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 2f5z_1_F DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.303 177.300 0.005 0.000 1.155 4 P CA 0.000 63.103 63.100 0.005 0.000 0.800 4 P CB 0.000 31.703 31.700 0.006 0.000 0.726 5 I N -0.396 120.176 120.570 0.004 0.000 2.970 5 I HA 0.731 4.901 4.170 -0.000 0.000 0.310 5 I C -0.244 175.876 176.117 0.005 0.000 1.010 5 I CA -0.451 60.851 61.300 0.003 0.000 1.228 5 I CB 1.402 39.402 38.000 0.000 0.000 1.433 5 I HN 0.204 nan 8.210 nan 0.000 0.573 6 D N 2.241 122.644 120.400 0.005 0.000 2.575 6 D HA 0.752 5.392 4.640 -0.000 0.000 0.236 6 D C -1.238 175.067 176.300 0.008 0.000 1.075 6 D CA -0.565 53.439 54.000 0.008 0.000 0.860 6 D CB 2.373 43.180 40.800 0.011 0.000 1.475 6 D HN 0.953 nan 8.370 nan 0.000 0.474 7 A N 1.303 124.128 122.820 0.009 0.000 2.599 7 A HA 0.450 4.770 4.320 -0.000 0.000 0.290 7 A C -0.359 177.235 177.584 0.017 0.000 1.101 7 A CA -0.612 51.432 52.037 0.011 0.000 0.674 7 A CB 1.611 20.606 19.000 -0.008 0.000 1.277 7 A HN 0.436 nan 8.150 nan 0.000 0.419 8 D N -0.549 119.874 120.400 0.037 0.000 2.162 8 D HA 0.162 4.802 4.640 -0.000 0.000 0.205 8 D C 0.242 176.480 176.300 -0.104 0.000 0.964 8 D CA 1.626 55.655 54.000 0.048 0.000 0.847 8 D CB 0.270 41.226 40.800 0.260 0.000 0.988 8 D HN 0.229 nan 8.370 nan 0.000 0.480 9 V N 0.927 120.756 119.914 -0.142 0.000 2.482 9 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 9 V C -0.389 175.625 176.094 -0.134 0.000 1.026 9 V CA -0.569 61.594 62.300 -0.228 0.000 0.856 9 V CB 2.069 33.647 31.823 -0.408 0.000 1.001 9 V HN -0.140 nan 8.190 nan 0.000 0.424 10 T N 4.662 119.157 114.554 -0.097 0.000 2.772 10 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 10 T C -0.222 174.445 174.700 -0.055 0.000 0.994 10 T CA -0.259 61.804 62.100 -0.061 0.000 0.951 10 T CB 1.353 70.204 68.868 -0.028 0.000 0.933 10 T HN 0.331 nan 8.240 nan 0.000 0.447 11 V N 5.526 125.405 119.914 -0.058 0.000 2.439 11 V HA 0.457 4.577 4.120 -0.000 0.000 0.282 11 V C 0.112 176.204 176.094 -0.002 0.000 1.039 11 V CA -0.744 61.532 62.300 -0.039 0.000 0.913 11 V CB 1.367 33.159 31.823 -0.052 0.000 0.983 11 V HN 0.791 nan 8.190 nan 0.000 0.460 12 I N 4.723 125.300 120.570 0.012 0.000 2.371 12 I HA 0.711 4.881 4.170 -0.000 0.000 0.282 12 I C 0.565 176.700 176.117 0.031 0.000 1.031 12 I CA -0.040 61.273 61.300 0.022 0.000 1.180 12 I CB 1.062 39.072 38.000 0.017 0.000 1.336 12 I HN 0.867 nan 8.210 nan 0.000 0.467 13 G N 3.504 112.331 108.800 0.046 0.000 2.627 13 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.680 13 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.680 13 G C -0.215 174.744 174.900 0.098 0.000 1.341 13 G CA -0.320 44.813 45.100 0.056 0.000 0.835 13 G HN 0.613 nan 8.290 nan 0.000 0.643 14 S N 0.569 116.330 115.700 0.102 0.000 2.624 14 S HA 0.621 5.091 4.470 -0.000 0.000 0.246 14 S C 1.159 175.856 174.600 0.161 0.000 1.072 14 S CA 0.643 58.940 58.200 0.163 0.000 1.045 14 S CB 0.615 63.871 63.200 0.094 0.000 0.851 14 S HN 1.835 nan 8.310 nan 0.000 0.480 15 G N 2.244 111.126 108.800 0.137 0.000 2.588 15 G HA2 0.449 4.409 3.960 -0.000 0.000 0.278 15 G HA3 0.449 4.409 3.960 -0.000 0.000 0.278 15 G C -1.656 173.387 174.900 0.238 0.000 1.307 15 G CA -1.704 43.480 45.100 0.140 0.000 1.016 15 G HN 0.169 nan 8.290 nan 0.000 0.503 16 P HA -0.150 nan 4.420 nan 0.000 0.216 16 P C 1.970 179.199 177.300 -0.118 0.000 1.154 16 P CA 2.051 65.197 63.100 0.077 0.000 0.865 16 P CB 0.023 31.753 31.700 0.049 0.000 0.789 17 G N -0.794 107.976 108.800 -0.051 0.000 2.414 17 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G C 1.796 176.646 174.900 -0.084 0.000 1.188 17 G CA 0.907 45.955 45.100 -0.088 0.000 0.783 17 G HN 0.359 nan 8.290 nan 0.000 0.537 18 G N 0.422 109.222 108.800 -0.000 0.000 2.433 18 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 18 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 18 G C 1.736 176.699 174.900 0.106 0.000 1.186 18 G CA 1.392 46.517 45.100 0.042 0.000 0.779 18 G HN 0.601 nan 8.290 nan 0.000 0.543 19 Y N 0.960 121.334 120.300 0.123 0.000 2.224 19 Y HA -0.001 4.549 4.550 -0.000 0.000 0.289 19 Y C 2.410 178.432 175.900 0.203 0.000 1.146 19 Y CA 1.306 59.566 58.100 0.267 0.000 1.182 19 Y CB -0.707 37.805 38.460 0.085 0.000 0.983 19 Y HN 0.020 nan 8.280 nan 0.000 0.524 20 V N 1.254 120.790 119.914 -0.630 0.000 2.379 20 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 20 V C 2.867 178.850 176.094 -0.186 0.000 1.044 20 V CA 1.651 63.648 62.300 -0.506 0.000 1.036 20 V CB -1.386 30.095 31.823 -0.570 0.000 0.664 20 V HN 0.637 nan 8.190 nan 0.000 0.453 21 A N 0.051 122.780 122.820 -0.153 0.000 1.933 21 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 21 A C 2.406 179.943 177.584 -0.078 0.000 1.175 21 A CA 2.028 53.995 52.037 -0.118 0.000 0.628 21 A CB -0.672 18.249 19.000 -0.132 0.000 0.814 21 A HN 0.549 nan 8.150 nan 0.000 0.444 22 A N -0.013 122.782 122.820 -0.040 0.000 1.873 22 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 22 A C 2.118 179.677 177.584 -0.042 0.000 1.186 22 A CA 1.454 53.444 52.037 -0.078 0.000 0.616 22 A CB -0.587 18.314 19.000 -0.165 0.000 0.823 22 A HN 0.481 nan 8.150 nan 0.000 0.442 23 I N -0.709 119.903 120.570 0.071 0.000 2.226 23 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 23 I C 2.543 178.682 176.117 0.037 0.000 1.100 23 I CA 1.880 63.239 61.300 0.097 0.000 1.374 23 I CB -0.188 37.919 38.000 0.178 0.000 1.057 23 I HN 0.256 nan 8.210 nan 0.000 0.413 24 K N 1.491 121.896 120.400 0.009 0.000 2.057 24 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 24 K C 2.064 178.689 176.600 0.041 0.000 1.049 24 K CA 1.652 57.943 56.287 0.006 0.000 0.931 24 K CB -0.397 32.088 32.500 -0.026 0.000 0.714 24 K HN 0.274 nan 8.250 nan 0.000 0.440 25 A N 0.570 123.417 122.820 0.045 0.000 1.883 25 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 25 A C 2.387 180.080 177.584 0.183 0.000 1.186 25 A CA 2.190 54.324 52.037 0.163 0.000 0.624 25 A CB -1.168 17.842 19.000 0.016 0.000 0.822 25 A HN 0.425 nan 8.150 nan 0.000 0.444 26 A N -0.703 122.159 122.820 0.070 0.000 1.933 26 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 26 A C 2.071 179.670 177.584 0.024 0.000 1.175 26 A CA 1.612 53.674 52.037 0.042 0.000 0.628 26 A CB -0.579 18.420 19.000 -0.002 0.000 0.814 26 A HN 0.674 nan 8.150 nan 0.000 0.444 27 Q N -0.623 119.190 119.800 0.022 0.000 2.364 27 Q HA 0.064 4.404 4.340 -0.000 0.000 0.207 27 Q C 1.498 177.487 176.000 -0.018 0.000 0.970 27 Q CA 0.702 56.507 55.803 0.003 0.000 0.888 27 Q CB -0.185 28.557 28.738 0.007 0.000 0.951 27 Q HN 0.655 nan 8.270 nan 0.000 0.469 28 L N -1.201 120.014 121.223 -0.014 0.000 2.558 28 L HA 0.145 4.485 4.340 -0.000 0.000 0.225 28 L C 1.196 177.934 176.870 -0.220 0.000 1.128 28 L CA 0.555 55.342 54.840 -0.089 0.000 0.868 28 L CB 0.225 42.257 42.059 -0.044 0.000 1.006 28 L HN 0.426 nan 8.230 nan 0.000 0.454 29 G N -0.786 107.921 108.800 -0.156 0.000 2.231 29 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.206 29 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.206 29 G C 0.103 174.899 174.900 -0.174 0.000 0.996 29 G CA -0.670 44.315 45.100 -0.191 0.000 0.645 29 G HN 0.073 nan 8.290 nan 0.000 0.498 30 F N 1.893 121.820 119.950 -0.039 0.000 2.484 30 F HA 0.454 4.981 4.527 -0.000 0.000 0.360 30 F C 1.082 176.854 175.800 -0.046 0.000 1.101 30 F CA -0.082 57.893 58.000 -0.043 0.000 1.251 30 F CB 0.932 39.899 39.000 -0.056 0.000 1.132 30 F HN -0.005 nan 8.300 nan 0.000 0.570 31 K N 2.296 122.804 120.400 0.180 0.000 2.349 31 K HA 0.254 4.574 4.320 -0.000 0.000 0.289 31 K C -0.887 175.743 176.600 0.051 0.000 1.064 31 K CA -0.018 56.313 56.287 0.074 0.000 0.947 31 K CB 0.248 32.781 32.500 0.054 0.000 1.007 31 K HN 0.679 nan 8.250 nan 0.000 0.478 32 T N 3.426 117.981 114.554 0.002 0.000 2.812 32 T HA 0.286 4.636 4.350 -0.000 0.000 0.282 32 T C -0.954 173.683 174.700 -0.104 0.000 0.990 32 T CA -0.801 61.265 62.100 -0.056 0.000 0.960 32 T CB 1.397 70.221 68.868 -0.073 0.000 0.948 32 T HN 0.467 nan 8.240 nan 0.000 0.438 33 V N 1.156 121.010 119.914 -0.099 0.000 2.715 33 V HA 0.851 4.971 4.120 -0.000 0.000 0.310 33 V C -0.608 175.416 176.094 -0.117 0.000 1.054 33 V CA -0.851 61.388 62.300 -0.101 0.000 0.928 33 V CB 1.443 33.239 31.823 -0.045 0.000 1.007 33 V HN 1.086 nan 8.190 nan 0.000 0.437 34 C N 6.897 126.124 119.300 -0.121 0.000 2.364 34 C HA 0.693 5.153 4.460 -0.000 0.000 0.324 34 C C -0.330 174.720 174.990 0.101 0.000 1.234 34 C CA -0.629 58.358 59.018 -0.053 0.000 1.417 34 C CB -0.527 27.116 27.740 -0.162 0.000 2.101 34 C HN 0.911 nan 8.230 nan 0.000 0.466 35 I N 5.080 125.705 120.570 0.092 0.000 2.315 35 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 35 I C -0.243 175.950 176.117 0.127 0.000 1.006 35 I CA 0.259 61.629 61.300 0.117 0.000 1.265 35 I CB 1.225 39.261 38.000 0.061 0.000 1.387 35 I HN 0.627 nan 8.210 nan 0.000 0.475 36 E N 6.134 126.446 120.200 0.186 0.000 2.224 36 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 36 E C 0.137 176.802 176.600 0.108 0.000 0.878 36 E CA -0.818 55.662 56.400 0.134 0.000 0.759 36 E CB 1.417 31.206 29.700 0.148 0.000 1.164 36 E HN 0.560 nan 8.360 nan 0.000 0.414 37 K N 2.513 122.928 120.400 0.026 0.000 2.418 37 K HA 0.186 4.506 4.320 -0.000 0.000 0.195 37 K C 0.134 176.763 176.600 0.049 0.000 1.035 37 K CA 0.075 56.380 56.287 0.029 0.000 1.003 37 K CB 0.130 32.593 32.500 -0.062 0.000 0.793 37 K HN 0.177 nan 8.250 nan 0.000 0.494 38 N N 1.740 120.460 118.700 0.033 0.000 2.458 38 N HA 0.059 4.799 4.740 -0.000 0.000 0.271 38 N C 0.419 175.958 175.510 0.048 0.000 1.210 38 N CA -0.410 52.655 53.050 0.025 0.000 0.978 38 N CB 1.017 39.499 38.487 -0.008 0.000 1.206 38 N HN 0.125 nan 8.380 nan 0.000 0.536 39 E N -0.539 119.680 120.200 0.033 0.000 2.150 39 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 39 E C 0.200 176.821 176.600 0.036 0.000 0.985 39 E CA 0.951 57.374 56.400 0.040 0.000 0.814 39 E CB 0.096 29.809 29.700 0.021 0.000 0.752 39 E HN 0.695 nan 8.360 nan 0.000 0.466 40 T N -1.917 112.637 114.554 -0.000 0.000 2.924 40 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 40 T C 0.084 174.733 174.700 -0.086 0.000 1.045 40 T CA -0.942 61.132 62.100 -0.043 0.000 1.015 40 T CB 1.601 70.432 68.868 -0.062 0.000 1.103 40 T HN -0.125 nan 8.240 nan 0.000 0.496 41 L N 0.590 121.708 121.223 -0.175 0.000 2.488 41 L HA 0.617 4.957 4.340 -0.000 0.000 0.249 41 L C 1.852 178.585 176.870 -0.229 0.000 1.151 41 L CA -0.018 54.675 54.840 -0.244 0.000 0.806 41 L CB 0.076 41.864 42.059 -0.452 0.000 1.261 41 L HN 1.161 nan 8.230 nan 0.000 0.484 42 G N -0.997 107.660 108.800 -0.238 0.000 2.234 42 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.235 42 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.235 42 G C 0.686 175.556 174.900 -0.050 0.000 0.997 42 G CA 0.047 45.032 45.100 -0.191 0.000 0.623 42 G HN 1.436 nan 8.290 nan 0.000 0.514 43 G N -0.779 107.999 108.800 -0.037 0.000 2.578 43 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.275 43 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.275 43 G C 1.087 175.973 174.900 -0.024 0.000 1.271 43 G CA 1.488 46.579 45.100 -0.015 0.000 0.941 43 G HN 1.346 nan 8.290 nan 0.000 0.564 44 T N -0.417 114.128 114.554 -0.015 0.000 2.652 44 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 44 T C 2.469 177.162 174.700 -0.011 0.000 1.039 44 T CA 2.664 64.754 62.100 -0.017 0.000 1.153 44 T CB -0.800 68.063 68.868 -0.009 0.000 0.863 44 T HN 1.024 nan 8.240 nan 0.000 0.428 45 c N 1.192 119.793 118.600 0.002 0.000 2.393 45 c HA -0.086 4.484 4.570 -0.000 0.000 0.276 45 c C 2.586 176.667 174.090 -0.016 0.000 1.215 45 c CA 1.060 57.390 56.329 0.002 0.000 1.743 45 c CB -1.354 41.170 42.510 0.025 0.000 2.044 45 c HN 0.515 nan 8.230 nan 0.000 0.464 46 L N 1.558 122.766 121.223 -0.025 0.000 2.131 46 L HA 0.061 4.401 4.340 -0.000 0.000 0.206 46 L C 2.137 178.975 176.870 -0.052 0.000 1.087 46 L CA 1.977 56.786 54.840 -0.051 0.000 0.767 46 L CB -1.114 40.891 42.059 -0.090 0.000 0.917 46 L HN 0.432 nan 8.230 nan 0.000 0.441 47 N N -0.597 118.075 118.700 -0.047 0.000 2.336 47 N HA 0.019 4.759 4.740 -0.000 0.000 0.177 47 N C 0.986 176.479 175.510 -0.029 0.000 1.018 47 N CA 1.566 54.591 53.050 -0.042 0.000 0.878 47 N CB 0.636 39.095 38.487 -0.046 0.000 0.997 47 N HN 0.402 nan 8.380 nan 0.000 0.433 48 V N -3.681 116.219 119.914 -0.023 0.000 3.157 48 V HA 0.641 4.761 4.120 -0.000 0.000 0.361 48 V C 0.409 176.502 176.094 -0.003 0.000 1.421 48 V CA -0.188 62.106 62.300 -0.011 0.000 1.213 48 V CB 0.548 32.364 31.823 -0.012 0.000 1.164 48 V HN 0.127 nan 8.190 nan 0.000 0.559 49 G N -0.157 108.638 108.800 -0.009 0.000 3.324 49 G HA2 0.203 4.163 3.960 -0.000 0.000 0.188 49 G HA3 0.203 4.163 3.960 -0.000 0.000 0.188 49 G C 0.970 175.859 174.900 -0.018 0.000 1.384 49 G CA 0.716 45.814 45.100 -0.002 0.000 0.841 49 G HN 0.270 nan 8.290 nan 0.000 0.758 50 c N 1.249 119.833 118.600 -0.026 0.000 2.336 50 c HA -0.118 4.452 4.570 -0.000 0.000 0.275 50 c C 2.799 176.827 174.090 -0.104 0.000 1.175 50 c CA 0.860 57.149 56.329 -0.068 0.000 1.771 50 c CB -1.353 41.124 42.510 -0.055 0.000 2.030 50 c HN 0.426 nan 8.230 nan 0.000 0.442 51 I N 2.415 122.939 120.570 -0.077 0.000 2.099 51 I HA -0.121 4.049 4.170 -0.000 0.000 0.239 51 I C 0.124 176.197 176.117 -0.073 0.000 1.066 51 I CA 1.826 63.078 61.300 -0.080 0.000 1.324 51 I CB -2.972 34.991 38.000 -0.061 0.000 1.037 51 I HN 0.281 nan 8.210 nan 0.000 0.401 52 P HA -0.092 nan 4.420 nan 0.000 0.217 52 P C 1.890 179.161 177.300 -0.049 0.000 1.150 52 P CA 1.943 65.018 63.100 -0.042 0.000 0.832 52 P CB -0.093 31.594 31.700 -0.021 0.000 0.787 53 S N 0.427 116.098 115.700 -0.049 0.000 2.355 53 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 53 S C 2.048 176.596 174.600 -0.086 0.000 1.031 53 S CA 1.102 59.273 58.200 -0.048 0.000 0.993 53 S CB -0.992 62.197 63.200 -0.018 0.000 0.859 53 S HN -0.025 nan 8.310 nan 0.000 0.453 54 K N 2.142 122.457 120.400 -0.143 0.000 2.147 54 K HA 0.218 4.538 4.320 -0.000 0.000 0.205 54 K C 2.315 178.848 176.600 -0.111 0.000 1.049 54 K CA 1.168 57.343 56.287 -0.187 0.000 0.936 54 K CB -0.924 31.378 32.500 -0.329 0.000 0.722 54 K HN 0.512 nan 8.250 nan 0.000 0.446 55 A N 0.591 123.358 122.820 -0.088 0.000 1.877 55 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 55 A C 2.089 179.634 177.584 -0.064 0.000 1.186 55 A CA 1.363 53.366 52.037 -0.057 0.000 0.620 55 A CB -0.670 18.302 19.000 -0.047 0.000 0.822 55 A HN 0.204 nan 8.150 nan 0.000 0.443 56 L N -0.835 120.333 121.223 -0.093 0.000 2.093 56 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 56 L C 2.569 179.354 176.870 -0.141 0.000 1.085 56 L CA 0.893 55.645 54.840 -0.147 0.000 0.755 56 L CB -0.552 41.381 42.059 -0.210 0.000 0.904 56 L HN 0.366 nan 8.230 nan 0.000 0.435 57 L N -0.282 120.881 121.223 -0.100 0.000 2.046 57 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 57 L C 2.460 179.299 176.870 -0.053 0.000 1.077 57 L CA 1.430 56.233 54.840 -0.061 0.000 0.747 57 L CB -0.609 41.443 42.059 -0.011 0.000 0.896 57 L HN 0.413 nan 8.230 nan 0.000 0.432 58 N N -0.057 118.602 118.700 -0.068 0.000 2.058 58 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 58 N C 1.583 177.020 175.510 -0.120 0.000 1.037 58 N CA 1.414 54.394 53.050 -0.117 0.000 0.848 58 N CB 0.075 38.541 38.487 -0.036 0.000 1.021 58 N HN 0.324 nan 8.380 nan 0.000 0.422 59 N N 0.690 119.389 118.700 -0.002 0.000 2.142 59 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 59 N C 1.950 177.489 175.510 0.048 0.000 1.023 59 N CA 1.560 54.656 53.050 0.076 0.000 0.852 59 N CB -0.639 37.862 38.487 0.022 0.000 0.998 59 N HN 0.371 nan 8.380 nan 0.000 0.424 60 S N 0.008 115.685 115.700 -0.038 0.000 2.402 60 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 60 S C 1.829 176.475 174.600 0.077 0.000 1.021 60 S CA 0.786 58.972 58.200 -0.025 0.000 0.974 60 S CB -0.671 62.433 63.200 -0.161 0.000 0.800 60 S HN 0.479 nan 8.310 nan 0.000 0.484 61 H N 0.012 119.030 119.070 -0.088 0.000 2.326 61 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 61 H C 1.743 177.014 175.328 -0.095 0.000 1.081 61 H CA 1.793 57.764 56.048 -0.128 0.000 1.334 61 H CB -0.245 29.345 29.762 -0.287 0.000 1.385 61 H HN 0.461 nan 8.280 nan 0.000 0.504 62 Y N -0.088 120.094 120.300 -0.197 0.000 2.181 62 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 62 Y C 2.685 178.409 175.900 -0.292 0.000 1.146 62 Y CA 1.288 59.207 58.100 -0.301 0.000 1.164 62 Y CB -1.293 37.093 38.460 -0.124 0.000 0.982 62 Y HN 0.316 nan 8.280 nan 0.000 0.515 63 Y N 0.052 120.317 120.300 -0.058 0.000 2.114 63 Y HA -0.338 4.212 4.550 -0.000 0.000 0.282 63 Y C 2.887 178.726 175.900 -0.102 0.000 1.165 63 Y CA 2.325 60.373 58.100 -0.088 0.000 1.148 63 Y CB -0.820 37.598 38.460 -0.069 0.000 0.972 63 Y HN 0.302 nan 8.280 nan 0.000 0.504 64 H N -0.390 118.585 119.070 -0.157 0.000 2.423 64 H HA -0.148 4.408 4.556 -0.000 0.000 0.297 64 H C 1.986 177.142 175.328 -0.286 0.000 1.075 64 H CA 1.725 57.657 56.048 -0.192 0.000 1.342 64 H CB -0.020 29.713 29.762 -0.047 0.000 1.395 64 H HN 0.435 nan 8.280 nan 0.000 0.530 65 M N -0.114 119.177 119.600 -0.515 0.000 2.132 65 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 65 M C 2.820 178.631 176.300 -0.814 0.000 1.065 65 M CA 1.419 56.346 55.300 -0.622 0.000 1.122 65 M CB -0.083 32.152 32.600 -0.609 0.000 1.365 65 M HN 0.317 nan 8.290 nan 0.000 0.411 66 A N -0.826 121.414 122.820 -0.967 0.000 1.872 66 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 66 A C 2.050 179.364 177.584 -0.450 0.000 1.187 66 A CA 1.494 53.048 52.037 -0.805 0.000 0.614 66 A CB -1.086 17.547 19.000 -0.611 0.000 0.826 66 A HN 0.528 nan 8.150 nan 0.000 0.442 67 H N -0.003 118.690 119.070 -0.627 0.000 2.428 67 H HA 0.016 4.572 4.556 -0.000 0.000 0.296 67 H C 1.440 176.551 175.328 -0.362 0.000 1.062 67 H CA 1.300 57.029 56.048 -0.532 0.000 1.350 67 H CB -0.210 29.038 29.762 -0.856 0.000 1.403 67 H HN 0.439 nan 8.280 nan 0.000 0.533 68 G N -0.748 107.846 108.800 -0.344 0.000 2.582 68 G HA2 0.036 3.996 3.960 -0.000 0.000 0.232 68 G HA3 0.036 3.996 3.960 -0.000 0.000 0.232 68 G C 1.068 175.835 174.900 -0.222 0.000 1.458 68 G CA 0.476 45.400 45.100 -0.295 0.000 1.062 68 G HN 0.386 nan 8.290 nan 0.000 0.566 69 T N -2.796 111.667 114.554 -0.151 0.000 3.100 69 T HA 0.041 4.391 4.350 -0.000 0.000 0.253 69 T C 1.432 176.113 174.700 -0.031 0.000 1.118 69 T CA 1.246 63.302 62.100 -0.073 0.000 1.058 69 T CB 0.119 68.970 68.868 -0.029 0.000 0.953 69 T HN 0.428 nan 8.240 nan 0.000 0.515 70 D N 0.604 120.973 120.400 -0.052 0.000 2.078 70 D HA -0.113 4.527 4.640 -0.000 0.000 0.193 70 D C 1.467 177.884 176.300 0.196 0.000 0.990 70 D CA 1.050 55.084 54.000 0.056 0.000 0.827 70 D CB -0.255 40.570 40.800 0.042 0.000 0.975 70 D HN 0.273 nan 8.370 nan 0.000 0.451 71 F N 0.797 120.683 119.950 -0.107 0.000 2.216 71 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 71 F C 2.414 178.172 175.800 -0.070 0.000 1.085 71 F CA 0.829 58.778 58.000 -0.084 0.000 1.326 71 F CB -1.079 37.861 39.000 -0.099 0.000 1.027 71 F HN 0.046 nan 8.300 nan 0.000 0.497 72 A N -0.239 122.642 122.820 0.101 0.000 1.933 72 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 72 A C 2.318 179.908 177.584 0.011 0.000 1.175 72 A CA 1.878 53.931 52.037 0.028 0.000 0.628 72 A CB -1.135 17.864 19.000 -0.003 0.000 0.814 72 A HN 0.382 nan 8.150 nan 0.000 0.444 73 S N -0.628 115.084 115.700 0.020 0.000 2.547 73 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 73 S C 1.431 176.028 174.600 -0.004 0.000 0.980 73 S CA 0.937 59.145 58.200 0.012 0.000 0.941 73 S CB -0.273 62.942 63.200 0.025 0.000 0.763 73 S HN 0.620 nan 8.310 nan 0.000 0.532 74 R N 0.260 120.745 120.500 -0.025 0.000 2.472 74 R HA 0.353 4.693 4.340 -0.000 0.000 0.279 74 R C 1.233 177.480 176.300 -0.087 0.000 0.953 74 R CA 0.295 56.353 56.100 -0.069 0.000 1.088 74 R CB 0.302 30.520 30.300 -0.137 0.000 1.197 74 R HN 0.473 nan 8.270 nan 0.000 0.536 75 G N 1.731 110.496 108.800 -0.059 0.000 2.143 75 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 75 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 75 G C 0.080 174.936 174.900 -0.075 0.000 0.991 75 G CA -0.156 44.910 45.100 -0.056 0.000 0.689 75 G HN 0.279 nan 8.290 nan 0.000 0.522 76 I N 0.949 121.462 120.570 -0.095 0.000 2.307 76 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 76 I C 0.098 176.213 176.117 -0.003 0.000 1.054 76 I CA -0.457 60.783 61.300 -0.100 0.000 1.218 76 I CB 1.145 38.980 38.000 -0.275 0.000 1.398 76 I HN 0.049 nan 8.210 nan 0.000 0.475 77 E N 5.835 126.031 120.200 -0.007 0.000 2.175 77 E HA 0.582 4.932 4.350 -0.000 0.000 0.278 77 E C -0.971 175.633 176.600 0.007 0.000 0.969 77 E CA -0.538 55.863 56.400 0.002 0.000 0.796 77 E CB 1.679 31.373 29.700 -0.011 0.000 1.104 77 E HN 0.355 nan 8.360 nan 0.000 0.395 78 M N 1.704 121.306 119.600 0.003 0.000 2.393 78 M HA 0.220 4.700 4.480 -0.000 0.000 0.316 78 M C 0.869 177.157 176.300 -0.020 0.000 1.087 78 M CA -0.299 54.999 55.300 -0.003 0.000 0.937 78 M CB 2.048 34.647 32.600 -0.002 0.000 1.668 78 M HN 0.563 nan 8.290 nan 0.000 0.438 79 S N 0.907 116.599 115.700 -0.014 0.000 2.354 79 S HA 0.005 4.475 4.470 -0.000 0.000 0.219 79 S C 0.401 174.987 174.600 -0.023 0.000 1.035 79 S CA 1.007 59.198 58.200 -0.016 0.000 1.037 79 S CB -0.125 63.071 63.200 -0.007 0.000 0.956 79 S HN 0.714 nan 8.310 nan 0.000 0.428 80 E N 0.077 120.268 120.200 -0.016 0.000 2.308 80 E HA 0.597 4.947 4.350 -0.000 0.000 0.275 80 E C -1.827 174.773 176.600 0.000 0.000 0.890 80 E CA -0.563 55.829 56.400 -0.013 0.000 0.754 80 E CB 2.589 32.293 29.700 0.007 0.000 1.207 80 E HN 0.160 nan 8.360 nan 0.000 0.426 81 V N 3.197 123.111 119.914 -0.000 0.000 2.384 81 V HA 0.477 4.597 4.120 -0.000 0.000 0.287 81 V C 0.008 176.205 176.094 0.171 0.000 1.020 81 V CA -0.647 61.677 62.300 0.040 0.000 0.850 81 V CB 1.569 33.356 31.823 -0.061 0.000 0.987 81 V HN 0.415 nan 8.190 nan 0.000 0.436 82 R N 3.180 123.788 120.500 0.179 0.000 2.711 82 R HA 0.712 5.052 4.340 -0.000 0.000 0.284 82 R C -1.150 175.304 176.300 0.256 0.000 0.968 82 R CA -0.694 55.531 56.100 0.207 0.000 0.924 82 R CB 1.704 32.071 30.300 0.111 0.000 1.162 82 R HN 0.613 nan 8.270 nan 0.000 0.465 83 L N 2.850 124.180 121.223 0.178 0.000 2.275 83 L HA 0.511 4.851 4.340 -0.000 0.000 0.288 83 L C -0.958 175.894 176.870 -0.031 0.000 1.046 83 L CA -0.077 54.748 54.840 -0.024 0.000 0.805 83 L CB 1.210 43.048 42.059 -0.368 0.000 1.193 83 L HN 0.571 nan 8.230 nan 0.000 0.426 84 N N 4.639 123.321 118.700 -0.029 0.000 2.707 84 N HA 0.072 4.812 4.740 -0.000 0.000 0.235 84 N C 0.632 176.118 175.510 -0.040 0.000 1.028 84 N CA -0.358 52.681 53.050 -0.018 0.000 0.906 84 N CB 0.646 39.134 38.487 0.002 0.000 1.131 84 N HN 0.800 nan 8.380 nan 0.000 0.509 85 L N 2.857 124.053 121.223 -0.045 0.000 2.127 85 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 85 L C 1.364 178.227 176.870 -0.010 0.000 1.089 85 L CA 1.823 56.643 54.840 -0.034 0.000 0.757 85 L CB -0.115 41.951 42.059 0.013 0.000 0.899 85 L HN 0.454 nan 8.230 nan 0.000 0.434 86 D N -0.603 119.795 120.400 -0.004 0.000 2.117 86 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 86 D C 2.103 178.400 176.300 -0.005 0.000 0.987 86 D CA 1.230 55.231 54.000 0.001 0.000 0.829 86 D CB 0.060 40.861 40.800 0.001 0.000 0.961 86 D HN 0.216 nan 8.370 nan 0.000 0.460 87 K N 0.821 121.216 120.400 -0.008 0.000 2.097 87 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 87 K C 2.083 178.675 176.600 -0.012 0.000 1.050 87 K CA 0.674 56.957 56.287 -0.007 0.000 0.938 87 K CB -0.339 32.160 32.500 -0.003 0.000 0.718 87 K HN 0.049 nan 8.250 nan 0.000 0.442 88 M N -0.521 119.064 119.600 -0.025 0.000 2.159 88 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 88 M C 1.542 177.821 176.300 -0.034 0.000 1.063 88 M CA 1.466 56.744 55.300 -0.037 0.000 1.110 88 M CB 0.016 32.566 32.600 -0.082 0.000 1.374 88 M HN 0.158 nan 8.290 nan 0.000 0.411 89 M N 0.138 119.724 119.600 -0.023 0.000 2.229 89 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 89 M C 1.992 178.287 176.300 -0.008 0.000 1.063 89 M CA 1.790 57.084 55.300 -0.010 0.000 1.114 89 M CB -1.156 31.452 32.600 0.014 0.000 1.387 89 M HN 0.493 nan 8.290 nan 0.000 0.420 90 E N -0.208 119.987 120.200 -0.008 0.000 2.208 90 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 90 E C 2.016 178.610 176.600 -0.010 0.000 0.988 90 E CA 0.840 57.236 56.400 -0.008 0.000 0.828 90 E CB -0.324 29.372 29.700 -0.006 0.000 0.763 90 E HN 0.378 nan 8.360 nan 0.000 0.478 91 Q N 1.806 121.600 119.800 -0.009 0.000 2.124 91 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 91 Q C 2.066 178.059 176.000 -0.012 0.000 0.977 91 Q CA 1.817 57.616 55.803 -0.007 0.000 0.850 91 Q CB -0.128 28.610 28.738 0.001 0.000 0.901 91 Q HN 0.388 nan 8.270 nan 0.000 0.429 92 K N -0.231 120.158 120.400 -0.017 0.000 2.002 92 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 92 K C 2.131 178.717 176.600 -0.022 0.000 1.048 92 K CA 1.666 57.939 56.287 -0.023 0.000 0.930 92 K CB -0.060 32.425 32.500 -0.026 0.000 0.714 92 K HN 0.088 nan 8.250 nan 0.000 0.438 93 S N 0.399 116.089 115.700 -0.018 0.000 2.400 93 S HA -0.110 4.360 4.470 -0.000 0.000 0.232 93 S C 1.872 176.458 174.600 -0.023 0.000 1.025 93 S CA 1.796 59.985 58.200 -0.019 0.000 0.993 93 S CB -0.352 62.840 63.200 -0.013 0.000 0.808 93 S HN 0.461 nan 8.310 nan 0.000 0.478 94 T N 2.171 116.713 114.554 -0.020 0.000 2.777 94 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 94 T C 2.171 176.854 174.700 -0.028 0.000 1.040 94 T CA 1.144 63.230 62.100 -0.022 0.000 1.141 94 T CB -0.420 68.437 68.868 -0.018 0.000 0.868 94 T HN 0.470 nan 8.240 nan 0.000 0.444 95 A N 0.901 123.705 122.820 -0.027 0.000 1.898 95 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 95 A C 2.565 180.124 177.584 -0.043 0.000 1.181 95 A CA 1.193 53.211 52.037 -0.032 0.000 0.620 95 A CB -0.984 17.999 19.000 -0.028 0.000 0.819 95 A HN 0.339 nan 8.150 nan 0.000 0.442 96 V N 0.376 120.264 119.914 -0.043 0.000 2.343 96 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 96 V C 2.573 178.631 176.094 -0.060 0.000 1.051 96 V CA 2.408 64.676 62.300 -0.052 0.000 1.036 96 V CB -0.607 31.189 31.823 -0.045 0.000 0.654 96 V HN 0.725 nan 8.190 nan 0.000 0.451 97 K N 0.265 120.635 120.400 -0.050 0.000 2.057 97 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 97 K C 2.158 178.722 176.600 -0.060 0.000 1.049 97 K CA 1.526 57.782 56.287 -0.051 0.000 0.931 97 K CB -0.304 32.173 32.500 -0.038 0.000 0.714 97 K HN 0.411 nan 8.250 nan 0.000 0.440 98 A N 1.369 124.156 122.820 -0.056 0.000 1.902 98 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 98 A C 2.120 179.658 177.584 -0.077 0.000 1.181 98 A CA 1.289 53.290 52.037 -0.060 0.000 0.623 98 A CB -0.590 18.380 19.000 -0.049 0.000 0.818 98 A HN 0.324 nan 8.150 nan 0.000 0.443 99 L N -0.031 121.143 121.223 -0.083 0.000 2.093 99 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 99 L C 3.014 179.786 176.870 -0.163 0.000 1.085 99 L CA 1.756 56.529 54.840 -0.111 0.000 0.755 99 L CB -0.890 41.108 42.059 -0.101 0.000 0.904 99 L HN 0.662 nan 8.230 nan 0.000 0.435 100 T N -3.207 111.256 114.554 -0.152 0.000 2.788 100 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 100 T C 1.935 176.526 174.700 -0.182 0.000 1.044 100 T CA 1.053 63.040 62.100 -0.189 0.000 1.139 100 T CB -0.876 67.910 68.868 -0.138 0.000 0.867 100 T HN 0.381 nan 8.240 nan 0.000 0.454 101 G N 1.105 109.831 108.800 -0.123 0.000 2.408 101 G HA2 0.133 4.093 3.960 -0.000 0.000 0.217 101 G HA3 0.133 4.093 3.960 -0.000 0.000 0.217 101 G C 1.715 176.560 174.900 -0.091 0.000 1.150 101 G CA 0.560 45.605 45.100 -0.092 0.000 0.776 101 G HN 0.652 nan 8.290 nan 0.000 0.542 102 G N 1.127 109.863 108.800 -0.107 0.000 2.442 102 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 102 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 102 G C 1.744 176.569 174.900 -0.126 0.000 1.141 102 G CA 0.825 45.880 45.100 -0.075 0.000 0.763 102 G HN 0.453 nan 8.290 nan 0.000 0.554 103 I N 1.246 121.632 120.570 -0.307 0.000 2.252 103 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 103 I C 3.294 179.084 176.117 -0.546 0.000 1.102 103 I CA 0.826 61.796 61.300 -0.550 0.000 1.385 103 I CB -0.252 37.230 38.000 -0.864 0.000 1.064 103 I HN 0.237 nan 8.210 nan 0.000 0.414 104 A N 0.454 123.055 122.820 -0.365 0.000 1.883 104 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 104 A C 2.216 179.780 177.584 -0.033 0.000 1.186 104 A CA 2.360 54.277 52.037 -0.199 0.000 0.624 104 A CB -1.075 17.879 19.000 -0.076 0.000 0.822 104 A HN 0.547 nan 8.150 nan 0.000 0.444 105 H N -0.143 118.873 119.070 -0.090 0.000 2.353 105 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 105 H C 1.686 177.022 175.328 0.013 0.000 1.090 105 H CA 1.953 57.987 56.048 -0.024 0.000 1.327 105 H CB -0.291 29.451 29.762 -0.034 0.000 1.383 105 H HN 0.376 nan 8.280 nan 0.000 0.508 106 L N -0.970 120.196 121.223 -0.096 0.000 2.141 106 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 106 L C 2.036 178.971 176.870 0.109 0.000 1.094 106 L CA 0.487 55.293 54.840 -0.058 0.000 0.763 106 L CB -0.411 41.666 42.059 0.030 0.000 0.908 106 L HN 0.255 nan 8.230 nan 0.000 0.437 107 F N 0.812 120.730 119.950 -0.054 0.000 2.075 107 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 107 F C 2.564 178.342 175.800 -0.037 0.000 1.113 107 F CA 1.172 59.158 58.000 -0.023 0.000 1.218 107 F CB -0.735 38.258 39.000 -0.011 0.000 0.984 107 F HN -0.021 nan 8.300 nan 0.000 0.472 108 K N -0.013 120.479 120.400 0.152 0.000 2.063 108 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 108 K C 2.095 178.685 176.600 -0.018 0.000 1.048 108 K CA 1.581 57.902 56.287 0.056 0.000 0.928 108 K CB -0.410 32.117 32.500 0.044 0.000 0.713 108 K HN 0.331 nan 8.250 nan 0.000 0.442 109 Q N 0.798 120.526 119.800 -0.120 0.000 2.135 109 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 109 Q C 1.086 177.061 176.000 -0.041 0.000 0.981 109 Q CA 1.404 57.125 55.803 -0.136 0.000 0.856 109 Q CB 0.106 28.681 28.738 -0.271 0.000 0.902 109 Q HN 0.266 nan 8.270 nan 0.000 0.425 110 N N 0.034 118.736 118.700 0.003 0.000 2.270 110 N HA 0.032 4.772 4.740 -0.000 0.000 0.198 110 N C -0.557 174.957 175.510 0.006 0.000 1.117 110 N CA 0.222 53.283 53.050 0.018 0.000 0.845 110 N CB 0.600 39.118 38.487 0.052 0.000 0.980 110 N HN 0.146 nan 8.380 nan 0.000 0.486 111 K N -0.240 120.164 120.400 0.006 0.000 3.129 111 K HA -0.117 4.203 4.320 -0.000 0.000 0.273 111 K C -0.749 175.831 176.600 -0.034 0.000 1.123 111 K CA 0.204 56.488 56.287 -0.004 0.000 0.800 111 K CB -1.703 30.794 32.500 -0.005 0.000 1.238 111 K HN -0.038 nan 8.250 nan 0.000 0.492 112 V N 1.280 121.151 119.914 -0.071 0.000 2.488 112 V HA 0.128 4.248 4.120 -0.000 0.000 0.277 112 V C 0.690 176.684 176.094 -0.167 0.000 1.046 112 V CA -0.616 61.546 62.300 -0.229 0.000 0.986 112 V CB 1.510 32.961 31.823 -0.621 0.000 0.989 112 V HN 0.048 nan 8.190 nan 0.000 0.475 113 V N 5.709 125.546 119.914 -0.128 0.000 2.408 113 V HA 0.173 4.293 4.120 -0.000 0.000 0.267 113 V C 0.379 176.472 176.094 -0.002 0.000 1.047 113 V CA -0.409 61.869 62.300 -0.036 0.000 0.937 113 V CB 0.558 32.367 31.823 -0.023 0.000 0.999 113 V HN 0.892 nan 8.190 nan 0.000 0.472 114 H N 4.942 124.003 119.070 -0.016 0.000 2.723 114 H HA 0.501 5.057 4.556 -0.000 0.000 0.294 114 H C -1.171 174.186 175.328 0.048 0.000 1.079 114 H CA -0.634 55.450 56.048 0.060 0.000 1.411 114 H CB 1.355 31.247 29.762 0.217 0.000 1.439 114 H HN 0.449 nan 8.280 nan 0.000 0.474 115 V N 5.923 125.870 119.914 0.055 0.000 2.384 115 V HA 0.032 4.152 4.120 -0.000 0.000 0.287 115 V C 0.079 176.133 176.094 -0.067 0.000 1.020 115 V CA -0.808 61.448 62.300 -0.074 0.000 0.850 115 V CB 1.234 33.059 31.823 0.002 0.000 0.987 115 V HN 0.794 nan 8.190 nan 0.000 0.436 116 N N 3.796 122.380 118.700 -0.193 0.000 2.444 116 N HA 0.679 5.419 4.740 -0.000 0.000 0.271 116 N C -0.096 175.428 175.510 0.022 0.000 1.069 116 N CA 0.790 53.809 53.050 -0.053 0.000 0.965 116 N CB 1.204 39.633 38.487 -0.097 0.000 1.092 116 N HN 1.028 nan 8.380 nan 0.000 0.476 117 G N 1.513 110.357 108.800 0.072 0.000 2.361 117 G HA2 0.016 3.976 3.960 -0.000 0.000 0.305 117 G HA3 0.016 3.976 3.960 -0.000 0.000 0.305 117 G C -2.173 172.804 174.900 0.128 0.000 1.367 117 G CA -1.032 44.127 45.100 0.099 0.000 0.951 117 G HN 0.463 nan 8.290 nan 0.000 0.615 118 Y N 1.719 122.055 120.300 0.059 0.000 2.486 118 Y HA 0.502 5.052 4.550 -0.000 0.000 0.348 118 Y C 1.058 176.994 175.900 0.060 0.000 1.000 118 Y CA 0.592 58.736 58.100 0.072 0.000 1.253 118 Y CB 0.723 39.226 38.460 0.071 0.000 1.140 118 Y HN 0.791 nan 8.280 nan 0.000 0.526 119 G N 5.660 114.524 108.800 0.107 0.000 2.415 119 G HA2 0.373 4.333 3.960 -0.000 0.000 0.269 119 G HA3 0.373 4.333 3.960 -0.000 0.000 0.269 119 G C -1.226 173.781 174.900 0.179 0.000 1.209 119 G CA -0.675 44.496 45.100 0.120 0.000 0.835 119 G HN 0.623 nan 8.290 nan 0.000 0.534 120 K N 1.896 122.380 120.400 0.140 0.000 2.468 120 K HA 0.419 4.739 4.320 -0.000 0.000 0.252 120 K C -0.548 176.091 176.600 0.065 0.000 0.932 120 K CA -0.887 55.470 56.287 0.118 0.000 0.794 120 K CB 1.749 34.319 32.500 0.117 0.000 1.241 120 K HN 0.382 nan 8.250 nan 0.000 0.428 121 I N 4.580 125.178 120.570 0.048 0.000 2.347 121 I HA 0.032 4.202 4.170 -0.000 0.000 0.294 121 I C 1.022 177.154 176.117 0.025 0.000 1.090 121 I CA -0.086 61.232 61.300 0.031 0.000 1.314 121 I CB 0.958 38.972 38.000 0.023 0.000 1.423 121 I HN 0.772 nan 8.210 nan 0.000 0.503 122 T N 1.182 115.750 114.554 0.023 0.000 3.086 122 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 122 T C 0.604 175.311 174.700 0.012 0.000 1.074 122 T CA -0.259 61.851 62.100 0.017 0.000 0.988 122 T CB 0.364 69.243 68.868 0.018 0.000 0.988 122 T HN 0.746 nan 8.240 nan 0.000 0.530 123 G N 0.333 109.140 108.800 0.012 0.000 2.442 123 G HA2 0.357 4.317 3.960 -0.000 0.000 0.296 123 G HA3 0.357 4.317 3.960 -0.000 0.000 0.296 123 G C 0.014 174.919 174.900 0.009 0.000 1.564 123 G CA -0.900 44.205 45.100 0.008 0.000 0.828 123 G HN -0.173 nan 8.290 nan 0.000 0.571 124 K N 0.136 120.539 120.400 0.006 0.000 2.207 124 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 124 K C 0.884 177.490 176.600 0.010 0.000 1.046 124 K CA 1.786 58.076 56.287 0.005 0.000 0.929 124 K CB -0.031 32.470 32.500 0.002 0.000 0.720 124 K HN 0.476 nan 8.250 nan 0.000 0.463 125 N N -0.084 118.623 118.700 0.011 0.000 2.365 125 N HA 0.042 4.782 4.740 -0.000 0.000 0.257 125 N C -0.889 174.629 175.510 0.013 0.000 1.287 125 N CA -0.135 52.923 53.050 0.014 0.000 0.882 125 N CB 1.062 39.557 38.487 0.014 0.000 1.250 125 N HN 0.146 nan 8.380 nan 0.000 0.507 126 Q N 0.525 120.333 119.800 0.013 0.000 2.315 126 Q HA 0.584 4.924 4.340 -0.000 0.000 0.273 126 Q C -1.923 174.088 176.000 0.018 0.000 1.053 126 Q CA -0.665 55.147 55.803 0.014 0.000 0.817 126 Q CB 1.947 30.693 28.738 0.013 0.000 1.326 126 Q HN -0.068 nan 8.270 nan 0.000 0.423 127 V N 2.493 122.419 119.914 0.020 0.000 2.638 127 V HA 0.513 4.633 4.120 -0.000 0.000 0.306 127 V C -0.759 175.354 176.094 0.031 0.000 1.052 127 V CA -0.565 61.752 62.300 0.027 0.000 0.885 127 V CB 2.191 34.029 31.823 0.026 0.000 0.999 127 V HN 0.877 nan 8.190 nan 0.000 0.424 128 T N 4.184 118.763 114.554 0.041 0.000 2.772 128 T HA 0.645 4.995 4.350 -0.000 0.000 0.288 128 T C 0.009 174.748 174.700 0.065 0.000 0.994 128 T CA -0.235 61.891 62.100 0.043 0.000 0.951 128 T CB 1.365 70.255 68.868 0.037 0.000 0.933 128 T HN 0.892 nan 8.240 nan 0.000 0.447 129 A N 3.422 126.279 122.820 0.061 0.000 2.253 129 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 129 A C 0.445 178.076 177.584 0.078 0.000 1.327 129 A CA -0.632 51.454 52.037 0.082 0.000 0.917 129 A CB 0.174 19.211 19.000 0.062 0.000 1.162 129 A HN 0.675 nan 8.150 nan 0.000 0.535 130 T N 4.063 118.682 114.554 0.109 0.000 2.744 130 T HA 0.274 4.624 4.350 -0.000 0.000 0.291 130 T C 0.346 175.101 174.700 0.092 0.000 0.957 130 T CA -0.333 61.816 62.100 0.082 0.000 1.002 130 T CB 0.607 69.514 68.868 0.064 0.000 0.919 130 T HN 0.656 nan 8.240 nan 0.000 0.468 131 K N 1.444 121.879 120.400 0.059 0.000 2.132 131 K HA 0.443 4.763 4.320 -0.000 0.000 0.240 131 K C 1.678 178.310 176.600 0.053 0.000 1.036 131 K CA -0.514 55.806 56.287 0.055 0.000 0.888 131 K CB 0.371 32.889 32.500 0.030 0.000 1.071 131 K HN 0.562 nan 8.250 nan 0.000 0.502 132 A N 1.625 124.475 122.820 0.050 0.000 1.892 132 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 132 A C 1.443 179.044 177.584 0.027 0.000 1.188 132 A CA 2.422 54.484 52.037 0.043 0.000 0.631 132 A CB -0.798 18.225 19.000 0.039 0.000 0.822 132 A HN 0.888 nan 8.150 nan 0.000 0.447 133 D N -2.863 117.550 120.400 0.022 0.000 2.349 133 D HA 0.328 4.968 4.640 -0.000 0.000 0.224 133 D C 1.146 177.454 176.300 0.012 0.000 1.029 133 D CA 1.055 55.063 54.000 0.014 0.000 0.879 133 D CB -0.248 40.559 40.800 0.011 0.000 0.906 133 D HN 0.805 nan 8.370 nan 0.000 0.528 134 G N -0.682 108.128 108.800 0.016 0.000 2.213 134 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.236 134 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.236 134 G C 0.758 175.666 174.900 0.013 0.000 0.991 134 G CA -0.216 44.892 45.100 0.012 0.000 0.629 134 G HN 0.769 nan 8.290 nan 0.000 0.517 135 G N 1.891 110.699 108.800 0.014 0.000 2.563 135 G HA2 0.532 4.492 3.960 -0.000 0.000 0.295 135 G HA3 0.532 4.492 3.960 -0.000 0.000 0.295 135 G C 0.719 175.628 174.900 0.015 0.000 0.874 135 G CA 1.253 46.360 45.100 0.012 0.000 1.642 135 G HN 1.380 nan 8.290 nan 0.000 0.483 136 T N -0.151 114.412 114.554 0.016 0.000 2.868 136 T HA 0.510 4.860 4.350 -0.000 0.000 0.292 136 T C -0.087 174.622 174.700 0.016 0.000 1.028 136 T CA -0.538 61.574 62.100 0.020 0.000 1.059 136 T CB 1.854 70.734 68.868 0.020 0.000 0.991 136 T HN 0.510 nan 8.240 nan 0.000 0.531 137 Q N 1.256 121.068 119.800 0.019 0.000 2.285 137 Q HA 0.561 4.901 4.340 -0.000 0.000 0.269 137 Q C -1.844 174.166 176.000 0.017 0.000 1.030 137 Q CA -0.759 55.051 55.803 0.013 0.000 0.788 137 Q CB 1.882 30.625 28.738 0.007 0.000 1.266 137 Q HN 0.692 nan 8.270 nan 0.000 0.438 138 V N 5.298 125.220 119.914 0.013 0.000 2.472 138 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 138 V C -0.453 175.647 176.094 0.011 0.000 1.037 138 V CA -0.567 61.741 62.300 0.014 0.000 0.908 138 V CB 1.339 33.170 31.823 0.012 0.000 0.985 138 V HN 0.755 nan 8.190 nan 0.000 0.454 139 I N 3.688 124.266 120.570 0.012 0.000 2.466 139 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 139 I C -0.740 175.382 176.117 0.009 0.000 1.026 139 I CA -0.329 60.977 61.300 0.008 0.000 1.078 139 I CB 1.898 39.901 38.000 0.006 0.000 1.249 139 I HN 0.426 nan 8.210 nan 0.000 0.429 140 D N 4.011 124.415 120.400 0.008 0.000 2.280 140 D HA 0.461 5.101 4.640 -0.000 0.000 0.236 140 D C -0.276 176.029 176.300 0.008 0.000 1.082 140 D CA -0.041 53.964 54.000 0.009 0.000 0.834 140 D CB 1.988 42.794 40.800 0.010 0.000 1.100 140 D HN 0.441 nan 8.370 nan 0.000 0.486 141 T N 0.815 115.373 114.554 0.007 0.000 2.912 141 T HA 0.198 4.548 4.350 -0.000 0.000 0.299 141 T C 1.005 175.710 174.700 0.008 0.000 1.052 141 T CA -0.649 61.453 62.100 0.003 0.000 0.996 141 T CB 1.320 70.182 68.868 -0.010 0.000 1.070 141 T HN 0.125 nan 8.240 nan 0.000 0.465 142 K N 2.165 122.572 120.400 0.011 0.000 1.991 142 K HA 0.001 4.321 4.320 -0.000 0.000 0.212 142 K C 0.558 177.170 176.600 0.020 0.000 1.049 142 K CA 1.152 57.452 56.287 0.022 0.000 0.932 142 K CB -0.034 32.487 32.500 0.035 0.000 0.717 142 K HN 0.502 nan 8.250 nan 0.000 0.441 143 N N 0.277 118.967 118.700 -0.017 0.000 2.384 143 N HA 0.370 5.110 4.740 -0.000 0.000 0.301 143 N C -0.761 174.747 175.510 -0.002 0.000 1.133 143 N CA -0.391 52.663 53.050 0.006 0.000 0.853 143 N CB 2.033 40.463 38.487 -0.095 0.000 1.241 143 N HN -0.027 nan 8.380 nan 0.000 0.502 144 I N 1.608 122.222 120.570 0.073 0.000 2.447 144 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 144 I C -0.957 175.219 176.117 0.098 0.000 1.023 144 I CA -0.833 60.497 61.300 0.051 0.000 1.083 144 I CB 2.052 40.082 38.000 0.049 0.000 1.245 144 I HN 0.158 nan 8.210 nan 0.000 0.434 145 L N 8.455 129.693 121.223 0.024 0.000 2.295 145 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 145 L C -0.492 176.398 176.870 0.034 0.000 1.018 145 L CA -0.126 54.732 54.840 0.030 0.000 0.841 145 L CB 0.722 42.734 42.059 -0.078 0.000 1.218 145 L HN 0.383 nan 8.230 nan 0.000 0.424 146 I N 5.359 125.969 120.570 0.066 0.000 2.416 146 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 146 I C 0.617 176.762 176.117 0.047 0.000 1.051 146 I CA 0.055 61.385 61.300 0.051 0.000 1.375 146 I CB 1.153 39.185 38.000 0.054 0.000 1.407 146 I HN 0.829 nan 8.210 nan 0.000 0.516 147 A N 3.598 126.442 122.820 0.039 0.000 3.292 147 A HA 0.220 4.540 4.320 -0.000 0.000 0.231 147 A C 0.801 178.418 177.584 0.055 0.000 0.952 147 A CA -0.366 51.695 52.037 0.039 0.000 1.044 147 A CB -0.348 18.664 19.000 0.021 0.000 1.236 147 A HN 0.752 nan 8.150 nan 0.000 0.525 148 T N -2.757 111.841 114.554 0.072 0.000 3.160 148 T HA 0.410 4.760 4.350 -0.000 0.000 0.257 148 T C 1.460 176.259 174.700 0.166 0.000 1.147 148 T CA 1.115 63.286 62.100 0.119 0.000 1.064 148 T CB -0.353 68.594 68.868 0.132 0.000 0.949 148 T HN 2.027 nan 8.240 nan 0.000 0.526 149 G N 1.856 110.723 108.800 0.112 0.000 2.566 149 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.280 149 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.280 149 G C 0.074 175.055 174.900 0.135 0.000 1.225 149 G CA 0.446 45.605 45.100 0.098 0.000 0.966 149 G HN 1.564 nan 8.290 nan 0.000 0.560 150 S N -0.617 115.142 115.700 0.098 0.000 2.732 150 S HA 0.828 5.298 4.470 -0.000 0.000 0.293 150 S C -0.614 174.013 174.600 0.046 0.000 1.159 150 S CA 0.368 58.633 58.200 0.109 0.000 0.847 150 S CB 2.463 65.705 63.200 0.071 0.000 1.169 150 S HN 1.722 nan 8.310 nan 0.000 0.501 151 E N -0.599 119.638 120.200 0.061 0.000 2.433 151 E HA 0.630 4.980 4.350 -0.000 0.000 0.278 151 E C -1.413 175.211 176.600 0.039 0.000 0.976 151 E CA -1.272 55.129 56.400 0.002 0.000 0.793 151 E CB 1.423 31.123 29.700 0.000 0.000 1.311 151 E HN 0.400 nan 8.360 nan 0.000 0.460 152 V N 1.433 121.362 119.914 0.026 0.000 2.763 152 V HA 0.085 4.205 4.120 -0.000 0.000 0.306 152 V C 0.152 176.282 176.094 0.060 0.000 1.059 152 V CA 0.252 62.579 62.300 0.045 0.000 1.138 152 V CB 1.051 32.897 31.823 0.038 0.000 0.940 152 V HN 0.706 nan 8.190 nan 0.000 0.489 153 T N 7.630 122.225 114.554 0.068 0.000 2.749 153 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 153 T C -2.113 172.634 174.700 0.078 0.000 0.936 153 T CA -0.671 61.469 62.100 0.066 0.000 1.060 153 T CB 1.082 69.985 68.868 0.057 0.000 0.904 153 T HN 0.602 nan 8.240 nan 0.000 0.500 154 P HA 0.238 nan 4.420 nan 0.000 0.274 154 P C -0.888 176.478 177.300 0.109 0.000 1.231 154 P CA -0.558 62.596 63.100 0.090 0.000 0.790 154 P CB 0.614 32.353 31.700 0.065 0.000 0.951 155 F N 4.123 124.080 119.950 0.011 0.000 2.404 155 F HA 0.350 4.877 4.527 0.000 0.000 0.354 155 F C -1.877 173.925 175.800 0.003 0.000 1.122 155 F CA -2.797 55.206 58.000 0.005 0.000 1.080 155 F CB 0.982 39.988 39.000 0.009 0.000 1.131 155 F HN 0.155 nan 8.300 nan 0.000 0.471 156 P HA 0.160 nan 4.420 nan 0.000 0.262 156 P C 0.489 177.843 177.300 0.089 0.000 1.199 156 P CA 1.004 64.052 63.100 -0.087 0.000 0.763 156 P CB 0.785 32.362 31.700 -0.205 0.000 0.790 157 G N 3.027 111.896 108.800 0.114 0.000 2.175 157 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 157 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 157 G C -0.016 174.976 174.900 0.152 0.000 0.982 157 G CA -0.235 44.944 45.100 0.130 0.000 0.641 157 G HN 0.540 nan 8.290 nan 0.000 0.527 158 I N 1.823 122.514 120.570 0.202 0.000 2.439 158 I HA 0.372 4.542 4.170 -0.000 0.000 0.285 158 I C -0.279 175.894 176.117 0.094 0.000 1.021 158 I CA -0.627 60.744 61.300 0.118 0.000 1.091 158 I CB 2.174 40.215 38.000 0.069 0.000 1.242 158 I HN -0.020 nan 8.210 nan 0.000 0.439 159 T N 6.971 121.555 114.554 0.050 0.000 2.744 159 T HA 0.494 4.844 4.350 -0.000 0.000 0.291 159 T C 0.188 174.901 174.700 0.021 0.000 0.957 159 T CA -0.284 61.839 62.100 0.039 0.000 1.002 159 T CB 0.724 69.608 68.868 0.027 0.000 0.919 159 T HN 0.268 nan 8.240 nan 0.000 0.468 160 I N 3.802 124.387 120.570 0.025 0.000 2.471 160 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 160 I C 0.778 176.896 176.117 0.002 0.000 1.079 160 I CA -0.080 61.225 61.300 0.010 0.000 1.398 160 I CB 0.842 38.853 38.000 0.018 0.000 1.403 160 I HN 0.751 nan 8.210 nan 0.000 0.530 161 D N 3.883 124.276 120.400 -0.011 0.000 2.469 161 D HA -0.022 4.618 4.640 -0.000 0.000 0.213 161 D C 0.320 176.608 176.300 -0.019 0.000 1.135 161 D CA -0.156 53.836 54.000 -0.013 0.000 0.834 161 D CB 0.226 41.016 40.800 -0.017 0.000 1.009 161 D HN 0.387 nan 8.370 nan 0.000 0.507 162 E N -0.182 120.003 120.200 -0.024 0.000 2.722 162 E HA -0.247 4.103 4.350 -0.000 0.000 0.265 162 E C -0.010 176.565 176.600 -0.042 0.000 1.081 162 E CA 1.340 57.722 56.400 -0.030 0.000 0.781 162 E CB -1.504 28.184 29.700 -0.019 0.000 1.372 162 E HN 0.610 nan 8.360 nan 0.000 0.423 163 D N -0.884 119.486 120.400 -0.050 0.000 3.137 163 D HA 0.085 4.725 4.640 -0.000 0.000 0.236 163 D C 1.631 177.882 176.300 -0.082 0.000 1.557 163 D CA 2.023 55.987 54.000 -0.059 0.000 1.305 163 D CB -0.145 40.628 40.800 -0.046 0.000 1.065 163 D HN 0.105 nan 8.370 nan 0.000 0.290 164 T N -1.595 112.913 114.554 -0.077 0.000 2.969 164 T HA 0.370 4.720 4.350 -0.000 0.000 0.250 164 T C 0.950 175.595 174.700 -0.092 0.000 1.021 164 T CA -0.151 61.893 62.100 -0.094 0.000 1.003 164 T CB 0.508 69.327 68.868 -0.082 0.000 1.040 164 T HN 0.114 nan 8.240 nan 0.000 0.492 165 I N 3.705 124.233 120.570 -0.071 0.000 2.371 165 I HA 0.487 4.657 4.170 -0.000 0.000 0.282 165 I C -0.371 175.714 176.117 -0.053 0.000 1.031 165 I CA -1.188 60.073 61.300 -0.064 0.000 1.180 165 I CB 1.550 39.521 38.000 -0.049 0.000 1.336 165 I HN 0.113 nan 8.210 nan 0.000 0.467 166 V N 2.547 122.425 119.914 -0.061 0.000 3.019 166 V HA 0.785 4.905 4.120 -0.000 0.000 0.317 166 V C 0.191 176.273 176.094 -0.020 0.000 1.094 166 V CA -0.494 61.779 62.300 -0.045 0.000 1.000 166 V CB 1.719 33.502 31.823 -0.068 0.000 1.060 166 V HN 0.670 nan 8.190 nan 0.000 0.443 167 S N 0.702 116.401 115.700 -0.003 0.000 2.745 167 S HA 0.397 4.867 4.470 -0.000 0.000 0.292 167 S C 1.365 175.981 174.600 0.027 0.000 1.127 167 S CA 0.121 58.332 58.200 0.018 0.000 1.007 167 S CB 1.094 64.307 63.200 0.021 0.000 1.165 167 S HN 1.826 nan 8.310 nan 0.000 0.544 168 S N 0.109 115.836 115.700 0.044 0.000 2.400 168 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 168 S C 1.681 176.312 174.600 0.053 0.000 1.025 168 S CA 1.671 59.908 58.200 0.061 0.000 0.993 168 S CB -1.613 61.627 63.200 0.066 0.000 0.808 168 S HN 0.772 nan 8.310 nan 0.000 0.478 169 T N 2.092 116.664 114.554 0.031 0.000 2.674 169 T HA 0.031 4.381 4.350 -0.000 0.000 0.265 169 T C 2.080 176.795 174.700 0.025 0.000 1.039 169 T CA 1.502 63.615 62.100 0.022 0.000 1.150 169 T CB -1.155 67.716 68.868 0.005 0.000 0.864 169 T HN 0.637 nan 8.240 nan 0.000 0.427 170 G N 1.049 109.856 108.800 0.011 0.000 2.418 170 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.217 170 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.217 170 G C 1.823 176.724 174.900 0.002 0.000 1.158 170 G CA 0.856 45.953 45.100 -0.005 0.000 0.771 170 G HN 0.579 nan 8.290 nan 0.000 0.545 171 A N 0.399 123.232 122.820 0.021 0.000 2.024 171 A HA 0.120 4.440 4.320 -0.000 0.000 0.220 171 A C 2.285 180.030 177.584 0.269 0.000 1.164 171 A CA 0.980 53.059 52.037 0.069 0.000 0.643 171 A CB -0.291 18.775 19.000 0.110 0.000 0.806 171 A HN 0.378 nan 8.150 nan 0.000 0.451 172 L N -0.797 120.538 121.223 0.187 0.000 2.478 172 L HA 0.029 4.369 4.340 -0.000 0.000 0.223 172 L C 0.882 177.860 176.870 0.180 0.000 1.140 172 L CA 0.642 55.594 54.840 0.187 0.000 0.842 172 L CB 0.140 42.253 42.059 0.090 0.000 0.953 172 L HN 0.237 nan 8.230 nan 0.000 0.452 173 S N -0.216 115.572 115.700 0.148 0.000 2.902 173 S HA 0.328 4.798 4.470 -0.000 0.000 0.250 173 S C 0.308 174.955 174.600 0.078 0.000 1.046 173 S CA -0.501 57.765 58.200 0.110 0.000 1.069 173 S CB 0.284 63.513 63.200 0.049 0.000 0.967 173 S HN 0.086 nan 8.310 nan 0.000 0.530 174 L N 1.718 122.984 121.223 0.073 0.000 2.506 174 L HA 0.133 4.473 4.340 -0.000 0.000 0.281 174 L C 1.499 178.357 176.870 -0.020 0.000 1.228 174 L CA -0.102 54.660 54.840 -0.129 0.000 0.850 174 L CB 0.414 42.118 42.059 -0.593 0.000 1.110 174 L HN 0.049 nan 8.230 nan 0.000 0.496 175 K N 1.892 122.254 120.400 -0.063 0.000 2.361 175 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 175 K C 0.017 176.608 176.600 -0.015 0.000 1.039 175 K CA 0.696 56.971 56.287 -0.021 0.000 1.001 175 K CB 0.037 32.517 32.500 -0.033 0.000 0.795 175 K HN 0.620 nan 8.250 nan 0.000 0.495 176 K N -1.652 118.712 120.400 -0.060 0.000 2.579 176 K HA 0.302 4.622 4.320 -0.000 0.000 0.284 176 K C -0.781 175.769 176.600 -0.083 0.000 0.990 176 K CA -0.834 55.432 56.287 -0.035 0.000 0.880 176 K CB 1.476 33.946 32.500 -0.050 0.000 1.488 176 K HN -0.323 nan 8.250 nan 0.000 0.425 177 V N 3.146 123.069 119.914 0.016 0.000 2.446 177 V HA 0.164 4.284 4.120 -0.000 0.000 0.276 177 V C -1.756 174.281 176.094 -0.095 0.000 1.030 177 V CA -0.980 61.346 62.300 0.043 0.000 1.033 177 V CB 0.143 32.035 31.823 0.114 0.000 0.993 177 V HN 0.717 nan 8.190 nan 0.000 0.477 178 P HA 0.113 nan 4.420 nan 0.000 0.271 178 P C 0.600 177.836 177.300 -0.107 0.000 1.216 178 P CA -0.167 62.818 63.100 -0.191 0.000 0.776 178 P CB 1.307 32.835 31.700 -0.287 0.000 0.881 179 E N 2.452 122.602 120.200 -0.084 0.000 2.077 179 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 179 E C 0.292 176.855 176.600 -0.062 0.000 0.989 179 E CA 1.073 57.440 56.400 -0.056 0.000 0.800 179 E CB 0.211 29.884 29.700 -0.046 0.000 0.746 179 E HN 0.347 nan 8.360 nan 0.000 0.452 180 K N 0.287 120.639 120.400 -0.081 0.000 2.482 180 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 180 K C -1.511 175.024 176.600 -0.110 0.000 0.936 180 K CA -0.564 55.673 56.287 -0.083 0.000 0.791 180 K CB 1.648 34.108 32.500 -0.066 0.000 1.213 180 K HN 0.010 nan 8.250 nan 0.000 0.428 181 M N 4.357 123.885 119.600 -0.119 0.000 2.464 181 M HA 0.437 4.917 4.480 -0.000 0.000 0.308 181 M C -1.748 174.484 176.300 -0.114 0.000 1.127 181 M CA -0.859 54.358 55.300 -0.138 0.000 0.913 181 M CB 1.984 34.482 32.600 -0.170 0.000 1.689 181 M HN 0.356 nan 8.290 nan 0.000 0.445 182 V N 4.649 124.504 119.914 -0.099 0.000 2.495 182 V HA 0.560 4.680 4.120 -0.000 0.000 0.298 182 V C -0.827 175.234 176.094 -0.055 0.000 1.031 182 V CA -0.679 61.579 62.300 -0.071 0.000 0.871 182 V CB 2.054 33.837 31.823 -0.067 0.000 0.988 182 V HN 0.693 nan 8.190 nan 0.000 0.432 183 V N 6.241 126.148 119.914 -0.011 0.000 2.417 183 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 183 V C -0.096 176.025 176.094 0.046 0.000 1.024 183 V CA -0.448 61.872 62.300 0.033 0.000 0.861 183 V CB 1.739 33.630 31.823 0.114 0.000 0.985 183 V HN 0.658 nan 8.190 nan 0.000 0.436 184 I N 4.789 125.370 120.570 0.018 0.000 2.291 184 I HA 0.663 4.833 4.170 -0.000 0.000 0.290 184 I C 0.731 176.903 176.117 0.091 0.000 1.050 184 I CA 0.108 61.417 61.300 0.015 0.000 1.245 184 I CB 0.963 38.899 38.000 -0.107 0.000 1.405 184 I HN 0.893 nan 8.210 nan 0.000 0.478 185 G N 4.516 113.394 108.800 0.130 0.000 3.363 185 G HA2 0.127 4.087 3.960 -0.000 0.000 0.685 185 G HA3 0.127 4.087 3.960 -0.000 0.000 0.685 185 G C -0.388 174.617 174.900 0.174 0.000 1.199 185 G CA -0.366 44.823 45.100 0.149 0.000 0.946 185 G HN 0.841 nan 8.290 nan 0.000 0.558 186 A N 1.686 124.602 122.820 0.160 0.000 3.003 186 A HA 0.778 5.098 4.320 -0.000 0.000 0.301 186 A C 1.367 179.035 177.584 0.141 0.000 1.280 186 A CA 1.044 53.194 52.037 0.188 0.000 0.973 186 A CB -0.197 18.904 19.000 0.168 0.000 1.110 186 A HN 2.052 nan 8.150 nan 0.000 0.590 187 G N -1.127 107.767 108.800 0.157 0.000 2.535 187 G HA2 0.358 4.318 3.960 -0.000 0.000 0.282 187 G HA3 0.358 4.318 3.960 -0.000 0.000 0.282 187 G C 1.111 176.140 174.900 0.216 0.000 1.350 187 G CA 0.219 45.419 45.100 0.167 0.000 1.039 187 G HN 0.175 nan 8.290 nan 0.000 0.509 188 V N 0.121 120.170 119.914 0.226 0.000 2.287 188 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 188 V C 2.805 179.036 176.094 0.229 0.000 1.053 188 V CA 1.781 64.227 62.300 0.243 0.000 1.027 188 V CB -0.762 31.186 31.823 0.210 0.000 0.646 188 V HN 0.568 nan 8.190 nan 0.000 0.447 189 I N 0.645 121.328 120.570 0.189 0.000 2.142 189 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 189 I C 2.640 178.875 176.117 0.197 0.000 1.078 189 I CA 1.806 63.209 61.300 0.171 0.000 1.343 189 I CB -0.986 37.094 38.000 0.134 0.000 1.046 189 I HN 0.419 nan 8.210 nan 0.000 0.405 190 G N 0.216 109.141 108.800 0.207 0.000 2.422 190 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 190 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 190 G C 1.721 176.828 174.900 0.345 0.000 1.146 190 G CA 0.737 45.981 45.100 0.239 0.000 0.769 190 G HN 0.240 nan 8.290 nan 0.000 0.547 191 V N 0.520 120.654 119.914 0.366 0.000 2.358 191 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 191 V C 2.711 179.091 176.094 0.477 0.000 1.047 191 V CA 2.110 64.695 62.300 0.476 0.000 1.035 191 V CB -0.314 31.728 31.823 0.365 0.000 0.658 191 V HN 0.479 nan 8.190 nan 0.000 0.452 192 E N -0.041 120.362 120.200 0.339 0.000 2.031 192 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 192 E C 2.265 178.977 176.600 0.187 0.000 0.994 192 E CA 1.317 57.874 56.400 0.262 0.000 0.800 192 E CB -0.203 29.625 29.700 0.212 0.000 0.752 192 E HN 0.475 nan 8.360 nan 0.000 0.447 193 L N 0.425 121.758 121.223 0.184 0.000 2.046 193 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 193 L C 2.608 179.581 176.870 0.172 0.000 1.077 193 L CA 1.204 56.145 54.840 0.167 0.000 0.747 193 L CB -0.730 41.453 42.059 0.207 0.000 0.896 193 L HN 0.255 nan 8.230 nan 0.000 0.432 194 G N -1.317 107.574 108.800 0.152 0.000 2.422 194 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 194 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 194 G C 1.814 176.499 174.900 -0.358 0.000 1.146 194 G CA 1.001 46.025 45.100 -0.126 0.000 0.769 194 G HN 0.324 nan 8.290 nan 0.000 0.547 195 S N -0.603 115.066 115.700 -0.052 0.000 2.387 195 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 195 S C 2.542 177.079 174.600 -0.105 0.000 1.026 195 S CA 1.156 59.341 58.200 -0.025 0.000 0.972 195 S CB -0.235 63.102 63.200 0.228 0.000 0.814 195 S HN 0.129 nan 8.310 nan 0.000 0.477 196 V N 0.328 120.161 119.914 -0.135 0.000 2.252 196 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 196 V C 1.968 177.787 176.094 -0.459 0.000 1.056 196 V CA 2.129 64.231 62.300 -0.330 0.000 1.022 196 V CB -0.855 30.666 31.823 -0.503 0.000 0.641 196 V HN 0.672 nan 8.190 nan 0.000 0.445 197 W N -0.664 120.556 121.300 -0.133 0.000 2.402 197 W HA -0.119 4.541 4.660 -0.000 0.000 0.286 197 W C 2.654 179.064 176.519 -0.183 0.000 1.221 197 W CA 1.075 58.327 57.345 -0.156 0.000 1.257 197 W CB -0.374 28.991 29.460 -0.158 0.000 1.120 197 W HN 0.166 nan 8.180 nan 0.000 0.551 198 Q N 1.393 121.143 119.800 -0.085 0.000 2.096 198 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 198 Q C 2.008 177.955 176.000 -0.089 0.000 0.982 198 Q CA 1.713 57.426 55.803 -0.151 0.000 0.850 198 Q CB -0.304 28.247 28.738 -0.311 0.000 0.901 198 Q HN 0.327 nan 8.270 nan 0.000 0.422 199 R N -0.201 120.236 120.500 -0.105 0.000 2.081 199 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 199 R C 2.367 178.685 176.300 0.029 0.000 1.131 199 R CA 1.126 57.195 56.100 -0.052 0.000 0.960 199 R CB -0.228 30.042 30.300 -0.049 0.000 0.856 199 R HN 0.259 nan 8.270 nan 0.000 0.436 200 L N -0.426 120.741 121.223 -0.094 0.000 2.622 200 L HA 0.084 4.424 4.340 -0.000 0.000 0.233 200 L C 1.149 177.975 176.870 -0.073 0.000 1.156 200 L CA 0.663 55.384 54.840 -0.198 0.000 0.866 200 L CB 0.064 41.945 42.059 -0.298 0.000 0.980 200 L HN 0.575 nan 8.230 nan 0.000 0.448 201 G N -0.894 107.906 108.800 0.000 0.000 2.229 201 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.189 201 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.189 201 G C 0.362 175.270 174.900 0.013 0.000 1.000 201 G CA -0.203 44.903 45.100 0.010 0.000 0.663 201 G HN 0.418 nan 8.290 nan 0.000 0.493 202 A N 0.404 123.240 122.820 0.027 0.000 2.407 202 A HA 0.525 4.845 4.320 -0.000 0.000 0.248 202 A C 0.135 177.689 177.584 -0.049 0.000 1.082 202 A CA 0.619 52.653 52.037 -0.005 0.000 0.785 202 A CB 0.479 19.491 19.000 0.021 0.000 1.020 202 A HN 0.430 nan 8.150 nan 0.000 0.489 203 D N 1.867 122.231 120.400 -0.059 0.000 2.380 203 D HA 0.399 5.039 4.640 -0.000 0.000 0.230 203 D C -0.736 175.498 176.300 -0.110 0.000 1.154 203 D CA 0.086 54.044 54.000 -0.069 0.000 0.859 203 D CB 0.595 41.366 40.800 -0.047 0.000 1.045 203 D HN 0.119 nan 8.370 nan 0.000 0.495 204 V N 3.575 123.387 119.914 -0.170 0.000 2.513 204 V HA 0.552 4.672 4.120 -0.000 0.000 0.299 204 V C 0.351 176.325 176.094 -0.199 0.000 1.035 204 V CA -0.633 61.517 62.300 -0.250 0.000 0.889 204 V CB 2.029 33.546 31.823 -0.510 0.000 0.988 204 V HN 0.581 nan 8.190 nan 0.000 0.440 205 T N 3.385 117.862 114.554 -0.130 0.000 2.881 205 T HA 0.716 5.066 4.350 -0.000 0.000 0.290 205 T C -0.317 174.381 174.700 -0.004 0.000 1.000 205 T CA -0.338 61.723 62.100 -0.065 0.000 0.978 205 T CB 1.703 70.544 68.868 -0.045 0.000 0.997 205 T HN 0.959 nan 8.240 nan 0.000 0.443 206 A N 2.763 125.594 122.820 0.018 0.000 2.304 206 A HA 0.792 5.112 4.320 -0.000 0.000 0.323 206 A C -0.445 177.215 177.584 0.126 0.000 1.195 206 A CA -0.615 51.497 52.037 0.125 0.000 0.826 206 A CB 0.766 19.915 19.000 0.249 0.000 1.184 206 A HN 0.680 nan 8.150 nan 0.000 0.496 207 V N 2.313 122.294 119.914 0.111 0.000 2.417 207 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 207 V C -0.287 175.884 176.094 0.128 0.000 1.024 207 V CA -0.380 61.980 62.300 0.101 0.000 0.861 207 V CB 1.252 33.109 31.823 0.058 0.000 0.985 207 V HN 1.001 nan 8.190 nan 0.000 0.436 208 E N 2.911 123.186 120.200 0.125 0.000 2.256 208 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 208 E C -0.104 176.563 176.600 0.112 0.000 0.877 208 E CA -0.659 55.815 56.400 0.123 0.000 0.757 208 E CB 1.563 31.307 29.700 0.074 0.000 1.183 208 E HN 0.376 nan 8.360 nan 0.000 0.418 209 F N 4.236 124.210 119.950 0.040 0.000 2.146 209 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 209 F C 0.424 176.227 175.800 0.004 0.000 1.096 209 F CA 0.981 59.002 58.000 0.035 0.000 1.275 209 F CB 0.177 39.207 39.000 0.050 0.000 1.008 209 F HN 0.451 nan 8.300 nan 0.000 0.480 210 L N -0.639 120.608 121.223 0.040 0.000 2.475 210 L HA 0.190 4.530 4.340 -0.000 0.000 0.250 210 L C 1.731 178.517 176.870 -0.140 0.000 1.224 210 L CA 0.213 55.011 54.840 -0.070 0.000 0.821 210 L CB -0.146 41.861 42.059 -0.087 0.000 1.141 210 L HN 0.100 nan 8.230 nan 0.000 0.494 211 G N -1.187 107.558 108.800 -0.091 0.000 3.233 211 G HA2 0.100 4.060 3.960 -0.000 0.000 0.227 211 G HA3 0.100 4.060 3.960 -0.000 0.000 0.227 211 G C 0.170 175.064 174.900 -0.010 0.000 1.175 211 G CA 0.034 45.103 45.100 -0.052 0.000 0.781 211 G HN 0.767 nan 8.290 nan 0.000 0.542 212 H N -2.334 116.694 119.070 -0.071 0.000 3.017 212 H HA 0.566 5.122 4.556 -0.000 0.000 0.346 212 H C -1.357 173.904 175.328 -0.112 0.000 1.286 212 H CA -0.776 55.207 56.048 -0.108 0.000 1.120 212 H CB 1.351 31.059 29.762 -0.091 0.000 1.860 212 H HN 0.157 nan 8.280 nan 0.000 0.542 213 V N -1.824 118.034 119.914 -0.093 0.000 2.850 213 V HA 0.751 4.871 4.120 -0.000 0.000 0.315 213 V C 0.961 177.158 176.094 0.171 0.000 1.064 213 V CA 0.336 62.565 62.300 -0.118 0.000 0.979 213 V CB 0.801 32.370 31.823 -0.423 0.000 1.039 213 V HN 1.461 nan 8.190 nan 0.000 0.452 214 G N 0.604 109.522 108.800 0.197 0.000 2.211 214 G HA2 0.357 4.317 3.960 -0.000 0.000 0.201 214 G HA3 0.357 4.317 3.960 -0.000 0.000 0.201 214 G C 1.508 176.601 174.900 0.323 0.000 0.997 214 G CA 0.344 45.624 45.100 0.300 0.000 0.652 214 G HN 2.978 nan 8.290 nan 0.000 0.500 215 G N -1.761 107.205 108.800 0.277 0.000 2.660 215 G HA2 0.186 4.146 3.960 -0.000 0.000 0.215 215 G HA3 0.186 4.146 3.960 -0.000 0.000 0.215 215 G C -0.011 175.104 174.900 0.358 0.000 1.345 215 G CA 0.099 45.367 45.100 0.281 0.000 0.877 215 G HN 1.465 nan 8.290 nan 0.000 0.549 216 V N 1.378 121.457 119.914 0.276 0.000 2.686 216 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 216 V C 1.874 178.116 176.094 0.246 0.000 1.055 216 V CA 1.945 64.383 62.300 0.229 0.000 1.050 216 V CB 0.474 32.398 31.823 0.169 0.000 0.984 216 V HN 2.846 nan 8.190 nan 0.000 0.482 217 G N 4.244 113.126 108.800 0.136 0.000 2.253 217 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 217 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 217 G C 0.328 175.159 174.900 -0.114 0.000 0.998 217 G CA 0.237 45.419 45.100 0.136 0.000 0.621 217 G HN 0.716 nan 8.290 nan 0.000 0.524 218 I N 2.012 122.386 120.570 -0.326 0.000 2.648 218 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 218 I C 0.651 176.339 176.117 -0.715 0.000 1.153 218 I CA -0.087 60.606 61.300 -1.012 0.000 1.426 218 I CB 0.491 38.029 38.000 -0.771 0.000 1.381 218 I HN 0.289 nan 8.210 nan 0.000 0.571 219 D N 6.270 126.198 120.400 -0.787 0.000 2.455 219 D HA -0.029 4.611 4.640 -0.000 0.000 0.241 219 D C 1.060 177.083 176.300 -0.461 0.000 1.138 219 D CA -0.137 53.493 54.000 -0.617 0.000 0.877 219 D CB 0.926 41.199 40.800 -0.878 0.000 1.187 219 D HN 0.421 nan 8.370 nan 0.000 0.451 220 M N 2.244 121.626 119.600 -0.364 0.000 2.159 220 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 220 M C 1.809 177.989 176.300 -0.200 0.000 1.063 220 M CA 1.386 56.517 55.300 -0.281 0.000 1.110 220 M CB -0.972 31.496 32.600 -0.220 0.000 1.374 220 M HN 0.702 nan 8.290 nan 0.000 0.411 221 E N 0.581 120.667 120.200 -0.190 0.000 2.051 221 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 221 E C 2.005 178.535 176.600 -0.117 0.000 0.991 221 E CA 0.997 57.320 56.400 -0.130 0.000 0.799 221 E CB 0.186 29.817 29.700 -0.116 0.000 0.748 221 E HN 0.272 nan 8.360 nan 0.000 0.449 222 I N 1.076 121.545 120.570 -0.168 0.000 2.163 222 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 222 I C 2.694 178.770 176.117 -0.068 0.000 1.085 222 I CA 1.362 62.586 61.300 -0.126 0.000 1.347 222 I CB -1.469 36.407 38.000 -0.207 0.000 1.044 222 I HN 0.204 nan 8.210 nan 0.000 0.408 223 S N 0.533 116.158 115.700 -0.125 0.000 2.370 223 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 223 S C 2.025 176.627 174.600 0.003 0.000 1.033 223 S CA 1.418 59.601 58.200 -0.030 0.000 1.011 223 S CB 0.007 63.145 63.200 -0.102 0.000 0.852 223 S HN 0.260 nan 8.310 nan 0.000 0.457 224 K N 1.555 121.928 120.400 -0.046 0.000 2.025 224 K HA 0.096 4.416 4.320 -0.000 0.000 0.207 224 K C 1.918 178.502 176.600 -0.026 0.000 1.049 224 K CA 1.214 57.469 56.287 -0.053 0.000 0.933 224 K CB -1.126 31.342 32.500 -0.054 0.000 0.714 224 K HN 0.384 nan 8.250 nan 0.000 0.438 225 N N 0.773 119.477 118.700 0.007 0.000 2.166 225 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 225 N C 1.566 177.135 175.510 0.098 0.000 1.019 225 N CA 0.673 53.745 53.050 0.037 0.000 0.856 225 N CB -0.455 38.054 38.487 0.037 0.000 0.993 225 N HN 0.088 nan 8.380 nan 0.000 0.426 226 F N 2.067 121.977 119.950 -0.067 0.000 2.102 226 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 226 F C 2.468 178.213 175.800 -0.093 0.000 1.105 226 F CA 1.524 59.487 58.000 -0.061 0.000 1.239 226 F CB -0.762 38.198 39.000 -0.067 0.000 0.991 226 F HN 0.111 nan 8.300 nan 0.000 0.474 227 Q N 0.267 119.917 119.800 -0.250 0.000 2.084 227 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 227 Q C 2.417 178.277 176.000 -0.234 0.000 0.978 227 Q CA 1.832 57.346 55.803 -0.481 0.000 0.844 227 Q CB -0.220 28.228 28.738 -0.483 0.000 0.898 227 Q HN 0.427 nan 8.270 nan 0.000 0.426 228 R N -0.124 120.311 120.500 -0.108 0.000 2.096 228 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 228 R C 2.328 178.626 176.300 -0.003 0.000 1.127 228 R CA 1.502 57.583 56.100 -0.032 0.000 0.968 228 R CB -0.269 30.026 30.300 -0.008 0.000 0.861 228 R HN 0.366 nan 8.270 nan 0.000 0.440 229 I N 0.680 121.248 120.570 -0.002 0.000 2.252 229 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 229 I C 2.165 178.296 176.117 0.025 0.000 1.102 229 I CA 1.162 62.485 61.300 0.038 0.000 1.385 229 I CB -0.143 37.912 38.000 0.091 0.000 1.064 229 I HN 0.128 nan 8.210 nan 0.000 0.414 230 L N -0.091 121.091 121.223 -0.068 0.000 2.083 230 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 230 L C 2.591 179.541 176.870 0.134 0.000 1.083 230 L CA 1.370 56.212 54.840 0.004 0.000 0.752 230 L CB -0.560 41.404 42.059 -0.160 0.000 0.899 230 L HN 0.328 nan 8.230 nan 0.000 0.433 231 Q N -0.044 119.829 119.800 0.122 0.000 2.079 231 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 231 Q C 2.171 178.231 176.000 0.100 0.000 0.974 231 Q CA 1.341 57.229 55.803 0.141 0.000 0.840 231 Q CB -0.016 28.798 28.738 0.126 0.000 0.898 231 Q HN 0.407 nan 8.270 nan 0.000 0.430 232 K N 0.476 120.924 120.400 0.080 0.000 2.280 232 K HA -0.163 4.157 4.320 -0.000 0.000 0.202 232 K C 1.865 178.516 176.600 0.086 0.000 1.047 232 K CA 0.977 57.310 56.287 0.076 0.000 0.942 232 K CB 0.087 32.630 32.500 0.072 0.000 0.739 232 K HN 0.264 nan 8.250 nan 0.000 0.457 233 Q N -1.118 118.738 119.800 0.094 0.000 2.435 233 Q HA 0.006 4.346 4.340 -0.000 0.000 0.207 233 Q C 0.931 176.971 176.000 0.067 0.000 0.956 233 Q CA 0.757 56.607 55.803 0.080 0.000 0.917 233 Q CB 0.678 29.456 28.738 0.068 0.000 0.997 233 Q HN 0.525 nan 8.270 nan 0.000 0.497 234 G N 0.283 109.135 108.800 0.086 0.000 2.192 234 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.193 234 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.193 234 G C -0.390 174.554 174.900 0.073 0.000 0.999 234 G CA -0.580 44.557 45.100 0.063 0.000 0.659 234 G HN 0.274 nan 8.290 nan 0.000 0.503 235 F N 3.320 123.216 119.950 -0.089 0.000 2.444 235 F HA 0.619 5.146 4.527 -0.000 0.000 0.360 235 F C 0.717 176.309 175.800 -0.346 0.000 1.106 235 F CA -0.916 56.948 58.000 -0.227 0.000 1.170 235 F CB 0.443 39.325 39.000 -0.197 0.000 1.113 235 F HN 0.027 nan 8.300 nan 0.000 0.521 236 K N 5.485 125.900 120.400 0.024 0.000 2.098 236 K HA 0.536 4.856 4.320 -0.000 0.000 0.261 236 K C -1.375 174.964 176.600 -0.434 0.000 0.987 236 K CA -0.421 55.796 56.287 -0.116 0.000 0.916 236 K CB 1.277 33.758 32.500 -0.032 0.000 1.039 236 K HN 0.384 nan 8.250 nan 0.000 0.455 237 F N 0.898 120.865 119.950 0.028 0.000 2.565 237 F HA 0.371 4.898 4.527 -0.000 0.000 0.313 237 F C -0.124 175.670 175.800 -0.010 0.000 1.091 237 F CA -0.856 57.133 58.000 -0.019 0.000 0.915 237 F CB 1.947 40.876 39.000 -0.118 0.000 1.208 237 F HN 0.122 nan 8.300 nan 0.000 0.453 238 K N 4.437 124.942 120.400 0.175 0.000 2.530 238 K HA 0.497 4.817 4.320 -0.000 0.000 0.230 238 K C -0.979 175.673 176.600 0.087 0.000 1.002 238 K CA -0.282 56.064 56.287 0.098 0.000 1.014 238 K CB 1.096 33.632 32.500 0.060 0.000 1.286 238 K HN 0.516 nan 8.250 nan 0.000 0.480 239 L N 1.770 123.026 121.223 0.056 0.000 2.439 239 L HA 0.246 4.586 4.340 -0.000 0.000 0.259 239 L C 0.638 177.477 176.870 -0.052 0.000 1.129 239 L CA -0.661 54.177 54.840 -0.004 0.000 0.803 239 L CB 0.436 42.472 42.059 -0.037 0.000 1.161 239 L HN 0.705 nan 8.230 nan 0.000 0.462 240 N N 0.124 118.751 118.700 -0.122 0.000 2.735 240 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 240 N C -0.667 174.729 175.510 -0.190 0.000 1.083 240 N CA 0.907 53.824 53.050 -0.223 0.000 0.703 240 N CB -1.171 37.220 38.487 -0.160 0.000 1.005 240 N HN 0.682 nan 8.380 nan 0.000 0.550 241 T N 0.343 114.829 114.554 -0.113 0.000 2.886 241 T HA 0.390 4.740 4.350 -0.000 0.000 0.292 241 T C 0.191 174.959 174.700 0.113 0.000 1.012 241 T CA -0.696 61.399 62.100 -0.009 0.000 0.982 241 T CB 2.895 71.780 68.868 0.027 0.000 1.018 241 T HN 0.135 nan 8.240 nan 0.000 0.451 242 K N 2.175 122.681 120.400 0.177 0.000 2.138 242 K HA 0.657 4.977 4.320 -0.000 0.000 0.263 242 K C -0.983 175.746 176.600 0.214 0.000 0.965 242 K CA -0.655 55.826 56.287 0.323 0.000 0.868 242 K CB 1.143 33.861 32.500 0.362 0.000 1.083 242 K HN 0.332 nan 8.250 nan 0.000 0.443 243 V N 3.748 123.810 119.914 0.246 0.000 2.383 243 V HA 0.086 4.206 4.120 -0.000 0.000 0.275 243 V C 1.144 177.378 176.094 0.234 0.000 1.036 243 V CA -0.246 62.140 62.300 0.143 0.000 0.889 243 V CB 1.133 32.924 31.823 -0.053 0.000 0.985 243 V HN 1.078 nan 8.190 nan 0.000 0.459 244 T N 0.733 115.375 114.554 0.145 0.000 3.044 244 T HA 0.485 4.835 4.350 -0.000 0.000 0.250 244 T C 0.656 175.444 174.700 0.147 0.000 1.081 244 T CA 0.423 62.617 62.100 0.157 0.000 1.040 244 T CB 0.421 69.351 68.868 0.103 0.000 0.962 244 T HN 1.151 nan 8.240 nan 0.000 0.506 245 G N -0.227 108.628 108.800 0.092 0.000 2.340 245 G HA2 0.579 4.539 3.960 -0.000 0.000 0.298 245 G HA3 0.579 4.539 3.960 -0.000 0.000 0.298 245 G C -1.983 172.910 174.900 -0.010 0.000 1.498 245 G CA -0.408 44.730 45.100 0.064 0.000 0.847 245 G HN 0.753 nan 8.290 nan 0.000 0.594 246 A N -0.282 122.528 122.820 -0.018 0.000 2.520 246 A HA 0.931 5.251 4.320 -0.000 0.000 0.298 246 A C -0.526 177.044 177.584 -0.022 0.000 1.051 246 A CA -0.391 51.621 52.037 -0.042 0.000 0.690 246 A CB 2.069 21.017 19.000 -0.087 0.000 1.281 246 A HN 1.246 nan 8.150 nan 0.000 0.402 247 T N 1.488 116.028 114.554 -0.023 0.000 2.881 247 T HA 0.457 4.807 4.350 -0.000 0.000 0.290 247 T C -0.507 174.179 174.700 -0.024 0.000 1.000 247 T CA -0.445 61.645 62.100 -0.017 0.000 0.978 247 T CB 1.417 70.279 68.868 -0.009 0.000 0.997 247 T HN 0.659 nan 8.240 nan 0.000 0.443 248 K N 3.293 123.680 120.400 -0.023 0.000 2.312 248 K HA 0.305 4.625 4.320 -0.000 0.000 0.287 248 K C -0.114 176.473 176.600 -0.022 0.000 1.062 248 K CA -0.130 56.141 56.287 -0.027 0.000 0.934 248 K CB 0.321 32.806 32.500 -0.026 0.000 1.027 248 K HN 0.378 nan 8.250 nan 0.000 0.478 249 K N 1.772 122.158 120.400 -0.024 0.000 2.090 249 K HA 0.099 4.419 4.320 -0.000 0.000 0.250 249 K C 1.103 177.691 176.600 -0.019 0.000 1.004 249 K CA -0.022 56.253 56.287 -0.019 0.000 0.919 249 K CB 1.160 33.648 32.500 -0.020 0.000 1.045 249 K HN 0.796 nan 8.250 nan 0.000 0.471 250 S N 0.248 115.938 115.700 -0.016 0.000 2.419 250 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 250 S C 1.175 175.765 174.600 -0.017 0.000 1.019 250 S CA 1.738 59.929 58.200 -0.015 0.000 0.982 250 S CB -0.439 62.754 63.200 -0.012 0.000 0.789 250 S HN 0.777 nan 8.310 nan 0.000 0.490 251 D N 0.527 120.916 120.400 -0.019 0.000 2.336 251 D HA 0.257 4.897 4.640 -0.000 0.000 0.229 251 D C 1.432 177.716 176.300 -0.026 0.000 1.061 251 D CA 0.594 54.581 54.000 -0.020 0.000 0.875 251 D CB -0.736 40.052 40.800 -0.020 0.000 0.904 251 D HN 0.578 nan 8.370 nan 0.000 0.525 252 G N -0.248 108.536 108.800 -0.028 0.000 2.234 252 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 252 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 252 G C 0.393 175.268 174.900 -0.041 0.000 0.987 252 G CA 0.377 45.457 45.100 -0.034 0.000 0.625 252 G HN 0.509 nan 8.290 nan 0.000 0.532 253 K N -0.279 120.098 120.400 -0.039 0.000 2.098 253 K HA 0.720 5.040 4.320 -0.000 0.000 0.244 253 K C 0.060 176.634 176.600 -0.043 0.000 1.014 253 K CA -0.497 55.763 56.287 -0.045 0.000 0.917 253 K CB 0.939 33.415 32.500 -0.040 0.000 1.072 253 K HN 0.213 nan 8.250 nan 0.000 0.477 254 I N 1.208 121.749 120.570 -0.049 0.000 2.433 254 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 254 I C -0.854 175.236 176.117 -0.045 0.000 1.001 254 I CA -0.731 60.540 61.300 -0.048 0.000 1.119 254 I CB 1.842 39.806 38.000 -0.061 0.000 1.289 254 I HN 0.369 nan 8.210 nan 0.000 0.438 255 D N 5.700 126.079 120.400 -0.036 0.000 2.232 255 D HA 0.399 5.039 4.640 -0.000 0.000 0.242 255 D C -0.642 175.636 176.300 -0.036 0.000 1.093 255 D CA -0.078 53.904 54.000 -0.031 0.000 0.845 255 D CB 2.220 43.007 40.800 -0.021 0.000 1.124 255 D HN 0.032 nan 8.370 nan 0.000 0.467 256 V N 2.192 122.083 119.914 -0.039 0.000 2.384 256 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 256 V C 0.206 176.285 176.094 -0.026 0.000 1.020 256 V CA -0.878 61.394 62.300 -0.047 0.000 0.850 256 V CB 1.441 33.225 31.823 -0.065 0.000 0.987 256 V HN 0.566 nan 8.190 nan 0.000 0.436 257 S N 6.180 121.872 115.700 -0.013 0.000 2.525 257 S HA 0.869 5.339 4.470 -0.000 0.000 0.278 257 S C -0.368 174.243 174.600 0.020 0.000 1.234 257 S CA -0.609 57.596 58.200 0.007 0.000 1.058 257 S CB 1.390 64.600 63.200 0.018 0.000 0.983 257 S HN 0.803 nan 8.310 nan 0.000 0.495 258 I N -1.531 119.055 120.570 0.026 0.000 3.074 258 I HA 0.806 4.976 4.170 -0.000 0.000 0.310 258 I C -0.991 175.154 176.117 0.047 0.000 1.153 258 I CA -1.083 60.243 61.300 0.043 0.000 0.993 258 I CB 2.341 40.361 38.000 0.033 0.000 1.237 258 I HN 0.599 nan 8.210 nan 0.000 0.443 259 E N 1.409 121.646 120.200 0.061 0.000 2.430 259 E HA 0.611 4.961 4.350 -0.000 0.000 0.279 259 E C -1.225 175.402 176.600 0.044 0.000 1.003 259 E CA -1.217 55.214 56.400 0.052 0.000 0.801 259 E CB 2.362 32.100 29.700 0.063 0.000 1.313 259 E HN 0.890 nan 8.360 nan 0.000 0.459 260 A N 0.868 123.701 122.820 0.022 0.000 2.511 260 A HA 0.372 4.692 4.320 -0.000 0.000 0.242 260 A C 1.151 178.730 177.584 -0.008 0.000 1.069 260 A CA 0.792 52.824 52.037 -0.009 0.000 0.763 260 A CB 0.332 19.324 19.000 -0.014 0.000 1.001 260 A HN 0.750 nan 8.150 nan 0.000 0.498 261 A N 2.086 124.850 122.820 -0.094 0.000 1.986 261 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 261 A C 1.917 179.491 177.584 -0.017 0.000 1.171 261 A CA 2.137 54.089 52.037 -0.142 0.000 0.640 261 A CB -0.697 17.851 19.000 -0.754 0.000 0.811 261 A HN 1.765 nan 8.150 nan 0.000 0.451 262 S N -0.870 114.805 115.700 -0.041 0.000 2.582 262 S HA 0.470 4.940 4.470 -0.000 0.000 0.249 262 S C 0.761 175.373 174.600 0.020 0.000 1.072 262 S CA 0.367 58.568 58.200 0.002 0.000 1.115 262 S CB -1.134 62.055 63.200 -0.019 0.000 0.790 262 S HN 2.012 nan 8.310 nan 0.000 0.459 263 G N -0.308 108.514 108.800 0.038 0.000 2.750 263 G HA2 0.401 4.361 3.960 -0.000 0.000 0.686 263 G HA3 0.401 4.361 3.960 -0.000 0.000 0.686 263 G C 0.313 175.227 174.900 0.024 0.000 1.395 263 G CA -0.512 44.610 45.100 0.037 0.000 0.918 263 G HN 2.108 nan 8.290 nan 0.000 0.594 264 G N 0.577 109.392 108.800 0.026 0.000 2.685 264 G HA2 0.336 4.296 3.960 -0.000 0.000 0.387 264 G HA3 0.336 4.296 3.960 -0.000 0.000 0.387 264 G C 0.297 175.208 174.900 0.018 0.000 1.324 264 G CA 0.337 45.448 45.100 0.019 0.000 0.878 264 G HN 2.053 nan 8.290 nan 0.000 0.527 265 K N -1.569 118.839 120.400 0.014 0.000 3.451 265 K HA -0.031 4.289 4.320 -0.000 0.000 0.273 265 K C 0.738 177.348 176.600 0.017 0.000 0.944 265 K CA 0.755 57.050 56.287 0.013 0.000 0.734 265 K CB -1.518 30.987 32.500 0.009 0.000 1.437 265 K HN 2.009 nan 8.250 nan 0.000 0.454 266 A N 1.978 124.809 122.820 0.018 0.000 2.409 266 A HA 0.371 4.691 4.320 -0.000 0.000 0.262 266 A C 0.180 177.773 177.584 0.016 0.000 1.113 266 A CA 0.099 52.148 52.037 0.021 0.000 0.790 266 A CB 0.423 19.436 19.000 0.022 0.000 1.046 266 A HN 0.431 nan 8.150 nan 0.000 0.496 267 E N 0.492 120.701 120.200 0.016 0.000 2.449 267 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 267 E C -1.678 174.927 176.600 0.008 0.000 0.992 267 E CA -0.920 55.487 56.400 0.010 0.000 0.807 267 E CB 2.254 31.959 29.700 0.009 0.000 1.350 267 E HN 0.346 nan 8.360 nan 0.000 0.462 268 V N 1.872 121.787 119.914 0.002 0.000 2.588 268 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 268 V C -0.608 175.480 176.094 -0.009 0.000 1.042 268 V CA -0.594 61.704 62.300 -0.003 0.000 0.877 268 V CB 1.485 33.306 31.823 -0.004 0.000 0.996 268 V HN 0.498 nan 8.190 nan 0.000 0.425 269 I N 2.998 123.558 120.570 -0.015 0.000 2.493 269 I HA 0.534 4.704 4.170 -0.000 0.000 0.298 269 I C -0.004 176.095 176.117 -0.029 0.000 0.998 269 I CA -0.288 61.000 61.300 -0.021 0.000 1.137 269 I CB 2.383 40.369 38.000 -0.025 0.000 1.310 269 I HN 0.515 nan 8.210 nan 0.000 0.445 270 T N 4.446 118.982 114.554 -0.030 0.000 2.823 270 T HA 0.585 4.935 4.350 -0.000 0.000 0.279 270 T C -0.509 174.164 174.700 -0.045 0.000 0.998 270 T CA -0.511 61.568 62.100 -0.036 0.000 0.994 270 T CB 1.249 70.100 68.868 -0.030 0.000 0.960 270 T HN 0.830 nan 8.240 nan 0.000 0.448 271 C N 0.941 120.208 119.300 -0.055 0.000 3.291 271 C HA 0.610 5.070 4.460 -0.000 0.000 0.316 271 C C 0.649 175.594 174.990 -0.075 0.000 1.391 271 C CA -0.804 58.174 59.018 -0.068 0.000 1.394 271 C CB 1.166 28.858 27.740 -0.079 0.000 1.744 271 C HN 0.817 nan 8.230 nan 0.000 0.461 272 D N 0.104 120.450 120.400 -0.090 0.000 2.240 272 D HA 0.132 4.772 4.640 -0.000 0.000 0.206 272 D C 0.192 176.419 176.300 -0.122 0.000 0.963 272 D CA 1.370 55.310 54.000 -0.099 0.000 0.863 272 D CB 0.725 41.462 40.800 -0.105 0.000 0.973 272 D HN 0.432 nan 8.370 nan 0.000 0.501 273 V N 1.649 121.476 119.914 -0.145 0.000 2.686 273 V HA 0.270 4.390 4.120 -0.000 0.000 0.306 273 V C -0.997 175.010 176.094 -0.145 0.000 1.065 273 V CA -0.903 61.296 62.300 -0.168 0.000 0.894 273 V CB 2.863 34.534 31.823 -0.254 0.000 1.004 273 V HN -0.062 nan 8.190 nan 0.000 0.424 274 L N 5.839 126.987 121.223 -0.125 0.000 2.298 274 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 274 L C -0.931 175.880 176.870 -0.099 0.000 1.013 274 L CA -0.357 54.418 54.840 -0.109 0.000 0.824 274 L CB 1.359 43.355 42.059 -0.103 0.000 1.221 274 L HN 0.635 nan 8.230 nan 0.000 0.418 275 L N 6.867 128.040 121.223 -0.083 0.000 2.265 275 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 275 L C -0.973 175.881 176.870 -0.027 0.000 1.033 275 L CA -0.119 54.693 54.840 -0.048 0.000 0.814 275 L CB 1.400 43.445 42.059 -0.023 0.000 1.203 275 L HN 0.394 nan 8.230 nan 0.000 0.423 276 V N 5.323 125.227 119.914 -0.016 0.000 2.318 276 V HA 0.299 4.419 4.120 -0.000 0.000 0.271 276 V C -0.073 176.054 176.094 0.056 0.000 1.030 276 V CA -0.403 61.898 62.300 0.001 0.000 0.844 276 V CB 0.606 32.431 31.823 0.004 0.000 1.015 276 V HN 0.977 nan 8.190 nan 0.000 0.460 277 C N 4.010 123.358 119.300 0.080 0.000 3.498 277 C HA 0.489 4.949 4.460 -0.000 0.000 0.218 277 C C 0.979 176.043 174.990 0.124 0.000 1.284 277 C CA -0.735 58.344 59.018 0.102 0.000 1.343 277 C CB -1.176 26.625 27.740 0.102 0.000 1.825 277 C HN 0.772 nan 8.230 nan 0.000 0.518 278 I N -0.163 120.495 120.570 0.148 0.000 3.251 278 I HA 0.602 4.772 4.170 -0.000 0.000 0.277 278 I C 1.021 177.208 176.117 0.117 0.000 1.268 278 I CA 0.466 61.861 61.300 0.158 0.000 1.449 278 I CB -1.000 37.136 38.000 0.227 0.000 1.083 278 I HN 0.946 nan 8.210 nan 0.000 0.464 279 G N 0.108 108.970 108.800 0.104 0.000 2.341 279 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 279 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 279 G C -1.331 173.614 174.900 0.075 0.000 1.298 279 G CA -1.184 43.967 45.100 0.085 0.000 0.868 279 G HN 0.162 nan 8.290 nan 0.000 0.540 280 R N -0.554 119.985 120.500 0.066 0.000 2.837 280 R HA 0.782 5.122 4.340 -0.000 0.000 0.271 280 R C -0.190 176.146 176.300 0.059 0.000 0.993 280 R CA -1.012 55.125 56.100 0.062 0.000 0.931 280 R CB 2.612 32.947 30.300 0.057 0.000 1.206 280 R HN 0.859 nan 8.270 nan 0.000 0.474 281 R N 0.505 121.046 120.500 0.068 0.000 2.771 281 R HA 0.526 4.866 4.340 -0.000 0.000 0.274 281 R C -2.931 173.427 176.300 0.097 0.000 0.987 281 R CA -2.175 53.967 56.100 0.070 0.000 0.908 281 R CB 1.885 32.224 30.300 0.065 0.000 1.213 281 R HN 0.294 nan 8.270 nan 0.000 0.468 282 P HA -0.050 nan 4.420 nan 0.000 0.266 282 P C -1.183 176.214 177.300 0.162 0.000 1.195 282 P CA 0.144 63.306 63.100 0.103 0.000 0.768 282 P CB 0.310 32.044 31.700 0.057 0.000 0.838 283 F N 3.518 123.480 119.950 0.021 0.000 2.402 283 F HA 0.405 4.932 4.527 -0.000 0.000 0.355 283 F C 0.489 176.305 175.800 0.028 0.000 1.123 283 F CA -0.127 57.889 58.000 0.026 0.000 1.021 283 F CB 1.282 40.295 39.000 0.022 0.000 1.160 283 F HN 0.328 nan 8.300 nan 0.000 0.451 284 T N 1.166 115.400 114.554 -0.533 0.000 3.475 284 T HA 0.211 4.561 4.350 -0.000 0.000 0.310 284 T C 0.006 174.425 174.700 -0.470 0.000 0.963 284 T CA -0.622 61.248 62.100 -0.383 0.000 0.985 284 T CB -0.394 68.377 68.868 -0.160 0.000 1.198 284 T HN 0.412 nan 8.240 nan 0.000 0.508 285 K N 2.801 122.666 120.400 -0.891 0.000 2.484 285 K HA 0.157 4.477 4.320 -0.000 0.000 0.280 285 K C 0.388 176.919 176.600 -0.115 0.000 1.013 285 K CA 0.297 56.308 56.287 -0.460 0.000 1.029 285 K CB -0.090 32.145 32.500 -0.441 0.000 0.902 285 K HN 0.201 nan 8.250 nan 0.000 0.481 286 N N 2.546 121.215 118.700 -0.051 0.000 2.716 286 N HA -0.237 4.503 4.740 -0.000 0.000 0.250 286 N C -0.006 175.563 175.510 0.099 0.000 1.033 286 N CA 0.713 53.767 53.050 0.006 0.000 0.727 286 N CB -0.771 37.677 38.487 -0.065 0.000 0.950 286 N HN 0.457 nan 8.380 nan 0.000 0.541 287 L N -0.752 120.496 121.223 0.043 0.000 2.529 287 L HA 0.273 4.613 4.340 -0.000 0.000 0.223 287 L C 1.605 178.496 176.870 0.035 0.000 1.113 287 L CA 1.756 56.630 54.840 0.057 0.000 0.861 287 L CB -0.207 41.849 42.059 -0.005 0.000 1.012 287 L HN 0.508 nan 8.230 nan 0.000 0.461 288 G N -1.165 107.643 108.800 0.013 0.000 2.131 288 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.223 288 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.223 288 G C 0.993 175.891 174.900 -0.003 0.000 0.990 288 G CA 0.477 45.580 45.100 0.006 0.000 0.671 288 G HN 0.344 nan 8.290 nan 0.000 0.521 289 L N -0.323 120.893 121.223 -0.012 0.000 2.027 289 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 289 L C 2.641 179.501 176.870 -0.017 0.000 1.074 289 L CA 2.161 56.992 54.840 -0.016 0.000 0.745 289 L CB -0.348 41.697 42.059 -0.024 0.000 0.898 289 L HN 0.442 nan 8.230 nan 0.000 0.433 290 E N 0.563 120.751 120.200 -0.020 0.000 2.110 290 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 290 E C 1.972 178.563 176.600 -0.015 0.000 0.988 290 E CA 1.390 57.779 56.400 -0.019 0.000 0.804 290 E CB 0.068 29.756 29.700 -0.021 0.000 0.745 290 E HN 0.305 nan 8.360 nan 0.000 0.458 291 E N -0.098 120.095 120.200 -0.012 0.000 2.072 291 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 291 E C 1.734 178.329 176.600 -0.009 0.000 0.982 291 E CA 0.736 57.130 56.400 -0.010 0.000 0.803 291 E CB -0.442 29.253 29.700 -0.007 0.000 0.755 291 E HN 0.340 nan 8.360 nan 0.000 0.453 292 L N -0.381 120.836 121.223 -0.009 0.000 2.353 292 L HA 0.103 4.443 4.340 -0.000 0.000 0.220 292 L C 1.558 178.420 176.870 -0.013 0.000 1.133 292 L CA 1.707 56.541 54.840 -0.009 0.000 0.798 292 L CB -0.409 41.646 42.059 -0.008 0.000 0.922 292 L HN 0.440 nan 8.230 nan 0.000 0.445 293 G N -0.974 107.817 108.800 -0.014 0.000 2.157 293 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.239 293 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.239 293 G C 0.428 175.316 174.900 -0.019 0.000 0.982 293 G CA 0.133 45.224 45.100 -0.016 0.000 0.650 293 G HN 0.297 nan 8.290 nan 0.000 0.527 294 I N 1.452 122.010 120.570 -0.020 0.000 2.322 294 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 294 I C 0.582 176.687 176.117 -0.022 0.000 1.060 294 I CA -0.432 60.855 61.300 -0.022 0.000 1.309 294 I CB 0.931 38.918 38.000 -0.021 0.000 1.415 294 I HN 0.079 nan 8.210 nan 0.000 0.492 295 E N 5.811 125.997 120.200 -0.022 0.000 2.331 295 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 295 E C -0.714 175.873 176.600 -0.022 0.000 1.036 295 E CA -0.302 56.085 56.400 -0.021 0.000 0.864 295 E CB 1.057 30.745 29.700 -0.021 0.000 1.035 295 E HN 0.422 nan 8.360 nan 0.000 0.408 296 L N 2.742 123.952 121.223 -0.021 0.000 2.379 296 L HA 0.306 4.646 4.340 -0.000 0.000 0.269 296 L C 0.295 177.154 176.870 -0.019 0.000 1.084 296 L CA -0.980 53.848 54.840 -0.020 0.000 0.802 296 L CB 0.892 42.938 42.059 -0.021 0.000 1.175 296 L HN 0.663 nan 8.230 nan 0.000 0.448 297 D N 1.285 121.675 120.400 -0.017 0.000 2.411 297 D HA 0.143 4.783 4.640 -0.000 0.000 0.251 297 D C -2.054 174.237 176.300 -0.015 0.000 1.201 297 D CA -1.849 52.141 54.000 -0.018 0.000 0.996 297 D CB 0.190 40.978 40.800 -0.019 0.000 1.101 297 D HN 0.151 nan 8.370 nan 0.000 0.504 298 P HA -0.037 nan 4.420 nan 0.000 0.221 298 P C 0.748 178.041 177.300 -0.012 0.000 1.145 298 P CA 1.157 64.248 63.100 -0.014 0.000 0.795 298 P CB 0.154 31.845 31.700 -0.015 0.000 0.775 299 R N -1.961 118.533 120.500 -0.010 0.000 2.359 299 R HA 0.321 4.661 4.340 -0.000 0.000 0.231 299 R C 1.185 177.485 176.300 -0.000 0.000 0.913 299 R CA 0.590 56.687 56.100 -0.005 0.000 1.075 299 R CB -0.170 30.128 30.300 -0.003 0.000 1.087 299 R HN 0.119 nan 8.270 nan 0.000 0.515 300 G N 1.321 110.119 108.800 -0.004 0.000 2.176 300 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 300 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 300 G C 0.097 174.996 174.900 -0.001 0.000 0.979 300 G CA -0.184 44.914 45.100 -0.003 0.000 0.641 300 G HN 0.263 nan 8.290 nan 0.000 0.530 301 R N -0.420 120.080 120.500 -0.000 0.000 2.560 301 R HA 0.626 4.966 4.340 -0.000 0.000 0.270 301 R C 0.589 176.888 176.300 -0.001 0.000 1.074 301 R CA -0.568 55.535 56.100 0.004 0.000 1.140 301 R CB 0.793 31.095 30.300 0.002 0.000 1.073 301 R HN 0.257 nan 8.270 nan 0.000 0.527 302 I N 3.526 124.101 120.570 0.009 0.000 2.337 302 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 302 I C -1.996 174.121 176.117 -0.000 0.000 1.046 302 I CA -2.168 59.135 61.300 0.005 0.000 1.324 302 I CB 1.148 39.160 38.000 0.020 0.000 1.409 302 I HN 0.210 nan 8.210 nan 0.000 0.494 303 P HA 0.056 nan 4.420 nan 0.000 0.267 303 P C -0.866 176.411 177.300 -0.038 0.000 1.209 303 P CA 0.053 63.135 63.100 -0.031 0.000 0.763 303 P CB 0.550 32.230 31.700 -0.034 0.000 0.816 304 V N 0.576 120.455 119.914 -0.058 0.000 3.007 304 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 304 V C -0.076 175.929 176.094 -0.150 0.000 1.120 304 V CA -1.149 61.101 62.300 -0.083 0.000 0.980 304 V CB 2.094 33.893 31.823 -0.039 0.000 1.033 304 V HN 0.488 nan 8.190 nan 0.000 0.429 305 N N 0.520 119.125 118.700 -0.158 0.000 2.514 305 N HA 0.267 5.007 4.740 -0.000 0.000 0.299 305 N C 0.913 176.266 175.510 -0.261 0.000 1.292 305 N CA 0.304 53.255 53.050 -0.165 0.000 0.963 305 N CB -0.361 38.062 38.487 -0.108 0.000 1.124 305 N HN 0.619 nan 8.380 nan 0.000 0.580 306 T N -0.329 114.119 114.554 -0.176 0.000 2.822 306 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 306 T C 1.132 175.748 174.700 -0.140 0.000 1.064 306 T CA 1.341 63.340 62.100 -0.168 0.000 1.131 306 T CB -0.249 68.587 68.868 -0.053 0.000 0.858 306 T HN 0.432 nan 8.240 nan 0.000 0.483 307 R N -0.392 120.086 120.500 -0.036 0.000 2.427 307 R HA 0.306 4.646 4.340 -0.000 0.000 0.262 307 R C -0.242 176.305 176.300 0.411 0.000 0.943 307 R CA -0.242 55.978 56.100 0.199 0.000 1.081 307 R CB 0.063 30.486 30.300 0.205 0.000 1.166 307 R HN 0.257 nan 8.270 nan 0.000 0.534 308 F N 0.257 120.279 119.950 0.120 0.000 3.018 308 F HA -0.272 4.255 4.527 -0.000 0.000 0.287 308 F C -0.129 175.726 175.800 0.091 0.000 0.813 308 F CA 0.557 58.638 58.000 0.135 0.000 1.209 308 F CB -1.982 37.127 39.000 0.182 0.000 1.321 308 F HN 0.163 nan 8.300 nan 0.000 0.477 309 Q N 0.141 119.922 119.800 -0.032 0.000 2.243 309 Q HA 0.521 4.861 4.340 -0.000 0.000 0.252 309 Q C 0.880 176.778 176.000 -0.170 0.000 0.909 309 Q CA -0.029 55.586 55.803 -0.312 0.000 0.922 309 Q CB 1.699 30.184 28.738 -0.422 0.000 1.215 309 Q HN 0.353 nan 8.270 nan 0.000 0.427 310 T N -1.436 113.021 114.554 -0.162 0.000 2.771 310 T HA 0.168 4.518 4.350 -0.000 0.000 0.290 310 T C 0.961 175.598 174.700 -0.106 0.000 1.005 310 T CA -0.564 61.480 62.100 -0.092 0.000 0.944 310 T CB 0.587 69.419 68.868 -0.060 0.000 1.147 310 T HN 0.527 nan 8.240 nan 0.000 0.534 311 K N -0.484 119.872 120.400 -0.073 0.000 2.281 311 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 311 K C 0.288 176.845 176.600 -0.072 0.000 1.046 311 K CA 0.928 57.176 56.287 -0.066 0.000 0.938 311 K CB -0.430 32.042 32.500 -0.047 0.000 0.737 311 K HN 0.534 nan 8.250 nan 0.000 0.458 312 I N 1.602 122.124 120.570 -0.080 0.000 2.306 312 I HA 0.077 4.247 4.170 -0.000 0.000 0.288 312 I C -1.837 174.204 176.117 -0.127 0.000 1.036 312 I CA -2.313 58.941 61.300 -0.077 0.000 1.221 312 I CB 1.439 39.407 38.000 -0.052 0.000 1.385 312 I HN -0.158 nan 8.210 nan 0.000 0.472 313 P HA -0.268 nan 4.420 nan 0.000 0.222 313 P C 0.841 177.992 177.300 -0.249 0.000 1.155 313 P CA 1.591 64.587 63.100 -0.173 0.000 0.890 313 P CB -0.065 31.584 31.700 -0.085 0.000 0.790 314 N N -1.231 117.396 118.700 -0.121 0.000 2.280 314 N HA 0.009 4.749 4.740 -0.000 0.000 0.192 314 N C 0.093 175.630 175.510 0.044 0.000 1.109 314 N CA 0.203 53.254 53.050 0.003 0.000 0.855 314 N CB -0.098 38.424 38.487 0.059 0.000 0.974 314 N HN 0.202 nan 8.380 nan 0.000 0.482 315 I N 1.639 122.147 120.570 -0.102 0.000 2.330 315 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 315 I C -0.761 175.305 176.117 -0.085 0.000 1.001 315 I CA -0.823 60.477 61.300 0.001 0.000 1.193 315 I CB 0.473 38.465 38.000 -0.012 0.000 1.345 315 I HN -0.162 nan 8.210 nan 0.000 0.461 316 Y N 4.468 124.775 120.300 0.011 0.000 2.602 316 Y HA 0.825 5.375 4.550 -0.000 0.000 0.330 316 Y C 0.301 176.231 175.900 0.050 0.000 1.114 316 Y CA -1.084 57.044 58.100 0.046 0.000 1.182 316 Y CB 1.735 40.221 38.460 0.044 0.000 1.305 316 Y HN 0.553 nan 8.280 nan 0.000 0.502 317 A N 1.464 124.448 122.820 0.274 0.000 2.517 317 A HA 0.827 5.147 4.320 -0.000 0.000 0.297 317 A C -1.294 176.428 177.584 0.230 0.000 1.050 317 A CA -0.517 51.630 52.037 0.184 0.000 0.694 317 A CB 0.888 19.966 19.000 0.130 0.000 1.277 317 A HN 0.767 nan 8.150 nan 0.000 0.400 318 I N -1.162 119.478 120.570 0.117 0.000 3.354 318 I HA 0.984 5.154 4.170 -0.000 0.000 0.316 318 I C 0.611 176.755 176.117 0.044 0.000 1.182 318 I CA -0.348 60.985 61.300 0.055 0.000 0.942 318 I CB 1.628 39.542 38.000 -0.143 0.000 1.299 318 I HN 2.131 nan 8.210 nan 0.000 0.473 319 G N 1.460 110.273 108.800 0.021 0.000 2.593 319 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.237 319 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.237 319 G C -0.021 174.904 174.900 0.041 0.000 1.312 319 G CA 0.591 45.703 45.100 0.019 0.000 0.896 319 G HN 0.876 nan 8.290 nan 0.000 0.574 320 D N -0.709 119.710 120.400 0.032 0.000 2.354 320 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 320 D C 2.278 178.608 176.300 0.051 0.000 0.970 320 D CA 1.149 55.172 54.000 0.038 0.000 0.905 320 D CB 0.065 40.889 40.800 0.041 0.000 0.903 320 D HN 0.428 nan 8.370 nan 0.000 0.508 321 V N 0.009 119.960 119.914 0.060 0.000 3.306 321 V HA 0.004 4.124 4.120 -0.000 0.000 0.264 321 V C 0.753 176.880 176.094 0.056 0.000 1.149 321 V CA 0.395 62.731 62.300 0.061 0.000 1.143 321 V CB 0.178 32.039 31.823 0.064 0.000 0.767 321 V HN 0.038 nan 8.190 nan 0.000 0.476 322 V N -2.287 117.668 119.914 0.068 0.000 3.204 322 V HA 0.919 5.039 4.120 -0.000 0.000 0.316 322 V C 0.322 176.431 176.094 0.025 0.000 1.160 322 V CA -0.832 61.508 62.300 0.066 0.000 1.044 322 V CB 1.094 33.004 31.823 0.144 0.000 1.136 322 V HN 0.156 nan 8.190 nan 0.000 0.455 323 A N 0.080 122.889 122.820 -0.018 0.000 2.492 323 A HA 0.643 4.963 4.320 -0.000 0.000 0.236 323 A C 0.919 178.398 177.584 -0.174 0.000 1.078 323 A CA 0.815 52.797 52.037 -0.092 0.000 0.773 323 A CB -0.798 18.126 19.000 -0.127 0.000 1.023 323 A HN 2.981 nan 8.150 nan 0.000 0.504 324 G N 0.487 109.149 108.800 -0.230 0.000 2.497 324 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 324 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 324 G C -2.954 171.877 174.900 -0.116 0.000 1.288 324 G CA -0.414 44.495 45.100 -0.318 0.000 0.899 324 G HN 1.005 nan 8.290 nan 0.000 0.608 325 P HA 0.277 nan 4.420 nan 0.000 0.267 325 P C 0.245 177.531 177.300 -0.024 0.000 1.205 325 P CA 0.037 63.130 63.100 -0.012 0.000 0.765 325 P CB 0.405 32.113 31.700 0.013 0.000 0.828 326 M N 4.165 123.759 119.600 -0.011 0.000 3.042 326 M HA 0.215 4.695 4.480 -0.000 0.000 0.283 326 M C -0.135 176.138 176.300 -0.045 0.000 1.473 326 M CA 0.519 55.810 55.300 -0.014 0.000 1.583 326 M CB -0.706 31.902 32.600 0.013 0.000 1.221 326 M HN 0.214 nan 8.290 nan 0.000 0.518 327 L N -0.023 121.131 121.223 -0.115 0.000 2.371 327 L HA 0.629 4.969 4.340 -0.000 0.000 0.262 327 L C 1.006 177.727 176.870 -0.248 0.000 1.006 327 L CA -0.636 54.069 54.840 -0.226 0.000 0.818 327 L CB 1.860 43.639 42.059 -0.466 0.000 1.354 327 L HN 0.551 nan 8.230 nan 0.000 0.415 328 A N 0.450 123.165 122.820 -0.175 0.000 1.902 328 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 328 A C 1.981 179.522 177.584 -0.071 0.000 1.181 328 A CA 1.713 53.710 52.037 -0.067 0.000 0.623 328 A CB -0.836 18.186 19.000 0.036 0.000 0.818 328 A HN 0.942 nan 8.150 nan 0.000 0.443 329 H N -0.921 118.146 119.070 -0.004 0.000 2.423 329 H HA -0.041 4.515 4.556 -0.000 0.000 0.297 329 H C 1.767 177.081 175.328 -0.023 0.000 1.075 329 H CA 1.357 57.393 56.048 -0.021 0.000 1.342 329 H CB -0.389 29.360 29.762 -0.022 0.000 1.395 329 H HN 0.414 nan 8.280 nan 0.000 0.530 330 K N 1.918 122.169 120.400 -0.247 0.000 2.026 330 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 330 K C 2.354 178.925 176.600 -0.048 0.000 1.048 330 K CA 1.352 57.590 56.287 -0.082 0.000 0.929 330 K CB -0.392 32.063 32.500 -0.074 0.000 0.713 330 K HN 0.301 nan 8.250 nan 0.000 0.439 331 A N 1.546 124.322 122.820 -0.073 0.000 1.877 331 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 331 A C 2.041 179.562 177.584 -0.105 0.000 1.186 331 A CA 1.791 53.787 52.037 -0.069 0.000 0.620 331 A CB -0.512 18.458 19.000 -0.051 0.000 0.822 331 A HN 0.536 nan 8.150 nan 0.000 0.443 332 E N -0.588 119.554 120.200 -0.097 0.000 2.058 332 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 332 E C 1.725 178.247 176.600 -0.131 0.000 0.997 332 E CA 1.179 57.501 56.400 -0.131 0.000 0.801 332 E CB -0.208 29.430 29.700 -0.104 0.000 0.746 332 E HN 0.556 nan 8.360 nan 0.000 0.450 333 D N 0.672 121.014 120.400 -0.097 0.000 2.097 333 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 333 D C 1.751 177.942 176.300 -0.183 0.000 0.989 333 D CA 1.087 55.023 54.000 -0.107 0.000 0.827 333 D CB 0.044 40.801 40.800 -0.072 0.000 0.966 333 D HN 0.195 nan 8.370 nan 0.000 0.456 334 E N -0.342 119.718 120.200 -0.233 0.000 2.077 334 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 334 E C 2.145 178.455 176.600 -0.484 0.000 0.989 334 E CA 0.984 57.092 56.400 -0.488 0.000 0.800 334 E CB -0.294 29.113 29.700 -0.489 0.000 0.746 334 E HN 0.324 nan 8.360 nan 0.000 0.452 335 G N 1.481 110.098 108.800 -0.305 0.000 2.446 335 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 335 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 335 G C 1.607 176.377 174.900 -0.217 0.000 1.168 335 G CA 0.731 45.682 45.100 -0.247 0.000 0.771 335 G HN 0.116 nan 8.290 nan 0.000 0.551 336 I N 1.484 121.945 120.570 -0.183 0.000 2.142 336 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 336 I C 2.803 178.851 176.117 -0.115 0.000 1.078 336 I CA 1.473 62.695 61.300 -0.130 0.000 1.343 336 I CB -0.321 37.618 38.000 -0.102 0.000 1.046 336 I HN 0.337 nan 8.210 nan 0.000 0.405 337 I N -1.403 119.088 120.570 -0.132 0.000 2.493 337 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 337 I C 2.797 178.876 176.117 -0.064 0.000 1.160 337 I CA 1.173 62.430 61.300 -0.073 0.000 1.445 337 I CB -0.780 37.197 38.000 -0.039 0.000 1.086 337 I HN 0.332 nan 8.210 nan 0.000 0.433 338 C N 1.798 120.992 119.300 -0.175 0.000 2.462 338 C HA -0.098 4.362 4.460 -0.000 0.000 0.278 338 C C 3.000 177.882 174.990 -0.179 0.000 1.253 338 C CA 1.377 60.310 59.018 -0.141 0.000 1.713 338 C CB -0.988 26.595 27.740 -0.262 0.000 2.049 338 C HN 0.611 nan 8.230 nan 0.000 0.477 339 V N -0.442 119.356 119.914 -0.194 0.000 2.548 339 V HA -0.099 4.021 4.120 -0.000 0.000 0.249 339 V C 2.186 178.275 176.094 -0.009 0.000 1.055 339 V CA 2.376 64.573 62.300 -0.173 0.000 1.065 339 V CB -1.143 30.596 31.823 -0.141 0.000 0.681 339 V HN 0.635 nan 8.190 nan 0.000 0.462 340 E N 1.262 121.461 120.200 -0.000 0.000 2.153 340 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 340 E C 2.270 178.908 176.600 0.064 0.000 0.988 340 E CA 1.274 57.700 56.400 0.043 0.000 0.811 340 E CB -0.520 29.192 29.700 0.019 0.000 0.746 340 E HN 0.746 nan 8.360 nan 0.000 0.466 341 G N 0.689 109.520 108.800 0.050 0.000 2.403 341 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 341 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 341 G C 1.520 176.479 174.900 0.098 0.000 1.154 341 G CA 0.372 45.525 45.100 0.088 0.000 0.784 341 G HN 0.096 nan 8.290 nan 0.000 0.538 342 M N 0.901 120.514 119.600 0.021 0.000 2.149 342 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 342 M C 2.666 179.122 176.300 0.259 0.000 1.064 342 M CA 1.374 56.689 55.300 0.024 0.000 1.102 342 M CB -0.092 32.331 32.600 -0.295 0.000 1.369 342 M HN 0.299 nan 8.290 nan 0.000 0.408 343 A N -0.523 122.482 122.820 0.309 0.000 2.259 343 A HA 0.363 4.683 4.320 -0.000 0.000 0.208 343 A C 1.570 179.216 177.584 0.104 0.000 1.201 343 A CA 0.783 52.960 52.037 0.233 0.000 0.824 343 A CB -0.875 18.201 19.000 0.126 0.000 0.838 343 A HN 0.690 nan 8.150 nan 0.000 0.485 344 G N -2.090 106.777 108.800 0.112 0.000 2.175 344 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.244 344 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.244 344 G C 0.764 175.700 174.900 0.060 0.000 0.982 344 G CA 0.250 45.397 45.100 0.077 0.000 0.641 344 G HN 1.366 nan 8.290 nan 0.000 0.527 345 G N -0.002 108.834 108.800 0.060 0.000 2.580 345 G HA2 0.730 4.690 3.960 -0.000 0.000 0.278 345 G HA3 0.730 4.690 3.960 -0.000 0.000 0.278 345 G C 0.629 175.566 174.900 0.061 0.000 1.212 345 G CA 0.455 45.584 45.100 0.048 0.000 0.939 345 G HN 1.508 nan 8.290 nan 0.000 0.513 346 A N -1.260 121.592 122.820 0.053 0.000 2.386 346 A HA 0.528 4.848 4.320 -0.000 0.000 0.248 346 A C -0.258 177.383 177.584 0.095 0.000 1.082 346 A CA -0.173 51.905 52.037 0.068 0.000 0.789 346 A CB 0.753 19.782 19.000 0.049 0.000 1.025 346 A HN 0.925 nan 8.150 nan 0.000 0.490 347 V N 3.940 123.931 119.914 0.128 0.000 2.409 347 V HA 0.408 4.528 4.120 -0.000 0.000 0.290 347 V C -0.375 175.838 176.094 0.198 0.000 1.017 347 V CA -0.294 62.104 62.300 0.164 0.000 0.841 347 V CB 0.887 32.832 31.823 0.204 0.000 1.003 347 V HN 0.970 nan 8.190 nan 0.000 0.426 348 H N 5.253 124.362 119.070 0.065 0.000 2.954 348 H HA 0.675 5.231 4.556 -0.000 0.000 0.361 348 H C -1.903 173.422 175.328 -0.004 0.000 1.122 348 H CA -0.526 55.541 56.048 0.033 0.000 1.217 348 H CB 2.577 32.341 29.762 0.003 0.000 1.776 348 H HN 0.669 nan 8.280 nan 0.000 0.533 349 I N 4.292 124.492 120.570 -0.617 0.000 2.649 349 I HA 0.134 4.304 4.170 -0.000 0.000 0.289 349 I C -1.659 174.071 176.117 -0.645 0.000 1.222 349 I CA -0.570 60.436 61.300 -0.490 0.000 1.046 349 I CB 1.915 39.665 38.000 -0.418 0.000 1.272 349 I HN 0.500 nan 8.210 nan 0.000 0.425 350 D N 6.310 126.469 120.400 -0.401 0.000 2.427 350 D HA 0.215 4.855 4.640 -0.000 0.000 0.226 350 D C 0.191 176.370 176.300 -0.202 0.000 1.076 350 D CA -0.025 53.849 54.000 -0.211 0.000 0.849 350 D CB 0.729 41.528 40.800 -0.003 0.000 1.052 350 D HN 0.432 nan 8.370 nan 0.000 0.515 351 Y N 2.449 122.749 120.300 -0.001 0.000 2.497 351 Y HA -0.103 4.447 4.550 -0.000 0.000 0.292 351 Y C 2.083 178.004 175.900 0.035 0.000 1.137 351 Y CA 0.661 58.773 58.100 0.021 0.000 1.285 351 Y CB -0.290 38.183 38.460 0.022 0.000 0.991 351 Y HN 0.406 nan 8.280 nan 0.000 0.556 352 N N -0.769 118.018 118.700 0.146 0.000 2.512 352 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 352 N C 0.695 176.254 175.510 0.081 0.000 1.073 352 N CA 1.007 54.126 53.050 0.115 0.000 0.911 352 N CB -0.223 38.322 38.487 0.096 0.000 0.964 352 N HN 0.202 nan 8.380 nan 0.000 0.447 353 C N -0.010 119.321 119.300 0.052 0.000 2.974 353 C HA 0.378 4.838 4.460 -0.000 0.000 0.282 353 C C 0.622 175.624 174.990 0.020 0.000 1.292 353 C CA -0.848 58.188 59.018 0.030 0.000 1.710 353 C CB -1.259 26.492 27.740 0.017 0.000 2.036 353 C HN 0.280 nan 8.230 nan 0.000 0.629 354 V N 2.208 122.151 119.914 0.047 0.000 2.407 354 V HA 0.571 4.691 4.120 -0.000 0.000 0.278 354 V C -2.351 173.763 176.094 0.035 0.000 1.037 354 V CA -1.605 60.738 62.300 0.072 0.000 0.900 354 V CB 1.205 33.111 31.823 0.137 0.000 0.983 354 V HN 0.110 nan 8.190 nan 0.000 0.459 355 P HA 0.421 nan 4.420 nan 0.000 0.276 355 P C -0.584 176.608 177.300 -0.180 0.000 1.261 355 P CA -0.290 62.707 63.100 -0.171 0.000 0.800 355 P CB 1.397 32.959 31.700 -0.230 0.000 1.066 356 S N -0.486 114.886 115.700 -0.547 0.000 2.526 356 S HA 0.573 5.043 4.470 -0.000 0.000 0.293 356 S C -0.585 173.560 174.600 -0.758 0.000 1.092 356 S CA -0.560 57.218 58.200 -0.705 0.000 0.980 356 S CB 1.409 63.800 63.200 -1.349 0.000 1.048 356 S HN 0.261 nan 8.310 nan 0.000 0.483 357 V N 3.245 122.877 119.914 -0.472 0.000 2.841 357 V HA 0.566 4.686 4.120 -0.000 0.000 0.310 357 V C -1.003 174.904 176.094 -0.312 0.000 1.090 357 V CA -0.635 61.385 62.300 -0.466 0.000 0.930 357 V CB 1.885 33.348 31.823 -0.600 0.000 1.014 357 V HN 0.823 nan 8.190 nan 0.000 0.425 358 I N 3.651 124.047 120.570 -0.290 0.000 2.410 358 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 358 I C -0.723 175.317 176.117 -0.128 0.000 1.009 358 I CA -0.470 60.793 61.300 -0.062 0.000 1.111 358 I CB 1.670 39.663 38.000 -0.010 0.000 1.262 358 I HN 0.626 nan 8.210 nan 0.000 0.443 359 Y N 3.925 124.235 120.300 0.017 0.000 2.627 359 Y HA 0.045 4.595 4.550 -0.000 0.000 0.339 359 Y C 1.720 177.638 175.900 0.029 0.000 1.137 359 Y CA -0.512 57.588 58.100 0.001 0.000 1.361 359 Y CB -0.659 37.797 38.460 -0.007 0.000 1.180 359 Y HN 0.549 nan 8.280 nan 0.000 0.512 360 T N -2.803 111.866 114.554 0.193 0.000 2.773 360 T HA 0.130 4.480 4.350 -0.000 0.000 0.337 360 T C -0.517 174.255 174.700 0.120 0.000 1.086 360 T CA -0.423 61.808 62.100 0.218 0.000 0.998 360 T CB 0.752 69.855 68.868 0.391 0.000 1.281 360 T HN 0.391 nan 8.240 nan 0.000 0.525 361 H N 1.157 120.256 119.070 0.048 0.000 3.108 361 H HA 0.422 4.978 4.556 -0.000 0.000 0.329 361 H C -2.740 172.633 175.328 0.075 0.000 0.978 361 H CA -1.721 54.291 56.048 -0.060 0.000 1.413 361 H CB 1.352 30.918 29.762 -0.328 0.000 1.670 361 H HN 0.469 nan 8.280 nan 0.000 0.512 362 P HA 0.027 nan 4.420 nan 0.000 0.269 362 P C -0.439 176.774 177.300 -0.146 0.000 1.209 362 P CA -0.105 62.817 63.100 -0.297 0.000 0.776 362 P CB 1.581 33.206 31.700 -0.125 0.000 0.876 363 E N 0.234 120.271 120.200 -0.272 0.000 2.371 363 E HA 0.359 4.709 4.350 -0.000 0.000 0.257 363 E C -0.476 175.961 176.600 -0.272 0.000 1.134 363 E CA -0.753 55.505 56.400 -0.237 0.000 0.919 363 E CB 0.780 30.321 29.700 -0.266 0.000 1.025 363 E HN 0.218 nan 8.360 nan 0.000 0.438 364 V N 0.263 119.996 119.914 -0.303 0.000 2.760 364 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 364 V C -0.751 175.284 176.094 -0.098 0.000 1.077 364 V CA -0.818 61.350 62.300 -0.218 0.000 0.910 364 V CB 1.629 33.222 31.823 -0.383 0.000 1.008 364 V HN 0.784 nan 8.190 nan 0.000 0.424 365 A N 3.585 126.440 122.820 0.059 0.000 2.566 365 A HA 0.981 5.301 4.320 -0.000 0.000 0.297 365 A C -1.714 175.986 177.584 0.194 0.000 1.059 365 A CA -0.593 51.415 52.037 -0.049 0.000 0.691 365 A CB 1.637 20.525 19.000 -0.188 0.000 1.282 365 A HN 1.762 nan 8.150 nan 0.000 0.401 366 W N 0.034 121.269 121.300 -0.109 0.000 3.005 366 W HA 0.770 5.430 4.660 -0.000 0.000 0.343 366 W C -1.968 174.463 176.519 -0.148 0.000 1.243 366 W CA -1.109 56.138 57.345 -0.165 0.000 1.186 366 W CB 1.109 30.491 29.460 -0.130 0.000 1.453 366 W HN 1.124 nan 8.180 nan 0.000 0.575 367 V N 2.352 122.269 119.914 0.006 0.000 3.000 367 V HA 0.800 4.920 4.120 -0.000 0.000 0.300 367 V C 0.178 176.286 176.094 0.023 0.000 1.251 367 V CA 0.507 62.802 62.300 -0.007 0.000 0.972 367 V CB 1.290 33.086 31.823 -0.044 0.000 1.065 367 V HN 2.272 nan 8.190 nan 0.000 0.431 368 G N 5.331 114.179 108.800 0.081 0.000 2.545 368 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.216 368 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.216 368 G C -0.917 174.061 174.900 0.130 0.000 1.314 368 G CA -0.103 45.047 45.100 0.083 0.000 0.906 368 G HN 0.898 nan 8.290 nan 0.000 0.563 369 K N 0.765 121.231 120.400 0.109 0.000 2.118 369 K HA 0.610 4.930 4.320 -0.000 0.000 0.267 369 K C 0.875 177.587 176.600 0.186 0.000 0.991 369 K CA 0.192 56.545 56.287 0.111 0.000 0.916 369 K CB 1.482 34.001 32.500 0.030 0.000 1.041 369 K HN 1.066 nan 8.250 nan 0.000 0.455 370 S N 0.343 116.088 115.700 0.076 0.000 2.669 370 S HA 0.179 4.649 4.470 -0.000 0.000 0.270 370 S C 0.985 175.446 174.600 -0.232 0.000 1.225 370 S CA -0.567 57.559 58.200 -0.124 0.000 0.991 370 S CB 1.198 64.272 63.200 -0.210 0.000 0.987 370 S HN 0.540 nan 8.310 nan 0.000 0.552 371 E N 0.558 120.556 120.200 -0.337 0.000 2.110 371 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 371 E C 1.648 178.130 176.600 -0.198 0.000 0.988 371 E CA 1.374 57.562 56.400 -0.352 0.000 0.804 371 E CB -0.160 29.414 29.700 -0.210 0.000 0.745 371 E HN 0.705 nan 8.360 nan 0.000 0.458 372 E N 0.901 121.006 120.200 -0.158 0.000 2.110 372 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 372 E C 1.951 178.511 176.600 -0.066 0.000 0.988 372 E CA 1.020 57.364 56.400 -0.094 0.000 0.804 372 E CB -0.086 29.549 29.700 -0.109 0.000 0.745 372 E HN 0.272 nan 8.360 nan 0.000 0.458 373 Q N -0.129 119.623 119.800 -0.079 0.000 2.046 373 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 373 Q C 2.253 178.230 176.000 -0.037 0.000 0.975 373 Q CA 0.991 56.770 55.803 -0.041 0.000 0.836 373 Q CB -0.133 28.592 28.738 -0.022 0.000 0.896 373 Q HN 0.287 nan 8.270 nan 0.000 0.428 374 L N 0.566 121.732 121.223 -0.095 0.000 2.042 374 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 374 L C 2.275 179.175 176.870 0.049 0.000 1.076 374 L CA 1.376 56.174 54.840 -0.070 0.000 0.749 374 L CB -0.406 41.470 42.059 -0.304 0.000 0.893 374 L HN 0.158 nan 8.230 nan 0.000 0.432 375 K N 0.237 120.677 120.400 0.067 0.000 2.026 375 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 375 K C 2.011 178.647 176.600 0.060 0.000 1.048 375 K CA 1.768 58.123 56.287 0.114 0.000 0.929 375 K CB -0.148 32.415 32.500 0.104 0.000 0.713 375 K HN 0.484 nan 8.250 nan 0.000 0.439 376 E N 0.991 121.209 120.200 0.031 0.000 2.274 376 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 376 E C 1.185 177.802 176.600 0.028 0.000 0.996 376 E CA 1.033 57.447 56.400 0.024 0.000 0.840 376 E CB -0.024 29.684 29.700 0.013 0.000 0.772 376 E HN 0.361 nan 8.360 nan 0.000 0.491 377 E N 0.344 120.563 120.200 0.031 0.000 2.435 377 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 377 E C 0.831 177.456 176.600 0.042 0.000 1.029 377 E CA 0.345 56.766 56.400 0.034 0.000 0.865 377 E CB 0.254 29.974 29.700 0.033 0.000 0.833 377 E HN 0.519 nan 8.360 nan 0.000 0.510 378 G N 1.415 110.246 108.800 0.053 0.000 2.137 378 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.237 378 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.237 378 G C 0.091 175.033 174.900 0.069 0.000 1.002 378 G CA -0.259 44.873 45.100 0.054 0.000 0.702 378 G HN 0.111 nan 8.290 nan 0.000 0.515 379 I N 0.586 121.215 120.570 0.099 0.000 2.395 379 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 379 I C 0.568 176.801 176.117 0.194 0.000 1.023 379 I CA -1.068 60.307 61.300 0.125 0.000 1.350 379 I CB 1.368 39.440 38.000 0.121 0.000 1.409 379 I HN 0.235 nan 8.210 nan 0.000 0.507 380 E N 6.690 126.967 120.200 0.128 0.000 2.200 380 E HA 0.411 4.761 4.350 -0.000 0.000 0.283 380 E C -1.254 175.423 176.600 0.127 0.000 1.015 380 E CA -0.147 56.290 56.400 0.062 0.000 0.819 380 E CB 0.630 30.334 29.700 0.006 0.000 1.081 380 E HN 0.384 nan 8.360 nan 0.000 0.397 381 Y N 1.258 121.561 120.300 0.006 0.000 2.677 381 Y HA 0.623 5.173 4.550 -0.000 0.000 0.334 381 Y C -1.033 174.869 175.900 0.003 0.000 1.154 381 Y CA -1.407 56.699 58.100 0.009 0.000 1.070 381 Y CB 0.928 39.398 38.460 0.015 0.000 1.294 381 Y HN 0.359 nan 8.280 nan 0.000 0.475 382 K N 0.537 121.029 120.400 0.154 0.000 2.395 382 K HA 0.849 5.169 4.320 -0.000 0.000 0.247 382 K C -1.885 174.828 176.600 0.190 0.000 0.973 382 K CA -1.072 55.251 56.287 0.059 0.000 0.828 382 K CB 2.670 35.184 32.500 0.025 0.000 1.272 382 K HN 0.529 nan 8.250 nan 0.000 0.439 383 V N 0.654 120.642 119.914 0.124 0.000 2.495 383 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 383 V C -0.038 176.103 176.094 0.079 0.000 1.031 383 V CA -0.653 61.727 62.300 0.134 0.000 0.871 383 V CB 1.689 33.591 31.823 0.132 0.000 0.988 383 V HN 0.962 nan 8.190 nan 0.000 0.432 384 G N 3.407 112.249 108.800 0.070 0.000 2.544 384 G HA2 0.693 4.653 3.960 -0.000 0.000 0.313 384 G HA3 0.693 4.653 3.960 -0.000 0.000 0.313 384 G C -0.950 173.983 174.900 0.055 0.000 1.316 384 G CA -0.609 44.525 45.100 0.057 0.000 0.944 384 G HN 0.611 nan 8.290 nan 0.000 0.489 385 K N 1.074 121.516 120.400 0.070 0.000 2.371 385 K HA 0.575 4.895 4.320 -0.000 0.000 0.251 385 K C -1.922 174.708 176.600 0.051 0.000 0.934 385 K CA -0.766 55.544 56.287 0.037 0.000 0.798 385 K CB 2.801 35.300 32.500 -0.000 0.000 1.204 385 K HN 0.402 nan 8.250 nan 0.000 0.427 386 F N 4.624 124.455 119.950 -0.198 0.000 2.617 386 F HA 0.338 4.865 4.527 -0.000 0.000 0.325 386 F C -2.518 173.011 175.800 -0.452 0.000 1.179 386 F CA -1.980 55.839 58.000 -0.301 0.000 0.965 386 F CB 1.699 40.557 39.000 -0.236 0.000 1.232 386 F HN 0.316 nan 8.300 nan 0.000 0.461 387 P HA 0.130 nan 4.420 nan 0.000 0.279 387 P C 0.387 177.394 177.300 -0.489 0.000 1.239 387 P CA -0.022 62.673 63.100 -0.675 0.000 0.789 387 P CB 0.900 32.121 31.700 -0.799 0.000 0.933 388 F N 1.927 121.829 119.950 -0.079 0.000 2.451 388 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 388 F C 2.542 178.346 175.800 0.007 0.000 1.101 388 F CA 1.494 59.518 58.000 0.040 0.000 1.436 388 F CB -1.100 37.927 39.000 0.044 0.000 1.074 388 F HN 0.359 nan 8.300 nan 0.000 0.553 389 A N -0.215 122.639 122.820 0.058 0.000 2.019 389 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 389 A C 2.201 179.799 177.584 0.023 0.000 1.164 389 A CA 1.538 53.596 52.037 0.035 0.000 0.644 389 A CB -0.890 18.096 19.000 -0.023 0.000 0.805 389 A HN 0.242 nan 8.150 nan 0.000 0.449 390 A N -0.692 122.075 122.820 -0.089 0.000 2.345 390 A HA 0.180 4.500 4.320 -0.000 0.000 0.225 390 A C 0.701 178.474 177.584 0.316 0.000 1.243 390 A CA -0.244 51.803 52.037 0.016 0.000 0.875 390 A CB -0.324 18.525 19.000 -0.251 0.000 0.929 390 A HN 0.493 nan 8.150 nan 0.000 0.502 391 N N 0.222 119.130 118.700 0.347 0.000 2.434 391 N HA 0.137 4.877 4.740 -0.000 0.000 0.272 391 N C 0.514 176.166 175.510 0.237 0.000 1.040 391 N CA 0.094 53.371 53.050 0.379 0.000 0.956 391 N CB 1.207 39.946 38.487 0.420 0.000 1.108 391 N HN 0.074 nan 8.380 nan 0.000 0.481 392 S N 3.493 119.302 115.700 0.180 0.000 2.359 392 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 392 S C 1.726 176.358 174.600 0.053 0.000 1.035 392 S CA 1.125 59.386 58.200 0.103 0.000 1.018 392 S CB -0.107 63.125 63.200 0.053 0.000 0.876 392 S HN 0.673 nan 8.310 nan 0.000 0.448 393 R N 0.912 121.431 120.500 0.032 0.000 2.075 393 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 393 R C 2.407 178.754 176.300 0.078 0.000 1.126 393 R CA 1.166 57.285 56.100 0.031 0.000 0.963 393 R CB -0.444 29.869 30.300 0.022 0.000 0.858 393 R HN 0.374 nan 8.270 nan 0.000 0.435 394 A N 1.180 124.081 122.820 0.135 0.000 1.877 394 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 394 A C 2.054 179.709 177.584 0.118 0.000 1.186 394 A CA 1.812 53.931 52.037 0.136 0.000 0.620 394 A CB -0.453 18.697 19.000 0.250 0.000 0.822 394 A HN 0.241 nan 8.150 nan 0.000 0.443 395 K N -0.477 119.999 120.400 0.126 0.000 2.026 395 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 395 K C 1.988 178.636 176.600 0.080 0.000 1.048 395 K CA 2.220 58.570 56.287 0.104 0.000 0.929 395 K CB -0.927 31.639 32.500 0.109 0.000 0.713 395 K HN 0.418 nan 8.250 nan 0.000 0.439 396 T N 1.056 115.652 114.554 0.069 0.000 2.803 396 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 396 T C 1.143 175.872 174.700 0.048 0.000 1.052 396 T CA 1.567 63.697 62.100 0.050 0.000 1.136 396 T CB -0.288 68.601 68.868 0.034 0.000 0.864 396 T HN 0.253 nan 8.240 nan 0.000 0.467 397 N N 0.680 119.415 118.700 0.059 0.000 2.412 397 N HA 0.326 5.066 4.740 -0.000 0.000 0.184 397 N C 0.898 176.455 175.510 0.078 0.000 1.101 397 N CA 0.629 53.718 53.050 0.065 0.000 0.881 397 N CB -0.029 38.503 38.487 0.075 0.000 0.969 397 N HN 0.400 nan 8.380 nan 0.000 0.459 398 A N 0.748 123.616 122.820 0.080 0.000 2.846 398 A HA -0.191 4.129 4.320 -0.000 0.000 0.287 398 A C -0.225 177.426 177.584 0.111 0.000 1.469 398 A CA 0.919 53.009 52.037 0.087 0.000 0.757 398 A CB -1.996 17.049 19.000 0.075 0.000 1.033 398 A HN 0.268 nan 8.150 nan 0.000 0.516 399 D N 0.026 120.494 120.400 0.113 0.000 2.405 399 D HA 0.445 5.085 4.640 -0.000 0.000 0.264 399 D C 0.879 177.226 176.300 0.078 0.000 1.240 399 D CA 0.546 54.623 54.000 0.130 0.000 0.893 399 D CB 0.217 41.109 40.800 0.154 0.000 1.198 399 D HN 0.575 nan 8.370 nan 0.000 0.514 400 T N -1.434 113.177 114.554 0.096 0.000 3.174 400 T HA 0.226 4.576 4.350 -0.000 0.000 0.269 400 T C 0.364 175.139 174.700 0.125 0.000 1.017 400 T CA -0.602 61.568 62.100 0.117 0.000 0.899 400 T CB 0.179 69.120 68.868 0.121 0.000 1.077 400 T HN -0.014 nan 8.240 nan 0.000 0.552 401 D N 2.163 122.611 120.400 0.079 0.000 2.423 401 D HA 0.470 5.110 4.640 -0.000 0.000 0.238 401 D C 1.270 177.664 176.300 0.157 0.000 1.142 401 D CA 1.586 55.640 54.000 0.090 0.000 0.884 401 D CB 0.776 41.613 40.800 0.060 0.000 1.199 401 D HN 0.584 nan 8.370 nan 0.000 0.438 402 G N 0.425 109.324 108.800 0.164 0.000 2.632 402 G HA2 0.011 3.971 3.960 -0.000 0.000 0.224 402 G HA3 0.011 3.971 3.960 -0.000 0.000 0.224 402 G C -0.345 174.707 174.900 0.253 0.000 1.341 402 G CA 0.201 45.434 45.100 0.222 0.000 0.880 402 G HN 0.797 nan 8.290 nan 0.000 0.566 403 M N -3.499 116.248 119.600 0.245 0.000 3.012 403 M HA 0.726 5.206 4.480 -0.000 0.000 0.272 403 M C -1.256 175.041 176.300 -0.006 0.000 1.187 403 M CA -1.180 54.090 55.300 -0.051 0.000 0.813 403 M CB 1.695 34.235 32.600 -0.099 0.000 1.626 403 M HN 1.025 nan 8.290 nan 0.000 0.507 404 V N 1.559 121.392 119.914 -0.134 0.000 2.459 404 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 404 V C -0.774 175.343 176.094 0.038 0.000 1.029 404 V CA -0.408 61.904 62.300 0.020 0.000 0.874 404 V CB 1.756 33.585 31.823 0.011 0.000 0.985 404 V HN 0.784 nan 8.190 nan 0.000 0.438 405 K N 5.332 125.793 120.400 0.102 0.000 2.376 405 K HA 0.624 4.944 4.320 -0.000 0.000 0.257 405 K C -1.512 175.171 176.600 0.138 0.000 0.939 405 K CA -0.617 55.725 56.287 0.091 0.000 0.809 405 K CB 1.351 33.891 32.500 0.067 0.000 1.121 405 K HN 0.478 nan 8.250 nan 0.000 0.425 406 I N 5.758 126.377 120.570 0.082 0.000 2.404 406 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 406 I C -0.486 175.686 176.117 0.090 0.000 0.992 406 I CA -0.862 60.480 61.300 0.069 0.000 1.149 406 I CB 1.530 39.509 38.000 -0.036 0.000 1.315 406 I HN 0.641 nan 8.210 nan 0.000 0.446 407 L N 5.399 126.682 121.223 0.101 0.000 2.305 407 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 407 L C 0.398 177.322 176.870 0.091 0.000 1.013 407 L CA -0.427 54.467 54.840 0.090 0.000 0.819 407 L CB 1.810 43.854 42.059 -0.025 0.000 1.227 407 L HN 0.683 nan 8.230 nan 0.000 0.417 408 G N 1.609 110.488 108.800 0.132 0.000 2.482 408 G HA2 0.324 4.284 3.960 -0.000 0.000 0.317 408 G HA3 0.324 4.284 3.960 -0.000 0.000 0.317 408 G C -1.239 173.743 174.900 0.137 0.000 1.241 408 G CA -0.402 44.761 45.100 0.105 0.000 0.967 408 G HN 0.401 nan 8.290 nan 0.000 0.482 409 Q N 1.150 121.013 119.800 0.105 0.000 2.271 409 Q HA 0.042 4.382 4.340 -0.000 0.000 0.273 409 Q C 1.255 177.300 176.000 0.075 0.000 1.051 409 Q CA 0.016 55.881 55.803 0.103 0.000 0.901 409 Q CB 0.892 29.675 28.738 0.076 0.000 1.174 409 Q HN 0.627 nan 8.270 nan 0.000 0.385 410 K N 1.545 121.984 120.400 0.066 0.000 2.089 410 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 410 K C 1.713 178.324 176.600 0.017 0.000 1.048 410 K CA 2.163 58.465 56.287 0.024 0.000 0.926 410 K CB 0.116 32.612 32.500 -0.006 0.000 0.714 410 K HN 0.696 nan 8.250 nan 0.000 0.448 411 S N -0.984 114.729 115.700 0.023 0.000 2.475 411 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 411 S C 1.910 176.524 174.600 0.023 0.000 1.042 411 S CA 0.985 59.195 58.200 0.018 0.000 0.935 411 S CB 0.050 63.259 63.200 0.015 0.000 0.801 411 S HN 0.361 nan 8.310 nan 0.000 0.509 412 T N -2.274 112.299 114.554 0.032 0.000 3.044 412 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 412 T C 0.569 175.291 174.700 0.037 0.000 1.081 412 T CA 0.784 62.904 62.100 0.033 0.000 1.040 412 T CB -0.432 68.458 68.868 0.037 0.000 0.962 412 T HN 0.305 nan 8.240 nan 0.000 0.506 413 D N 0.333 120.757 120.400 0.040 0.000 3.079 413 D HA -0.174 4.466 4.640 -0.000 0.000 0.214 413 D C 0.073 176.399 176.300 0.044 0.000 1.145 413 D CA 0.663 54.687 54.000 0.041 0.000 0.958 413 D CB -1.210 39.611 40.800 0.036 0.000 1.117 413 D HN 0.555 nan 8.370 nan 0.000 0.416 414 R N 0.038 120.568 120.500 0.050 0.000 2.449 414 R HA 0.374 4.714 4.340 -0.000 0.000 0.296 414 R C -0.592 175.743 176.300 0.058 0.000 1.047 414 R CA -0.204 55.928 56.100 0.054 0.000 1.018 414 R CB 0.673 31.006 30.300 0.055 0.000 0.962 414 R HN -0.006 nan 8.270 nan 0.000 0.428 415 V N 8.171 128.119 119.914 0.057 0.000 2.421 415 V HA -0.003 4.117 4.120 -0.000 0.000 0.271 415 V C 1.283 177.416 176.094 0.064 0.000 1.031 415 V CA 0.280 62.615 62.300 0.058 0.000 1.032 415 V CB 0.415 32.276 31.823 0.064 0.000 1.009 415 V HN 0.787 nan 8.190 nan 0.000 0.477 416 L N 4.202 125.460 121.223 0.060 0.000 2.354 416 L HA 0.452 4.792 4.340 -0.000 0.000 0.212 416 L C 1.084 177.985 176.870 0.052 0.000 1.091 416 L CA 0.756 55.626 54.840 0.051 0.000 0.828 416 L CB 0.098 42.178 42.059 0.034 0.000 0.973 416 L HN 0.773 nan 8.230 nan 0.000 0.461 417 G N -0.394 108.441 108.800 0.059 0.000 2.732 417 G HA2 0.650 4.609 3.960 -0.000 0.000 0.296 417 G HA3 0.650 4.609 3.960 -0.000 0.000 0.296 417 G C -2.003 172.906 174.900 0.015 0.000 1.448 417 G CA -0.020 45.103 45.100 0.037 0.000 0.911 417 G HN -0.004 nan 8.290 nan 0.000 0.528 418 A N 1.686 124.423 122.820 -0.138 0.000 2.343 418 A HA 0.842 5.162 4.320 -0.000 0.000 0.308 418 A C -0.977 176.449 177.584 -0.263 0.000 1.092 418 A CA -0.709 51.320 52.037 -0.013 0.000 0.751 418 A CB 1.100 20.227 19.000 0.213 0.000 1.203 418 A HN 0.741 nan 8.150 nan 0.000 0.452 419 H N 2.548 121.716 119.070 0.163 0.000 2.658 419 H HA 0.480 5.036 4.556 -0.000 0.000 0.337 419 H C -1.215 174.198 175.328 0.143 0.000 1.009 419 H CA -0.257 55.882 56.048 0.152 0.000 1.231 419 H CB 1.647 31.425 29.762 0.027 0.000 1.508 419 H HN 0.554 nan 8.280 nan 0.000 0.517 420 I N 4.127 124.843 120.570 0.243 0.000 2.436 420 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 420 I C -0.745 175.468 176.117 0.161 0.000 1.010 420 I CA -0.854 60.578 61.300 0.221 0.000 1.098 420 I CB 2.225 40.342 38.000 0.196 0.000 1.266 420 I HN 0.197 nan 8.210 nan 0.000 0.434 421 L N 6.753 128.093 121.223 0.194 0.000 2.372 421 L HA 0.982 5.322 4.340 -0.000 0.000 0.273 421 L C -0.161 176.805 176.870 0.160 0.000 0.989 421 L CA 0.385 55.280 54.840 0.091 0.000 0.841 421 L CB 1.072 43.176 42.059 0.075 0.000 1.225 421 L HN 0.836 nan 8.230 nan 0.000 0.414 422 G N 4.269 113.024 108.800 -0.075 0.000 2.350 422 G HA2 0.157 4.117 3.960 -0.000 0.000 0.282 422 G HA3 0.157 4.117 3.960 -0.000 0.000 0.282 422 G C -3.382 171.168 174.900 -0.583 0.000 1.314 422 G CA -0.506 44.378 45.100 -0.360 0.000 0.915 422 G HN 0.504 nan 8.290 nan 0.000 0.499 423 P HA 0.355 nan 4.420 nan 0.000 0.268 423 P C 1.048 178.097 177.300 -0.419 0.000 1.205 423 P CA 1.778 64.563 63.100 -0.525 0.000 0.771 423 P CB 0.948 32.415 31.700 -0.388 0.000 0.858 424 G N 2.356 111.021 108.800 -0.226 0.000 2.166 424 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.260 424 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.260 424 G C 1.133 175.960 174.900 -0.122 0.000 0.986 424 G CA 0.595 45.617 45.100 -0.130 0.000 0.683 424 G HN 0.721 nan 8.290 nan 0.000 0.527 425 A N 0.085 122.810 122.820 -0.159 0.000 1.917 425 A HA 0.189 4.508 4.320 -0.000 0.000 0.219 425 A C 2.886 180.368 177.584 -0.170 0.000 1.182 425 A CA 2.437 54.404 52.037 -0.117 0.000 0.633 425 A CB -1.115 17.811 19.000 -0.124 0.000 0.819 425 A HN 1.668 nan 8.150 nan 0.000 0.448 426 G N -0.577 108.077 108.800 -0.242 0.000 2.476 426 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 426 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 426 G C 1.419 176.206 174.900 -0.188 0.000 1.164 426 G CA 1.122 46.041 45.100 -0.301 0.000 0.768 426 G HN 0.503 nan 8.290 nan 0.000 0.560 427 E N -0.186 119.941 120.200 -0.123 0.000 2.107 427 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 427 E C 2.363 178.887 176.600 -0.126 0.000 0.982 427 E CA 0.404 56.747 56.400 -0.095 0.000 0.809 427 E CB -0.401 29.267 29.700 -0.053 0.000 0.756 427 E HN 0.512 nan 8.360 nan 0.000 0.459 428 M N 0.590 120.112 119.600 -0.130 0.000 2.213 428 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 428 M C 2.143 178.273 176.300 -0.284 0.000 1.062 428 M CA 0.955 56.147 55.300 -0.180 0.000 1.105 428 M CB 0.045 32.586 32.600 -0.099 0.000 1.385 428 M HN -0.054 nan 8.290 nan 0.000 0.417 429 V N 1.307 121.089 119.914 -0.220 0.000 2.913 429 V HA -0.227 3.893 4.120 -0.000 0.000 0.260 429 V C 1.663 177.628 176.094 -0.216 0.000 1.098 429 V CA 1.610 63.779 62.300 -0.220 0.000 1.121 429 V CB -0.834 30.875 31.823 -0.191 0.000 0.714 429 V HN 0.565 nan 8.190 nan 0.000 0.487 430 N N 0.037 118.616 118.700 -0.201 0.000 2.270 430 N HA -0.159 4.581 4.740 -0.000 0.000 0.181 430 N C 1.789 177.209 175.510 -0.150 0.000 1.016 430 N CA 1.411 54.366 53.050 -0.158 0.000 0.870 430 N CB -0.079 38.328 38.487 -0.133 0.000 0.979 430 N HN 0.692 nan 8.380 nan 0.000 0.431 431 E N 1.172 121.238 120.200 -0.222 0.000 2.106 431 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 431 E C 1.804 178.283 176.600 -0.201 0.000 0.984 431 E CA 0.799 57.069 56.400 -0.216 0.000 0.806 431 E CB 0.068 29.582 29.700 -0.309 0.000 0.750 431 E HN 0.264 nan 8.360 nan 0.000 0.458 432 A N 1.252 123.875 122.820 -0.328 0.000 1.898 432 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 432 A C 2.392 179.989 177.584 0.023 0.000 1.181 432 A CA 1.652 53.644 52.037 -0.075 0.000 0.620 432 A CB -0.697 18.264 19.000 -0.066 0.000 0.819 432 A HN 0.410 nan 8.150 nan 0.000 0.442 433 A N -0.326 122.472 122.820 -0.036 0.000 1.902 433 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 433 A C 2.129 179.739 177.584 0.043 0.000 1.181 433 A CA 1.708 53.742 52.037 -0.005 0.000 0.623 433 A CB -0.670 18.302 19.000 -0.047 0.000 0.818 433 A HN 0.779 nan 8.150 nan 0.000 0.443 434 L N -0.110 121.138 121.223 0.042 0.000 2.042 434 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 434 L C 2.589 179.577 176.870 0.197 0.000 1.076 434 L CA 2.337 57.246 54.840 0.115 0.000 0.749 434 L CB -0.776 41.326 42.059 0.071 0.000 0.893 434 L HN 0.338 nan 8.230 nan 0.000 0.432 435 A N -0.556 122.352 122.820 0.148 0.000 1.902 435 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 435 A C 2.298 179.992 177.584 0.184 0.000 1.181 435 A CA 1.908 54.052 52.037 0.178 0.000 0.623 435 A CB -0.894 18.233 19.000 0.213 0.000 0.818 435 A HN 0.501 nan 8.150 nan 0.000 0.443 436 L N -1.029 120.280 121.223 0.143 0.000 2.083 436 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 436 L C 2.598 179.531 176.870 0.104 0.000 1.083 436 L CA 1.652 56.560 54.840 0.114 0.000 0.752 436 L CB -0.378 41.732 42.059 0.085 0.000 0.899 436 L HN 0.427 nan 8.230 nan 0.000 0.433 437 E N -0.386 119.876 120.200 0.104 0.000 2.204 437 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 437 E C 1.233 177.824 176.600 -0.014 0.000 0.990 437 E CA 1.239 57.663 56.400 0.039 0.000 0.821 437 E CB -0.040 29.675 29.700 0.025 0.000 0.750 437 E HN 0.445 nan 8.360 nan 0.000 0.477 438 Y N -0.894 119.423 120.300 0.029 0.000 2.493 438 Y HA 0.262 4.812 4.550 -0.000 0.000 0.275 438 Y C 1.288 177.206 175.900 0.029 0.000 1.183 438 Y CA 0.316 58.431 58.100 0.025 0.000 1.258 438 Y CB 0.673 39.148 38.460 0.026 0.000 1.108 438 Y HN 0.120 nan 8.280 nan 0.000 0.521 439 G N 0.803 109.687 108.800 0.140 0.000 2.283 439 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 439 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 439 G C 0.476 175.444 174.900 0.113 0.000 1.029 439 G CA 0.104 45.266 45.100 0.103 0.000 0.840 439 G HN 0.649 nan 8.290 nan 0.000 0.505 440 A N -0.221 122.680 122.820 0.135 0.000 2.520 440 A HA 0.640 4.960 4.320 -0.000 0.000 0.235 440 A C 1.094 178.723 177.584 0.076 0.000 1.065 440 A CA 0.957 53.058 52.037 0.106 0.000 0.764 440 A CB 0.312 19.378 19.000 0.111 0.000 1.002 440 A HN 2.043 nan 8.150 nan 0.000 0.502 441 S N 0.269 116.003 115.700 0.057 0.000 2.690 441 S HA 0.318 4.788 4.470 -0.000 0.000 0.291 441 S C 1.020 175.634 174.600 0.024 0.000 1.138 441 S CA -0.191 58.034 58.200 0.042 0.000 1.013 441 S CB 0.846 64.069 63.200 0.038 0.000 1.053 441 S HN 0.716 nan 8.310 nan 0.000 0.539 442 C N 0.702 120.009 119.300 0.011 0.000 2.413 442 C HA -0.045 4.415 4.460 -0.000 0.000 0.276 442 C C 2.711 177.688 174.990 -0.023 0.000 1.248 442 C CA 1.065 60.069 59.018 -0.024 0.000 1.742 442 C CB -1.530 26.200 27.740 -0.016 0.000 2.017 442 C HN 1.075 nan 8.230 nan 0.000 0.481 443 E N 0.889 121.092 120.200 0.006 0.000 2.085 443 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 443 E C 1.575 178.178 176.600 0.004 0.000 0.994 443 E CA 1.413 57.818 56.400 0.009 0.000 0.801 443 E CB -0.144 29.571 29.700 0.025 0.000 0.743 443 E HN 0.584 nan 8.360 nan 0.000 0.453 444 D N 0.397 120.805 120.400 0.013 0.000 2.116 444 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 444 D C 2.057 178.373 176.300 0.026 0.000 0.998 444 D CA 1.213 55.223 54.000 0.017 0.000 0.836 444 D CB -0.289 40.525 40.800 0.024 0.000 0.951 444 D HN 0.329 nan 8.370 nan 0.000 0.449 445 I N 1.213 121.798 120.570 0.026 0.000 2.252 445 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 445 I C 2.579 178.717 176.117 0.035 0.000 1.102 445 I CA 0.905 62.241 61.300 0.060 0.000 1.385 445 I CB -0.278 37.710 38.000 -0.019 0.000 1.064 445 I HN -0.092 nan 8.210 nan 0.000 0.414 446 A N 0.904 123.698 122.820 -0.043 0.000 1.978 446 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 446 A C 2.317 179.890 177.584 -0.018 0.000 1.170 446 A CA 1.551 53.548 52.037 -0.066 0.000 0.636 446 A CB -0.567 18.393 19.000 -0.067 0.000 0.810 446 A HN 0.373 nan 8.150 nan 0.000 0.448 447 R N -0.865 119.639 120.500 0.006 0.000 2.299 447 R HA 0.142 4.482 4.340 -0.000 0.000 0.197 447 R C -0.269 176.055 176.300 0.040 0.000 0.971 447 R CA -0.076 56.030 56.100 0.010 0.000 1.030 447 R CB -0.022 30.276 30.300 -0.003 0.000 0.932 447 R HN 0.317 nan 8.270 nan 0.000 0.477 448 V N 1.318 121.287 119.914 0.093 0.000 2.555 448 V HA -0.034 4.086 4.120 -0.000 0.000 0.286 448 V C 0.524 176.709 176.094 0.152 0.000 1.044 448 V CA -0.710 61.638 62.300 0.080 0.000 1.026 448 V CB 1.268 33.125 31.823 0.056 0.000 0.981 448 V HN 0.307 nan 8.190 nan 0.000 0.480 449 C N 7.427 126.753 119.300 0.043 0.000 2.610 449 C HA 0.280 4.740 4.460 -0.000 0.000 0.382 449 C C 0.434 175.441 174.990 0.029 0.000 1.287 449 C CA -0.400 58.655 59.018 0.061 0.000 1.640 449 C CB -1.896 25.851 27.740 0.012 0.000 2.335 449 C HN 0.882 nan 8.230 nan 0.000 0.577 450 H N 3.603 122.683 119.070 0.016 0.000 2.467 450 H HA 0.528 5.084 4.556 -0.000 0.000 0.331 450 H C 0.617 175.972 175.328 0.045 0.000 1.120 450 H CA 0.544 56.612 56.048 0.032 0.000 1.270 450 H CB 1.200 30.987 29.762 0.041 0.000 1.466 450 H HN 0.883 nan 8.280 nan 0.000 0.504 451 A N 2.377 125.269 122.820 0.121 0.000 2.498 451 A HA 0.162 4.482 4.320 -0.000 0.000 0.239 451 A C -0.385 177.288 177.584 0.148 0.000 1.068 451 A CA 0.196 52.295 52.037 0.104 0.000 0.766 451 A CB -0.342 18.690 19.000 0.055 0.000 1.003 451 A HN 0.888 nan 8.150 nan 0.000 0.497 452 H N 2.413 121.512 119.070 0.048 0.000 2.489 452 H HA 0.637 5.193 4.556 -0.000 0.000 0.343 452 H C -2.410 172.942 175.328 0.041 0.000 1.086 452 H CA -1.476 54.599 56.048 0.046 0.000 1.198 452 H CB 1.408 31.191 29.762 0.035 0.000 1.490 452 H HN 0.585 nan 8.280 nan 0.000 0.504 453 P HA 0.303 nan 4.420 nan 0.000 0.300 453 P C -1.327 175.876 177.300 -0.161 0.000 1.326 453 P CA -0.607 62.160 63.100 -0.556 0.000 0.844 453 P CB 1.859 33.206 31.700 -0.589 0.000 0.992 454 T N -1.248 113.268 114.554 -0.063 0.000 2.883 454 T HA 0.352 4.702 4.350 -0.000 0.000 0.301 454 T C 1.186 175.935 174.700 0.081 0.000 1.158 454 T CA -0.920 61.195 62.100 0.026 0.000 1.007 454 T CB 0.908 69.814 68.868 0.063 0.000 1.186 454 T HN 0.124 nan 8.240 nan 0.000 0.499 455 L N 1.353 122.646 121.223 0.116 0.000 2.131 455 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 455 L C 3.037 180.050 176.870 0.238 0.000 1.092 455 L CA 1.657 56.633 54.840 0.225 0.000 0.759 455 L CB -0.684 41.479 42.059 0.174 0.000 0.903 455 L HN 0.964 nan 8.230 nan 0.000 0.435 456 S N -0.530 115.274 115.700 0.172 0.000 2.465 456 S HA -0.208 4.262 4.470 -0.000 0.000 0.241 456 S C 1.588 176.262 174.600 0.124 0.000 1.000 456 S CA 1.134 59.455 58.200 0.202 0.000 0.964 456 S CB -0.364 62.992 63.200 0.261 0.000 0.763 456 S HN 0.515 nan 8.310 nan 0.000 0.512 457 E N 1.265 121.490 120.200 0.041 0.000 2.268 457 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 457 E C 2.310 178.710 176.600 -0.333 0.000 0.995 457 E CA 0.850 57.167 56.400 -0.139 0.000 0.836 457 E CB -0.349 29.317 29.700 -0.057 0.000 0.763 457 E HN 0.780 nan 8.360 nan 0.000 0.491 458 A N 0.847 123.522 122.820 -0.241 0.000 1.930 458 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 458 A C 1.898 179.311 177.584 -0.285 0.000 1.175 458 A CA 0.750 52.519 52.037 -0.447 0.000 0.627 458 A CB -0.557 18.225 19.000 -0.363 0.000 0.815 458 A HN 0.325 nan 8.150 nan 0.000 0.443 459 F N 0.629 120.440 119.950 -0.232 0.000 2.102 459 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 459 F C 2.344 177.997 175.800 -0.244 0.000 1.105 459 F CA 1.985 59.890 58.000 -0.158 0.000 1.239 459 F CB -0.257 38.709 39.000 -0.057 0.000 0.991 459 F HN 0.189 nan 8.300 nan 0.000 0.474 460 R N 0.348 120.603 120.500 -0.408 0.000 2.081 460 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 460 R C 2.193 178.229 176.300 -0.439 0.000 1.131 460 R CA 1.759 57.516 56.100 -0.572 0.000 0.960 460 R CB -0.364 29.440 30.300 -0.827 0.000 0.856 460 R HN 0.301 nan 8.270 nan 0.000 0.436 461 E N 0.059 119.968 120.200 -0.485 0.000 2.110 461 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 461 E C 1.828 178.293 176.600 -0.224 0.000 0.988 461 E CA 1.165 57.298 56.400 -0.446 0.000 0.804 461 E CB -0.080 29.004 29.700 -1.027 0.000 0.745 461 E HN 0.442 nan 8.360 nan 0.000 0.458 462 A N 1.763 124.447 122.820 -0.227 0.000 1.930 462 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 462 A C 1.943 179.443 177.584 -0.140 0.000 1.175 462 A CA 1.066 53.050 52.037 -0.088 0.000 0.627 462 A CB -0.344 18.605 19.000 -0.084 0.000 0.815 462 A HN 0.150 nan 8.150 nan 0.000 0.443 463 N N -0.265 118.265 118.700 -0.282 0.000 2.188 463 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 463 N C 1.681 177.125 175.510 -0.110 0.000 1.018 463 N CA 1.446 54.354 53.050 -0.236 0.000 0.858 463 N CB -0.315 37.953 38.487 -0.365 0.000 0.989 463 N HN 0.412 nan 8.380 nan 0.000 0.426 464 L N 1.610 122.768 121.223 -0.107 0.000 2.046 464 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 464 L C 2.209 179.122 176.870 0.072 0.000 1.077 464 L CA 1.588 56.414 54.840 -0.022 0.000 0.747 464 L CB -0.943 41.082 42.059 -0.056 0.000 0.896 464 L HN 0.070 nan 8.230 nan 0.000 0.432 465 A N -0.538 122.322 122.820 0.068 0.000 1.902 465 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 465 A C 2.447 180.078 177.584 0.078 0.000 1.181 465 A CA 1.828 53.933 52.037 0.113 0.000 0.623 465 A CB -1.163 17.919 19.000 0.137 0.000 0.818 465 A HN 0.585 nan 8.150 nan 0.000 0.443 466 A N -1.047 121.799 122.820 0.044 0.000 1.930 466 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 466 A C 2.474 180.083 177.584 0.040 0.000 1.175 466 A CA 2.156 54.215 52.037 0.037 0.000 0.627 466 A CB -0.816 18.198 19.000 0.022 0.000 0.815 466 A HN 0.526 nan 8.150 nan 0.000 0.443 467 S N -1.902 113.829 115.700 0.051 0.000 2.335 467 S HA -0.055 4.415 4.470 -0.000 0.000 0.217 467 S C 1.660 176.331 174.600 0.119 0.000 1.032 467 S CA 1.416 59.658 58.200 0.071 0.000 0.985 467 S CB -0.379 62.859 63.200 0.065 0.000 0.896 467 S HN 0.563 nan 8.310 nan 0.000 0.445 468 F N 0.938 120.882 119.950 -0.010 0.000 2.569 468 F HA 0.334 4.861 4.527 -0.000 0.000 0.295 468 F C 1.574 177.373 175.800 -0.001 0.000 1.115 468 F CA 1.135 59.132 58.000 -0.006 0.000 1.450 468 F CB 0.210 39.205 39.000 -0.008 0.000 1.107 468 F HN 0.423 nan 8.300 nan 0.000 0.563 469 G N 0.902 109.705 108.800 0.005 0.000 2.232 469 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 469 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 469 G C 0.214 175.131 174.900 0.029 0.000 0.996 469 G CA 0.119 45.180 45.100 -0.065 0.000 0.626 469 G HN 0.418 nan 8.290 nan 0.000 0.509 470 K N 0.436 120.947 120.400 0.185 0.000 2.523 470 K HA 0.618 4.938 4.320 -0.000 0.000 0.257 470 K C 0.042 176.802 176.600 0.266 0.000 0.932 470 K CA -0.175 56.244 56.287 0.220 0.000 0.812 470 K CB 2.216 34.852 32.500 0.226 0.000 1.326 470 K HN 0.391 nan 8.250 nan 0.000 0.433 471 S N 1.356 117.188 115.700 0.219 0.000 2.719 471 S HA 0.401 4.871 4.470 -0.000 0.000 0.285 471 S C 1.040 175.735 174.600 0.159 0.000 1.137 471 S CA -0.792 57.521 58.200 0.188 0.000 1.012 471 S CB 0.537 63.920 63.200 0.304 0.000 1.134 471 S HN 0.457 nan 8.310 nan 0.000 0.544 472 I N 0.928 121.565 120.570 0.112 0.000 2.429 472 I HA 0.038 4.208 4.170 -0.000 0.000 0.247 472 I C 1.343 177.554 176.117 0.157 0.000 1.099 472 I CA 0.824 62.175 61.300 0.085 0.000 1.422 472 I CB -1.433 36.578 38.000 0.018 0.000 1.112 472 I HN 0.626 nan 8.210 nan 0.000 0.430 473 N N 0.001 118.864 118.700 0.273 0.000 2.314 473 N HA 0.083 4.823 4.740 -0.000 0.000 0.200 473 N C -0.222 175.563 175.510 0.458 0.000 1.135 473 N CA 0.189 53.459 53.050 0.367 0.000 0.835 473 N CB 0.687 39.418 38.487 0.406 0.000 0.989 473 N HN 0.170 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.072 119.950 0.203 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.000 58.000 -0.001 0.000 1.383 474 F CB 0.000 38.821 39.000 -0.299 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574