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 1zmd_1_C DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TCLNVGCIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.304 177.300 0.007 0.000 1.155 4 P CA 0.000 63.105 63.100 0.007 0.000 0.800 4 P CB 0.000 31.705 31.700 0.008 0.000 0.726 5 I N 1.373 121.948 120.570 0.007 0.000 2.460 5 I HA 0.383 4.553 4.170 -0.000 0.000 0.298 5 I C 0.145 176.267 176.117 0.007 0.000 0.989 5 I CA -0.422 60.881 61.300 0.006 0.000 1.173 5 I CB 1.867 39.870 38.000 0.004 0.000 1.338 5 I HN 0.372 nan 8.210 nan 0.000 0.456 6 D N 3.501 123.906 120.400 0.008 0.000 2.193 6 D HA 0.760 5.400 4.640 -0.000 0.000 0.249 6 D C -0.453 175.854 176.300 0.010 0.000 1.034 6 D CA 0.039 54.046 54.000 0.011 0.000 0.902 6 D CB 1.938 42.746 40.800 0.013 0.000 1.182 6 D HN 0.754 nan 8.370 nan 0.000 0.436 7 A N 1.558 124.386 122.820 0.013 0.000 2.589 7 A HA 0.376 4.696 4.320 -0.000 0.000 0.296 7 A C -0.250 177.346 177.584 0.019 0.000 1.062 7 A CA -0.634 51.409 52.037 0.010 0.000 0.686 7 A CB 1.415 20.410 19.000 -0.008 0.000 1.282 7 A HN 0.452 nan 8.150 nan 0.000 0.404 8 D N -0.274 120.146 120.400 0.034 0.000 2.201 8 D HA 0.171 4.811 4.640 -0.000 0.000 0.209 8 D C 0.153 176.397 176.300 -0.094 0.000 0.961 8 D CA 1.667 55.698 54.000 0.053 0.000 0.861 8 D CB 0.603 41.557 40.800 0.256 0.000 0.997 8 D HN 0.288 nan 8.370 nan 0.000 0.486 9 V N 0.975 120.804 119.914 -0.141 0.000 2.525 9 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 9 V C -0.398 175.617 176.094 -0.132 0.000 1.034 9 V CA -0.593 61.573 62.300 -0.223 0.000 0.863 9 V CB 2.092 33.670 31.823 -0.408 0.000 0.999 9 V HN -0.156 nan 8.190 nan 0.000 0.423 10 T N 4.219 118.715 114.554 -0.096 0.000 2.809 10 T HA 0.457 4.807 4.350 -0.000 0.000 0.296 10 T C -0.269 174.398 174.700 -0.055 0.000 1.015 10 T CA -0.319 61.744 62.100 -0.061 0.000 0.954 10 T CB 1.343 70.195 68.868 -0.027 0.000 0.950 10 T HN 0.352 nan 8.240 nan 0.000 0.450 11 V N 5.643 125.520 119.914 -0.062 0.000 2.385 11 V HA 0.368 4.488 4.120 -0.000 0.000 0.269 11 V C 0.264 176.356 176.094 -0.004 0.000 1.043 11 V CA -0.651 61.623 62.300 -0.042 0.000 0.906 11 V CB 0.692 32.481 31.823 -0.057 0.000 0.995 11 V HN 0.805 nan 8.190 nan 0.000 0.467 12 I N 5.328 125.900 120.570 0.004 0.000 2.269 12 I HA 0.662 4.832 4.170 -0.000 0.000 0.293 12 I C 0.783 176.910 176.117 0.016 0.000 1.106 12 I CA 0.252 61.559 61.300 0.010 0.000 1.248 12 I CB 0.546 38.548 38.000 0.003 0.000 1.444 12 I HN 0.841 nan 8.210 nan 0.000 0.497 13 G N 3.305 112.125 108.800 0.033 0.000 2.634 13 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.568 13 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.568 13 G C -0.150 174.801 174.900 0.085 0.000 1.495 13 G CA -0.360 44.763 45.100 0.039 0.000 0.903 13 G HN 0.545 nan 8.290 nan 0.000 0.646 14 S N 0.742 116.491 115.700 0.082 0.000 2.561 14 S HA 0.598 5.068 4.470 -0.000 0.000 0.245 14 S C 1.222 175.893 174.600 0.119 0.000 1.001 14 S CA 0.573 58.852 58.200 0.131 0.000 1.002 14 S CB 0.718 63.937 63.200 0.031 0.000 0.805 14 S HN 1.727 nan 8.310 nan 0.000 0.458 15 G N 2.620 111.486 108.800 0.110 0.000 2.588 15 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 15 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 15 G C -1.174 173.879 174.900 0.255 0.000 1.307 15 G CA -1.560 43.608 45.100 0.114 0.000 1.016 15 G HN 0.184 nan 8.290 nan 0.000 0.503 16 P HA -0.169 nan 4.420 nan 0.000 0.217 16 P C 1.812 179.079 177.300 -0.054 0.000 1.151 16 P CA 1.955 65.156 63.100 0.168 0.000 0.849 16 P CB -0.093 31.666 31.700 0.100 0.000 0.787 17 G N -0.000 108.783 108.800 -0.028 0.000 2.414 17 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 17 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 17 G C 1.896 176.743 174.900 -0.090 0.000 1.188 17 G CA 0.951 45.999 45.100 -0.087 0.000 0.783 17 G HN 0.372 nan 8.290 nan 0.000 0.537 18 G N 0.403 109.199 108.800 -0.006 0.000 2.414 18 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 18 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 18 G C 1.740 176.696 174.900 0.093 0.000 1.188 18 G CA 1.351 46.470 45.100 0.031 0.000 0.783 18 G HN 0.608 nan 8.290 nan 0.000 0.537 19 Y N 0.761 121.126 120.300 0.108 0.000 2.274 19 Y HA 0.056 4.606 4.550 -0.000 0.000 0.290 19 Y C 2.352 178.374 175.900 0.203 0.000 1.145 19 Y CA 1.179 59.439 58.100 0.266 0.000 1.203 19 Y CB -0.518 37.983 38.460 0.068 0.000 0.984 19 Y HN 0.018 nan 8.280 nan 0.000 0.533 20 V N 1.076 120.541 119.914 -0.748 0.000 2.488 20 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 20 V C 2.813 178.761 176.094 -0.243 0.000 1.046 20 V CA 1.466 63.401 62.300 -0.607 0.000 1.053 20 V CB -1.180 30.291 31.823 -0.586 0.000 0.679 20 V HN 0.633 nan 8.190 nan 0.000 0.458 21 A N 0.168 122.874 122.820 -0.190 0.000 1.902 21 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 21 A C 2.433 179.948 177.584 -0.116 0.000 1.181 21 A CA 2.043 53.990 52.037 -0.149 0.000 0.623 21 A CB -0.763 18.145 19.000 -0.154 0.000 0.818 21 A HN 0.540 nan 8.150 nan 0.000 0.443 22 A N 0.146 122.917 122.820 -0.083 0.000 1.865 22 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 22 A C 2.148 179.670 177.584 -0.103 0.000 1.191 22 A CA 1.624 53.583 52.037 -0.131 0.000 0.623 22 A CB -0.701 18.163 19.000 -0.226 0.000 0.826 22 A HN 0.496 nan 8.150 nan 0.000 0.444 23 I N -0.787 119.783 120.570 -0.000 0.000 2.127 23 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 23 I C 2.575 178.693 176.117 0.002 0.000 1.075 23 I CA 1.993 63.316 61.300 0.040 0.000 1.334 23 I CB -0.277 37.797 38.000 0.124 0.000 1.040 23 I HN 0.264 nan 8.210 nan 0.000 0.405 24 K N 1.474 121.861 120.400 -0.022 0.000 2.097 24 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 24 K C 2.004 178.623 176.600 0.032 0.000 1.049 24 K CA 1.658 57.938 56.287 -0.012 0.000 0.933 24 K CB -0.387 32.088 32.500 -0.043 0.000 0.717 24 K HN 0.313 nan 8.250 nan 0.000 0.442 25 A N 0.401 123.238 122.820 0.028 0.000 1.902 25 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 25 A C 2.368 180.073 177.584 0.202 0.000 1.181 25 A CA 1.950 54.073 52.037 0.144 0.000 0.623 25 A CB -1.070 17.903 19.000 -0.045 0.000 0.818 25 A HN 0.396 nan 8.150 nan 0.000 0.443 26 A N -0.411 122.448 122.820 0.066 0.000 1.865 26 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 26 A C 2.081 179.682 177.584 0.028 0.000 1.191 26 A CA 1.704 53.764 52.037 0.040 0.000 0.623 26 A CB -0.724 18.266 19.000 -0.016 0.000 0.826 26 A HN 0.649 nan 8.150 nan 0.000 0.444 27 Q N -0.612 119.200 119.800 0.020 0.000 2.364 27 Q HA 0.004 4.344 4.340 -0.000 0.000 0.209 27 Q C 1.390 177.381 176.000 -0.015 0.000 0.977 27 Q CA 0.795 56.599 55.803 0.002 0.000 0.885 27 Q CB -0.254 28.486 28.738 0.003 0.000 0.941 27 Q HN 0.650 nan 8.270 nan 0.000 0.464 28 L N -0.660 120.563 121.223 -0.000 0.000 2.611 28 L HA 0.174 4.514 4.340 -0.000 0.000 0.229 28 L C 0.770 177.490 176.870 -0.249 0.000 1.137 28 L CA 0.216 55.012 54.840 -0.073 0.000 0.901 28 L CB 0.125 42.197 42.059 0.022 0.000 1.098 28 L HN 0.347 nan 8.230 nan 0.000 0.456 29 G N -0.053 108.639 108.800 -0.179 0.000 2.165 29 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 29 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 29 G C -0.311 174.406 174.900 -0.306 0.000 1.035 29 G CA -0.535 44.425 45.100 -0.235 0.000 0.744 29 G HN 0.116 nan 8.290 nan 0.000 0.501 30 F N -0.121 119.805 119.950 -0.041 0.000 2.469 30 F HA 0.643 5.170 4.527 -0.000 0.000 0.332 30 F C 0.522 176.293 175.800 -0.049 0.000 1.103 30 F CA -1.651 56.322 58.000 -0.045 0.000 0.979 30 F CB 1.980 40.946 39.000 -0.058 0.000 1.137 30 F HN 0.040 nan 8.300 nan 0.000 0.463 31 K N 2.188 122.701 120.400 0.188 0.000 2.338 31 K HA 0.334 4.654 4.320 -0.000 0.000 0.290 31 K C -0.923 175.705 176.600 0.046 0.000 1.069 31 K CA 0.229 56.562 56.287 0.077 0.000 0.941 31 K CB 0.011 32.546 32.500 0.059 0.000 1.023 31 K HN 0.629 nan 8.250 nan 0.000 0.477 32 T N 3.718 118.269 114.554 -0.004 0.000 2.829 32 T HA 0.474 4.824 4.350 -0.000 0.000 0.280 32 T C -0.974 173.662 174.700 -0.107 0.000 0.999 32 T CA -0.789 61.270 62.100 -0.068 0.000 0.983 32 T CB 1.464 70.273 68.868 -0.098 0.000 0.968 32 T HN 0.286 nan 8.240 nan 0.000 0.446 33 V N 1.879 121.731 119.914 -0.103 0.000 2.604 33 V HA 0.588 4.708 4.120 -0.000 0.000 0.305 33 V C -0.377 175.658 176.094 -0.099 0.000 1.043 33 V CA -0.842 61.406 62.300 -0.087 0.000 0.888 33 V CB 1.848 33.648 31.823 -0.038 0.000 0.995 33 V HN 1.097 nan 8.190 nan 0.000 0.429 34 C N 6.824 126.075 119.300 -0.082 0.000 2.346 34 C HA 0.674 5.134 4.460 -0.000 0.000 0.326 34 C C -0.365 174.701 174.990 0.126 0.000 1.224 34 C CA -0.526 58.482 59.018 -0.018 0.000 1.408 34 C CB -0.541 27.137 27.740 -0.103 0.000 2.089 34 C HN 0.807 nan 8.230 nan 0.000 0.456 35 I N 4.922 125.551 120.570 0.098 0.000 2.336 35 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 35 I C -0.299 175.886 176.117 0.114 0.000 0.991 35 I CA 0.184 61.553 61.300 0.115 0.000 1.227 35 I CB 1.359 39.391 38.000 0.054 0.000 1.366 35 I HN 0.592 nan 8.210 nan 0.000 0.466 36 E N 6.008 126.308 120.200 0.167 0.000 2.244 36 E HA 0.213 4.563 4.350 -0.000 0.000 0.260 36 E C 0.256 176.912 176.600 0.094 0.000 0.884 36 E CA -0.781 55.690 56.400 0.117 0.000 0.777 36 E CB 1.313 31.097 29.700 0.140 0.000 1.197 36 E HN 0.566 nan 8.360 nan 0.000 0.416 37 K N 2.612 123.019 120.400 0.012 0.000 2.288 37 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 37 K C 0.218 176.854 176.600 0.061 0.000 1.048 37 K CA 0.369 56.677 56.287 0.035 0.000 0.956 37 K CB 0.020 32.492 32.500 -0.046 0.000 0.746 37 K HN 0.193 nan 8.250 nan 0.000 0.461 38 N N 2.140 120.860 118.700 0.033 0.000 2.413 38 N HA -0.019 4.721 4.740 -0.000 0.000 0.266 38 N C 0.519 176.055 175.510 0.044 0.000 1.238 38 N CA -0.279 52.786 53.050 0.025 0.000 0.972 38 N CB 0.899 39.379 38.487 -0.012 0.000 1.210 38 N HN 0.320 nan 8.380 nan 0.000 0.547 39 E N -1.672 118.545 120.200 0.028 0.000 2.511 39 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 39 E C -0.176 176.442 176.600 0.030 0.000 1.066 39 E CA 0.301 56.722 56.400 0.035 0.000 0.871 39 E CB -0.130 29.582 29.700 0.021 0.000 0.863 39 E HN 0.616 nan 8.360 nan 0.000 0.520 40 T N -1.734 112.822 114.554 0.002 0.000 2.864 40 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 40 T C -0.258 174.392 174.700 -0.083 0.000 1.166 40 T CA -1.019 61.058 62.100 -0.037 0.000 1.007 40 T CB 1.605 70.437 68.868 -0.060 0.000 1.219 40 T HN 0.035 nan 8.240 nan 0.000 0.506 41 L N 0.684 121.803 121.223 -0.173 0.000 2.431 41 L HA 0.668 5.008 4.340 -0.000 0.000 0.260 41 L C 1.669 178.380 176.870 -0.264 0.000 1.098 41 L CA 0.086 54.769 54.840 -0.262 0.000 0.800 41 L CB 0.736 42.513 42.059 -0.471 0.000 1.210 41 L HN 1.220 nan 8.230 nan 0.000 0.465 42 G N -0.460 108.176 108.800 -0.274 0.000 2.218 42 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 42 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 42 G C 0.626 175.464 174.900 -0.104 0.000 0.994 42 G CA -0.057 44.893 45.100 -0.249 0.000 0.637 42 G HN 1.384 nan 8.290 nan 0.000 0.505 43 G N -0.621 108.133 108.800 -0.076 0.000 2.578 43 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.275 43 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.275 43 G C 1.117 175.987 174.900 -0.049 0.000 1.271 43 G CA 1.407 46.478 45.100 -0.047 0.000 0.941 43 G HN 1.324 nan 8.290 nan 0.000 0.564 44 T N -0.258 114.272 114.554 -0.039 0.000 2.652 44 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 44 T C 2.529 177.214 174.700 -0.025 0.000 1.039 44 T CA 2.941 65.021 62.100 -0.034 0.000 1.153 44 T CB -0.895 67.959 68.868 -0.023 0.000 0.863 44 T HN 1.235 nan 8.240 nan 0.000 0.428 45 C N 1.249 120.540 119.300 -0.015 0.000 2.367 45 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 45 C C 2.560 177.529 174.990 -0.034 0.000 1.195 45 C CA 1.022 60.033 59.018 -0.012 0.000 1.756 45 C CB -1.462 26.285 27.740 0.012 0.000 2.046 45 C HN 0.466 nan 8.230 nan 0.000 0.453 46 L N 1.512 122.703 121.223 -0.053 0.000 2.027 46 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 46 L C 2.590 179.419 176.870 -0.069 0.000 1.074 46 L CA 2.091 56.885 54.840 -0.078 0.000 0.745 46 L CB -0.753 41.229 42.059 -0.128 0.000 0.898 46 L HN 0.497 nan 8.230 nan 0.000 0.433 47 N N -0.859 117.803 118.700 -0.064 0.000 2.305 47 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 47 N C 1.122 176.610 175.510 -0.036 0.000 1.019 47 N CA 1.695 54.713 53.050 -0.053 0.000 0.869 47 N CB 0.471 38.924 38.487 -0.056 0.000 1.000 47 N HN 0.341 nan 8.380 nan 0.000 0.431 48 V N -3.516 116.380 119.914 -0.030 0.000 3.111 48 V HA 0.624 4.744 4.120 -0.000 0.000 0.343 48 V C 0.657 176.747 176.094 -0.006 0.000 1.417 48 V CA -0.142 62.149 62.300 -0.015 0.000 1.142 48 V CB 0.529 32.344 31.823 -0.014 0.000 1.114 48 V HN 0.139 nan 8.190 nan 0.000 0.520 49 G N -0.191 108.600 108.800 -0.014 0.000 3.088 49 G HA2 0.101 4.061 3.960 -0.000 0.000 0.197 49 G HA3 0.101 4.061 3.960 -0.000 0.000 0.197 49 G C 1.213 176.102 174.900 -0.019 0.000 1.611 49 G CA 0.664 45.760 45.100 -0.006 0.000 0.771 49 G HN 0.358 nan 8.290 nan 0.000 0.789 50 C N 0.824 120.108 119.300 -0.027 0.000 2.398 50 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 50 C C 2.737 177.667 174.990 -0.101 0.000 1.222 50 C CA 1.471 60.451 59.018 -0.063 0.000 1.746 50 C CB -1.213 26.497 27.740 -0.050 0.000 2.039 50 C HN 0.364 nan 8.230 nan 0.000 0.470 51 I N 2.920 123.443 120.570 -0.079 0.000 2.113 51 I HA -0.055 4.115 4.170 -0.000 0.000 0.238 51 I C 0.206 176.277 176.117 -0.077 0.000 1.070 51 I CA 1.776 63.025 61.300 -0.085 0.000 1.332 51 I CB -2.970 34.988 38.000 -0.072 0.000 1.044 51 I HN 0.337 nan 8.210 nan 0.000 0.402 52 P HA -0.117 nan 4.420 nan 0.000 0.216 52 P C 1.889 179.156 177.300 -0.055 0.000 1.153 52 P CA 2.135 65.207 63.100 -0.047 0.000 0.848 52 P CB -0.077 31.606 31.700 -0.027 0.000 0.787 53 S N 0.203 115.873 115.700 -0.050 0.000 2.368 53 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 53 S C 2.075 176.625 174.600 -0.084 0.000 1.030 53 S CA 1.161 59.332 58.200 -0.048 0.000 0.999 53 S CB -0.964 62.229 63.200 -0.011 0.000 0.844 53 S HN -0.007 nan 8.310 nan 0.000 0.459 54 K N 2.076 122.396 120.400 -0.133 0.000 2.097 54 K HA 0.256 4.576 4.320 -0.000 0.000 0.206 54 K C 2.371 178.901 176.600 -0.117 0.000 1.049 54 K CA 1.166 57.346 56.287 -0.178 0.000 0.933 54 K CB -0.933 31.385 32.500 -0.303 0.000 0.717 54 K HN 0.495 nan 8.250 nan 0.000 0.442 55 A N 0.672 123.436 122.820 -0.095 0.000 1.877 55 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 55 A C 2.089 179.626 177.584 -0.077 0.000 1.186 55 A CA 1.419 53.416 52.037 -0.067 0.000 0.620 55 A CB -0.708 18.259 19.000 -0.055 0.000 0.822 55 A HN 0.208 nan 8.150 nan 0.000 0.443 56 L N -0.875 120.285 121.223 -0.104 0.000 2.093 56 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 56 L C 2.572 179.352 176.870 -0.150 0.000 1.085 56 L CA 0.920 55.664 54.840 -0.161 0.000 0.755 56 L CB -0.596 41.329 42.059 -0.224 0.000 0.904 56 L HN 0.364 nan 8.230 nan 0.000 0.435 57 L N -0.372 120.789 121.223 -0.105 0.000 2.046 57 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 57 L C 2.501 179.329 176.870 -0.069 0.000 1.077 57 L CA 1.211 56.015 54.840 -0.061 0.000 0.747 57 L CB -0.589 41.466 42.059 -0.007 0.000 0.896 57 L HN 0.355 nan 8.230 nan 0.000 0.432 58 N N -0.041 118.603 118.700 -0.094 0.000 2.106 58 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 58 N C 1.575 176.994 175.510 -0.152 0.000 1.029 58 N CA 1.328 54.281 53.050 -0.162 0.000 0.848 58 N CB -0.215 38.225 38.487 -0.078 0.000 1.007 58 N HN 0.367 nan 8.380 nan 0.000 0.423 59 N N 0.640 119.323 118.700 -0.028 0.000 2.188 59 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 59 N C 1.905 177.433 175.510 0.030 0.000 1.018 59 N CA 1.121 54.203 53.050 0.053 0.000 0.858 59 N CB -0.527 37.965 38.487 0.007 0.000 0.989 59 N HN 0.306 nan 8.380 nan 0.000 0.426 60 S N 0.006 115.678 115.700 -0.047 0.000 2.402 60 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 60 S C 1.919 176.558 174.600 0.064 0.000 1.021 60 S CA 1.032 59.219 58.200 -0.023 0.000 0.974 60 S CB -0.528 62.592 63.200 -0.134 0.000 0.800 60 S HN 0.465 nan 8.310 nan 0.000 0.484 61 H N 0.766 119.777 119.070 -0.097 0.000 2.321 61 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 61 H C 1.672 176.939 175.328 -0.102 0.000 1.087 61 H CA 1.979 57.943 56.048 -0.140 0.000 1.319 61 H CB -0.716 28.841 29.762 -0.341 0.000 1.379 61 H HN 0.425 nan 8.280 nan 0.000 0.501 62 Y N -0.754 119.422 120.300 -0.206 0.000 2.224 62 Y HA -0.189 4.361 4.550 -0.000 0.000 0.289 62 Y C 2.477 178.202 175.900 -0.291 0.000 1.146 62 Y CA 1.257 59.176 58.100 -0.302 0.000 1.182 62 Y CB -1.264 37.129 38.460 -0.113 0.000 0.983 62 Y HN 0.371 nan 8.280 nan 0.000 0.524 63 Y N -0.079 120.179 120.300 -0.069 0.000 2.181 63 Y HA -0.290 4.260 4.550 -0.000 0.000 0.288 63 Y C 2.835 178.696 175.900 -0.065 0.000 1.146 63 Y CA 2.173 60.220 58.100 -0.088 0.000 1.164 63 Y CB -0.959 37.449 38.460 -0.087 0.000 0.982 63 Y HN 0.334 nan 8.280 nan 0.000 0.515 64 H N -0.703 118.219 119.070 -0.246 0.000 2.352 64 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 64 H C 1.906 177.038 175.328 -0.325 0.000 1.097 64 H CA 1.547 57.438 56.048 -0.261 0.000 1.311 64 H CB 0.101 29.785 29.762 -0.129 0.000 1.377 64 H HN 0.297 nan 8.280 nan 0.000 0.504 65 M N 0.325 119.613 119.600 -0.521 0.000 2.175 65 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 65 M C 2.671 178.526 176.300 -0.741 0.000 1.063 65 M CA 1.186 56.114 55.300 -0.620 0.000 1.119 65 M CB -0.945 31.282 32.600 -0.620 0.000 1.377 65 M HN 0.423 nan 8.290 nan 0.000 0.415 66 A N -1.118 121.189 122.820 -0.856 0.000 1.898 66 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 66 A C 2.144 179.515 177.584 -0.355 0.000 1.183 66 A CA 1.192 52.787 52.037 -0.738 0.000 0.622 66 A CB -0.923 17.726 19.000 -0.585 0.000 0.824 66 A HN 0.544 nan 8.150 nan 0.000 0.444 67 H N -0.152 118.607 119.070 -0.519 0.000 2.470 67 H HA 0.069 4.625 4.556 -0.000 0.000 0.289 67 H C 1.398 176.585 175.328 -0.235 0.000 1.033 67 H CA 1.118 56.894 56.048 -0.454 0.000 1.331 67 H CB -0.044 29.178 29.762 -0.900 0.000 1.414 67 H HN 0.440 nan 8.280 nan 0.000 0.545 68 G N -0.637 108.086 108.800 -0.128 0.000 2.666 68 G HA2 0.039 3.999 3.960 -0.000 0.000 0.207 68 G HA3 0.039 3.999 3.960 -0.000 0.000 0.207 68 G C 0.814 175.661 174.900 -0.089 0.000 1.481 68 G CA 0.336 45.400 45.100 -0.060 0.000 1.071 68 G HN 0.299 nan 8.290 nan 0.000 0.572 69 T N -0.649 113.878 114.554 -0.046 0.000 3.065 69 T HA 0.047 4.397 4.350 -0.000 0.000 0.252 69 T C 1.639 176.340 174.700 0.002 0.000 1.099 69 T CA 0.983 63.071 62.100 -0.021 0.000 1.063 69 T CB 0.043 68.911 68.868 0.000 0.000 0.948 69 T HN 0.507 nan 8.240 nan 0.000 0.506 70 D N 0.981 121.370 120.400 -0.018 0.000 2.087 70 D HA -0.125 4.515 4.640 -0.000 0.000 0.192 70 D C 1.524 177.939 176.300 0.191 0.000 0.993 70 D CA 1.185 55.219 54.000 0.056 0.000 0.828 70 D CB -0.152 40.657 40.800 0.016 0.000 0.968 70 D HN 0.178 nan 8.370 nan 0.000 0.448 71 F N 0.774 120.669 119.950 -0.092 0.000 2.171 71 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 71 F C 2.440 178.207 175.800 -0.055 0.000 1.090 71 F CA 0.928 58.886 58.000 -0.071 0.000 1.293 71 F CB -1.105 37.848 39.000 -0.078 0.000 1.013 71 F HN 0.041 nan 8.300 nan 0.000 0.486 72 A N -0.259 122.633 122.820 0.120 0.000 1.933 72 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 72 A C 2.349 179.942 177.584 0.015 0.000 1.175 72 A CA 1.905 53.968 52.037 0.042 0.000 0.628 72 A CB -1.147 17.864 19.000 0.019 0.000 0.814 72 A HN 0.400 nan 8.150 nan 0.000 0.444 73 S N -0.351 115.362 115.700 0.021 0.000 2.474 73 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 73 S C 1.571 176.164 174.600 -0.011 0.000 0.997 73 S CA 1.085 59.290 58.200 0.008 0.000 0.949 73 S CB -0.330 62.881 63.200 0.018 0.000 0.766 73 S HN 0.623 nan 8.310 nan 0.000 0.517 74 R N 0.497 120.975 120.500 -0.035 0.000 2.359 74 R HA 0.333 4.673 4.340 -0.000 0.000 0.231 74 R C 1.323 177.568 176.300 -0.093 0.000 0.913 74 R CA 0.353 56.404 56.100 -0.081 0.000 1.075 74 R CB 0.100 30.305 30.300 -0.159 0.000 1.087 74 R HN 0.539 nan 8.270 nan 0.000 0.515 75 G N 1.541 110.303 108.800 -0.063 0.000 2.141 75 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 75 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 75 G C 0.080 174.938 174.900 -0.069 0.000 0.982 75 G CA -0.286 44.780 45.100 -0.056 0.000 0.662 75 G HN 0.262 nan 8.290 nan 0.000 0.527 76 I N 1.682 122.200 120.570 -0.087 0.000 2.337 76 I HA 0.341 4.511 4.170 -0.000 0.000 0.285 76 I C 0.038 176.164 176.117 0.014 0.000 1.041 76 I CA -0.445 60.807 61.300 -0.079 0.000 1.199 76 I CB 0.881 38.743 38.000 -0.230 0.000 1.370 76 I HN 0.117 nan 8.210 nan 0.000 0.470 77 E N 6.965 127.172 120.200 0.011 0.000 2.151 77 E HA 0.613 4.963 4.350 -0.000 0.000 0.275 77 E C -0.986 175.630 176.600 0.027 0.000 0.936 77 E CA -0.867 55.545 56.400 0.020 0.000 0.777 77 E CB 2.172 31.874 29.700 0.004 0.000 1.108 77 E HN 0.377 nan 8.360 nan 0.000 0.401 78 M N 1.347 120.964 119.600 0.029 0.000 2.528 78 M HA 0.144 4.624 4.480 -0.000 0.000 0.321 78 M C 1.033 177.337 176.300 0.006 0.000 1.153 78 M CA -0.320 54.994 55.300 0.023 0.000 0.951 78 M CB 2.016 34.634 32.600 0.030 0.000 1.705 78 M HN 0.586 nan 8.290 nan 0.000 0.451 79 S N 0.579 116.284 115.700 0.008 0.000 2.335 79 S HA 0.006 4.476 4.470 -0.000 0.000 0.216 79 S C 0.474 175.073 174.600 -0.001 0.000 1.032 79 S CA 0.789 58.991 58.200 0.003 0.000 1.000 79 S CB -0.117 63.087 63.200 0.008 0.000 0.928 79 S HN 0.769 nan 8.310 nan 0.000 0.434 80 E N -0.454 119.752 120.200 0.010 0.000 2.331 80 E HA 0.554 4.904 4.350 -0.000 0.000 0.275 80 E C -2.140 174.484 176.600 0.040 0.000 0.895 80 E CA -0.784 55.627 56.400 0.017 0.000 0.753 80 E CB 2.426 32.143 29.700 0.030 0.000 1.216 80 E HN 0.166 nan 8.360 nan 0.000 0.434 81 V N 4.159 124.110 119.914 0.062 0.000 2.409 81 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 81 V C -0.149 176.088 176.094 0.239 0.000 1.020 81 V CA -0.566 61.803 62.300 0.114 0.000 0.848 81 V CB 1.429 33.282 31.823 0.049 0.000 0.990 81 V HN 0.620 nan 8.190 nan 0.000 0.430 82 R N 2.864 123.493 120.500 0.214 0.000 2.803 82 R HA 0.656 4.996 4.340 -0.000 0.000 0.276 82 R C -1.285 175.133 176.300 0.196 0.000 0.978 82 R CA -1.014 55.214 56.100 0.214 0.000 0.939 82 R CB 2.280 32.647 30.300 0.113 0.000 1.179 82 R HN 0.556 nan 8.270 nan 0.000 0.472 83 L N 2.181 123.449 121.223 0.074 0.000 2.305 83 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 83 L C -0.580 176.235 176.870 -0.091 0.000 1.085 83 L CA 0.064 54.809 54.840 -0.160 0.000 0.813 83 L CB 0.931 42.712 42.059 -0.463 0.000 1.157 83 L HN 0.493 nan 8.230 nan 0.000 0.436 84 N N 4.488 123.137 118.700 -0.086 0.000 2.851 84 N HA 0.053 4.793 4.740 -0.000 0.000 0.248 84 N C 0.696 176.168 175.510 -0.064 0.000 1.221 84 N CA -0.386 52.635 53.050 -0.049 0.000 0.847 84 N CB 0.429 38.904 38.487 -0.021 0.000 1.150 84 N HN 0.721 nan 8.380 nan 0.000 0.507 85 L N 2.267 123.450 121.223 -0.067 0.000 2.021 85 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 85 L C 1.302 178.161 176.870 -0.018 0.000 1.074 85 L CA 2.015 56.828 54.840 -0.044 0.000 0.760 85 L CB -0.310 41.756 42.059 0.011 0.000 0.889 85 L HN 0.392 nan 8.230 nan 0.000 0.433 86 D N -0.507 119.887 120.400 -0.011 0.000 2.149 86 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 86 D C 2.137 178.431 176.300 -0.011 0.000 0.990 86 D CA 1.506 55.503 54.000 -0.005 0.000 0.839 86 D CB -0.081 40.716 40.800 -0.006 0.000 0.948 86 D HN 0.454 nan 8.370 nan 0.000 0.460 87 K N 0.016 120.406 120.400 -0.017 0.000 2.167 87 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 87 K C 2.096 178.683 176.600 -0.022 0.000 1.052 87 K CA 0.252 56.529 56.287 -0.016 0.000 0.956 87 K CB 0.015 32.507 32.500 -0.013 0.000 0.735 87 K HN 0.052 nan 8.250 nan 0.000 0.451 88 M N 0.127 119.705 119.600 -0.037 0.000 2.200 88 M HA -0.113 4.367 4.480 -0.000 0.000 0.265 88 M C 1.722 177.995 176.300 -0.045 0.000 1.066 88 M CA 1.153 56.423 55.300 -0.050 0.000 1.127 88 M CB 0.149 32.691 32.600 -0.097 0.000 1.379 88 M HN 0.130 nan 8.290 nan 0.000 0.420 89 M N -0.164 119.417 119.600 -0.032 0.000 2.229 89 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 89 M C 1.933 178.224 176.300 -0.014 0.000 1.063 89 M CA 1.492 56.782 55.300 -0.016 0.000 1.114 89 M CB -1.259 31.348 32.600 0.011 0.000 1.387 89 M HN 0.445 nan 8.290 nan 0.000 0.420 90 E N 0.000 120.192 120.200 -0.014 0.000 2.072 90 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 90 E C 2.067 178.658 176.600 -0.015 0.000 0.985 90 E CA 0.938 57.330 56.400 -0.013 0.000 0.801 90 E CB 0.030 29.723 29.700 -0.011 0.000 0.750 90 E HN 0.367 nan 8.360 nan 0.000 0.452 91 Q N 1.507 121.298 119.800 -0.015 0.000 2.061 91 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 91 Q C 2.106 178.095 176.000 -0.019 0.000 0.984 91 Q CA 1.776 57.571 55.803 -0.013 0.000 0.846 91 Q CB -0.233 28.502 28.738 -0.006 0.000 0.902 91 Q HN 0.216 nan 8.270 nan 0.000 0.421 92 K N -0.252 120.133 120.400 -0.025 0.000 2.001 92 K HA -0.139 4.181 4.320 -0.000 0.000 0.214 92 K C 2.168 178.751 176.600 -0.029 0.000 1.050 92 K CA 1.874 58.142 56.287 -0.031 0.000 0.934 92 K CB -0.098 32.381 32.500 -0.035 0.000 0.718 92 K HN 0.107 nan 8.250 nan 0.000 0.443 93 S N 0.255 115.941 115.700 -0.023 0.000 2.370 93 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 93 S C 1.923 176.507 174.600 -0.027 0.000 1.033 93 S CA 1.841 60.027 58.200 -0.023 0.000 1.011 93 S CB -0.477 62.713 63.200 -0.017 0.000 0.852 93 S HN 0.463 nan 8.310 nan 0.000 0.457 94 T N 2.266 116.805 114.554 -0.024 0.000 2.737 94 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 94 T C 2.064 176.746 174.700 -0.031 0.000 1.040 94 T CA 1.311 63.395 62.100 -0.026 0.000 1.142 94 T CB -0.449 68.406 68.868 -0.020 0.000 0.861 94 T HN 0.494 nan 8.240 nan 0.000 0.456 95 A N 0.581 123.382 122.820 -0.032 0.000 1.929 95 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 95 A C 2.558 180.112 177.584 -0.049 0.000 1.176 95 A CA 1.028 53.042 52.037 -0.038 0.000 0.628 95 A CB -0.748 18.229 19.000 -0.037 0.000 0.816 95 A HN 0.365 nan 8.150 nan 0.000 0.444 96 V N 0.183 120.067 119.914 -0.049 0.000 2.358 96 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 96 V C 2.543 178.599 176.094 -0.064 0.000 1.047 96 V CA 2.397 64.662 62.300 -0.058 0.000 1.035 96 V CB -0.590 31.203 31.823 -0.050 0.000 0.658 96 V HN 0.645 nan 8.190 nan 0.000 0.452 97 K N 1.153 121.522 120.400 -0.052 0.000 2.009 97 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 97 K C 2.105 178.669 176.600 -0.060 0.000 1.049 97 K CA 1.923 58.179 56.287 -0.051 0.000 0.929 97 K CB -0.769 31.708 32.500 -0.039 0.000 0.714 97 K HN 0.361 nan 8.250 nan 0.000 0.440 98 A N 0.513 123.300 122.820 -0.055 0.000 1.940 98 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 98 A C 2.196 179.736 177.584 -0.073 0.000 1.176 98 A CA 1.738 53.740 52.037 -0.058 0.000 0.631 98 A CB -0.677 18.294 19.000 -0.048 0.000 0.814 98 A HN 0.350 nan 8.150 nan 0.000 0.446 99 L N -0.296 120.877 121.223 -0.083 0.000 2.240 99 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 99 L C 2.842 179.616 176.870 -0.160 0.000 1.106 99 L CA 1.491 56.266 54.840 -0.108 0.000 0.793 99 L CB -0.668 41.330 42.059 -0.101 0.000 0.927 99 L HN 0.625 nan 8.230 nan 0.000 0.446 100 T N -3.404 111.060 114.554 -0.149 0.000 2.904 100 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 100 T C 1.963 176.554 174.700 -0.181 0.000 1.059 100 T CA 0.861 62.847 62.100 -0.190 0.000 1.137 100 T CB -0.673 68.107 68.868 -0.146 0.000 0.879 100 T HN 0.343 nan 8.240 nan 0.000 0.467 101 G N 1.284 110.013 108.800 -0.119 0.000 2.422 101 G HA2 0.101 4.061 3.960 -0.000 0.000 0.218 101 G HA3 0.101 4.061 3.960 -0.000 0.000 0.218 101 G C 1.673 176.526 174.900 -0.078 0.000 1.140 101 G CA 0.576 45.625 45.100 -0.085 0.000 0.775 101 G HN 0.630 nan 8.290 nan 0.000 0.545 102 G N 1.203 109.946 108.800 -0.095 0.000 2.440 102 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 102 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 102 G C 1.741 176.572 174.900 -0.116 0.000 1.154 102 G CA 0.829 45.895 45.100 -0.057 0.000 0.767 102 G HN 0.446 nan 8.290 nan 0.000 0.552 103 I N 1.302 121.689 120.570 -0.305 0.000 2.315 103 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 103 I C 3.305 179.110 176.117 -0.520 0.000 1.117 103 I CA 0.835 61.804 61.300 -0.552 0.000 1.404 103 I CB -0.310 37.161 38.000 -0.882 0.000 1.071 103 I HN 0.255 nan 8.210 nan 0.000 0.419 104 A N 0.629 123.256 122.820 -0.321 0.000 1.865 104 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 104 A C 2.229 179.813 177.584 0.000 0.000 1.191 104 A CA 2.383 54.330 52.037 -0.151 0.000 0.623 104 A CB -1.085 17.884 19.000 -0.052 0.000 0.826 104 A HN 0.552 nan 8.150 nan 0.000 0.444 105 H N -0.143 118.890 119.070 -0.061 0.000 2.353 105 H HA 0.002 4.558 4.556 -0.000 0.000 0.300 105 H C 1.692 177.042 175.328 0.038 0.000 1.090 105 H CA 1.908 57.954 56.048 -0.003 0.000 1.327 105 H CB -0.312 29.439 29.762 -0.018 0.000 1.383 105 H HN 0.362 nan 8.280 nan 0.000 0.508 106 L N -0.923 120.228 121.223 -0.120 0.000 2.093 106 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 106 L C 2.043 178.984 176.870 0.118 0.000 1.085 106 L CA 0.603 55.397 54.840 -0.076 0.000 0.755 106 L CB -0.433 41.653 42.059 0.045 0.000 0.904 106 L HN 0.264 nan 8.230 nan 0.000 0.435 107 F N 0.720 120.634 119.950 -0.060 0.000 2.134 107 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 107 F C 2.603 178.377 175.800 -0.042 0.000 1.097 107 F CA 1.204 59.187 58.000 -0.029 0.000 1.264 107 F CB -0.765 38.225 39.000 -0.018 0.000 1.001 107 F HN 0.043 nan 8.300 nan 0.000 0.479 108 K N 0.376 120.858 120.400 0.137 0.000 2.009 108 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 108 K C 2.198 178.788 176.600 -0.017 0.000 1.049 108 K CA 1.775 58.093 56.287 0.051 0.000 0.929 108 K CB -0.379 32.148 32.500 0.043 0.000 0.714 108 K HN 0.263 nan 8.250 nan 0.000 0.440 109 Q N 0.282 120.008 119.800 -0.124 0.000 2.112 109 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 109 Q C 1.012 176.987 176.000 -0.041 0.000 0.987 109 Q CA 1.732 57.460 55.803 -0.124 0.000 0.858 109 Q CB -0.001 28.591 28.738 -0.243 0.000 0.905 109 Q HN 0.390 nan 8.270 nan 0.000 0.420 110 N N 0.286 118.980 118.700 -0.010 0.000 2.322 110 N HA 0.022 4.762 4.740 -0.000 0.000 0.194 110 N C -0.615 174.888 175.510 -0.011 0.000 1.126 110 N CA 0.249 53.300 53.050 0.001 0.000 0.845 110 N CB 0.456 38.958 38.487 0.025 0.000 0.976 110 N HN 0.211 nan 8.380 nan 0.000 0.475 111 K N 0.197 120.593 120.400 -0.006 0.000 3.096 111 K HA -0.128 4.192 4.320 -0.000 0.000 0.266 111 K C -0.691 175.882 176.600 -0.045 0.000 1.043 111 K CA 0.166 56.446 56.287 -0.011 0.000 0.758 111 K CB -1.715 30.779 32.500 -0.009 0.000 1.260 111 K HN -0.024 nan 8.250 nan 0.000 0.481 112 V N 1.221 121.079 119.914 -0.092 0.000 2.607 112 V HA 0.169 4.289 4.120 -0.000 0.000 0.289 112 V C 0.757 176.758 176.094 -0.155 0.000 1.053 112 V CA -0.688 61.469 62.300 -0.238 0.000 0.996 112 V CB 1.822 33.249 31.823 -0.659 0.000 0.995 112 V HN 0.079 nan 8.190 nan 0.000 0.476 113 V N 4.481 124.321 119.914 -0.124 0.000 2.385 113 V HA 0.200 4.320 4.120 -0.000 0.000 0.269 113 V C -0.058 176.056 176.094 0.033 0.000 1.043 113 V CA -0.531 61.756 62.300 -0.022 0.000 0.906 113 V CB 0.765 32.579 31.823 -0.016 0.000 0.995 113 V HN 0.883 nan 8.190 nan 0.000 0.467 114 H N 5.190 124.267 119.070 0.012 0.000 2.705 114 H HA 0.472 5.028 4.556 -0.000 0.000 0.291 114 H C -0.782 174.581 175.328 0.059 0.000 1.085 114 H CA -0.651 55.448 56.048 0.085 0.000 1.357 114 H CB 1.133 31.021 29.762 0.210 0.000 1.419 114 H HN 0.358 nan 8.280 nan 0.000 0.462 115 V N 6.218 126.212 119.914 0.132 0.000 2.333 115 V HA 0.085 4.205 4.120 -0.000 0.000 0.274 115 V C 0.411 176.476 176.094 -0.048 0.000 1.028 115 V CA -0.925 61.357 62.300 -0.029 0.000 0.851 115 V CB 0.568 32.410 31.823 0.031 0.000 1.000 115 V HN 0.819 nan 8.190 nan 0.000 0.456 116 N N 4.263 122.841 118.700 -0.203 0.000 2.555 116 N HA 0.570 5.310 4.740 -0.000 0.000 0.244 116 N C -0.025 175.492 175.510 0.011 0.000 1.114 116 N CA 0.498 53.498 53.050 -0.083 0.000 0.963 116 N CB 0.466 38.863 38.487 -0.151 0.000 1.276 116 N HN 0.947 nan 8.380 nan 0.000 0.510 117 G N 1.470 110.308 108.800 0.062 0.000 2.356 117 G HA2 0.120 4.080 3.960 -0.000 0.000 0.294 117 G HA3 0.120 4.080 3.960 -0.000 0.000 0.294 117 G C -2.153 172.820 174.900 0.122 0.000 1.423 117 G CA -0.863 44.292 45.100 0.092 0.000 0.806 117 G HN 0.291 nan 8.290 nan 0.000 0.527 118 Y N 1.727 122.059 120.300 0.053 0.000 2.539 118 Y HA 0.491 5.041 4.550 -0.000 0.000 0.352 118 Y C 1.038 176.974 175.900 0.059 0.000 1.004 118 Y CA 0.439 58.579 58.100 0.067 0.000 1.278 118 Y CB 0.503 39.003 38.460 0.067 0.000 1.136 118 Y HN 0.678 nan 8.280 nan 0.000 0.528 119 G N 5.130 113.958 108.800 0.046 0.000 2.503 119 G HA2 0.353 4.313 3.960 -0.000 0.000 0.257 119 G HA3 0.353 4.313 3.960 -0.000 0.000 0.257 119 G C -1.254 173.727 174.900 0.135 0.000 1.214 119 G CA -0.651 44.497 45.100 0.079 0.000 0.839 119 G HN 0.618 nan 8.290 nan 0.000 0.559 120 K N 1.632 122.102 120.400 0.118 0.000 2.553 120 K HA 0.310 4.630 4.320 -0.000 0.000 0.250 120 K C -0.539 176.099 176.600 0.064 0.000 0.953 120 K CA -0.840 55.513 56.287 0.110 0.000 0.800 120 K CB 1.586 34.161 32.500 0.126 0.000 1.243 120 K HN 0.392 nan 8.250 nan 0.000 0.435 121 I N 4.578 125.177 120.570 0.047 0.000 2.578 121 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 121 I C 0.956 177.091 176.117 0.029 0.000 1.126 121 I CA 0.383 61.703 61.300 0.033 0.000 1.380 121 I CB 0.700 38.714 38.000 0.025 0.000 1.408 121 I HN 0.726 nan 8.210 nan 0.000 0.532 122 T N 1.501 116.071 114.554 0.027 0.000 3.214 122 T HA 0.507 4.857 4.350 -0.000 0.000 0.264 122 T C 0.359 175.068 174.700 0.016 0.000 1.012 122 T CA -0.383 61.730 62.100 0.022 0.000 0.901 122 T CB 0.226 69.109 68.868 0.024 0.000 1.070 122 T HN 0.839 nan 8.240 nan 0.000 0.561 123 G N 0.584 109.393 108.800 0.015 0.000 2.386 123 G HA2 0.227 4.187 3.960 -0.000 0.000 0.302 123 G HA3 0.227 4.187 3.960 -0.000 0.000 0.302 123 G C -0.041 174.866 174.900 0.011 0.000 1.629 123 G CA -0.977 44.129 45.100 0.011 0.000 0.917 123 G HN 0.003 nan 8.290 nan 0.000 0.676 124 K N -0.070 120.334 120.400 0.007 0.000 2.366 124 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 124 K C 0.964 177.571 176.600 0.011 0.000 1.045 124 K CA 1.367 57.658 56.287 0.006 0.000 0.934 124 K CB 0.065 32.566 32.500 0.002 0.000 0.746 124 K HN 0.397 nan 8.250 nan 0.000 0.470 125 N N 0.017 118.725 118.700 0.013 0.000 2.305 125 N HA 0.024 4.764 4.740 -0.000 0.000 0.248 125 N C -0.972 174.547 175.510 0.015 0.000 1.290 125 N CA 0.044 53.103 53.050 0.015 0.000 0.873 125 N CB 1.218 39.714 38.487 0.016 0.000 1.261 125 N HN 0.180 nan 8.380 nan 0.000 0.504 126 Q N 0.753 120.562 119.800 0.015 0.000 2.416 126 Q HA 0.530 4.870 4.340 -0.000 0.000 0.281 126 Q C -1.891 174.121 176.000 0.020 0.000 1.067 126 Q CA -0.558 55.255 55.803 0.016 0.000 0.809 126 Q CB 2.706 31.453 28.738 0.015 0.000 1.418 126 Q HN -0.135 nan 8.270 nan 0.000 0.411 127 V N 1.401 121.328 119.914 0.021 0.000 2.841 127 V HA 0.565 4.685 4.120 -0.000 0.000 0.310 127 V C -0.982 175.131 176.094 0.032 0.000 1.090 127 V CA -0.624 61.693 62.300 0.028 0.000 0.930 127 V CB 2.398 34.236 31.823 0.025 0.000 1.014 127 V HN 0.868 nan 8.190 nan 0.000 0.425 128 T N 3.273 117.853 114.554 0.043 0.000 2.815 128 T HA 0.660 5.010 4.350 -0.000 0.000 0.289 128 T C -0.133 174.606 174.700 0.066 0.000 1.000 128 T CA -0.267 61.861 62.100 0.046 0.000 0.958 128 T CB 1.516 70.409 68.868 0.042 0.000 0.944 128 T HN 0.958 nan 8.240 nan 0.000 0.442 129 A N 3.232 126.087 122.820 0.059 0.000 2.260 129 A HA 0.598 4.918 4.320 -0.000 0.000 0.312 129 A C 0.466 178.095 177.584 0.075 0.000 1.321 129 A CA -0.556 51.527 52.037 0.076 0.000 0.928 129 A CB 0.027 19.061 19.000 0.056 0.000 1.158 129 A HN 0.684 nan 8.150 nan 0.000 0.542 130 T N 4.107 118.724 114.554 0.105 0.000 2.728 130 T HA 0.257 4.607 4.350 -0.000 0.000 0.296 130 T C 0.469 175.223 174.700 0.090 0.000 0.940 130 T CA -0.201 61.948 62.100 0.081 0.000 1.013 130 T CB 0.492 69.403 68.868 0.070 0.000 0.912 130 T HN 0.680 nan 8.240 nan 0.000 0.484 131 K N 1.410 121.844 120.400 0.057 0.000 2.136 131 K HA 0.436 4.756 4.320 -0.000 0.000 0.237 131 K C 1.603 178.232 176.600 0.048 0.000 1.048 131 K CA -0.478 55.840 56.287 0.051 0.000 0.880 131 K CB 0.260 32.777 32.500 0.027 0.000 1.105 131 K HN 0.553 nan 8.250 nan 0.000 0.507 132 A N 1.178 124.024 122.820 0.043 0.000 2.067 132 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 132 A C 0.959 178.555 177.584 0.020 0.000 1.158 132 A CA 1.881 53.939 52.037 0.034 0.000 0.661 132 A CB -0.602 18.418 19.000 0.033 0.000 0.801 132 A HN 0.822 nan 8.150 nan 0.000 0.452 133 D N -3.098 117.312 120.400 0.017 0.000 2.395 133 D HA 0.375 5.015 4.640 -0.000 0.000 0.226 133 D C 1.052 177.358 176.300 0.009 0.000 1.146 133 D CA 0.648 54.654 54.000 0.010 0.000 0.830 133 D CB -0.180 40.625 40.800 0.008 0.000 0.958 133 D HN 0.485 nan 8.370 nan 0.000 0.501 134 G N -0.366 108.441 108.800 0.011 0.000 2.267 134 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.257 134 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.257 134 G C 0.818 175.726 174.900 0.013 0.000 0.998 134 G CA -0.164 44.942 45.100 0.009 0.000 0.620 134 G HN 0.843 nan 8.290 nan 0.000 0.529 135 G N 0.824 109.632 108.800 0.013 0.000 2.255 135 G HA2 0.464 4.424 3.960 -0.000 0.000 0.267 135 G HA3 0.464 4.424 3.960 -0.000 0.000 0.267 135 G C 0.326 175.237 174.900 0.018 0.000 1.177 135 G CA 1.391 46.498 45.100 0.012 0.000 1.027 135 G HN 0.836 nan 8.290 nan 0.000 0.437 136 T N 0.742 115.306 114.554 0.017 0.000 2.902 136 T HA 0.555 4.905 4.350 -0.000 0.000 0.280 136 T C -0.276 174.435 174.700 0.018 0.000 0.992 136 T CA -0.364 61.749 62.100 0.022 0.000 1.015 136 T CB 1.413 70.293 68.868 0.020 0.000 1.044 136 T HN 0.649 nan 8.240 nan 0.000 0.520 137 Q N 2.108 121.922 119.800 0.022 0.000 2.263 137 Q HA 0.533 4.873 4.340 -0.000 0.000 0.262 137 Q C -2.011 174.001 176.000 0.020 0.000 0.984 137 Q CA -0.598 55.215 55.803 0.017 0.000 0.813 137 Q CB 1.630 30.376 28.738 0.013 0.000 1.299 137 Q HN 0.508 nan 8.270 nan 0.000 0.428 138 V N 5.023 124.947 119.914 0.016 0.000 2.472 138 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 138 V C -0.386 175.717 176.094 0.014 0.000 1.037 138 V CA -0.668 61.642 62.300 0.016 0.000 0.908 138 V CB 1.634 33.466 31.823 0.014 0.000 0.985 138 V HN 0.715 nan 8.190 nan 0.000 0.454 139 I N 3.206 123.784 120.570 0.014 0.000 2.439 139 I HA 0.429 4.599 4.170 -0.000 0.000 0.285 139 I C -0.632 175.492 176.117 0.011 0.000 1.021 139 I CA -0.486 60.820 61.300 0.011 0.000 1.091 139 I CB 1.746 39.751 38.000 0.009 0.000 1.242 139 I HN 0.544 nan 8.210 nan 0.000 0.439 140 D N 4.202 124.608 120.400 0.010 0.000 2.232 140 D HA 0.426 5.066 4.640 -0.000 0.000 0.242 140 D C -0.071 176.236 176.300 0.011 0.000 1.093 140 D CA 0.237 54.244 54.000 0.012 0.000 0.845 140 D CB 2.714 43.522 40.800 0.012 0.000 1.124 140 D HN 0.444 nan 8.370 nan 0.000 0.467 141 T N 0.876 115.437 114.554 0.011 0.000 2.900 141 T HA 0.196 4.546 4.350 -0.000 0.000 0.303 141 T C 0.844 175.553 174.700 0.015 0.000 1.142 141 T CA -0.621 61.484 62.100 0.008 0.000 1.007 141 T CB 1.589 70.455 68.868 -0.003 0.000 1.156 141 T HN 0.156 nan 8.240 nan 0.000 0.490 142 K N 1.689 122.099 120.400 0.018 0.000 2.031 142 K HA 0.112 4.432 4.320 -0.000 0.000 0.205 142 K C 0.488 177.108 176.600 0.033 0.000 1.049 142 K CA 0.803 57.108 56.287 0.030 0.000 0.939 142 K CB 0.048 32.575 32.500 0.046 0.000 0.717 142 K HN 0.466 nan 8.250 nan 0.000 0.438 143 N N 0.650 119.356 118.700 0.010 0.000 2.269 143 N HA 0.346 5.086 4.740 -0.000 0.000 0.304 143 N C -0.853 174.671 175.510 0.023 0.000 1.072 143 N CA -0.411 52.665 53.050 0.044 0.000 0.802 143 N CB 2.234 40.716 38.487 -0.008 0.000 1.348 143 N HN -0.046 nan 8.380 nan 0.000 0.484 144 I N 1.646 122.269 120.570 0.088 0.000 2.433 144 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 144 I C -0.739 175.445 176.117 0.112 0.000 1.001 144 I CA -0.921 60.416 61.300 0.062 0.000 1.119 144 I CB 1.852 39.883 38.000 0.053 0.000 1.289 144 I HN 0.174 nan 8.210 nan 0.000 0.438 145 L N 8.267 129.513 121.223 0.039 0.000 2.342 145 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 145 L C -0.723 176.165 176.870 0.030 0.000 0.997 145 L CA -0.178 54.685 54.840 0.038 0.000 0.838 145 L CB 1.067 43.081 42.059 -0.075 0.000 1.224 145 L HN 0.405 nan 8.230 nan 0.000 0.416 146 I N 5.546 126.151 120.570 0.059 0.000 2.337 146 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 146 I C 0.548 176.686 176.117 0.035 0.000 1.046 146 I CA 0.002 61.328 61.300 0.044 0.000 1.324 146 I CB 1.328 39.358 38.000 0.051 0.000 1.409 146 I HN 0.832 nan 8.210 nan 0.000 0.494 147 A N 3.721 126.556 122.820 0.025 0.000 3.176 147 A HA 0.243 4.563 4.320 -0.000 0.000 0.265 147 A C 0.964 178.570 177.584 0.036 0.000 0.936 147 A CA -0.353 51.695 52.037 0.019 0.000 1.033 147 A CB -0.362 18.640 19.000 0.002 0.000 1.158 147 A HN 0.745 nan 8.150 nan 0.000 0.485 148 T N -3.132 111.457 114.554 0.058 0.000 3.118 148 T HA 0.405 4.755 4.350 -0.000 0.000 0.260 148 T C 1.454 176.232 174.700 0.131 0.000 1.139 148 T CA 1.118 63.278 62.100 0.100 0.000 1.085 148 T CB -0.265 68.690 68.868 0.145 0.000 0.934 148 T HN 1.987 nan 8.240 nan 0.000 0.518 149 G N 1.745 110.600 108.800 0.092 0.000 2.547 149 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.271 149 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.271 149 G C 0.039 175.014 174.900 0.125 0.000 1.209 149 G CA 0.377 45.525 45.100 0.079 0.000 0.959 149 G HN 1.574 nan 8.290 nan 0.000 0.563 150 S N -0.544 115.207 115.700 0.085 0.000 2.732 150 S HA 0.832 5.302 4.470 -0.000 0.000 0.293 150 S C -0.638 173.992 174.600 0.051 0.000 1.159 150 S CA 0.378 58.642 58.200 0.106 0.000 0.847 150 S CB 2.462 65.700 63.200 0.063 0.000 1.169 150 S HN 1.734 nan 8.310 nan 0.000 0.501 151 E N -0.447 119.803 120.200 0.083 0.000 2.429 151 E HA 0.642 4.992 4.350 -0.000 0.000 0.276 151 E C -1.311 175.324 176.600 0.058 0.000 0.953 151 E CA -1.289 55.133 56.400 0.038 0.000 0.787 151 E CB 1.426 31.186 29.700 0.101 0.000 1.307 151 E HN 0.408 nan 8.360 nan 0.000 0.458 152 V N 1.355 121.295 119.914 0.043 0.000 2.872 152 V HA 0.061 4.181 4.120 -0.000 0.000 0.307 152 V C 0.170 176.304 176.094 0.067 0.000 1.072 152 V CA 0.301 62.633 62.300 0.054 0.000 1.148 152 V CB 1.013 32.865 31.823 0.050 0.000 0.954 152 V HN 0.724 nan 8.190 nan 0.000 0.490 153 T N 7.122 121.716 114.554 0.067 0.000 2.728 153 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 153 T C -2.097 172.647 174.700 0.074 0.000 0.940 153 T CA -0.679 61.457 62.100 0.060 0.000 1.013 153 T CB 1.080 69.974 68.868 0.044 0.000 0.912 153 T HN 0.617 nan 8.240 nan 0.000 0.484 154 P HA 0.277 nan 4.420 nan 0.000 0.274 154 P C -0.856 176.514 177.300 0.117 0.000 1.237 154 P CA -0.651 62.508 63.100 0.099 0.000 0.793 154 P CB 0.684 32.433 31.700 0.080 0.000 0.977 155 F N 3.949 123.909 119.950 0.017 0.000 2.391 155 F HA 0.336 4.863 4.527 -0.000 0.000 0.359 155 F C -1.891 173.916 175.800 0.012 0.000 1.122 155 F CA -2.885 55.124 58.000 0.014 0.000 1.120 155 F CB 0.688 39.700 39.000 0.019 0.000 1.142 155 F HN 0.147 nan 8.300 nan 0.000 0.483 156 P HA 0.165 nan 4.420 nan 0.000 0.263 156 P C 0.525 177.937 177.300 0.187 0.000 1.195 156 P CA 1.063 64.181 63.100 0.031 0.000 0.762 156 P CB 0.879 32.522 31.700 -0.096 0.000 0.799 157 G N 3.038 111.932 108.800 0.157 0.000 2.213 157 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 157 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 157 G C -0.004 174.983 174.900 0.145 0.000 0.991 157 G CA -0.235 44.956 45.100 0.151 0.000 0.629 157 G HN 0.533 nan 8.290 nan 0.000 0.517 158 I N 2.001 122.684 120.570 0.188 0.000 2.389 158 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 158 I C -0.254 175.910 176.117 0.078 0.000 0.999 158 I CA -0.632 60.720 61.300 0.086 0.000 1.129 158 I CB 2.137 40.133 38.000 -0.006 0.000 1.288 158 I HN -0.020 nan 8.210 nan 0.000 0.444 159 T N 7.012 121.590 114.554 0.039 0.000 2.744 159 T HA 0.514 4.864 4.350 -0.000 0.000 0.291 159 T C 0.115 174.825 174.700 0.017 0.000 0.957 159 T CA -0.304 61.816 62.100 0.034 0.000 1.002 159 T CB 0.706 69.589 68.868 0.025 0.000 0.919 159 T HN 0.259 nan 8.240 nan 0.000 0.468 160 I N 3.672 124.256 120.570 0.024 0.000 2.441 160 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 160 I C 0.571 176.691 176.117 0.005 0.000 1.049 160 I CA -0.205 61.101 61.300 0.011 0.000 1.381 160 I CB 0.868 38.882 38.000 0.023 0.000 1.409 160 I HN 0.731 nan 8.210 nan 0.000 0.523 161 D N 3.606 124.001 120.400 -0.008 0.000 2.540 161 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 161 D C 0.307 176.597 176.300 -0.016 0.000 1.250 161 D CA -0.253 53.741 54.000 -0.010 0.000 0.817 161 D CB 0.223 41.014 40.800 -0.015 0.000 1.060 161 D HN 0.367 nan 8.370 nan 0.000 0.508 162 E N -0.163 120.026 120.200 -0.018 0.000 2.735 162 E HA -0.277 4.073 4.350 -0.000 0.000 0.261 162 E C 0.219 176.797 176.600 -0.037 0.000 1.137 162 E CA 1.408 57.794 56.400 -0.023 0.000 0.754 162 E CB -1.196 28.497 29.700 -0.013 0.000 1.352 162 E HN 0.610 nan 8.360 nan 0.000 0.430 163 D N -0.651 119.722 120.400 -0.045 0.000 2.999 163 D HA 0.076 4.716 4.640 -0.000 0.000 0.273 163 D C 1.753 178.006 176.300 -0.079 0.000 1.485 163 D CA 2.196 56.163 54.000 -0.056 0.000 1.101 163 D CB -0.149 40.624 40.800 -0.045 0.000 1.109 163 D HN 0.156 nan 8.370 nan 0.000 0.368 164 T N -1.620 112.889 114.554 -0.074 0.000 3.000 164 T HA 0.334 4.684 4.350 -0.000 0.000 0.248 164 T C 1.105 175.752 174.700 -0.089 0.000 1.034 164 T CA -0.109 61.936 62.100 -0.092 0.000 1.060 164 T CB 0.374 69.193 68.868 -0.082 0.000 0.983 164 T HN 0.097 nan 8.240 nan 0.000 0.482 165 I N 3.866 124.396 120.570 -0.067 0.000 2.337 165 I HA 0.476 4.646 4.170 -0.000 0.000 0.285 165 I C -0.339 175.751 176.117 -0.045 0.000 1.041 165 I CA -1.132 60.132 61.300 -0.060 0.000 1.199 165 I CB 1.398 39.369 38.000 -0.048 0.000 1.370 165 I HN 0.141 nan 8.210 nan 0.000 0.470 166 V N 2.634 122.518 119.914 -0.049 0.000 3.019 166 V HA 0.779 4.899 4.120 -0.000 0.000 0.317 166 V C 0.192 176.284 176.094 -0.004 0.000 1.094 166 V CA -0.461 61.822 62.300 -0.030 0.000 1.000 166 V CB 1.742 33.538 31.823 -0.045 0.000 1.060 166 V HN 0.665 nan 8.190 nan 0.000 0.443 167 S N 1.059 116.766 115.700 0.013 0.000 2.718 167 S HA 0.386 4.856 4.470 -0.000 0.000 0.292 167 S C 1.393 176.019 174.600 0.042 0.000 1.125 167 S CA 0.119 58.339 58.200 0.033 0.000 1.013 167 S CB 0.950 64.170 63.200 0.035 0.000 1.192 167 S HN 1.765 nan 8.310 nan 0.000 0.535 168 S N 0.132 115.866 115.700 0.056 0.000 2.400 168 S HA -0.130 4.340 4.470 -0.000 0.000 0.232 168 S C 1.700 176.337 174.600 0.063 0.000 1.025 168 S CA 1.695 59.938 58.200 0.071 0.000 0.993 168 S CB -1.607 61.635 63.200 0.071 0.000 0.808 168 S HN 0.767 nan 8.310 nan 0.000 0.478 169 T N 2.066 116.644 114.554 0.040 0.000 2.708 169 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 169 T C 2.084 176.804 174.700 0.034 0.000 1.037 169 T CA 1.468 63.585 62.100 0.030 0.000 1.146 169 T CB -1.088 67.787 68.868 0.012 0.000 0.865 169 T HN 0.635 nan 8.240 nan 0.000 0.435 170 G N 0.944 109.758 108.800 0.022 0.000 2.408 170 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 170 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 170 G C 1.803 176.716 174.900 0.022 0.000 1.150 170 G CA 0.816 45.920 45.100 0.007 0.000 0.776 170 G HN 0.572 nan 8.290 nan 0.000 0.542 171 A N 0.408 123.259 122.820 0.052 0.000 2.019 171 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 171 A C 2.281 180.057 177.584 0.320 0.000 1.164 171 A CA 0.891 53.004 52.037 0.126 0.000 0.644 171 A CB -0.276 18.817 19.000 0.156 0.000 0.805 171 A HN 0.365 nan 8.150 nan 0.000 0.449 172 L N -0.710 120.635 121.223 0.202 0.000 2.478 172 L HA 0.025 4.365 4.340 -0.000 0.000 0.223 172 L C 0.968 177.947 176.870 0.181 0.000 1.140 172 L CA 0.689 55.639 54.840 0.182 0.000 0.842 172 L CB 0.168 42.278 42.059 0.086 0.000 0.953 172 L HN 0.235 nan 8.230 nan 0.000 0.452 173 S N -0.319 115.477 115.700 0.160 0.000 2.843 173 S HA 0.317 4.787 4.470 -0.000 0.000 0.249 173 S C 0.315 174.971 174.600 0.094 0.000 1.047 173 S CA -0.488 57.783 58.200 0.118 0.000 1.042 173 S CB 0.285 63.517 63.200 0.053 0.000 0.936 173 S HN 0.090 nan 8.310 nan 0.000 0.531 174 L N 2.096 123.384 121.223 0.108 0.000 2.525 174 L HA 0.107 4.447 4.340 -0.000 0.000 0.278 174 L C 1.563 178.414 176.870 -0.031 0.000 1.218 174 L CA -0.077 54.692 54.840 -0.119 0.000 0.878 174 L CB 0.448 42.128 42.059 -0.631 0.000 1.127 174 L HN 0.092 nan 8.230 nan 0.000 0.492 175 K N 2.061 122.415 120.400 -0.076 0.000 2.228 175 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 175 K C 0.243 176.820 176.600 -0.038 0.000 1.051 175 K CA 1.063 57.329 56.287 -0.035 0.000 0.960 175 K CB 0.155 32.627 32.500 -0.046 0.000 0.743 175 K HN 0.436 nan 8.250 nan 0.000 0.458 176 K N 0.333 120.670 120.400 -0.105 0.000 2.482 176 K HA 0.280 4.600 4.320 -0.000 0.000 0.257 176 K C -0.859 175.634 176.600 -0.178 0.000 0.969 176 K CA -0.822 55.412 56.287 -0.088 0.000 0.842 176 K CB 2.691 35.137 32.500 -0.089 0.000 1.359 176 K HN -0.331 nan 8.250 nan 0.000 0.441 177 V N 4.643 124.521 119.914 -0.059 0.000 2.485 177 V HA 0.070 4.190 4.120 -0.000 0.000 0.287 177 V C -1.700 174.295 176.094 -0.165 0.000 1.022 177 V CA -0.896 61.378 62.300 -0.043 0.000 1.067 177 V CB 0.188 32.060 31.823 0.082 0.000 0.967 177 V HN 0.584 nan 8.190 nan 0.000 0.479 178 P HA 0.142 nan 4.420 nan 0.000 0.275 178 P C 0.574 177.791 177.300 -0.139 0.000 1.227 178 P CA -0.242 62.719 63.100 -0.231 0.000 0.781 178 P CB 1.380 32.891 31.700 -0.314 0.000 0.906 179 E N 2.262 122.396 120.200 -0.109 0.000 2.047 179 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 179 E C 0.095 176.645 176.600 -0.084 0.000 0.987 179 E CA 1.087 57.441 56.400 -0.078 0.000 0.799 179 E CB 0.214 29.876 29.700 -0.064 0.000 0.752 179 E HN 0.387 nan 8.360 nan 0.000 0.449 180 K N 0.415 120.755 120.400 -0.100 0.000 2.443 180 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 180 K C -1.118 175.406 176.600 -0.127 0.000 0.933 180 K CA -0.524 55.701 56.287 -0.103 0.000 0.792 180 K CB 2.156 34.606 32.500 -0.084 0.000 1.185 180 K HN 0.037 nan 8.250 nan 0.000 0.425 181 M N 3.033 122.550 119.600 -0.138 0.000 2.327 181 M HA 0.364 4.844 4.480 -0.000 0.000 0.298 181 M C -1.754 174.468 176.300 -0.131 0.000 1.065 181 M CA -0.844 54.365 55.300 -0.151 0.000 0.916 181 M CB 1.879 34.371 32.600 -0.181 0.000 1.630 181 M HN 0.297 nan 8.290 nan 0.000 0.442 182 V N 4.935 124.785 119.914 -0.107 0.000 2.513 182 V HA 0.615 4.735 4.120 -0.000 0.000 0.299 182 V C -0.798 175.261 176.094 -0.059 0.000 1.035 182 V CA -0.652 61.600 62.300 -0.080 0.000 0.889 182 V CB 2.004 33.783 31.823 -0.073 0.000 0.988 182 V HN 0.698 nan 8.190 nan 0.000 0.440 183 V N 6.129 126.033 119.914 -0.017 0.000 2.448 183 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 183 V C -0.207 175.922 176.094 0.058 0.000 1.025 183 V CA -0.469 61.851 62.300 0.034 0.000 0.859 183 V CB 1.838 33.721 31.823 0.101 0.000 0.988 183 V HN 0.659 nan 8.190 nan 0.000 0.431 184 I N 4.400 124.997 120.570 0.044 0.000 2.304 184 I HA 0.675 4.845 4.170 -0.000 0.000 0.291 184 I C 0.739 176.935 176.117 0.132 0.000 1.018 184 I CA 0.005 61.344 61.300 0.066 0.000 1.260 184 I CB 1.229 39.220 38.000 -0.015 0.000 1.390 184 I HN 0.884 nan 8.210 nan 0.000 0.475 185 G N 4.621 113.517 108.800 0.160 0.000 3.380 185 G HA2 0.069 4.029 3.960 -0.000 0.000 0.685 185 G HA3 0.069 4.029 3.960 -0.000 0.000 0.685 185 G C -0.220 174.786 174.900 0.177 0.000 1.136 185 G CA -0.367 44.830 45.100 0.162 0.000 1.011 185 G HN 0.944 nan 8.290 nan 0.000 0.471 186 A N 1.925 124.845 122.820 0.167 0.000 3.163 186 A HA 0.750 5.070 4.320 -0.000 0.000 0.283 186 A C 1.463 179.125 177.584 0.130 0.000 1.412 186 A CA 1.136 53.290 52.037 0.195 0.000 1.053 186 A CB -0.287 18.833 19.000 0.200 0.000 1.082 186 A HN 1.992 nan 8.150 nan 0.000 0.639 187 G N -0.941 107.949 108.800 0.150 0.000 2.531 187 G HA2 0.345 4.305 3.960 -0.000 0.000 0.253 187 G HA3 0.345 4.305 3.960 -0.000 0.000 0.253 187 G C 1.054 176.076 174.900 0.203 0.000 1.439 187 G CA 0.323 45.515 45.100 0.153 0.000 1.056 187 G HN 0.162 nan 8.290 nan 0.000 0.555 188 V N 0.058 120.095 119.914 0.206 0.000 2.358 188 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 188 V C 2.812 179.037 176.094 0.218 0.000 1.047 188 V CA 1.324 63.760 62.300 0.227 0.000 1.035 188 V CB -0.665 31.277 31.823 0.198 0.000 0.658 188 V HN 0.525 nan 8.190 nan 0.000 0.452 189 I N 0.764 121.444 120.570 0.183 0.000 2.179 189 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 189 I C 2.611 178.851 176.117 0.206 0.000 1.088 189 I CA 1.723 63.127 61.300 0.173 0.000 1.357 189 I CB -0.902 37.181 38.000 0.139 0.000 1.051 189 I HN 0.417 nan 8.210 nan 0.000 0.409 190 G N 0.445 109.376 108.800 0.218 0.000 2.459 190 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 190 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 190 G C 1.681 176.805 174.900 0.373 0.000 1.183 190 G CA 1.075 46.334 45.100 0.266 0.000 0.776 190 G HN 0.256 nan 8.290 nan 0.000 0.552 191 V N 0.625 120.747 119.914 0.347 0.000 2.427 191 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 191 V C 2.676 179.019 176.094 0.415 0.000 1.051 191 V CA 2.163 64.692 62.300 0.382 0.000 1.048 191 V CB -0.413 31.568 31.823 0.263 0.000 0.666 191 V HN 0.475 nan 8.190 nan 0.000 0.456 192 E N 0.095 120.487 120.200 0.319 0.000 2.028 192 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 192 E C 2.249 178.968 176.600 0.198 0.000 0.988 192 E CA 1.179 57.733 56.400 0.257 0.000 0.799 192 E CB -0.167 29.663 29.700 0.216 0.000 0.755 192 E HN 0.471 nan 8.360 nan 0.000 0.447 193 L N 0.388 121.727 121.223 0.192 0.000 2.141 193 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 193 L C 2.560 179.540 176.870 0.184 0.000 1.094 193 L CA 0.990 55.929 54.840 0.165 0.000 0.763 193 L CB -0.715 41.471 42.059 0.213 0.000 0.908 193 L HN 0.247 nan 8.230 nan 0.000 0.437 194 G N -0.563 108.359 108.800 0.202 0.000 2.418 194 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 194 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 194 G C 1.760 176.590 174.900 -0.117 0.000 1.158 194 G CA 0.926 46.008 45.100 -0.030 0.000 0.771 194 G HN 0.310 nan 8.290 nan 0.000 0.545 195 S N -0.170 115.635 115.700 0.176 0.000 2.368 195 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 195 S C 2.537 177.136 174.600 -0.003 0.000 1.030 195 S CA 1.099 59.386 58.200 0.145 0.000 0.999 195 S CB -0.278 63.070 63.200 0.247 0.000 0.844 195 S HN 0.186 nan 8.310 nan 0.000 0.459 196 V N 0.226 120.100 119.914 -0.067 0.000 2.231 196 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 196 V C 1.891 177.758 176.094 -0.379 0.000 1.054 196 V CA 1.863 63.995 62.300 -0.280 0.000 1.015 196 V CB -0.757 30.787 31.823 -0.466 0.000 0.638 196 V HN 0.636 nan 8.190 nan 0.000 0.444 197 W N -0.737 120.508 121.300 -0.092 0.000 2.467 197 W HA -0.094 4.566 4.660 -0.000 0.000 0.275 197 W C 2.643 179.068 176.519 -0.157 0.000 1.239 197 W CA 0.869 58.138 57.345 -0.127 0.000 1.266 197 W CB -0.250 29.130 29.460 -0.134 0.000 1.112 197 W HN 0.180 nan 8.180 nan 0.000 0.576 198 Q N 1.446 121.231 119.800 -0.025 0.000 2.050 198 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 198 Q C 1.982 177.936 176.000 -0.077 0.000 0.980 198 Q CA 1.652 57.388 55.803 -0.111 0.000 0.840 198 Q CB -0.289 28.313 28.738 -0.227 0.000 0.898 198 Q HN 0.323 nan 8.270 nan 0.000 0.424 199 R N -0.142 120.308 120.500 -0.083 0.000 2.096 199 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 199 R C 2.423 178.723 176.300 0.000 0.000 1.127 199 R CA 1.124 57.173 56.100 -0.084 0.000 0.968 199 R CB -0.218 30.051 30.300 -0.052 0.000 0.861 199 R HN 0.271 nan 8.270 nan 0.000 0.440 200 L N -0.917 120.272 121.223 -0.057 0.000 2.478 200 L HA 0.104 4.444 4.340 -0.000 0.000 0.223 200 L C 1.256 178.101 176.870 -0.042 0.000 1.140 200 L CA 0.801 55.565 54.840 -0.128 0.000 0.842 200 L CB 0.104 42.061 42.059 -0.170 0.000 0.953 200 L HN 0.558 nan 8.230 nan 0.000 0.452 201 G N -0.867 107.937 108.800 0.006 0.000 2.273 201 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.162 201 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.162 201 G C 0.305 175.205 174.900 -0.001 0.000 1.006 201 G CA -0.192 44.911 45.100 0.005 0.000 0.704 201 G HN 0.371 nan 8.290 nan 0.000 0.487 202 A N 0.320 123.148 122.820 0.013 0.000 2.386 202 A HA 0.538 4.858 4.320 -0.000 0.000 0.248 202 A C 0.052 177.591 177.584 -0.076 0.000 1.082 202 A CA 0.449 52.467 52.037 -0.031 0.000 0.789 202 A CB 0.505 19.494 19.000 -0.019 0.000 1.025 202 A HN 0.307 nan 8.150 nan 0.000 0.490 203 D N 1.722 122.068 120.400 -0.091 0.000 2.396 203 D HA 0.401 5.041 4.640 -0.000 0.000 0.225 203 D C -0.943 175.265 176.300 -0.153 0.000 1.121 203 D CA 0.020 53.958 54.000 -0.104 0.000 0.853 203 D CB 0.815 41.570 40.800 -0.075 0.000 1.043 203 D HN 0.110 nan 8.370 nan 0.000 0.500 204 V N 3.537 123.311 119.914 -0.233 0.000 2.483 204 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 204 V C 0.356 176.259 176.094 -0.320 0.000 1.035 204 V CA -0.528 61.561 62.300 -0.351 0.000 0.896 204 V CB 1.931 33.357 31.823 -0.662 0.000 0.986 204 V HN 0.555 nan 8.190 nan 0.000 0.447 205 T N 3.617 118.041 114.554 -0.216 0.000 2.928 205 T HA 0.695 5.045 4.350 -0.000 0.000 0.296 205 T C -0.283 174.394 174.700 -0.039 0.000 1.000 205 T CA -0.325 61.705 62.100 -0.117 0.000 0.989 205 T CB 1.653 70.479 68.868 -0.069 0.000 1.005 205 T HN 0.937 nan 8.240 nan 0.000 0.442 206 A N 2.847 125.686 122.820 0.031 0.000 2.317 206 A HA 0.794 5.114 4.320 -0.000 0.000 0.327 206 A C -0.357 177.319 177.584 0.155 0.000 1.178 206 A CA -0.607 51.518 52.037 0.148 0.000 0.817 206 A CB 0.768 19.954 19.000 0.309 0.000 1.189 206 A HN 0.678 nan 8.150 nan 0.000 0.489 207 V N 2.338 122.332 119.914 0.134 0.000 2.398 207 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 207 V C -0.299 175.889 176.094 0.156 0.000 1.026 207 V CA -0.336 62.039 62.300 0.125 0.000 0.868 207 V CB 1.326 33.196 31.823 0.077 0.000 0.982 207 V HN 0.990 nan 8.190 nan 0.000 0.443 208 E N 2.937 123.227 120.200 0.150 0.000 2.224 208 E HA 0.362 4.712 4.350 -0.000 0.000 0.265 208 E C -0.020 176.663 176.600 0.138 0.000 0.878 208 E CA -0.636 55.851 56.400 0.144 0.000 0.759 208 E CB 1.441 31.194 29.700 0.089 0.000 1.164 208 E HN 0.415 nan 8.360 nan 0.000 0.414 209 F N 4.168 124.146 119.950 0.047 0.000 2.186 209 F HA 0.124 4.651 4.527 -0.000 0.000 0.299 209 F C 0.362 176.171 175.800 0.014 0.000 1.090 209 F CA 1.035 59.060 58.000 0.041 0.000 1.307 209 F CB 0.234 39.263 39.000 0.048 0.000 1.019 209 F HN 0.432 nan 8.300 nan 0.000 0.489 210 L N -1.098 120.246 121.223 0.202 0.000 2.488 210 L HA 0.286 4.626 4.340 -0.000 0.000 0.249 210 L C 1.652 178.516 176.870 -0.010 0.000 1.151 210 L CA 0.054 54.953 54.840 0.098 0.000 0.806 210 L CB 0.038 42.125 42.059 0.047 0.000 1.261 210 L HN 0.006 nan 8.230 nan 0.000 0.484 211 G N -1.231 107.595 108.800 0.044 0.000 3.314 211 G HA2 0.133 4.093 3.960 -0.000 0.000 0.238 211 G HA3 0.133 4.093 3.960 -0.000 0.000 0.238 211 G C 0.074 175.012 174.900 0.065 0.000 1.184 211 G CA 0.063 45.185 45.100 0.038 0.000 0.806 211 G HN 0.724 nan 8.290 nan 0.000 0.536 212 H N -2.284 116.756 119.070 -0.051 0.000 3.017 212 H HA 0.543 5.099 4.556 -0.000 0.000 0.346 212 H C -1.306 173.959 175.328 -0.105 0.000 1.286 212 H CA -0.802 55.187 56.048 -0.099 0.000 1.120 212 H CB 1.241 30.954 29.762 -0.081 0.000 1.860 212 H HN 0.171 nan 8.280 nan 0.000 0.542 213 V N -1.690 118.122 119.914 -0.171 0.000 2.834 213 V HA 0.762 4.882 4.120 -0.000 0.000 0.313 213 V C 0.997 177.142 176.094 0.084 0.000 1.060 213 V CA 0.328 62.514 62.300 -0.190 0.000 0.989 213 V CB 0.809 32.344 31.823 -0.481 0.000 1.041 213 V HN 1.501 nan 8.190 nan 0.000 0.459 214 G N 0.556 109.445 108.800 0.148 0.000 2.184 214 G HA2 0.330 4.290 3.960 -0.000 0.000 0.206 214 G HA3 0.330 4.290 3.960 -0.000 0.000 0.206 214 G C 1.524 176.592 174.900 0.281 0.000 0.995 214 G CA 0.351 45.621 45.100 0.283 0.000 0.651 214 G HN 2.973 nan 8.290 nan 0.000 0.511 215 G N -1.719 107.200 108.800 0.198 0.000 2.681 215 G HA2 0.152 4.112 3.960 -0.000 0.000 0.220 215 G HA3 0.152 4.112 3.960 -0.000 0.000 0.220 215 G C 0.078 175.156 174.900 0.297 0.000 1.353 215 G CA 0.123 45.352 45.100 0.215 0.000 0.872 215 G HN 1.462 nan 8.290 nan 0.000 0.557 216 V N 1.401 121.462 119.914 0.245 0.000 2.686 216 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 216 V C 1.870 178.108 176.094 0.240 0.000 1.055 216 V CA 2.046 64.475 62.300 0.214 0.000 1.050 216 V CB 0.549 32.463 31.823 0.152 0.000 0.984 216 V HN 2.837 nan 8.190 nan 0.000 0.482 217 G N 4.280 113.161 108.800 0.134 0.000 2.241 217 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 217 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 217 G C 0.307 175.096 174.900 -0.183 0.000 0.998 217 G CA 0.240 45.422 45.100 0.137 0.000 0.621 217 G HN 0.708 nan 8.290 nan 0.000 0.519 218 I N 1.921 122.241 120.570 -0.417 0.000 2.692 218 I HA 0.365 4.535 4.170 -0.000 0.000 0.284 218 I C 0.574 176.262 176.117 -0.714 0.000 1.159 218 I CA -0.106 60.537 61.300 -1.095 0.000 1.423 218 I CB 0.582 38.126 38.000 -0.761 0.000 1.380 218 I HN 0.277 nan 8.210 nan 0.000 0.580 219 D N 6.135 126.074 120.400 -0.769 0.000 2.389 219 D HA 0.022 4.662 4.640 -0.000 0.000 0.247 219 D C 1.065 177.109 176.300 -0.426 0.000 1.128 219 D CA -0.297 53.342 54.000 -0.601 0.000 0.884 219 D CB 0.970 41.244 40.800 -0.877 0.000 1.194 219 D HN 0.420 nan 8.370 nan 0.000 0.441 220 M N 2.377 121.769 119.600 -0.346 0.000 2.108 220 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 220 M C 1.824 178.017 176.300 -0.179 0.000 1.066 220 M CA 1.504 56.648 55.300 -0.260 0.000 1.107 220 M CB -1.079 31.391 32.600 -0.217 0.000 1.356 220 M HN 0.728 nan 8.290 nan 0.000 0.406 221 E N 0.472 120.569 120.200 -0.171 0.000 2.077 221 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 221 E C 1.985 178.528 176.600 -0.095 0.000 0.989 221 E CA 1.007 57.340 56.400 -0.111 0.000 0.800 221 E CB 0.157 29.800 29.700 -0.095 0.000 0.746 221 E HN 0.290 nan 8.360 nan 0.000 0.452 222 I N 1.133 121.618 120.570 -0.141 0.000 2.179 222 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 222 I C 2.667 178.761 176.117 -0.038 0.000 1.088 222 I CA 1.254 62.497 61.300 -0.095 0.000 1.357 222 I CB -1.418 36.489 38.000 -0.155 0.000 1.051 222 I HN 0.215 nan 8.210 nan 0.000 0.409 223 S N 0.532 116.183 115.700 -0.082 0.000 2.370 223 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 223 S C 2.037 176.655 174.600 0.030 0.000 1.033 223 S CA 1.699 59.912 58.200 0.021 0.000 1.011 223 S CB -0.023 63.161 63.200 -0.026 0.000 0.852 223 S HN 0.228 nan 8.310 nan 0.000 0.457 224 K N 1.530 121.915 120.400 -0.025 0.000 2.026 224 K HA 0.059 4.379 4.320 -0.000 0.000 0.208 224 K C 1.928 178.523 176.600 -0.008 0.000 1.048 224 K CA 1.919 58.185 56.287 -0.035 0.000 0.929 224 K CB -0.538 31.938 32.500 -0.040 0.000 0.713 224 K HN 0.554 nan 8.250 nan 0.000 0.439 225 N N -0.806 117.908 118.700 0.024 0.000 2.166 225 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 225 N C 1.525 177.104 175.510 0.115 0.000 1.019 225 N CA 0.836 53.919 53.050 0.054 0.000 0.856 225 N CB -0.207 38.311 38.487 0.052 0.000 0.993 225 N HN 0.047 nan 8.380 nan 0.000 0.426 226 F N 2.458 122.379 119.950 -0.048 0.000 2.075 226 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 226 F C 2.589 178.346 175.800 -0.072 0.000 1.113 226 F CA 1.494 59.468 58.000 -0.043 0.000 1.218 226 F CB -0.792 38.179 39.000 -0.049 0.000 0.984 226 F HN 0.024 nan 8.300 nan 0.000 0.472 227 Q N 0.052 119.707 119.800 -0.241 0.000 2.061 227 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 227 Q C 2.467 178.352 176.000 -0.192 0.000 0.984 227 Q CA 2.028 57.555 55.803 -0.460 0.000 0.846 227 Q CB -0.257 28.198 28.738 -0.471 0.000 0.902 227 Q HN 0.344 nan 8.270 nan 0.000 0.421 228 R N 0.051 120.503 120.500 -0.080 0.000 2.083 228 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 228 R C 2.226 178.544 176.300 0.030 0.000 1.137 228 R CA 1.715 57.812 56.100 -0.005 0.000 0.951 228 R CB -0.245 30.062 30.300 0.011 0.000 0.851 228 R HN 0.370 nan 8.270 nan 0.000 0.434 229 I N 0.036 120.629 120.570 0.039 0.000 2.315 229 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 229 I C 1.879 178.044 176.117 0.080 0.000 1.117 229 I CA 1.030 62.377 61.300 0.079 0.000 1.404 229 I CB -0.129 37.946 38.000 0.124 0.000 1.071 229 I HN 0.193 nan 8.210 nan 0.000 0.419 230 L N -0.142 121.086 121.223 0.008 0.000 2.093 230 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 230 L C 2.576 179.542 176.870 0.159 0.000 1.085 230 L CA 1.306 56.175 54.840 0.048 0.000 0.755 230 L CB -0.512 41.453 42.059 -0.156 0.000 0.904 230 L HN 0.304 nan 8.230 nan 0.000 0.435 231 Q N 0.076 119.968 119.800 0.152 0.000 2.124 231 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 231 Q C 2.085 178.159 176.000 0.123 0.000 0.977 231 Q CA 1.391 57.296 55.803 0.170 0.000 0.850 231 Q CB 0.045 28.876 28.738 0.155 0.000 0.901 231 Q HN 0.447 nan 8.270 nan 0.000 0.429 232 K N 0.280 120.743 120.400 0.105 0.000 2.365 232 K HA -0.125 4.195 4.320 -0.000 0.000 0.199 232 K C 1.793 178.456 176.600 0.106 0.000 1.045 232 K CA 0.734 57.078 56.287 0.095 0.000 0.962 232 K CB 0.084 32.638 32.500 0.089 0.000 0.759 232 K HN 0.254 nan 8.250 nan 0.000 0.469 233 Q N -0.655 119.220 119.800 0.126 0.000 2.435 233 Q HA -0.014 4.326 4.340 -0.000 0.000 0.207 233 Q C 1.032 177.082 176.000 0.084 0.000 0.956 233 Q CA 0.810 56.686 55.803 0.121 0.000 0.917 233 Q CB 0.541 29.372 28.738 0.155 0.000 0.997 233 Q HN 0.562 nan 8.270 nan 0.000 0.497 234 G N 0.078 108.936 108.800 0.097 0.000 2.255 234 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.196 234 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.196 234 G C -0.275 174.665 174.900 0.066 0.000 0.998 234 G CA -0.525 44.609 45.100 0.057 0.000 0.656 234 G HN 0.280 nan 8.290 nan 0.000 0.490 235 F N 3.783 123.687 119.950 -0.078 0.000 2.502 235 F HA 0.578 5.105 4.527 -0.000 0.000 0.371 235 F C 0.791 176.399 175.800 -0.319 0.000 1.083 235 F CA -0.574 57.299 58.000 -0.211 0.000 1.174 235 F CB 0.365 39.256 39.000 -0.181 0.000 1.096 235 F HN 0.063 nan 8.300 nan 0.000 0.545 236 K N 5.520 125.938 120.400 0.030 0.000 2.098 236 K HA 0.585 4.905 4.320 -0.000 0.000 0.258 236 K C -1.386 174.993 176.600 -0.369 0.000 0.973 236 K CA -0.521 55.718 56.287 -0.080 0.000 0.898 236 K CB 1.427 33.909 32.500 -0.029 0.000 1.057 236 K HN 0.373 nan 8.250 nan 0.000 0.447 237 F N 0.723 120.722 119.950 0.083 0.000 2.578 237 F HA 0.360 4.887 4.527 -0.000 0.000 0.311 237 F C -0.083 175.729 175.800 0.020 0.000 1.094 237 F CA -0.993 57.028 58.000 0.036 0.000 0.923 237 F CB 1.802 40.770 39.000 -0.054 0.000 1.230 237 F HN 0.035 nan 8.300 nan 0.000 0.450 238 K N 4.753 125.281 120.400 0.213 0.000 2.540 238 K HA 0.439 4.759 4.320 -0.000 0.000 0.218 238 K C -0.825 175.837 176.600 0.103 0.000 1.017 238 K CA -0.169 56.188 56.287 0.117 0.000 1.029 238 K CB 1.145 33.689 32.500 0.074 0.000 1.348 238 K HN 0.572 nan 8.250 nan 0.000 0.508 239 L N 1.191 122.458 121.223 0.073 0.000 2.456 239 L HA 0.242 4.582 4.340 -0.000 0.000 0.257 239 L C 0.860 177.714 176.870 -0.027 0.000 1.162 239 L CA -0.618 54.233 54.840 0.019 0.000 0.808 239 L CB 0.188 42.237 42.059 -0.016 0.000 1.136 239 L HN 0.601 nan 8.230 nan 0.000 0.466 240 N N -0.000 118.656 118.700 -0.073 0.000 2.710 240 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 240 N C -0.533 174.861 175.510 -0.193 0.000 1.059 240 N CA 0.937 53.886 53.050 -0.168 0.000 0.720 240 N CB -1.127 37.289 38.487 -0.119 0.000 0.983 240 N HN 0.702 nan 8.380 nan 0.000 0.544 241 T N 0.399 114.870 114.554 -0.137 0.000 2.876 241 T HA 0.390 4.740 4.350 -0.000 0.000 0.289 241 T C 0.207 174.899 174.700 -0.013 0.000 1.014 241 T CA -0.701 61.354 62.100 -0.075 0.000 0.986 241 T CB 2.909 71.779 68.868 0.003 0.000 1.021 241 T HN 0.109 nan 8.240 nan 0.000 0.458 242 K N 2.397 122.818 120.400 0.035 0.000 2.221 242 K HA 0.586 4.906 4.320 -0.000 0.000 0.258 242 K C -1.016 175.706 176.600 0.203 0.000 0.944 242 K CA -0.637 55.785 56.287 0.224 0.000 0.823 242 K CB 1.292 33.928 32.500 0.228 0.000 1.113 242 K HN 0.345 nan 8.250 nan 0.000 0.431 243 V N 4.319 124.403 119.914 0.284 0.000 2.389 243 V HA 0.029 4.149 4.120 -0.000 0.000 0.264 243 V C 1.396 177.648 176.094 0.262 0.000 1.049 243 V CA -0.107 62.302 62.300 0.181 0.000 0.932 243 V CB 0.815 32.637 31.823 -0.001 0.000 1.011 243 V HN 1.041 nan 8.190 nan 0.000 0.475 244 T N 1.147 115.792 114.554 0.151 0.000 3.088 244 T HA 0.406 4.756 4.350 -0.000 0.000 0.259 244 T C 0.755 175.536 174.700 0.134 0.000 1.122 244 T CA 0.516 62.707 62.100 0.151 0.000 1.095 244 T CB 0.247 69.171 68.868 0.094 0.000 0.930 244 T HN 1.143 nan 8.240 nan 0.000 0.508 245 G N -0.358 108.485 108.800 0.071 0.000 2.328 245 G HA2 0.561 4.521 3.960 -0.000 0.000 0.299 245 G HA3 0.561 4.521 3.960 -0.000 0.000 0.299 245 G C -1.972 172.900 174.900 -0.048 0.000 1.435 245 G CA -0.477 44.642 45.100 0.032 0.000 0.865 245 G HN 0.770 nan 8.290 nan 0.000 0.601 246 A N -0.368 122.420 122.820 -0.053 0.000 2.520 246 A HA 1.010 5.330 4.320 -0.000 0.000 0.298 246 A C -0.247 177.313 177.584 -0.041 0.000 1.051 246 A CA 0.157 52.151 52.037 -0.071 0.000 0.690 246 A CB 1.913 20.837 19.000 -0.125 0.000 1.281 246 A HN 2.231 nan 8.150 nan 0.000 0.402 247 T N -0.310 114.221 114.554 -0.038 0.000 2.928 247 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 247 T C -0.731 173.950 174.700 -0.032 0.000 1.000 247 T CA -0.781 61.303 62.100 -0.027 0.000 0.989 247 T CB 1.230 70.088 68.868 -0.017 0.000 1.005 247 T HN 0.579 nan 8.240 nan 0.000 0.442 248 K N 2.550 122.932 120.400 -0.030 0.000 2.298 248 K HA 0.363 4.683 4.320 -0.000 0.000 0.280 248 K C 0.133 176.716 176.600 -0.027 0.000 1.032 248 K CA -0.545 55.722 56.287 -0.033 0.000 0.958 248 K CB 0.956 33.437 32.500 -0.031 0.000 0.978 248 K HN 0.550 nan 8.250 nan 0.000 0.472 249 K N 0.252 120.634 120.400 -0.029 0.000 2.185 249 K HA 0.103 4.423 4.320 -0.000 0.000 0.240 249 K C 1.260 177.845 176.600 -0.024 0.000 0.983 249 K CA -0.395 55.877 56.287 -0.025 0.000 0.873 249 K CB 1.538 34.023 32.500 -0.025 0.000 1.118 249 K HN 0.635 nan 8.250 nan 0.000 0.441 250 S N 0.169 115.857 115.700 -0.020 0.000 2.440 250 S HA -0.176 4.294 4.470 -0.000 0.000 0.238 250 S C 1.142 175.729 174.600 -0.021 0.000 1.010 250 S CA 1.795 59.983 58.200 -0.019 0.000 0.972 250 S CB -0.374 62.816 63.200 -0.015 0.000 0.774 250 S HN 0.762 nan 8.310 nan 0.000 0.501 251 D N 0.157 120.544 120.400 -0.023 0.000 2.340 251 D HA 0.236 4.876 4.640 -0.000 0.000 0.220 251 D C 1.497 177.778 176.300 -0.031 0.000 1.039 251 D CA 0.699 54.684 54.000 -0.025 0.000 0.866 251 D CB -0.593 40.193 40.800 -0.024 0.000 0.913 251 D HN 0.621 nan 8.370 nan 0.000 0.523 252 G N 0.006 108.787 108.800 -0.033 0.000 2.241 252 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 252 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 252 G C 0.411 175.284 174.900 -0.046 0.000 0.998 252 G CA 0.091 45.167 45.100 -0.040 0.000 0.621 252 G HN 0.334 nan 8.290 nan 0.000 0.519 253 K N 0.368 120.742 120.400 -0.043 0.000 2.149 253 K HA 0.618 4.938 4.320 -0.000 0.000 0.245 253 K C 0.538 177.109 176.600 -0.049 0.000 1.024 253 K CA -0.059 56.199 56.287 -0.048 0.000 0.899 253 K CB 0.706 33.181 32.500 -0.042 0.000 1.038 253 K HN 0.414 nan 8.250 nan 0.000 0.496 254 I N 1.238 121.775 120.570 -0.055 0.000 2.466 254 I HA 0.137 4.307 4.170 -0.000 0.000 0.289 254 I C -0.640 175.445 176.117 -0.053 0.000 1.026 254 I CA -0.831 60.436 61.300 -0.056 0.000 1.078 254 I CB 2.025 39.984 38.000 -0.068 0.000 1.249 254 I HN 0.248 nan 8.210 nan 0.000 0.429 255 D N 5.484 125.856 120.400 -0.046 0.000 2.280 255 D HA 0.372 5.012 4.640 -0.000 0.000 0.236 255 D C -0.637 175.635 176.300 -0.047 0.000 1.082 255 D CA -0.080 53.895 54.000 -0.041 0.000 0.834 255 D CB 2.324 43.106 40.800 -0.029 0.000 1.100 255 D HN 0.034 nan 8.370 nan 0.000 0.486 256 V N 2.657 122.540 119.914 -0.051 0.000 2.328 256 V HA 0.275 4.395 4.120 -0.000 0.000 0.278 256 V C 0.276 176.348 176.094 -0.037 0.000 1.021 256 V CA -0.590 61.673 62.300 -0.061 0.000 0.838 256 V CB 1.358 33.136 31.823 -0.076 0.000 0.999 256 V HN 0.431 nan 8.190 nan 0.000 0.447 257 S N 6.540 122.224 115.700 -0.027 0.000 2.513 257 S HA 0.744 5.214 4.470 -0.000 0.000 0.276 257 S C -0.140 174.467 174.600 0.012 0.000 1.254 257 S CA -0.362 57.837 58.200 -0.003 0.000 1.053 257 S CB 0.709 63.914 63.200 0.009 0.000 0.958 257 S HN 0.700 nan 8.310 nan 0.000 0.491 258 I N -0.261 120.320 120.570 0.018 0.000 3.074 258 I HA 0.776 4.946 4.170 -0.000 0.000 0.310 258 I C -0.771 175.365 176.117 0.030 0.000 1.153 258 I CA -0.921 60.399 61.300 0.034 0.000 0.993 258 I CB 2.237 40.252 38.000 0.026 0.000 1.237 258 I HN 0.416 nan 8.210 nan 0.000 0.443 259 E N 1.372 121.592 120.200 0.034 0.000 2.433 259 E HA 0.645 4.995 4.350 -0.000 0.000 0.278 259 E C -1.181 175.415 176.600 -0.006 0.000 0.976 259 E CA -1.300 55.110 56.400 0.018 0.000 0.793 259 E CB 2.432 32.150 29.700 0.029 0.000 1.311 259 E HN 0.880 nan 8.360 nan 0.000 0.460 260 A N 0.770 123.576 122.820 -0.023 0.000 2.462 260 A HA 0.388 4.708 4.320 -0.000 0.000 0.243 260 A C 1.098 178.622 177.584 -0.101 0.000 1.076 260 A CA 0.781 52.782 52.037 -0.059 0.000 0.773 260 A CB 0.419 19.391 19.000 -0.047 0.000 1.010 260 A HN 0.745 nan 8.150 nan 0.000 0.493 261 A N 1.893 124.583 122.820 -0.216 0.000 1.948 261 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 261 A C 1.973 179.434 177.584 -0.205 0.000 1.177 261 A CA 2.204 54.002 52.037 -0.399 0.000 0.636 261 A CB -0.795 17.683 19.000 -0.870 0.000 0.815 261 A HN 1.769 nan 8.150 nan 0.000 0.449 262 S N -0.841 114.779 115.700 -0.134 0.000 2.677 262 S HA 0.460 4.930 4.470 -0.000 0.000 0.246 262 S C 0.766 175.352 174.600 -0.024 0.000 1.005 262 S CA 0.409 58.575 58.200 -0.057 0.000 1.062 262 S CB -1.217 61.954 63.200 -0.049 0.000 0.778 262 S HN 2.038 nan 8.310 nan 0.000 0.461 263 G N -0.425 108.365 108.800 -0.017 0.000 2.728 263 G HA2 0.416 4.376 3.960 -0.000 0.000 0.686 263 G HA3 0.416 4.376 3.960 -0.000 0.000 0.686 263 G C 0.319 175.217 174.900 -0.003 0.000 1.337 263 G CA -0.544 44.557 45.100 0.002 0.000 0.861 263 G HN 2.052 nan 8.290 nan 0.000 0.597 264 G N 0.846 109.649 108.800 0.004 0.000 2.698 264 G HA2 0.374 4.334 3.960 -0.000 0.000 0.225 264 G HA3 0.374 4.334 3.960 -0.000 0.000 0.225 264 G C 0.390 175.290 174.900 0.000 0.000 1.345 264 G CA 1.039 46.140 45.100 0.003 0.000 0.871 264 G HN 2.534 nan 8.290 nan 0.000 0.540 265 K N -1.936 118.464 120.400 0.000 0.000 3.096 265 K HA 0.061 4.381 4.320 -0.000 0.000 0.266 265 K C 0.726 177.328 176.600 0.004 0.000 1.043 265 K CA 2.070 58.357 56.287 -0.000 0.000 0.758 265 K CB -1.572 30.925 32.500 -0.006 0.000 1.260 265 K HN 2.366 nan 8.250 nan 0.000 0.481 266 A N 1.321 124.145 122.820 0.007 0.000 2.548 266 A HA 0.313 4.633 4.320 -0.000 0.000 0.247 266 A C 0.100 177.689 177.584 0.007 0.000 1.067 266 A CA 0.732 52.775 52.037 0.010 0.000 0.757 266 A CB 0.119 19.126 19.000 0.011 0.000 0.996 266 A HN 0.514 nan 8.150 nan 0.000 0.504 267 E N 0.640 120.844 120.200 0.007 0.000 2.446 267 E HA 0.653 5.003 4.350 -0.000 0.000 0.276 267 E C -1.590 175.011 176.600 0.001 0.000 0.969 267 E CA -0.900 55.502 56.400 0.003 0.000 0.800 267 E CB 2.412 32.114 29.700 0.003 0.000 1.341 267 E HN 0.383 nan 8.360 nan 0.000 0.460 268 V N 1.856 121.768 119.914 -0.004 0.000 2.686 268 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 268 V C -0.756 175.329 176.094 -0.015 0.000 1.065 268 V CA -0.619 61.675 62.300 -0.010 0.000 0.894 268 V CB 1.658 33.475 31.823 -0.010 0.000 1.004 268 V HN 0.515 nan 8.190 nan 0.000 0.424 269 I N 2.894 123.450 120.570 -0.022 0.000 2.433 269 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 269 I C -0.124 175.971 176.117 -0.037 0.000 1.001 269 I CA -0.276 61.007 61.300 -0.029 0.000 1.119 269 I CB 2.421 40.402 38.000 -0.031 0.000 1.289 269 I HN 0.532 nan 8.210 nan 0.000 0.438 270 T N 4.967 119.498 114.554 -0.038 0.000 2.794 270 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 270 T C -0.351 174.317 174.700 -0.054 0.000 0.987 270 T CA -0.505 61.569 62.100 -0.044 0.000 0.993 270 T CB 1.081 69.927 68.868 -0.037 0.000 0.939 270 T HN 0.810 nan 8.240 nan 0.000 0.449 271 C N 1.118 120.380 119.300 -0.063 0.000 3.285 271 C HA 0.657 5.117 4.460 -0.000 0.000 0.320 271 C C 0.537 175.478 174.990 -0.083 0.000 1.411 271 C CA -0.782 58.190 59.018 -0.077 0.000 1.429 271 C CB 1.204 28.891 27.740 -0.088 0.000 1.812 271 C HN 0.779 nan 8.230 nan 0.000 0.454 272 D N -0.136 120.205 120.400 -0.099 0.000 2.338 272 D HA 0.196 4.836 4.640 -0.000 0.000 0.208 272 D C -0.002 176.222 176.300 -0.127 0.000 0.997 272 D CA 1.063 54.999 54.000 -0.106 0.000 0.880 272 D CB 1.006 41.738 40.800 -0.113 0.000 0.980 272 D HN 0.408 nan 8.370 nan 0.000 0.509 273 V N 1.752 121.579 119.914 -0.144 0.000 2.733 273 V HA 0.266 4.386 4.120 -0.000 0.000 0.306 273 V C -1.116 174.895 176.094 -0.138 0.000 1.084 273 V CA -0.905 61.299 62.300 -0.161 0.000 0.905 273 V CB 2.926 34.606 31.823 -0.239 0.000 1.010 273 V HN -0.068 nan 8.190 nan 0.000 0.424 274 L N 5.986 127.139 121.223 -0.117 0.000 2.305 274 L HA 0.744 5.084 4.340 -0.000 0.000 0.284 274 L C -0.949 175.869 176.870 -0.086 0.000 1.013 274 L CA -0.334 54.445 54.840 -0.102 0.000 0.819 274 L CB 1.445 43.443 42.059 -0.103 0.000 1.227 274 L HN 0.651 nan 8.230 nan 0.000 0.417 275 L N 6.737 127.921 121.223 -0.064 0.000 2.305 275 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 275 L C -1.174 175.695 176.870 -0.002 0.000 1.013 275 L CA -0.262 54.563 54.840 -0.025 0.000 0.819 275 L CB 1.665 43.725 42.059 0.001 0.000 1.227 275 L HN 0.371 nan 8.230 nan 0.000 0.417 276 V N 5.107 125.028 119.914 0.011 0.000 2.333 276 V HA 0.337 4.457 4.120 -0.000 0.000 0.274 276 V C -0.059 176.084 176.094 0.082 0.000 1.028 276 V CA -0.335 61.989 62.300 0.040 0.000 0.851 276 V CB 0.778 32.629 31.823 0.046 0.000 1.000 276 V HN 0.998 nan 8.190 nan 0.000 0.456 277 C N 4.053 123.417 119.300 0.107 0.000 3.498 277 C HA 0.511 4.971 4.460 -0.000 0.000 0.218 277 C C 0.770 175.838 174.990 0.129 0.000 1.284 277 C CA -0.790 58.297 59.018 0.115 0.000 1.343 277 C CB -1.221 26.589 27.740 0.117 0.000 1.825 277 C HN 0.857 nan 8.230 nan 0.000 0.518 278 I N -0.173 120.480 120.570 0.138 0.000 3.891 278 I HA 0.670 4.840 4.170 -0.000 0.000 0.331 278 I C 0.752 176.921 176.117 0.086 0.000 1.406 278 I CA 0.522 61.899 61.300 0.128 0.000 1.139 278 I CB -0.227 37.869 38.000 0.160 0.000 1.056 278 I HN 0.866 nan 8.210 nan 0.000 0.399 279 G N 1.198 110.049 108.800 0.084 0.000 2.354 279 G HA2 0.089 4.049 3.960 -0.000 0.000 0.582 279 G HA3 0.089 4.049 3.960 -0.000 0.000 0.582 279 G C -1.187 173.750 174.900 0.061 0.000 1.316 279 G CA -1.108 44.032 45.100 0.066 0.000 0.995 279 G HN 0.334 nan 8.290 nan 0.000 0.573 280 R N -0.575 119.956 120.500 0.051 0.000 2.867 280 R HA 0.835 5.175 4.340 -0.000 0.000 0.268 280 R C 0.103 176.431 176.300 0.047 0.000 1.014 280 R CA -0.994 55.136 56.100 0.051 0.000 0.946 280 R CB 2.354 32.682 30.300 0.046 0.000 1.208 280 R HN 0.933 nan 8.270 nan 0.000 0.477 281 R N -0.110 120.426 120.500 0.059 0.000 2.774 281 R HA 0.515 4.855 4.340 -0.000 0.000 0.272 281 R C -3.074 173.279 176.300 0.089 0.000 1.000 281 R CA -2.313 53.823 56.100 0.059 0.000 0.906 281 R CB 1.444 31.775 30.300 0.052 0.000 1.227 281 R HN 0.241 nan 8.270 nan 0.000 0.468 282 P HA -0.068 nan 4.420 nan 0.000 0.262 282 P C -1.348 176.038 177.300 0.143 0.000 1.182 282 P CA 0.249 63.404 63.100 0.091 0.000 0.761 282 P CB 0.123 31.851 31.700 0.045 0.000 0.795 283 F N 3.823 123.783 119.950 0.016 0.000 2.402 283 F HA 0.415 4.942 4.527 -0.000 0.000 0.355 283 F C 0.508 176.323 175.800 0.024 0.000 1.123 283 F CA -0.086 57.928 58.000 0.024 0.000 1.021 283 F CB 1.065 40.078 39.000 0.023 0.000 1.160 283 F HN 0.284 nan 8.300 nan 0.000 0.451 284 T N 1.304 115.568 114.554 -0.483 0.000 3.332 284 T HA 0.188 4.538 4.350 -0.000 0.000 0.304 284 T C 0.160 174.616 174.700 -0.406 0.000 0.971 284 T CA -0.582 61.325 62.100 -0.321 0.000 0.954 284 T CB -0.300 68.487 68.868 -0.135 0.000 1.175 284 T HN 0.508 nan 8.240 nan 0.000 0.519 285 K N 2.400 122.318 120.400 -0.803 0.000 2.472 285 K HA 0.053 4.373 4.320 -0.000 0.000 0.280 285 K C -0.017 176.538 176.600 -0.075 0.000 1.028 285 K CA 0.133 56.163 56.287 -0.428 0.000 1.045 285 K CB 0.040 32.255 32.500 -0.474 0.000 0.902 285 K HN 0.236 nan 8.250 nan 0.000 0.478 286 N N 2.483 121.171 118.700 -0.019 0.000 2.735 286 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 286 N C 0.192 175.796 175.510 0.157 0.000 1.083 286 N CA 0.633 53.720 53.050 0.062 0.000 0.703 286 N CB -0.873 37.624 38.487 0.018 0.000 1.005 286 N HN 0.510 nan 8.380 nan 0.000 0.550 287 L N -0.694 120.573 121.223 0.074 0.000 2.416 287 L HA 0.279 4.619 4.340 -0.000 0.000 0.216 287 L C 1.613 178.511 176.870 0.046 0.000 1.098 287 L CA 1.997 56.878 54.840 0.069 0.000 0.840 287 L CB -0.043 42.024 42.059 0.013 0.000 0.981 287 L HN 0.482 nan 8.230 nan 0.000 0.462 288 G N -1.354 107.462 108.800 0.026 0.000 2.148 288 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.203 288 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.203 288 G C 0.924 175.826 174.900 0.004 0.000 0.993 288 G CA 0.366 45.475 45.100 0.016 0.000 0.661 288 G HN 0.309 nan 8.290 nan 0.000 0.518 289 L N 0.011 121.232 121.223 -0.004 0.000 2.093 289 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 289 L C 2.545 179.409 176.870 -0.011 0.000 1.085 289 L CA 1.930 56.764 54.840 -0.009 0.000 0.755 289 L CB -0.280 41.770 42.059 -0.016 0.000 0.904 289 L HN 0.496 nan 8.230 nan 0.000 0.435 290 E N 0.145 120.337 120.200 -0.014 0.000 2.110 290 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 290 E C 1.986 178.580 176.600 -0.010 0.000 0.988 290 E CA 0.906 57.298 56.400 -0.014 0.000 0.804 290 E CB 0.248 29.939 29.700 -0.016 0.000 0.745 290 E HN 0.375 nan 8.360 nan 0.000 0.458 291 E N 0.597 120.793 120.200 -0.006 0.000 2.072 291 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 291 E C 2.255 178.852 176.600 -0.004 0.000 0.985 291 E CA 0.734 57.131 56.400 -0.004 0.000 0.801 291 E CB -0.248 29.452 29.700 0.000 0.000 0.750 291 E HN 0.392 nan 8.360 nan 0.000 0.452 292 L N -0.530 120.690 121.223 -0.004 0.000 2.291 292 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 292 L C 1.488 178.352 176.870 -0.009 0.000 1.120 292 L CA 0.875 55.712 54.840 -0.006 0.000 0.799 292 L CB -0.218 41.838 42.059 -0.005 0.000 0.925 292 L HN 0.344 nan 8.230 nan 0.000 0.446 293 G N 0.190 108.984 108.800 -0.010 0.000 2.159 293 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.227 293 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.227 293 G C 0.214 175.106 174.900 -0.014 0.000 0.986 293 G CA -0.401 44.692 45.100 -0.012 0.000 0.651 293 G HN 0.242 nan 8.290 nan 0.000 0.523 294 I N 2.592 123.154 120.570 -0.014 0.000 2.294 294 I HA 0.253 4.423 4.170 -0.000 0.000 0.295 294 I C 0.877 176.985 176.117 -0.014 0.000 1.098 294 I CA -0.319 60.972 61.300 -0.015 0.000 1.277 294 I CB 0.397 38.389 38.000 -0.013 0.000 1.434 294 I HN 0.411 nan 8.210 nan 0.000 0.498 295 E N 7.669 127.860 120.200 -0.014 0.000 2.266 295 E HA 0.516 4.866 4.350 -0.000 0.000 0.277 295 E C -0.968 175.624 176.600 -0.013 0.000 1.018 295 E CA -0.766 55.625 56.400 -0.014 0.000 0.840 295 E CB 1.746 31.438 29.700 -0.014 0.000 1.082 295 E HN 0.447 nan 8.360 nan 0.000 0.395 296 L N 1.933 123.147 121.223 -0.014 0.000 2.439 296 L HA 0.213 4.553 4.340 -0.000 0.000 0.259 296 L C 0.627 177.491 176.870 -0.011 0.000 1.129 296 L CA -0.950 53.882 54.840 -0.012 0.000 0.803 296 L CB 0.405 42.454 42.059 -0.017 0.000 1.161 296 L HN 0.726 nan 8.230 nan 0.000 0.462 297 D N 0.143 120.538 120.400 -0.009 0.000 2.411 297 D HA 0.153 4.793 4.640 -0.000 0.000 0.251 297 D C -2.036 174.258 176.300 -0.011 0.000 1.201 297 D CA -1.923 52.072 54.000 -0.009 0.000 0.996 297 D CB 0.009 40.804 40.800 -0.007 0.000 1.101 297 D HN 0.151 nan 8.370 nan 0.000 0.504 298 P HA -0.085 nan 4.420 nan 0.000 0.217 298 P C 0.786 178.077 177.300 -0.014 0.000 1.148 298 P CA 1.358 64.450 63.100 -0.014 0.000 0.828 298 P CB 0.121 31.813 31.700 -0.014 0.000 0.783 299 R N -1.703 118.790 120.500 -0.012 0.000 2.335 299 R HA 0.302 4.642 4.340 -0.000 0.000 0.223 299 R C 1.154 177.450 176.300 -0.006 0.000 0.940 299 R CA 0.590 56.684 56.100 -0.011 0.000 1.086 299 R CB -0.450 29.844 30.300 -0.010 0.000 1.073 299 R HN 0.132 nan 8.270 nan 0.000 0.504 300 G N 1.365 110.160 108.800 -0.008 0.000 2.143 300 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.249 300 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.249 300 G C -0.045 174.853 174.900 -0.003 0.000 0.981 300 G CA -0.155 44.940 45.100 -0.009 0.000 0.665 300 G HN 0.291 nan 8.290 nan 0.000 0.528 301 R N -0.511 119.989 120.500 0.000 0.000 2.500 301 R HA 0.640 4.980 4.340 -0.000 0.000 0.277 301 R C 0.549 176.854 176.300 0.009 0.000 1.026 301 R CA -0.823 55.282 56.100 0.008 0.000 1.058 301 R CB 1.129 31.434 30.300 0.008 0.000 1.078 301 R HN 0.242 nan 8.270 nan 0.000 0.509 302 I N 3.962 124.543 120.570 0.020 0.000 2.363 302 I HA 0.140 4.310 4.170 -0.000 0.000 0.292 302 I C -1.962 174.171 176.117 0.027 0.000 1.075 302 I CA -1.996 59.317 61.300 0.021 0.000 1.333 302 I CB 0.818 38.839 38.000 0.034 0.000 1.415 302 I HN 0.213 nan 8.210 nan 0.000 0.502 303 P HA 0.141 nan 4.420 nan 0.000 0.271 303 P C -0.834 176.470 177.300 0.007 0.000 1.216 303 P CA -0.065 63.039 63.100 0.006 0.000 0.771 303 P CB 0.856 32.553 31.700 -0.006 0.000 0.864 304 V N -0.253 119.663 119.914 0.004 0.000 3.147 304 V HA 0.668 4.788 4.120 -0.000 0.000 0.306 304 V C -0.467 175.585 176.094 -0.069 0.000 1.209 304 V CA -1.118 61.175 62.300 -0.012 0.000 1.023 304 V CB 2.020 33.882 31.823 0.064 0.000 1.059 304 V HN 0.548 nan 8.190 nan 0.000 0.435 305 N N 0.224 118.865 118.700 -0.100 0.000 2.531 305 N HA 0.318 5.058 4.740 -0.000 0.000 0.301 305 N C 1.176 176.539 175.510 -0.245 0.000 1.310 305 N CA 0.347 53.321 53.050 -0.126 0.000 0.949 305 N CB -0.465 37.970 38.487 -0.087 0.000 1.111 305 N HN 0.939 nan 8.380 nan 0.000 0.565 306 T N -3.060 111.377 114.554 -0.195 0.000 2.929 306 T HA -0.057 4.293 4.350 -0.000 0.000 0.271 306 T C 1.202 175.733 174.700 -0.281 0.000 1.085 306 T CA 0.954 62.908 62.100 -0.244 0.000 1.125 306 T CB -0.316 68.495 68.868 -0.095 0.000 0.874 306 T HN 0.475 nan 8.240 nan 0.000 0.494 307 R N -0.243 120.182 120.500 -0.126 0.000 2.359 307 R HA 0.380 4.720 4.340 -0.000 0.000 0.231 307 R C -0.250 176.238 176.300 0.314 0.000 0.913 307 R CA -0.249 55.911 56.100 0.101 0.000 1.075 307 R CB -0.198 30.198 30.300 0.158 0.000 1.087 307 R HN 0.317 nan 8.270 nan 0.000 0.515 308 F N 0.121 120.166 119.950 0.158 0.000 2.965 308 F HA -0.272 4.255 4.527 -0.000 0.000 0.287 308 F C -0.017 175.882 175.800 0.166 0.000 0.790 308 F CA 0.564 58.676 58.000 0.186 0.000 1.279 308 F CB -2.000 37.128 39.000 0.213 0.000 1.409 308 F HN 0.156 nan 8.300 nan 0.000 0.446 309 Q N 0.217 120.033 119.800 0.026 0.000 2.259 309 Q HA 0.494 4.834 4.340 -0.000 0.000 0.249 309 Q C 1.029 176.934 176.000 -0.158 0.000 0.914 309 Q CA 0.199 55.813 55.803 -0.314 0.000 0.904 309 Q CB 1.674 30.199 28.738 -0.355 0.000 1.213 309 Q HN 0.393 nan 8.270 nan 0.000 0.428 310 T N -1.642 112.808 114.554 -0.173 0.000 2.994 310 T HA 0.153 4.503 4.350 -0.000 0.000 0.322 310 T C 1.067 175.712 174.700 -0.093 0.000 1.199 310 T CA -0.395 61.654 62.100 -0.086 0.000 0.945 310 T CB 0.448 69.283 68.868 -0.055 0.000 1.754 310 T HN 0.582 nan 8.240 nan 0.000 0.571 311 K N -0.567 119.795 120.400 -0.063 0.000 2.148 311 K HA 0.122 4.442 4.320 -0.000 0.000 0.204 311 K C 0.421 176.982 176.600 -0.065 0.000 1.050 311 K CA 0.710 56.964 56.287 -0.055 0.000 0.942 311 K CB -0.368 32.110 32.500 -0.037 0.000 0.724 311 K HN 0.566 nan 8.250 nan 0.000 0.446 312 I N 2.260 122.786 120.570 -0.074 0.000 2.291 312 I HA 0.101 4.271 4.170 -0.000 0.000 0.292 312 I C -1.917 174.123 176.117 -0.127 0.000 1.064 312 I CA -2.125 59.130 61.300 -0.075 0.000 1.269 312 I CB 1.307 39.276 38.000 -0.051 0.000 1.418 312 I HN -0.081 nan 8.210 nan 0.000 0.485 313 P HA -0.250 nan 4.420 nan 0.000 0.221 313 P C 0.816 177.980 177.300 -0.227 0.000 1.153 313 P CA 1.492 64.494 63.100 -0.163 0.000 0.858 313 P CB -0.050 31.602 31.700 -0.080 0.000 0.783 314 N N -1.518 117.104 118.700 -0.131 0.000 2.236 314 N HA 0.031 4.771 4.740 -0.000 0.000 0.196 314 N C 0.028 175.542 175.510 0.007 0.000 1.114 314 N CA 0.119 53.153 53.050 -0.026 0.000 0.859 314 N CB 0.036 38.546 38.487 0.038 0.000 0.982 314 N HN 0.172 nan 8.380 nan 0.000 0.493 315 I N 1.527 122.017 120.570 -0.133 0.000 2.362 315 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 315 I C -0.895 175.158 176.117 -0.108 0.000 0.994 315 I CA -0.851 60.439 61.300 -0.017 0.000 1.158 315 I CB 0.773 38.764 38.000 -0.015 0.000 1.315 315 I HN -0.162 nan 8.210 nan 0.000 0.451 316 Y N 4.245 124.553 120.300 0.014 0.000 2.587 316 Y HA 0.819 5.369 4.550 -0.000 0.000 0.337 316 Y C 0.220 176.147 175.900 0.045 0.000 1.065 316 Y CA -1.110 57.018 58.100 0.047 0.000 1.126 316 Y CB 1.841 40.331 38.460 0.049 0.000 1.279 316 Y HN 0.545 nan 8.280 nan 0.000 0.489 317 A N 1.906 124.885 122.820 0.266 0.000 2.488 317 A HA 0.863 5.183 4.320 -0.000 0.000 0.298 317 A C -1.243 176.447 177.584 0.175 0.000 1.044 317 A CA -0.574 51.563 52.037 0.166 0.000 0.693 317 A CB 0.954 20.030 19.000 0.127 0.000 1.272 317 A HN 0.772 nan 8.150 nan 0.000 0.402 318 I N -1.119 119.482 120.570 0.052 0.000 3.191 318 I HA 0.947 5.117 4.170 -0.000 0.000 0.313 318 I C 0.491 176.589 176.117 -0.031 0.000 1.193 318 I CA -0.304 60.962 61.300 -0.058 0.000 0.968 318 I CB 1.934 39.774 38.000 -0.267 0.000 1.262 318 I HN 2.025 nan 8.210 nan 0.000 0.456 319 G N 2.509 111.279 108.800 -0.049 0.000 2.512 319 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.240 319 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.240 319 G C -0.015 174.885 174.900 -0.001 0.000 1.246 319 G CA 0.600 45.682 45.100 -0.030 0.000 0.919 319 G HN 0.832 nan 8.290 nan 0.000 0.577 320 D N -0.393 120.008 120.400 0.001 0.000 2.351 320 D HA 0.064 4.704 4.640 -0.000 0.000 0.216 320 D C 2.298 178.617 176.300 0.031 0.000 0.968 320 D CA 1.081 55.088 54.000 0.011 0.000 0.899 320 D CB 0.100 40.912 40.800 0.019 0.000 0.907 320 D HN 0.353 nan 8.370 nan 0.000 0.514 321 V N 0.146 120.085 119.914 0.042 0.000 3.129 321 V HA -0.020 4.100 4.120 -0.000 0.000 0.259 321 V C 0.903 177.026 176.094 0.048 0.000 1.116 321 V CA 0.433 62.765 62.300 0.052 0.000 1.127 321 V CB 0.226 32.084 31.823 0.059 0.000 0.742 321 V HN 0.018 nan 8.190 nan 0.000 0.474 322 V N -2.302 117.644 119.914 0.054 0.000 3.284 322 V HA 0.918 5.038 4.120 -0.000 0.000 0.309 322 V C 0.334 176.441 176.094 0.021 0.000 1.190 322 V CA -0.731 61.608 62.300 0.065 0.000 1.038 322 V CB 1.015 32.926 31.823 0.146 0.000 1.198 322 V HN 0.102 nan 8.190 nan 0.000 0.465 323 A N -0.452 122.371 122.820 0.005 0.000 2.327 323 A HA 0.800 5.120 4.320 -0.000 0.000 0.255 323 A C 0.827 178.297 177.584 -0.191 0.000 1.099 323 A CA 0.442 52.438 52.037 -0.067 0.000 0.801 323 A CB -0.408 18.558 19.000 -0.057 0.000 1.062 323 A HN 2.939 nan 8.150 nan 0.000 0.496 324 G N -0.804 107.818 108.800 -0.297 0.000 2.603 324 G HA2 0.117 4.077 3.960 -0.000 0.000 0.686 324 G HA3 0.117 4.077 3.960 -0.000 0.000 0.686 324 G C -2.923 171.794 174.900 -0.305 0.000 1.286 324 G CA -0.413 44.344 45.100 -0.572 0.000 0.871 324 G HN 0.975 nan 8.290 nan 0.000 0.568 325 P HA 0.244 nan 4.420 nan 0.000 0.264 325 P C 0.216 177.449 177.300 -0.113 0.000 1.193 325 P CA 0.139 63.166 63.100 -0.122 0.000 0.763 325 P CB 0.368 32.021 31.700 -0.078 0.000 0.810 326 M N 4.104 123.661 119.600 -0.072 0.000 3.237 326 M HA 0.225 4.705 4.480 -0.000 0.000 0.266 326 M C -0.145 176.111 176.300 -0.073 0.000 1.456 326 M CA 0.346 55.611 55.300 -0.057 0.000 1.593 326 M CB -0.594 31.994 32.600 -0.020 0.000 1.129 326 M HN 0.217 nan 8.290 nan 0.000 0.547 327 L N -0.294 120.844 121.223 -0.143 0.000 2.354 327 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 327 L C 1.068 177.804 176.870 -0.223 0.000 1.008 327 L CA -0.600 54.102 54.840 -0.230 0.000 0.819 327 L CB 1.873 43.634 42.059 -0.498 0.000 1.339 327 L HN 0.520 nan 8.230 nan 0.000 0.420 328 A N 0.703 123.445 122.820 -0.130 0.000 1.877 328 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 328 A C 2.001 179.566 177.584 -0.032 0.000 1.186 328 A CA 1.705 53.722 52.037 -0.034 0.000 0.620 328 A CB -0.845 18.188 19.000 0.055 0.000 0.822 328 A HN 0.948 nan 8.150 nan 0.000 0.443 329 H N -0.887 118.178 119.070 -0.009 0.000 2.456 329 H HA -0.057 4.498 4.556 -0.000 0.000 0.296 329 H C 1.687 177.001 175.328 -0.023 0.000 1.079 329 H CA 1.437 57.472 56.048 -0.022 0.000 1.322 329 H CB -0.330 29.417 29.762 -0.025 0.000 1.388 329 H HN 0.440 nan 8.280 nan 0.000 0.538 330 K N 1.849 122.110 120.400 -0.231 0.000 2.103 330 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 330 K C 2.263 178.829 176.600 -0.057 0.000 1.052 330 K CA 1.052 57.283 56.287 -0.094 0.000 0.945 330 K CB -0.241 32.192 32.500 -0.111 0.000 0.722 330 K HN 0.301 nan 8.250 nan 0.000 0.443 331 A N 1.715 124.484 122.820 -0.085 0.000 1.873 331 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 331 A C 1.977 179.489 177.584 -0.120 0.000 1.186 331 A CA 1.535 53.518 52.037 -0.090 0.000 0.616 331 A CB -0.409 18.552 19.000 -0.065 0.000 0.823 331 A HN 0.504 nan 8.150 nan 0.000 0.442 332 E N -0.043 120.098 120.200 -0.099 0.000 2.031 332 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 332 E C 1.636 178.156 176.600 -0.134 0.000 0.994 332 E CA 1.346 57.667 56.400 -0.131 0.000 0.800 332 E CB -0.357 29.280 29.700 -0.104 0.000 0.752 332 E HN 0.544 nan 8.360 nan 0.000 0.447 333 D N 0.811 121.156 120.400 -0.092 0.000 2.116 333 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 333 D C 1.796 178.004 176.300 -0.153 0.000 0.998 333 D CA 1.168 55.113 54.000 -0.091 0.000 0.836 333 D CB -0.113 40.657 40.800 -0.050 0.000 0.951 333 D HN 0.231 nan 8.370 nan 0.000 0.449 334 E N -0.234 119.835 120.200 -0.218 0.000 2.110 334 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 334 E C 2.225 178.532 176.600 -0.489 0.000 0.988 334 E CA 0.987 57.093 56.400 -0.490 0.000 0.804 334 E CB -0.236 29.100 29.700 -0.606 0.000 0.745 334 E HN 0.331 nan 8.360 nan 0.000 0.458 335 G N 1.443 110.052 108.800 -0.318 0.000 2.421 335 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 335 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 335 G C 1.609 176.380 174.900 -0.215 0.000 1.171 335 G CA 0.588 45.531 45.100 -0.262 0.000 0.775 335 G HN 0.107 nan 8.290 nan 0.000 0.543 336 I N 1.556 122.022 120.570 -0.173 0.000 2.142 336 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 336 I C 2.776 178.838 176.117 -0.091 0.000 1.078 336 I CA 1.479 62.708 61.300 -0.118 0.000 1.343 336 I CB -0.289 37.656 38.000 -0.093 0.000 1.046 336 I HN 0.329 nan 8.210 nan 0.000 0.405 337 I N -1.476 119.042 120.570 -0.086 0.000 2.546 337 I HA -0.219 3.951 4.170 -0.000 0.000 0.255 337 I C 2.773 178.897 176.117 0.011 0.000 1.163 337 I CA 1.073 62.365 61.300 -0.013 0.000 1.457 337 I CB -0.761 37.264 38.000 0.042 0.000 1.092 337 I HN 0.348 nan 8.210 nan 0.000 0.434 338 C N 1.113 120.361 119.300 -0.087 0.000 2.453 338 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 338 C C 2.792 177.676 174.990 -0.176 0.000 1.262 338 C CA 0.934 59.913 59.018 -0.065 0.000 1.718 338 C CB -0.853 26.756 27.740 -0.218 0.000 2.031 338 C HN 0.480 nan 8.230 nan 0.000 0.480 339 V N 0.888 120.687 119.914 -0.192 0.000 2.515 339 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 339 V C 2.475 178.559 176.094 -0.017 0.000 1.058 339 V CA 2.355 64.548 62.300 -0.179 0.000 1.064 339 V CB -0.688 31.051 31.823 -0.140 0.000 0.675 339 V HN 0.621 nan 8.190 nan 0.000 0.461 340 E N -0.121 120.084 120.200 0.008 0.000 2.152 340 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 340 E C 2.274 178.918 176.600 0.073 0.000 0.983 340 E CA 0.999 57.432 56.400 0.055 0.000 0.818 340 E CB -0.358 29.363 29.700 0.035 0.000 0.758 340 E HN 0.657 nan 8.360 nan 0.000 0.467 341 G N 1.127 109.964 108.800 0.061 0.000 2.402 341 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 341 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 341 G C 1.546 176.506 174.900 0.100 0.000 1.162 341 G CA 0.407 45.564 45.100 0.095 0.000 0.777 341 G HN 0.094 nan 8.290 nan 0.000 0.539 342 M N 0.873 120.490 119.600 0.028 0.000 2.346 342 M HA 0.001 4.481 4.480 -0.000 0.000 0.263 342 M C 2.566 179.033 176.300 0.277 0.000 1.064 342 M CA 1.197 56.528 55.300 0.051 0.000 1.083 342 M CB -0.060 32.388 32.600 -0.255 0.000 1.399 342 M HN 0.308 nan 8.290 nan 0.000 0.435 343 A N -0.437 122.552 122.820 0.282 0.000 2.307 343 A HA 0.457 4.777 4.320 -0.000 0.000 0.218 343 A C 1.594 179.239 177.584 0.101 0.000 1.228 343 A CA 0.656 52.822 52.037 0.214 0.000 0.857 343 A CB -0.445 18.631 19.000 0.127 0.000 0.897 343 A HN 0.627 nan 8.150 nan 0.000 0.495 344 G N -1.764 107.100 108.800 0.107 0.000 2.176 344 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.232 344 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.232 344 G C 0.769 175.705 174.900 0.060 0.000 0.986 344 G CA 0.179 45.323 45.100 0.074 0.000 0.643 344 G HN 1.342 nan 8.290 nan 0.000 0.522 345 G N 0.120 108.958 108.800 0.063 0.000 2.634 345 G HA2 0.687 4.647 3.960 -0.000 0.000 0.255 345 G HA3 0.687 4.647 3.960 -0.000 0.000 0.255 345 G C 0.642 175.579 174.900 0.061 0.000 1.205 345 G CA 0.550 45.682 45.100 0.052 0.000 0.884 345 G HN 1.535 nan 8.290 nan 0.000 0.549 346 A N -1.026 121.826 122.820 0.054 0.000 2.351 346 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 346 A C -0.247 177.390 177.584 0.088 0.000 1.087 346 A CA -0.204 51.869 52.037 0.060 0.000 0.798 346 A CB 0.805 19.833 19.000 0.046 0.000 1.033 346 A HN 0.936 nan 8.150 nan 0.000 0.488 347 V N 3.931 123.911 119.914 0.109 0.000 2.443 347 V HA 0.469 4.589 4.120 -0.000 0.000 0.293 347 V C -0.365 175.845 176.094 0.195 0.000 1.021 347 V CA -0.275 62.117 62.300 0.154 0.000 0.848 347 V CB 1.037 32.968 31.823 0.181 0.000 0.998 347 V HN 1.004 nan 8.190 nan 0.000 0.424 348 H N 5.279 124.380 119.070 0.052 0.000 3.087 348 H HA 0.619 5.175 4.556 -0.000 0.000 0.348 348 H C -2.129 173.188 175.328 -0.018 0.000 1.092 348 H CA -0.486 55.564 56.048 0.003 0.000 1.285 348 H CB 2.398 32.149 29.762 -0.019 0.000 1.875 348 H HN 0.685 nan 8.280 nan 0.000 0.512 349 I N 3.987 124.200 120.570 -0.594 0.000 2.686 349 I HA 0.216 4.386 4.170 -0.000 0.000 0.295 349 I C -1.601 174.026 176.117 -0.816 0.000 1.114 349 I CA -0.623 60.295 61.300 -0.636 0.000 1.038 349 I CB 2.190 39.968 38.000 -0.371 0.000 1.238 349 I HN 0.569 nan 8.210 nan 0.000 0.420 350 D N 5.358 125.365 120.400 -0.656 0.000 2.453 350 D HA 0.239 4.879 4.640 -0.000 0.000 0.238 350 D C 0.038 176.137 176.300 -0.335 0.000 1.088 350 D CA -0.169 53.580 54.000 -0.419 0.000 0.854 350 D CB 0.745 41.416 40.800 -0.216 0.000 1.076 350 D HN 0.383 nan 8.370 nan 0.000 0.533 351 Y N 2.292 122.581 120.300 -0.018 0.000 2.483 351 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 351 Y C 2.094 178.002 175.900 0.014 0.000 1.143 351 Y CA 0.726 58.827 58.100 0.002 0.000 1.289 351 Y CB -0.515 37.956 38.460 0.018 0.000 0.983 351 Y HN 0.417 nan 8.280 nan 0.000 0.556 352 N N -0.682 118.083 118.700 0.107 0.000 2.381 352 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 352 N C 0.953 176.496 175.510 0.055 0.000 1.025 352 N CA 1.166 54.270 53.050 0.090 0.000 0.888 352 N CB -0.294 38.234 38.487 0.069 0.000 0.965 352 N HN 0.230 nan 8.380 nan 0.000 0.438 353 C N -0.167 119.141 119.300 0.014 0.000 2.791 353 C HA 0.348 4.808 4.460 -0.000 0.000 0.270 353 C C 0.755 175.742 174.990 -0.004 0.000 1.257 353 C CA -0.766 58.246 59.018 -0.010 0.000 1.699 353 C CB -1.245 26.466 27.740 -0.050 0.000 1.904 353 C HN 0.290 nan 8.230 nan 0.000 0.603 354 V N 3.105 123.042 119.914 0.038 0.000 2.406 354 V HA 0.497 4.617 4.120 -0.000 0.000 0.272 354 V C -2.265 173.846 176.094 0.029 0.000 1.043 354 V CA -1.612 60.730 62.300 0.070 0.000 0.915 354 V CB 1.043 32.946 31.823 0.133 0.000 0.988 354 V HN 0.131 nan 8.190 nan 0.000 0.466 355 P HA 0.355 nan 4.420 nan 0.000 0.274 355 P C -0.527 176.663 177.300 -0.184 0.000 1.246 355 P CA -0.195 62.809 63.100 -0.160 0.000 0.795 355 P CB 1.287 32.862 31.700 -0.208 0.000 1.006 356 S N -0.104 115.241 115.700 -0.592 0.000 2.500 356 S HA 0.564 5.034 4.470 -0.000 0.000 0.301 356 S C -0.524 173.607 174.600 -0.782 0.000 1.092 356 S CA -0.559 57.175 58.200 -0.776 0.000 1.030 356 S CB 1.250 63.506 63.200 -1.572 0.000 1.031 356 S HN 0.253 nan 8.310 nan 0.000 0.483 357 V N 3.626 123.239 119.914 -0.502 0.000 2.841 357 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 357 V C -0.918 174.930 176.094 -0.410 0.000 1.090 357 V CA -0.636 61.348 62.300 -0.527 0.000 0.930 357 V CB 1.927 33.343 31.823 -0.678 0.000 1.014 357 V HN 0.805 nan 8.190 nan 0.000 0.425 358 I N 3.568 123.917 120.570 -0.368 0.000 2.389 358 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 358 I C -0.759 175.227 176.117 -0.218 0.000 0.999 358 I CA -0.466 60.756 61.300 -0.131 0.000 1.129 358 I CB 1.709 39.694 38.000 -0.025 0.000 1.288 358 I HN 0.637 nan 8.210 nan 0.000 0.444 359 Y N 4.148 124.466 120.300 0.030 0.000 2.740 359 Y HA 0.057 4.607 4.550 -0.000 0.000 0.356 359 Y C 1.633 177.567 175.900 0.056 0.000 1.101 359 Y CA -0.533 57.577 58.100 0.016 0.000 1.477 359 Y CB -0.555 37.905 38.460 -0.001 0.000 1.296 359 Y HN 0.543 nan 8.280 nan 0.000 0.507 360 T N -2.943 111.731 114.554 0.200 0.000 2.801 360 T HA 0.146 4.496 4.350 -0.000 0.000 0.324 360 T C -0.552 174.260 174.700 0.187 0.000 1.088 360 T CA -0.467 61.785 62.100 0.253 0.000 0.975 360 T CB 0.791 69.908 68.868 0.416 0.000 1.316 360 T HN 0.379 nan 8.240 nan 0.000 0.533 361 H N 1.317 120.461 119.070 0.124 0.000 3.013 361 H HA 0.435 4.991 4.556 -0.000 0.000 0.326 361 H C -2.714 172.695 175.328 0.134 0.000 0.973 361 H CA -1.752 54.316 56.048 0.032 0.000 1.369 361 H CB 1.294 31.010 29.762 -0.078 0.000 1.598 361 H HN 0.451 nan 8.280 nan 0.000 0.518 362 P HA 0.040 nan 4.420 nan 0.000 0.272 362 P C -0.445 176.773 177.300 -0.136 0.000 1.223 362 P CA -0.175 62.732 63.100 -0.322 0.000 0.784 362 P CB 1.651 33.239 31.700 -0.187 0.000 0.923 363 E N -0.090 119.974 120.200 -0.226 0.000 2.369 363 E HA 0.379 4.729 4.350 -0.000 0.000 0.255 363 E C -0.489 175.959 176.600 -0.252 0.000 1.172 363 E CA -0.815 55.461 56.400 -0.207 0.000 0.932 363 E CB 0.686 30.244 29.700 -0.236 0.000 1.040 363 E HN 0.194 nan 8.360 nan 0.000 0.454 364 V N 0.173 119.910 119.914 -0.294 0.000 2.841 364 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 364 V C -0.771 175.259 176.094 -0.106 0.000 1.090 364 V CA -0.772 61.393 62.300 -0.224 0.000 0.930 364 V CB 1.644 33.221 31.823 -0.410 0.000 1.014 364 V HN 0.790 nan 8.190 nan 0.000 0.425 365 A N 3.445 126.299 122.820 0.056 0.000 2.589 365 A HA 0.993 5.313 4.320 -0.000 0.000 0.296 365 A C -1.800 175.905 177.584 0.202 0.000 1.062 365 A CA -0.585 51.427 52.037 -0.042 0.000 0.686 365 A CB 1.717 20.610 19.000 -0.180 0.000 1.282 365 A HN 1.778 nan 8.150 nan 0.000 0.404 366 W N -0.095 121.141 121.300 -0.107 0.000 3.059 366 W HA 0.732 5.392 4.660 -0.000 0.000 0.329 366 W C -2.075 174.354 176.519 -0.150 0.000 1.246 366 W CA -1.044 56.201 57.345 -0.167 0.000 1.190 366 W CB 0.988 30.379 29.460 -0.115 0.000 1.423 366 W HN 1.113 nan 8.180 nan 0.000 0.571 367 V N 2.630 122.535 119.914 -0.014 0.000 3.048 367 V HA 0.846 4.966 4.120 -0.000 0.000 0.303 367 V C 0.254 176.359 176.094 0.019 0.000 1.214 367 V CA 0.435 62.724 62.300 -0.019 0.000 0.984 367 V CB 1.342 33.127 31.823 -0.063 0.000 1.054 367 V HN 2.281 nan 8.190 nan 0.000 0.430 368 G N 5.049 113.894 108.800 0.075 0.000 2.568 368 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.222 368 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.222 368 G C -0.823 174.155 174.900 0.131 0.000 1.321 368 G CA -0.050 45.096 45.100 0.078 0.000 0.893 368 G HN 0.904 nan 8.290 nan 0.000 0.569 369 K N 0.673 121.141 120.400 0.114 0.000 2.098 369 K HA 0.607 4.927 4.320 -0.000 0.000 0.261 369 K C 0.906 177.633 176.600 0.212 0.000 0.987 369 K CA 0.187 56.546 56.287 0.119 0.000 0.916 369 K CB 1.514 34.031 32.500 0.028 0.000 1.039 369 K HN 1.056 nan 8.250 nan 0.000 0.455 370 S N -0.472 115.278 115.700 0.084 0.000 2.681 370 S HA 0.096 4.566 4.470 -0.000 0.000 0.270 370 S C 1.179 175.649 174.600 -0.216 0.000 1.209 370 S CA -0.507 57.619 58.200 -0.123 0.000 0.988 370 S CB 1.398 64.455 63.200 -0.238 0.000 1.006 370 S HN 0.699 nan 8.310 nan 0.000 0.558 371 E N 0.235 120.246 120.200 -0.316 0.000 2.150 371 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 371 E C 1.414 177.880 176.600 -0.224 0.000 0.985 371 E CA 1.161 57.367 56.400 -0.322 0.000 0.814 371 E CB -0.143 29.436 29.700 -0.202 0.000 0.752 371 E HN 0.740 nan 8.360 nan 0.000 0.466 372 E N 0.627 120.721 120.200 -0.176 0.000 2.077 372 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 372 E C 2.024 178.567 176.600 -0.094 0.000 0.989 372 E CA 1.252 57.582 56.400 -0.117 0.000 0.800 372 E CB -0.110 29.513 29.700 -0.129 0.000 0.746 372 E HN 0.344 nan 8.360 nan 0.000 0.452 373 Q N -0.106 119.632 119.800 -0.103 0.000 2.084 373 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 373 Q C 2.254 178.210 176.000 -0.073 0.000 0.978 373 Q CA 1.050 56.814 55.803 -0.064 0.000 0.844 373 Q CB -0.163 28.552 28.738 -0.038 0.000 0.898 373 Q HN 0.297 nan 8.270 nan 0.000 0.426 374 L N 0.459 121.590 121.223 -0.154 0.000 2.083 374 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 374 L C 2.256 179.104 176.870 -0.037 0.000 1.083 374 L CA 1.232 55.970 54.840 -0.169 0.000 0.752 374 L CB -0.292 41.459 42.059 -0.514 0.000 0.899 374 L HN 0.134 nan 8.230 nan 0.000 0.433 375 K N -0.145 120.247 120.400 -0.012 0.000 2.097 375 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 375 K C 2.036 178.661 176.600 0.041 0.000 1.050 375 K CA 1.317 57.652 56.287 0.081 0.000 0.938 375 K CB -0.055 32.494 32.500 0.082 0.000 0.718 375 K HN 0.088 nan 8.250 nan 0.000 0.442 376 E N 1.674 121.881 120.200 0.010 0.000 2.204 376 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 376 E C 1.031 177.641 176.600 0.018 0.000 0.990 376 E CA 1.434 57.840 56.400 0.010 0.000 0.821 376 E CB 0.101 29.801 29.700 -0.001 0.000 0.750 376 E HN 0.287 nan 8.360 nan 0.000 0.477 377 E N -1.081 119.130 120.200 0.018 0.000 2.478 377 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 377 E C 0.737 177.360 176.600 0.038 0.000 1.045 377 E CA 0.331 56.745 56.400 0.025 0.000 0.868 377 E CB 0.236 29.947 29.700 0.020 0.000 0.885 377 E HN 0.384 nan 8.360 nan 0.000 0.505 378 G N 1.894 110.725 108.800 0.052 0.000 2.198 378 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 378 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 378 G C 0.122 175.070 174.900 0.080 0.000 1.025 378 G CA -0.161 44.976 45.100 0.062 0.000 0.769 378 G HN 0.146 nan 8.290 nan 0.000 0.507 379 I N 0.513 121.148 120.570 0.109 0.000 2.416 379 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 379 I C 0.728 176.983 176.117 0.231 0.000 1.051 379 I CA -0.931 60.451 61.300 0.136 0.000 1.375 379 I CB 1.193 39.262 38.000 0.115 0.000 1.407 379 I HN 0.332 nan 8.210 nan 0.000 0.516 380 E N 7.739 128.027 120.200 0.147 0.000 2.180 380 E HA 0.273 4.623 4.350 -0.000 0.000 0.283 380 E C -1.230 175.464 176.600 0.156 0.000 1.061 380 E CA -0.097 56.359 56.400 0.094 0.000 0.861 380 E CB 0.313 30.030 29.700 0.029 0.000 1.056 380 E HN 0.379 nan 8.360 nan 0.000 0.407 381 Y N 1.442 121.747 120.300 0.007 0.000 2.634 381 Y HA 0.661 5.211 4.550 -0.000 0.000 0.340 381 Y C -0.801 175.102 175.900 0.006 0.000 1.058 381 Y CA -1.422 56.685 58.100 0.011 0.000 1.081 381 Y CB 1.212 39.682 38.460 0.017 0.000 1.295 381 Y HN 0.187 nan 8.280 nan 0.000 0.487 382 K N 1.212 121.695 120.400 0.139 0.000 2.267 382 K HA 0.768 5.088 4.320 -0.000 0.000 0.246 382 K C -1.625 175.073 176.600 0.163 0.000 0.954 382 K CA -1.181 55.138 56.287 0.053 0.000 0.824 382 K CB 2.765 35.289 32.500 0.041 0.000 1.167 382 K HN 0.531 nan 8.250 nan 0.000 0.431 383 V N 0.773 120.745 119.914 0.096 0.000 2.604 383 V HA 0.615 4.735 4.120 -0.000 0.000 0.305 383 V C -0.098 176.042 176.094 0.076 0.000 1.043 383 V CA -0.860 61.513 62.300 0.122 0.000 0.888 383 V CB 1.867 33.762 31.823 0.120 0.000 0.995 383 V HN 0.946 nan 8.190 nan 0.000 0.429 384 G N 3.231 112.076 108.800 0.074 0.000 2.609 384 G HA2 0.731 4.691 3.960 -0.000 0.000 0.308 384 G HA3 0.731 4.691 3.960 -0.000 0.000 0.308 384 G C -1.149 173.793 174.900 0.069 0.000 1.369 384 G CA -0.665 44.474 45.100 0.066 0.000 0.958 384 G HN 0.611 nan 8.290 nan 0.000 0.499 385 K N 0.810 121.263 120.400 0.088 0.000 2.375 385 K HA 0.629 4.949 4.320 -0.000 0.000 0.249 385 K C -1.939 174.714 176.600 0.088 0.000 0.942 385 K CA -0.798 55.526 56.287 0.061 0.000 0.806 385 K CB 2.970 35.485 32.500 0.025 0.000 1.227 385 K HN 0.387 nan 8.250 nan 0.000 0.430 386 F N 4.038 123.883 119.950 -0.176 0.000 2.585 386 F HA 0.349 4.876 4.527 -0.000 0.000 0.319 386 F C -2.617 172.936 175.800 -0.413 0.000 1.165 386 F CA -1.919 55.915 58.000 -0.277 0.000 0.949 386 F CB 1.789 40.658 39.000 -0.217 0.000 1.218 386 F HN 0.317 nan 8.300 nan 0.000 0.453 387 P HA 0.173 nan 4.420 nan 0.000 0.282 387 P C 0.348 177.337 177.300 -0.519 0.000 1.249 387 P CA -0.090 62.617 63.100 -0.655 0.000 0.806 387 P CB 1.022 32.286 31.700 -0.727 0.000 0.984 388 F N 1.567 121.441 119.950 -0.127 0.000 2.451 388 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 388 F C 2.526 178.300 175.800 -0.044 0.000 1.101 388 F CA 1.414 59.408 58.000 -0.011 0.000 1.436 388 F CB -1.046 37.964 39.000 0.016 0.000 1.074 388 F HN 0.355 nan 8.300 nan 0.000 0.553 389 A N -0.306 122.526 122.820 0.020 0.000 2.125 389 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 389 A C 2.168 179.741 177.584 -0.018 0.000 1.156 389 A CA 1.481 53.520 52.037 0.003 0.000 0.671 389 A CB -0.828 18.146 19.000 -0.042 0.000 0.794 389 A HN 0.249 nan 8.150 nan 0.000 0.459 390 A N -0.789 121.949 122.820 -0.137 0.000 2.390 390 A HA 0.190 4.510 4.320 -0.000 0.000 0.232 390 A C 0.722 178.441 177.584 0.226 0.000 1.233 390 A CA -0.258 51.744 52.037 -0.059 0.000 0.907 390 A CB -0.239 18.531 19.000 -0.384 0.000 0.967 390 A HN 0.491 nan 8.150 nan 0.000 0.512 391 N N 0.265 119.134 118.700 0.281 0.000 2.444 391 N HA 0.128 4.868 4.740 -0.000 0.000 0.271 391 N C 0.521 176.171 175.510 0.232 0.000 1.069 391 N CA 0.109 53.373 53.050 0.357 0.000 0.965 391 N CB 1.157 39.894 38.487 0.416 0.000 1.092 391 N HN 0.077 nan 8.380 nan 0.000 0.476 392 S N 3.423 119.238 115.700 0.192 0.000 2.359 392 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 392 S C 1.736 176.373 174.600 0.061 0.000 1.035 392 S CA 1.087 59.358 58.200 0.117 0.000 1.018 392 S CB -0.087 63.167 63.200 0.090 0.000 0.876 392 S HN 0.659 nan 8.310 nan 0.000 0.448 393 R N 0.809 121.335 120.500 0.042 0.000 2.075 393 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 393 R C 2.408 178.751 176.300 0.072 0.000 1.126 393 R CA 1.147 57.267 56.100 0.033 0.000 0.963 393 R CB -0.428 29.886 30.300 0.025 0.000 0.858 393 R HN 0.372 nan 8.270 nan 0.000 0.435 394 A N 1.046 123.942 122.820 0.126 0.000 1.877 394 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 394 A C 2.039 179.683 177.584 0.100 0.000 1.186 394 A CA 1.798 53.905 52.037 0.117 0.000 0.620 394 A CB -0.414 18.718 19.000 0.220 0.000 0.822 394 A HN 0.219 nan 8.150 nan 0.000 0.443 395 K N -0.468 119.999 120.400 0.112 0.000 2.097 395 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 395 K C 1.936 178.577 176.600 0.068 0.000 1.050 395 K CA 2.090 58.430 56.287 0.090 0.000 0.938 395 K CB -0.797 31.761 32.500 0.096 0.000 0.718 395 K HN 0.416 nan 8.250 nan 0.000 0.442 396 T N 1.113 115.703 114.554 0.061 0.000 2.821 396 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 396 T C 1.169 175.893 174.700 0.040 0.000 1.046 396 T CA 1.383 63.509 62.100 0.044 0.000 1.139 396 T CB -0.250 68.637 68.868 0.031 0.000 0.871 396 T HN 0.252 nan 8.240 nan 0.000 0.454 397 N N 1.025 119.754 118.700 0.048 0.000 2.467 397 N HA 0.231 4.971 4.740 -0.000 0.000 0.184 397 N C 0.968 176.514 175.510 0.061 0.000 1.106 397 N CA 0.647 53.728 53.050 0.052 0.000 0.892 397 N CB -0.127 38.397 38.487 0.062 0.000 0.969 397 N HN 0.417 nan 8.380 nan 0.000 0.454 398 A N 0.977 123.833 122.820 0.060 0.000 2.739 398 A HA -0.205 4.115 4.320 -0.000 0.000 0.296 398 A C -0.216 177.415 177.584 0.079 0.000 1.488 398 A CA 1.042 53.117 52.037 0.063 0.000 0.746 398 A CB -1.952 17.079 19.000 0.053 0.000 1.047 398 A HN 0.320 nan 8.150 nan 0.000 0.477 399 D N -0.254 120.193 120.400 0.079 0.000 2.364 399 D HA 0.448 5.088 4.640 -0.000 0.000 0.251 399 D C 0.723 177.046 176.300 0.038 0.000 1.282 399 D CA 0.516 54.568 54.000 0.086 0.000 0.927 399 D CB 0.313 41.181 40.800 0.115 0.000 1.267 399 D HN 0.594 nan 8.370 nan 0.000 0.531 400 T N -1.039 113.550 114.554 0.058 0.000 3.182 400 T HA 0.252 4.602 4.350 -0.000 0.000 0.277 400 T C 0.237 174.993 174.700 0.093 0.000 1.013 400 T CA -0.622 61.528 62.100 0.083 0.000 0.900 400 T CB 0.101 69.027 68.868 0.097 0.000 1.098 400 T HN 0.024 nan 8.240 nan 0.000 0.543 401 D N 1.911 122.338 120.400 0.045 0.000 2.362 401 D HA 0.490 5.130 4.640 -0.000 0.000 0.242 401 D C 1.237 177.615 176.300 0.130 0.000 1.132 401 D CA 1.252 55.292 54.000 0.068 0.000 0.907 401 D CB 0.884 41.713 40.800 0.048 0.000 1.195 401 D HN 0.588 nan 8.370 nan 0.000 0.429 402 G N -0.062 108.825 108.800 0.145 0.000 2.693 402 G HA2 0.007 3.967 3.960 -0.000 0.000 0.226 402 G HA3 0.007 3.967 3.960 -0.000 0.000 0.226 402 G C -0.376 174.670 174.900 0.244 0.000 1.354 402 G CA 0.229 45.451 45.100 0.203 0.000 0.873 402 G HN 0.765 nan 8.290 nan 0.000 0.562 403 M N -3.427 116.304 119.600 0.218 0.000 2.949 403 M HA 0.759 5.239 4.480 -0.000 0.000 0.270 403 M C -1.081 175.222 176.300 0.006 0.000 1.221 403 M CA -1.185 54.097 55.300 -0.029 0.000 0.818 403 M CB 1.774 34.323 32.600 -0.084 0.000 1.635 403 M HN 0.956 nan 8.290 nan 0.000 0.492 404 V N 1.493 121.342 119.914 -0.108 0.000 2.459 404 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 404 V C -0.746 175.383 176.094 0.059 0.000 1.029 404 V CA -0.455 61.865 62.300 0.034 0.000 0.874 404 V CB 1.762 33.600 31.823 0.025 0.000 0.985 404 V HN 0.755 nan 8.190 nan 0.000 0.438 405 K N 5.501 125.974 120.400 0.121 0.000 2.413 405 K HA 0.579 4.899 4.320 -0.000 0.000 0.257 405 K C -1.498 175.198 176.600 0.159 0.000 0.946 405 K CA -0.621 55.734 56.287 0.114 0.000 0.823 405 K CB 1.206 33.764 32.500 0.098 0.000 1.109 405 K HN 0.464 nan 8.250 nan 0.000 0.427 406 I N 5.768 126.398 120.570 0.099 0.000 2.404 406 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 406 I C -0.345 175.838 176.117 0.109 0.000 0.992 406 I CA -0.904 60.447 61.300 0.085 0.000 1.149 406 I CB 1.543 39.527 38.000 -0.028 0.000 1.315 406 I HN 0.604 nan 8.210 nan 0.000 0.446 407 L N 5.393 126.691 121.223 0.125 0.000 2.298 407 L HA 0.667 5.006 4.340 -0.000 0.000 0.284 407 L C 0.392 177.327 176.870 0.108 0.000 1.013 407 L CA -0.422 54.494 54.840 0.126 0.000 0.824 407 L CB 1.818 43.908 42.059 0.052 0.000 1.221 407 L HN 0.688 nan 8.230 nan 0.000 0.418 408 G N 1.795 110.676 108.800 0.135 0.000 2.482 408 G HA2 0.438 4.398 3.960 -0.000 0.000 0.317 408 G HA3 0.438 4.398 3.960 -0.000 0.000 0.317 408 G C -1.184 173.794 174.900 0.131 0.000 1.241 408 G CA -0.448 44.715 45.100 0.104 0.000 0.967 408 G HN 0.522 nan 8.290 nan 0.000 0.482 409 Q N 0.696 120.557 119.800 0.101 0.000 2.311 409 Q HA 0.145 4.485 4.340 -0.000 0.000 0.272 409 Q C 1.564 177.611 176.000 0.078 0.000 1.012 409 Q CA -0.117 55.746 55.803 0.101 0.000 0.891 409 Q CB 0.932 29.715 28.738 0.075 0.000 1.201 409 Q HN 0.641 nan 8.270 nan 0.000 0.391 410 K N 1.840 122.284 120.400 0.074 0.000 2.057 410 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 410 K C 1.740 178.356 176.600 0.028 0.000 1.049 410 K CA 1.782 58.090 56.287 0.036 0.000 0.931 410 K CB 0.002 32.509 32.500 0.011 0.000 0.714 410 K HN 0.783 nan 8.250 nan 0.000 0.440 411 S N -0.357 115.362 115.700 0.032 0.000 2.355 411 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 411 S C 1.964 176.581 174.600 0.027 0.000 1.031 411 S CA 1.626 59.842 58.200 0.026 0.000 0.993 411 S CB -0.597 62.619 63.200 0.027 0.000 0.859 411 S HN 0.504 nan 8.310 nan 0.000 0.453 412 T N -3.033 111.542 114.554 0.035 0.000 3.054 412 T HA 0.267 4.617 4.350 -0.000 0.000 0.255 412 T C 0.451 175.173 174.700 0.038 0.000 1.035 412 T CA 0.613 62.734 62.100 0.034 0.000 0.941 412 T CB -0.204 68.686 68.868 0.037 0.000 1.026 412 T HN 0.330 nan 8.240 nan 0.000 0.533 413 D N 0.944 121.368 120.400 0.041 0.000 3.077 413 D HA -0.204 4.436 4.640 -0.000 0.000 0.217 413 D C 0.203 176.530 176.300 0.046 0.000 1.162 413 D CA 0.703 54.729 54.000 0.042 0.000 0.943 413 D CB -1.370 39.453 40.800 0.037 0.000 1.122 413 D HN 0.714 nan 8.370 nan 0.000 0.413 414 R N -0.076 120.455 120.500 0.051 0.000 2.489 414 R HA 0.314 4.654 4.340 -0.000 0.000 0.287 414 R C -0.191 176.144 176.300 0.059 0.000 1.053 414 R CA -0.322 55.811 56.100 0.056 0.000 1.036 414 R CB 0.630 30.964 30.300 0.057 0.000 0.966 414 R HN -0.005 nan 8.270 nan 0.000 0.432 415 V N 7.579 127.529 119.914 0.061 0.000 2.485 415 V HA -0.032 4.088 4.120 -0.000 0.000 0.287 415 V C 1.202 177.336 176.094 0.066 0.000 1.022 415 V CA 0.397 62.734 62.300 0.062 0.000 1.067 415 V CB 0.830 32.697 31.823 0.073 0.000 0.967 415 V HN 0.828 nan 8.190 nan 0.000 0.479 416 L N 3.927 125.188 121.223 0.064 0.000 2.537 416 L HA 0.489 4.829 4.340 -0.000 0.000 0.224 416 L C 1.045 177.948 176.870 0.056 0.000 1.065 416 L CA 0.634 55.506 54.840 0.054 0.000 0.860 416 L CB 0.318 42.401 42.059 0.039 0.000 1.086 416 L HN 0.780 nan 8.230 nan 0.000 0.482 417 G N -0.024 108.817 108.800 0.069 0.000 2.759 417 G HA2 0.669 4.629 3.960 -0.000 0.000 0.297 417 G HA3 0.669 4.629 3.960 -0.000 0.000 0.297 417 G C -1.844 173.081 174.900 0.040 0.000 1.434 417 G CA -0.101 45.034 45.100 0.059 0.000 0.980 417 G HN -0.010 nan 8.290 nan 0.000 0.531 418 A N 2.309 125.059 122.820 -0.117 0.000 2.343 418 A HA 0.851 5.171 4.320 -0.000 0.000 0.308 418 A C -0.951 176.486 177.584 -0.246 0.000 1.092 418 A CA -0.712 51.331 52.037 0.010 0.000 0.751 418 A CB 1.091 20.222 19.000 0.218 0.000 1.203 418 A HN 0.748 nan 8.150 nan 0.000 0.452 419 H N 2.136 121.321 119.070 0.192 0.000 2.689 419 H HA 0.518 5.074 4.556 -0.000 0.000 0.346 419 H C -1.429 173.995 175.328 0.160 0.000 1.037 419 H CA -0.285 55.869 56.048 0.178 0.000 1.234 419 H CB 1.797 31.595 29.762 0.061 0.000 1.572 419 H HN 0.551 nan 8.280 nan 0.000 0.524 420 I N 3.778 124.498 120.570 0.249 0.000 2.466 420 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 420 I C -0.884 175.327 176.117 0.157 0.000 1.026 420 I CA -0.692 60.738 61.300 0.217 0.000 1.078 420 I CB 2.382 40.498 38.000 0.195 0.000 1.249 420 I HN 0.211 nan 8.210 nan 0.000 0.429 421 L N 6.680 128.013 121.223 0.183 0.000 2.342 421 L HA 0.993 5.333 4.340 -0.000 0.000 0.276 421 L C -0.101 176.866 176.870 0.162 0.000 0.997 421 L CA 0.363 55.255 54.840 0.085 0.000 0.838 421 L CB 0.904 43.007 42.059 0.073 0.000 1.224 421 L HN 0.805 nan 8.230 nan 0.000 0.416 422 G N 4.326 113.096 108.800 -0.050 0.000 2.356 422 G HA2 0.178 4.138 3.960 -0.000 0.000 0.288 422 G HA3 0.178 4.138 3.960 -0.000 0.000 0.288 422 G C -3.399 171.178 174.900 -0.539 0.000 1.302 422 G CA -0.619 44.280 45.100 -0.334 0.000 0.887 422 G HN 0.449 nan 8.290 nan 0.000 0.521 423 P HA 0.358 nan 4.420 nan 0.000 0.271 423 P C 1.033 178.088 177.300 -0.408 0.000 1.216 423 P CA 1.676 64.458 63.100 -0.531 0.000 0.776 423 P CB 0.992 32.424 31.700 -0.446 0.000 0.881 424 G N 2.521 111.192 108.800 -0.214 0.000 2.166 424 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 424 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 424 G C 1.133 175.974 174.900 -0.097 0.000 0.986 424 G CA 0.582 45.613 45.100 -0.115 0.000 0.683 424 G HN 0.710 nan 8.290 nan 0.000 0.527 425 A N 0.125 122.868 122.820 -0.128 0.000 1.892 425 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 425 A C 2.912 180.405 177.584 -0.151 0.000 1.188 425 A CA 2.455 54.437 52.037 -0.093 0.000 0.631 425 A CB -1.161 17.776 19.000 -0.105 0.000 0.822 425 A HN 1.678 nan 8.150 nan 0.000 0.447 426 G N -0.702 107.971 108.800 -0.212 0.000 2.469 426 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 426 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 426 G C 1.413 176.220 174.900 -0.156 0.000 1.150 426 G CA 1.166 46.116 45.100 -0.251 0.000 0.763 426 G HN 0.520 nan 8.290 nan 0.000 0.561 427 E N -0.305 119.833 120.200 -0.103 0.000 2.122 427 E HA 0.042 4.392 4.350 -0.000 0.000 0.190 427 E C 2.361 178.888 176.600 -0.121 0.000 0.977 427 E CA 0.283 56.632 56.400 -0.085 0.000 0.820 427 E CB -0.370 29.302 29.700 -0.046 0.000 0.770 427 E HN 0.501 nan 8.360 nan 0.000 0.462 428 M N 0.649 120.171 119.600 -0.130 0.000 2.159 428 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 428 M C 2.177 178.281 176.300 -0.327 0.000 1.063 428 M CA 0.969 56.149 55.300 -0.199 0.000 1.110 428 M CB 0.030 32.557 32.600 -0.121 0.000 1.374 428 M HN -0.038 nan 8.290 nan 0.000 0.411 429 V N 1.342 121.106 119.914 -0.249 0.000 2.867 429 V HA -0.230 3.890 4.120 -0.000 0.000 0.260 429 V C 1.598 177.554 176.094 -0.231 0.000 1.099 429 V CA 1.688 63.839 62.300 -0.249 0.000 1.122 429 V CB -0.866 30.834 31.823 -0.205 0.000 0.708 429 V HN 0.562 nan 8.190 nan 0.000 0.490 430 N N 0.025 118.599 118.700 -0.209 0.000 2.354 430 N HA -0.136 4.604 4.740 -0.000 0.000 0.179 430 N C 1.758 177.182 175.510 -0.143 0.000 1.021 430 N CA 1.315 54.269 53.050 -0.160 0.000 0.887 430 N CB -0.001 38.406 38.487 -0.133 0.000 0.974 430 N HN 0.716 nan 8.380 nan 0.000 0.437 431 E N 1.305 121.382 120.200 -0.204 0.000 2.107 431 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 431 E C 1.842 178.369 176.600 -0.120 0.000 0.982 431 E CA 0.756 57.061 56.400 -0.158 0.000 0.809 431 E CB 0.069 29.635 29.700 -0.225 0.000 0.756 431 E HN 0.242 nan 8.360 nan 0.000 0.459 432 A N 1.335 123.988 122.820 -0.278 0.000 1.902 432 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 432 A C 2.409 180.007 177.584 0.023 0.000 1.181 432 A CA 1.745 53.764 52.037 -0.030 0.000 0.623 432 A CB -0.760 18.195 19.000 -0.075 0.000 0.818 432 A HN 0.417 nan 8.150 nan 0.000 0.443 433 A N -0.510 122.279 122.820 -0.051 0.000 1.902 433 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 433 A C 2.127 179.693 177.584 -0.031 0.000 1.181 433 A CA 1.716 53.727 52.037 -0.044 0.000 0.623 433 A CB -0.603 18.349 19.000 -0.080 0.000 0.818 433 A HN 0.696 nan 8.150 nan 0.000 0.443 434 L N -0.148 121.065 121.223 -0.017 0.000 2.017 434 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 434 L C 2.670 179.590 176.870 0.084 0.000 1.073 434 L CA 2.241 57.083 54.840 0.003 0.000 0.745 434 L CB -0.900 41.195 42.059 0.060 0.000 0.894 434 L HN 0.347 nan 8.230 nan 0.000 0.432 435 A N -0.573 122.337 122.820 0.151 0.000 1.865 435 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 435 A C 2.198 179.874 177.584 0.152 0.000 1.191 435 A CA 2.179 54.340 52.037 0.208 0.000 0.623 435 A CB -1.074 18.065 19.000 0.232 0.000 0.826 435 A HN 0.436 nan 8.150 nan 0.000 0.444 436 L N 0.058 121.337 121.223 0.093 0.000 2.079 436 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 436 L C 2.478 179.355 176.870 0.012 0.000 1.081 436 L CA 1.888 56.762 54.840 0.056 0.000 0.752 436 L CB -0.660 41.421 42.059 0.036 0.000 0.896 436 L HN 0.393 nan 8.230 nan 0.000 0.433 437 E N -1.352 118.808 120.200 -0.067 0.000 2.153 437 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 437 E C 1.968 178.447 176.600 -0.201 0.000 0.988 437 E CA 1.266 57.558 56.400 -0.180 0.000 0.811 437 E CB -0.216 29.285 29.700 -0.331 0.000 0.746 437 E HN 0.533 nan 8.360 nan 0.000 0.466 438 Y N -0.140 120.180 120.300 0.032 0.000 2.511 438 Y HA 0.201 4.751 4.550 -0.000 0.000 0.279 438 Y C 1.618 177.538 175.900 0.034 0.000 1.157 438 Y CA 0.486 58.604 58.100 0.031 0.000 1.300 438 Y CB 0.258 38.736 38.460 0.031 0.000 1.052 438 Y HN 0.111 nan 8.280 nan 0.000 0.529 439 G N 0.453 109.348 108.800 0.159 0.000 2.198 439 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 439 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 439 G C 0.433 175.406 174.900 0.121 0.000 1.025 439 G CA 0.035 45.205 45.100 0.117 0.000 0.769 439 G HN 0.635 nan 8.290 nan 0.000 0.507 440 A N -0.099 122.812 122.820 0.151 0.000 2.466 440 A HA 0.681 5.001 4.320 -0.000 0.000 0.238 440 A C 1.128 178.763 177.584 0.085 0.000 1.074 440 A CA 0.961 53.071 52.037 0.120 0.000 0.774 440 A CB 0.327 19.417 19.000 0.150 0.000 1.015 440 A HN 2.053 nan 8.150 nan 0.000 0.498 441 S N 0.276 116.012 115.700 0.060 0.000 2.693 441 S HA 0.265 4.735 4.470 -0.000 0.000 0.276 441 S C 1.065 175.681 174.600 0.027 0.000 1.192 441 S CA -0.146 58.081 58.200 0.044 0.000 0.994 441 S CB 0.732 63.953 63.200 0.036 0.000 1.012 441 S HN 0.712 nan 8.310 nan 0.000 0.550 442 C N 0.569 119.876 119.300 0.012 0.000 2.429 442 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 442 C C 2.716 177.691 174.990 -0.025 0.000 1.262 442 C CA 1.110 60.113 59.018 -0.025 0.000 1.733 442 C CB -1.591 26.140 27.740 -0.015 0.000 2.010 442 C HN 1.095 nan 8.230 nan 0.000 0.483 443 E N 1.054 121.257 120.200 0.004 0.000 2.077 443 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 443 E C 1.467 178.068 176.600 0.002 0.000 0.989 443 E CA 1.467 57.871 56.400 0.006 0.000 0.800 443 E CB -0.136 29.577 29.700 0.022 0.000 0.746 443 E HN 0.528 nan 8.360 nan 0.000 0.452 444 D N 0.586 120.995 120.400 0.014 0.000 2.106 444 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 444 D C 2.047 178.370 176.300 0.038 0.000 0.997 444 D CA 1.340 55.353 54.000 0.022 0.000 0.834 444 D CB -0.293 40.527 40.800 0.033 0.000 0.956 444 D HN 0.336 nan 8.370 nan 0.000 0.448 445 I N 1.069 121.662 120.570 0.039 0.000 2.226 445 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 445 I C 2.516 178.656 176.117 0.040 0.000 1.100 445 I CA 0.993 62.337 61.300 0.074 0.000 1.374 445 I CB -0.290 37.701 38.000 -0.016 0.000 1.057 445 I HN -0.082 nan 8.210 nan 0.000 0.413 446 A N 0.871 123.662 122.820 -0.049 0.000 1.986 446 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 446 A C 2.317 179.883 177.584 -0.029 0.000 1.171 446 A CA 1.609 53.598 52.037 -0.080 0.000 0.640 446 A CB -0.549 18.402 19.000 -0.081 0.000 0.811 446 A HN 0.386 nan 8.150 nan 0.000 0.451 447 R N -0.987 119.515 120.500 0.004 0.000 2.317 447 R HA 0.178 4.518 4.340 -0.000 0.000 0.208 447 R C -0.324 176.003 176.300 0.044 0.000 0.914 447 R CA -0.142 55.964 56.100 0.009 0.000 1.060 447 R CB 0.107 30.404 30.300 -0.005 0.000 1.015 447 R HN 0.305 nan 8.270 nan 0.000 0.498 448 V N 1.320 121.295 119.914 0.101 0.000 2.555 448 V HA -0.032 4.088 4.120 -0.000 0.000 0.286 448 V C 0.480 176.675 176.094 0.169 0.000 1.044 448 V CA -0.636 61.722 62.300 0.097 0.000 1.026 448 V CB 1.282 33.158 31.823 0.090 0.000 0.981 448 V HN 0.305 nan 8.190 nan 0.000 0.480 449 C N 7.297 126.637 119.300 0.067 0.000 2.619 449 C HA 0.309 4.769 4.460 -0.000 0.000 0.389 449 C C 0.426 175.456 174.990 0.067 0.000 1.314 449 C CA -0.427 58.642 59.018 0.087 0.000 1.678 449 C CB -1.768 25.991 27.740 0.032 0.000 2.398 449 C HN 0.888 nan 8.230 nan 0.000 0.582 450 H N 3.383 122.471 119.070 0.029 0.000 2.487 450 H HA 0.521 5.077 4.556 -0.000 0.000 0.333 450 H C 0.619 175.983 175.328 0.059 0.000 1.114 450 H CA 0.551 56.627 56.048 0.047 0.000 1.310 450 H CB 1.152 30.948 29.762 0.055 0.000 1.462 450 H HN 0.880 nan 8.280 nan 0.000 0.516 451 A N 2.226 125.128 122.820 0.138 0.000 2.498 451 A HA 0.149 4.469 4.320 -0.000 0.000 0.239 451 A C -0.394 177.282 177.584 0.153 0.000 1.068 451 A CA 0.199 52.305 52.037 0.116 0.000 0.766 451 A CB -0.321 18.719 19.000 0.067 0.000 1.003 451 A HN 0.869 nan 8.150 nan 0.000 0.497 452 H N 2.277 121.381 119.070 0.057 0.000 2.489 452 H HA 0.629 5.185 4.556 -0.000 0.000 0.343 452 H C -2.394 172.963 175.328 0.048 0.000 1.086 452 H CA -1.491 54.589 56.048 0.054 0.000 1.198 452 H CB 1.388 31.176 29.762 0.042 0.000 1.490 452 H HN 0.564 nan 8.280 nan 0.000 0.504 453 P HA 0.278 nan 4.420 nan 0.000 0.301 453 P C -1.299 175.894 177.300 -0.179 0.000 1.338 453 P CA -0.621 62.109 63.100 -0.617 0.000 0.834 453 P CB 1.697 33.029 31.700 -0.614 0.000 0.967 454 T N -1.010 113.504 114.554 -0.068 0.000 2.896 454 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 454 T C 1.188 175.944 174.700 0.093 0.000 1.108 454 T CA -0.920 61.198 62.100 0.030 0.000 1.004 454 T CB 0.982 69.892 68.868 0.069 0.000 1.159 454 T HN 0.107 nan 8.240 nan 0.000 0.499 455 L N 1.375 122.676 121.223 0.131 0.000 2.201 455 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 455 L C 3.043 180.071 176.870 0.264 0.000 1.105 455 L CA 1.500 56.488 54.840 0.247 0.000 0.775 455 L CB -0.641 41.535 42.059 0.194 0.000 0.913 455 L HN 0.955 nan 8.230 nan 0.000 0.440 456 S N -0.432 115.383 115.700 0.193 0.000 2.442 456 S HA -0.210 4.260 4.470 -0.000 0.000 0.236 456 S C 1.634 176.324 174.600 0.151 0.000 1.007 456 S CA 1.131 59.466 58.200 0.224 0.000 0.965 456 S CB -0.332 63.040 63.200 0.286 0.000 0.773 456 S HN 0.510 nan 8.310 nan 0.000 0.504 457 E N 1.372 121.613 120.200 0.068 0.000 2.204 457 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 457 E C 2.340 178.773 176.600 -0.278 0.000 0.990 457 E CA 0.903 57.238 56.400 -0.109 0.000 0.821 457 E CB -0.390 29.300 29.700 -0.017 0.000 0.750 457 E HN 0.779 nan 8.360 nan 0.000 0.477 458 A N 0.859 123.582 122.820 -0.162 0.000 1.930 458 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 458 A C 1.906 179.335 177.584 -0.258 0.000 1.175 458 A CA 0.866 52.709 52.037 -0.322 0.000 0.627 458 A CB -0.554 18.253 19.000 -0.322 0.000 0.815 458 A HN 0.325 nan 8.150 nan 0.000 0.443 459 F N 0.595 120.411 119.950 -0.223 0.000 2.113 459 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 459 F C 2.335 177.993 175.800 -0.237 0.000 1.103 459 F CA 1.871 59.780 58.000 -0.151 0.000 1.248 459 F CB -0.320 38.653 39.000 -0.045 0.000 0.999 459 F HN 0.208 nan 8.300 nan 0.000 0.475 460 R N 0.425 120.687 120.500 -0.398 0.000 2.083 460 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 460 R C 2.182 178.200 176.300 -0.471 0.000 1.137 460 R CA 1.899 57.647 56.100 -0.587 0.000 0.951 460 R CB -0.445 29.340 30.300 -0.859 0.000 0.851 460 R HN 0.313 nan 8.270 nan 0.000 0.434 461 E N -0.029 119.848 120.200 -0.538 0.000 2.150 461 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 461 E C 1.835 178.246 176.600 -0.315 0.000 0.985 461 E CA 1.124 57.193 56.400 -0.551 0.000 0.814 461 E CB -0.046 28.913 29.700 -1.234 0.000 0.752 461 E HN 0.473 nan 8.360 nan 0.000 0.466 462 A N 1.736 124.390 122.820 -0.278 0.000 1.930 462 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 462 A C 1.943 179.439 177.584 -0.147 0.000 1.175 462 A CA 1.033 53.011 52.037 -0.100 0.000 0.627 462 A CB -0.354 18.601 19.000 -0.076 0.000 0.815 462 A HN 0.148 nan 8.150 nan 0.000 0.443 463 N N -0.259 118.265 118.700 -0.294 0.000 2.188 463 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 463 N C 1.697 177.134 175.510 -0.122 0.000 1.018 463 N CA 1.534 54.433 53.050 -0.251 0.000 0.858 463 N CB -0.319 37.934 38.487 -0.390 0.000 0.989 463 N HN 0.429 nan 8.380 nan 0.000 0.426 464 L N 1.512 122.660 121.223 -0.125 0.000 1.994 464 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 464 L C 2.254 179.162 176.870 0.064 0.000 1.071 464 L CA 1.722 56.538 54.840 -0.040 0.000 0.745 464 L CB -0.992 41.016 42.059 -0.084 0.000 0.892 464 L HN 0.078 nan 8.230 nan 0.000 0.431 465 A N -0.298 122.559 122.820 0.061 0.000 1.892 465 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 465 A C 2.462 180.095 177.584 0.082 0.000 1.188 465 A CA 2.328 54.434 52.037 0.115 0.000 0.631 465 A CB -1.361 17.721 19.000 0.137 0.000 0.822 465 A HN 0.628 nan 8.150 nan 0.000 0.447 466 A N -1.160 121.687 122.820 0.044 0.000 1.933 466 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 466 A C 2.487 180.097 177.584 0.043 0.000 1.175 466 A CA 2.249 54.309 52.037 0.038 0.000 0.628 466 A CB -0.875 18.138 19.000 0.021 0.000 0.814 466 A HN 0.576 nan 8.150 nan 0.000 0.444 467 S N -1.840 113.892 115.700 0.054 0.000 2.335 467 S HA -0.075 4.395 4.470 -0.000 0.000 0.217 467 S C 1.645 176.315 174.600 0.116 0.000 1.032 467 S CA 1.508 59.753 58.200 0.075 0.000 0.985 467 S CB -0.377 62.866 63.200 0.071 0.000 0.896 467 S HN 0.605 nan 8.310 nan 0.000 0.445 468 F N 0.670 120.612 119.950 -0.013 0.000 2.698 468 F HA 0.367 4.894 4.527 -0.000 0.000 0.295 468 F C 1.479 177.277 175.800 -0.004 0.000 1.124 468 F CA 1.080 59.074 58.000 -0.010 0.000 1.426 468 F CB 0.346 39.338 39.000 -0.013 0.000 1.120 468 F HN 0.429 nan 8.300 nan 0.000 0.583 469 G N 0.968 109.767 108.800 -0.000 0.000 2.254 469 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 469 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 469 G C 0.257 175.177 174.900 0.034 0.000 1.003 469 G CA 0.063 45.120 45.100 -0.071 0.000 0.622 469 G HN 0.387 nan 8.290 nan 0.000 0.507 470 K N 0.283 120.800 120.400 0.195 0.000 2.502 470 K HA 0.658 4.978 4.320 -0.000 0.000 0.257 470 K C -0.431 176.329 176.600 0.268 0.000 0.938 470 K CA -0.395 56.030 56.287 0.230 0.000 0.819 470 K CB 2.270 34.916 32.500 0.244 0.000 1.333 470 K HN 0.122 nan 8.250 nan 0.000 0.434 471 S N 1.110 116.945 115.700 0.224 0.000 2.681 471 S HA 0.316 4.786 4.470 -0.000 0.000 0.270 471 S C 1.236 175.934 174.600 0.163 0.000 1.209 471 S CA -0.622 57.697 58.200 0.198 0.000 0.988 471 S CB 0.433 63.872 63.200 0.398 0.000 1.006 471 S HN 0.475 nan 8.310 nan 0.000 0.558 472 I N 1.865 122.498 120.570 0.105 0.000 2.429 472 I HA 0.029 4.199 4.170 -0.000 0.000 0.247 472 I C 1.417 177.630 176.117 0.159 0.000 1.099 472 I CA 1.033 62.382 61.300 0.082 0.000 1.422 472 I CB -1.066 36.941 38.000 0.011 0.000 1.112 472 I HN 0.570 nan 8.210 nan 0.000 0.430 473 N N -0.104 118.762 118.700 0.277 0.000 2.370 473 N HA 0.056 4.796 4.740 -0.000 0.000 0.198 473 N C -0.168 175.607 175.510 0.441 0.000 1.156 473 N CA 0.208 53.475 53.050 0.362 0.000 0.839 473 N CB 0.690 39.429 38.487 0.420 0.000 0.989 473 N HN 0.164 nan 8.380 nan 0.000 0.468 474 F N 0.000 120.071 119.950 0.201 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 58.017 58.000 0.029 0.000 1.383 474 F CB 0.000 38.886 39.000 -0.191 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574