB -0.083 29.549 29.700 -0.112 0.000 0.783 484 E HN 0.660 nan 8.360 nan 0.000 0.505 485 Y N -0.665 119.678 120.300 0.072 0.000 2.482 485 Y HA 0.179 4.731 4.550 0.003 0.000 0.270 485 Y C 1.638 177.568 175.900 0.050 0.000 1.152 485 Y CA 0.533 58.695 58.100 0.104 0.000 1.292 485 Y CB 1.177 39.736 38.460 0.166 0.000 1.070 485 Y HN 0.100 nan 8.280 nan 0.000 0.528 486 G N 0.254 109.117 108.800 0.105 0.000 2.175 486 G HA2 -0.252 3.710 3.960 0.003 0.000 0.244 486 G HA3 -0.252 3.710 3.960 0.003 0.000 0.244 486 G C -0.064 174.772 174.900 -0.107 0.000 0.982 486 G CA -0.189 44.927 45.100 0.027 0.000 0.641 486 G HN 0.193 nan 8.290 nan 0.000 0.527 487 L N 0.683 121.759 121.223 -0.244 0.000 2.312 487 L HA 0.521 4.862 4.340 0.003 0.000 0.287 487 L C 1.581 178.181 176.870 -0.450 0.000 1.091 487 L CA 0.713 55.098 54.840 -0.759 0.000 0.846 487 L CB 0.511 41.869 42.059 -1.168 0.000 1.219 487 L HN 0.878 nan 8.230 nan 0.000 0.439 488 G N 1.871 110.548 108.800 -0.205 0.000 2.195 488 G HA2 -0.244 3.718 3.960 0.003 0.000 0.224 488 G HA3 -0.244 3.718 3.960 0.003 0.000 0.224 488 G C 0.157 175.099 174.900 0.070 0.000 0.990 488 G CA 0.107 45.269 45.100 0.103 0.000 0.639 488 G HN 0.627 nan 8.290 nan 0.000 0.514 489 S N -0.205 115.511 115.700 0.027 0.000 2.689 489 S HA 0.877 5.349 4.470 0.003 0.000 0.306 489 S C 0.355 174.974 174.600 0.031 0.000 1.104 489 S CA 0.105 58.327 58.200 0.036 0.000 0.973 489 S CB 2.058 65.278 63.200 0.033 0.000 1.121 489 S HN 1.861 nan 8.310 nan 0.000 0.523 490 A N 1.147 123.987 122.820 0.033 0.000 2.511 490 A HA 0.430 4.752 4.320 0.003 0.000 0.242 490 A C 1.439 179.044 177.584 0.034 0.000 1.069 490 A CA 0.173 52.229 52.037 0.033 0.000 0.763 490 A CB -0.462 18.555 19.000 0.028 0.000 1.001 490 A HN 1.179 nan 8.150 nan 0.000 0.498 491 T N -0.429 114.150 114.554 0.040 0.000 3.043 491 T HA 0.364 4.716 4.350 0.003 0.000 0.263 491 T C 1.338 176.068 174.700 0.049 0.000 1.094 491 T CA 1.073 63.200 62.100 0.046 0.000 1.127 491 T CB -0.137 68.763 68.868 0.053 0.000 0.905 491 T HN 2.436 nan 8.240 nan 0.000 0.490 492 G N 1.284 110.112 108.800 0.047 0.000 2.130 492 G HA2 -0.194 3.768 3.960 0.003 0.000 0.216 492 G HA3 -0.194 3.768 3.960 0.003 0.000 0.216 492 G C -0.050 174.888 174.900 0.063 0.000 0.999 492 G CA 0.002 45.130 45.100 0.047 0.000 0.686 492 G HN 0.792 nan 8.290 nan 0.000 0.515 493 I N 1.252 121.864 120.570 0.071 0.000 2.638 493 I HA 0.317 4.489 4.170 0.003 0.000 0.286 493 I C 0.611 176.788 176.117 0.099 0.000 1.088 493 I CA -0.441 60.916 61.300 0.094 0.000 1.397 493 I CB 0.564 38.618 38.000 0.090 0.000 1.414 493 I HN 0.242 nan 8.210 nan 0.000 0.566 494 D N 8.179 128.663 120.400 0.141 0.000 2.848 494 D HA 0.128 4.769 4.640 0.003 0.000 0.232 494 D C -0.573 175.812 176.300 0.142 0.000 1.107 494 D CA 0.294 54.376 54.000 0.137 0.000 1.020 494 D CB -0.486 40.477 40.800 0.271 0.000 1.148 494 D HN 0.268 nan 8.370 nan 0.000 0.453 495 L N -0.110 121.176 121.223 0.105 0.000 2.371 495 L HA 0.304 4.646 4.340 0.003 0.000 0.262 495 L C -1.646 175.263 176.870 0.064 0.000 1.006 495 L CA -2.392 52.526 54.840 0.129 0.000 0.818 495 L CB 2.609 44.784 42.059 0.193 0.000 1.354 495 L HN -0.261 nan 8.230 nan 0.000 0.415 496 P HA -0.104 nan 4.420 nan 0.000 0.215 496 P C -0.594 176.701 177.300 -0.008 0.000 1.157 496 P CA 1.331 64.418 63.100 -0.022 0.000 0.874 496 P CB 0.237 31.888 31.700 -0.082 0.000 0.790 497 D N -1.237 119.175 120.400 0.020 0.000 2.788 497 D HA 0.188 4.830 4.640 0.003 0.000 0.247 497 D C -0.837 175.505 176.300 0.070 0.000 1.236 497 D CA -0.546 53.470 54.000 0.026 0.000 0.898 497 D CB 1.219 42.015 40.800 -0.007 0.000 1.401 497 D HN 0.119 nan 8.370 nan 0.000 0.549 498 E N 0.631 120.863 120.200 0.053 0.000 2.256 498 E HA 0.608 4.960 4.350 0.003 0.000 0.267 498 E C -0.649 175.974 176.600 0.038 0.000 0.892 498 E CA -1.025 55.410 56.400 0.057 0.000 0.775 498 E CB 1.793 31.528 29.700 0.057 0.000 1.207 498 E HN 0.154 nan 8.360 nan 0.000 0.420 499 S N 0.431 116.150 115.700 0.032 0.000 2.572 499 S HA 0.074 4.545 4.470 0.003 0.000 0.279 499 S C 0.643 175.263 174.600 0.034 0.000 1.341 499 S CA 0.296 58.507 58.200 0.018 0.000 1.043 499 S CB 0.395 63.593 63.200 -0.004 0.000 0.887 499 S HN 0.653 nan 8.310 nan 0.000 0.516 500 T N 0.685 115.261 114.554 0.036 0.000 3.132 500 T HA 0.588 4.940 4.350 0.003 0.000 0.274 500 T C 0.724 175.475 174.700 0.085 0.000 1.011 500 T CA 0.223 62.356 62.100 0.056 0.000 0.899 500 T CB -0.337 68.559 68.868 0.048 0.000 1.089 500 T HN 1.381 nan 8.240 nan 0.000 0.543 501 G N 1.192 110.030 108.800 0.063 0.000 2.408 501 G HA2 0.083 4.045 3.960 0.003 0.000 0.682 501 G HA3 0.083 4.045 3.960 0.003 0.000 0.682 501 G C -1.429 173.457 174.900 -0.023 0.000 1.303 501 G CA -1.055 44.083 45.100 0.063 0.000 0.966 501 G HN 0.366 nan 8.290 nan 0.000 0.560 502 L N 0.955 122.118 121.223 -0.101 0.000 2.287 502 L HA 0.447 4.789 4.340 0.003 0.000 0.280 502 L C 0.161 176.940 176.870 -0.152 0.000 1.055 502 L CA -0.659 54.099 54.840 -0.137 0.000 0.863 502 L CB 1.109 43.043 42.059 -0.209 0.000 1.245 502 L HN 0.375 nan 8.230 nan 0.000 0.432 503 V N 4.610 124.490 119.914 -0.058 0.000 2.240 503 V HA 0.238 4.360 4.120 0.003 0.000 0.265 503 V C -1.996 174.112 176.094 0.024 0.000 1.073 503 V CA -1.522 60.771 62.300 -0.012 0.000 0.857 503 V CB 0.825 32.690 31.823 0.070 0.000 1.114 503 V HN 0.576 nan 8.190 nan 0.000 0.469 504 P HA 0.191 nan 4.420 nan 0.000 0.267 504 P C 0.718 178.187 177.300 0.283 0.000 1.205 504 P CA -0.198 62.970 63.100 0.114 0.000 0.765 504 P CB 0.726 32.494 31.700 0.113 0.000 0.828 505 K N 1.285 121.823 120.400 0.229 0.000 2.365 505 K HA -0.002 4.320 4.320 0.003 0.000 0.197 505 K C 0.572 177.324 176.600 0.252 0.000 1.042 505 K CA 0.618 57.062 56.287 0.262 0.000 0.987 505 K CB 0.413 32.998 32.500 0.141 0.000 0.779 505 K HN 0.542 nan 8.250 nan 0.000 0.484 506 E N 0.350 120.679 120.200 0.215 0.000 2.166 506 E HA 0.302 4.654 4.350 0.003 0.000 0.275 506 E C -1.373 175.366 176.600 0.231 0.000 0.941 506 E CA -0.785 55.655 56.400 0.066 0.000 0.784 506 E CB 0.846 30.567 29.700 0.035 0.000 1.115 506 E HN 0.056 nan 8.360 nan 0.000 0.399 507 Y N 1.364 121.713 120.300 0.082 0.000 2.741 507 Y HA 0.462 5.014 4.550 0.003 0.000 0.339 507 Y C -1.188 174.683 175.900 -0.047 0.000 1.226 507 Y CA -1.350 56.754 58.100 0.005 0.000 1.072 507 Y CB 0.444 38.883 38.460 -0.035 0.000 1.331 507 Y HN 0.578 nan 8.280 nan 0.000 0.453 508 N N -0.114 118.634 118.700 0.080 0.000 3.201 508 N HA 0.316 5.058 4.740 0.003 0.000 0.344 508 N C -0.215 175.375 175.510 0.133 0.000 1.465 508 N CA -0.789 52.302 53.050 0.068 0.000 0.731 508 N CB 0.242 38.751 38.487 0.036 0.000 1.677 508 N HN 0.706 nan 8.380 nan 0.000 0.631 509 F N -0.097 119.849 119.950 -0.007 0.000 2.234 509 F HA 0.285 4.813 4.527 0.003 0.000 0.299 509 F C 1.962 177.761 175.800 -0.001 0.000 1.087 509 F CA 1.413 59.411 58.000 -0.003 0.000 1.340 509 F CB -0.538 38.416 39.000 -0.077 0.000 1.031 509 F HN 0.597 nan 8.300 nan 0.000 0.500 510 A N 0.389 123.097 122.820 -0.187 0.000 1.929 510 A HA -0.115 4.207 4.320 0.003 0.000 0.216 510 A C 1.959 179.347 177.584 -0.326 0.000 1.176 510 A CA 1.481 53.358 52.037 -0.266 0.000 0.628 510 A CB -0.740 18.222 19.000 -0.063 0.000 0.816 510 A HN 0.449 nan 8.150 nan 0.000 0.444 511 N N -0.735 117.740 118.700 -0.376 0.000 2.244 511 N HA -0.108 4.634 4.740 0.003 0.000 0.183 511 N C 1.327 176.458 175.510 -0.632 0.000 1.016 511 N CA 1.308 53.887 53.050 -0.784 0.000 0.866 511 N CB -0.599 37.070 38.487 -1.364 0.000 0.980 511 N HN 0.554 nan 8.380 nan 0.000 0.430 512 F N 1.958 121.609 119.950 -0.499 0.000 2.075 512 F HA -0.094 4.435 4.527 0.003 0.000 0.297 512 F C 1.932 177.511 175.800 -0.369 0.000 1.113 512 F CA 1.077 58.848 58.000 -0.382 0.000 1.218 512 F CB -0.229 38.622 39.000 -0.248 0.000 0.984 512 F HN -0.153 nan 8.300 nan 0.000 0.472 513 I N 1.079 121.294 120.570 -0.592 0.000 2.208 513 I HA -0.279 3.893 4.170 0.003 0.000 0.245 513 I C 2.613 178.389 176.117 -0.568 0.000 1.097 513 I CA 2.118 63.084 61.300 -0.556 0.000 1.363 513 I CB -2.171 35.572 38.000 -0.429 0.000 1.051 513 I HN 0.381 nan 8.210 nan 0.000 0.413 514 T N -1.489 112.690 114.554 -0.625 0.000 2.904 514 T HA -0.107 4.245 4.350 0.003 0.000 0.267 514 T C 1.756 175.953 174.700 -0.839 0.000 1.059 514 T CA 1.132 62.610 62.100 -1.038 0.000 1.137 514 T CB -0.535 68.022 68.868 -0.517 0.000 0.879 514 T HN 0.114 nan 8.240 nan 0.000 0.467 515 N N 2.324 120.753 118.700 -0.451 0.000 2.149 515 N HA -0.001 4.740 4.740 0.003 0.000 0.188 515 N C 2.008 177.434 175.510 -0.141 0.000 1.019 515 N CA 1.458 54.398 53.050 -0.184 0.000 0.857 515 N CB -0.733 37.730 38.487 -0.039 0.000 0.997 515 N HN 0.593 nan 8.380 nan 0.000 0.426 516 A N -0.215 122.416 122.820 -0.316 0.000 2.019 516 A HA -0.063 4.259 4.320 0.003 0.000 0.219 516 A C 1.143 178.777 177.584 0.083 0.000 1.164 516 A CA 1.060 53.032 52.037 -0.109 0.000 0.644 516 A CB -0.805 18.067 19.000 -0.214 0.000 0.805 516 A HN 0.483 nan 8.150 nan 0.000 0.449 517 F N -2.958 116.999 119.950 0.011 0.000 2.850 517 F HA 0.569 5.098 4.527 0.003 0.000 0.306 517 F C 0.966 176.780 175.800 0.023 0.000 1.162 517 F CA -0.433 57.584 58.000 0.028 0.000 1.327 517 F CB -0.414 38.596 39.000 0.018 0.000 0.953 517 F HN 0.197 nan 8.300 nan 0.000 0.507 518 G N 1.036 109.817 108.800 -0.032 0.000 2.198 518 G HA2 -0.259 3.703 3.960 0.003 0.000 0.257 518 G HA3 -0.259 3.703 3.960 0.003 0.000 0.257 518 G C 0.410 175.265 174.900 -0.074 0.000 1.042 518 G CA 0.253 45.324 45.100 -0.049 0.000 0.791 518 G HN 0.445 nan 8.290 nan 0.000 0.502 519 Q N -1.681 118.018 119.800 -0.168 0.000 2.165 519 Q HA 0.472 4.814 4.340 0.003 0.000 0.245 519 Q C 0.781 176.774 176.000 -0.012 0.000 0.841 519 Q CA -0.185 55.559 55.803 -0.099 0.000 1.078 519 Q CB 0.243 28.921 28.738 -0.100 0.000 1.169 519 Q HN 0.662 nan 8.270 nan 0.000 0.475 520 F N -0.118 119.702 119.950 -0.217 0.000 1.901 520 F HA 0.254 4.782 4.527 0.003 0.000 0.239 520 F C -0.387 175.301 175.800 -0.186 0.000 1.133 520 F CA -0.122 57.775 58.000 -0.170 0.000 1.271 520 F CB 0.519 39.425 39.000 -0.157 0.000 1.652 520 F HN -0.168 nan 8.300 nan 0.000 0.543 521 D N 2.042 122.262 120.400 -0.300 0.000 2.382 521 D HA 0.150 4.791 4.640 0.003 0.000 0.245 521 D C -0.726 175.121 176.300 -0.755 0.000 1.120 521 D CA 0.257 53.956 54.000 -0.502 0.000 0.890 521 D CB 0.355 41.003 40.800 -0.254 0.000 1.201 521 D HN 0.287 nan 8.370 nan 0.000 0.433 522 N N 1.305 119.607 118.700 -0.664 0.000 2.400 522 N HA 0.279 5.020 4.740 0.003 0.000 0.288 522 N C -0.982 174.211 175.510 -0.528 0.000 1.024 522 N CA -0.529 52.180 53.050 -0.568 0.000 0.894 522 N CB 1.150 39.441 38.487 -0.326 0.000 1.173 522 N HN 0.246 nan 8.380 nan 0.000 0.487 523 Y N -0.415 119.864 120.300 -0.035 0.000 2.598 523 Y HA 0.316 4.868 4.550 0.003 0.000 0.340 523 Y C 1.038 176.977 175.900 0.064 0.000 1.038 523 Y CA -1.137 56.956 58.100 -0.011 0.000 1.100 523 Y CB 0.637 39.078 38.460 -0.032 0.000 1.281 523 Y HN 0.365 nan 8.280 nan 0.000 0.488 524 T N -1.821 112.870 114.554 0.228 0.000 2.904 524 T HA 0.206 4.558 4.350 0.003 0.000 0.290 524 T C -2.114 172.699 174.700 0.187 0.000 1.018 524 T CA -1.768 60.441 62.100 0.182 0.000 1.075 524 T CB 1.268 70.196 68.868 0.099 0.000 0.986 524 T HN 0.304 nan 8.240 nan 0.000 0.523 525 P HA -0.174 nan 4.420 nan 0.000 0.216 525 P C 1.608 178.959 177.300 0.085 0.000 1.154 525 P CA 1.125 64.275 63.100 0.083 0.000 0.865 525 P CB -0.086 31.635 31.700 0.034 0.000 0.789 526 M N -0.738 118.909 119.600 0.077 0.000 2.132 526 M HA -0.171 4.311 4.480 0.003 0.000 0.263 526 M C 2.048 178.393 176.300 0.076 0.000 1.065 526 M CA 1.814 57.155 55.300 0.069 0.000 1.122 526 M CB -1.031 31.605 32.600 0.060 0.000 1.365 526 M HN -0.142 nan 8.290 nan 0.000 0.411 527 Q N -0.173 119.673 119.800 0.078 0.000 2.061 527 Q HA -0.193 4.148 4.340 0.003 0.000 0.204 527 Q C 2.116 178.165 176.000 0.081 0.000 0.984 527 Q CA 2.054 57.889 55.803 0.053 0.000 0.846 527 Q CB -0.513 28.231 28.738 0.010 0.000 0.902 527 Q HN 0.516 nan 8.270 nan 0.000 0.421 528 L N 0.101 121.393 121.223 0.115 0.000 2.079 528 L HA -0.216 4.125 4.340 0.003 0.000 0.210 528 L C 2.459 179.447 176.870 0.197 0.000 1.081 528 L CA 1.040 55.994 54.840 0.189 0.000 0.752 528 L CB -0.525 41.646 42.059 0.186 0.000 0.896 528 L HN 0.235 nan 8.230 nan 0.000 0.433 529 A N -0.680 122.213 122.820 0.122 0.000 1.930 529 A HA -0.250 4.072 4.320 0.003 0.000 0.217 529 A C 2.270 179.905 177.584 0.084 0.000 1.175 529 A CA 1.584 53.672 52.037 0.085 0.000 0.627 529 A CB -0.483 18.552 19.000 0.058 0.000 0.815 529 A HN 0.493 nan 8.150 nan 0.000 0.443 530 Q N -1.575 118.286 119.800 0.102 0.000 2.050 530 Q HA -0.253 4.089 4.340 0.003 0.000 0.202 530 Q C 1.929 178.031 176.000 0.171 0.000 0.980 530 Q CA 2.069 57.936 55.803 0.106 0.000 0.840 530 Q CB -0.453 28.342 28.738 0.095 0.000 0.898 530 Q HN 0.710 nan 8.270 nan 0.000 0.424 531 Y N 0.710 121.054 120.300 0.074 0.000 2.014 531 Y HA -0.301 4.250 4.550 0.003 0.000 0.272 531 Y C 2.086 178.068 175.900 0.137 0.000 1.164 531 Y CA 1.931 60.102 58.100 0.119 0.000 1.114 531 Y CB -1.032 37.434 38.460 0.012 0.000 0.961 531 Y HN 0.074 nan 8.280 nan 0.000 0.489 532 V N 1.001 120.762 119.914 -0.255 0.000 2.626 532 V HA -0.120 4.002 4.120 0.003 0.000 0.252 532 V C 2.381 178.428 176.094 -0.079 0.000 1.067 532 V CA 1.775 63.915 62.300 -0.267 0.000 1.081 532 V CB -1.184 30.576 31.823 -0.105 0.000 0.686 532 V HN 0.644 nan 8.190 nan 0.000 0.468 533 A N -0.718 122.090 122.820 -0.019 0.000 1.969 533 A HA -0.170 4.151 4.320 0.003 0.000 0.218 533 A C 2.300 179.866 177.584 -0.030 0.000 1.169 533 A CA 2.347 54.370 52.037 -0.023 0.000 0.635 533 A CB -0.926 18.076 19.000 0.004 0.000 0.810 533 A HN 0.536 nan 8.150 nan 0.000 0.445 534 T N 0.299 114.876 114.554 0.038 0.000 2.867 534 T HA -0.031 4.321 4.350 0.003 0.000 0.268 534 T C 1.736 176.461 174.700 0.041 0.000 1.057 534 T CA 1.325 63.464 62.100 0.066 0.000 1.136 534 T CB -0.356 68.614 68.868 0.169 0.000 0.874 534 T HN 0.452 nan 8.240 nan 0.000 0.466 535 I N 1.363 121.924 120.570 -0.015 0.000 2.202 535 I HA -0.123 4.049 4.170 0.003 0.000 0.242 535 I C 2.889 178.785 176.117 -0.369 0.000 1.091 535 I CA 1.072 62.265 61.300 -0.178 0.000 1.368 535 I CB -0.459 37.319 38.000 -0.370 0.000 1.058 535 I HN 0.173 nan 8.210 nan 0.000 0.410 536 A N 0.261 122.783 122.820 -0.497 0.000 2.067 536 A HA -0.173 4.149 4.320 0.003 0.000 0.219 536 A C 1.652 179.085 177.584 -0.253 0.000 1.158 536 A CA 1.519 53.153 52.037 -0.672 0.000 0.661 536 A CB -0.599 18.047 19.000 -0.591 0.000 0.801 536 A HN 0.427 nan 8.150 nan 0.000 0.452 537 N N 0.633 119.252 118.700 -0.135 0.000 2.380 537 N HA 0.060 4.802 4.740 0.003 0.000 0.255 537 N C -0.283 175.212 175.510 -0.025 0.000 1.158 537 N CA -0.136 52.878 53.050 -0.060 0.000 0.878 537 N CB -0.543 37.920 38.487 -0.040 0.000 1.138 537 N HN 0.265 nan 8.380 nan 0.000 0.509 538 N N 0.305 119.014 118.700 0.015 0.000 2.678 538 N HA -0.220 4.522 4.740 0.003 0.000 0.249 538 N C 0.715 176.239 175.510 0.023 0.000 1.119 538 N CA 1.436 54.510 53.050 0.040 0.000 0.718 538 N CB -1.347 37.117 38.487 -0.037 0.000 1.060 538 N HN 0.615 nan 8.380 nan 0.000 0.552 539 G N -2.764 106.049 108.800 0.022 0.000 2.176 539 G HA2 -0.270 3.692 3.960 0.003 0.000 0.232 539 G HA3 -0.270 3.692 3.960 0.003 0.000 0.232 539 G C -0.117 174.749 174.900 -0.057 0.000 0.986 539 G CA 0.086 45.176 45.100 -0.017 0.000 0.643 539 G HN 0.402 nan 8.290 nan 0.000 0.522 540 V N 1.953 121.846 119.914 -0.035 0.000 2.320 540 V HA 0.424 4.546 4.120 0.003 0.000 0.265 540 V C 1.022 177.102 176.094 -0.023 0.000 1.048 540 V CA -0.541 61.739 62.300 -0.033 0.000 0.865 540 V CB 1.029 32.838 31.823 -0.022 0.000 1.043 540 V HN 0.456 nan 8.190 nan 0.000 0.474 541 R N 5.385 125.867 120.500 -0.030 0.000 2.401 541 R HA 0.452 4.794 4.340 0.003 0.000 0.299 541 R C -0.975 175.331 176.300 0.011 0.000 1.064 541 R CA -0.160 55.937 56.100 -0.007 0.000 1.000 541 R CB 0.351 30.640 30.300 -0.018 0.000 0.973 541 R HN 0.659 nan 8.270 nan 0.000 0.438 542 L N 3.737 124.977 121.223 0.028 0.000 2.329 542 L HA 0.526 4.868 4.340 0.003 0.000 0.279 542 L C 0.059 176.967 176.870 0.062 0.000 1.014 542 L CA -1.246 53.620 54.840 0.044 0.000 0.814 542 L CB 1.925 44.013 42.059 0.050 0.000 1.257 542 L HN 0.724 nan 8.230 nan 0.000 0.424 543 A N 4.063 126.927 122.820 0.074 0.000 2.454 543 A HA 0.505 4.827 4.320 0.003 0.000 0.260 543 A C -2.330 175.336 177.584 0.136 0.000 1.106 543 A CA -1.030 51.061 52.037 0.090 0.000 0.780 543 A CB -0.509 18.540 19.000 0.082 0.000 1.044 543 A HN 0.383 nan 8.150 nan 0.000 0.498 544 P HA 0.341 nan 4.420 nan 0.000 0.271 544 P C -0.863 176.535 177.300 0.163 0.000 1.216 544 P CA 0.348 63.501 63.100 0.088 0.000 0.776 544 P CB 0.449 32.179 31.700 0.051 0.000 0.881 545 H N -0.555 118.553 119.070 0.063 0.000 2.679 545 H HA 0.541 5.098 4.556 0.003 0.000 0.360 545 H C 0.019 175.396 175.328 0.083 0.000 1.105 545 H CA -0.882 55.219 56.048 0.090 0.000 1.196 545 H CB 0.853 30.675 29.762 0.099 0.000 1.636 545 H HN 0.138 nan 8.280 nan 0.000 0.531 546 I N 2.078 122.738 120.570 0.149 0.000 3.427 546 I HA 0.059 4.230 4.170 0.003 0.000 0.288 546 I C -0.158 176.010 176.117 0.085 0.000 1.249 546 I CA 0.155 61.502 61.300 0.077 0.000 1.421 546 I CB 0.624 38.686 38.000 0.103 0.000 1.086 546 I HN 0.349 nan 8.210 nan 0.000 0.448 547 V N 1.865 121.871 119.914 0.153 0.000 2.394 547 V HA 0.104 4.226 4.120 0.003 0.000 0.282 547 V C 1.239 177.475 176.094 0.236 0.000 1.031 547 V CA -0.262 62.080 62.300 0.070 0.000 0.881 547 V CB 1.803 33.483 31.823 -0.238 0.000 0.982 547 V HN 0.204 nan 8.190 nan 0.000 0.451 548 E N 3.121 123.430 120.200 0.182 0.000 2.076 548 E HA 0.126 4.478 4.350 0.003 0.000 0.190 548 E C 0.670 177.377 176.600 0.178 0.000 0.979 548 E CA 1.126 57.663 56.400 0.229 0.000 0.807 548 E CB 0.725 30.544 29.700 0.197 0.000 0.761 548 E HN 0.888 nan 8.360 nan 0.000 0.454 549 G N -0.129 108.779 108.800 0.180 0.000 2.466 549 G HA2 0.389 4.351 3.960 0.003 0.000 0.291 549 G HA3 0.389 4.351 3.960 0.003 0.000 0.291 549 G C -1.500 173.450 174.900 0.085 0.000 1.460 549 G CA -0.814 44.329 45.100 0.071 0.000 0.791 549 G HN 0.051 nan 8.290 nan 0.000 0.505 550 I N 0.815 121.327 120.570 -0.096 0.000 2.331 550 I HA 0.434 4.606 4.170 0.003 0.000 0.292 550 I C -0.894 175.116 176.117 -0.179 0.000 0.998 550 I CA -0.548 60.735 61.300 -0.029 0.000 1.267 550 I CB 1.017 39.011 38.000 -0.010 0.000 1.386 550 I HN 0.398 nan 8.210 nan 0.000 0.476 551 Y N 4.034 124.344 120.300 0.017 0.000 2.446 551 Y HA 0.311 4.863 4.550 0.003 0.000 0.345 551 Y C 0.316 176.225 175.900 0.014 0.000 0.984 551 Y CA -0.926 57.179 58.100 0.007 0.000 1.058 551 Y CB 1.435 39.889 38.460 -0.010 0.000 1.220 551 Y HN 0.479 nan 8.280 nan 0.000 0.455 552 D N 1.033 121.513 120.400 0.133 0.000 2.393 552 D HA 0.065 4.707 4.640 0.003 0.000 0.246 552 D C -0.860 175.493 176.300 0.089 0.000 1.275 552 D CA 0.204 54.254 54.000 0.084 0.000 0.979 552 D CB 0.637 41.465 40.800 0.047 0.000 1.101 552 D HN 0.671 nan 8.370 nan 0.000 0.505 553 N N 0.242 118.978 118.700 0.060 0.000 2.443 553 N HA 0.218 4.960 4.740 0.003 0.000 0.295 553 N C -0.264 175.267 175.510 0.034 0.000 1.076 553 N CA -0.790 52.290 53.050 0.051 0.000 0.919 553 N CB 1.075 39.592 38.487 0.051 0.000 1.176 553 N HN 0.372 nan 8.380 nan 0.000 0.487 554 N N 0.481 119.195 118.700 0.024 0.000 2.495 554 N HA 0.217 4.959 4.740 0.003 0.000 0.294 554 N C 0.087 175.611 175.510 0.024 0.000 1.276 554 N CA -0.258 52.802 53.050 0.017 0.000 0.973 554 N CB 0.088 38.576 38.487 0.001 0.000 1.143 554 N HN 0.294 nan 8.380 nan 0.000 0.589 555 D N -0.590 119.822 120.400 0.020 0.000 2.192 555 D HA -0.201 4.441 4.640 0.003 0.000 0.189 555 D C 0.808 177.127 176.300 0.032 0.000 1.007 555 D CA 2.103 56.117 54.000 0.023 0.000 0.859 555 D CB -0.116 40.695 40.800 0.019 0.000 0.936 555 D HN 0.648 nan 8.370 nan 0.000 0.447 556 K N -1.417 119.003 120.400 0.034 0.000 2.374 556 K HA 0.354 4.676 4.320 0.003 0.000 0.196 556 K C 1.051 177.687 176.600 0.062 0.000 1.023 556 K CA 0.494 56.809 56.287 0.046 0.000 1.103 556 K CB 1.029 33.554 32.500 0.042 0.000 0.848 556 K HN 0.177 nan 8.250 nan 0.000 0.528 557 G N 0.773 109.608 108.800 0.058 0.000 2.141 557 G HA2 -0.219 3.743 3.960 0.003 0.000 0.231 557 G HA3 -0.219 3.743 3.960 0.003 0.000 0.231 557 G C 0.364 175.319 174.900 0.091 0.000 0.984 557 G CA -0.295 44.848 45.100 0.072 0.000 0.660 557 G HN 0.489 nan 8.290 nan 0.000 0.525 558 G N -1.027 107.813 108.800 0.067 0.000 2.535 558 G HA2 0.579 4.541 3.960 0.003 0.000 0.303 558 G HA3 0.579 4.541 3.960 0.003 0.000 0.303 558 G C 0.457 175.322 174.900 -0.058 0.000 1.237 558 G CA -0.821 44.309 45.100 0.051 0.000 0.986 558 G HN 0.751 nan 8.290 nan 0.000 0.494 559 L N 1.844 122.885 121.223 -0.304 0.000 2.825 559 L HA 0.039 4.381 4.340 0.003 0.000 0.278 559 L C 1.520 178.287 176.870 -0.171 0.000 1.125 559 L CA 0.130 54.713 54.840 -0.428 0.000 1.023 559 L CB -0.611 40.952 42.059 -0.827 0.000 1.377 559 L HN 0.691 nan 8.230 nan 0.000 0.471 560 G N 5.061 113.839 108.800 -0.036 0.000 2.935 560 G HA2 0.109 4.071 3.960 0.003 0.000 0.157 560 G HA3 0.109 4.071 3.960 0.003 0.000 0.157 560 G C -0.178 174.776 174.900 0.090 0.000 1.712 560 G CA -0.271 44.844 45.100 0.025 0.000 1.071 560 G HN 0.648 nan 8.290 nan 0.000 0.539 561 E N -1.244 119.028 120.200 0.120 0.000 2.281 561 E HA 0.397 4.749 4.350 0.003 0.000 0.262 561 E C -1.100 175.557 176.600 0.095 0.000 0.933 561 E CA -0.997 55.495 56.400 0.154 0.000 0.809 561 E CB 2.445 32.184 29.700 0.064 0.000 1.242 561 E HN 0.213 nan 8.360 nan 0.000 0.418 562 L N 2.635 123.836 121.223 -0.036 0.000 2.534 562 L HA -0.002 4.340 4.340 0.003 0.000 0.271 562 L C 0.489 177.196 176.870 -0.271 0.000 1.178 562 L CA 0.569 55.128 54.840 -0.469 0.000 0.907 562 L CB 0.104 41.921 42.059 -0.404 0.000 1.164 562 L HN 0.604 nan 8.230 nan 0.000 0.482 563 I N 2.514 122.907 120.570 -0.295 0.000 2.512 563 I HA 0.084 4.256 4.170 0.003 0.000 0.247 563 I C 0.580 176.604 176.117 -0.155 0.000 1.094 563 I CA 0.547 61.755 61.300 -0.153 0.000 1.427 563 I CB -0.270 37.675 38.000 -0.091 0.000 1.149 563 I HN 0.700 nan 8.210 nan 0.000 0.438 564 Q N 1.059 120.738 119.800 -0.202 0.000 2.268 564 Q HA 0.592 4.934 4.340 0.003 0.000 0.266 564 Q C -1.410 174.496 176.000 -0.156 0.000 1.006 564 Q CA -0.467 55.253 55.803 -0.138 0.000 0.824 564 Q CB 2.743 31.438 28.738 -0.072 0.000 1.306 564 Q HN 0.271 nan 8.270 nan 0.000 0.424 565 A N 4.532 127.282 122.820 -0.116 0.000 2.388 565 A HA 0.444 4.765 4.320 0.003 0.000 0.257 565 A C -0.105 177.444 177.584 -0.057 0.000 1.095 565 A CA -0.418 51.574 52.037 -0.076 0.000 0.791 565 A CB 0.239 19.211 19.000 -0.045 0.000 1.029 565 A HN 0.806 nan 8.150 nan 0.000 0.489 566 I N 3.061 123.600 120.570 -0.053 0.000 2.329 566 I HA 0.055 4.226 4.170 0.003 0.000 0.295 566 I C -0.334 175.658 176.117 -0.209 0.000 1.109 566 I CA -0.250 60.979 61.300 -0.118 0.000 1.297 566 I CB 0.129 38.053 38.000 -0.127 0.000 1.433 566 I HN 0.558 nan 8.210 nan 0.000 0.509 567 D N 5.091 125.407 120.400 -0.140 0.000 2.341 567 D HA 0.096 4.737 4.640 0.003 0.000 0.245 567 D C 0.376 176.595 176.300 -0.136 0.000 1.106 567 D CA 0.032 53.968 54.000 -0.106 0.000 0.905 567 D CB 1.048 41.813 40.800 -0.057 0.000 1.202 567 D HN 0.381 nan 8.370 nan 0.000 0.426 568 T N 1.878 116.394 114.554 -0.064 0.000 2.939 568 T HA -0.035 4.317 4.350 0.003 0.000 0.312 568 T C 0.615 175.304 174.700 -0.018 0.000 1.064 568 T CA 0.524 62.616 62.100 -0.013 0.000 1.136 568 T CB 0.380 69.264 68.868 0.027 0.000 1.035 568 T HN 0.239 nan 8.240 nan 0.000 0.538 569 K N 2.844 123.248 120.400 0.007 0.000 2.604 569 K HA 0.228 4.550 4.320 0.003 0.000 0.247 569 K C -0.666 175.945 176.600 0.019 0.000 0.956 569 K CA -0.508 55.782 56.287 0.006 0.000 0.896 569 K CB 0.906 33.407 32.500 0.001 0.000 1.131 569 K HN 0.582 nan 8.250 nan 0.000 0.440 570 E N 4.860 125.065 120.200 0.009 0.000 2.259 570 E HA 0.125 4.476 4.350 0.003 0.000 0.281 570 E C 0.529 177.131 176.600 0.003 0.000 1.037 570 E CA -0.138 56.266 56.400 0.006 0.000 0.854 570 E CB 1.268 30.967 29.700 -0.002 0.000 1.051 570 E HN 0.564 nan 8.360 nan 0.000 0.409 571 I N 1.922 122.495 120.570 0.004 0.000 2.810 571 I HA -0.018 4.154 4.170 0.003 0.000 0.262 571 I C 0.831 176.943 176.117 -0.007 0.000 1.131 571 I CA 0.335 61.637 61.300 0.002 0.000 1.453 571 I CB 0.025 38.030 38.000 0.008 0.000 1.161 571 I HN 0.578 nan 8.210 nan 0.000 0.444 572 N N 0.704 119.394 118.700 -0.016 0.000 3.127 572 N HA 0.179 4.921 4.740 0.003 0.000 0.239 572 N C -1.434 174.050 175.510 -0.043 0.000 1.407 572 N CA -0.772 52.261 53.050 -0.028 0.000 0.891 572 N CB 2.521 40.989 38.487 -0.031 0.000 1.447 572 N HN -0.145 nan 8.380 nan 0.000 0.507 573 K N 1.575 121.946 120.400 -0.048 0.000 2.358 573 K HA 0.312 4.633 4.320 0.003 0.000 0.260 573 K C -0.102 176.451 176.600 -0.079 0.000 0.956 573 K CA -0.711 55.540 56.287 -0.061 0.000 0.834 573 K CB 1.501 33.977 32.500 -0.041 0.000 1.102 573 K HN 0.487 nan 8.250 nan 0.000 0.431 574 V N 1.641 121.473 119.914 -0.137 0.000 2.673 574 V HA 0.049 4.170 4.120 0.003 0.000 0.303 574 V C 0.338 176.399 176.094 -0.054 0.000 1.046 574 V CA -0.470 61.733 62.300 -0.161 0.000 1.126 574 V CB 0.619 32.212 31.823 -0.385 0.000 0.934 574 V HN 0.783 nan 8.190 nan 0.000 0.487 575 N N 4.777 123.471 118.700 -0.011 0.000 3.103 575 N HA 0.300 5.042 4.740 0.003 0.000 0.305 575 N C -0.468 175.086 175.510 0.074 0.000 1.232 575 N CA -0.178 52.888 53.050 0.027 0.000 1.190 575 N CB -0.784 37.723 38.487 0.033 0.000 1.461 575 N HN 0.878 nan 8.380 nan 0.000 0.538 576 I N -1.890 118.725 120.570 0.074 0.000 2.769 576 I HA 0.587 4.759 4.170 0.003 0.000 0.298 576 I C 0.258 176.370 176.117 -0.008 0.000 1.128 576 I CA -1.154 60.196 61.300 0.084 0.000 1.031 576 I CB 1.793 39.925 38.000 0.220 0.000 1.235 576 I HN 0.068 nan 8.210 nan 0.000 0.423 577 S N 2.732 118.385 115.700 -0.080 0.000 2.580 577 S HA 0.127 4.598 4.470 0.003 0.000 0.261 577 S C 0.834 175.362 174.600 -0.120 0.000 1.366 577 S CA -0.181 57.955 58.200 -0.107 0.000 0.996 577 S CB 0.662 63.771 63.200 -0.151 0.000 0.902 577 S HN 0.762 nan 8.310 nan 0.000 0.566 578 E N 1.143 121.278 120.200 -0.108 0.000 2.077 578 E HA -0.112 4.240 4.350 0.003 0.000 0.193 578 E C 2.477 178.992 176.600 -0.142 0.000 0.989 578 E CA 1.659 57.992 56.400 -0.110 0.000 0.800 578 E CB -0.862 28.780 29.700 -0.097 0.000 0.746 578 E HN 0.860 nan 8.360 nan 0.000 0.452 579 S N 1.031 116.633 115.700 -0.163 0.000 2.406 579 S HA -0.113 4.359 4.470 0.003 0.000 0.228 579 S C 1.499 175.945 174.600 -0.257 0.000 1.020 579 S CA 0.960 59.054 58.200 -0.176 0.000 0.965 579 S CB -0.075 63.035 63.200 -0.150 0.000 0.798 579 S HN -0.014 nan 8.310 nan 0.000 0.488 580 D N 1.649 121.794 120.400 -0.425 0.000 2.097 580 D HA -0.060 4.582 4.640 0.003 0.000 0.195 580 D C 1.811 177.904 176.300 -0.345 0.000 0.989 580 D CA 1.379 54.889 54.000 -0.815 0.000 0.827 580 D CB -0.487 39.541 40.800 -1.287 0.000 0.966 580 D HN 0.415 nan 8.370 nan 0.000 0.456 581 M N 0.918 120.444 119.600 -0.123 0.000 2.202 581 M HA -0.082 4.400 4.480 0.003 0.000 0.262 581 M C 1.768 178.153 176.300 0.142 0.000 1.063 581 M CA 1.338 56.690 55.300 0.087 0.000 1.097 581 M CB -0.336 32.304 32.600 0.067 0.000 1.382 581 M HN -0.017 nan 8.290 nan 0.000 0.413 582 A N -0.473 122.329 122.820 -0.031 0.000 2.014 582 A HA -0.017 4.305 4.320 0.003 0.000 0.218 582 A C 2.144 179.766 177.584 0.063 0.000 1.163 582 A CA 1.397 53.404 52.037 -0.051 0.000 0.652 582 A CB -0.948 17.981 19.000 -0.118 0.000 0.808 582 A HN 0.594 nan 8.150 nan 0.000 0.449 583 I N -0.173 120.437 120.570 0.066 0.000 2.252 583 I HA -0.238 3.933 4.170 0.003 0.000 0.245 583 I C 2.244 178.489 176.117 0.214 0.000 1.102 583 I CA 0.943 62.331 61.300 0.147 0.000 1.385 583 I CB -0.234 37.883 38.000 0.196 0.000 1.064 583 I HN 0.301 nan 8.210 nan 0.000 0.414 584 L N -0.390 120.981 121.223 0.247 0.000 2.046 584 L HA -0.251 4.091 4.340 0.003 0.000 0.208 584 L C 2.649 179.499 176.870 -0.033 0.000 1.077 584 L CA 1.446 56.341 54.840 0.091 0.000 0.747 584 L CB -1.175 40.893 42.059 0.015 0.000 0.896 584 L HN 0.368 nan 8.230 nan 0.000 0.432 585 H N -0.566 118.487 119.070 -0.029 0.000 2.353 585 H HA -0.216 4.342 4.556 0.003 0.000 0.300 585 H C 2.341 177.754 175.328 0.142 0.000 1.090 585 H CA 1.854 57.935 56.048 0.055 0.000 1.327 585 H CB 0.162 29.951 29.762 0.045 0.000 1.383 585 H HN 0.295 nan 8.280 nan 0.000 0.508 586 Q N 0.931 120.869 119.800 0.230 0.000 2.167 586 Q HA -0.050 4.292 4.340 0.003 0.000 0.202 586 Q C 2.506 178.649 176.000 0.239 0.000 0.970 586 Q CA 1.373 57.293 55.803 0.195 0.000 0.855 586 Q CB -0.488 28.315 28.738 0.108 0.000 0.911 586 Q HN 0.450 nan 8.270 nan 0.000 0.438 587 G N -0.514 108.414 108.800 0.213 0.000 2.459 587 G HA2 -0.247 3.715 3.960 0.003 0.000 0.217 587 G HA3 -0.247 3.715 3.960 0.003 0.000 0.217 587 G C 0.954 176.060 174.900 0.343 0.000 1.183 587 G CA 0.812 46.049 45.100 0.229 0.000 0.776 587 G HN 0.392 nan 8.290 nan 0.000 0.552 588 F N -0.546 119.442 119.950 0.064 0.000 2.325 588 F HA 0.141 4.670 4.527 0.003 0.000 0.299 588 F C 2.198 177.990 175.800 -0.014 0.000 1.090 588 F CA -0.467 57.520 58.000 -0.022 0.000 1.392 588 F CB -0.807 38.128 39.000 -0.107 0.000 1.053 588 F HN 0.260 nan 8.300 nan 0.000 0.521 589 Y N 0.934 121.329 120.300 0.158 0.000 2.200 589 Y HA -0.218 4.334 4.550 0.003 0.000 0.290 589 Y C 2.287 178.260 175.900 0.122 0.000 1.137 589 Y CA 1.859 59.995 58.100 0.060 0.000 1.163 589 Y CB -0.402 38.056 38.460 -0.003 0.000 0.988 589 Y HN 0.077 nan 8.280 nan 0.000 0.518 590 Q N -1.030 118.871 119.800 0.168 0.000 2.311 590 Q HA -0.082 4.259 4.340 0.003 0.000 0.203 590 Q C 2.234 178.277 176.000 0.071 0.000 0.954 590 Q CA 1.010 56.877 55.803 0.105 0.000 0.885 590 Q CB 0.067 28.894 28.738 0.147 0.000 0.963 590 Q HN 0.363 nan 8.270 nan 0.000 0.471 591 V N 0.832 120.790 119.914 0.074 0.000 2.469 591 V HA -0.241 3.881 4.120 0.003 0.000 0.251 591 V C 2.037 178.180 176.094 0.081 0.000 1.064 591 V CA 2.188 64.531 62.300 0.072 0.000 1.066 591 V CB -0.283 31.553 31.823 0.021 0.000 0.667 591 V HN 0.444 nan 8.190 nan 0.000 0.461 592 S N -2.118 113.613 115.700 0.052 0.000 2.523 592 S HA 0.077 4.549 4.470 0.003 0.000 0.217 592 S C 1.225 175.686 174.600 -0.232 0.000 0.996 592 S CA 0.019 58.227 58.200 0.013 0.000 0.921 592 S CB -0.041 63.162 63.200 0.005 0.000 0.829 592 S HN 0.703 nan 8.310 nan 0.000 0.495 593 H N 0.847 119.778 119.070 -0.231 0.000 3.058 593 H HA 0.477 5.035 4.556 0.003 0.000 0.266 593 H C 1.182 176.448 175.328 -0.103 0.000 1.135 593 H CA -0.127 55.770 56.048 -0.252 0.000 1.174 593 H CB 0.325 29.718 29.762 -0.615 0.000 1.581 593 H HN 0.459 nan 8.280 nan 0.000 0.553 594 G N 0.021 108.850 108.800 0.048 0.000 2.599 594 G HA2 0.314 4.276 3.960 0.003 0.000 0.264 594 G HA3 0.314 4.276 3.960 0.003 0.000 0.264 594 G C 0.809 175.746 174.900 0.062 0.000 1.200 594 G CA 0.194 45.344 45.100 0.083 0.000 0.896 594 G HN 0.350 nan 8.290 nan 0.000 0.536 595 T N -3.111 111.484 114.554 0.069 0.000 3.058 595 T HA 0.318 4.669 4.350 0.003 0.000 0.278 595 T C 1.020 175.732 174.700 0.019 0.000 0.974 595 T CA 0.416 62.539 62.100 0.039 0.000 0.893 595 T CB 0.109 69.001 68.868 0.039 0.000 1.138 595 T HN 0.638 nan 8.240 nan 0.000 0.529 596 S N 2.030 117.747 115.700 0.028 0.000 2.593 596 S HA 0.316 4.787 4.470 0.003 0.000 0.269 596 S C -1.706 172.839 174.600 -0.092 0.000 1.334 596 S CA -1.034 57.129 58.200 -0.061 0.000 1.015 596 S CB 0.901 64.047 63.200 -0.089 0.000 0.912 596 S HN 0.012 nan 8.310 nan 0.000 0.541 597 P HA 0.096 nan 4.420 nan 0.000 0.231 597 P C 0.339 177.559 177.300 -0.133 0.000 1.158 597 P CA 0.869 63.900 63.100 -0.115 0.000 0.763 597 P CB -0.008 31.629 31.700 -0.105 0.000 0.805 598 L N -2.763 118.260 121.223 -0.333 0.000 2.808 598 L HA 0.158 4.500 4.340 0.003 0.000 0.246 598 L C 0.365 177.347 176.870 0.186 0.000 1.153 598 L CA 0.007 54.695 54.840 -0.253 0.000 0.956 598 L CB -0.274 41.069 42.059 -1.193 0.000 1.270 598 L HN -0.240 nan 8.230 nan 0.000 0.528 599 T N 0.643 115.294 114.554 0.161 0.000 2.817 599 T HA 0.031 4.383 4.350 0.003 0.000 0.295 599 T C 1.493 176.274 174.700 0.135 0.000 0.958 599 T CA 0.441 62.672 62.100 0.218 0.000 1.157 599 T CB 1.129 70.071 68.868 0.124 0.000 0.898 599 T HN 0.365 nan 8.240 nan 0.000 0.536 600 T N 0.328 114.956 114.554 0.124 0.000 3.035 600 T HA 0.162 4.514 4.350 0.003 0.000 0.259 600 T C 1.648 176.275 174.700 -0.122 0.000 1.078 600 T CA 0.383 62.455 62.100 -0.047 0.000 1.132 600 T CB 0.199 69.032 68.868 -0.058 0.000 0.900 600 T HN 0.581 nan 8.240 nan 0.000 0.480 601 G N 0.532 109.307 108.800 -0.043 0.000 4.044 601 G HA2 0.275 4.237 3.960 0.003 0.000 0.297 601 G HA3 0.275 4.237 3.960 0.003 0.000 0.297 601 G C 1.131 175.989 174.900 -0.071 0.000 1.101 601 G CA -0.629 44.420 45.100 -0.086 0.000 0.884 601 G HN 0.323 nan 8.290 nan 0.000 0.538 602 R N 0.299 120.738 120.500 -0.102 0.000 2.159 602 R HA -0.080 4.262 4.340 0.003 0.000 0.237 602 R C 2.809 179.030 176.300 -0.132 0.000 1.131 602 R CA 1.188 57.225 56.100 -0.104 0.000 0.982 602 R CB -0.022 30.226 30.300 -0.088 0.000 0.868 602 R HN 0.364 nan 8.270 nan 0.000 0.453 603 A N 0.854 123.551 122.820 -0.204 0.000 1.940 603 A HA -0.194 4.128 4.320 0.003 0.000 0.219 603 A C 1.727 179.206 177.584 -0.175 0.000 1.176 603 A CA 1.269 53.177 52.037 -0.215 0.000 0.631 603 A CB -0.633 18.196 19.000 -0.284 0.000 0.814 603 A HN 0.196 nan 8.150 nan 0.000 0.446 604 F N 0.962 120.836 119.950 -0.127 0.000 2.115 604 F HA -0.211 4.318 4.527 0.003 0.000 0.300 604 F C 2.623 178.345 175.800 -0.130 0.000 1.092 604 F CA 1.851 59.776 58.000 -0.126 0.000 1.245 604 F CB -0.642 38.267 39.000 -0.152 0.000 0.995 604 F HN 0.176 nan 8.300 nan 0.000 0.481 605 S N -1.994 113.710 115.700 0.007 0.000 2.524 605 S HA -0.029 4.443 4.470 0.003 0.000 0.216 605 S C 0.361 174.919 174.600 -0.069 0.000 0.987 605 S CA 0.013 58.146 58.200 -0.111 0.000 0.909 605 S CB -0.282 62.697 63.200 -0.368 0.000 0.781 605 S HN 0.210 nan 8.310 nan 0.000 0.521 606 D N 1.343 121.713 120.400 -0.050 0.000 2.374 606 D HA 0.412 5.054 4.640 0.003 0.000 0.240 606 D C 1.033 177.328 176.300 -0.009 0.000 1.229 606 D CA 0.633 54.611 54.000 -0.038 0.000 0.895 606 D CB -0.167 40.603 40.800 -0.050 0.000 1.046 606 D HN 0.246 nan 8.370 nan 0.000 0.498 607 G N 2.838 111.638 108.800 -0.000 0.000 2.176 607 G HA2 -0.161 3.801 3.960 0.003 0.000 0.232 607 G HA3 -0.161 3.801 3.960 0.003 0.000 0.232 607 G C 0.481 175.401 174.900 0.033 0.000 0.986 607 G CA 0.019 45.129 45.100 0.018 0.000 0.643 607 G HN 0.962 nan 8.290 nan 0.000 0.522 608 A N 1.399 124.237 122.820 0.030 0.000 2.475 608 A HA 0.587 4.909 4.320 0.003 0.000 0.293 608 A C 1.699 179.316 177.584 0.055 0.000 1.252 608 A CA 1.560 53.626 52.037 0.049 0.000 0.920 608 A CB -0.153 18.871 19.000 0.041 0.000 1.125 608 A HN 1.617 nan 8.150 nan 0.000 0.528 609 T N 0.083 114.675 114.554 0.064 0.000 3.139 609 T HA 0.153 4.504 4.350 0.003 0.000 0.267 609 T C 0.521 175.264 174.700 0.072 0.000 1.164 609 T CA 1.090 63.227 62.100 0.063 0.000 1.075 609 T CB -1.338 67.567 68.868 0.063 0.000 0.904 609 T HN 1.402 nan 8.240 nan 0.000 0.540 610 V N -3.598 116.367 119.914 0.084 0.000 3.206 610 V HA 0.729 4.851 4.120 0.003 0.000 0.305 610 V C -0.224 175.936 176.094 0.111 0.000 1.257 610 V CA -1.288 61.070 62.300 0.096 0.000 1.057 610 V CB 1.374 33.259 31.823 0.105 0.000 1.075 610 V HN 0.051 nan 8.190 nan 0.000 0.443 611 S N 0.847 116.629 115.700 0.137 0.000 2.481 611 S HA 0.639 5.111 4.470 0.003 0.000 0.276 611 S C -0.440 174.249 174.600 0.147 0.000 1.247 611 S CA -0.342 57.972 58.200 0.191 0.000 1.053 611 S CB -0.776 62.556 63.200 0.221 0.000 0.925 611 S HN 0.555 nan 8.310 nan 0.000 0.491 612 I N 4.198 124.843 120.570 0.124 0.000 2.433 612 I HA 0.349 4.521 4.170 0.003 0.000 0.292 612 I C -0.095 175.949 176.117 -0.121 0.000 1.001 612 I CA -0.427 60.852 61.300 -0.035 0.000 1.119 612 I CB 2.180 40.136 38.000 -0.072 0.000 1.289 612 I HN 0.476 nan 8.210 nan 0.000 0.438 613 S N 3.212 118.682 115.700 -0.382 0.000 2.532 613 S HA 0.943 5.415 4.470 0.003 0.000 0.301 613 S C 0.089 174.185 174.600 -0.840 0.000 1.083 613 S CA -0.614 57.279 58.200 -0.511 0.000 1.025 613 S CB 2.188 65.098 63.200 -0.483 0.000 1.056 613 S HN 0.969 nan 8.310 nan 0.000 0.494 614 G N 0.991 109.319 108.800 -0.787 0.000 2.450 614 G HA2 0.595 4.557 3.960 0.003 0.000 0.273 614 G HA3 0.595 4.557 3.960 0.003 0.000 0.273 614 G C -2.077 172.178 174.900 -1.075 0.000 1.221 614 G CA -0.633 43.877 45.100 -0.984 0.000 0.900 614 G HN 0.614 nan 8.290 nan 0.000 0.483 615 K N 0.354 120.291 120.400 -0.771 0.000 2.575 615 K HA 0.606 4.928 4.320 0.003 0.000 0.255 615 K C -0.095 176.452 176.600 -0.088 0.000 0.953 615 K CA 0.134 56.101 56.287 -0.533 0.000 0.840 615 K CB 1.211 33.110 32.500 -1.001 0.000 1.303 615 K HN 1.049 nan 8.250 nan 0.000 0.438 616 T N -0.008 114.546 114.554 0.001 0.000 2.862 616 T HA 0.902 5.254 4.350 0.003 0.000 0.276 616 T C 0.438 175.121 174.700 -0.028 0.000 0.974 616 T CA -0.196 61.892 62.100 -0.020 0.000 0.966 616 T CB 1.562 70.360 68.868 -0.117 0.000 1.072 616 T HN 0.652 nan 8.240 nan 0.000 0.538 631 N N 1.623 120.291 118.700 -0.053 0.000 2.455 631 N HA 0.488 5.230 4.740 0.003 0.000 0.280 631 N C 0.635 176.108 175.510 -0.062 0.000 1.055 631 N CA -0.161 52.852 53.050 -0.061 0.000 0.961 631 N CB 1.473 39.924 38.487 -0.059 0.000 1.121 631 N HN 0.872 nan 8.380 nan 0.000 0.476 632 T N -1.401 113.104 114.554 -0.081 0.000 3.242 632 T HA 0.253 4.604 4.350 0.003 0.000 0.253 632 T C 0.103 174.766 174.700 -0.061 0.000 0.946 632 T CA -0.848 61.175 62.100 -0.127 0.000 0.944 632 T CB -0.759 67.950 68.868 -0.265 0.000 1.122 632 T HN 0.155 nan 8.240 nan 0.000 0.546 633 N N 2.311 121.001 118.700 -0.017 0.000 2.416 633 N HA 0.515 5.257 4.740 0.003 0.000 0.246 633 N C -0.363 175.150 175.510 0.006 0.000 1.260 633 N CA 0.045 53.102 53.050 0.011 0.000 0.897 633 N CB 0.820 39.323 38.487 0.026 0.000 1.110 633 N HN 0.734 nan 8.380 nan 0.000 0.439 634 A N 0.132 122.974 122.820 0.036 0.000 2.517 634 A HA 0.563 4.885 4.320 0.003 0.000 0.297 634 A C -0.716 176.923 177.584 0.091 0.000 1.050 634 A CA -0.767 51.322 52.037 0.088 0.000 0.694 634 A CB 0.964 20.024 19.000 0.100 0.000 1.277 634 A HN 0.454 nan 8.150 nan 0.000 0.400 635 V N -0.961 118.983 119.914 0.049 0.000 2.769 635 V HA 1.044 5.165 4.120 0.003 0.000 0.312 635 V C -0.096 175.889 176.094 -0.181 0.000 1.061 635 V CA -0.217 62.068 62.300 -0.025 0.000 0.931 635 V CB 1.195 33.005 31.823 -0.021 0.000 1.010 635 V HN 2.432 nan 8.190 nan 0.000 0.433 636 A N 3.249 125.977 122.820 -0.153 0.000 2.604 636 A HA 0.947 5.269 4.320 0.003 0.000 0.295 636 A C -1.416 176.115 177.584 -0.089 0.000 1.067 636 A CA -0.558 51.288 52.037 -0.319 0.000 0.683 636 A CB 1.830 20.590 19.000 -0.400 0.000 1.281 636 A HN 2.161 nan 8.150 nan 0.000 0.407 637 Y N -1.396 118.842 120.300 -0.103 0.000 2.581 637 Y HA 0.937 5.488 4.550 0.003 0.000 0.345 637 Y C -0.303 175.592 175.900 -0.009 0.000 1.036 637 Y CA -1.084 56.990 58.100 -0.043 0.000 1.042 637 Y CB 1.402 39.846 38.460 -0.027 0.000 1.289 637 Y HN 1.605 nan 8.280 nan 0.000 0.471 638 A N 1.919 124.883 122.820 0.240 0.000 2.612 638 A HA 0.813 5.135 4.320 0.003 0.000 0.293 638 A C -3.298 174.398 177.584 0.186 0.000 1.075 638 A CA -1.898 50.250 52.037 0.185 0.000 0.680 638 A CB 1.556 20.625 19.000 0.115 0.000 1.279 638 A HN 0.522 nan 8.150 nan 0.000 0.411 639 P HA 0.248 nan 4.420 nan 0.000 0.276 639 P C 0.717 178.142 177.300 0.210 0.000 1.244 639 P CA 0.104 63.301 63.100 0.163 0.000 0.801 639 P CB 0.584 32.361 31.700 0.130 0.000 1.006 640 T N 0.938 115.620 114.554 0.214 0.000 2.699 640 T HA -0.194 4.158 4.350 0.003 0.000 0.268 640 T C 1.383 176.224 174.700 0.235 0.000 1.036 640 T CA 2.025 64.296 62.100 0.284 0.000 1.147 640 T CB -0.463 68.549 68.868 0.241 0.000 0.862 640 T HN 0.530 nan 8.240 nan 0.000 0.446 641 E N 0.823 121.107 120.200 0.140 0.000 2.107 641 E HA 0.055 4.406 4.350 0.003 0.000 0.191 641 E C 1.000 177.641 176.600 0.068 0.000 0.982 641 E CA 0.632 57.078 56.400 0.077 0.000 0.809 641 E CB 0.080 29.809 29.700 0.050 0.000 0.756 641 E HN 0.253 nan 8.360 nan 0.000 0.459 642 N N -0.040 118.713 118.700 0.087 0.000 2.725 642 N HA 0.202 4.944 4.740 0.003 0.000 0.248 642 N C -2.975 172.586 175.510 0.084 0.000 1.402 642 N CA -2.051 51.038 53.050 0.066 0.000 0.766 642 N CB 0.823 39.341 38.487 0.052 0.000 1.223 642 N HN -0.225 nan 8.380 nan 0.000 0.515 643 P HA 0.146 nan 4.420 nan 0.000 0.268 643 P C -0.235 177.105 177.300 0.066 0.000 1.204 643 P CA 0.348 63.505 63.100 0.096 0.000 0.768 643 P CB 0.860 32.563 31.700 0.006 0.000 0.842 644 Q N 1.886 121.740 119.800 0.089 0.000 2.113 644 Q HA 0.399 4.741 4.340 0.003 0.000 0.225 644 Q C 0.080 176.086 176.000 0.010 0.000 0.786 644 Q CA -0.055 55.793 55.803 0.074 0.000 0.989 644 Q CB 0.979 29.804 28.738 0.144 0.000 1.174 644 Q HN 0.398 nan 8.270 nan 0.000 0.470 645 I N -0.296 120.275 120.570 0.001 0.000 2.775 645 I HA 0.724 4.896 4.170 0.003 0.000 0.295 645 I C -2.099 174.014 176.117 -0.006 0.000 1.287 645 I CA -0.974 60.260 61.300 -0.110 0.000 1.029 645 I CB 1.843 39.714 38.000 -0.216 0.000 1.282 645 I HN -0.091 nan 8.210 nan 0.000 0.426 646 A N 6.647 129.449 122.820 -0.029 0.000 2.375 646 A HA 0.721 5.043 4.320 0.003 0.000 0.295 646 A C -1.854 175.735 177.584 0.009 0.000 1.066 646 A CA -0.524 51.534 52.037 0.035 0.000 0.722 646 A CB 1.748 20.772 19.000 0.040 0.000 1.206 646 A HN 0.634 nan 8.150 nan 0.000 0.435 647 V N 2.032 121.960 119.914 0.023 0.000 2.628 647 V HA 0.864 4.986 4.120 0.003 0.000 0.306 647 V C -0.079 176.035 176.094 0.033 0.000 1.045 647 V CA 0.009 62.325 62.300 0.027 0.000 0.905 647 V CB 1.723 33.571 31.823 0.041 0.000 0.997 647 V HN 1.650 nan 8.190 nan 0.000 0.436 648 A N 5.886 128.730 122.820 0.040 0.000 2.319 648 A HA 0.808 5.130 4.320 0.003 0.000 0.310 648 A C -1.110 176.496 177.584 0.037 0.000 1.152 648 A CA -0.493 51.573 52.037 0.049 0.000 0.783 648 A CB 1.611 20.654 19.000 0.071 0.000 1.184 648 A HN 0.887 nan 8.150 nan 0.000 0.474 649 V N 3.041 122.974 119.914 0.032 0.000 2.435 649 V HA 0.503 4.625 4.120 0.003 0.000 0.290 649 V C -0.276 175.822 176.094 0.008 0.000 1.030 649 V CA -0.465 61.840 62.300 0.009 0.000 0.881 649 V CB 1.496 33.319 31.823 0.000 0.000 0.983 649 V HN 0.637 nan 8.190 nan 0.000 0.445 650 V N 5.394 125.289 119.914 -0.032 0.000 2.487 650 V HA 0.534 4.656 4.120 0.003 0.000 0.298 650 V C -0.891 175.167 176.094 -0.061 0.000 1.028 650 V CA -0.436 61.809 62.300 -0.091 0.000 0.860 650 V CB 1.752 33.404 31.823 -0.284 0.000 0.991 650 V HN 0.720 nan 8.190 nan 0.000 0.427 651 F N 7.789 127.659 119.950 -0.133 0.000 2.971 651 F HA 0.509 5.038 4.527 0.003 0.000 0.373 651 F C -2.701 173.081 175.800 -0.029 0.000 1.288 651 F CA -2.548 55.419 58.000 -0.056 0.000 1.204 651 F CB 1.638 40.608 39.000 -0.050 0.000 1.852 651 F HN 0.329 nan 8.300 nan 0.000 0.624 652 P HA 0.162 nan 4.420 nan 0.000 0.276 652 P C -0.372 177.059 177.300 0.218 0.000 1.244 652 P CA 0.410 63.582 63.100 0.121 0.000 0.801 652 P CB 0.536 32.328 31.700 0.153 0.000 1.006 653 H N -1.852 117.350 119.070 0.221 0.000 2.713 653 H HA -0.174 4.384 4.556 0.003 0.000 0.311 653 H C 0.173 175.606 175.328 0.176 0.000 1.175 653 H CA 0.577 56.742 56.048 0.194 0.000 1.143 653 H CB -2.167 27.734 29.762 0.233 0.000 1.434 653 H HN 0.482 nan 8.280 nan 0.000 0.418 654 N N 1.347 120.119 118.700 0.121 0.000 2.457 654 N HA 0.061 4.803 4.740 0.003 0.000 0.250 654 N C 1.232 176.704 175.510 -0.064 0.000 0.982 654 N CA 0.510 53.534 53.050 -0.043 0.000 0.941 654 N CB 0.906 39.139 38.487 -0.424 0.000 1.120 654 N HN 0.362 nan 8.380 nan 0.000 0.505 655 T N -0.023 114.525 114.554 -0.010 0.000 3.118 655 T HA 0.062 4.413 4.350 0.003 0.000 0.260 655 T C 0.486 175.158 174.700 -0.047 0.000 1.139 655 T CA 0.031 62.133 62.100 0.004 0.000 1.085 655 T CB -0.247 68.656 68.868 0.057 0.000 0.934 655 T HN 0.273 nan 8.240 nan 0.000 0.518 656 N N 2.637 121.276 118.700 -0.101 0.000 2.396 656 N HA 0.074 4.816 4.740 0.003 0.000 0.287 656 N C 1.080 176.524 175.510 -0.109 0.000 1.316 656 N CA 0.010 52.992 53.050 -0.112 0.000 0.972 656 N CB 0.836 39.230 38.487 -0.155 0.000 1.341 656 N HN 0.530 nan 8.380 nan 0.000 0.487 657 L N 1.387 122.565 121.223 -0.075 0.000 2.341 657 L HA 0.064 4.406 4.340 0.003 0.000 0.214 657 L C 2.275 179.096 176.870 -0.082 0.000 1.115 657 L CA 0.787 55.585 54.840 -0.070 0.000 0.820 657 L CB -1.194 40.845 42.059 -0.033 0.000 0.944 657 L HN 0.375 nan 8.230 nan 0.000 0.452 658 T N 0.678 115.187 114.554 -0.075 0.000 2.588 658 T HA -0.141 4.211 4.350 0.003 0.000 0.261 658 T C 0.830 175.470 174.700 -0.100 0.000 1.069 658 T CA 1.396 63.452 62.100 -0.073 0.000 1.172 658 T CB -0.393 68.438 68.868 -0.061 0.000 0.863 658 T HN 0.580 nan 8.240 nan 0.000 0.408 659 K N 1.171 121.504 120.400 -0.111 0.000 2.292 659 K HA 0.558 4.880 4.320 0.003 0.000 0.257 659 K C -1.085 175.418 176.600 -0.161 0.000 0.940 659 K CA -1.018 55.191 56.287 -0.129 0.000 0.811 659 K CB 1.338 33.776 32.500 -0.103 0.000 1.120 659 K HN 0.071 nan 8.250 nan 0.000 0.428 660 N N 2.934 121.518 118.700 -0.193 0.000 2.422 660 N HA 0.057 4.798 4.740 0.003 0.000 0.266 660 N C 0.503 175.880 175.510 -0.222 0.000 1.007 660 N CA -0.833 52.078 53.050 -0.230 0.000 0.941 660 N CB 1.721 40.052 38.487 -0.260 0.000 1.115 660 N HN 0.633 nan 8.380 nan 0.000 0.492 661 V N 2.029 121.808 119.914 -0.225 0.000 3.406 661 V HA 0.293 4.415 4.120 0.003 0.000 0.263 661 V C 1.875 177.823 176.094 -0.244 0.000 1.172 661 V CA 1.114 63.311 62.300 -0.171 0.000 1.140 661 V CB -0.547 31.247 31.823 -0.048 0.000 0.784 661 V HN 0.519 nan 8.190 nan 0.000 0.467 662 G N 2.001 110.663 108.800 -0.231 0.000 2.514 662 G HA2 -0.168 3.793 3.960 0.003 0.000 0.217 662 G HA3 -0.168 3.793 3.960 0.003 0.000 0.217 662 G C 0.201 174.979 174.900 -0.204 0.000 1.198 662 G CA 1.500 46.498 45.100 -0.170 0.000 0.780 662 G HN 0.618 nan 8.290 nan 0.000 0.565 663 P HA -0.050 nan 4.420 nan 0.000 0.217 663 P C 1.991 179.093 177.300 -0.330 0.000 1.150 663 P CA 1.976 64.683 63.100 -0.654 0.000 0.832 663 P CB -0.188 30.747 31.700 -1.274 0.000 0.787 664 A N -0.397 122.271 122.820 -0.252 0.000 1.930 664 A HA -0.111 4.211 4.320 0.003 0.000 0.217 664 A C 2.321 179.841 177.584 -0.105 0.000 1.175 664 A CA 1.117 53.091 52.037 -0.104 0.000 0.627 664 A CB -1.467 17.535 19.000 0.004 0.000 0.815 664 A HN 0.113 nan 8.150 nan 0.000 0.443 665 I N -0.301 120.077 120.570 -0.321 0.000 2.202 665 I HA -0.243 3.928 4.170 0.003 0.000 0.242 665 I C 3.005 179.065 176.117 -0.096 0.000 1.091 665 I CA 0.959 62.033 61.300 -0.376 0.000 1.368 665 I CB -0.396 37.318 38.000 -0.477 0.000 1.058 665 I HN 0.339 nan 8.210 nan 0.000 0.410 666 A N 0.980 123.787 122.820 -0.020 0.000 1.873 666 A HA -0.308 4.014 4.320 0.003 0.000 0.218 666 A C 2.468 180.127 177.584 0.124 0.000 1.193 666 A CA 2.286 54.380 52.037 0.094 0.000 0.629 666 A CB -0.828 18.319 19.000 0.246 0.000 0.826 666 A HN 0.396 nan 8.150 nan 0.000 0.447 667 R N -0.632 119.960 120.500 0.153 0.000 2.081 667 R HA -0.183 4.159 4.340 0.003 0.000 0.235 667 R C 1.377 177.752 176.300 0.124 0.000 1.131 667 R CA 1.969 58.160 56.100 0.152 0.000 0.960 667 R CB -0.458 29.926 30.300 0.139 0.000 0.856 667 R HN 0.455 nan 8.270 nan 0.000 0.436 668 D N 0.393 120.858 120.400 0.109 0.000 2.178 668 D HA -0.108 4.534 4.640 0.003 0.000 0.202 668 D C 1.911 178.291 176.300 0.135 0.000 0.974 668 D CA 1.024 55.100 54.000 0.127 0.000 0.841 668 D CB -0.059 40.842 40.800 0.169 0.000 0.953 668 D HN 0.350 nan 8.370 nan 0.000 0.478 669 I N 0.407 121.049 120.570 0.121 0.000 2.252 669 I HA -0.187 3.985 4.170 0.003 0.000 0.245 669 I C 2.275 178.566 176.117 0.289 0.000 1.102 669 I CA 0.620 62.018 61.300 0.164 0.000 1.385 669 I CB -0.027 38.044 38.000 0.117 0.000 1.064 669 I HN -0.069 nan 8.210 nan 0.000 0.414 670 I N 0.877 121.577 120.570 0.218 0.000 2.361 670 I HA -0.293 3.879 4.170 0.003 0.000 0.251 670 I C 2.073 178.339 176.117 0.248 0.000 1.133 670 I CA 1.182 62.618 61.300 0.227 0.000 1.413 670 I CB -0.429 37.661 38.000 0.150 0.000 1.073 670 I HN 0.309 nan 8.210 nan 0.000 0.424 671 N N 0.631 119.453 118.700 0.203 0.000 2.216 671 N HA -0.057 4.685 4.740 0.003 0.000 0.183 671 N C 1.929 177.570 175.510 0.219 0.000 1.017 671 N CA 1.069 54.225 53.050 0.178 0.000 0.861 671 N CB -0.280 38.285 38.487 0.131 0.000 0.986 671 N HN 0.284 nan 8.380 nan 0.000 0.428 672 L N -0.422 120.964 121.223 0.271 0.000 2.046 672 L HA -0.205 4.137 4.340 0.003 0.000 0.208 672 L C 2.231 179.413 176.870 0.519 0.000 1.077 672 L CA 1.180 56.219 54.840 0.332 0.000 0.747 672 L CB -0.441 41.775 42.059 0.262 0.000 0.896 672 L HN 0.150 nan 8.230 nan 0.000 0.432 673 Y N 0.912 121.488 120.300 0.461 0.000 2.163 673 Y HA -0.287 4.265 4.550 0.003 0.000 0.288 673 Y C 2.554 178.538 175.900 0.141 0.000 1.136 673 Y CA 1.842 60.032 58.100 0.150 0.000 1.147 673 Y CB -0.361 38.031 38.460 -0.113 0.000 0.987 673 Y HN 0.225 nan 8.280 nan 0.000 0.509 674 N N 0.456 119.252 118.700 0.159 0.000 2.104 674 N HA -0.257 4.485 4.740 0.003 0.000 0.190 674 N C 1.907 177.425 175.510 0.013 0.000 1.024 674 N CA 1.874 54.953 53.050 0.047 0.000 0.853 674 N CB -0.468 38.083 38.487 0.108 0.000 1.008 674 N HN 0.610 nan 8.380 nan 0.000 0.424 675 Q N -1.827 118.025 119.800 0.087 0.000 2.291 675 Q HA -0.166 4.175 4.340 0.003 0.000 0.205 675 Q C 1.207 177.268 176.000 0.101 0.000 0.970 675 Q CA 1.218 57.072 55.803 0.086 0.000 0.876 675 Q CB -0.014 28.792 28.738 0.115 0.000 0.935 675 Q HN 0.578 nan 8.270 nan 0.000 0.455 676 H N -1.855 117.198 119.070 -0.028 0.000 2.681 676 H HA 0.130 4.688 4.556 0.003 0.000 0.268 676 H C -0.523 174.724 175.328 -0.135 0.000 0.967 676 H CA 0.586 56.615 56.048 -0.032 0.000 1.233 676 H CB 0.547 30.357 29.762 0.080 0.000 1.445 676 H HN 0.223 nan 8.280 nan 0.000 0.494 677 H N 0.727 119.488 119.070 -0.517 0.000 2.448 677 H HA 0.341 4.898 4.556 0.003 0.000 0.237 677 H C -2.705 172.343 175.328 -0.467 0.000 1.391 677 H CA -2.508 53.143 56.048 -0.662 0.000 1.477 677 H CB 0.465 29.515 29.762 -1.187 0.000 1.520 677 H HN 0.084 nan 8.280 nan 0.000 0.502 678 P HA -0.082 nan 4.420 nan 0.000 0.256 678 P C 0.387 177.608 177.300 -0.132 0.000 1.173 678 P CA 0.594 63.587 63.100 -0.178 0.000 0.768 678 P CB 0.488 32.089 31.700 -0.164 0.000 0.758 679 M N 1.890 121.478 119.600 -0.021 0.000 2.299 679 M HA 0.015 4.497 4.480 0.003 0.000 0.264 679 M C 0.441 176.759 176.300 0.030 0.000 1.095 679 M CA 1.106 56.438 55.300 0.054 0.000 1.165 679 M CB 0.098 32.768 32.600 0.117 0.000 1.349 679 M HN 0.402 nan 8.290 nan 0.000 0.446 680 N N 0.000 118.714 118.700 0.024 0.000 1.763 680 N HA 0.000 4.742 4.740 0.003 0.000 0.220 680 N CA 0.000 53.064 53.050 0.023 0.000 0.885 680 N CB 0.000 38.496 38.487 0.015 0.000 1.341 680 N HN 0.000 nan 8.380 nan 0.000 0.667