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 3czo_1_C DATA FIRST_RESID 25 DATA SEQUENCE NVIIGNQKLT INDVARVARN GTLVSLTNNT DILQGIQASC DYINNAVESG DATA SEQUENCE EPIYGVTSGF GGXANVAISR EQASELQTNL VWFLKTGAGN KLPLADVRAA DATA SEQUENCE XLLRANSHXR GASGIRLELI KRXEIFLNAG VTPYVYEFGS IGXXXDLVPL DATA SEQUENCE SYITGSLIGL DPSFKVDFNG KEXDAPTALR QLNLSPLTLL PKEGLAXXNG DATA SEQUENCE TSVXTGIAAN CVYDTQILTA IAXGVHALDI QALNGTNQSF HPFIHNSKPH DATA SEQUENCE PGQLWAADQX ISLLANSQLV RDELDGKHDY RDHELIQDRY SLRCLPQYLG DATA SEQUENCE PIVDGISQIA KQIEIEINSV TDNPLIDVDN QASYHGGNFL GQYVGXGXDH DATA SEQUENCE LRYYIGLLAK HLDVQIALLA SPEFSNGLPP SLLGNRERKV NXGLKGLQIC DATA SEQUENCE GNSIXPLLTF YGNSIADRFP THAEQFNQNI NSQGYTSATL ARRSVDIFQN DATA SEQUENCE YVAIALXFGV QAVDLRTYKK TGHYDARASL SPATERLYSA VRHVVGQKPT DATA SEQUENCE SDRPYIWNDN EQGLDEHIAR ISADIAAGGV IVQAVQDIL 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.508 175.510 -0.003 0.000 1.280 25 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 25 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 26 V N 3.290 123.200 119.914 -0.006 0.000 2.385 26 V HA 0.430 4.550 4.120 0.000 0.000 0.269 26 V C 0.020 176.110 176.094 -0.006 0.000 1.043 26 V CA -0.292 62.003 62.300 -0.008 0.000 0.906 26 V CB 0.562 32.377 31.823 -0.014 0.000 0.995 26 V HN 0.095 nan 8.190 nan 0.000 0.467 27 I N 6.231 126.799 120.570 -0.004 0.000 2.315 27 I HA 0.418 4.588 4.170 0.000 0.000 0.291 27 I C -0.044 176.071 176.117 -0.004 0.000 1.006 27 I CA -0.301 60.998 61.300 -0.003 0.000 1.265 27 I CB 1.284 39.284 38.000 -0.001 0.000 1.387 27 I HN 0.411 nan 8.210 nan 0.000 0.475 28 I N 5.665 126.233 120.570 -0.004 0.000 2.395 28 I HA 0.329 4.499 4.170 0.000 0.000 0.289 28 I C 1.258 177.374 176.117 -0.001 0.000 1.023 28 I CA 0.297 61.593 61.300 -0.006 0.000 1.350 28 I CB 1.130 39.126 38.000 -0.007 0.000 1.409 28 I HN 0.965 nan 8.210 nan 0.000 0.507 29 G N 4.119 112.918 108.800 -0.001 0.000 2.241 29 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 29 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 29 G C 0.800 175.701 174.900 0.002 0.000 0.998 29 G CA 0.097 45.199 45.100 0.003 0.000 0.621 29 G HN 0.570 nan 8.290 nan 0.000 0.519 30 N N 0.798 119.498 118.700 0.000 0.000 2.242 30 N HA 0.127 4.867 4.740 0.000 0.000 0.198 30 N C 1.353 176.862 175.510 -0.002 0.000 1.042 30 N CA 1.159 54.209 53.050 -0.000 0.000 0.964 30 N CB -0.423 38.064 38.487 0.000 0.000 1.156 30 N HN 0.727 nan 8.380 nan 0.000 0.503 31 Q N 0.949 120.748 119.800 -0.003 0.000 2.382 31 Q HA 0.260 4.600 4.340 0.000 0.000 0.229 31 Q C -0.367 175.629 176.000 -0.007 0.000 1.006 31 Q CA -0.144 55.657 55.803 -0.004 0.000 0.916 31 Q CB 0.815 29.552 28.738 -0.003 0.000 1.235 31 Q HN 0.082 nan 8.270 nan 0.000 0.512 32 K N 1.074 121.469 120.400 -0.008 0.000 2.401 32 K HA 0.138 4.458 4.320 0.000 0.000 0.278 32 K C -0.369 176.224 176.600 -0.011 0.000 1.018 32 K CA -0.089 56.191 56.287 -0.012 0.000 0.981 32 K CB 0.325 32.816 32.500 -0.014 0.000 0.933 32 K HN 0.363 nan 8.250 nan 0.000 0.477 33 L N 2.581 123.796 121.223 -0.014 0.000 2.417 33 L HA 0.125 4.465 4.340 0.000 0.000 0.268 33 L C 0.972 177.836 176.870 -0.010 0.000 1.158 33 L CA -0.202 54.630 54.840 -0.014 0.000 0.819 33 L CB 0.704 42.751 42.059 -0.019 0.000 1.112 33 L HN 0.777 nan 8.230 nan 0.000 0.458 34 T N -1.570 112.981 114.554 -0.005 0.000 2.948 34 T HA 0.436 4.786 4.350 0.000 0.000 0.285 34 T C 1.208 175.913 174.700 0.008 0.000 1.019 34 T CA -0.808 61.296 62.100 0.006 0.000 1.013 34 T CB 1.475 70.353 68.868 0.016 0.000 1.117 34 T HN 0.394 nan 8.240 nan 0.000 0.533 35 I N 0.949 121.537 120.570 0.029 0.000 2.208 35 I HA -0.193 3.977 4.170 0.000 0.000 0.245 35 I C 2.752 178.887 176.117 0.030 0.000 1.097 35 I CA 1.134 62.460 61.300 0.043 0.000 1.363 35 I CB -0.462 37.596 38.000 0.096 0.000 1.051 35 I HN 0.647 nan 8.210 nan 0.000 0.413 36 N N 1.021 119.770 118.700 0.081 0.000 2.036 36 N HA -0.221 4.520 4.740 0.000 0.000 0.195 36 N C 1.467 176.958 175.510 -0.032 0.000 1.037 36 N CA 1.765 54.864 53.050 0.081 0.000 0.855 36 N CB -0.351 38.203 38.487 0.112 0.000 1.033 36 N HN 0.301 nan 8.380 nan 0.000 0.423 37 D N -0.050 120.339 120.400 -0.020 0.000 2.104 37 D HA -0.117 4.524 4.640 0.000 0.000 0.194 37 D C 2.109 178.367 176.300 -0.070 0.000 0.994 37 D CA 0.779 54.757 54.000 -0.037 0.000 0.830 37 D CB -0.465 40.322 40.800 -0.022 0.000 0.959 37 D HN 0.089 nan 8.370 nan 0.000 0.452 38 V N 1.686 121.555 119.914 -0.075 0.000 2.295 38 V HA -0.249 3.871 4.120 0.000 0.000 0.246 38 V C 2.628 178.631 176.094 -0.151 0.000 1.049 38 V CA 1.871 64.118 62.300 -0.088 0.000 1.024 38 V CB -0.915 30.871 31.823 -0.063 0.000 0.648 38 V HN 0.192 nan 8.190 nan 0.000 0.447 39 A N -0.127 122.536 122.820 -0.262 0.000 1.908 39 A HA -0.275 4.045 4.320 0.000 0.000 0.218 39 A C 2.376 179.749 177.584 -0.352 0.000 1.181 39 A CA 2.194 53.935 52.037 -0.493 0.000 0.627 39 A CB -0.541 17.741 19.000 -1.197 0.000 0.818 39 A HN 0.513 nan 8.150 nan 0.000 0.445 40 R N -0.936 119.422 120.500 -0.237 0.000 2.081 40 R HA -0.065 4.275 4.340 0.000 0.000 0.235 40 R C 2.068 178.312 176.300 -0.093 0.000 1.131 40 R CA 1.469 57.491 56.100 -0.130 0.000 0.960 40 R CB -0.474 29.784 30.300 -0.071 0.000 0.856 40 R HN 0.394 nan 8.270 nan 0.000 0.436 41 V N 0.691 120.554 119.914 -0.085 0.000 2.358 41 V HA -0.214 3.907 4.120 0.000 0.000 0.246 41 V C 2.346 178.402 176.094 -0.063 0.000 1.047 41 V CA 1.961 64.225 62.300 -0.059 0.000 1.035 41 V CB -0.624 31.171 31.823 -0.047 0.000 0.658 41 V HN 0.420 nan 8.190 nan 0.000 0.452 42 A N -0.058 122.710 122.820 -0.087 0.000 1.873 42 A HA -0.143 4.177 4.320 0.000 0.000 0.215 42 A C 2.369 179.912 177.584 -0.068 0.000 1.186 42 A CA 1.435 53.427 52.037 -0.075 0.000 0.616 42 A CB -0.290 18.656 19.000 -0.091 0.000 0.823 42 A HN 0.439 nan 8.150 nan 0.000 0.442 43 R N -0.995 119.452 120.500 -0.089 0.000 2.146 43 R HA 0.130 4.470 4.340 0.000 0.000 0.206 43 R C 0.586 176.861 176.300 -0.043 0.000 1.049 43 R CA 0.747 56.809 56.100 -0.064 0.000 1.029 43 R CB -0.403 29.849 30.300 -0.080 0.000 0.949 43 R HN 0.449 nan 8.270 nan 0.000 0.471 44 N N -0.144 118.527 118.700 -0.049 0.000 2.205 44 N HA 0.057 4.798 4.740 0.000 0.000 0.201 44 N C 0.727 176.224 175.510 -0.022 0.000 1.128 44 N CA 0.814 53.847 53.050 -0.029 0.000 0.867 44 N CB 1.127 39.598 38.487 -0.027 0.000 0.996 44 N HN 0.360 nan 8.380 nan 0.000 0.503 45 G N 1.064 109.848 108.800 -0.027 0.000 2.153 45 G HA2 -0.289 3.672 3.960 0.000 0.000 0.252 45 G HA3 -0.289 3.672 3.960 0.000 0.000 0.252 45 G C 0.133 175.024 174.900 -0.016 0.000 0.994 45 G CA 0.578 45.666 45.100 -0.019 0.000 0.698 45 G HN 0.273 nan 8.290 nan 0.000 0.521 46 T N 1.358 115.899 114.554 -0.021 0.000 2.905 46 T HA 0.308 4.658 4.350 0.000 0.000 0.299 46 T C 1.294 175.986 174.700 -0.013 0.000 1.024 46 T CA 0.138 62.228 62.100 -0.016 0.000 1.151 46 T CB 0.658 69.513 68.868 -0.022 0.000 0.987 46 T HN 0.391 nan 8.240 nan 0.000 0.535 47 L N 3.036 124.254 121.223 -0.007 0.000 2.467 47 L HA 0.369 4.709 4.340 0.000 0.000 0.270 47 L C 0.286 177.153 176.870 -0.005 0.000 1.205 47 L CA -0.425 54.412 54.840 -0.004 0.000 0.828 47 L CB 0.283 42.342 42.059 -0.000 0.000 1.101 47 L HN 0.322 nan 8.230 nan 0.000 0.479 48 V N 1.339 121.252 119.914 -0.003 0.000 2.735 48 V HA 0.553 4.673 4.120 0.000 0.000 0.310 48 V C -0.510 175.584 176.094 0.001 0.000 1.061 48 V CA -0.278 62.020 62.300 -0.003 0.000 0.913 48 V CB 2.346 34.166 31.823 -0.005 0.000 1.005 48 V HN 0.860 nan 8.190 nan 0.000 0.428 49 S N 4.489 120.189 115.700 0.000 0.000 2.546 49 S HA 0.641 5.111 4.470 0.000 0.000 0.272 49 S C -0.905 173.696 174.600 0.002 0.000 1.140 49 S CA -0.639 57.563 58.200 0.003 0.000 0.920 49 S CB 1.608 64.810 63.200 0.003 0.000 1.083 49 S HN 0.528 nan 8.310 nan 0.000 0.476 50 L N 1.894 123.119 121.223 0.004 0.000 2.397 50 L HA 0.376 4.716 4.340 0.000 0.000 0.271 50 L C 1.213 178.086 176.870 0.005 0.000 1.148 50 L CA -0.411 54.432 54.840 0.005 0.000 0.825 50 L CB 0.498 42.561 42.059 0.008 0.000 1.117 50 L HN 0.599 nan 8.230 nan 0.000 0.456 51 T N 1.216 115.774 114.554 0.005 0.000 2.946 51 T HA -0.031 4.320 4.350 0.000 0.000 0.312 51 T C 1.088 175.791 174.700 0.006 0.000 1.066 51 T CA 0.812 62.915 62.100 0.005 0.000 1.138 51 T CB 0.329 69.200 68.868 0.005 0.000 1.014 51 T HN 0.821 nan 8.240 nan 0.000 0.544 52 N N 3.523 122.227 118.700 0.005 0.000 2.353 52 N HA 0.044 4.784 4.740 0.000 0.000 0.185 52 N C 0.735 176.248 175.510 0.005 0.000 1.098 52 N CA -0.021 53.032 53.050 0.005 0.000 0.872 52 N CB -0.234 38.256 38.487 0.005 0.000 0.970 52 N HN 0.754 nan 8.380 nan 0.000 0.467 53 N N 1.488 120.191 118.700 0.005 0.000 2.359 53 N HA -0.070 4.670 4.740 0.000 0.000 0.261 53 N C 1.077 176.590 175.510 0.006 0.000 1.267 53 N CA 1.061 54.114 53.050 0.005 0.000 0.864 53 N CB 0.783 39.273 38.487 0.005 0.000 1.063 53 N HN 0.460 nan 8.380 nan 0.000 0.474 54 T N -0.253 114.305 114.554 0.005 0.000 3.067 54 T HA 0.041 4.392 4.350 0.000 0.000 0.257 54 T C 1.638 176.342 174.700 0.006 0.000 1.105 54 T CA 1.106 63.210 62.100 0.006 0.000 1.104 54 T CB -0.562 68.309 68.868 0.005 0.000 0.925 54 T HN 0.505 nan 8.240 nan 0.000 0.498 55 D N 2.226 122.630 120.400 0.006 0.000 2.178 55 D HA 0.007 4.648 4.640 0.000 0.000 0.201 55 D C 2.093 178.398 176.300 0.007 0.000 0.980 55 D CA 1.083 55.087 54.000 0.006 0.000 0.842 55 D CB -0.510 40.293 40.800 0.006 0.000 0.948 55 D HN 0.383 nan 8.370 nan 0.000 0.472 56 I N 0.023 120.597 120.570 0.008 0.000 2.406 56 I HA -0.009 4.162 4.170 0.000 0.000 0.249 56 I C 2.706 178.829 176.117 0.011 0.000 1.122 56 I CA 0.583 61.889 61.300 0.010 0.000 1.431 56 I CB -0.686 37.319 38.000 0.010 0.000 1.087 56 I HN 0.273 nan 8.210 nan 0.000 0.424 57 L N 0.251 121.479 121.223 0.009 0.000 2.109 57 L HA -0.209 4.131 4.340 0.000 0.000 0.207 57 L C 2.657 179.531 176.870 0.008 0.000 1.086 57 L CA 0.991 55.836 54.840 0.008 0.000 0.760 57 L CB -0.492 41.571 42.059 0.007 0.000 0.910 57 L HN 0.264 nan 8.230 nan 0.000 0.437 58 Q N 0.619 120.424 119.800 0.008 0.000 2.061 58 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 58 Q C 2.092 178.098 176.000 0.010 0.000 0.984 58 Q CA 2.283 58.091 55.803 0.009 0.000 0.846 58 Q CB -0.601 28.142 28.738 0.008 0.000 0.902 58 Q HN 0.362 nan 8.270 nan 0.000 0.421 59 G N 0.814 109.620 108.800 0.009 0.000 2.440 59 G HA2 -0.243 3.718 3.960 0.000 0.000 0.218 59 G HA3 -0.243 3.718 3.960 0.000 0.000 0.218 59 G C 1.465 176.371 174.900 0.009 0.000 1.154 59 G CA 1.108 46.213 45.100 0.009 0.000 0.767 59 G HN 0.428 nan 8.290 nan 0.000 0.552 60 I N 0.166 120.742 120.570 0.010 0.000 2.127 60 I HA -0.245 3.926 4.170 0.000 0.000 0.241 60 I C 2.859 178.978 176.117 0.003 0.000 1.075 60 I CA 1.680 62.983 61.300 0.006 0.000 1.334 60 I CB -0.261 37.743 38.000 0.007 0.000 1.040 60 I HN 0.196 nan 8.210 nan 0.000 0.405 61 Q N 1.097 120.900 119.800 0.006 0.000 2.077 61 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 61 Q C 2.116 178.126 176.000 0.018 0.000 0.989 61 Q CA 2.543 58.351 55.803 0.008 0.000 0.853 61 Q CB -0.343 28.399 28.738 0.008 0.000 0.907 61 Q HN 0.531 nan 8.270 nan 0.000 0.418 62 A N -0.433 122.400 122.820 0.022 0.000 1.897 62 A HA -0.128 4.192 4.320 0.000 0.000 0.215 62 A C 2.239 179.859 177.584 0.060 0.000 1.181 62 A CA 1.789 53.848 52.037 0.037 0.000 0.620 62 A CB -0.918 18.099 19.000 0.028 0.000 0.821 62 A HN 0.585 nan 8.150 nan 0.000 0.443 63 S N -0.921 114.801 115.700 0.037 0.000 2.382 63 S HA -0.223 4.248 4.470 0.000 0.000 0.228 63 S C 2.032 176.685 174.600 0.087 0.000 1.027 63 S CA 1.246 59.472 58.200 0.045 0.000 0.991 63 S CB -1.451 61.750 63.200 0.001 0.000 0.823 63 S HN 0.623 nan 8.310 nan 0.000 0.469 64 C N 2.341 121.669 119.300 0.046 0.000 2.413 64 C HA -0.134 4.327 4.460 0.000 0.000 0.277 64 C C 2.490 177.506 174.990 0.044 0.000 1.228 64 C CA 1.596 60.633 59.018 0.032 0.000 1.731 64 C CB -1.597 26.147 27.740 0.006 0.000 2.042 64 C HN 0.605 nan 8.230 nan 0.000 0.468 65 D N -1.191 119.236 120.400 0.046 0.000 2.133 65 D HA -0.175 4.465 4.640 0.000 0.000 0.195 65 D C 1.706 178.032 176.300 0.045 0.000 0.997 65 D CA 1.757 55.778 54.000 0.035 0.000 0.840 65 D CB -0.795 40.025 40.800 0.034 0.000 0.947 65 D HN 0.753 nan 8.370 nan 0.000 0.452 66 Y N 1.389 121.677 120.300 -0.019 0.000 2.081 66 Y HA -0.240 4.310 4.550 0.001 0.000 0.280 66 Y C 2.255 178.141 175.900 -0.022 0.000 1.163 66 Y CA 1.431 59.517 58.100 -0.023 0.000 1.135 66 Y CB -0.206 38.237 38.460 -0.029 0.000 0.970 66 Y HN -0.122 nan 8.280 nan 0.000 0.498 67 I N 0.885 121.551 120.570 0.160 0.000 2.264 67 I HA -0.312 3.858 4.170 0.000 0.000 0.248 67 I C 2.158 178.242 176.117 -0.054 0.000 1.111 67 I CA 1.606 62.944 61.300 0.064 0.000 1.382 67 I CB -1.444 36.619 38.000 0.105 0.000 1.060 67 I HN 0.425 nan 8.210 nan 0.000 0.418 68 N N 1.661 120.333 118.700 -0.047 0.000 2.106 68 N HA -0.171 4.569 4.740 0.000 0.000 0.188 68 N C 1.475 176.928 175.510 -0.095 0.000 1.029 68 N CA 1.696 54.712 53.050 -0.056 0.000 0.848 68 N CB -0.386 38.080 38.487 -0.034 0.000 1.007 68 N HN 0.437 nan 8.380 nan 0.000 0.423 69 N N 0.048 118.666 118.700 -0.136 0.000 2.036 69 N HA -0.168 4.572 4.740 0.000 0.000 0.195 69 N C 1.689 177.076 175.510 -0.204 0.000 1.037 69 N CA 1.548 54.497 53.050 -0.168 0.000 0.855 69 N CB -0.253 38.111 38.487 -0.204 0.000 1.033 69 N HN 0.299 nan 8.380 nan 0.000 0.423 70 A N 0.755 123.387 122.820 -0.312 0.000 1.972 70 A HA -0.061 4.260 4.320 0.000 0.000 0.219 70 A C 2.385 179.889 177.584 -0.134 0.000 1.169 70 A CA 1.061 52.935 52.037 -0.271 0.000 0.635 70 A CB -0.541 18.236 19.000 -0.371 0.000 0.810 70 A HN 0.124 nan 8.150 nan 0.000 0.446 71 V N -0.051 119.802 119.914 -0.102 0.000 2.379 71 V HA -0.150 3.970 4.120 0.000 0.000 0.245 71 V C 3.037 179.096 176.094 -0.057 0.000 1.044 71 V CA 2.304 64.567 62.300 -0.060 0.000 1.036 71 V CB -1.344 30.454 31.823 -0.041 0.000 0.664 71 V HN 0.772 nan 8.190 nan 0.000 0.453 72 E N 1.071 121.231 120.200 -0.066 0.000 2.086 72 E HA -0.362 3.988 4.350 0.000 0.000 0.205 72 E C 2.176 178.745 176.600 -0.052 0.000 1.027 72 E CA 2.385 58.752 56.400 -0.056 0.000 0.830 72 E CB -1.146 nan 29.700 nan 0.000 0.751 72 E HN 0.863 nan 8.360 nan 0.000 0.456 73 S N -1.313 114.349 115.700 -0.063 0.000 2.603 73 S HA 0.392 4.862 4.470 0.000 0.000 0.220 73 S C 1.835 176.409 174.600 -0.043 0.000 0.967 73 S CA 0.832 59.001 58.200 -0.052 0.000 0.920 73 S CB -0.039 63.126 63.200 -0.059 0.000 0.773 73 S HN 1.800 nan 8.310 nan 0.000 0.529 74 G N 1.717 110.491 108.800 -0.043 0.000 2.272 74 G HA2 -0.207 3.754 3.960 0.000 0.000 0.280 74 G HA3 -0.207 3.754 3.960 0.000 0.000 0.280 74 G C -0.386 174.498 174.900 -0.027 0.000 1.067 74 G CA -0.225 44.855 45.100 -0.033 0.000 0.902 74 G HN 0.458 nan 8.290 nan 0.000 0.500 75 E N 0.439 120.618 120.200 -0.034 0.000 2.324 75 E HA 0.250 4.600 4.350 0.000 0.000 0.271 75 E C -2.065 174.539 176.600 0.007 0.000 1.028 75 E CA -1.923 54.466 56.400 -0.019 0.000 0.890 75 E CB 0.725 30.404 29.700 -0.036 0.000 1.004 75 E HN 0.208 nan 8.360 nan 0.000 0.431 76 P HA 0.086 nan 4.420 nan 0.000 0.260 76 P C -0.474 176.889 177.300 0.105 0.000 1.207 76 P CA 0.579 63.709 63.100 0.051 0.000 0.780 76 P CB 0.113 31.846 31.700 0.055 0.000 0.789 77 I N 3.438 124.082 120.570 0.122 0.000 2.533 77 I HA 0.271 4.442 4.170 0.000 0.000 0.290 77 I C -0.053 176.181 176.117 0.195 0.000 1.056 77 I CA -1.424 60.017 61.300 0.235 0.000 1.057 77 I CB 1.664 39.767 38.000 0.172 0.000 1.240 77 I HN 0.231 nan 8.210 nan 0.000 0.423 78 Y N 5.051 125.436 120.300 0.141 0.000 2.712 78 Y HA 0.277 4.827 4.550 0.000 0.000 0.333 78 Y C 1.363 177.211 175.900 -0.086 0.000 1.225 78 Y CA 1.069 59.062 58.100 -0.179 0.000 1.499 78 Y CB 0.656 38.730 38.460 -0.643 0.000 1.288 78 Y HN 0.848 nan 8.280 nan 0.000 0.575 79 G N 3.272 111.383 108.800 -1.149 0.000 2.203 79 G HA2 -0.261 3.700 3.960 0.000 0.000 0.263 79 G HA3 -0.261 3.700 3.960 0.000 0.000 0.263 79 G C 0.182 174.880 174.900 -0.337 0.000 1.012 79 G CA 0.677 45.228 45.100 -0.915 0.000 0.749 79 G HN 0.865 nan 8.290 nan 0.000 0.512 80 V N -1.470 118.286 119.914 -0.263 0.000 3.359 80 V HA 0.221 4.341 4.120 0.000 0.000 0.204 80 V C 1.702 177.729 176.094 -0.111 0.000 1.410 80 V CA 1.811 64.049 62.300 -0.103 0.000 1.303 80 V CB 0.643 32.457 31.823 -0.015 0.000 1.198 80 V HN 0.838 nan 8.190 nan 0.000 0.531 81 T N -1.105 113.382 114.554 -0.110 0.000 3.339 81 T HA 0.484 4.835 4.350 0.000 0.000 0.292 81 T C 0.070 174.697 174.700 -0.121 0.000 1.012 81 T CA 0.391 62.436 62.100 -0.091 0.000 0.937 81 T CB 0.143 68.987 68.868 -0.040 0.000 1.164 81 T HN 0.553 nan 8.240 nan 0.000 0.509 82 S N -0.646 114.915 115.700 -0.231 0.000 2.607 82 S HA 0.838 5.308 4.470 0.000 0.000 0.273 82 S C 0.309 174.591 174.600 -0.529 0.000 1.148 82 S CA -0.518 57.522 58.200 -0.267 0.000 0.833 82 S CB 1.335 64.437 63.200 -0.165 0.000 1.130 82 S HN 0.456 nan 8.310 nan 0.000 0.470 83 G N 0.005 108.529 108.800 -0.460 0.000 2.508 83 G HA2 0.596 4.556 3.960 0.000 0.000 0.278 83 G HA3 0.596 4.556 3.960 0.000 0.000 0.278 83 G C -1.030 173.448 174.900 -0.702 0.000 1.389 83 G CA -0.845 43.853 45.100 -0.671 0.000 1.050 83 G HN 0.558 nan 8.290 nan 0.000 0.522 84 F N -0.881 119.039 119.950 -0.050 0.000 2.507 84 F HA 0.568 5.096 4.527 0.000 0.000 0.327 84 F C 1.196 177.088 175.800 0.155 0.000 1.068 84 F CA 0.387 58.415 58.000 0.046 0.000 0.965 84 F CB 1.649 40.710 39.000 0.101 0.000 1.192 84 F HN 1.001 nan 8.300 nan 0.000 0.476 85 G N 1.071 110.144 108.800 0.455 0.000 2.614 85 G HA2 -0.150 3.811 3.960 0.000 0.000 0.303 85 G HA3 -0.150 3.811 3.960 0.000 0.000 0.303 85 G C 0.572 175.567 174.900 0.159 0.000 1.270 85 G CA -0.302 44.935 45.100 0.229 0.000 0.988 85 G HN 1.201 nan 8.290 nan 0.000 0.551 89 N N -0.322 118.394 118.700 0.026 0.000 2.280 89 N HA 0.220 4.961 4.740 0.000 0.000 0.192 89 N C -0.215 175.291 175.510 -0.007 0.000 1.109 89 N CA 0.060 53.120 53.050 0.017 0.000 0.855 89 N CB 0.657 39.158 38.487 0.022 0.000 0.974 89 N HN 0.078 nan 8.380 nan 0.000 0.482 90 V N 1.776 121.671 119.914 -0.031 0.000 2.385 90 V HA 0.435 4.556 4.120 0.000 0.000 0.269 90 V C 0.589 176.643 176.094 -0.066 0.000 1.043 90 V CA -0.946 61.324 62.300 -0.050 0.000 0.906 90 V CB 0.577 32.358 31.823 -0.069 0.000 0.995 90 V HN 0.340 nan 8.190 nan 0.000 0.467 91 A N 6.870 129.662 122.820 -0.047 0.000 2.371 91 A HA 0.696 5.016 4.320 0.000 0.000 0.257 91 A C -0.283 177.263 177.584 -0.063 0.000 1.089 91 A CA -0.178 51.829 52.037 -0.049 0.000 0.794 91 A CB 0.487 19.471 19.000 -0.028 0.000 1.029 91 A HN 0.785 nan 8.150 nan 0.000 0.488 92 I N 1.867 122.393 120.570 -0.073 0.000 2.607 92 I HA 0.435 4.605 4.170 0.000 0.000 0.290 92 I C 0.016 176.101 176.117 -0.053 0.000 1.129 92 I CA -0.228 61.030 61.300 -0.070 0.000 1.042 92 I CB 1.951 39.893 38.000 -0.096 0.000 1.242 92 I HN 0.798 nan 8.210 nan 0.000 0.421 93 S N 6.432 122.109 115.700 -0.039 0.000 2.592 93 S HA 0.297 4.767 4.470 0.000 0.000 0.271 93 S C 1.246 175.829 174.600 -0.028 0.000 1.326 93 S CA -0.223 57.959 58.200 -0.030 0.000 1.024 93 S CB 1.453 64.639 63.200 -0.023 0.000 0.921 93 S HN 0.874 nan 8.310 nan 0.000 0.527 94 R N 0.906 121.390 120.500 -0.026 0.000 2.133 94 R HA -0.208 4.133 4.340 0.000 0.000 0.247 94 R C 1.984 178.273 176.300 -0.018 0.000 1.151 94 R CA 1.981 58.067 56.100 -0.024 0.000 0.971 94 R CB -0.485 29.800 30.300 -0.025 0.000 0.866 94 R HN 0.824 nan 8.270 nan 0.000 0.447 95 E N 0.212 120.403 120.200 -0.016 0.000 2.077 95 E HA -0.184 4.167 4.350 0.000 0.000 0.193 95 E C 1.054 177.650 176.600 -0.006 0.000 0.989 95 E CA 1.189 57.583 56.400 -0.011 0.000 0.800 95 E CB 0.105 29.799 29.700 -0.010 0.000 0.746 95 E HN 0.462 nan 8.360 nan 0.000 0.452 96 Q N -0.910 118.885 119.800 -0.008 0.000 2.222 96 Q HA 0.199 4.540 4.340 0.000 0.000 0.206 96 Q C 1.172 177.174 176.000 0.002 0.000 0.877 96 Q CA 0.255 56.058 55.803 -0.001 0.000 0.958 96 Q CB 0.932 29.668 28.738 -0.004 0.000 1.075 96 Q HN 0.222 nan 8.270 nan 0.000 0.483 97 A N -0.017 122.801 122.820 -0.004 0.000 1.968 97 A HA -0.100 4.220 4.320 0.000 0.000 0.217 97 A C 2.280 179.873 177.584 0.016 0.000 1.169 97 A CA 1.608 53.642 52.037 -0.004 0.000 0.638 97 A CB -0.126 18.865 19.000 -0.015 0.000 0.812 97 A HN 0.314 nan 8.150 nan 0.000 0.446 98 S N -0.595 115.115 115.700 0.017 0.000 2.345 98 S HA -0.165 4.305 4.470 0.000 0.000 0.219 98 S C 2.051 176.680 174.600 0.048 0.000 1.031 98 S CA 1.651 59.867 58.200 0.026 0.000 0.984 98 S CB -0.357 62.853 63.200 0.018 0.000 0.874 98 S HN 0.511 nan 8.310 nan 0.000 0.451 99 E N 1.204 121.433 120.200 0.049 0.000 2.108 99 E HA -0.190 4.160 4.350 0.000 0.000 0.203 99 E C 1.919 178.584 176.600 0.108 0.000 1.022 99 E CA 1.513 57.955 56.400 0.070 0.000 0.823 99 E CB -0.864 28.867 29.700 0.051 0.000 0.744 99 E HN 0.465 nan 8.360 nan 0.000 0.456 100 L N 0.608 121.893 121.223 0.103 0.000 2.021 100 L HA -0.275 4.065 4.340 0.000 0.000 0.215 100 L C 2.169 179.193 176.870 0.257 0.000 1.074 100 L CA 2.106 57.049 54.840 0.171 0.000 0.760 100 L CB -0.535 41.580 42.059 0.092 0.000 0.889 100 L HN 0.210 nan 8.230 nan 0.000 0.433 101 Q N -1.569 118.334 119.800 0.170 0.000 2.172 101 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 101 Q C 2.179 178.221 176.000 0.070 0.000 0.964 101 Q CA 1.862 57.739 55.803 0.124 0.000 0.855 101 Q CB -0.621 28.158 28.738 0.068 0.000 0.918 101 Q HN 0.533 nan 8.270 nan 0.000 0.444 102 T N 1.576 116.188 114.554 0.097 0.000 2.777 102 T HA -0.109 4.241 4.350 0.000 0.000 0.266 102 T C 1.699 176.526 174.700 0.213 0.000 1.040 102 T CA 1.477 63.645 62.100 0.113 0.000 1.141 102 T CB -0.226 68.730 68.868 0.146 0.000 0.868 102 T HN 0.288 nan 8.240 nan 0.000 0.444 103 N N 0.597 119.457 118.700 0.268 0.000 2.331 103 N HA -0.008 4.733 4.740 0.000 0.000 0.180 103 N C 1.637 177.349 175.510 0.337 0.000 1.019 103 N CA 0.303 53.580 53.050 0.378 0.000 0.881 103 N CB -0.313 38.365 38.487 0.319 0.000 0.972 103 N HN 0.144 nan 8.380 nan 0.000 0.435 104 L N 0.067 121.384 121.223 0.156 0.000 2.042 104 L HA -0.122 4.218 4.340 0.000 0.000 0.210 104 L C 1.858 178.435 176.870 -0.488 0.000 1.076 104 L CA 1.423 56.103 54.840 -0.267 0.000 0.749 104 L CB -0.667 41.180 42.059 -0.354 0.000 0.893 104 L HN 0.040 nan 8.230 nan 0.000 0.432 105 V N -1.468 118.284 119.914 -0.271 0.000 2.332 105 V HA -0.332 3.788 4.120 0.000 0.000 0.248 105 V C 2.208 178.121 176.094 -0.301 0.000 1.055 105 V CA 2.290 64.391 62.300 -0.331 0.000 1.038 105 V CB -1.120 30.484 31.823 -0.365 0.000 0.651 105 V HN 0.558 nan 8.190 nan 0.000 0.450 106 W N 0.378 121.634 121.300 -0.072 0.000 2.353 106 W HA -0.176 4.484 4.660 0.001 0.000 0.319 106 W C 2.549 179.056 176.519 -0.020 0.000 1.207 106 W CA 1.853 59.194 57.345 -0.005 0.000 1.291 106 W CB -0.769 28.727 29.460 0.061 0.000 1.159 106 W HN 0.412 nan 8.180 nan 0.000 0.478 107 F N -0.708 119.363 119.950 0.201 0.000 2.293 107 F HA -0.030 4.497 4.527 0.000 0.000 0.300 107 F C 1.536 177.354 175.800 0.031 0.000 1.086 107 F CA 1.274 59.335 58.000 0.101 0.000 1.375 107 F CB -1.139 37.907 39.000 0.077 0.000 1.045 107 F HN -0.187 nan 8.300 nan 0.000 0.516 108 L N 0.703 121.584 121.223 -0.570 0.000 2.552 108 L HA 0.036 4.376 4.340 0.000 0.000 0.227 108 L C 1.299 178.066 176.870 -0.172 0.000 1.146 108 L CA 0.440 55.037 54.840 -0.406 0.000 0.858 108 L CB -0.513 41.216 42.059 -0.551 0.000 0.969 108 L HN 0.081 nan 8.230 nan 0.000 0.451 109 K N 1.298 121.599 120.400 -0.165 0.000 2.715 109 K HA 0.018 4.338 4.320 0.000 0.000 0.248 109 K C 0.372 176.968 176.600 -0.006 0.000 1.276 109 K CA 0.145 56.299 56.287 -0.222 0.000 1.209 109 K CB -0.247 32.036 32.500 -0.361 0.000 1.509 109 K HN 0.150 nan 8.250 nan 0.000 0.261 110 T N -2.204 112.399 114.554 0.083 0.000 3.339 110 T HA 0.208 4.558 4.350 0.000 0.000 0.292 110 T C 0.735 175.423 174.700 -0.020 0.000 1.012 110 T CA -0.683 61.442 62.100 0.041 0.000 0.937 110 T CB 0.790 69.684 68.868 0.042 0.000 1.164 110 T HN 0.246 nan 8.240 nan 0.000 0.509 111 G N 0.897 109.665 108.800 -0.052 0.000 2.690 111 G HA2 0.546 4.506 3.960 0.000 0.000 0.239 111 G HA3 0.546 4.506 3.960 0.000 0.000 0.239 111 G C -0.184 174.308 174.900 -0.680 0.000 1.233 111 G CA -0.051 44.826 45.100 -0.371 0.000 0.847 111 G HN 0.915 nan 8.290 nan 0.000 0.588 112 A N -0.809 121.798 122.820 -0.355 0.000 2.602 112 A HA 1.025 5.345 4.320 0.000 0.000 0.290 112 A C 0.402 178.048 177.584 0.103 0.000 1.114 112 A CA 0.502 52.476 52.037 -0.106 0.000 0.683 112 A CB 1.097 20.195 19.000 0.163 0.000 1.281 112 A HN 2.738 nan 8.150 nan 0.000 0.416 113 G N 0.466 109.347 108.800 0.134 0.000 2.615 113 G HA2 -0.083 3.877 3.960 0.000 0.000 0.218 113 G HA3 -0.083 3.877 3.960 0.000 0.000 0.218 113 G C -0.454 174.411 174.900 -0.058 0.000 1.339 113 G CA -0.243 44.778 45.100 -0.133 0.000 0.884 113 G HN 1.162 nan 8.290 nan 0.000 0.559 114 N N 0.992 119.563 118.700 -0.216 0.000 2.415 114 N HA 0.252 4.993 4.740 0.000 0.000 0.248 114 N C 0.451 175.823 175.510 -0.229 0.000 1.271 114 N CA 0.028 52.969 53.050 -0.181 0.000 0.913 114 N CB 0.372 38.755 38.487 -0.172 0.000 1.129 114 N HN 0.482 nan 8.380 nan 0.000 0.444 115 K N 1.283 121.512 120.400 -0.285 0.000 2.237 115 K HA 0.277 4.597 4.320 0.000 0.000 0.270 115 K C 0.440 176.894 176.600 -0.244 0.000 1.015 115 K CA -0.409 55.666 56.287 -0.353 0.000 0.949 115 K CB 0.737 32.954 32.500 -0.471 0.000 0.976 115 K HN 0.393 nan 8.250 nan 0.000 0.472 116 L N 3.563 124.669 121.223 -0.196 0.000 2.483 116 L HA 0.055 4.395 4.340 0.000 0.000 0.276 116 L C -1.734 175.048 176.870 -0.147 0.000 1.213 116 L CA -1.582 53.173 54.840 -0.142 0.000 0.843 116 L CB -0.220 41.791 42.059 -0.079 0.000 1.107 116 L HN 0.303 nan 8.230 nan 0.000 0.487 117 P HA 0.087 nan 4.420 nan 0.000 0.271 117 P C 0.767 178.020 177.300 -0.079 0.000 1.216 117 P CA -0.300 62.741 63.100 -0.100 0.000 0.776 117 P CB 0.618 32.273 31.700 -0.075 0.000 0.881 118 L N 1.628 122.807 121.223 -0.074 0.000 2.187 118 L HA -0.243 4.097 4.340 0.000 0.000 0.213 118 L C 2.321 179.173 176.870 -0.030 0.000 1.100 118 L CA 1.801 56.614 54.840 -0.044 0.000 0.765 118 L CB -0.965 41.074 42.059 -0.033 0.000 0.904 118 L HN 0.436 nan 8.230 nan 0.000 0.437 119 A N 0.075 122.873 122.820 -0.037 0.000 1.940 119 A HA -0.230 4.090 4.320 0.000 0.000 0.219 119 A C 1.913 179.476 177.584 -0.035 0.000 1.176 119 A CA 2.002 54.016 52.037 -0.038 0.000 0.631 119 A CB -0.438 18.537 19.000 -0.042 0.000 0.814 119 A HN 0.361 nan 8.150 nan 0.000 0.446 120 D N -0.431 119.948 120.400 -0.035 0.000 2.219 120 D HA -0.059 4.581 4.640 0.000 0.000 0.205 120 D C 2.003 178.298 176.300 -0.007 0.000 0.970 120 D CA 1.254 55.238 54.000 -0.028 0.000 0.851 120 D CB -0.198 40.578 40.800 -0.041 0.000 0.943 120 D HN 0.283 nan 8.370 nan 0.000 0.488 121 V N 0.834 120.747 119.914 -0.002 0.000 2.407 121 V HA -0.127 3.993 4.120 0.000 0.000 0.245 121 V C 2.441 178.545 176.094 0.017 0.000 1.041 121 V CA 1.075 63.388 62.300 0.021 0.000 1.040 121 V CB -0.326 31.518 31.823 0.036 0.000 0.671 121 V HN 0.067 nan 8.190 nan 0.000 0.455 122 R N 0.540 121.043 120.500 0.005 0.000 2.096 122 R HA -0.193 4.147 4.340 0.000 0.000 0.240 122 R C 2.504 178.796 176.300 -0.013 0.000 1.139 122 R CA 1.675 57.775 56.100 -0.001 0.000 0.952 122 R CB -0.762 29.530 30.300 -0.014 0.000 0.854 122 R HN 0.528 nan 8.270 nan 0.000 0.436 123 A N 1.708 124.515 122.820 -0.022 0.000 1.873 123 A HA -0.123 4.197 4.320 0.000 0.000 0.218 123 A C 1.539 179.112 177.584 -0.019 0.000 1.193 123 A CA 1.528 53.548 52.037 -0.028 0.000 0.629 123 A CB -0.923 18.058 19.000 -0.032 0.000 0.826 123 A HN 0.473 nan 8.150 nan 0.000 0.447 127 L N 0.345 121.533 121.223 -0.058 0.000 2.093 127 L HA -0.042 4.299 4.340 0.000 0.000 0.208 127 L C 2.602 179.401 176.870 -0.119 0.000 1.085 127 L CA 1.493 56.293 54.840 -0.068 0.000 0.755 127 L CB -0.637 41.394 42.059 -0.046 0.000 0.904 127 L HN 0.343 nan 8.230 nan 0.000 0.435 128 R N 1.185 121.594 120.500 -0.151 0.000 2.075 128 R HA -0.077 4.263 4.340 0.000 0.000 0.232 128 R C 2.248 178.286 176.300 -0.437 0.000 1.126 128 R CA 1.725 57.646 56.100 -0.297 0.000 0.963 128 R CB -0.772 29.394 30.300 -0.224 0.000 0.858 128 R HN 0.274 nan 8.270 nan 0.000 0.435 129 A N 0.284 122.976 122.820 -0.214 0.000 1.908 129 A HA -0.215 4.106 4.320 0.000 0.000 0.218 129 A C 2.092 179.623 177.584 -0.088 0.000 1.181 129 A CA 1.940 53.910 52.037 -0.111 0.000 0.627 129 A CB -0.882 18.089 19.000 -0.048 0.000 0.818 129 A HN 0.544 nan 8.150 nan 0.000 0.445 130 N N -0.460 118.185 118.700 -0.092 0.000 2.142 130 N HA -0.132 4.609 4.740 0.000 0.000 0.186 130 N C 1.985 177.462 175.510 -0.055 0.000 1.023 130 N CA 1.658 54.675 53.050 -0.055 0.000 0.852 130 N CB -0.266 38.191 38.487 -0.050 0.000 0.998 130 N HN 0.337 nan 8.380 nan 0.000 0.424 131 S N -0.861 114.772 115.700 -0.112 0.000 2.368 131 S HA -0.168 4.302 4.470 0.000 0.000 0.226 131 S C 0.553 175.161 174.600 0.014 0.000 1.044 131 S CA 1.098 59.245 58.200 -0.087 0.000 1.062 131 S CB -0.621 62.474 63.200 -0.174 0.000 0.931 131 S HN 0.512 nan 8.310 nan 0.000 0.440 135 G N 1.198 110.025 108.800 0.044 0.000 2.149 135 G HA2 -0.274 3.686 3.960 0.000 0.000 0.235 135 G HA3 -0.274 3.686 3.960 0.000 0.000 0.235 135 G C 0.444 175.354 174.900 0.016 0.000 1.018 135 G CA 0.562 45.678 45.100 0.026 0.000 0.728 135 G HN 0.529 nan 8.290 nan 0.000 0.508 136 A N -0.794 122.043 122.820 0.029 0.000 2.564 136 A HA 0.752 5.072 4.320 0.000 0.000 0.279 136 A C 1.616 179.217 177.584 0.028 0.000 1.232 136 A CA 1.369 53.416 52.037 0.017 0.000 0.950 136 A CB 0.306 19.325 19.000 0.031 0.000 1.138 136 A HN 0.727 nan 8.150 nan 0.000 0.526 137 S N -1.101 114.617 115.700 0.030 0.000 2.526 137 S HA 0.376 4.846 4.470 0.000 0.000 0.220 137 S C 1.228 175.819 174.600 -0.016 0.000 1.017 137 S CA 0.477 58.693 58.200 0.026 0.000 0.930 137 S CB 0.480 63.711 63.200 0.051 0.000 0.856 137 S HN 1.632 nan 8.310 nan 0.000 0.497 138 G N 2.294 111.081 108.800 -0.021 0.000 2.272 138 G HA2 -0.253 3.707 3.960 0.000 0.000 0.280 138 G HA3 -0.253 3.707 3.960 0.000 0.000 0.280 138 G C -0.185 174.681 174.900 -0.057 0.000 1.067 138 G CA 0.395 45.489 45.100 -0.010 0.000 0.902 138 G HN 0.565 nan 8.290 nan 0.000 0.500 139 I N -0.676 119.822 120.570 -0.120 0.000 2.474 139 I HA 0.616 4.787 4.170 0.000 0.000 0.294 139 I C 0.732 176.779 176.117 -0.116 0.000 1.005 139 I CA -1.611 59.587 61.300 -0.171 0.000 1.113 139 I CB 0.863 38.630 38.000 -0.389 0.000 1.289 139 I HN 0.161 nan 8.210 nan 0.000 0.436 140 R N 4.961 125.408 120.500 -0.088 0.000 2.538 140 R HA -0.030 4.311 4.340 0.000 0.000 0.282 140 R C 0.999 177.266 176.300 -0.056 0.000 1.009 140 R CA -0.123 55.942 56.100 -0.058 0.000 1.063 140 R CB 0.465 30.735 30.300 -0.049 0.000 0.945 140 R HN 0.640 nan 8.270 nan 0.000 0.414 141 L N 3.642 124.845 121.223 -0.033 0.000 2.081 141 L HA -0.244 4.097 4.340 0.000 0.000 0.212 141 L C 1.961 178.819 176.870 -0.021 0.000 1.080 141 L CA 1.993 56.822 54.840 -0.019 0.000 0.754 141 L CB -0.440 41.614 42.059 -0.008 0.000 0.893 141 L HN 0.720 nan 8.230 nan 0.000 0.433 142 E N -1.088 119.097 120.200 -0.026 0.000 2.209 142 E HA -0.255 4.096 4.350 0.000 0.000 0.196 142 E C 2.011 178.584 176.600 -0.045 0.000 0.993 142 E CA 1.161 57.544 56.400 -0.028 0.000 0.819 142 E CB -0.101 29.583 29.700 -0.026 0.000 0.745 142 E HN 0.461 nan 8.360 nan 0.000 0.477 143 L N 0.547 121.736 121.223 -0.057 0.000 2.209 143 L HA 0.031 4.372 4.340 0.000 0.000 0.207 143 L C 1.868 178.703 176.870 -0.059 0.000 1.094 143 L CA 1.122 55.915 54.840 -0.078 0.000 0.790 143 L CB -0.157 41.848 42.059 -0.091 0.000 0.932 143 L HN 0.184 nan 8.230 nan 0.000 0.447 144 I N -0.845 119.714 120.570 -0.018 0.000 2.546 144 I HA -0.214 3.956 4.170 0.000 0.000 0.255 144 I C 2.222 178.333 176.117 -0.010 0.000 1.163 144 I CA 0.720 62.034 61.300 0.024 0.000 1.457 144 I CB -0.259 37.778 38.000 0.061 0.000 1.092 144 I HN 0.138 nan 8.210 nan 0.000 0.434 145 K N 1.111 121.499 120.400 -0.021 0.000 2.228 145 K HA -0.050 4.270 4.320 0.000 0.000 0.202 145 K C 1.291 177.876 176.600 -0.025 0.000 1.051 145 K CA 0.496 56.775 56.287 -0.013 0.000 0.960 145 K CB -0.011 32.485 32.500 -0.007 0.000 0.743 145 K HN -0.041 nan 8.250 nan 0.000 0.458 149 I N 1.353 121.966 120.570 0.072 0.000 2.142 149 I HA -0.196 3.974 4.170 0.000 0.000 0.240 149 I C 2.255 178.472 176.117 0.166 0.000 1.078 149 I CA 1.574 62.942 61.300 0.112 0.000 1.343 149 I CB -0.321 37.762 38.000 0.139 0.000 1.046 149 I HN 0.140 nan 8.210 nan 0.000 0.405 150 F N 0.522 120.421 119.950 -0.086 0.000 2.095 150 F HA -0.288 4.240 4.527 0.000 0.000 0.298 150 F C 2.436 178.166 175.800 -0.115 0.000 1.104 150 F CA 1.045 58.968 58.000 -0.128 0.000 1.232 150 F CB -0.259 38.674 39.000 -0.112 0.000 0.987 150 F HN 0.011 nan 8.300 nan 0.000 0.475 151 L N -0.187 121.107 121.223 0.119 0.000 2.012 151 L HA -0.280 4.061 4.340 0.000 0.000 0.210 151 L C 2.016 178.887 176.870 0.002 0.000 1.073 151 L CA 1.226 56.088 54.840 0.038 0.000 0.748 151 L CB -0.636 41.438 42.059 0.025 0.000 0.891 151 L HN 0.150 nan 8.230 nan 0.000 0.431 152 N N -0.183 118.521 118.700 0.008 0.000 2.396 152 N HA -0.058 4.682 4.740 0.000 0.000 0.180 152 N C 1.588 177.086 175.510 -0.020 0.000 1.028 152 N CA 1.218 54.266 53.050 -0.002 0.000 0.893 152 N CB -0.061 38.431 38.487 0.009 0.000 0.967 152 N HN 0.280 nan 8.380 nan 0.000 0.440 153 A N -0.227 122.560 122.820 -0.054 0.000 2.195 153 A HA 0.416 4.736 4.320 0.000 0.000 0.210 153 A C 1.378 178.853 177.584 -0.181 0.000 1.165 153 A CA 0.685 52.657 52.037 -0.109 0.000 0.806 153 A CB -0.245 18.647 19.000 -0.179 0.000 0.847 153 A HN 0.246 nan 8.150 nan 0.000 0.482 154 G N -0.828 107.875 108.800 -0.162 0.000 2.182 154 G HA2 -0.166 3.794 3.960 0.000 0.000 0.248 154 G HA3 -0.166 3.794 3.960 0.000 0.000 0.248 154 G C -0.016 174.694 174.900 -0.318 0.000 1.042 154 G CA 0.160 45.165 45.100 -0.158 0.000 0.775 154 G HN 0.850 nan 8.290 nan 0.000 0.501 155 V N 1.116 120.737 119.914 -0.488 0.000 2.364 155 V HA 0.599 4.719 4.120 0.000 0.000 0.272 155 V C 0.503 176.447 176.094 -0.249 0.000 1.036 155 V CA 0.157 62.070 62.300 -0.645 0.000 0.880 155 V CB 1.479 32.523 31.823 -1.298 0.000 0.991 155 V HN 0.348 nan 8.190 nan 0.000 0.460 156 T N 7.541 122.033 114.554 -0.104 0.000 2.809 156 T HA 0.383 4.734 4.350 0.000 0.000 0.296 156 T C -2.663 172.115 174.700 0.131 0.000 1.015 156 T CA -1.417 60.711 62.100 0.046 0.000 0.954 156 T CB 1.613 70.509 68.868 0.046 0.000 0.950 156 T HN 0.360 nan 8.240 nan 0.000 0.450 157 P HA 0.069 nan 4.420 nan 0.000 0.266 157 P C -0.600 176.870 177.300 0.284 0.000 1.195 157 P CA -0.346 62.887 63.100 0.221 0.000 0.768 157 P CB 0.228 32.056 31.700 0.214 0.000 0.838 158 Y N 1.634 121.960 120.300 0.043 0.000 2.442 158 Y HA 0.244 4.794 4.550 0.000 0.000 0.330 158 Y C 0.720 176.560 175.900 -0.101 0.000 1.129 158 Y CA -0.222 57.839 58.100 -0.064 0.000 1.365 158 Y CB 0.116 38.513 38.460 -0.105 0.000 1.233 158 Y HN 0.032 nan 8.280 nan 0.000 0.529 159 V N 5.224 125.094 119.914 -0.072 0.000 2.709 159 V HA 0.350 4.470 4.120 0.000 0.000 0.308 159 V C -0.751 175.213 176.094 -0.218 0.000 1.062 159 V CA -1.495 60.730 62.300 -0.126 0.000 0.901 159 V CB 1.501 33.341 31.823 0.027 0.000 1.003 159 V HN 0.537 nan 8.190 nan 0.000 0.425 160 Y N 1.791 121.919 120.300 -0.285 0.000 2.326 160 Y HA 0.218 4.768 4.550 0.000 0.000 0.324 160 Y C 1.666 177.524 175.900 -0.071 0.000 1.291 160 Y CA -0.172 57.801 58.100 -0.213 0.000 1.348 160 Y CB 0.993 39.303 38.460 -0.249 0.000 1.294 160 Y HN 0.824 nan 8.280 nan 0.000 0.525 161 E N 0.375 120.572 120.200 -0.004 0.000 2.299 161 E HA 0.026 4.377 4.350 0.000 0.000 0.193 161 E C -0.666 176.048 176.600 0.189 0.000 0.998 161 E CA 0.625 56.986 56.400 -0.065 0.000 0.851 161 E CB 0.088 29.555 29.700 -0.390 0.000 0.795 161 E HN 0.433 nan 8.360 nan 0.000 0.492 162 F N -0.755 119.346 119.950 0.252 0.000 2.522 162 F HA 0.598 5.125 4.527 0.000 0.000 0.324 162 F C 1.104 176.944 175.800 0.066 0.000 1.077 162 F CA -0.535 57.569 58.000 0.173 0.000 0.944 162 F CB 2.496 41.551 39.000 0.092 0.000 1.175 162 F HN 0.047 nan 8.300 nan 0.000 0.468 163 G N 0.676 109.607 108.800 0.218 0.000 3.033 163 G HA2 -0.146 3.814 3.960 0.000 0.000 0.208 163 G HA3 -0.146 3.814 3.960 0.000 0.000 0.208 163 G C -0.402 174.462 174.900 -0.060 0.000 1.006 163 G CA -0.159 44.963 45.100 0.038 0.000 0.808 163 G HN 0.671 nan 8.290 nan 0.000 0.499 164 S N 0.674 116.285 115.700 -0.150 0.000 2.449 164 S HA 0.612 5.082 4.470 0.000 0.000 0.310 164 S C 1.126 175.731 174.600 0.008 0.000 1.096 164 S CA -0.341 57.736 58.200 -0.204 0.000 1.095 164 S CB 0.739 63.559 63.200 -0.633 0.000 1.007 164 S HN 0.902 nan 8.310 nan 0.000 0.474 165 I N 2.507 123.085 120.570 0.013 0.000 3.861 165 I HA 0.517 4.687 4.170 0.000 0.000 0.329 165 I C 0.910 177.064 176.117 0.060 0.000 1.321 165 I CA -0.252 61.078 61.300 0.051 0.000 1.126 165 I CB -0.995 37.019 38.000 0.024 0.000 1.018 165 I HN 0.794 nan 8.210 nan 0.000 0.407 171 L N -0.171 120.988 121.223 -0.106 0.000 1.997 171 L HA -0.271 4.069 4.340 0.000 0.000 0.227 171 L C 2.382 179.172 176.870 -0.133 0.000 1.087 171 L CA 1.754 56.511 54.840 -0.137 0.000 0.797 171 L CB -0.578 41.387 42.059 -0.157 0.000 0.902 171 L HN 0.107 nan 8.230 nan 0.000 0.441 172 V N -0.545 119.298 119.914 -0.117 0.000 2.307 172 V HA -0.138 3.982 4.120 0.000 0.000 0.245 172 V C -0.314 175.832 176.094 0.086 0.000 1.045 172 V CA 1.951 64.229 62.300 -0.036 0.000 1.024 172 V CB -1.456 30.353 31.823 -0.024 0.000 0.651 172 V HN 0.333 nan 8.190 nan 0.000 0.449 173 P HA -0.092 nan 4.420 nan 0.000 0.218 173 P C 1.773 179.142 177.300 0.115 0.000 1.149 173 P CA 1.281 64.400 63.100 0.031 0.000 0.817 173 P CB -0.010 31.607 31.700 -0.139 0.000 0.785 174 L N -0.751 120.489 121.223 0.028 0.000 2.395 174 L HA -0.055 4.286 4.340 0.000 0.000 0.218 174 L C 2.352 179.214 176.870 -0.013 0.000 1.130 174 L CA 1.159 56.005 54.840 0.010 0.000 0.826 174 L CB -0.765 41.277 42.059 -0.028 0.000 0.941 174 L HN 0.089 nan 8.230 nan 0.000 0.451 175 S N -1.191 114.502 115.700 -0.012 0.000 2.402 175 S HA -0.177 4.293 4.470 0.000 0.000 0.229 175 S C 1.862 176.402 174.600 -0.101 0.000 1.021 175 S CA 0.710 58.836 58.200 -0.123 0.000 0.974 175 S CB -0.558 62.523 63.200 -0.199 0.000 0.800 175 S HN 0.407 nan 8.310 nan 0.000 0.484 176 Y N 1.367 121.705 120.300 0.064 0.000 2.220 176 Y HA 0.156 4.707 4.550 0.000 0.000 0.291 176 Y C 2.295 178.197 175.900 0.003 0.000 1.129 176 Y CA 0.866 59.078 58.100 0.187 0.000 1.161 176 Y CB -0.404 38.207 38.460 0.251 0.000 0.997 176 Y HN 0.212 nan 8.280 nan 0.000 0.522 177 I N -0.590 120.051 120.570 0.120 0.000 2.179 177 I HA -0.321 3.850 4.170 0.000 0.000 0.242 177 I C 2.241 178.269 176.117 -0.147 0.000 1.088 177 I CA 1.730 63.034 61.300 0.007 0.000 1.357 177 I CB -0.532 37.474 38.000 0.009 0.000 1.051 177 I HN 0.185 nan 8.210 nan 0.000 0.409 178 T N 0.106 114.539 114.554 -0.202 0.000 2.701 178 T HA -0.120 4.230 4.350 0.000 0.000 0.263 178 T C 1.949 176.378 174.700 -0.451 0.000 1.040 178 T CA 1.527 63.456 62.100 -0.285 0.000 1.147 178 T CB -0.893 67.831 68.868 -0.240 0.000 0.865 178 T HN 0.557 nan 8.240 nan 0.000 0.426 179 G N 0.956 109.305 108.800 -0.752 0.000 2.450 179 G HA2 -0.199 3.762 3.960 0.000 0.000 0.220 179 G HA3 -0.199 3.762 3.960 0.000 0.000 0.220 179 G C 1.880 176.168 174.900 -1.021 0.000 1.130 179 G CA 1.159 45.470 45.100 -1.315 0.000 0.760 179 G HN 0.486 nan 8.290 nan 0.000 0.557 180 S N 0.388 115.690 115.700 -0.662 0.000 2.355 180 S HA -0.005 4.465 4.470 0.000 0.000 0.222 180 S C 2.307 176.857 174.600 -0.085 0.000 1.031 180 S CA 0.846 58.939 58.200 -0.179 0.000 0.993 180 S CB -0.259 62.982 63.200 0.068 0.000 0.859 180 S HN 0.319 nan 8.310 nan 0.000 0.453 181 L N 1.383 122.430 121.223 -0.294 0.000 2.046 181 L HA -0.059 4.281 4.340 0.000 0.000 0.208 181 L C 2.233 178.937 176.870 -0.278 0.000 1.077 181 L CA 1.243 55.757 54.840 -0.543 0.000 0.747 181 L CB -0.583 41.106 42.059 -0.615 0.000 0.896 181 L HN 0.434 nan 8.230 nan 0.000 0.432 182 I N -2.887 117.540 120.570 -0.238 0.000 3.684 182 I HA 0.290 4.461 4.170 0.000 0.000 0.304 182 I C 1.164 177.218 176.117 -0.104 0.000 1.278 182 I CA 0.432 61.636 61.300 -0.160 0.000 1.272 182 I CB -0.458 37.438 38.000 -0.173 0.000 1.029 182 I HN 0.223 nan 8.210 nan 0.000 0.458 183 G N 2.675 111.413 108.800 -0.102 0.000 2.338 183 G HA2 -0.298 3.662 3.960 0.000 0.000 0.296 183 G HA3 -0.298 3.662 3.960 0.000 0.000 0.296 183 G C 0.481 175.361 174.900 -0.033 0.000 1.040 183 G CA 0.548 45.629 45.100 -0.032 0.000 1.004 183 G HN 0.483 nan 8.290 nan 0.000 0.509 184 L N -0.402 120.739 121.223 -0.136 0.000 2.131 184 L HA 0.290 4.631 4.340 0.000 0.000 0.210 184 L C 0.915 177.872 176.870 0.145 0.000 1.092 184 L CA 2.502 57.314 54.840 -0.047 0.000 0.759 184 L CB -0.050 41.864 42.059 -0.241 0.000 0.903 184 L HN 0.599 nan 8.230 nan 0.000 0.435 185 D N -3.835 116.697 120.400 0.221 0.000 2.706 185 D HA 0.234 4.874 4.640 0.000 0.000 0.227 185 D C -2.403 174.034 176.300 0.228 0.000 1.233 185 D CA -0.847 53.317 54.000 0.274 0.000 0.768 185 D CB 1.462 42.449 40.800 0.312 0.000 1.490 185 D HN -0.316 nan 8.370 nan 0.000 0.458 186 P HA -0.022 nan 4.420 nan 0.000 0.234 186 P C 0.878 178.217 177.300 0.064 0.000 1.167 186 P CA 0.597 63.758 63.100 0.102 0.000 0.763 186 P CB 0.055 31.802 31.700 0.078 0.000 0.835 187 S N -1.648 114.064 115.700 0.021 0.000 2.461 187 S HA -0.034 4.436 4.470 0.000 0.000 0.228 187 S C 0.614 175.103 174.600 -0.184 0.000 1.005 187 S CA 0.049 58.190 58.200 -0.099 0.000 0.942 187 S CB -1.249 61.853 63.200 -0.163 0.000 0.776 187 S HN -0.036 nan 8.310 nan 0.000 0.514 188 F N 3.079 123.006 119.950 -0.039 0.000 2.504 188 F HA 0.428 4.956 4.527 0.000 0.000 0.369 188 F C 0.940 176.712 175.800 -0.048 0.000 1.082 188 F CA -0.283 57.700 58.000 -0.029 0.000 1.216 188 F CB 0.602 39.553 39.000 -0.081 0.000 1.108 188 F HN -0.110 nan 8.300 nan 0.000 0.554 189 K N 3.000 123.438 120.400 0.063 0.000 2.221 189 K HA 0.807 5.127 4.320 0.000 0.000 0.243 189 K C -0.715 175.662 176.600 -0.371 0.000 0.968 189 K CA -0.819 55.315 56.287 -0.256 0.000 0.846 189 K CB 2.387 34.564 32.500 -0.539 0.000 1.141 189 K HN 0.442 nan 8.250 nan 0.000 0.434 190 V N -2.425 117.211 119.914 -0.463 0.000 3.114 190 V HA 0.435 4.556 4.120 0.000 0.000 0.308 190 V C -1.114 174.883 176.094 -0.163 0.000 1.168 190 V CA -1.126 61.038 62.300 -0.226 0.000 1.015 190 V CB 2.161 33.934 31.823 -0.083 0.000 1.050 190 V HN 0.726 nan 8.190 nan 0.000 0.433 191 D N 1.693 122.184 120.400 0.151 0.000 2.280 191 D HA 0.386 5.027 4.640 0.000 0.000 0.243 191 D C -1.008 175.335 176.300 0.072 0.000 1.129 191 D CA -0.115 54.005 54.000 0.201 0.000 0.848 191 D CB 0.979 41.926 40.800 0.244 0.000 1.107 191 D HN 0.619 nan 8.370 nan 0.000 0.471 192 F N 4.773 124.702 119.950 -0.035 0.000 2.291 192 F HA 0.253 4.780 4.527 0.000 0.000 0.368 192 F C 0.191 175.966 175.800 -0.042 0.000 1.085 192 F CA -1.009 56.946 58.000 -0.075 0.000 1.165 192 F CB 0.176 39.118 39.000 -0.097 0.000 1.429 192 F HN 0.382 nan 8.300 nan 0.000 0.503 193 N N 4.181 123.013 118.700 0.219 0.000 2.699 193 N HA -0.238 4.502 4.740 0.000 0.000 0.256 193 N C 0.968 176.543 175.510 0.109 0.000 0.993 193 N CA 1.316 54.453 53.050 0.145 0.000 0.759 193 N CB -0.998 37.590 38.487 0.168 0.000 0.906 193 N HN 1.113 nan 8.380 nan 0.000 0.541 194 G N -1.348 107.511 108.800 0.097 0.000 2.234 194 G HA2 -0.330 3.631 3.960 0.000 0.000 0.235 194 G HA3 -0.330 3.631 3.960 0.000 0.000 0.235 194 G C 0.004 174.952 174.900 0.081 0.000 0.997 194 G CA 0.530 45.673 45.100 0.073 0.000 0.623 194 G HN 0.493 nan 8.290 nan 0.000 0.514 195 K N 1.342 121.801 120.400 0.098 0.000 2.227 195 K HA 0.532 4.852 4.320 0.000 0.000 0.280 195 K C 0.440 177.105 176.600 0.109 0.000 1.041 195 K CA -0.423 55.911 56.287 0.078 0.000 0.905 195 K CB 1.877 34.394 32.500 0.028 0.000 1.068 195 K HN 0.432 nan 8.250 nan 0.000 0.470 199 A N 0.026 122.891 122.820 0.074 0.000 1.873 199 A HA 0.137 4.457 4.320 0.000 0.000 0.215 199 A C -0.614 177.025 177.584 0.093 0.000 1.186 199 A CA 1.733 53.826 52.037 0.094 0.000 0.616 199 A CB -1.664 17.404 19.000 0.114 0.000 0.823 199 A HN 0.592 nan 8.150 nan 0.000 0.442 200 P HA -0.141 nan 4.420 nan 0.000 0.216 200 P C 1.373 178.714 177.300 0.068 0.000 1.153 200 P CA 2.038 65.182 63.100 0.075 0.000 0.858 200 P CB -0.313 31.430 31.700 0.071 0.000 0.789 201 T N -1.110 113.479 114.554 0.059 0.000 2.867 201 T HA -0.064 4.286 4.350 0.000 0.000 0.268 201 T C 1.875 176.619 174.700 0.074 0.000 1.057 201 T CA 1.372 63.499 62.100 0.046 0.000 1.136 201 T CB -0.784 68.098 68.868 0.023 0.000 0.874 201 T HN 0.069 nan 8.240 nan 0.000 0.466 202 A N 1.596 124.483 122.820 0.112 0.000 1.873 202 A HA 0.064 4.385 4.320 0.000 0.000 0.215 202 A C 2.307 179.983 177.584 0.154 0.000 1.186 202 A CA 0.973 53.130 52.037 0.200 0.000 0.616 202 A CB -0.798 18.227 19.000 0.042 0.000 0.823 202 A HN 0.433 nan 8.150 nan 0.000 0.442 203 L N -0.821 120.470 121.223 0.113 0.000 2.012 203 L HA -0.248 4.093 4.340 0.000 0.000 0.210 203 L C 2.925 179.853 176.870 0.097 0.000 1.073 203 L CA 1.844 56.758 54.840 0.123 0.000 0.748 203 L CB -0.713 41.419 42.059 0.122 0.000 0.891 203 L HN 0.422 nan 8.230 nan 0.000 0.431 204 R N -0.213 120.332 120.500 0.076 0.000 2.080 204 R HA -0.210 4.130 4.340 0.000 0.000 0.236 204 R C 2.248 178.579 176.300 0.051 0.000 1.137 204 R CA 1.418 57.550 56.100 0.053 0.000 0.943 204 R CB -0.504 29.817 30.300 0.035 0.000 0.846 204 R HN 0.496 nan 8.270 nan 0.000 0.431 205 Q N 0.508 120.342 119.800 0.057 0.000 2.173 205 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 205 Q C 1.935 177.998 176.000 0.105 0.000 0.989 205 Q CA 1.350 57.179 55.803 0.044 0.000 0.872 205 Q CB -0.104 28.628 28.738 -0.010 0.000 0.909 205 Q HN 0.399 nan 8.270 nan 0.000 0.420 206 L N -0.143 121.166 121.223 0.144 0.000 2.592 206 L HA 0.056 4.396 4.340 0.000 0.000 0.227 206 L C -0.218 176.702 176.870 0.083 0.000 1.127 206 L CA -0.105 54.809 54.840 0.123 0.000 0.884 206 L CB -0.165 41.957 42.059 0.105 0.000 1.065 206 L HN 0.240 nan 8.230 nan 0.000 0.457 207 N N 0.261 119.002 118.700 0.068 0.000 2.721 207 N HA -0.192 4.549 4.740 0.000 0.000 0.249 207 N C -0.733 174.809 175.510 0.054 0.000 1.072 207 N CA 0.380 53.460 53.050 0.051 0.000 0.710 207 N CB -1.106 37.405 38.487 0.040 0.000 0.993 207 N HN 0.249 nan 8.380 nan 0.000 0.547 208 L N 0.051 121.316 121.223 0.069 0.000 2.331 208 L HA 0.516 4.856 4.340 0.000 0.000 0.275 208 L C 0.625 177.529 176.870 0.056 0.000 1.022 208 L CA -0.908 53.973 54.840 0.067 0.000 0.812 208 L CB 1.642 43.760 42.059 0.098 0.000 1.257 208 L HN 0.161 nan 8.230 nan 0.000 0.435 209 S N 1.501 117.226 115.700 0.040 0.000 2.586 209 S HA 0.502 4.973 4.470 0.000 0.000 0.274 209 S C -2.517 172.100 174.600 0.027 0.000 1.281 209 S CA -1.401 56.818 58.200 0.031 0.000 1.035 209 S CB 0.794 64.006 63.200 0.021 0.000 0.962 209 S HN 0.301 nan 8.310 nan 0.000 0.512 210 P HA 0.221 nan 4.420 nan 0.000 0.267 210 P C -0.841 176.458 177.300 -0.002 0.000 1.200 210 P CA -0.099 63.009 63.100 0.013 0.000 0.772 210 P CB 0.304 32.017 31.700 0.022 0.000 0.855 211 L N 1.631 122.840 121.223 -0.024 0.000 2.334 211 L HA 0.484 4.825 4.340 0.000 0.000 0.270 211 L C 0.476 177.328 176.870 -0.030 0.000 1.018 211 L CA -0.483 54.338 54.840 -0.032 0.000 0.811 211 L CB 1.619 43.646 42.059 -0.054 0.000 1.271 211 L HN 0.247 nan 8.230 nan 0.000 0.443 212 T N 2.392 116.933 114.554 -0.021 0.000 2.794 212 T HA 0.477 4.827 4.350 0.000 0.000 0.280 212 T C -0.108 174.578 174.700 -0.023 0.000 0.987 212 T CA -0.527 61.566 62.100 -0.012 0.000 0.993 212 T CB 1.031 69.900 68.868 0.003 0.000 0.939 212 T HN 0.249 nan 8.240 nan 0.000 0.449 213 L N 3.864 125.072 121.223 -0.025 0.000 2.455 213 L HA 0.305 4.645 4.340 0.000 0.000 0.272 213 L C 0.220 177.082 176.870 -0.013 0.000 1.174 213 L CA -0.331 54.491 54.840 -0.030 0.000 0.869 213 L CB 0.187 42.225 42.059 -0.035 0.000 1.130 213 L HN 0.402 nan 8.230 nan 0.000 0.474 214 L N 4.493 125.704 121.223 -0.020 0.000 2.454 214 L HA 0.424 4.765 4.340 0.000 0.000 0.256 214 L C -2.061 174.807 176.870 -0.003 0.000 1.136 214 L CA -2.089 52.744 54.840 -0.011 0.000 0.804 214 L CB 0.385 42.434 42.059 -0.017 0.000 1.181 214 L HN 0.347 nan 8.230 nan 0.000 0.469 215 P HA -0.046 nan 4.420 nan 0.000 0.265 215 P C 0.122 177.430 177.300 0.014 0.000 1.187 215 P CA 0.338 63.444 63.100 0.010 0.000 0.766 215 P CB 0.507 32.208 31.700 0.002 0.000 0.820 216 K N 1.692 122.109 120.400 0.029 0.000 3.483 216 K HA -0.303 4.017 4.320 0.000 0.000 0.288 216 K C 1.163 177.772 176.600 0.015 0.000 0.894 216 K CA 1.825 58.134 56.287 0.037 0.000 1.245 216 K CB -1.259 31.268 32.500 0.044 0.000 1.368 216 K HN 0.522 nan 8.250 nan 0.000 0.477 217 E N -0.438 119.754 120.200 -0.013 0.000 2.160 217 E HA -0.147 4.203 4.350 0.000 0.000 0.195 217 E C 1.814 178.384 176.600 -0.052 0.000 0.991 217 E CA 1.181 57.549 56.400 -0.052 0.000 0.810 217 E CB -0.189 29.473 29.700 -0.063 0.000 0.742 217 E HN 0.604 nan 8.360 nan 0.000 0.466 218 G N 1.341 110.121 108.800 -0.033 0.000 2.421 218 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 218 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 218 G C 1.565 176.429 174.900 -0.059 0.000 1.171 218 G CA 0.286 45.348 45.100 -0.062 0.000 0.775 218 G HN 0.098 nan 8.290 nan 0.000 0.543 219 L N 0.811 122.027 121.223 -0.011 0.000 1.994 219 L HA 0.061 4.401 4.340 0.000 0.000 0.208 219 L C 2.567 179.463 176.870 0.044 0.000 1.071 219 L CA 0.559 55.410 54.840 0.018 0.000 0.745 219 L CB -0.693 41.420 42.059 0.090 0.000 0.892 219 L HN 0.346 nan 8.230 nan 0.000 0.431 224 G N -0.562 108.301 108.800 0.105 0.000 2.561 224 G HA2 0.325 4.285 3.960 0.000 0.000 0.310 224 G HA3 0.325 4.285 3.960 0.000 0.000 0.310 224 G C -0.099 174.861 174.900 0.100 0.000 1.292 224 G CA -0.085 45.091 45.100 0.127 0.000 0.811 224 G HN 0.132 nan 8.290 nan 0.000 0.482 225 T N -2.050 112.554 114.554 0.082 0.000 3.248 225 T HA 0.363 4.714 4.350 0.000 0.000 0.271 225 T C 1.462 176.198 174.700 0.060 0.000 1.005 225 T CA 0.862 63.010 62.100 0.079 0.000 0.902 225 T CB 0.341 69.255 68.868 0.076 0.000 1.102 225 T HN 0.258 nan 8.240 nan 0.000 0.548 226 S N 0.964 116.688 115.700 0.039 0.000 2.368 226 S HA 0.050 4.521 4.470 0.000 0.000 0.224 226 S C 1.253 175.882 174.600 0.049 0.000 1.029 226 S CA 0.416 58.628 58.200 0.020 0.000 0.988 226 S CB -0.270 62.918 63.200 -0.020 0.000 0.838 226 S HN 0.570 nan 8.310 nan 0.000 0.462 230 G N 1.777 110.589 108.800 0.020 0.000 2.421 230 G HA2 -0.049 3.911 3.960 0.000 0.000 0.216 230 G HA3 -0.049 3.911 3.960 0.000 0.000 0.216 230 G C 1.405 176.301 174.900 -0.005 0.000 1.171 230 G CA 1.048 46.150 45.100 0.003 0.000 0.775 230 G HN 0.537 nan 8.290 nan 0.000 0.543 231 I N 1.519 122.084 120.570 -0.010 0.000 2.163 231 I HA -0.191 3.979 4.170 0.000 0.000 0.243 231 I C 3.264 179.371 176.117 -0.016 0.000 1.085 231 I CA 1.139 62.418 61.300 -0.035 0.000 1.347 231 I CB -0.214 37.731 38.000 -0.092 0.000 1.044 231 I HN 0.233 nan 8.210 nan 0.000 0.408 232 A N 0.604 123.422 122.820 -0.003 0.000 1.969 232 A HA -0.085 4.235 4.320 0.000 0.000 0.218 232 A C 2.539 180.143 177.584 0.034 0.000 1.169 232 A CA 1.624 53.671 52.037 0.016 0.000 0.635 232 A CB -0.752 18.263 19.000 0.024 0.000 0.810 232 A HN 0.429 nan 8.150 nan 0.000 0.445 233 A N 0.575 123.411 122.820 0.027 0.000 1.877 233 A HA -0.205 4.115 4.320 0.000 0.000 0.216 233 A C 1.930 179.550 177.584 0.060 0.000 1.186 233 A CA 1.800 53.858 52.037 0.035 0.000 0.620 233 A CB -0.601 18.403 19.000 0.006 0.000 0.822 233 A HN 0.539 nan 8.150 nan 0.000 0.443 234 N N -0.128 118.591 118.700 0.032 0.000 2.188 234 N HA -0.129 4.611 4.740 0.000 0.000 0.184 234 N C 1.735 177.317 175.510 0.121 0.000 1.018 234 N CA 1.513 54.596 53.050 0.054 0.000 0.858 234 N CB -0.906 37.582 38.487 0.002 0.000 0.989 234 N HN 0.525 nan 8.380 nan 0.000 0.426 235 C N 0.280 119.626 119.300 0.078 0.000 2.413 235 C HA -0.042 4.418 4.460 0.000 0.000 0.276 235 C C 2.853 177.910 174.990 0.111 0.000 1.236 235 C CA 0.456 59.523 59.018 0.082 0.000 1.735 235 C CB -0.921 26.846 27.740 0.045 0.000 2.031 235 C HN 0.222 nan 8.230 nan 0.000 0.474 236 V N -0.590 119.392 119.914 0.112 0.000 2.427 236 V HA -0.223 3.897 4.120 0.000 0.000 0.248 236 V C 2.033 178.202 176.094 0.126 0.000 1.051 236 V CA 2.054 64.419 62.300 0.109 0.000 1.048 236 V CB -1.023 30.855 31.823 0.092 0.000 0.666 236 V HN 0.580 nan 8.190 nan 0.000 0.456 237 Y N 1.871 122.187 120.300 0.028 0.000 2.081 237 Y HA -0.296 4.254 4.550 0.000 0.000 0.280 237 Y C 2.363 178.286 175.900 0.038 0.000 1.163 237 Y CA 2.312 60.428 58.100 0.026 0.000 1.135 237 Y CB -0.322 38.149 38.460 0.018 0.000 0.970 237 Y HN 0.310 nan 8.280 nan 0.000 0.498 238 D N -1.326 119.171 120.400 0.161 0.000 2.224 238 D HA -0.104 4.537 4.640 0.000 0.000 0.205 238 D C 2.061 178.395 176.300 0.056 0.000 0.965 238 D CA 1.647 55.694 54.000 0.078 0.000 0.852 238 D CB -0.305 40.580 40.800 0.143 0.000 0.947 238 D HN 0.401 nan 8.370 nan 0.000 0.494 239 T N 0.528 115.132 114.554 0.084 0.000 2.851 239 T HA -0.085 4.265 4.350 0.000 0.000 0.262 239 T C 1.950 176.694 174.700 0.074 0.000 1.043 239 T CA 0.684 62.856 62.100 0.120 0.000 1.140 239 T CB -0.092 68.849 68.868 0.122 0.000 0.872 239 T HN 0.139 nan 8.240 nan 0.000 0.446 240 Q N 0.478 120.280 119.800 0.004 0.000 2.112 240 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 240 Q C 2.258 178.235 176.000 -0.037 0.000 0.987 240 Q CA 1.453 57.233 55.803 -0.038 0.000 0.858 240 Q CB -0.438 28.248 28.738 -0.085 0.000 0.905 240 Q HN 0.526 nan 8.270 nan 0.000 0.420 241 I N 0.084 120.594 120.570 -0.099 0.000 2.179 241 I HA -0.290 3.880 4.170 0.000 0.000 0.242 241 I C 2.031 178.144 176.117 -0.007 0.000 1.088 241 I CA 1.072 62.318 61.300 -0.090 0.000 1.357 241 I CB -0.226 37.669 38.000 -0.176 0.000 1.051 241 I HN 0.208 nan 8.210 nan 0.000 0.409 242 L N -0.050 121.196 121.223 0.040 0.000 2.141 242 L HA -0.156 4.185 4.340 0.000 0.000 0.209 242 L C 2.569 179.527 176.870 0.147 0.000 1.094 242 L CA 1.229 56.103 54.840 0.056 0.000 0.763 242 L CB -0.774 41.347 42.059 0.104 0.000 0.908 242 L HN 0.221 nan 8.230 nan 0.000 0.437 243 T N -0.183 114.486 114.554 0.190 0.000 2.788 243 T HA -0.190 4.161 4.350 0.000 0.000 0.268 243 T C 1.997 176.813 174.700 0.194 0.000 1.044 243 T CA 1.390 63.614 62.100 0.208 0.000 1.139 243 T CB -0.170 68.784 68.868 0.144 0.000 0.867 243 T HN 0.464 nan 8.240 nan 0.000 0.454 244 A N 1.018 123.922 122.820 0.140 0.000 1.872 244 A HA 0.071 4.392 4.320 0.000 0.000 0.214 244 A C 2.268 179.901 177.584 0.081 0.000 1.187 244 A CA 0.924 53.043 52.037 0.136 0.000 0.614 244 A CB -0.659 18.399 19.000 0.097 0.000 0.826 244 A HN 0.502 nan 8.150 nan 0.000 0.442 245 I N 0.235 120.830 120.570 0.042 0.000 2.208 245 I HA -0.195 3.975 4.170 0.000 0.000 0.245 245 I C 1.985 178.109 176.117 0.010 0.000 1.097 245 I CA 0.474 61.776 61.300 0.004 0.000 1.363 245 I CB -0.692 37.286 38.000 -0.036 0.000 1.051 245 I HN 0.360 nan 8.210 nan 0.000 0.413 249 V N 1.619 121.513 119.914 -0.033 0.000 2.307 249 V HA -0.097 4.023 4.120 0.000 0.000 0.245 249 V C 2.422 178.469 176.094 -0.078 0.000 1.045 249 V CA 2.215 64.469 62.300 -0.077 0.000 1.024 249 V CB -0.698 31.034 31.823 -0.153 0.000 0.651 249 V HN 0.373 nan 8.190 nan 0.000 0.449 250 H N 0.463 119.520 119.070 -0.021 0.000 2.319 250 H HA -0.155 4.401 4.556 0.000 0.000 0.299 250 H C 2.421 177.732 175.328 -0.028 0.000 1.092 250 H CA 1.933 57.959 56.048 -0.037 0.000 1.302 250 H CB -0.586 29.144 29.762 -0.053 0.000 1.373 250 H HN 0.451 nan 8.280 nan 0.000 0.497 251 A N 1.077 123.937 122.820 0.066 0.000 1.948 251 A HA -0.155 4.166 4.320 0.000 0.000 0.220 251 A C 2.790 180.384 177.584 0.017 0.000 1.177 251 A CA 1.350 53.381 52.037 -0.010 0.000 0.636 251 A CB -0.944 18.016 19.000 -0.066 0.000 0.815 251 A HN 0.292 nan 8.150 nan 0.000 0.449 252 L N -0.598 120.640 121.223 0.026 0.000 2.046 252 L HA -0.193 4.147 4.340 0.000 0.000 0.208 252 L C 2.141 179.048 176.870 0.063 0.000 1.077 252 L CA 1.460 56.324 54.840 0.041 0.000 0.747 252 L CB -0.619 41.471 42.059 0.052 0.000 0.896 252 L HN 0.318 nan 8.230 nan 0.000 0.432 253 D N 0.205 120.646 120.400 0.068 0.000 2.123 253 D HA -0.189 4.451 4.640 0.000 0.000 0.196 253 D C 2.212 178.574 176.300 0.104 0.000 0.992 253 D CA 1.418 55.471 54.000 0.088 0.000 0.833 253 D CB -0.138 40.714 40.800 0.087 0.000 0.954 253 D HN 0.330 nan 8.370 nan 0.000 0.455 254 I N 0.674 121.310 120.570 0.110 0.000 2.315 254 I HA -0.247 3.923 4.170 0.000 0.000 0.248 254 I C 2.470 178.647 176.117 0.100 0.000 1.117 254 I CA 0.931 62.308 61.300 0.128 0.000 1.404 254 I CB -0.121 37.979 38.000 0.167 0.000 1.071 254 I HN -0.043 nan 8.210 nan 0.000 0.419 255 Q N 0.515 120.358 119.800 0.072 0.000 2.050 255 Q HA -0.191 4.150 4.340 0.000 0.000 0.202 255 Q C 2.468 178.502 176.000 0.056 0.000 0.980 255 Q CA 1.758 57.591 55.803 0.050 0.000 0.840 255 Q CB -0.351 28.400 28.738 0.021 0.000 0.898 255 Q HN 0.577 nan 8.270 nan 0.000 0.424 256 A N 0.519 123.382 122.820 0.071 0.000 2.024 256 A HA -0.133 4.187 4.320 0.000 0.000 0.220 256 A C 1.782 179.419 177.584 0.089 0.000 1.164 256 A CA 1.143 53.232 52.037 0.087 0.000 0.643 256 A CB -0.335 18.732 19.000 0.112 0.000 0.806 256 A HN 0.307 nan 8.150 nan 0.000 0.451 257 L N -1.252 120.023 121.223 0.088 0.000 2.640 257 L HA 0.170 4.510 4.340 0.000 0.000 0.230 257 L C 0.828 177.742 176.870 0.073 0.000 1.123 257 L CA 0.105 54.998 54.840 0.088 0.000 0.900 257 L CB -0.311 41.808 42.059 0.100 0.000 1.146 257 L HN 0.604 nan 8.230 nan 0.000 0.484 258 N N 1.154 119.892 118.700 0.064 0.000 2.727 258 N HA -0.146 4.594 4.740 0.000 0.000 0.249 258 N C 0.560 176.109 175.510 0.065 0.000 1.048 258 N CA 0.125 53.207 53.050 0.053 0.000 0.714 258 N CB -0.308 38.201 38.487 0.037 0.000 0.959 258 N HN 0.463 nan 8.380 nan 0.000 0.544 259 G N -0.217 108.635 108.800 0.086 0.000 2.651 259 G HA2 0.330 4.290 3.960 0.000 0.000 0.260 259 G HA3 0.330 4.290 3.960 0.000 0.000 0.260 259 G C -0.023 174.937 174.900 0.101 0.000 1.216 259 G CA 0.332 45.491 45.100 0.099 0.000 0.913 259 G HN 0.244 nan 8.290 nan 0.000 0.535 260 T N -1.461 113.146 114.554 0.090 0.000 2.902 260 T HA 0.249 4.599 4.350 0.000 0.000 0.283 260 T C 1.508 176.281 174.700 0.122 0.000 1.009 260 T CA -0.320 61.827 62.100 0.078 0.000 1.051 260 T CB 0.911 69.802 68.868 0.038 0.000 0.999 260 T HN 0.550 nan 8.240 nan 0.000 0.474 261 N N 2.929 121.721 118.700 0.153 0.000 2.457 261 N HA -0.083 4.657 4.740 0.000 0.000 0.180 261 N C 1.598 177.181 175.510 0.122 0.000 1.050 261 N CA 0.812 54.020 53.050 0.264 0.000 0.906 261 N CB -0.500 38.125 38.487 0.230 0.000 0.968 261 N HN 0.757 nan 8.380 nan 0.000 0.445 262 Q N 0.707 120.525 119.800 0.029 0.000 2.133 262 Q HA -0.168 4.172 4.340 0.000 0.000 0.208 262 Q C 1.290 177.233 176.000 -0.095 0.000 0.991 262 Q CA 2.154 57.970 55.803 0.021 0.000 0.867 262 Q CB -0.144 28.608 28.738 0.025 0.000 0.911 262 Q HN 0.492 nan 8.270 nan 0.000 0.417 263 S N 0.092 115.560 115.700 -0.386 0.000 2.423 263 S HA -0.171 4.300 4.470 0.000 0.000 0.238 263 S C 1.018 175.389 174.600 -0.383 0.000 1.028 263 S CA 1.281 59.139 58.200 -0.570 0.000 1.000 263 S CB -0.276 62.359 63.200 -0.940 0.000 0.797 263 S HN 0.392 nan 8.310 nan 0.000 0.487 264 F N 0.105 120.197 119.950 0.238 0.000 2.693 264 F HA 0.281 4.808 4.527 0.000 0.000 0.303 264 F C 1.092 177.051 175.800 0.265 0.000 1.097 264 F CA -0.988 57.141 58.000 0.215 0.000 1.330 264 F CB -0.665 38.349 39.000 0.024 0.000 1.067 264 F HN 0.185 nan 8.300 nan 0.000 0.565 265 H N 4.103 123.333 119.070 0.268 0.000 3.107 265 H HA -0.005 4.551 4.556 0.000 0.000 0.301 265 H C -1.557 173.959 175.328 0.314 0.000 0.981 265 H CA -1.135 55.047 56.048 0.224 0.000 1.443 265 H CB 1.156 30.999 29.762 0.134 0.000 1.479 265 H HN -0.032 nan 8.280 nan 0.000 0.564 266 P HA -0.238 nan 4.420 nan 0.000 0.218 266 P C 1.455 178.952 177.300 0.329 0.000 1.150 266 P CA 1.267 64.507 63.100 0.233 0.000 0.841 266 P CB -0.190 31.550 31.700 0.066 0.000 0.784 267 F N -0.378 119.833 119.950 0.435 0.000 2.146 267 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 267 F C 2.097 177.914 175.800 0.028 0.000 1.096 267 F CA 1.266 59.384 58.000 0.196 0.000 1.275 267 F CB -0.635 38.413 39.000 0.080 0.000 1.008 267 F HN -0.231 nan 8.300 nan 0.000 0.480 268 I N -0.222 120.400 120.570 0.088 0.000 2.113 268 I HA -0.361 3.810 4.170 0.000 0.000 0.238 268 I C 2.473 178.359 176.117 -0.384 0.000 1.070 268 I CA 1.599 62.756 61.300 -0.239 0.000 1.332 268 I CB -0.762 36.964 38.000 -0.457 0.000 1.044 268 I HN 0.185 nan 8.210 nan 0.000 0.402 269 H N 0.278 119.371 119.070 0.037 0.000 2.428 269 H HA -0.013 4.543 4.556 0.000 0.000 0.296 269 H C 1.807 177.119 175.328 -0.026 0.000 1.062 269 H CA 0.971 57.034 56.048 0.024 0.000 1.350 269 H CB -0.499 29.305 29.762 0.069 0.000 1.403 269 H HN 0.365 nan 8.280 nan 0.000 0.533 270 N N 0.949 119.656 118.700 0.012 0.000 2.289 270 N HA -0.108 4.632 4.740 0.000 0.000 0.184 270 N C 1.819 177.243 175.510 -0.143 0.000 1.016 270 N CA 1.236 54.254 53.050 -0.054 0.000 0.872 270 N CB -0.128 38.321 38.487 -0.064 0.000 0.973 270 N HN 0.404 nan 8.380 nan 0.000 0.433 271 S N -0.995 114.565 115.700 -0.234 0.000 2.575 271 S HA 0.131 4.601 4.470 0.000 0.000 0.215 271 S C 0.785 175.292 174.600 -0.154 0.000 0.966 271 S CA -0.064 57.989 58.200 -0.246 0.000 0.911 271 S CB 0.244 63.208 63.200 -0.393 0.000 0.780 271 S HN 0.129 nan 8.310 nan 0.000 0.514 272 K N 2.279 122.617 120.400 -0.104 0.000 3.146 272 K HA 0.309 4.630 4.320 0.000 0.000 0.168 272 K C -2.915 173.652 176.600 -0.055 0.000 1.075 272 K CA -1.597 54.653 56.287 -0.063 0.000 0.843 272 K CB 1.082 33.588 32.500 0.010 0.000 1.002 272 K HN 0.057 nan 8.250 nan 0.000 0.597 273 P HA 0.035 nan 4.420 nan 0.000 0.228 273 P C -0.801 176.428 177.300 -0.118 0.000 1.748 273 P CA -0.237 62.819 63.100 -0.075 0.000 0.909 273 P CB -0.311 31.346 31.700 -0.071 0.000 1.882 274 H N 1.456 120.544 119.070 0.030 0.000 2.886 274 H HA 0.033 4.589 4.556 0.001 0.000 0.329 274 H C -1.298 174.055 175.328 0.041 0.000 1.044 274 H CA -0.977 55.086 56.048 0.024 0.000 1.456 274 H CB 0.255 30.029 29.762 0.020 0.000 1.464 274 H HN 0.132 nan 8.280 nan 0.000 0.573 275 P HA -0.174 nan 4.420 nan 0.000 0.216 275 P C 1.683 179.064 177.300 0.134 0.000 1.157 275 P CA 1.764 64.925 63.100 0.101 0.000 0.880 275 P CB 0.010 31.740 31.700 0.049 0.000 0.791 276 G N -0.261 108.598 108.800 0.099 0.000 2.446 276 G HA2 -0.329 3.632 3.960 0.000 0.000 0.217 276 G HA3 -0.329 3.632 3.960 0.000 0.000 0.217 276 G C 1.695 176.708 174.900 0.189 0.000 1.168 276 G CA 1.090 46.246 45.100 0.092 0.000 0.771 276 G HN 0.370 nan 8.290 nan 0.000 0.551 277 Q N -0.176 119.723 119.800 0.165 0.000 2.020 277 Q HA 0.036 4.377 4.340 0.000 0.000 0.198 277 Q C 2.593 178.662 176.000 0.115 0.000 0.974 277 Q CA 0.779 56.674 55.803 0.154 0.000 0.829 277 Q CB -0.292 28.570 28.738 0.205 0.000 0.894 277 Q HN 0.457 nan 8.270 nan 0.000 0.433 278 L N -0.192 121.121 121.223 0.150 0.000 2.010 278 L HA -0.256 4.084 4.340 0.000 0.000 0.219 278 L C 2.364 179.293 176.870 0.099 0.000 1.077 278 L CA 2.150 57.058 54.840 0.114 0.000 0.773 278 L CB -0.696 41.437 42.059 0.123 0.000 0.892 278 L HN 0.510 nan 8.230 nan 0.000 0.436 279 W N 0.350 121.637 121.300 -0.022 0.000 2.355 279 W HA -0.239 4.421 4.660 0.000 0.000 0.309 279 W C 2.550 179.034 176.519 -0.059 0.000 1.206 279 W CA 1.995 59.320 57.345 -0.034 0.000 1.284 279 W CB -0.244 29.201 29.460 -0.024 0.000 1.145 279 W HN 0.145 nan 8.180 nan 0.000 0.502 280 A N 0.856 123.753 122.820 0.129 0.000 1.865 280 A HA -0.148 4.172 4.320 0.000 0.000 0.217 280 A C 2.104 179.513 177.584 -0.292 0.000 1.191 280 A CA 2.937 54.909 52.037 -0.107 0.000 0.623 280 A CB -1.667 17.391 19.000 0.097 0.000 0.826 280 A HN 0.474 nan 8.150 nan 0.000 0.444 281 A N -0.286 122.374 122.820 -0.267 0.000 1.902 281 A HA -0.206 4.114 4.320 0.000 0.000 0.217 281 A C 1.844 179.279 177.584 -0.247 0.000 1.181 281 A CA 2.241 54.092 52.037 -0.309 0.000 0.623 281 A CB -0.801 17.683 19.000 -0.859 0.000 0.818 281 A HN 0.603 nan 8.150 nan 0.000 0.443 282 D N -0.908 119.341 120.400 -0.251 0.000 2.144 282 D HA -0.096 4.544 4.640 0.000 0.000 0.199 282 D C 1.334 177.441 176.300 -0.321 0.000 0.984 282 D CA 0.726 54.592 54.000 -0.223 0.000 0.834 282 D CB -0.043 40.652 40.800 -0.176 0.000 0.955 282 D HN 0.424 nan 8.370 nan 0.000 0.465 286 S N 1.793 117.401 115.700 -0.154 0.000 2.368 286 S HA -0.026 4.445 4.470 0.000 0.000 0.225 286 S C 1.984 176.513 174.600 -0.119 0.000 1.030 286 S CA 1.427 59.551 58.200 -0.127 0.000 0.999 286 S CB -0.173 62.943 63.200 -0.141 0.000 0.844 286 S HN 0.304 nan 8.310 nan 0.000 0.459 287 L N 0.800 121.929 121.223 -0.157 0.000 2.046 287 L HA -0.022 4.318 4.340 0.000 0.000 0.208 287 L C 1.953 178.762 176.870 -0.103 0.000 1.077 287 L CA 1.105 55.865 54.840 -0.133 0.000 0.747 287 L CB -0.307 41.651 42.059 -0.168 0.000 0.896 287 L HN 0.281 nan 8.230 nan 0.000 0.432 288 L N -0.748 120.408 121.223 -0.112 0.000 2.567 288 L HA 0.189 4.529 4.340 0.000 0.000 0.225 288 L C 1.175 178.024 176.870 -0.035 0.000 1.119 288 L CA -0.564 54.237 54.840 -0.064 0.000 0.871 288 L CB -0.240 41.789 42.059 -0.051 0.000 1.036 288 L HN 0.099 nan 8.230 nan 0.000 0.459 289 A N 0.717 123.511 122.820 -0.044 0.000 2.520 289 A HA 0.115 4.435 4.320 0.000 0.000 0.245 289 A C 0.766 178.335 177.584 -0.024 0.000 1.072 289 A CA 0.038 52.058 52.037 -0.028 0.000 0.761 289 A CB -0.051 18.928 19.000 -0.035 0.000 1.004 289 A HN 0.597 nan 8.150 nan 0.000 0.499 290 N N -0.175 118.516 118.700 -0.014 0.000 2.850 290 N HA -0.151 4.589 4.740 0.000 0.000 0.249 290 N C 0.226 175.727 175.510 -0.016 0.000 1.060 290 N CA 1.349 54.391 53.050 -0.014 0.000 0.825 290 N CB -1.732 36.745 38.487 -0.017 0.000 1.132 290 N HN 0.869 nan 8.380 nan 0.000 0.564 291 S N 0.103 115.794 115.700 -0.014 0.000 2.576 291 S HA 0.171 4.641 4.470 0.000 0.000 0.276 291 S C 1.159 175.752 174.600 -0.012 0.000 1.339 291 S CA 0.012 58.202 58.200 -0.017 0.000 1.039 291 S CB 0.841 64.035 63.200 -0.010 0.000 0.902 291 S HN 0.105 nan 8.310 nan 0.000 0.516 292 Q N 3.436 123.224 119.800 -0.020 0.000 2.247 292 Q HA 0.286 4.626 4.340 0.000 0.000 0.204 292 Q C 0.872 176.862 176.000 -0.016 0.000 0.872 292 Q CA 0.231 56.023 55.803 -0.018 0.000 0.951 292 Q CB 0.159 28.883 28.738 -0.024 0.000 1.099 292 Q HN 0.726 nan 8.270 nan 0.000 0.501 293 L N -0.243 120.974 121.223 -0.011 0.000 2.642 293 L HA 0.157 4.497 4.340 0.000 0.000 0.233 293 L C 0.911 177.792 176.870 0.018 0.000 1.077 293 L CA -0.060 54.778 54.840 -0.003 0.000 0.879 293 L CB 0.432 42.486 42.059 -0.010 0.000 1.151 293 L HN -0.087 nan 8.230 nan 0.000 0.495 294 V N -1.053 118.877 119.914 0.027 0.000 2.775 294 V HA 0.261 4.381 4.120 0.000 0.000 0.299 294 V C 0.503 176.622 176.094 0.042 0.000 1.062 294 V CA -0.849 61.481 62.300 0.050 0.000 1.063 294 V CB 0.473 32.339 31.823 0.072 0.000 0.994 294 V HN 0.221 nan 8.190 nan 0.000 0.483 295 R N 2.552 123.082 120.500 0.049 0.000 2.399 295 R HA 0.124 4.464 4.340 0.000 0.000 0.324 295 R C -0.438 175.890 176.300 0.047 0.000 1.030 295 R CA -0.126 55.998 56.100 0.040 0.000 0.984 295 R CB -0.038 30.287 30.300 0.041 0.000 0.961 295 R HN 0.872 nan 8.270 nan 0.000 0.433 296 D N 3.416 123.837 120.400 0.035 0.000 2.393 296 D HA 0.037 4.677 4.640 0.000 0.000 0.232 296 D C -0.309 176.012 176.300 0.035 0.000 1.192 296 D CA 0.017 54.041 54.000 0.039 0.000 0.882 296 D CB 0.498 41.314 40.800 0.026 0.000 1.038 296 D HN 0.479 nan 8.370 nan 0.000 0.499 297 E N 3.210 123.440 120.200 0.050 0.000 3.729 297 E HA 0.133 4.483 4.350 0.000 0.000 0.195 297 E C 1.102 177.744 176.600 0.069 0.000 1.005 297 E CA -0.031 56.393 56.400 0.041 0.000 1.356 297 E CB 0.618 30.340 29.700 0.037 0.000 1.138 297 E HN 0.440 nan 8.360 nan 0.000 0.450 298 L N 1.079 122.358 121.223 0.095 0.000 2.478 298 L HA -0.089 4.251 4.340 0.000 0.000 0.223 298 L C 1.555 178.522 176.870 0.161 0.000 1.140 298 L CA 0.717 55.667 54.840 0.183 0.000 0.842 298 L CB -0.081 42.063 42.059 0.141 0.000 0.953 298 L HN 0.263 nan 8.230 nan 0.000 0.452 299 D N -0.398 120.036 120.400 0.058 0.000 2.348 299 D HA -0.066 4.574 4.640 0.000 0.000 0.216 299 D C 1.478 177.743 176.300 -0.059 0.000 0.970 299 D CA 0.930 54.931 54.000 0.002 0.000 0.889 299 D CB -0.116 40.672 40.800 -0.021 0.000 0.912 299 D HN 0.192 nan 8.370 nan 0.000 0.524 300 G N -0.135 108.632 108.800 -0.055 0.000 2.130 300 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 300 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 300 G C 0.048 174.785 174.900 -0.272 0.000 0.999 300 G CA -0.107 44.926 45.100 -0.111 0.000 0.686 300 G HN 0.434 nan 8.290 nan 0.000 0.515 301 K N 1.842 122.125 120.400 -0.195 0.000 2.401 301 K HA 0.469 4.789 4.320 0.000 0.000 0.278 301 K C 0.686 177.141 176.600 -0.240 0.000 1.018 301 K CA 0.112 56.245 56.287 -0.256 0.000 0.981 301 K CB 0.079 32.508 32.500 -0.120 0.000 0.933 301 K HN 0.671 nan 8.250 nan 0.000 0.477 302 H N 1.372 120.392 119.070 -0.083 0.000 2.734 302 H HA 0.228 4.784 4.556 0.000 0.000 0.247 302 H C -1.198 174.046 175.328 -0.140 0.000 1.415 302 H CA -0.866 55.130 56.048 -0.088 0.000 1.514 302 H CB 0.004 29.718 29.762 -0.080 0.000 1.841 302 H HN 0.412 nan 8.280 nan 0.000 0.609 303 D N 1.432 121.798 120.400 -0.057 0.000 2.358 303 D HA 0.119 4.759 4.640 0.000 0.000 0.244 303 D C 0.497 176.746 176.300 -0.084 0.000 1.163 303 D CA -0.098 53.822 54.000 -0.134 0.000 0.945 303 D CB 0.941 41.699 40.800 -0.071 0.000 1.152 303 D HN 0.343 nan 8.370 nan 0.000 0.451 304 Y N 0.073 120.399 120.300 0.043 0.000 2.550 304 Y HA 0.106 4.656 4.550 0.001 0.000 0.343 304 Y C 1.283 177.200 175.900 0.029 0.000 1.245 304 Y CA 0.200 58.323 58.100 0.038 0.000 1.462 304 Y CB 0.534 39.014 38.460 0.032 0.000 1.340 304 Y HN -0.110 nan 8.280 nan 0.000 0.604 305 R N 1.603 122.224 120.500 0.202 0.000 2.637 305 R HA 0.390 4.730 4.340 0.000 0.000 0.291 305 R C -1.553 174.802 176.300 0.091 0.000 0.963 305 R CA -1.012 55.153 56.100 0.109 0.000 0.901 305 R CB 1.662 32.004 30.300 0.071 0.000 1.160 305 R HN 0.590 nan 8.270 nan 0.000 0.457 306 D N 0.306 120.738 120.400 0.053 0.000 2.490 306 D HA 0.178 4.818 4.640 0.000 0.000 0.232 306 D C 0.141 176.389 176.300 -0.086 0.000 1.053 306 D CA -0.501 53.528 54.000 0.048 0.000 0.914 306 D CB 1.146 42.003 40.800 0.094 0.000 1.431 306 D HN 0.560 nan 8.370 nan 0.000 0.483 307 H N -0.006 119.082 119.070 0.030 0.000 2.682 307 H HA 0.175 4.732 4.556 0.001 0.000 0.293 307 H C -0.173 175.179 175.328 0.040 0.000 1.080 307 H CA 0.026 56.089 56.048 0.025 0.000 1.189 307 H CB -0.039 29.731 29.762 0.012 0.000 1.311 307 H HN 0.117 nan 8.280 nan 0.000 0.599 308 E N 1.097 121.306 120.200 0.015 0.000 2.318 308 E HA 0.184 4.534 4.350 0.000 0.000 0.265 308 E C 0.326 176.971 176.600 0.075 0.000 1.069 308 E CA -1.014 55.408 56.400 0.037 0.000 0.893 308 E CB 1.557 31.262 29.700 0.008 0.000 1.076 308 E HN 0.097 nan 8.360 nan 0.000 0.414 309 L N 1.816 123.089 121.223 0.083 0.000 2.439 309 L HA 0.099 4.439 4.340 0.000 0.000 0.269 309 L C 1.725 178.647 176.870 0.087 0.000 1.179 309 L CA 0.561 55.452 54.840 0.084 0.000 0.828 309 L CB -0.128 41.976 42.059 0.075 0.000 1.106 309 L HN 0.627 nan 8.230 nan 0.000 0.467 310 I N 0.494 121.125 120.570 0.101 0.000 2.614 310 I HA -0.150 4.020 4.170 0.000 0.000 0.258 310 I C 0.630 176.776 176.117 0.049 0.000 1.189 310 I CA 0.790 62.151 61.300 0.101 0.000 1.462 310 I CB 0.134 38.212 38.000 0.129 0.000 1.092 310 I HN 0.672 nan 8.210 nan 0.000 0.442 311 Q N 0.501 120.324 119.800 0.039 0.000 2.348 311 Q HA 0.265 4.605 4.340 0.000 0.000 0.271 311 Q C -1.013 175.013 176.000 0.042 0.000 1.067 311 Q CA -1.053 54.762 55.803 0.020 0.000 0.839 311 Q CB 1.501 30.243 28.738 0.006 0.000 1.354 311 Q HN 0.014 nan 8.270 nan 0.000 0.447 312 D N 1.572 121.993 120.400 0.035 0.000 2.443 312 D HA 0.050 4.691 4.640 0.000 0.000 0.239 312 D C 0.096 176.442 176.300 0.076 0.000 1.136 312 D CA 0.324 54.355 54.000 0.052 0.000 0.879 312 D CB 0.678 41.502 40.800 0.041 0.000 1.195 312 D HN 0.208 nan 8.370 nan 0.000 0.443 313 R N 1.205 121.749 120.500 0.074 0.000 2.905 313 R HA -0.042 4.298 4.340 0.000 0.000 0.273 313 R C 1.082 177.499 176.300 0.194 0.000 1.033 313 R CA -0.309 55.843 56.100 0.087 0.000 1.182 313 R CB 0.156 30.440 30.300 -0.027 0.000 1.097 313 R HN 0.462 nan 8.270 nan 0.000 0.504 314 Y N 0.715 120.984 120.300 -0.052 0.000 2.128 314 Y HA -0.273 4.278 4.550 0.001 0.000 0.284 314 Y C 2.734 178.604 175.900 -0.050 0.000 1.154 314 Y CA 1.698 59.766 58.100 -0.054 0.000 1.149 314 Y CB -1.044 37.373 38.460 -0.071 0.000 0.976 314 Y HN 0.699 nan 8.280 nan 0.000 0.505 315 S N -0.396 115.380 115.700 0.127 0.000 2.423 315 S HA -0.225 4.246 4.470 0.000 0.000 0.238 315 S C 1.800 176.533 174.600 0.222 0.000 1.028 315 S CA 1.792 60.082 58.200 0.149 0.000 1.000 315 S CB -0.861 62.444 63.200 0.175 0.000 0.797 315 S HN 0.309 nan 8.310 nan 0.000 0.487 316 L N 0.631 121.951 121.223 0.162 0.000 2.189 316 L HA 0.391 4.731 4.340 0.000 0.000 0.199 316 L C 2.847 179.798 176.870 0.134 0.000 1.074 316 L CA 1.217 56.169 54.840 0.185 0.000 0.783 316 L CB -0.636 41.519 42.059 0.159 0.000 0.955 316 L HN 0.186 nan 8.230 nan 0.000 0.460 317 R N -0.875 119.648 120.500 0.038 0.000 2.115 317 R HA -0.062 4.278 4.340 0.000 0.000 0.226 317 R C 1.355 177.611 176.300 -0.074 0.000 1.100 317 R CA 1.245 57.301 56.100 -0.074 0.000 0.980 317 R CB -0.170 30.087 30.300 -0.071 0.000 0.875 317 R HN 0.392 nan 8.270 nan 0.000 0.445 318 C N 0.450 119.716 119.300 -0.056 0.000 2.780 318 C HA 0.226 4.686 4.460 0.000 0.000 0.287 318 C C 2.001 177.006 174.990 0.025 0.000 1.288 318 C CA -0.782 58.197 59.018 -0.065 0.000 1.713 318 C CB -1.164 26.462 27.740 -0.190 0.000 1.955 318 C HN 0.584 nan 8.230 nan 0.000 0.613 319 L N 2.908 124.188 121.223 0.096 0.000 1.991 319 L HA -0.163 4.177 4.340 0.000 0.000 0.221 319 L C -0.654 176.315 176.870 0.164 0.000 1.079 319 L CA 2.559 57.484 54.840 0.142 0.000 0.778 319 L CB -1.156 41.035 42.059 0.220 0.000 0.893 319 L HN 0.163 nan 8.230 nan 0.000 0.437 320 P HA -0.141 nan 4.420 nan 0.000 0.217 320 P C 1.296 178.675 177.300 0.131 0.000 1.151 320 P CA 1.244 64.428 63.100 0.140 0.000 0.828 320 P CB 0.009 31.744 31.700 0.060 0.000 0.788 321 Q N -1.722 118.161 119.800 0.139 0.000 2.124 321 Q HA -0.186 4.155 4.340 0.000 0.000 0.202 321 Q C 2.108 178.126 176.000 0.030 0.000 0.977 321 Q CA 1.455 57.305 55.803 0.079 0.000 0.850 321 Q CB -1.257 27.511 28.738 0.051 0.000 0.901 321 Q HN 0.338 nan 8.270 nan 0.000 0.429 322 Y N 0.102 120.350 120.300 -0.086 0.000 2.220 322 Y HA -0.068 4.482 4.550 0.000 0.000 0.291 322 Y C 1.506 177.345 175.900 -0.101 0.000 1.129 322 Y CA 1.164 59.182 58.100 -0.138 0.000 1.161 322 Y CB 0.130 38.427 38.460 -0.272 0.000 0.997 322 Y HN 0.028 nan 8.280 nan 0.000 0.522 323 L N -0.785 120.506 121.223 0.113 0.000 2.240 323 L HA 0.001 4.341 4.340 0.000 0.000 0.211 323 L C 2.632 179.491 176.870 -0.018 0.000 1.106 323 L CA 0.704 55.591 54.840 0.078 0.000 0.793 323 L CB -1.089 41.091 42.059 0.201 0.000 0.927 323 L HN 0.388 nan 8.230 nan 0.000 0.446 324 G N 1.706 110.500 108.800 -0.011 0.000 2.631 324 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 324 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 324 G C -0.740 174.077 174.900 -0.139 0.000 1.214 324 G CA 0.978 46.061 45.100 -0.028 0.000 0.785 324 G HN 0.304 nan 8.290 nan 0.000 0.596 325 P HA 0.001 nan 4.420 nan 0.000 0.219 325 P C 1.772 178.822 177.300 -0.418 0.000 1.146 325 P CA 0.725 63.660 63.100 -0.275 0.000 0.808 325 P CB -0.030 31.509 31.700 -0.269 0.000 0.779 326 I N -1.674 118.637 120.570 -0.431 0.000 2.333 326 I HA -0.151 4.020 4.170 0.000 0.000 0.246 326 I C 2.161 177.995 176.117 -0.472 0.000 1.106 326 I CA 0.976 61.917 61.300 -0.598 0.000 1.411 326 I CB -0.626 37.158 38.000 -0.360 0.000 1.082 326 I HN -0.196 nan 8.210 nan 0.000 0.420 327 V N 0.915 120.665 119.914 -0.273 0.000 2.261 327 V HA -0.303 3.817 4.120 0.000 0.000 0.246 327 V C 2.001 177.915 176.094 -0.300 0.000 1.047 327 V CA 2.067 64.201 62.300 -0.277 0.000 1.015 327 V CB -0.656 31.017 31.823 -0.250 0.000 0.642 327 V HN 0.383 nan 8.190 nan 0.000 0.446 328 D N 0.450 120.702 120.400 -0.247 0.000 2.178 328 D HA -0.078 4.562 4.640 0.000 0.000 0.202 328 D C 2.142 178.338 176.300 -0.174 0.000 0.974 328 D CA 1.444 55.333 54.000 -0.185 0.000 0.841 328 D CB -0.488 40.241 40.800 -0.119 0.000 0.953 328 D HN 0.475 nan 8.370 nan 0.000 0.478 329 G N 0.661 109.281 108.800 -0.300 0.000 2.394 329 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 329 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 329 G C 1.767 176.650 174.900 -0.029 0.000 1.176 329 G CA 0.186 45.151 45.100 -0.224 0.000 0.786 329 G HN 0.251 nan 8.290 nan 0.000 0.533 330 I N 0.911 121.378 120.570 -0.172 0.000 2.208 330 I HA -0.217 3.954 4.170 0.000 0.000 0.245 330 I C 3.004 179.106 176.117 -0.024 0.000 1.097 330 I CA 1.337 62.628 61.300 -0.015 0.000 1.363 330 I CB -0.266 37.694 38.000 -0.067 0.000 1.051 330 I HN 0.238 nan 8.210 nan 0.000 0.413 331 S N 0.186 115.827 115.700 -0.098 0.000 2.351 331 S HA -0.319 4.151 4.470 0.000 0.000 0.220 331 S C 2.041 176.625 174.600 -0.026 0.000 1.035 331 S CA 2.093 60.239 58.200 -0.091 0.000 1.031 331 S CB -0.269 62.844 63.200 -0.144 0.000 0.928 331 S HN 0.446 nan 8.310 nan 0.000 0.433 332 Q N 0.867 120.667 119.800 -0.001 0.000 2.062 332 Q HA -0.130 4.210 4.340 0.000 0.000 0.209 332 Q C 1.882 177.933 176.000 0.084 0.000 0.996 332 Q CA 2.373 58.205 55.803 0.048 0.000 0.859 332 Q CB -0.608 28.175 28.738 0.076 0.000 0.920 332 Q HN 0.720 nan 8.270 nan 0.000 0.415 333 I N 0.252 120.895 120.570 0.122 0.000 2.163 333 I HA -0.314 3.856 4.170 0.000 0.000 0.243 333 I C 2.357 178.522 176.117 0.080 0.000 1.085 333 I CA 1.070 62.449 61.300 0.133 0.000 1.347 333 I CB -0.688 37.415 38.000 0.170 0.000 1.044 333 I HN 0.364 nan 8.210 nan 0.000 0.408 334 A N 0.631 123.483 122.820 0.054 0.000 1.903 334 A HA -0.325 3.995 4.320 0.000 0.000 0.219 334 A C 2.392 179.984 177.584 0.014 0.000 1.191 334 A CA 2.291 54.347 52.037 0.031 0.000 0.638 334 A CB -0.687 18.319 19.000 0.010 0.000 0.823 334 A HN 0.370 nan 8.150 nan 0.000 0.451 335 K N -0.885 119.519 120.400 0.005 0.000 2.057 335 K HA -0.205 4.115 4.320 0.000 0.000 0.207 335 K C 2.330 178.911 176.600 -0.033 0.000 1.049 335 K CA 1.817 58.096 56.287 -0.013 0.000 0.931 335 K CB -0.159 32.334 32.500 -0.012 0.000 0.714 335 K HN 0.695 nan 8.250 nan 0.000 0.440 336 Q N -0.047 119.746 119.800 -0.013 0.000 2.096 336 Q HA -0.057 4.283 4.340 0.000 0.000 0.197 336 Q C 2.041 178.002 176.000 -0.066 0.000 0.964 336 Q CA 0.769 56.529 55.803 -0.071 0.000 0.838 336 Q CB 0.112 28.896 28.738 0.077 0.000 0.906 336 Q HN 0.259 nan 8.270 nan 0.000 0.444 337 I N 1.335 121.909 120.570 0.005 0.000 2.226 337 I HA -0.238 3.932 4.170 0.000 0.000 0.245 337 I C 1.975 178.081 176.117 -0.018 0.000 1.100 337 I CA 1.539 62.844 61.300 0.008 0.000 1.374 337 I CB -0.932 37.088 38.000 0.033 0.000 1.057 337 I HN 0.314 nan 8.210 nan 0.000 0.413 338 E N 0.709 120.896 120.200 -0.022 0.000 2.085 338 E HA -0.219 4.132 4.350 0.000 0.000 0.194 338 E C 2.344 178.914 176.600 -0.050 0.000 0.994 338 E CA 1.193 57.577 56.400 -0.028 0.000 0.801 338 E CB -0.078 29.610 29.700 -0.019 0.000 0.743 338 E HN 0.444 nan 8.360 nan 0.000 0.453 339 I N 0.719 121.239 120.570 -0.084 0.000 2.179 339 I HA -0.256 3.914 4.170 0.000 0.000 0.242 339 I C 2.510 178.567 176.117 -0.101 0.000 1.088 339 I CA 1.082 62.317 61.300 -0.109 0.000 1.357 339 I CB -0.078 37.816 38.000 -0.177 0.000 1.051 339 I HN 0.045 nan 8.210 nan 0.000 0.409 340 E N 1.407 121.545 120.200 -0.104 0.000 2.085 340 E HA -0.217 4.133 4.350 0.000 0.000 0.194 340 E C 2.054 178.633 176.600 -0.034 0.000 0.994 340 E CA 1.502 57.866 56.400 -0.061 0.000 0.801 340 E CB -0.262 29.424 29.700 -0.024 0.000 0.743 340 E HN 0.445 nan 8.360 nan 0.000 0.453 341 I N 0.736 121.288 120.570 -0.030 0.000 2.335 341 I HA -0.233 3.937 4.170 0.000 0.000 0.251 341 I C 1.140 177.238 176.117 -0.031 0.000 1.129 341 I CA 0.968 62.253 61.300 -0.025 0.000 1.402 341 I CB -0.176 37.811 38.000 -0.021 0.000 1.069 341 I HN 0.113 nan 8.210 nan 0.000 0.424 342 N N 0.185 118.864 118.700 -0.035 0.000 2.273 342 N HA 0.159 4.899 4.740 0.000 0.000 0.231 342 N C -0.227 175.264 175.510 -0.031 0.000 1.134 342 N CA 0.104 53.135 53.050 -0.032 0.000 0.856 342 N CB 0.761 39.229 38.487 -0.031 0.000 1.068 342 N HN 0.092 nan 8.380 nan 0.000 0.510 343 S N 0.032 115.713 115.700 -0.032 0.000 2.654 343 S HA 0.417 4.887 4.470 0.000 0.000 0.283 343 S C 0.415 175.011 174.600 -0.007 0.000 1.180 343 S CA -0.591 57.595 58.200 -0.024 0.000 1.021 343 S CB 2.387 65.567 63.200 -0.033 0.000 1.018 343 S HN -0.144 nan 8.310 nan 0.000 0.532 344 V N 2.693 122.612 119.914 0.009 0.000 2.408 344 V HA 0.256 4.376 4.120 0.000 0.000 0.267 344 V C 1.166 177.287 176.094 0.044 0.000 1.047 344 V CA -0.134 62.187 62.300 0.035 0.000 0.937 344 V CB 0.335 32.187 31.823 0.049 0.000 0.999 344 V HN 1.139 nan 8.190 nan 0.000 0.472 345 T N -1.053 113.537 114.554 0.059 0.000 3.084 345 T HA 0.142 4.492 4.350 0.000 0.000 0.270 345 T C 0.335 175.125 174.700 0.151 0.000 1.008 345 T CA -0.387 61.761 62.100 0.080 0.000 0.900 345 T CB -0.119 68.786 68.868 0.062 0.000 1.084 345 T HN 0.700 nan 8.240 nan 0.000 0.538 346 D N 1.788 122.287 120.400 0.165 0.000 2.469 346 D HA 0.419 5.059 4.640 0.000 0.000 0.278 346 D C -0.246 176.219 176.300 0.274 0.000 1.231 346 D CA -0.645 53.486 54.000 0.218 0.000 1.075 346 D CB 0.260 41.174 40.800 0.190 0.000 1.121 346 D HN 0.255 nan 8.370 nan 0.000 0.571 347 N N -1.745 117.126 118.700 0.286 0.000 2.521 347 N HA 0.343 5.084 4.740 0.000 0.000 0.269 347 N C -3.100 172.593 175.510 0.305 0.000 1.079 347 N CA -1.177 52.066 53.050 0.322 0.000 0.980 347 N CB 1.937 40.692 38.487 0.446 0.000 1.667 347 N HN 0.000 nan 8.380 nan 0.000 0.498 348 P HA 0.243 nan 4.420 nan 0.000 0.272 348 P C -0.664 176.755 177.300 0.197 0.000 1.230 348 P CA -0.228 63.054 63.100 0.304 0.000 0.788 348 P CB 0.716 32.635 31.700 0.366 0.000 0.949 349 L N 2.362 123.691 121.223 0.176 0.000 2.264 349 L HA 0.311 4.652 4.340 0.000 0.000 0.289 349 L C 0.007 176.868 176.870 -0.014 0.000 1.044 349 L CA -0.748 54.160 54.840 0.112 0.000 0.807 349 L CB 0.491 42.648 42.059 0.163 0.000 1.192 349 L HN 0.174 nan 8.230 nan 0.000 0.425 350 I N 2.933 123.459 120.570 -0.073 0.000 2.352 350 I HA 0.104 4.274 4.170 0.000 0.000 0.290 350 I C 0.080 176.060 176.117 -0.228 0.000 1.036 350 I CA -0.123 61.023 61.300 -0.256 0.000 1.336 350 I CB 0.907 38.771 38.000 -0.227 0.000 1.407 350 I HN 0.492 nan 8.210 nan 0.000 0.497 351 D N 6.457 126.653 120.400 -0.341 0.000 2.467 351 D HA 0.177 4.817 4.640 0.000 0.000 0.220 351 D C 1.123 177.275 176.300 -0.247 0.000 1.103 351 D CA -0.431 53.458 54.000 -0.184 0.000 0.886 351 D CB 1.189 41.958 40.800 -0.052 0.000 1.025 351 D HN 0.351 nan 8.370 nan 0.000 0.514 352 V N 1.638 121.451 119.914 -0.169 0.000 2.358 352 V HA -0.122 3.998 4.120 0.000 0.000 0.246 352 V C 1.494 177.555 176.094 -0.054 0.000 1.047 352 V CA 1.273 63.499 62.300 -0.123 0.000 1.035 352 V CB -0.383 31.412 31.823 -0.046 0.000 0.658 352 V HN 0.259 nan 8.190 nan 0.000 0.452 353 D N 1.668 122.050 120.400 -0.030 0.000 2.149 353 D HA -0.156 4.484 4.640 0.000 0.000 0.194 353 D C 1.626 177.928 176.300 0.004 0.000 1.001 353 D CA 1.931 55.930 54.000 -0.003 0.000 0.849 353 D CB -0.378 40.427 40.800 0.007 0.000 0.939 353 D HN 0.608 nan 8.370 nan 0.000 0.449 354 N N 0.691 119.388 118.700 -0.005 0.000 2.238 354 N HA -0.017 4.724 4.740 0.000 0.000 0.222 354 N C -0.314 175.191 175.510 -0.009 0.000 1.133 354 N CA 0.021 53.077 53.050 0.010 0.000 0.854 354 N CB 0.739 39.254 38.487 0.046 0.000 1.041 354 N HN 0.059 nan 8.380 nan 0.000 0.510 355 Q N -0.267 119.514 119.800 -0.032 0.000 2.439 355 Q HA -0.192 4.148 4.340 0.000 0.000 0.325 355 Q C -0.587 175.399 176.000 -0.023 0.000 1.372 355 Q CA 0.598 56.418 55.803 0.028 0.000 0.909 355 Q CB -1.773 27.059 28.738 0.157 0.000 1.167 355 Q HN 0.532 nan 8.270 nan 0.000 0.418 356 A N -0.005 122.600 122.820 -0.358 0.000 2.556 356 A HA 0.828 5.148 4.320 0.000 0.000 0.294 356 A C -0.195 176.918 177.584 -0.784 0.000 1.091 356 A CA 0.123 51.899 52.037 -0.435 0.000 0.704 356 A CB 1.891 20.667 19.000 -0.373 0.000 1.300 356 A HN 0.497 nan 8.150 nan 0.000 0.406 357 S N 0.017 115.354 115.700 -0.604 0.000 2.513 357 S HA 0.826 5.297 4.470 0.000 0.000 0.299 357 S C -1.225 173.056 174.600 -0.531 0.000 1.087 357 S CA -0.494 57.375 58.200 -0.552 0.000 1.012 357 S CB 0.844 63.948 63.200 -0.159 0.000 1.044 357 S HN 0.578 nan 8.310 nan 0.000 0.485 358 Y N 0.285 120.582 120.300 -0.005 0.000 2.393 358 Y HA 0.407 4.957 4.550 0.000 0.000 0.341 358 Y C 0.451 176.431 175.900 0.133 0.000 0.988 358 Y CA -1.051 57.044 58.100 -0.008 0.000 1.078 358 Y CB 1.521 39.983 38.460 0.003 0.000 1.203 358 Y HN 0.728 nan 8.280 nan 0.000 0.453 359 H N 1.705 120.906 119.070 0.219 0.000 2.723 359 H HA 0.498 5.054 4.556 0.000 0.000 0.294 359 H C 0.198 175.601 175.328 0.124 0.000 1.079 359 H CA -0.561 55.579 56.048 0.154 0.000 1.411 359 H CB 0.998 30.820 29.762 0.100 0.000 1.439 359 H HN 0.926 nan 8.280 nan 0.000 0.474 360 G N 0.958 109.905 108.800 0.246 0.000 3.086 360 G HA2 0.443 4.403 3.960 0.000 0.000 0.282 360 G HA3 0.443 4.403 3.960 0.000 0.000 0.282 360 G C 0.185 175.105 174.900 0.033 0.000 1.343 360 G CA -0.476 44.690 45.100 0.110 0.000 0.895 360 G HN 0.597 nan 8.290 nan 0.000 0.557 361 G N -0.591 108.081 108.800 -0.213 0.000 3.969 361 G HA2 0.166 4.126 3.960 0.000 0.000 0.291 361 G HA3 0.166 4.126 3.960 0.000 0.000 0.291 361 G C 0.630 175.009 174.900 -0.869 0.000 1.016 361 G CA -0.045 44.594 45.100 -0.769 0.000 0.819 361 G HN 0.323 nan 8.290 nan 0.000 0.493 362 N N 1.356 119.810 118.700 -0.410 0.000 2.334 362 N HA -0.142 4.598 4.740 0.000 0.000 0.187 362 N C 1.813 177.212 175.510 -0.185 0.000 1.016 362 N CA 0.936 53.854 53.050 -0.220 0.000 0.879 362 N CB -0.417 38.041 38.487 -0.048 0.000 0.965 362 N HN 0.632 nan 8.380 nan 0.000 0.438 363 F N -0.229 119.739 119.950 0.030 0.000 2.494 363 F HA 0.048 4.576 4.527 0.001 0.000 0.298 363 F C 0.782 176.590 175.800 0.013 0.000 1.106 363 F CA -0.242 57.773 58.000 0.025 0.000 1.452 363 F CB -0.798 38.220 39.000 0.031 0.000 1.085 363 F HN -0.112 nan 8.300 nan 0.000 0.569 364 L N 2.241 123.320 121.223 -0.240 0.000 2.283 364 L HA 0.494 4.835 4.340 0.000 0.000 0.287 364 L C 0.955 177.800 176.870 -0.041 0.000 1.073 364 L CA -0.402 54.381 54.840 -0.095 0.000 0.822 364 L CB 0.697 42.623 42.059 -0.221 0.000 1.186 364 L HN 0.187 nan 8.230 nan 0.000 0.436 365 G N 3.164 111.976 108.800 0.020 0.000 3.455 365 G HA2 0.026 3.987 3.960 0.000 0.000 0.250 365 G HA3 0.026 3.987 3.960 0.000 0.000 0.250 365 G C 0.733 175.640 174.900 0.012 0.000 1.071 365 G CA -0.220 44.905 45.100 0.041 0.000 1.812 365 G HN 0.766 nan 8.290 nan 0.000 0.643 366 Q N 0.187 119.963 119.800 -0.040 0.000 2.096 366 Q HA -0.186 4.155 4.340 0.000 0.000 0.204 366 Q C 1.680 177.575 176.000 -0.174 0.000 0.982 366 Q CA 1.673 57.393 55.803 -0.138 0.000 0.850 366 Q CB -0.335 28.271 28.738 -0.219 0.000 0.901 366 Q HN 0.708 nan 8.270 nan 0.000 0.422 367 Y N -1.269 118.997 120.300 -0.056 0.000 2.207 367 Y HA -0.231 4.319 4.550 0.000 0.000 0.287 367 Y C 2.180 178.054 175.900 -0.043 0.000 1.156 367 Y CA 1.257 59.331 58.100 -0.045 0.000 1.182 367 Y CB -0.258 38.186 38.460 -0.027 0.000 0.979 367 Y HN -0.011 nan 8.280 nan 0.000 0.521 368 V N -0.661 119.314 119.914 0.103 0.000 2.323 368 V HA -0.114 4.007 4.120 0.000 0.000 0.244 368 V C 1.826 177.917 176.094 -0.005 0.000 1.041 368 V CA 1.097 63.428 62.300 0.051 0.000 1.025 368 V CB -1.309 30.549 31.823 0.059 0.000 0.656 368 V HN 0.414 nan 8.190 nan 0.000 0.451 374 H N 0.957 119.900 119.070 -0.212 0.000 2.357 374 H HA 0.048 4.605 4.556 0.000 0.000 0.301 374 H C 2.083 177.040 175.328 -0.619 0.000 1.082 374 H CA 0.884 56.662 56.048 -0.450 0.000 1.342 374 H CB -0.314 29.232 29.762 -0.360 0.000 1.389 374 H HN 0.097 nan 8.280 nan 0.000 0.511 375 L N 1.150 122.303 121.223 -0.116 0.000 1.990 375 L HA -0.191 4.149 4.340 0.000 0.000 0.213 375 L C 2.497 179.349 176.870 -0.030 0.000 1.072 375 L CA 1.670 56.510 54.840 0.000 0.000 0.755 375 L CB -0.386 41.708 42.059 0.058 0.000 0.889 375 L HN 0.052 nan 8.230 nan 0.000 0.432 376 R N -1.983 118.500 120.500 -0.028 0.000 2.083 376 R HA -0.252 4.088 4.340 0.000 0.000 0.237 376 R C 2.309 178.613 176.300 0.006 0.000 1.137 376 R CA 1.975 58.075 56.100 -0.000 0.000 0.951 376 R CB -0.904 29.417 30.300 0.035 0.000 0.851 376 R HN 0.484 nan 8.270 nan 0.000 0.434 377 Y N 0.734 120.938 120.300 -0.160 0.000 2.151 377 Y HA -0.319 4.231 4.550 0.000 0.000 0.284 377 Y C 1.840 177.696 175.900 -0.073 0.000 1.166 377 Y CA 1.507 59.517 58.100 -0.151 0.000 1.163 377 Y CB -0.472 37.860 38.460 -0.214 0.000 0.974 377 Y HN 0.028 nan 8.280 nan 0.000 0.511 378 Y N -0.123 120.060 120.300 -0.195 0.000 2.224 378 Y HA -0.201 4.350 4.550 0.001 0.000 0.289 378 Y C 2.560 178.291 175.900 -0.281 0.000 1.146 378 Y CA 1.112 59.040 58.100 -0.287 0.000 1.182 378 Y CB -1.132 37.251 38.460 -0.129 0.000 0.983 378 Y HN 0.187 nan 8.280 nan 0.000 0.524 379 I N -0.455 120.047 120.570 -0.114 0.000 2.286 379 I HA -0.239 3.931 4.170 0.000 0.000 0.248 379 I C 2.602 178.455 176.117 -0.439 0.000 1.115 379 I CA 1.523 62.577 61.300 -0.410 0.000 1.392 379 I CB -0.729 37.033 38.000 -0.397 0.000 1.065 379 I HN 0.258 nan 8.210 nan 0.000 0.418 380 G N 0.545 109.204 108.800 -0.236 0.000 2.408 380 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 380 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 380 G C 1.676 176.491 174.900 -0.140 0.000 1.150 380 G CA 0.370 45.371 45.100 -0.164 0.000 0.776 380 G HN 0.279 nan 8.290 nan 0.000 0.542 381 L N -0.160 120.966 121.223 -0.161 0.000 2.217 381 L HA 0.116 4.456 4.340 0.000 0.000 0.211 381 L C 2.770 179.718 176.870 0.130 0.000 1.107 381 L CA 0.230 55.040 54.840 -0.050 0.000 0.783 381 L CB -0.173 41.755 42.059 -0.217 0.000 0.919 381 L HN 0.182 nan 8.230 nan 0.000 0.442 382 L N -0.806 120.428 121.223 0.019 0.000 2.044 382 L HA -0.141 4.199 4.340 0.000 0.000 0.205 382 L C 2.846 179.820 176.870 0.174 0.000 1.075 382 L CA 1.085 56.016 54.840 0.152 0.000 0.747 382 L CB -0.603 41.467 42.059 0.019 0.000 0.903 382 L HN 0.232 nan 8.230 nan 0.000 0.435 383 A N 0.123 122.903 122.820 -0.065 0.000 1.877 383 A HA -0.268 4.052 4.320 0.000 0.000 0.216 383 A C 2.332 179.839 177.584 -0.129 0.000 1.186 383 A CA 2.009 53.903 52.037 -0.238 0.000 0.620 383 A CB -0.447 18.256 19.000 -0.494 0.000 0.822 383 A HN 0.282 nan 8.150 nan 0.000 0.443 384 K N -1.044 119.343 120.400 -0.022 0.000 2.032 384 K HA -0.250 4.070 4.320 0.000 0.000 0.209 384 K C 2.063 178.741 176.600 0.130 0.000 1.048 384 K CA 1.860 58.179 56.287 0.053 0.000 0.927 384 K CB -0.404 32.144 32.500 0.079 0.000 0.712 384 K HN 0.789 nan 8.250 nan 0.000 0.441 385 H N -0.012 119.089 119.070 0.051 0.000 2.321 385 H HA -0.112 4.444 4.556 0.000 0.000 0.300 385 H C 2.072 177.486 175.328 0.143 0.000 1.087 385 H CA 1.593 57.633 56.048 -0.012 0.000 1.319 385 H CB 0.066 29.771 29.762 -0.095 0.000 1.379 385 H HN 0.156 nan 8.280 nan 0.000 0.501 386 L N 0.314 121.621 121.223 0.141 0.000 2.079 386 L HA -0.189 4.151 4.340 0.000 0.000 0.210 386 L C 2.232 179.181 176.870 0.131 0.000 1.081 386 L CA 1.540 56.419 54.840 0.064 0.000 0.752 386 L CB -0.296 41.907 42.059 0.240 0.000 0.896 386 L HN 0.321 nan 8.230 nan 0.000 0.433 387 D N -0.834 119.689 120.400 0.206 0.000 2.183 387 D HA -0.127 4.513 4.640 0.000 0.000 0.203 387 D C 2.191 178.524 176.300 0.054 0.000 0.969 387 D CA 0.560 54.665 54.000 0.174 0.000 0.842 387 D CB 0.249 41.159 40.800 0.184 0.000 0.957 387 D HN -0.024 nan 8.370 nan 0.000 0.484 388 V N 0.591 120.545 119.914 0.066 0.000 2.358 388 V HA -0.217 3.904 4.120 0.000 0.000 0.246 388 V C 2.368 178.477 176.094 0.025 0.000 1.047 388 V CA 1.370 63.695 62.300 0.041 0.000 1.035 388 V CB -0.350 31.509 31.823 0.061 0.000 0.658 388 V HN 0.293 nan 8.190 nan 0.000 0.452 389 Q N -0.515 119.305 119.800 0.034 0.000 2.084 389 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 389 Q C 2.237 178.216 176.000 -0.036 0.000 0.978 389 Q CA 1.710 57.525 55.803 0.021 0.000 0.844 389 Q CB -0.377 28.373 28.738 0.020 0.000 0.898 389 Q HN 0.582 nan 8.270 nan 0.000 0.426 390 I N 0.868 121.366 120.570 -0.120 0.000 2.286 390 I HA -0.266 3.904 4.170 0.000 0.000 0.248 390 I C 2.378 178.345 176.117 -0.251 0.000 1.115 390 I CA 1.034 62.135 61.300 -0.331 0.000 1.392 390 I CB -0.423 37.223 38.000 -0.589 0.000 1.065 390 I HN 0.076 nan 8.210 nan 0.000 0.418 391 A N 0.962 123.711 122.820 -0.119 0.000 1.933 391 A HA -0.137 4.184 4.320 0.000 0.000 0.218 391 A C 2.293 179.911 177.584 0.056 0.000 1.175 391 A CA 1.289 53.308 52.037 -0.031 0.000 0.628 391 A CB -0.699 18.302 19.000 0.002 0.000 0.814 391 A HN 0.368 nan 8.150 nan 0.000 0.444 392 L N -0.681 120.575 121.223 0.055 0.000 1.994 392 L HA -0.188 4.153 4.340 0.000 0.000 0.208 392 L C 2.610 179.560 176.870 0.132 0.000 1.071 392 L CA 1.244 56.161 54.840 0.129 0.000 0.745 392 L CB -0.802 41.307 42.059 0.084 0.000 0.892 392 L HN 0.360 nan 8.230 nan 0.000 0.431 393 L N 0.072 121.345 121.223 0.084 0.000 2.021 393 L HA -0.267 4.073 4.340 0.000 0.000 0.215 393 L C 2.812 179.768 176.870 0.144 0.000 1.074 393 L CA 1.556 56.468 54.840 0.120 0.000 0.760 393 L CB -0.792 41.350 42.059 0.138 0.000 0.889 393 L HN 0.299 nan 8.230 nan 0.000 0.433 394 A N -1.174 121.711 122.820 0.109 0.000 2.066 394 A HA -0.019 4.301 4.320 0.000 0.000 0.218 394 A C 1.216 178.866 177.584 0.110 0.000 1.157 394 A CA 0.635 52.758 52.037 0.144 0.000 0.670 394 A CB -0.225 18.839 19.000 0.108 0.000 0.804 394 A HN 0.373 nan 8.150 nan 0.000 0.453 395 S N 1.205 116.972 115.700 0.111 0.000 2.422 395 S HA 0.379 4.849 4.470 0.000 0.000 0.298 395 S C -2.000 172.624 174.600 0.041 0.000 1.118 395 S CA -1.134 57.113 58.200 0.078 0.000 1.083 395 S CB 1.321 64.601 63.200 0.132 0.000 0.971 395 S HN 0.269 nan 8.310 nan 0.000 0.478 396 P HA -0.088 nan 4.420 nan 0.000 0.225 396 P C 0.553 177.808 177.300 -0.075 0.000 1.148 396 P CA 0.918 64.014 63.100 -0.007 0.000 0.779 396 P CB 0.240 31.938 31.700 -0.002 0.000 0.780 397 E N -1.364 118.698 120.200 -0.230 0.000 2.208 397 E HA -0.040 4.311 4.350 0.000 0.000 0.193 397 E C 0.829 177.144 176.600 -0.475 0.000 0.988 397 E CA 1.050 57.161 56.400 -0.482 0.000 0.828 397 E CB -0.390 28.770 29.700 -0.901 0.000 0.763 397 E HN 0.324 nan 8.360 nan 0.000 0.478 398 F N -1.537 118.438 119.950 0.040 0.000 2.798 398 F HA 0.192 4.719 4.527 0.000 0.000 0.328 398 F C 1.549 177.373 175.800 0.040 0.000 1.098 398 F CA -0.053 57.968 58.000 0.036 0.000 1.172 398 F CB 0.215 39.232 39.000 0.029 0.000 1.072 398 F HN -0.075 nan 8.300 nan 0.000 0.555 399 S N -0.746 115.062 115.700 0.180 0.000 2.593 399 S HA 0.057 4.528 4.470 0.000 0.000 0.217 399 S C 0.840 175.502 174.600 0.103 0.000 0.966 399 S CA 0.429 58.712 58.200 0.139 0.000 0.914 399 S CB -0.516 62.757 63.200 0.122 0.000 0.776 399 S HN 0.336 nan 8.310 nan 0.000 0.523 400 N N 1.049 119.799 118.700 0.083 0.000 2.756 400 N HA -0.142 4.598 4.740 0.000 0.000 0.248 400 N C 0.670 176.201 175.510 0.035 0.000 1.062 400 N CA 1.194 54.270 53.050 0.044 0.000 0.696 400 N CB -1.678 36.839 38.487 0.049 0.000 0.946 400 N HN 1.249 nan 8.380 nan 0.000 0.548 401 G N -2.170 106.654 108.800 0.040 0.000 2.141 401 G HA2 -0.261 3.699 3.960 0.000 0.000 0.231 401 G HA3 -0.261 3.699 3.960 0.000 0.000 0.231 401 G C -0.141 174.802 174.900 0.071 0.000 0.984 401 G CA 0.186 45.313 45.100 0.046 0.000 0.660 401 G HN 0.433 nan 8.290 nan 0.000 0.525 402 L N 1.365 122.639 121.223 0.084 0.000 2.436 402 L HA 0.540 4.881 4.340 0.000 0.000 0.265 402 L C -1.366 175.561 176.870 0.096 0.000 1.168 402 L CA -1.994 52.909 54.840 0.106 0.000 0.815 402 L CB 0.168 42.299 42.059 0.120 0.000 1.109 402 L HN -0.058 nan 8.230 nan 0.000 0.462 403 P HA 0.188 nan 4.420 nan 0.000 0.272 403 P C -2.619 174.722 177.300 0.068 0.000 1.240 403 P CA -1.223 61.922 63.100 0.075 0.000 0.791 403 P CB -0.311 31.430 31.700 0.068 0.000 0.978 404 P HA -0.008 nan 4.420 nan 0.000 0.271 404 P C -0.208 177.127 177.300 0.057 0.000 1.220 404 P CA 0.432 63.560 63.100 0.048 0.000 0.768 404 P CB 0.262 31.977 31.700 0.025 0.000 0.848 405 S N 1.296 117.054 115.700 0.096 0.000 3.380 405 S HA -0.200 4.271 4.470 0.000 0.000 0.300 405 S C 0.806 175.476 174.600 0.116 0.000 1.255 405 S CA 0.860 59.141 58.200 0.135 0.000 0.963 405 S CB -2.119 61.130 63.200 0.080 0.000 1.106 405 S HN 0.675 nan 8.310 nan 0.000 0.629 406 L N -2.353 118.938 121.223 0.114 0.000 3.737 406 L HA -0.245 4.095 4.340 0.000 0.000 0.418 406 L C 0.505 177.375 176.870 -0.000 0.000 1.216 406 L CA 0.688 55.577 54.840 0.081 0.000 0.915 406 L CB -1.929 40.197 42.059 0.112 0.000 1.834 406 L HN 0.582 nan 8.230 nan 0.000 0.943 407 L N -2.001 119.209 121.223 -0.022 0.000 2.514 407 L HA 0.508 4.848 4.340 0.000 0.000 0.280 407 L C 1.400 178.206 176.870 -0.106 0.000 1.223 407 L CA 1.043 55.828 54.840 -0.091 0.000 0.864 407 L CB 0.420 42.416 42.059 -0.104 0.000 1.118 407 L HN 0.078 nan 8.230 nan 0.000 0.494 408 G N 1.772 110.454 108.800 -0.196 0.000 2.557 408 G HA2 -0.117 3.844 3.960 0.000 0.000 0.213 408 G HA3 -0.117 3.844 3.960 0.000 0.000 0.213 408 G C 0.343 174.911 174.900 -0.554 0.000 1.221 408 G CA 0.331 45.298 45.100 -0.221 0.000 0.832 408 G HN 0.763 nan 8.290 nan 0.000 0.556 409 N N 0.895 118.959 118.700 -1.059 0.000 2.521 409 N HA 0.115 4.855 4.740 0.000 0.000 0.236 409 N C 1.537 176.669 175.510 -0.630 0.000 1.067 409 N CA -0.435 51.745 53.050 -1.450 0.000 0.939 409 N CB 0.868 38.188 38.487 -1.945 0.000 1.201 409 N HN 0.433 nan 8.380 nan 0.000 0.511 410 R N 1.086 121.366 120.500 -0.366 0.000 2.189 410 R HA -0.041 4.299 4.340 0.000 0.000 0.218 410 R C 1.151 177.370 176.300 -0.135 0.000 1.074 410 R CA 0.821 56.816 56.100 -0.175 0.000 0.991 410 R CB -0.158 30.106 30.300 -0.061 0.000 0.883 410 R HN 0.334 nan 8.270 nan 0.000 0.457 411 E N 1.427 121.541 120.200 -0.144 0.000 2.338 411 E HA -0.080 4.270 4.350 0.000 0.000 0.197 411 E C 0.287 176.829 176.600 -0.097 0.000 1.007 411 E CA 0.460 56.815 56.400 -0.075 0.000 0.849 411 E CB -0.140 29.551 29.700 -0.015 0.000 0.774 411 E HN 0.436 nan 8.360 nan 0.000 0.506 412 R N 0.583 120.983 120.500 -0.167 0.000 2.233 412 R HA 0.168 4.509 4.340 0.000 0.000 0.334 412 R C 0.682 176.904 176.300 -0.131 0.000 1.037 412 R CA -0.432 55.581 56.100 -0.144 0.000 0.920 412 R CB 0.380 30.569 30.300 -0.186 0.000 1.137 412 R HN 0.008 nan 8.270 nan 0.000 0.492 413 K N 2.444 122.791 120.400 -0.088 0.000 2.439 413 K HA -0.038 4.282 4.320 0.000 0.000 0.197 413 K C 1.604 178.161 176.600 -0.071 0.000 1.041 413 K CA 0.856 57.099 56.287 -0.073 0.000 0.970 413 K CB 0.099 32.569 32.500 -0.049 0.000 0.773 413 K HN 0.517 nan 8.250 nan 0.000 0.479 414 V N -0.903 118.965 119.914 -0.077 0.000 3.380 414 V HA -0.009 4.111 4.120 0.000 0.000 0.268 414 V C 0.739 176.780 176.094 -0.088 0.000 1.168 414 V CA 0.021 62.278 62.300 -0.072 0.000 1.156 414 V CB -0.640 31.145 31.823 -0.063 0.000 0.785 414 V HN 0.055 nan 8.190 nan 0.000 0.487 418 L N 1.396 122.565 121.223 -0.091 0.000 2.965 418 L HA 0.350 4.690 4.340 0.000 0.000 0.254 418 L C 2.072 178.983 176.870 0.067 0.000 1.220 418 L CA 0.014 54.769 54.840 -0.143 0.000 1.023 418 L CB 0.768 42.535 42.059 -0.487 0.000 1.355 418 L HN 0.472 nan 8.230 nan 0.000 0.545 419 K N 1.402 121.838 120.400 0.059 0.000 2.009 419 K HA -0.158 4.162 4.320 0.000 0.000 0.210 419 K C 1.997 178.649 176.600 0.087 0.000 1.049 419 K CA 1.879 58.220 56.287 0.090 0.000 0.929 419 K CB -0.142 32.381 32.500 0.039 0.000 0.714 419 K HN 0.362 nan 8.250 nan 0.000 0.440 420 G N 1.075 109.897 108.800 0.036 0.000 2.432 420 G HA2 -0.242 3.719 3.960 0.000 0.000 0.219 420 G HA3 -0.242 3.719 3.960 0.000 0.000 0.219 420 G C 1.399 176.336 174.900 0.061 0.000 1.135 420 G CA 0.823 45.941 45.100 0.030 0.000 0.767 420 G HN 0.305 nan 8.290 nan 0.000 0.550 421 L N 0.085 121.348 121.223 0.067 0.000 2.072 421 L HA 0.064 4.404 4.340 0.000 0.000 0.205 421 L C 2.810 179.870 176.870 0.316 0.000 1.079 421 L CA 2.173 57.082 54.840 0.114 0.000 0.752 421 L CB -0.538 41.490 42.059 -0.053 0.000 0.906 421 L HN 0.358 nan 8.230 nan 0.000 0.436 422 Q N -0.262 119.814 119.800 0.460 0.000 2.045 422 Q HA -0.264 4.077 4.340 0.000 0.000 0.206 422 Q C 2.277 178.355 176.000 0.129 0.000 0.991 422 Q CA 2.751 58.698 55.803 0.239 0.000 0.851 422 Q CB -0.291 28.537 28.738 0.149 0.000 0.911 422 Q HN 0.637 nan 8.270 nan 0.000 0.418 423 I N 0.093 120.731 120.570 0.114 0.000 2.151 423 I HA -0.387 3.783 4.170 0.000 0.000 0.243 423 I C 2.799 178.969 176.117 0.088 0.000 1.080 423 I CA 1.108 62.457 61.300 0.082 0.000 1.339 423 I CB -0.514 37.523 38.000 0.062 0.000 1.039 423 I HN 0.495 nan 8.210 nan 0.000 0.409 424 C N 1.306 120.661 119.300 0.092 0.000 2.413 424 C HA -0.149 4.312 4.460 0.000 0.000 0.277 424 C C 2.944 178.009 174.990 0.125 0.000 1.265 424 C CA 1.388 60.461 59.018 0.092 0.000 1.752 424 C CB -1.675 26.110 27.740 0.075 0.000 1.998 424 C HN 0.666 nan 8.230 nan 0.000 0.489 425 G N -0.390 108.491 108.800 0.136 0.000 2.421 425 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 425 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 425 G C 1.418 176.471 174.900 0.254 0.000 1.143 425 G CA 0.852 46.058 45.100 0.177 0.000 0.784 425 G HN 0.777 nan 8.290 nan 0.000 0.541 426 N N 0.369 119.162 118.700 0.156 0.000 2.494 426 N HA -0.035 4.705 4.740 0.000 0.000 0.182 426 N C 2.236 177.813 175.510 0.112 0.000 1.076 426 N CA 0.877 54.002 53.050 0.125 0.000 0.908 426 N CB 0.136 38.671 38.487 0.081 0.000 0.967 426 N HN 0.439 nan 8.380 nan 0.000 0.449 427 S N -0.161 115.610 115.700 0.119 0.000 2.470 427 S HA 0.153 4.623 4.470 0.000 0.000 0.222 427 S C 0.833 175.503 174.600 0.116 0.000 1.024 427 S CA -0.192 58.065 58.200 0.094 0.000 0.931 427 S CB 0.109 63.355 63.200 0.076 0.000 0.791 427 S HN 0.070 nan 8.310 nan 0.000 0.513 431 L N 0.470 121.749 121.223 0.093 0.000 2.042 431 L HA -0.028 4.312 4.340 0.000 0.000 0.210 431 L C 2.015 179.050 176.870 0.275 0.000 1.076 431 L CA 1.773 56.687 54.840 0.123 0.000 0.749 431 L CB -0.854 41.290 42.059 0.140 0.000 0.893 431 L HN 0.051 nan 8.230 nan 0.000 0.432 432 L N -0.951 120.411 121.223 0.230 0.000 2.042 432 L HA -0.259 4.081 4.340 0.000 0.000 0.210 432 L C 2.549 179.513 176.870 0.157 0.000 1.076 432 L CA 2.002 56.964 54.840 0.203 0.000 0.749 432 L CB -1.197 40.886 42.059 0.039 0.000 0.893 432 L HN 0.540 nan 8.230 nan 0.000 0.432 433 T N -2.808 111.811 114.554 0.108 0.000 2.821 433 T HA -0.250 4.101 4.350 0.000 0.000 0.267 433 T C 1.726 176.499 174.700 0.121 0.000 1.046 433 T CA 1.011 63.164 62.100 0.088 0.000 1.139 433 T CB -0.739 68.169 68.868 0.067 0.000 0.871 433 T HN 0.273 nan 8.240 nan 0.000 0.454 434 F N 1.538 121.481 119.950 -0.011 0.000 2.069 434 F HA -0.105 4.422 4.527 0.000 0.000 0.298 434 F C 2.020 177.760 175.800 -0.100 0.000 1.113 434 F CA 1.191 59.138 58.000 -0.088 0.000 1.214 434 F CB -0.585 38.306 39.000 -0.182 0.000 0.978 434 F HN 0.072 nan 8.300 nan 0.000 0.474 435 Y N 0.639 121.048 120.300 0.181 0.000 2.556 435 Y HA -0.048 4.502 4.550 0.000 0.000 0.290 435 Y C 2.502 178.382 175.900 -0.034 0.000 1.149 435 Y CA 0.995 59.124 58.100 0.048 0.000 1.329 435 Y CB -1.217 37.314 38.460 0.120 0.000 0.975 435 Y HN 0.192 nan 8.280 nan 0.000 0.561 436 G N -0.737 108.127 108.800 0.107 0.000 2.813 436 G HA2 -0.115 3.846 3.960 0.000 0.000 0.209 436 G HA3 -0.115 3.846 3.960 0.000 0.000 0.209 436 G C 0.727 175.663 174.900 0.059 0.000 1.150 436 G CA -0.235 44.927 45.100 0.105 0.000 0.785 436 G HN 0.173 nan 8.290 nan 0.000 0.535 437 N N 1.046 119.706 118.700 -0.067 0.000 2.344 437 N HA 0.084 4.824 4.740 0.000 0.000 0.236 437 N C 0.604 176.055 175.510 -0.098 0.000 1.279 437 N CA 0.591 53.562 53.050 -0.132 0.000 0.882 437 N CB 0.911 39.222 38.487 -0.295 0.000 1.110 437 N HN 0.321 nan 8.380 nan 0.000 0.436 438 S N -0.029 115.608 115.700 -0.105 0.000 2.690 438 S HA 0.523 4.993 4.470 0.000 0.000 0.291 438 S C 0.834 175.393 174.600 -0.069 0.000 1.138 438 S CA -0.750 57.397 58.200 -0.088 0.000 1.013 438 S CB 1.759 64.896 63.200 -0.105 0.000 1.053 438 S HN 0.635 nan 8.310 nan 0.000 0.539 439 I N -0.607 119.935 120.570 -0.046 0.000 4.774 439 I HA 0.232 4.402 4.170 0.000 0.000 0.330 439 I C 2.098 178.223 176.117 0.013 0.000 1.287 439 I CA 0.207 61.499 61.300 -0.015 0.000 1.311 439 I CB -0.132 37.873 38.000 0.008 0.000 1.315 439 I HN 0.826 nan 8.210 nan 0.000 0.459 440 A N 1.140 123.959 122.820 -0.002 0.000 1.972 440 A HA -0.240 4.080 4.320 0.000 0.000 0.219 440 A C 1.776 179.448 177.584 0.146 0.000 1.169 440 A CA 1.978 54.039 52.037 0.039 0.000 0.635 440 A CB -0.576 18.399 19.000 -0.041 0.000 0.810 440 A HN 0.648 nan 8.150 nan 0.000 0.446 441 D N -0.759 119.681 120.400 0.066 0.000 2.371 441 D HA -0.105 4.535 4.640 0.000 0.000 0.221 441 D C 1.380 177.654 176.300 -0.043 0.000 0.986 441 D CA 0.499 54.527 54.000 0.047 0.000 0.899 441 D CB -0.361 40.427 40.800 -0.020 0.000 0.902 441 D HN 0.454 nan 8.370 nan 0.000 0.530 442 R N 0.102 120.598 120.500 -0.006 0.000 2.388 442 R HA 0.171 4.511 4.340 0.000 0.000 0.247 442 R C 0.079 176.354 176.300 -0.043 0.000 0.931 442 R CA -0.517 55.548 56.100 -0.058 0.000 1.082 442 R CB -0.177 30.104 30.300 -0.032 0.000 1.135 442 R HN 0.203 nan 8.270 nan 0.000 0.525 443 F N 1.294 121.222 119.950 -0.038 0.000 2.602 443 F HA 0.256 4.783 4.527 0.000 0.000 0.367 443 F C -2.170 173.592 175.800 -0.063 0.000 1.126 443 F CA -2.759 55.211 58.000 -0.049 0.000 1.321 443 F CB -0.204 38.769 39.000 -0.045 0.000 1.094 443 F HN -0.153 nan 8.300 nan 0.000 0.594 444 P HA 0.159 nan 4.420 nan 0.000 0.287 444 P C 0.440 177.695 177.300 -0.074 0.000 1.281 444 P CA -0.459 62.540 63.100 -0.170 0.000 0.781 444 P CB 1.354 32.788 31.700 -0.443 0.000 0.903 445 T N -1.874 112.661 114.554 -0.033 0.000 3.088 445 T HA -0.104 4.246 4.350 0.000 0.000 0.259 445 T C 1.221 175.977 174.700 0.093 0.000 1.122 445 T CA 0.641 62.816 62.100 0.124 0.000 1.095 445 T CB -0.838 68.109 68.868 0.131 0.000 0.930 445 T HN 0.562 nan 8.240 nan 0.000 0.508 446 H N 0.492 119.548 119.070 -0.023 0.000 2.526 446 H HA 0.607 5.163 4.556 0.000 0.000 0.274 446 H C 0.649 175.698 175.328 -0.464 0.000 0.999 446 H CA -0.196 55.645 56.048 -0.346 0.000 1.157 446 H CB -0.619 28.930 29.762 -0.355 0.000 1.407 446 H HN 0.448 nan 8.280 nan 0.000 0.568 447 A N 2.000 124.582 122.820 -0.396 0.000 2.511 447 A HA 0.003 4.324 4.320 0.000 0.000 0.242 447 A C 0.764 178.254 177.584 -0.157 0.000 1.069 447 A CA 0.148 52.020 52.037 -0.275 0.000 0.763 447 A CB -0.040 18.858 19.000 -0.169 0.000 1.001 447 A HN 0.620 nan 8.150 nan 0.000 0.498 448 E N 1.750 121.884 120.200 -0.109 0.000 2.332 448 E HA -0.255 4.095 4.350 0.000 0.000 0.162 448 E C -0.034 176.551 176.600 -0.024 0.000 1.637 448 E CA 1.174 57.550 56.400 -0.039 0.000 0.654 448 E CB -1.159 28.546 29.700 0.007 0.000 1.072 448 E HN 0.944 nan 8.360 nan 0.000 0.336 449 Q N -0.063 119.697 119.800 -0.066 0.000 2.489 449 Q HA -0.267 4.073 4.340 0.000 0.000 0.259 449 Q C -0.109 176.044 176.000 0.255 0.000 0.934 449 Q CA 0.981 56.834 55.803 0.084 0.000 1.131 449 Q CB -1.614 27.194 28.738 0.116 0.000 1.472 449 Q HN 0.732 nan 8.270 nan 0.000 0.560 450 F N -3.648 116.348 119.950 0.077 0.000 2.914 450 F HA -0.341 4.187 4.527 0.000 0.000 0.304 450 F C 1.203 177.039 175.800 0.060 0.000 0.712 450 F CA 1.155 59.200 58.000 0.076 0.000 1.211 450 F CB -2.031 37.013 39.000 0.073 0.000 1.515 450 F HN 0.311 nan 8.300 nan 0.000 0.350 451 N N 0.918 119.712 118.700 0.157 0.000 2.207 451 N HA -0.084 4.657 4.740 0.000 0.000 0.182 451 N C 0.833 176.393 175.510 0.084 0.000 1.020 451 N CA 1.583 54.700 53.050 0.112 0.000 0.858 451 N CB -0.006 38.533 38.487 0.087 0.000 0.991 451 N HN 0.528 nan 8.380 nan 0.000 0.427 452 Q N 0.617 120.451 119.800 0.056 0.000 3.135 452 Q HA 0.114 4.454 4.340 0.000 0.000 0.344 452 Q C 0.042 176.071 176.000 0.048 0.000 1.321 452 Q CA -0.370 55.460 55.803 0.044 0.000 1.050 452 Q CB 0.013 28.764 28.738 0.021 0.000 1.498 452 Q HN 0.491 nan 8.270 nan 0.000 0.503 453 N N 0.854 119.607 118.700 0.088 0.000 2.409 453 N HA -0.069 4.671 4.740 0.000 0.000 0.179 453 N C 0.702 176.328 175.510 0.193 0.000 1.032 453 N CA 0.449 53.589 53.050 0.149 0.000 0.898 453 N CB -0.016 38.576 38.487 0.176 0.000 0.971 453 N HN 0.473 nan 8.380 nan 0.000 0.441 454 I N -1.720 118.861 120.570 0.018 0.000 2.562 454 I HA 0.603 4.773 4.170 0.000 0.000 0.301 454 I C -1.057 174.832 176.117 -0.380 0.000 1.003 454 I CA -1.169 59.935 61.300 -0.327 0.000 1.127 454 I CB 1.874 39.661 38.000 -0.355 0.000 1.304 454 I HN 0.070 nan 8.210 nan 0.000 0.446 455 N N 1.356 119.626 118.700 -0.717 0.000 2.823 455 N HA 0.326 5.067 4.740 0.000 0.000 0.251 455 N C -0.217 175.079 175.510 -0.357 0.000 1.392 455 N CA -0.309 52.539 53.050 -0.335 0.000 0.864 455 N CB 1.572 40.000 38.487 -0.099 0.000 1.481 455 N HN 0.600 nan 8.380 nan 0.000 0.508 456 S N -1.628 113.983 115.700 -0.149 0.000 2.470 456 S HA -0.023 4.447 4.470 0.000 0.000 0.222 456 S C 0.385 174.975 174.600 -0.016 0.000 1.024 456 S CA 0.230 58.369 58.200 -0.101 0.000 0.931 456 S CB -0.430 62.734 63.200 -0.060 0.000 0.791 456 S HN 0.577 nan 8.310 nan 0.000 0.513 457 Q N -0.201 119.617 119.800 0.030 0.000 2.452 457 Q HA -0.168 4.172 4.340 0.000 0.000 0.248 457 Q C 1.052 177.101 176.000 0.081 0.000 0.874 457 Q CA 0.935 56.782 55.803 0.073 0.000 1.208 457 Q CB -2.333 26.453 28.738 0.080 0.000 1.569 457 Q HN 0.736 nan 8.270 nan 0.000 0.579 458 G N -0.657 108.188 108.800 0.074 0.000 2.448 458 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 458 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 458 G C 0.964 175.934 174.900 0.117 0.000 1.127 458 G CA 0.938 46.081 45.100 0.072 0.000 0.766 458 G HN 0.474 nan 8.290 nan 0.000 0.552 459 Y N 2.387 122.709 120.300 0.037 0.000 2.153 459 Y HA -0.153 4.397 4.550 0.000 0.000 0.289 459 Y C 3.220 179.157 175.900 0.062 0.000 1.127 459 Y CA 2.346 60.475 58.100 0.048 0.000 1.131 459 Y CB -0.480 38.015 38.460 0.059 0.000 0.995 459 Y HN 0.251 nan 8.280 nan 0.000 0.505 460 T N -3.067 111.594 114.554 0.178 0.000 2.915 460 T HA -0.165 4.186 4.350 0.000 0.000 0.269 460 T C 2.172 176.893 174.700 0.035 0.000 1.071 460 T CA 1.249 63.408 62.100 0.099 0.000 1.132 460 T CB -0.824 68.152 68.868 0.179 0.000 0.878 460 T HN 0.293 nan 8.240 nan 0.000 0.479 461 S N 1.352 117.072 115.700 0.033 0.000 2.368 461 S HA 0.034 4.504 4.470 0.000 0.000 0.225 461 S C 2.443 177.029 174.600 -0.024 0.000 1.030 461 S CA 1.152 59.356 58.200 0.007 0.000 0.999 461 S CB -0.854 62.344 63.200 -0.003 0.000 0.844 461 S HN 0.731 nan 8.310 nan 0.000 0.459 462 A N 0.698 123.488 122.820 -0.050 0.000 1.930 462 A HA -0.058 4.262 4.320 0.000 0.000 0.217 462 A C 2.410 179.920 177.584 -0.122 0.000 1.175 462 A CA 2.192 54.182 52.037 -0.079 0.000 0.627 462 A CB -1.439 17.512 19.000 -0.082 0.000 0.815 462 A HN 0.747 nan 8.150 nan 0.000 0.443 463 T N -1.661 112.785 114.554 -0.179 0.000 2.857 463 T HA -0.025 4.325 4.350 0.000 0.000 0.266 463 T C 1.846 176.487 174.700 -0.097 0.000 1.048 463 T CA 1.272 63.272 62.100 -0.167 0.000 1.139 463 T CB -0.556 68.187 68.868 -0.208 0.000 0.874 463 T HN 0.272 nan 8.240 nan 0.000 0.455 464 L N 0.987 122.180 121.223 -0.051 0.000 2.079 464 L HA -0.023 4.317 4.340 0.000 0.000 0.210 464 L C 3.330 180.132 176.870 -0.114 0.000 1.081 464 L CA 1.351 56.165 54.840 -0.045 0.000 0.752 464 L CB -0.749 41.345 42.059 0.058 0.000 0.896 464 L HN 0.423 nan 8.230 nan 0.000 0.433 465 A N -0.024 122.753 122.820 -0.072 0.000 1.930 465 A HA -0.237 4.083 4.320 0.000 0.000 0.217 465 A C 2.304 179.848 177.584 -0.066 0.000 1.175 465 A CA 1.656 53.657 52.037 -0.059 0.000 0.627 465 A CB -0.429 18.555 19.000 -0.027 0.000 0.815 465 A HN 0.299 nan 8.150 nan 0.000 0.443 466 R N 0.249 120.704 120.500 -0.076 0.000 2.081 466 R HA -0.135 4.205 4.340 0.000 0.000 0.235 466 R C 2.131 178.376 176.300 -0.092 0.000 1.131 466 R CA 2.050 58.110 56.100 -0.066 0.000 0.960 466 R CB -0.625 29.630 30.300 -0.075 0.000 0.856 466 R HN 0.402 nan 8.270 nan 0.000 0.436 467 R N 0.017 120.420 120.500 -0.162 0.000 2.091 467 R HA 0.030 4.371 4.340 0.000 0.000 0.238 467 R C 2.119 178.259 176.300 -0.266 0.000 1.136 467 R CA 2.229 58.184 56.100 -0.241 0.000 0.959 467 R CB -0.805 29.269 30.300 -0.377 0.000 0.856 467 R HN 0.269 nan 8.270 nan 0.000 0.437 468 S N -0.643 114.884 115.700 -0.287 0.000 2.368 468 S HA -0.086 4.384 4.470 0.000 0.000 0.225 468 S C 1.872 176.487 174.600 0.025 0.000 1.030 468 S CA 1.325 59.436 58.200 -0.149 0.000 0.999 468 S CB -0.225 62.916 63.200 -0.098 0.000 0.844 468 S HN 0.177 nan 8.310 nan 0.000 0.459 469 V N 2.371 122.310 119.914 0.041 0.000 2.295 469 V HA -0.183 3.938 4.120 0.000 0.000 0.246 469 V C 2.033 178.206 176.094 0.133 0.000 1.049 469 V CA 1.834 64.215 62.300 0.135 0.000 1.024 469 V CB -0.759 31.124 31.823 0.101 0.000 0.648 469 V HN 0.368 nan 8.190 nan 0.000 0.447 470 D N 0.007 120.443 120.400 0.060 0.000 2.149 470 D HA -0.133 4.508 4.640 0.000 0.000 0.198 470 D C 1.983 178.333 176.300 0.083 0.000 0.990 470 D CA 1.407 55.438 54.000 0.051 0.000 0.839 470 D CB -0.180 40.627 40.800 0.012 0.000 0.948 470 D HN 0.429 nan 8.370 nan 0.000 0.460 471 I N -0.319 120.312 120.570 0.103 0.000 2.500 471 I HA -0.170 4.000 4.170 0.000 0.000 0.252 471 I C 1.980 178.252 176.117 0.260 0.000 1.142 471 I CA 0.266 61.659 61.300 0.155 0.000 1.451 471 I CB -0.023 38.065 38.000 0.147 0.000 1.093 471 I HN -0.122 nan 8.210 nan 0.000 0.430 472 F N 1.750 121.756 119.950 0.093 0.000 2.234 472 F HA -0.160 4.367 4.527 0.000 0.000 0.299 472 F C 2.442 178.336 175.800 0.156 0.000 1.087 472 F CA 1.452 59.533 58.000 0.135 0.000 1.340 472 F CB -0.441 38.611 39.000 0.087 0.000 1.031 472 F HN 0.056 nan 8.300 nan 0.000 0.500 473 Q N 0.099 119.929 119.800 0.050 0.000 2.061 473 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 473 Q C 1.949 177.927 176.000 -0.036 0.000 0.984 473 Q CA 2.152 57.926 55.803 -0.049 0.000 0.846 473 Q CB -0.370 28.373 28.738 0.009 0.000 0.902 473 Q HN 0.571 nan 8.270 nan 0.000 0.421 474 N N -0.640 118.082 118.700 0.037 0.000 2.084 474 N HA -0.213 4.528 4.740 0.000 0.000 0.190 474 N C 1.589 177.117 175.510 0.030 0.000 1.030 474 N CA 1.066 54.141 53.050 0.041 0.000 0.849 474 N CB -0.230 38.305 38.487 0.079 0.000 1.012 474 N HN 0.210 nan 8.380 nan 0.000 0.423 475 Y N 1.978 122.287 120.300 0.016 0.000 2.081 475 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 475 Y C 2.188 178.052 175.900 -0.060 0.000 1.163 475 Y CA 1.415 59.536 58.100 0.035 0.000 1.135 475 Y CB -0.551 38.014 38.460 0.174 0.000 0.970 475 Y HN -0.163 nan 8.280 nan 0.000 0.498 476 V N 0.380 120.196 119.914 -0.163 0.000 2.343 476 V HA -0.355 3.766 4.120 0.000 0.000 0.247 476 V C 2.684 178.664 176.094 -0.190 0.000 1.051 476 V CA 1.707 63.855 62.300 -0.255 0.000 1.036 476 V CB -1.715 29.855 31.823 -0.421 0.000 0.654 476 V HN 0.602 nan 8.190 nan 0.000 0.451 477 A N 0.104 122.839 122.820 -0.141 0.000 1.927 477 A HA -0.257 4.063 4.320 0.000 0.000 0.220 477 A C 2.184 179.721 177.584 -0.079 0.000 1.185 477 A CA 2.392 54.377 52.037 -0.086 0.000 0.639 477 A CB -0.597 18.376 19.000 -0.045 0.000 0.820 477 A HN 0.547 nan 8.150 nan 0.000 0.451 478 I N -0.730 119.759 120.570 -0.135 0.000 2.286 478 I HA -0.200 3.970 4.170 0.000 0.000 0.245 478 I C 2.926 179.029 176.117 -0.023 0.000 1.104 478 I CA 0.903 62.153 61.300 -0.084 0.000 1.397 478 I CB -0.395 37.518 38.000 -0.144 0.000 1.072 478 I HN 0.357 nan 8.210 nan 0.000 0.417 479 A N 1.006 123.705 122.820 -0.203 0.000 1.972 479 A HA -0.049 4.271 4.320 0.000 0.000 0.219 479 A C 1.509 179.093 177.584 0.000 0.000 1.169 479 A CA 0.855 52.832 52.037 -0.099 0.000 0.635 479 A CB -0.675 18.220 19.000 -0.174 0.000 0.810 479 A HN 0.254 nan 8.150 nan 0.000 0.446 483 G N 0.975 109.911 108.800 0.227 0.000 2.552 483 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 483 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 483 G C 1.600 176.605 174.900 0.174 0.000 1.240 483 G CA 1.942 47.138 45.100 0.159 0.000 0.796 483 G HN 0.164 nan 8.290 nan 0.000 0.568 484 V N 1.127 121.134 119.914 0.154 0.000 2.233 484 V HA -0.355 3.765 4.120 0.000 0.000 0.252 484 V C 2.811 179.071 176.094 0.276 0.000 1.063 484 V CA 2.733 65.150 62.300 0.196 0.000 1.032 484 V CB -0.873 30.881 31.823 -0.115 0.000 0.645 484 V HN 0.530 nan 8.190 nan 0.000 0.446 485 Q N 0.406 120.387 119.800 0.301 0.000 2.112 485 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 485 Q C 2.073 178.213 176.000 0.233 0.000 0.987 485 Q CA 2.533 58.513 55.803 0.294 0.000 0.858 485 Q CB -0.650 28.185 28.738 0.163 0.000 0.905 485 Q HN 0.631 nan 8.270 nan 0.000 0.420 486 A N -0.105 122.843 122.820 0.214 0.000 1.877 486 A HA -0.136 4.184 4.320 0.000 0.000 0.216 486 A C 2.267 179.957 177.584 0.176 0.000 1.186 486 A CA 2.094 54.248 52.037 0.196 0.000 0.620 486 A CB -1.296 17.823 19.000 0.197 0.000 0.822 486 A HN 0.584 nan 8.150 nan 0.000 0.443 487 V N -1.512 118.498 119.914 0.161 0.000 2.407 487 V HA -0.246 3.875 4.120 0.000 0.000 0.248 487 V C 1.781 177.953 176.094 0.131 0.000 1.055 487 V CA 2.522 64.883 62.300 0.102 0.000 1.049 487 V CB -1.079 30.754 31.823 0.017 0.000 0.662 487 V HN 0.387 nan 8.190 nan 0.000 0.455 488 D N 0.950 121.490 120.400 0.233 0.000 2.123 488 D HA -0.100 4.540 4.640 0.000 0.000 0.196 488 D C 2.122 178.641 176.300 0.364 0.000 0.992 488 D CA 1.892 56.083 54.000 0.319 0.000 0.833 488 D CB -0.344 40.692 40.800 0.393 0.000 0.954 488 D HN 0.486 nan 8.370 nan 0.000 0.455 489 L N -0.002 121.415 121.223 0.324 0.000 2.217 489 L HA -0.056 4.285 4.340 0.000 0.000 0.211 489 L C 2.366 179.379 176.870 0.237 0.000 1.107 489 L CA 0.507 55.549 54.840 0.337 0.000 0.783 489 L CB -0.163 42.056 42.059 0.267 0.000 0.919 489 L HN -0.052 nan 8.230 nan 0.000 0.442 490 R N 0.140 120.734 120.500 0.157 0.000 2.093 490 R HA -0.070 4.271 4.340 0.000 0.000 0.224 490 R C 2.123 178.442 176.300 0.032 0.000 1.101 490 R CA 1.650 57.802 56.100 0.088 0.000 0.979 490 R CB -0.712 29.628 30.300 0.067 0.000 0.877 490 R HN 0.092 nan 8.270 nan 0.000 0.441 491 T N 0.223 114.793 114.554 0.026 0.000 2.708 491 T HA -0.184 4.167 4.350 0.000 0.000 0.266 491 T C 1.234 175.843 174.700 -0.153 0.000 1.037 491 T CA 1.658 63.709 62.100 -0.081 0.000 1.146 491 T CB -0.591 68.225 68.868 -0.087 0.000 0.865 491 T HN 0.288 nan 8.240 nan 0.000 0.435 492 Y N 2.027 122.184 120.300 -0.240 0.000 2.193 492 Y HA -0.161 4.389 4.550 0.000 0.000 0.285 492 Y C 2.291 178.074 175.900 -0.194 0.000 1.166 492 Y CA 1.245 59.127 58.100 -0.362 0.000 1.181 492 Y CB -0.216 37.959 38.460 -0.475 0.000 0.976 492 Y HN 0.084 nan 8.280 nan 0.000 0.520 493 K N -0.107 120.213 120.400 -0.134 0.000 2.057 493 K HA -0.209 4.111 4.320 0.000 0.000 0.207 493 K C 2.259 178.745 176.600 -0.190 0.000 1.049 493 K CA 1.625 57.816 56.287 -0.159 0.000 0.931 493 K CB -0.140 32.342 32.500 -0.030 0.000 0.714 493 K HN 0.245 nan 8.250 nan 0.000 0.440 494 K N 0.169 120.471 120.400 -0.163 0.000 2.116 494 K HA -0.079 4.241 4.320 0.000 0.000 0.203 494 K C 1.681 178.168 176.600 -0.188 0.000 1.052 494 K CA 1.697 57.896 56.287 -0.147 0.000 0.952 494 K CB 0.279 32.713 32.500 -0.111 0.000 0.729 494 K HN 0.219 nan 8.250 nan 0.000 0.446 495 T N -5.089 109.299 114.554 -0.277 0.000 2.954 495 T HA 0.228 4.578 4.350 0.000 0.000 0.252 495 T C 1.123 175.674 174.700 -0.248 0.000 0.983 495 T CA 0.472 62.410 62.100 -0.271 0.000 0.941 495 T CB 0.832 69.401 68.868 -0.498 0.000 1.141 495 T HN 0.253 nan 8.240 nan 0.000 0.500 496 G N 2.150 110.703 108.800 -0.412 0.000 2.136 496 G HA2 -0.121 3.839 3.960 0.000 0.000 0.242 496 G HA3 -0.121 3.839 3.960 0.000 0.000 0.242 496 G C -0.078 174.801 174.900 -0.035 0.000 0.989 496 G CA 0.632 45.476 45.100 -0.426 0.000 0.682 496 G HN 1.284 nan 8.290 nan 0.000 0.522 497 H N -4.294 114.741 119.070 -0.058 0.000 2.960 497 H HA 0.668 5.224 4.556 0.000 0.000 0.323 497 H C 0.052 175.291 175.328 -0.150 0.000 1.326 497 H CA -1.355 54.662 56.048 -0.052 0.000 1.124 497 H CB 0.412 30.177 29.762 0.005 0.000 1.853 497 H HN -0.013 nan 8.280 nan 0.000 0.536 498 Y N -1.115 119.414 120.300 0.381 0.000 2.507 498 Y HA 0.169 4.719 4.550 0.000 0.000 0.254 498 Y C 0.368 176.433 175.900 0.275 0.000 1.171 498 Y CA -0.393 57.852 58.100 0.241 0.000 1.238 498 Y CB 0.830 39.369 38.460 0.131 0.000 1.148 498 Y HN 0.591 nan 8.280 nan 0.000 0.525 499 D N 1.119 121.856 120.400 0.561 0.000 2.483 499 D HA 0.226 4.866 4.640 0.000 0.000 0.220 499 D C 1.025 177.474 176.300 0.248 0.000 1.173 499 D CA 0.078 54.300 54.000 0.371 0.000 0.964 499 D CB 0.966 41.910 40.800 0.240 0.000 1.046 499 D HN 0.303 nan 8.370 nan 0.000 0.517 500 A N 4.292 127.168 122.820 0.094 0.000 2.172 500 A HA -0.110 4.211 4.320 0.000 0.000 0.216 500 A C 2.122 179.560 177.584 -0.243 0.000 1.154 500 A CA 0.608 52.552 52.037 -0.156 0.000 0.701 500 A CB -0.111 18.673 19.000 -0.361 0.000 0.789 500 A HN 0.511 nan 8.150 nan 0.000 0.465 501 R N -0.369 120.053 120.500 -0.130 0.000 2.091 501 R HA -0.148 4.193 4.340 0.000 0.000 0.238 501 R C 2.452 178.719 176.300 -0.055 0.000 1.136 501 R CA 1.407 57.451 56.100 -0.092 0.000 0.959 501 R CB -0.406 29.936 30.300 0.068 0.000 0.856 501 R HN 0.514 nan 8.270 nan 0.000 0.437 502 A N 0.315 123.132 122.820 -0.004 0.000 1.898 502 A HA -0.120 4.200 4.320 0.000 0.000 0.216 502 A C 2.122 179.692 177.584 -0.023 0.000 1.181 502 A CA 1.731 53.769 52.037 0.002 0.000 0.620 502 A CB -0.290 18.733 19.000 0.038 0.000 0.819 502 A HN 0.269 nan 8.150 nan 0.000 0.442 503 S N -0.326 115.349 115.700 -0.042 0.000 2.436 503 S HA 0.145 4.615 4.470 0.000 0.000 0.228 503 S C 0.757 175.315 174.600 -0.071 0.000 1.014 503 S CA 0.084 58.251 58.200 -0.056 0.000 0.950 503 S CB -0.427 62.729 63.200 -0.072 0.000 0.784 503 S HN 0.442 nan 8.310 nan 0.000 0.504 504 L N 2.499 123.657 121.223 -0.109 0.000 2.464 504 L HA 0.181 4.522 4.340 0.000 0.000 0.264 504 L C 0.831 177.661 176.870 -0.067 0.000 1.199 504 L CA -0.660 54.114 54.840 -0.109 0.000 0.818 504 L CB 0.136 42.086 42.059 -0.181 0.000 1.102 504 L HN 0.167 nan 8.230 nan 0.000 0.473 505 S N 0.602 116.271 115.700 -0.053 0.000 2.572 505 S HA 0.131 4.602 4.470 0.000 0.000 0.279 505 S C -1.909 172.668 174.600 -0.039 0.000 1.341 505 S CA -1.077 57.099 58.200 -0.040 0.000 1.043 505 S CB 0.803 63.980 63.200 -0.039 0.000 0.887 505 S HN 0.415 nan 8.310 nan 0.000 0.516 506 P HA -0.099 nan 4.420 nan 0.000 0.218 506 P C 1.417 178.704 177.300 -0.021 0.000 1.146 506 P CA 1.751 64.838 63.100 -0.023 0.000 0.813 506 P CB -0.135 31.552 31.700 -0.020 0.000 0.778 507 A N -0.614 122.188 122.820 -0.030 0.000 1.897 507 A HA -0.130 4.190 4.320 0.000 0.000 0.215 507 A C 2.203 179.775 177.584 -0.020 0.000 1.181 507 A CA 2.191 54.210 52.037 -0.030 0.000 0.620 507 A CB -1.795 17.177 19.000 -0.047 0.000 0.821 507 A HN 0.325 nan 8.150 nan 0.000 0.443 508 T N -2.750 111.790 114.554 -0.023 0.000 3.023 508 T HA -0.057 4.294 4.350 0.000 0.000 0.266 508 T C 1.660 176.376 174.700 0.025 0.000 1.093 508 T CA 1.200 63.297 62.100 -0.005 0.000 1.129 508 T CB -0.124 68.734 68.868 -0.017 0.000 0.899 508 T HN 0.414 nan 8.240 nan 0.000 0.491 509 E N 1.905 122.108 120.200 0.004 0.000 2.106 509 E HA -0.137 4.213 4.350 0.000 0.000 0.192 509 E C 2.332 178.990 176.600 0.096 0.000 0.984 509 E CA 0.814 57.237 56.400 0.038 0.000 0.806 509 E CB -0.156 29.543 29.700 -0.002 0.000 0.750 509 E HN 0.577 nan 8.360 nan 0.000 0.458 510 R N 0.050 120.577 120.500 0.044 0.000 2.073 510 R HA -0.157 4.184 4.340 0.000 0.000 0.234 510 R C 2.582 178.900 176.300 0.029 0.000 1.134 510 R CA 1.343 57.460 56.100 0.027 0.000 0.952 510 R CB -0.453 29.848 30.300 0.002 0.000 0.850 510 R HN 0.149 nan 8.270 nan 0.000 0.433 511 L N 0.062 121.306 121.223 0.035 0.000 2.027 511 L HA -0.174 4.167 4.340 0.000 0.000 0.206 511 L C 2.227 179.119 176.870 0.036 0.000 1.074 511 L CA 1.580 56.433 54.840 0.021 0.000 0.745 511 L CB -0.768 41.300 42.059 0.015 0.000 0.898 511 L HN 0.116 nan 8.230 nan 0.000 0.433 512 Y N -0.326 119.941 120.300 -0.056 0.000 2.102 512 Y HA -0.330 4.221 4.550 0.001 0.000 0.280 512 Y C 2.529 178.381 175.900 -0.080 0.000 1.178 512 Y CA 2.290 60.348 58.100 -0.070 0.000 1.146 512 Y CB -0.482 37.952 38.460 -0.043 0.000 0.968 512 Y HN 0.243 nan 8.280 nan 0.000 0.504 513 S N -0.015 115.719 115.700 0.057 0.000 2.436 513 S HA -0.028 4.443 4.470 0.000 0.000 0.228 513 S C 2.155 176.709 174.600 -0.077 0.000 1.014 513 S CA 0.606 58.778 58.200 -0.046 0.000 0.950 513 S CB -0.535 62.707 63.200 0.071 0.000 0.784 513 S HN 0.661 nan 8.310 nan 0.000 0.504 514 A N 1.144 123.929 122.820 -0.058 0.000 1.877 514 A HA -0.040 4.280 4.320 0.000 0.000 0.216 514 A C 2.275 179.815 177.584 -0.073 0.000 1.186 514 A CA 1.439 53.444 52.037 -0.053 0.000 0.620 514 A CB -0.909 18.063 19.000 -0.047 0.000 0.822 514 A HN 0.334 nan 8.150 nan 0.000 0.443 515 V N 0.475 120.301 119.914 -0.147 0.000 2.295 515 V HA -0.253 3.867 4.120 0.000 0.000 0.246 515 V C 2.696 178.606 176.094 -0.305 0.000 1.049 515 V CA 2.102 64.270 62.300 -0.220 0.000 1.024 515 V CB -0.812 30.842 31.823 -0.281 0.000 0.648 515 V HN 0.470 nan 8.190 nan 0.000 0.447 516 R N -0.505 119.760 120.500 -0.391 0.000 2.152 516 R HA -0.171 4.169 4.340 0.000 0.000 0.232 516 R C 2.164 178.336 176.300 -0.215 0.000 1.117 516 R CA 1.747 57.606 56.100 -0.401 0.000 0.981 516 R CB -0.943 29.070 30.300 -0.479 0.000 0.870 516 R HN 0.748 nan 8.270 nan 0.000 0.451 517 H N 0.636 119.581 119.070 -0.208 0.000 2.326 517 H HA -0.024 4.532 4.556 0.001 0.000 0.301 517 H C 1.947 177.193 175.328 -0.136 0.000 1.081 517 H CA 1.728 57.691 56.048 -0.141 0.000 1.334 517 H CB 0.027 29.727 29.762 -0.103 0.000 1.385 517 H HN -0.130 nan 8.280 nan 0.000 0.504 518 V N 0.661 120.507 119.914 -0.112 0.000 2.287 518 V HA -0.256 3.864 4.120 0.000 0.000 0.248 518 V C 2.653 178.617 176.094 -0.218 0.000 1.053 518 V CA 1.780 63.996 62.300 -0.141 0.000 1.027 518 V CB -0.591 31.185 31.823 -0.079 0.000 0.646 518 V HN 0.656 nan 8.190 nan 0.000 0.447 519 V N -1.414 118.332 119.914 -0.280 0.000 3.129 519 V HA 0.400 4.521 4.120 0.000 0.000 0.259 519 V C 1.600 177.502 176.094 -0.320 0.000 1.116 519 V CA 1.096 63.155 62.300 -0.401 0.000 1.127 519 V CB -0.526 30.877 31.823 -0.699 0.000 0.742 519 V HN 0.864 nan 8.190 nan 0.000 0.474 520 G N -0.389 108.254 108.800 -0.261 0.000 2.137 520 G HA2 -0.247 3.713 3.960 0.000 0.000 0.237 520 G HA3 -0.247 3.713 3.960 0.000 0.000 0.237 520 G C 0.080 174.912 174.900 -0.113 0.000 1.002 520 G CA 0.456 45.441 45.100 -0.192 0.000 0.702 520 G HN 0.702 nan 8.290 nan 0.000 0.515 521 Q N 0.307 120.043 119.800 -0.107 0.000 2.394 521 Q HA 0.389 4.729 4.340 0.000 0.000 0.259 521 Q C 0.018 175.983 176.000 -0.059 0.000 1.021 521 Q CA -0.426 55.364 55.803 -0.023 0.000 0.805 521 Q CB 0.857 29.664 28.738 0.116 0.000 1.226 521 Q HN 0.453 nan 8.270 nan 0.000 0.476 522 K N 4.175 124.551 120.400 -0.040 0.000 2.249 522 K HA 0.336 4.656 4.320 0.000 0.000 0.280 522 K C -2.284 174.311 176.600 -0.009 0.000 1.033 522 K CA -1.672 54.592 56.287 -0.037 0.000 0.946 522 K CB 0.679 33.168 32.500 -0.017 0.000 1.005 522 K HN 0.302 nan 8.250 nan 0.000 0.469 523 P HA -0.036 nan 4.420 nan 0.000 0.264 523 P C -1.191 176.159 177.300 0.082 0.000 1.179 523 P CA 0.351 63.508 63.100 0.094 0.000 0.763 523 P CB 0.670 32.475 31.700 0.176 0.000 0.806 524 T N -0.081 114.536 114.554 0.105 0.000 2.840 524 T HA 0.195 4.545 4.350 0.000 0.000 0.317 524 T C 1.056 175.827 174.700 0.119 0.000 1.401 524 T CA -0.267 61.872 62.100 0.065 0.000 1.028 524 T CB 1.294 70.166 68.868 0.006 0.000 1.317 524 T HN 0.315 nan 8.240 nan 0.000 0.495 525 S N 0.810 116.545 115.700 0.060 0.000 2.383 525 S HA -0.146 4.324 4.470 0.000 0.000 0.227 525 S C 1.265 175.981 174.600 0.193 0.000 1.026 525 S CA 2.052 60.300 58.200 0.079 0.000 0.981 525 S CB -0.689 62.438 63.200 -0.122 0.000 0.818 525 S HN 0.856 nan 8.310 nan 0.000 0.472 526 D N 0.312 120.762 120.400 0.084 0.000 2.347 526 D HA 0.117 4.758 4.640 0.000 0.000 0.213 526 D C 0.657 176.891 176.300 -0.110 0.000 0.985 526 D CA 0.226 54.242 54.000 0.027 0.000 0.879 526 D CB 0.101 40.847 40.800 -0.089 0.000 0.919 526 D HN 0.104 nan 8.370 nan 0.000 0.526 527 R N 0.531 120.966 120.500 -0.108 0.000 2.564 527 R HA 0.399 4.739 4.340 0.000 0.000 0.284 527 R C -2.826 173.284 176.300 -0.317 0.000 1.031 527 R CA -1.975 53.836 56.100 -0.481 0.000 0.904 527 R CB 1.732 31.772 30.300 -0.434 0.000 1.199 527 R HN 0.049 nan 8.270 nan 0.000 0.443 528 P HA 0.076 nan 4.420 nan 0.000 0.282 528 P C 0.546 177.867 177.300 0.035 0.000 1.287 528 P CA -0.460 62.534 63.100 -0.177 0.000 0.792 528 P CB 0.628 32.163 31.700 -0.276 0.000 1.163 529 Y N 0.748 121.048 120.300 -0.001 0.000 2.069 529 Y HA -0.114 4.436 4.550 0.001 0.000 0.278 529 Y C 0.710 176.613 175.900 0.006 0.000 1.175 529 Y CA 1.525 59.620 58.100 -0.008 0.000 1.134 529 Y CB -0.364 38.090 38.460 -0.010 0.000 0.965 529 Y HN 0.057 nan 8.280 nan 0.000 0.498 530 I N 0.373 120.844 120.570 -0.166 0.000 2.382 530 I HA -0.015 4.156 4.170 0.000 0.000 0.286 530 I C 0.588 176.677 176.117 -0.046 0.000 1.002 530 I CA -0.875 60.280 61.300 -0.241 0.000 1.135 530 I CB 0.549 38.306 38.000 -0.406 0.000 1.288 530 I HN 0.513 nan 8.210 nan 0.000 0.448 531 W N 6.593 127.758 121.300 -0.225 0.000 3.096 531 W HA 0.171 4.832 4.660 0.000 0.000 0.271 531 W C 0.005 176.425 176.519 -0.166 0.000 0.983 531 W CA 0.345 57.563 57.345 -0.212 0.000 1.978 531 W CB 0.582 29.927 29.460 -0.191 0.000 1.175 531 W HN 0.359 nan 8.180 nan 0.000 0.559 532 N N 1.719 120.327 118.700 -0.154 0.000 2.466 532 N HA 0.062 4.802 4.740 0.000 0.000 0.294 532 N C 0.073 175.489 175.510 -0.156 0.000 1.129 532 N CA -0.127 52.783 53.050 -0.233 0.000 0.931 532 N CB 1.461 39.853 38.487 -0.160 0.000 1.193 532 N HN 0.011 nan 8.380 nan 0.000 0.500 533 D N 0.007 120.308 120.400 -0.165 0.000 2.269 533 D HA -0.107 4.534 4.640 0.000 0.000 0.208 533 D C 0.883 177.109 176.300 -0.123 0.000 0.963 533 D CA 1.057 54.968 54.000 -0.149 0.000 0.864 533 D CB -0.013 40.706 40.800 -0.135 0.000 0.936 533 D HN 0.571 nan 8.370 nan 0.000 0.505 534 N N 0.090 118.731 118.700 -0.099 0.000 2.276 534 N HA -0.010 4.730 4.740 0.000 0.000 0.212 534 N C 0.612 176.084 175.510 -0.063 0.000 1.127 534 N CA 0.071 53.075 53.050 -0.077 0.000 0.834 534 N CB 0.030 38.481 38.487 -0.061 0.000 1.014 534 N HN 0.120 nan 8.380 nan 0.000 0.491 535 E N -0.460 119.699 120.200 -0.069 0.000 2.460 535 E HA 0.051 4.402 4.350 0.000 0.000 0.200 535 E C -0.052 176.508 176.600 -0.066 0.000 1.011 535 E CA 0.187 56.561 56.400 -0.044 0.000 0.912 535 E CB 0.302 29.997 29.700 -0.008 0.000 0.953 535 E HN 0.493 nan 8.360 nan 0.000 0.494 536 Q N -0.472 119.253 119.800 -0.124 0.000 2.435 536 Q HA 0.373 4.714 4.340 0.000 0.000 0.282 536 Q C -0.462 175.404 176.000 -0.223 0.000 1.020 536 Q CA -0.975 54.718 55.803 -0.183 0.000 0.820 536 Q CB 0.846 29.402 28.738 -0.303 0.000 1.436 536 Q HN 0.023 nan 8.270 nan 0.000 0.395 537 G N 2.155 110.826 108.800 -0.216 0.000 2.448 537 G HA2 0.387 4.347 3.960 0.000 0.000 0.309 537 G HA3 0.387 4.347 3.960 0.000 0.000 0.309 537 G C 0.701 175.417 174.900 -0.307 0.000 1.027 537 G CA -0.509 44.472 45.100 -0.197 0.000 1.104 537 G HN 0.608 nan 8.290 nan 0.000 0.428 538 L N 1.951 122.991 121.223 -0.305 0.000 2.081 538 L HA -0.175 4.165 4.340 0.000 0.000 0.212 538 L C 2.745 179.533 176.870 -0.136 0.000 1.080 538 L CA 1.635 56.295 54.840 -0.299 0.000 0.754 538 L CB -0.193 41.733 42.059 -0.221 0.000 0.893 538 L HN 0.638 nan 8.230 nan 0.000 0.433 539 D N -0.026 120.320 120.400 -0.089 0.000 2.158 539 D HA -0.255 4.386 4.640 0.000 0.000 0.197 539 D C 1.639 177.939 176.300 0.001 0.000 0.995 539 D CA 1.509 55.491 54.000 -0.030 0.000 0.846 539 D CB -0.417 40.367 40.800 -0.025 0.000 0.941 539 D HN 0.451 nan 8.370 nan 0.000 0.456 540 E N -0.424 119.772 120.200 -0.005 0.000 2.152 540 E HA -0.130 4.220 4.350 0.000 0.000 0.192 540 E C 2.124 178.818 176.600 0.157 0.000 0.983 540 E CA 0.695 57.129 56.400 0.056 0.000 0.818 540 E CB -0.334 29.398 29.700 0.052 0.000 0.758 540 E HN 0.631 nan 8.360 nan 0.000 0.467 541 H N 0.620 119.686 119.070 -0.006 0.000 2.363 541 H HA -0.010 4.546 4.556 0.000 0.000 0.301 541 H C 2.356 177.687 175.328 0.004 0.000 1.074 541 H CA 0.581 56.638 56.048 0.014 0.000 1.354 541 H CB 0.126 29.923 29.762 0.057 0.000 1.397 541 H HN 0.082 nan 8.280 nan 0.000 0.516 542 I N 1.045 121.693 120.570 0.130 0.000 2.118 542 I HA -0.309 3.862 4.170 0.000 0.000 0.241 542 I C 2.886 179.026 176.117 0.040 0.000 1.070 542 I CA 1.130 62.465 61.300 0.058 0.000 1.327 542 I CB -0.386 37.633 38.000 0.032 0.000 1.034 542 I HN 0.265 nan 8.210 nan 0.000 0.405 543 A N 0.706 123.552 122.820 0.042 0.000 1.902 543 A HA -0.204 4.116 4.320 0.000 0.000 0.217 543 A C 2.395 179.990 177.584 0.018 0.000 1.181 543 A CA 1.601 53.654 52.037 0.027 0.000 0.623 543 A CB -0.569 18.446 19.000 0.025 0.000 0.818 543 A HN 0.329 nan 8.150 nan 0.000 0.443 544 R N -0.673 119.840 120.500 0.022 0.000 2.092 544 R HA 0.037 4.377 4.340 0.000 0.000 0.231 544 R C 1.984 178.272 176.300 -0.019 0.000 1.119 544 R CA 1.417 57.514 56.100 -0.005 0.000 0.970 544 R CB -0.413 29.873 30.300 -0.022 0.000 0.864 544 R HN 0.578 nan 8.270 nan 0.000 0.440 545 I N 0.217 120.776 120.570 -0.019 0.000 2.179 545 I HA -0.286 3.884 4.170 0.000 0.000 0.242 545 I C 2.124 178.226 176.117 -0.026 0.000 1.088 545 I CA 1.297 62.577 61.300 -0.034 0.000 1.357 545 I CB -0.252 37.724 38.000 -0.040 0.000 1.051 545 I HN 0.091 nan 8.210 nan 0.000 0.409 546 S N 0.895 116.586 115.700 -0.015 0.000 2.359 546 S HA -0.226 4.244 4.470 0.000 0.000 0.224 546 S C 2.267 176.864 174.600 -0.005 0.000 1.035 546 S CA 1.467 59.660 58.200 -0.012 0.000 1.018 546 S CB -0.517 62.684 63.200 0.001 0.000 0.876 546 S HN 0.558 nan 8.310 nan 0.000 0.448 547 A N 1.342 124.161 122.820 -0.001 0.000 1.933 547 A HA -0.196 4.124 4.320 0.000 0.000 0.218 547 A C 1.884 179.470 177.584 0.003 0.000 1.175 547 A CA 2.008 54.046 52.037 0.002 0.000 0.628 547 A CB -0.832 18.169 19.000 0.002 0.000 0.814 547 A HN 0.551 nan 8.150 nan 0.000 0.444 548 D N -0.429 119.969 120.400 -0.004 0.000 2.144 548 D HA -0.094 4.546 4.640 0.000 0.000 0.200 548 D C 1.760 178.060 176.300 0.000 0.000 0.978 548 D CA 1.242 55.242 54.000 -0.000 0.000 0.833 548 D CB -0.162 40.635 40.800 -0.006 0.000 0.961 548 D HN 0.505 nan 8.370 nan 0.000 0.470 549 I N 0.632 121.197 120.570 -0.009 0.000 2.142 549 I HA -0.246 3.925 4.170 0.000 0.000 0.240 549 I C 2.566 178.691 176.117 0.013 0.000 1.078 549 I CA 1.086 62.381 61.300 -0.010 0.000 1.343 549 I CB -0.537 37.445 38.000 -0.031 0.000 1.046 549 I HN 0.059 nan 8.210 nan 0.000 0.405 550 A N 0.819 123.650 122.820 0.018 0.000 1.948 550 A HA -0.197 4.124 4.320 0.000 0.000 0.220 550 A C 2.365 179.978 177.584 0.048 0.000 1.177 550 A CA 2.150 54.209 52.037 0.036 0.000 0.636 550 A CB -0.756 18.259 19.000 0.026 0.000 0.815 550 A HN 0.489 nan 8.150 nan 0.000 0.449 551 A N -2.061 120.780 122.820 0.035 0.000 2.251 551 A HA 0.428 4.748 4.320 0.000 0.000 0.209 551 A C 1.688 179.301 177.584 0.048 0.000 1.187 551 A CA 1.136 53.195 52.037 0.037 0.000 0.823 551 A CB -0.857 18.157 19.000 0.024 0.000 0.846 551 A HN 1.988 nan 8.150 nan 0.000 0.486 552 G N -1.089 107.741 108.800 0.050 0.000 2.182 552 G HA2 -0.034 3.927 3.960 0.000 0.000 0.248 552 G HA3 -0.034 3.927 3.960 0.000 0.000 0.248 552 G C 0.823 175.740 174.900 0.028 0.000 1.042 552 G CA 0.506 45.637 45.100 0.051 0.000 0.775 552 G HN 1.189 nan 8.290 nan 0.000 0.501 553 G N -0.671 108.140 108.800 0.017 0.000 2.522 553 G HA2 0.426 4.387 3.960 0.000 0.000 0.223 553 G HA3 0.426 4.387 3.960 0.000 0.000 0.223 553 G C 1.669 176.567 174.900 -0.002 0.000 1.565 553 G CA 1.875 46.981 45.100 0.011 0.000 1.053 553 G HN 1.372 nan 8.290 nan 0.000 0.547 554 V N -1.778 118.131 119.914 -0.008 0.000 2.951 554 V HA 0.106 4.227 4.120 0.000 0.000 0.255 554 V C 2.621 178.697 176.094 -0.031 0.000 1.088 554 V CA 1.042 63.322 62.300 -0.034 0.000 1.109 554 V CB -0.635 31.144 31.823 -0.074 0.000 0.724 554 V HN 0.535 nan 8.190 nan 0.000 0.471 555 I N 0.424 120.979 120.570 -0.024 0.000 2.252 555 I HA -0.146 4.025 4.170 0.000 0.000 0.245 555 I C 2.539 178.640 176.117 -0.026 0.000 1.102 555 I CA 1.458 62.740 61.300 -0.031 0.000 1.385 555 I CB -0.298 37.679 38.000 -0.038 0.000 1.064 555 I HN 0.203 nan 8.210 nan 0.000 0.414 556 V N 0.437 120.338 119.914 -0.021 0.000 2.358 556 V HA -0.268 3.853 4.120 0.000 0.000 0.246 556 V C 2.371 178.454 176.094 -0.017 0.000 1.047 556 V CA 1.714 64.001 62.300 -0.021 0.000 1.035 556 V CB -0.679 31.134 31.823 -0.015 0.000 0.658 556 V HN 0.459 nan 8.190 nan 0.000 0.452 557 Q N 0.008 119.799 119.800 -0.014 0.000 2.119 557 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 557 Q C 2.380 178.370 176.000 -0.016 0.000 0.972 557 Q CA 1.558 57.354 55.803 -0.013 0.000 0.847 557 Q CB -0.450 28.278 28.738 -0.017 0.000 0.903 557 Q HN 0.659 nan 8.270 nan 0.000 0.433 558 A N 0.824 123.632 122.820 -0.020 0.000 2.024 558 A HA -0.124 4.196 4.320 0.000 0.000 0.220 558 A C 1.896 179.472 177.584 -0.013 0.000 1.164 558 A CA 1.624 53.650 52.037 -0.018 0.000 0.643 558 A CB -0.376 18.613 19.000 -0.019 0.000 0.806 558 A HN 0.322 nan 8.150 nan 0.000 0.451 559 V N -3.739 116.169 119.914 -0.010 0.000 3.006 559 V HA 0.201 4.321 4.120 0.000 0.000 0.357 559 V C 1.138 177.234 176.094 0.005 0.000 1.377 559 V CA 0.189 62.487 62.300 -0.003 0.000 1.198 559 V CB -0.508 31.316 31.823 0.003 0.000 1.216 559 V HN 0.472 nan 8.190 nan 0.000 0.520 560 Q N 0.655 120.455 119.800 0.001 0.000 2.077 560 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 560 Q C 1.519 177.530 176.000 0.018 0.000 0.989 560 Q CA 2.405 58.212 55.803 0.007 0.000 0.853 560 Q CB -0.096 28.644 28.738 0.004 0.000 0.907 560 Q HN 0.672 nan 8.270 nan 0.000 0.418 561 D N -0.127 120.280 120.400 0.012 0.000 2.350 561 D HA -0.074 4.566 4.640 0.000 0.000 0.216 561 D C 1.485 177.805 176.300 0.033 0.000 0.968 561 D CA 0.798 54.807 54.000 0.014 0.000 0.894 561 D CB 0.030 40.827 40.800 -0.004 0.000 0.909 561 D HN 0.342 nan 8.370 nan 0.000 0.520 562 I N -0.201 120.400 120.570 0.052 0.000 2.585 562 I HA -0.033 4.137 4.170 0.000 0.000 0.254 562 I C 1.187 177.425 176.117 0.202 0.000 1.129 562 I CA 0.109 61.481 61.300 0.120 0.000 1.455 562 I CB 0.073 38.141 38.000 0.113 0.000 1.111 562 I HN -0.110 nan 8.210 nan 0.000 0.433 563 L N 0.000 121.291 121.223 0.113 0.000 2.949 563 L HA 0.000 4.340 4.340 0.000 0.000 0.249 563 L CA 0.000 54.885 54.840 0.075 0.000 0.813 563 L CB 0.000 42.066 42.059 0.012 0.000 0.961 563 L HN 0.000 nan 8.230 nan 0.000 0.502