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 3puk_1_B DATA FIRST_RESID 7 DATA SEQUENCE ERGLKSVVWR KIKTAVFDDC RKEGEWKIML LDEFTTKLLS SCCKMTDLLE DATA SEQUENCE EGITVIENIY KNREPVRQMK ALYFISPTPK SVDCFLRDFG SKSEKKYKAA DATA SEQUENCE YIYFTDFCPD SLFNKIKASC SKSIRRCKEI NISFIPQESQ VYTLDVPDAF DATA SEQUENCE YYCYSPDPSN ASRKEVVMEA MAEQIVTVCA TLDENPGVRY KSKPLDNASK DATA SEQUENCE LAQLVEKKLE DYYKIDEKGL IKGKTQSQLL IIDRGFDPVS TVLHELTFQA DATA SEQUENCE MAYDLLPIEN DTYKYKTXXX XKEAVLEEDD DLWVRVRHRH IAVVLEEIXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXA LTQLMKKMPH FRKQISKQVV HLNLAEDCMN DATA SEQUENCE KFKLNIEKLC KTEQDLALGT DAEGQRVKDS MLVLLPVLLN KNHDNCDKIR DATA SEQUENCE AVLLYIFGIN GTTEENLDRL IHNVKIEDDS DMIRNWSHLG VPIVPPSQQA DATA SEQUENCE KPLRKDRSAE ETFQLSRWTP FIKDIMEDAI DNRLDSKEWP YCSRCXXXXX DATA SEQUENCE GSGAVSAXXX XRTNYLELDR KNGSRLIIFV IGGITYSEMR CAYEVSQAHK DATA SEQUENCE SCEVIIGSTH ILTPRKLLDD IKMLNKSKD 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.639 176.600 0.065 0.000 1.382 7 E CA 0.000 56.434 56.400 0.057 0.000 0.976 7 E CB 0.000 29.738 29.700 0.063 0.000 0.812 8 R N 0.307 120.840 120.500 0.056 0.000 2.767 8 R HA 0.355 4.695 4.340 -0.000 0.000 0.377 8 R C 0.774 177.113 176.300 0.065 0.000 1.151 8 R CA 0.249 56.384 56.100 0.058 0.000 1.046 8 R CB 1.025 31.347 30.300 0.038 0.000 1.404 8 R HN 0.794 nan 8.270 nan 0.000 0.580 9 G N 0.578 109.427 108.800 0.082 0.000 2.491 9 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.238 9 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.238 9 G C 0.874 175.849 174.900 0.126 0.000 1.277 9 G CA -0.500 44.659 45.100 0.098 0.000 0.851 9 G HN 0.197 nan 8.290 nan 0.000 0.573 10 L N 0.954 122.263 121.223 0.143 0.000 2.127 10 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 10 L C 2.788 179.794 176.870 0.226 0.000 1.089 10 L CA 2.210 57.165 54.840 0.191 0.000 0.757 10 L CB -0.305 41.891 42.059 0.228 0.000 0.899 10 L HN 0.817 nan 8.230 nan 0.000 0.434 11 K N -2.655 117.865 120.400 0.201 0.000 2.418 11 K HA 0.038 4.358 4.320 -0.000 0.000 0.195 11 K C 2.040 178.764 176.600 0.206 0.000 1.035 11 K CA 0.923 57.325 56.287 0.191 0.000 1.003 11 K CB -0.156 32.437 32.500 0.155 0.000 0.793 11 K HN 0.173 nan 8.250 nan 0.000 0.494 12 S N 0.787 116.601 115.700 0.190 0.000 2.388 12 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 12 S C 1.941 176.678 174.600 0.229 0.000 1.034 12 S CA 0.448 58.778 58.200 0.217 0.000 0.963 12 S CB -0.183 63.111 63.200 0.157 0.000 0.827 12 S HN 0.186 nan 8.310 nan 0.000 0.481 13 V N 1.740 121.761 119.914 0.179 0.000 2.233 13 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 13 V C 2.488 178.676 176.094 0.156 0.000 1.050 13 V CA 2.041 64.432 62.300 0.151 0.000 1.010 13 V CB -0.792 31.118 31.823 0.145 0.000 0.637 13 V HN 0.406 nan 8.190 nan 0.000 0.444 14 V N -0.534 119.494 119.914 0.191 0.000 2.282 14 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 14 V C 2.109 178.296 176.094 0.156 0.000 1.057 14 V CA 2.602 64.990 62.300 0.147 0.000 1.032 14 V CB -0.760 31.123 31.823 0.100 0.000 0.645 14 V HN 0.821 nan 8.190 nan 0.000 0.447 15 W N 1.042 122.366 121.300 0.040 0.000 2.335 15 W HA -0.256 4.404 4.660 0.000 0.000 0.311 15 W C 2.601 179.141 176.519 0.035 0.000 1.213 15 W CA 1.830 59.201 57.345 0.044 0.000 1.274 15 W CB -0.206 29.287 29.460 0.055 0.000 1.148 15 W HN 0.154 nan 8.180 nan 0.000 0.498 16 R N 0.349 120.811 120.500 -0.063 0.000 2.152 16 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 16 R C 2.323 178.499 176.300 -0.207 0.000 1.117 16 R CA 1.812 57.803 56.100 -0.182 0.000 0.981 16 R CB -0.328 29.964 30.300 -0.014 0.000 0.870 16 R HN 0.142 nan 8.270 nan 0.000 0.451 17 K N 0.378 120.694 120.400 -0.141 0.000 2.067 17 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 17 K C 1.814 178.260 176.600 -0.256 0.000 1.048 17 K CA 0.756 56.963 56.287 -0.135 0.000 0.954 17 K CB 0.176 32.651 32.500 -0.041 0.000 0.737 17 K HN -0.026 nan 8.250 nan 0.000 0.444 18 I N 2.310 122.691 120.570 -0.316 0.000 2.163 18 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 18 I C 2.444 178.139 176.117 -0.703 0.000 1.085 18 I CA 1.588 62.569 61.300 -0.531 0.000 1.347 18 I CB -1.077 36.675 38.000 -0.413 0.000 1.044 18 I HN 0.338 nan 8.210 nan 0.000 0.408 19 K N 0.883 120.879 120.400 -0.673 0.000 2.057 19 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 19 K C 2.116 178.516 176.600 -0.334 0.000 1.049 19 K CA 2.344 58.332 56.287 -0.498 0.000 0.931 19 K CB -0.015 32.034 32.500 -0.751 0.000 0.714 19 K HN 0.509 nan 8.250 nan 0.000 0.440 20 T N -2.209 112.162 114.554 -0.306 0.000 2.937 20 T HA 0.152 4.502 4.350 -0.000 0.000 0.260 20 T C 2.027 176.613 174.700 -0.190 0.000 1.051 20 T CA 0.577 62.557 62.100 -0.200 0.000 1.141 20 T CB -0.062 68.721 68.868 -0.142 0.000 0.879 20 T HN 0.223 nan 8.240 nan 0.000 0.459 21 A N 0.607 123.286 122.820 -0.235 0.000 1.970 21 A HA 0.370 4.690 4.320 -0.000 0.000 0.216 21 A C 2.307 179.739 177.584 -0.254 0.000 1.170 21 A CA 1.001 52.930 52.037 -0.180 0.000 0.645 21 A CB -0.404 18.506 19.000 -0.150 0.000 0.816 21 A HN 0.395 nan 8.150 nan 0.000 0.447 22 V N -2.039 117.527 119.914 -0.580 0.000 2.868 22 V HA 0.071 4.191 4.120 -0.000 0.000 0.227 22 V C 2.043 177.616 176.094 -0.869 0.000 1.136 22 V CA 0.830 62.486 62.300 -1.072 0.000 1.206 22 V CB -1.163 29.697 31.823 -1.605 0.000 0.997 22 V HN 0.516 nan 8.190 nan 0.000 0.505 23 F N 1.206 120.824 119.950 -0.554 0.000 2.095 23 F HA -0.197 4.330 4.527 0.000 0.000 0.298 23 F C 2.351 177.959 175.800 -0.320 0.000 1.104 23 F CA 1.687 59.432 58.000 -0.424 0.000 1.232 23 F CB -0.372 38.408 39.000 -0.366 0.000 0.987 23 F HN 0.209 nan 8.300 nan 0.000 0.475 24 D N -0.208 120.130 120.400 -0.104 0.000 2.224 24 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 24 D C 1.564 177.810 176.300 -0.090 0.000 0.965 24 D CA 1.106 55.044 54.000 -0.102 0.000 0.852 24 D CB -0.556 40.181 40.800 -0.105 0.000 0.947 24 D HN 0.279 nan 8.370 nan 0.000 0.494 25 D N -0.769 119.575 120.400 -0.094 0.000 2.269 25 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 25 D C 1.301 177.632 176.300 0.051 0.000 0.963 25 D CA 0.821 54.821 54.000 0.001 0.000 0.864 25 D CB 0.217 41.067 40.800 0.083 0.000 0.936 25 D HN 0.323 nan 8.370 nan 0.000 0.505 26 C N -1.025 118.256 119.300 -0.032 0.000 3.386 26 C HA 0.517 4.977 4.460 -0.000 0.000 0.279 26 C C 0.721 175.581 174.990 -0.216 0.000 1.508 26 C CA -0.984 57.969 59.018 -0.108 0.000 1.801 26 C CB -1.498 26.102 27.740 -0.235 0.000 2.798 26 C HN -0.072 nan 8.230 nan 0.000 0.605 27 R N 2.825 123.228 120.500 -0.161 0.000 2.351 27 R HA 0.288 4.628 4.340 -0.000 0.000 0.318 27 R C -0.169 176.026 176.300 -0.174 0.000 1.055 27 R CA 0.659 56.644 56.100 -0.192 0.000 0.968 27 R CB 0.065 30.263 30.300 -0.170 0.000 0.974 27 R HN 0.576 nan 8.270 nan 0.000 0.439 28 K N 3.599 123.875 120.400 -0.206 0.000 2.316 28 K HA 0.040 4.360 4.320 -0.000 0.000 0.267 28 K C 0.321 176.786 176.600 -0.225 0.000 1.025 28 K CA -0.468 55.722 56.287 -0.162 0.000 0.896 28 K CB 1.313 33.746 32.500 -0.112 0.000 1.124 28 K HN 0.630 nan 8.250 nan 0.000 0.451 29 E N 3.031 123.118 120.200 -0.188 0.000 2.113 29 E HA -0.217 4.133 4.350 -0.000 0.000 0.210 29 E C 1.397 177.823 176.600 -0.290 0.000 1.040 29 E CA 2.432 58.699 56.400 -0.221 0.000 0.847 29 E CB -0.235 29.390 29.700 -0.124 0.000 0.755 29 E HN 0.873 nan 8.360 nan 0.000 0.459 30 G N -0.266 108.433 108.800 -0.169 0.000 2.650 30 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 30 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 30 G C 0.170 175.058 174.900 -0.019 0.000 1.136 30 G CA 0.640 45.700 45.100 -0.067 0.000 0.789 30 G HN 0.466 nan 8.290 nan 0.000 0.536 31 E N -1.323 118.769 120.200 -0.180 0.000 2.392 31 E HA 0.446 4.796 4.350 -0.000 0.000 0.269 31 E C -1.165 175.341 176.600 -0.157 0.000 0.924 31 E CA -1.324 55.111 56.400 0.059 0.000 0.784 31 E CB 1.426 31.178 29.700 0.088 0.000 1.292 31 E HN 0.140 nan 8.360 nan 0.000 0.447 32 W N 0.480 121.761 121.300 -0.031 0.000 2.671 32 W HA 0.472 5.132 4.660 0.000 0.000 0.360 32 W C -0.054 176.440 176.519 -0.043 0.000 1.128 32 W CA -0.803 56.515 57.345 -0.044 0.000 1.184 32 W CB 2.386 31.823 29.460 -0.038 0.000 1.415 32 W HN 0.428 nan 8.180 nan 0.000 0.604 33 K N 0.845 121.333 120.400 0.147 0.000 2.466 33 K HA 0.572 4.892 4.320 -0.000 0.000 0.260 33 K C -0.980 175.646 176.600 0.042 0.000 1.011 33 K CA -0.993 55.323 56.287 0.048 0.000 0.871 33 K CB 2.564 35.025 32.500 -0.064 0.000 1.404 33 K HN 0.275 nan 8.250 nan 0.000 0.450 34 I N 2.220 122.782 120.570 -0.013 0.000 2.321 34 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 34 I C -0.251 175.784 176.117 -0.137 0.000 0.998 34 I CA -0.555 60.716 61.300 -0.049 0.000 1.227 34 I CB 1.333 39.306 38.000 -0.044 0.000 1.368 34 I HN 0.455 nan 8.210 nan 0.000 0.466 35 M N 6.993 126.551 119.600 -0.070 0.000 2.277 35 M HA 0.525 5.005 4.480 -0.000 0.000 0.350 35 M C -1.628 174.619 176.300 -0.089 0.000 1.180 35 M CA -0.371 54.892 55.300 -0.061 0.000 1.103 35 M CB 1.180 33.820 32.600 0.066 0.000 1.577 35 M HN 0.389 nan 8.290 nan 0.000 0.459 36 L N 5.724 126.870 121.223 -0.129 0.000 2.362 36 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 36 L C -1.283 175.588 176.870 0.001 0.000 0.998 36 L CA -0.154 54.629 54.840 -0.094 0.000 0.820 36 L CB 1.998 43.929 42.059 -0.213 0.000 1.270 36 L HN 0.667 nan 8.230 nan 0.000 0.415 37 L N 2.088 123.300 121.223 -0.019 0.000 2.401 37 L HA 0.623 4.963 4.340 -0.000 0.000 0.266 37 L C -0.874 175.904 176.870 -0.153 0.000 0.991 37 L CA -0.980 53.828 54.840 -0.054 0.000 0.818 37 L CB 2.100 44.147 42.059 -0.020 0.000 1.321 37 L HN 0.585 nan 8.230 nan 0.000 0.413 38 D N -0.160 120.128 120.400 -0.187 0.000 2.478 38 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 38 D C 0.790 177.111 176.300 0.036 0.000 1.153 38 D CA -0.652 53.172 54.000 -0.292 0.000 1.038 38 D CB 0.764 41.445 40.800 -0.199 0.000 1.120 38 D HN 0.675 nan 8.370 nan 0.000 0.564 39 E N -0.834 119.563 120.200 0.328 0.000 2.065 39 E HA -0.285 4.065 4.350 -0.000 0.000 0.201 39 E C 1.734 178.447 176.600 0.188 0.000 1.016 39 E CA 1.176 57.755 56.400 0.298 0.000 0.818 39 E CB -0.256 29.637 29.700 0.322 0.000 0.749 39 E HN 0.466 nan 8.360 nan 0.000 0.453 40 F N 1.767 121.750 119.950 0.056 0.000 2.026 40 F HA -0.241 4.286 4.527 0.000 0.000 0.296 40 F C 2.689 178.446 175.800 -0.072 0.000 1.133 40 F CA 2.735 60.736 58.000 0.001 0.000 1.188 40 F CB -1.143 37.849 39.000 -0.012 0.000 0.968 40 F HN 0.159 nan 8.300 nan 0.000 0.476 41 T N -2.657 111.730 114.554 -0.277 0.000 2.822 41 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 41 T C 1.812 176.328 174.700 -0.306 0.000 1.064 41 T CA 1.861 63.634 62.100 -0.544 0.000 1.131 41 T CB -1.352 67.091 68.868 -0.709 0.000 0.858 41 T HN 0.374 nan 8.240 nan 0.000 0.483 42 T N 1.867 116.327 114.554 -0.156 0.000 2.737 42 T HA -0.015 4.335 4.350 -0.000 0.000 0.265 42 T C 1.970 176.623 174.700 -0.079 0.000 1.038 42 T CA 1.248 63.311 62.100 -0.061 0.000 1.144 42 T CB -0.217 68.654 68.868 0.004 0.000 0.866 42 T HN 0.486 nan 8.240 nan 0.000 0.434 43 K N 0.544 120.875 120.400 -0.115 0.000 2.097 43 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 43 K C 2.227 178.723 176.600 -0.174 0.000 1.049 43 K CA 0.863 57.087 56.287 -0.105 0.000 0.933 43 K CB -0.381 32.078 32.500 -0.068 0.000 0.717 43 K HN 0.133 nan 8.250 nan 0.000 0.442 44 L N 1.373 122.375 121.223 -0.369 0.000 2.017 44 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 44 L C 1.864 178.678 176.870 -0.093 0.000 1.073 44 L CA 1.591 56.221 54.840 -0.351 0.000 0.745 44 L CB -0.362 41.325 42.059 -0.621 0.000 0.894 44 L HN 0.121 nan 8.230 nan 0.000 0.432 45 L N -1.218 119.993 121.223 -0.019 0.000 2.072 45 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 45 L C 2.418 179.317 176.870 0.049 0.000 1.079 45 L CA 1.230 56.137 54.840 0.113 0.000 0.752 45 L CB -0.512 41.661 42.059 0.189 0.000 0.906 45 L HN 0.211 nan 8.230 nan 0.000 0.436 46 S N -0.862 114.843 115.700 0.010 0.000 2.442 46 S HA -0.194 4.276 4.470 -0.000 0.000 0.236 46 S C 2.146 176.745 174.600 -0.002 0.000 1.007 46 S CA 1.441 59.640 58.200 -0.001 0.000 0.965 46 S CB -0.182 63.018 63.200 -0.000 0.000 0.773 46 S HN 0.474 nan 8.310 nan 0.000 0.504 47 S N 0.942 116.644 115.700 0.003 0.000 2.357 47 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 47 S C 1.756 176.374 174.600 0.030 0.000 1.031 47 S CA 1.241 59.456 58.200 0.025 0.000 0.982 47 S CB -0.367 62.847 63.200 0.024 0.000 0.853 47 S HN 0.778 nan 8.310 nan 0.000 0.458 48 C N 1.277 120.594 119.300 0.027 0.000 2.863 48 C HA 0.800 5.260 4.460 -0.000 0.000 0.284 48 C C 0.452 175.341 174.990 -0.168 0.000 1.426 48 C CA -1.216 57.813 59.018 0.018 0.000 1.782 48 C CB -2.149 25.679 27.740 0.147 0.000 2.554 48 C HN 0.748 nan 8.230 nan 0.000 0.566 49 C N -1.315 117.866 119.300 -0.200 0.000 3.197 49 C HA 0.589 5.049 4.460 -0.000 0.000 0.343 49 C C -1.318 173.546 174.990 -0.211 0.000 1.291 49 C CA -0.907 57.883 59.018 -0.380 0.000 1.191 49 C CB 0.558 27.852 27.740 -0.744 0.000 1.444 49 C HN 0.512 nan 8.230 nan 0.000 0.468 50 K N 1.467 121.736 120.400 -0.217 0.000 2.130 50 K HA 0.451 4.771 4.320 -0.000 0.000 0.268 50 K C 0.890 177.424 176.600 -0.111 0.000 0.983 50 K CA -0.827 55.385 56.287 -0.126 0.000 0.893 50 K CB 1.111 33.549 32.500 -0.104 0.000 1.066 50 K HN 0.581 nan 8.250 nan 0.000 0.450 51 M N 1.390 120.953 119.600 -0.062 0.000 2.623 51 M HA -0.113 4.367 4.480 -0.000 0.000 0.258 51 M C 1.282 177.554 176.300 -0.047 0.000 1.067 51 M CA 1.455 56.731 55.300 -0.040 0.000 1.068 51 M CB -1.373 31.218 32.600 -0.017 0.000 1.409 51 M HN 0.662 nan 8.290 nan 0.000 0.504 52 T N 0.467 114.987 114.554 -0.057 0.000 2.737 52 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 52 T C 1.303 175.971 174.700 -0.053 0.000 1.038 52 T CA 1.295 63.367 62.100 -0.048 0.000 1.144 52 T CB -0.171 68.669 68.868 -0.048 0.000 0.866 52 T HN 0.354 nan 8.240 nan 0.000 0.434 53 D N 1.352 121.698 120.400 -0.089 0.000 2.265 53 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 53 D C 2.005 178.274 176.300 -0.051 0.000 0.977 53 D CA 0.570 54.518 54.000 -0.086 0.000 0.871 53 D CB -0.269 40.398 40.800 -0.221 0.000 0.925 53 D HN 0.355 nan 8.370 nan 0.000 0.485 54 L N 0.093 121.268 121.223 -0.081 0.000 2.093 54 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 54 L C 2.430 179.234 176.870 -0.111 0.000 1.085 54 L CA 0.354 55.102 54.840 -0.153 0.000 0.755 54 L CB -0.376 41.613 42.059 -0.118 0.000 0.904 54 L HN 0.080 nan 8.230 nan 0.000 0.435 55 L N 0.500 121.717 121.223 -0.010 0.000 2.013 55 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 55 L C 2.271 179.232 176.870 0.151 0.000 1.073 55 L CA 1.889 56.792 54.840 0.104 0.000 0.753 55 L CB -0.472 41.633 42.059 0.077 0.000 0.890 55 L HN 0.223 nan 8.230 nan 0.000 0.432 56 E N -0.734 119.503 120.200 0.062 0.000 2.401 56 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 56 E C 1.215 177.785 176.600 -0.051 0.000 1.023 56 E CA 0.816 57.243 56.400 0.045 0.000 0.859 56 E CB -0.035 29.689 29.700 0.040 0.000 0.780 56 E HN 0.525 nan 8.360 nan 0.000 0.523 57 E N -0.614 119.501 120.200 -0.142 0.000 2.476 57 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 57 E C 0.888 177.293 176.600 -0.325 0.000 1.029 57 E CA 0.346 56.575 56.400 -0.285 0.000 0.896 57 E CB 1.165 30.521 29.700 -0.573 0.000 1.012 57 E HN 0.314 nan 8.360 nan 0.000 0.475 58 G N 1.417 110.042 108.800 -0.291 0.000 2.144 58 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 58 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 58 G C 0.055 174.882 174.900 -0.123 0.000 0.988 58 G CA -0.314 44.533 45.100 -0.423 0.000 0.659 58 G HN 0.144 nan 8.290 nan 0.000 0.522 59 I N 1.595 122.155 120.570 -0.015 0.000 2.328 59 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 59 I C 1.259 177.465 176.117 0.150 0.000 1.012 59 I CA 0.278 61.603 61.300 0.042 0.000 1.195 59 I CB 0.740 38.697 38.000 -0.071 0.000 1.350 59 I HN 0.088 nan 8.210 nan 0.000 0.464 60 T N 5.216 119.877 114.554 0.179 0.000 3.044 60 T HA 0.214 4.564 4.350 -0.000 0.000 0.255 60 T C 0.437 175.154 174.700 0.030 0.000 1.073 60 T CA 0.613 62.764 62.100 0.084 0.000 1.125 60 T CB 0.354 69.239 68.868 0.028 0.000 0.908 60 T HN 0.269 nan 8.240 nan 0.000 0.480 61 V N 2.953 122.891 119.914 0.040 0.000 2.711 61 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 61 V C -0.605 175.505 176.094 0.025 0.000 1.097 61 V CA -1.251 61.066 62.300 0.028 0.000 0.906 61 V CB 1.910 33.755 31.823 0.037 0.000 1.015 61 V HN 0.438 nan 8.190 nan 0.000 0.427 62 I N 1.286 121.871 120.570 0.025 0.000 2.392 62 I HA 0.838 5.008 4.170 -0.000 0.000 0.295 62 I C -0.465 175.670 176.117 0.029 0.000 0.985 62 I CA -0.086 61.230 61.300 0.027 0.000 1.221 62 I CB 1.779 39.803 38.000 0.039 0.000 1.366 62 I HN 0.617 nan 8.210 nan 0.000 0.467 63 E N 4.073 124.288 120.200 0.024 0.000 2.356 63 E HA 0.239 4.589 4.350 -0.000 0.000 0.275 63 E C -1.303 175.318 176.600 0.034 0.000 0.904 63 E CA -0.918 55.506 56.400 0.040 0.000 0.757 63 E CB 2.272 32.009 29.700 0.062 0.000 1.232 63 E HN 0.706 nan 8.360 nan 0.000 0.442 64 N N 2.891 121.621 118.700 0.051 0.000 2.475 64 N HA 0.032 4.772 4.740 -0.000 0.000 0.267 64 N C 0.676 176.207 175.510 0.035 0.000 1.169 64 N CA 0.050 53.124 53.050 0.041 0.000 0.947 64 N CB 0.651 39.201 38.487 0.104 0.000 1.061 64 N HN 0.604 nan 8.380 nan 0.000 0.466 65 I N 4.391 124.922 120.570 -0.065 0.000 2.676 65 I HA -0.226 3.944 4.170 -0.000 0.000 0.259 65 I C 0.833 176.967 176.117 0.027 0.000 1.194 65 I CA 0.793 62.089 61.300 -0.006 0.000 1.473 65 I CB 0.081 38.064 38.000 -0.028 0.000 1.096 65 I HN 0.672 nan 8.210 nan 0.000 0.443 66 Y N 0.841 121.217 120.300 0.128 0.000 2.114 66 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 66 Y C 1.605 177.562 175.900 0.095 0.000 1.119 66 Y CA 0.660 58.824 58.100 0.106 0.000 1.108 66 Y CB -0.346 38.166 38.460 0.086 0.000 0.995 66 Y HN -0.042 nan 8.280 nan 0.000 0.491 67 K N 2.055 122.610 120.400 0.258 0.000 2.355 67 K HA -0.057 4.263 4.320 -0.000 0.000 0.270 67 K C -0.167 176.514 176.600 0.136 0.000 1.003 67 K CA -0.325 56.060 56.287 0.163 0.000 0.957 67 K CB 0.306 32.884 32.500 0.131 0.000 0.939 67 K HN 0.028 nan 8.250 nan 0.000 0.482 68 N N 2.320 121.083 118.700 0.105 0.000 2.479 68 N HA 0.046 4.786 4.740 -0.000 0.000 0.257 68 N C -1.001 174.557 175.510 0.079 0.000 1.232 68 N CA 0.438 53.540 53.050 0.087 0.000 0.920 68 N CB 0.540 39.062 38.487 0.060 0.000 1.105 68 N HN 0.470 nan 8.380 nan 0.000 0.444 69 R N 0.942 121.489 120.500 0.078 0.000 2.888 69 R HA 0.405 4.745 4.340 -0.000 0.000 0.266 69 R C -0.765 175.543 176.300 0.014 0.000 1.020 69 R CA -0.906 55.236 56.100 0.070 0.000 0.963 69 R CB 1.037 31.419 30.300 0.137 0.000 1.197 69 R HN 0.441 nan 8.270 nan 0.000 0.481 70 E N 2.193 122.390 120.200 -0.005 0.000 2.229 70 E HA 0.223 4.573 4.350 -0.000 0.000 0.283 70 E C -2.235 174.279 176.600 -0.143 0.000 1.030 70 E CA -2.203 54.163 56.400 -0.056 0.000 0.836 70 E CB 0.771 30.451 29.700 -0.033 0.000 1.068 70 E HN 0.242 nan 8.360 nan 0.000 0.401 71 P HA -0.021 nan 4.420 nan 0.000 0.261 71 P C -0.540 176.575 177.300 -0.308 0.000 1.183 71 P CA 0.119 62.994 63.100 -0.376 0.000 0.761 71 P CB 0.424 31.962 31.700 -0.270 0.000 0.785 72 V N 5.462 125.116 119.914 -0.433 0.000 2.235 72 V HA 0.252 4.372 4.120 -0.000 0.000 0.266 72 V C 1.419 177.458 176.094 -0.093 0.000 1.055 72 V CA -0.243 61.964 62.300 -0.155 0.000 0.844 72 V CB 0.354 32.192 31.823 0.025 0.000 1.097 72 V HN 0.490 nan 8.190 nan 0.000 0.453 73 R N 2.353 122.798 120.500 -0.091 0.000 2.328 73 R HA 0.015 4.355 4.340 -0.000 0.000 0.206 73 R C 1.684 178.008 176.300 0.040 0.000 0.990 73 R CA 0.524 56.601 56.100 -0.039 0.000 1.085 73 R CB 0.308 30.570 30.300 -0.062 0.000 0.998 73 R HN 0.804 nan 8.270 nan 0.000 0.484 74 Q N -0.749 119.090 119.800 0.064 0.000 2.164 74 Q HA 0.143 4.483 4.340 -0.000 0.000 0.226 74 Q C -0.127 175.947 176.000 0.123 0.000 0.813 74 Q CA 0.017 55.871 55.803 0.084 0.000 0.978 74 Q CB 0.646 29.418 28.738 0.057 0.000 1.149 74 Q HN 0.200 nan 8.270 nan 0.000 0.489 75 M N 1.688 121.391 119.600 0.172 0.000 2.436 75 M HA 0.447 4.927 4.480 -0.000 0.000 0.331 75 M C -0.705 175.757 176.300 0.271 0.000 1.135 75 M CA -0.491 54.932 55.300 0.204 0.000 0.987 75 M CB 2.380 35.104 32.600 0.206 0.000 1.687 75 M HN -0.130 nan 8.290 nan 0.000 0.445 76 K N 1.325 121.845 120.400 0.200 0.000 2.144 76 K HA 0.614 4.934 4.320 -0.000 0.000 0.270 76 K C -0.569 176.086 176.600 0.092 0.000 1.005 76 K CA -0.461 55.955 56.287 0.216 0.000 0.932 76 K CB 1.195 33.806 32.500 0.186 0.000 1.021 76 K HN 0.695 nan 8.250 nan 0.000 0.462 77 A N 2.962 125.834 122.820 0.085 0.000 2.304 77 A HA 0.411 4.731 4.320 -0.000 0.000 0.323 77 A C -0.936 176.592 177.584 -0.094 0.000 1.195 77 A CA -0.721 51.168 52.037 -0.246 0.000 0.826 77 A CB 0.450 19.092 19.000 -0.596 0.000 1.184 77 A HN 0.743 nan 8.150 nan 0.000 0.496 78 L N 3.171 124.269 121.223 -0.208 0.000 2.277 78 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 78 L C -1.480 175.312 176.870 -0.129 0.000 1.028 78 L CA -0.601 54.209 54.840 -0.050 0.000 0.835 78 L CB 0.250 42.271 42.059 -0.063 0.000 1.215 78 L HN 0.744 nan 8.230 nan 0.000 0.425 79 Y N 5.167 125.528 120.300 0.102 0.000 2.477 79 Y HA 0.159 4.709 4.550 0.000 0.000 0.349 79 Y C -0.176 175.798 175.900 0.122 0.000 0.977 79 Y CA 0.010 58.140 58.100 0.050 0.000 1.214 79 Y CB 0.521 38.936 38.460 -0.076 0.000 1.124 79 Y HN 0.455 nan 8.280 nan 0.000 0.521 80 F N 7.505 127.476 119.950 0.035 0.000 2.291 80 F HA 0.568 5.095 4.527 -0.000 0.000 0.368 80 F C -0.483 175.333 175.800 0.027 0.000 1.085 80 F CA -0.929 57.070 58.000 -0.002 0.000 1.165 80 F CB 0.019 38.977 39.000 -0.070 0.000 1.429 80 F HN 0.364 nan 8.300 nan 0.000 0.503 81 I N 1.313 121.893 120.570 0.016 0.000 3.191 81 I HA 0.589 4.759 4.170 -0.000 0.000 0.313 81 I C -0.839 175.336 176.117 0.097 0.000 1.193 81 I CA -1.041 60.242 61.300 -0.028 0.000 0.968 81 I CB 2.097 40.119 38.000 0.037 0.000 1.262 81 I HN 0.307 nan 8.210 nan 0.000 0.456 82 S N 0.934 116.719 115.700 0.142 0.000 2.610 82 S HA 0.526 4.996 4.470 -0.000 0.000 0.273 82 S C -2.468 172.285 174.600 0.255 0.000 1.274 82 S CA -1.344 56.962 58.200 0.177 0.000 1.023 82 S CB 0.742 63.969 63.200 0.046 0.000 0.962 82 S HN 0.576 nan 8.310 nan 0.000 0.523 83 P HA 0.190 nan 4.420 nan 0.000 0.237 83 P C -0.658 176.636 177.300 -0.009 0.000 1.701 83 P CA 0.157 63.222 63.100 -0.058 0.000 0.955 83 P CB -0.798 30.759 31.700 -0.238 0.000 1.937 84 T N 1.584 116.184 114.554 0.077 0.000 2.829 84 T HA 0.230 4.580 4.350 -0.000 0.000 0.282 84 T C -1.510 173.246 174.700 0.093 0.000 0.990 84 T CA -1.707 60.438 62.100 0.076 0.000 1.028 84 T CB 1.334 70.270 68.868 0.114 0.000 0.951 84 T HN -0.047 nan 8.240 nan 0.000 0.460 85 P HA -0.158 nan 4.420 nan 0.000 0.215 85 P C 1.384 178.752 177.300 0.114 0.000 1.163 85 P CA 1.390 64.534 63.100 0.075 0.000 0.894 85 P CB 0.213 31.945 31.700 0.053 0.000 0.791 86 K N -0.630 119.853 120.400 0.137 0.000 2.009 86 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 86 K C 2.273 179.032 176.600 0.265 0.000 1.049 86 K CA 1.849 58.254 56.287 0.197 0.000 0.929 86 K CB -0.746 31.880 32.500 0.211 0.000 0.714 86 K HN 0.066 nan 8.250 nan 0.000 0.440 87 S N 0.726 116.585 115.700 0.266 0.000 2.399 87 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 87 S C 2.071 176.780 174.600 0.182 0.000 1.022 87 S CA 1.005 59.324 58.200 0.198 0.000 0.983 87 S CB -0.081 63.214 63.200 0.158 0.000 0.803 87 S HN 0.054 nan 8.310 nan 0.000 0.480 88 V N 1.688 121.713 119.914 0.186 0.000 2.446 88 V HA -0.066 4.054 4.120 -0.000 0.000 0.244 88 V C 1.937 178.153 176.094 0.204 0.000 1.039 88 V CA 1.347 63.761 62.300 0.190 0.000 1.045 88 V CB -0.591 31.325 31.823 0.154 0.000 0.681 88 V HN 0.286 nan 8.190 nan 0.000 0.459 89 D N -0.176 120.323 120.400 0.165 0.000 2.158 89 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 89 D C 2.131 178.523 176.300 0.153 0.000 0.995 89 D CA 1.644 55.729 54.000 0.142 0.000 0.846 89 D CB -0.393 40.478 40.800 0.119 0.000 0.941 89 D HN 0.447 nan 8.370 nan 0.000 0.456 90 C N 0.029 119.441 119.300 0.186 0.000 2.429 90 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 90 C C 2.466 177.574 174.990 0.196 0.000 1.262 90 C CA -0.047 59.085 59.018 0.191 0.000 1.733 90 C CB -1.253 26.615 27.740 0.213 0.000 2.010 90 C HN 0.332 nan 8.230 nan 0.000 0.483 91 F N 1.749 121.723 119.950 0.040 0.000 2.126 91 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 91 F C 1.991 177.819 175.800 0.046 0.000 1.096 91 F CA 1.577 59.531 58.000 -0.076 0.000 1.255 91 F CB -0.496 38.311 39.000 -0.322 0.000 0.997 91 F HN 0.110 nan 8.300 nan 0.000 0.479 92 L N 0.102 121.330 121.223 0.008 0.000 2.456 92 L HA -0.115 4.225 4.340 -0.000 0.000 0.224 92 L C 2.247 179.076 176.870 -0.068 0.000 1.148 92 L CA 0.853 55.653 54.840 -0.067 0.000 0.825 92 L CB -0.568 41.533 42.059 0.071 0.000 0.937 92 L HN 0.108 nan 8.230 nan 0.000 0.450 93 R N -0.349 120.137 120.500 -0.023 0.000 2.275 93 R HA -0.052 4.288 4.340 -0.000 0.000 0.199 93 R C 1.025 177.292 176.300 -0.055 0.000 0.989 93 R CA 0.653 56.746 56.100 -0.011 0.000 1.016 93 R CB 0.021 30.345 30.300 0.040 0.000 0.918 93 R HN 0.376 nan 8.270 nan 0.000 0.473 94 D N -0.741 119.607 120.400 -0.087 0.000 2.338 94 D HA 0.047 4.687 4.640 -0.000 0.000 0.208 94 D C -0.198 175.790 176.300 -0.521 0.000 0.997 94 D CA 0.744 54.633 54.000 -0.185 0.000 0.880 94 D CB 0.389 41.245 40.800 0.094 0.000 0.980 94 D HN -0.023 nan 8.370 nan 0.000 0.509 95 F N -0.195 119.536 119.950 -0.365 0.000 2.547 95 F HA 0.546 5.073 4.527 -0.000 0.000 0.316 95 F C 1.258 176.922 175.800 -0.228 0.000 1.121 95 F CA -0.490 57.323 58.000 -0.312 0.000 0.911 95 F CB 2.236 40.950 39.000 -0.477 0.000 1.179 95 F HN 0.104 nan 8.300 nan 0.000 0.443 96 G N 1.382 110.194 108.800 0.019 0.000 2.554 96 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 96 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 96 G C -0.355 174.535 174.900 -0.016 0.000 1.172 96 G CA -0.386 44.720 45.100 0.010 0.000 0.950 96 G HN 1.244 nan 8.290 nan 0.000 0.557 97 S N 0.940 116.635 115.700 -0.008 0.000 2.465 97 S HA 0.698 5.168 4.470 -0.000 0.000 0.280 97 S C 0.053 174.642 174.600 -0.019 0.000 1.232 97 S CA 1.326 59.521 58.200 -0.009 0.000 1.066 97 S CB 0.969 64.170 63.200 0.003 0.000 0.929 97 S HN 1.971 nan 8.310 nan 0.000 0.494 98 K N 1.320 121.704 120.400 -0.026 0.000 2.469 98 K HA 0.801 5.121 4.320 -0.000 0.000 0.268 98 K C 0.561 177.137 176.600 -0.039 0.000 1.027 98 K CA -0.608 55.664 56.287 -0.026 0.000 0.893 98 K CB 0.369 32.861 32.500 -0.014 0.000 1.460 98 K HN 1.850 nan 8.250 nan 0.000 0.449 99 S N -2.742 112.936 115.700 -0.036 0.000 3.419 99 S HA -0.147 4.323 4.470 -0.000 0.000 0.350 99 S C 0.529 175.088 174.600 -0.068 0.000 1.128 99 S CA 2.247 60.421 58.200 -0.043 0.000 0.999 99 S CB -2.694 60.483 63.200 -0.037 0.000 0.923 99 S HN 2.309 nan 8.310 nan 0.000 0.522 100 E N 1.438 121.588 120.200 -0.083 0.000 2.585 100 E HA 0.539 4.889 4.350 -0.000 0.000 0.256 100 E C 0.764 177.284 176.600 -0.133 0.000 1.383 100 E CA 0.370 56.688 56.400 -0.137 0.000 1.029 100 E CB 0.241 29.846 29.700 -0.158 0.000 1.044 100 E HN 0.564 nan 8.360 nan 0.000 0.595 101 K N -0.710 119.577 120.400 -0.189 0.000 2.264 101 K HA 0.515 4.835 4.320 -0.000 0.000 0.272 101 K C 0.796 177.165 176.600 -0.386 0.000 1.003 101 K CA -0.431 55.643 56.287 -0.354 0.000 1.266 101 K CB 0.258 32.497 32.500 -0.436 0.000 1.820 101 K HN 0.457 nan 8.250 nan 0.000 0.818 102 K N -0.959 119.111 120.400 -0.550 0.000 2.620 102 K HA 0.200 4.520 4.320 -0.000 0.000 0.208 102 K C -0.200 175.979 176.600 -0.702 0.000 1.582 102 K CA 0.190 56.145 56.287 -0.554 0.000 1.083 102 K CB 0.887 33.092 32.500 -0.491 0.000 1.420 102 K HN 0.260 nan 8.250 nan 0.000 0.582 103 Y N 0.671 120.839 120.300 -0.221 0.000 2.634 103 Y HA 0.274 4.824 4.550 -0.000 0.000 0.340 103 Y C 1.140 177.119 175.900 0.132 0.000 1.058 103 Y CA -1.072 57.058 58.100 0.051 0.000 1.081 103 Y CB 1.492 40.108 38.460 0.261 0.000 1.295 103 Y HN -0.318 nan 8.280 nan 0.000 0.487 104 K N 0.821 121.431 120.400 0.351 0.000 2.025 104 K HA 0.232 4.552 4.320 -0.000 0.000 0.207 104 K C -0.018 176.788 176.600 0.344 0.000 1.049 104 K CA 1.442 57.890 56.287 0.268 0.000 0.933 104 K CB -0.039 32.590 32.500 0.216 0.000 0.714 104 K HN 0.702 nan 8.250 nan 0.000 0.438 105 A N -0.536 122.543 122.820 0.431 0.000 2.594 105 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 105 A C -1.733 176.099 177.584 0.414 0.000 1.105 105 A CA -0.567 51.700 52.037 0.383 0.000 0.694 105 A CB 1.801 20.986 19.000 0.309 0.000 1.291 105 A HN 0.219 nan 8.150 nan 0.000 0.410 106 A N 0.221 123.113 122.820 0.121 0.000 2.331 106 A HA 0.743 5.063 4.320 -0.000 0.000 0.320 106 A C -1.816 175.742 177.584 -0.042 0.000 1.138 106 A CA -0.304 51.783 52.037 0.085 0.000 0.790 106 A CB 0.582 19.348 19.000 -0.390 0.000 1.206 106 A HN 0.862 nan 8.150 nan 0.000 0.470 107 Y N 2.351 122.715 120.300 0.108 0.000 2.447 107 Y HA 0.448 4.998 4.550 0.000 0.000 0.325 107 Y C -0.102 175.811 175.900 0.022 0.000 0.976 107 Y CA -0.541 57.584 58.100 0.043 0.000 1.280 107 Y CB 1.282 39.858 38.460 0.192 0.000 1.104 107 Y HN 0.524 nan 8.280 nan 0.000 0.486 108 I N 4.283 124.707 120.570 -0.244 0.000 2.331 108 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 108 I C -1.083 174.662 176.117 -0.621 0.000 0.998 108 I CA -0.725 60.306 61.300 -0.448 0.000 1.267 108 I CB 0.786 38.283 38.000 -0.838 0.000 1.386 108 I HN 0.457 nan 8.210 nan 0.000 0.476 109 Y N 6.005 126.110 120.300 -0.325 0.000 2.426 109 Y HA 0.407 4.957 4.550 0.000 0.000 0.325 109 Y C -0.485 175.356 175.900 -0.099 0.000 0.989 109 Y CA -0.718 57.278 58.100 -0.174 0.000 1.284 109 Y CB 0.824 39.213 38.460 -0.118 0.000 1.104 109 Y HN 0.313 nan 8.280 nan 0.000 0.481 110 F N 1.308 121.337 119.950 0.132 0.000 2.427 110 F HA 0.151 4.678 4.527 0.000 0.000 0.352 110 F C 1.780 177.656 175.800 0.127 0.000 1.100 110 F CA -0.428 57.629 58.000 0.094 0.000 1.191 110 F CB 1.225 40.230 39.000 0.010 0.000 1.128 110 F HN 0.552 nan 8.300 nan 0.000 0.533 111 T N -1.971 112.776 114.554 0.321 0.000 2.881 111 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 111 T C 0.355 175.126 174.700 0.118 0.000 1.068 111 T CA 1.267 63.515 62.100 0.246 0.000 1.131 111 T CB -0.080 68.924 68.868 0.226 0.000 0.871 111 T HN 0.501 nan 8.240 nan 0.000 0.479 112 D N -1.016 119.426 120.400 0.070 0.000 2.752 112 D HA 0.427 5.067 4.640 -0.000 0.000 0.313 112 D C -1.265 174.978 176.300 -0.095 0.000 1.225 112 D CA -1.437 52.524 54.000 -0.064 0.000 0.976 112 D CB 0.975 41.765 40.800 -0.015 0.000 1.443 112 D HN 0.064 nan 8.370 nan 0.000 0.515 113 F N 0.848 120.811 119.950 0.022 0.000 2.608 113 F HA 0.101 4.628 4.527 0.000 0.000 0.380 113 F C 1.157 176.882 175.800 -0.126 0.000 1.083 113 F CA -0.101 57.881 58.000 -0.030 0.000 1.266 113 F CB 0.238 39.223 39.000 -0.026 0.000 1.076 113 F HN 0.018 nan 8.300 nan 0.000 0.574 114 C N 7.143 126.425 119.300 -0.030 0.000 2.325 114 C HA 0.452 4.912 4.460 -0.000 0.000 0.347 114 C C -1.983 172.952 174.990 -0.092 0.000 1.263 114 C CA -2.095 56.764 59.018 -0.264 0.000 1.806 114 C CB -0.527 26.858 27.740 -0.591 0.000 2.405 114 C HN 0.550 nan 8.230 nan 0.000 0.537 115 P HA 0.105 nan 4.420 nan 0.000 0.265 115 P C 0.313 177.604 177.300 -0.015 0.000 1.193 115 P CA 0.401 63.472 63.100 -0.049 0.000 0.765 115 P CB 0.573 32.245 31.700 -0.047 0.000 0.823 116 D N 0.696 121.078 120.400 -0.031 0.000 2.182 116 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 116 D C 1.868 178.193 176.300 0.043 0.000 0.986 116 D CA 1.799 55.789 54.000 -0.018 0.000 0.847 116 D CB -0.434 40.326 40.800 -0.067 0.000 0.942 116 D HN 0.421 nan 8.370 nan 0.000 0.467 117 S N 0.367 116.078 115.700 0.018 0.000 2.351 117 S HA -0.155 4.315 4.470 -0.000 0.000 0.220 117 S C 2.206 176.834 174.600 0.045 0.000 1.035 117 S CA 0.748 58.963 58.200 0.026 0.000 1.031 117 S CB -0.852 62.353 63.200 0.007 0.000 0.928 117 S HN 0.252 nan 8.310 nan 0.000 0.433 118 L N -0.244 120.997 121.223 0.029 0.000 2.017 118 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 118 L C 2.564 179.462 176.870 0.046 0.000 1.073 118 L CA 1.829 56.681 54.840 0.020 0.000 0.745 118 L CB -0.615 41.423 42.059 -0.035 0.000 0.894 118 L HN 0.295 nan 8.230 nan 0.000 0.432 119 F N 1.346 121.245 119.950 -0.086 0.000 2.091 119 F HA -0.322 4.205 4.527 -0.000 0.000 0.299 119 F C 2.438 178.229 175.800 -0.015 0.000 1.103 119 F CA 1.824 59.785 58.000 -0.064 0.000 1.228 119 F CB -0.178 38.773 39.000 -0.083 0.000 0.984 119 F HN 0.179 nan 8.300 nan 0.000 0.477 120 N N 0.764 119.643 118.700 0.298 0.000 2.149 120 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 120 N C 1.577 177.144 175.510 0.095 0.000 1.019 120 N CA 1.487 54.656 53.050 0.198 0.000 0.857 120 N CB -0.486 38.075 38.487 0.124 0.000 0.997 120 N HN 0.400 nan 8.380 nan 0.000 0.426 121 K N 0.640 121.079 120.400 0.065 0.000 2.362 121 K HA -0.009 4.311 4.320 -0.000 0.000 0.200 121 K C 1.806 178.432 176.600 0.042 0.000 1.046 121 K CA 0.658 56.975 56.287 0.050 0.000 0.952 121 K CB 0.054 32.585 32.500 0.052 0.000 0.753 121 K HN 0.439 nan 8.250 nan 0.000 0.466 122 I N -4.415 116.151 120.570 -0.006 0.000 4.187 122 I HA 0.129 4.299 4.170 -0.000 0.000 0.326 122 I C 1.805 177.872 176.117 -0.084 0.000 1.302 122 I CA 0.118 61.409 61.300 -0.015 0.000 1.196 122 I CB 0.145 38.103 38.000 -0.069 0.000 1.095 122 I HN -0.221 nan 8.210 nan 0.000 0.411 123 K N 1.804 122.148 120.400 -0.093 0.000 2.365 123 K HA 0.379 4.699 4.320 -0.000 0.000 0.199 123 K C 1.916 178.541 176.600 0.041 0.000 1.045 123 K CA 1.223 57.505 56.287 -0.008 0.000 0.962 123 K CB -0.655 31.974 32.500 0.215 0.000 0.759 123 K HN 0.672 nan 8.250 nan 0.000 0.469 124 A N 0.409 123.253 122.820 0.040 0.000 1.884 124 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 124 A C 2.158 179.764 177.584 0.036 0.000 1.265 124 A CA 1.225 53.286 52.037 0.041 0.000 0.626 124 A CB -0.178 18.847 19.000 0.042 0.000 0.943 124 A HN 0.356 nan 8.150 nan 0.000 0.466 125 S N 0.266 115.989 115.700 0.038 0.000 3.009 125 S HA -0.006 4.464 4.470 -0.000 0.000 0.243 125 S C 1.380 176.011 174.600 0.052 0.000 1.012 125 S CA 0.379 58.603 58.200 0.040 0.000 1.113 125 S CB -1.283 61.939 63.200 0.037 0.000 0.827 125 S HN 0.659 nan 8.310 nan 0.000 0.495 126 C N 1.617 120.942 119.300 0.041 0.000 2.386 126 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 126 C C 0.961 175.981 174.990 0.050 0.000 1.208 126 C CA 0.916 59.954 59.018 0.033 0.000 1.747 126 C CB -1.341 26.406 27.740 0.011 0.000 2.046 126 C HN 0.605 nan 8.230 nan 0.000 0.453 127 S N -1.185 114.547 115.700 0.052 0.000 3.349 127 S HA -0.151 4.319 4.470 -0.000 0.000 0.854 127 S C 0.212 174.845 174.600 0.055 0.000 1.140 127 S CA 0.424 58.666 58.200 0.071 0.000 1.044 127 S CB -0.492 62.788 63.200 0.132 0.000 0.716 127 S HN 0.800 nan 8.310 nan 0.000 0.271 128 K N 1.159 121.591 120.400 0.053 0.000 2.362 128 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 128 K C 2.116 178.736 176.600 0.034 0.000 1.045 128 K CA 1.488 57.797 56.287 0.036 0.000 0.936 128 K CB -0.258 32.266 32.500 0.040 0.000 0.747 128 K HN 0.524 nan 8.250 nan 0.000 0.467 129 S N 1.809 117.560 115.700 0.085 0.000 2.365 129 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 129 S C 1.095 175.659 174.600 -0.060 0.000 1.037 129 S CA 0.836 59.101 58.200 0.108 0.000 1.060 129 S CB -0.392 63.009 63.200 0.334 0.000 0.974 129 S HN 0.252 nan 8.310 nan 0.000 0.427 130 I N 3.116 123.605 120.570 -0.137 0.000 3.209 130 I HA -0.097 4.073 4.170 -0.000 0.000 0.288 130 I C 1.360 177.320 176.117 -0.262 0.000 1.182 130 I CA 0.095 61.258 61.300 -0.228 0.000 1.472 130 I CB 0.031 37.922 38.000 -0.181 0.000 1.515 130 I HN 0.152 nan 8.210 nan 0.000 0.646 131 R N 4.785 125.026 120.500 -0.431 0.000 2.276 131 R HA 0.202 4.542 4.340 -0.000 0.000 0.196 131 R C 0.558 176.585 176.300 -0.455 0.000 0.961 131 R CA 0.276 56.096 56.100 -0.466 0.000 1.024 131 R CB -0.011 29.877 30.300 -0.686 0.000 0.940 131 R HN 0.592 nan 8.270 nan 0.000 0.480 132 R N -0.786 119.423 120.500 -0.484 0.000 2.633 132 R HA 0.124 4.464 4.340 -0.000 0.000 0.256 132 R C -2.121 173.938 176.300 -0.402 0.000 1.131 132 R CA -0.371 55.509 56.100 -0.366 0.000 0.994 132 R CB 1.122 31.241 30.300 -0.300 0.000 1.261 132 R HN 0.080 nan 8.270 nan 0.000 0.446 133 C N 5.190 124.300 119.300 -0.317 0.000 2.547 133 C HA 0.588 5.048 4.460 -0.000 0.000 0.327 133 C C -0.950 173.920 174.990 -0.200 0.000 1.076 133 C CA -0.447 58.386 59.018 -0.308 0.000 1.390 133 C CB 0.261 27.893 27.740 -0.179 0.000 1.918 133 C HN 0.867 nan 8.230 nan 0.000 0.438 134 K N 3.239 123.435 120.400 -0.340 0.000 2.238 134 K HA 0.618 4.938 4.320 -0.000 0.000 0.239 134 K C -0.696 175.906 176.600 0.003 0.000 0.987 134 K CA -0.491 55.697 56.287 -0.165 0.000 0.857 134 K CB 1.818 34.179 32.500 -0.231 0.000 1.154 134 K HN 0.651 nan 8.250 nan 0.000 0.439 135 E N 1.996 122.222 120.200 0.043 0.000 2.165 135 E HA 0.175 4.525 4.350 -0.000 0.000 0.266 135 E C 0.359 176.946 176.600 -0.022 0.000 0.889 135 E CA -0.217 56.211 56.400 0.046 0.000 0.756 135 E CB 1.351 31.015 29.700 -0.060 0.000 1.131 135 E HN 0.563 nan 8.360 nan 0.000 0.411 136 I N -0.023 120.567 120.570 0.033 0.000 3.941 136 I HA 0.230 4.400 4.170 -0.000 0.000 0.321 136 I C -0.456 175.665 176.117 0.005 0.000 1.284 136 I CA -0.255 61.061 61.300 0.027 0.000 1.226 136 I CB -0.150 37.884 38.000 0.057 0.000 1.045 136 I HN 0.466 nan 8.210 nan 0.000 0.420 137 N N 2.362 121.033 118.700 -0.049 0.000 2.681 137 N HA -0.130 4.610 4.740 -0.000 0.000 0.259 137 N C -0.876 174.674 175.510 0.067 0.000 1.066 137 N CA 0.311 53.328 53.050 -0.056 0.000 0.717 137 N CB -1.094 37.361 38.487 -0.053 0.000 0.885 137 N HN 0.478 nan 8.380 nan 0.000 0.547 138 I N 0.430 121.068 120.570 0.115 0.000 2.521 138 I HA 0.153 4.323 4.170 -0.000 0.000 0.277 138 I C 0.102 176.343 176.117 0.207 0.000 1.054 138 I CA -0.184 61.199 61.300 0.138 0.000 1.117 138 I CB 1.754 39.791 38.000 0.063 0.000 1.217 138 I HN 0.133 nan 8.210 nan 0.000 0.469 139 S N 6.943 122.803 115.700 0.267 0.000 2.499 139 S HA 0.483 4.953 4.470 -0.000 0.000 0.238 139 S C -0.561 174.291 174.600 0.419 0.000 1.205 139 S CA -0.477 57.840 58.200 0.195 0.000 1.203 139 S CB -0.264 62.946 63.200 0.017 0.000 0.954 139 S HN 0.497 nan 8.310 nan 0.000 0.484 140 F N -0.516 119.698 119.950 0.440 0.000 2.711 140 F HA 0.706 5.233 4.527 -0.000 0.000 0.313 140 F C -1.573 174.453 175.800 0.376 0.000 1.141 140 F CA -1.470 56.770 58.000 0.400 0.000 0.941 140 F CB 0.796 39.968 39.000 0.286 0.000 1.349 140 F HN -0.158 nan 8.300 nan 0.000 0.464 141 I N 1.791 122.646 120.570 0.476 0.000 2.362 141 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 141 I C -2.531 173.828 176.117 0.402 0.000 0.994 141 I CA -2.592 58.862 61.300 0.257 0.000 1.158 141 I CB 1.407 39.541 38.000 0.223 0.000 1.315 141 I HN 0.363 nan 8.210 nan 0.000 0.451 142 P HA 0.123 nan 4.420 nan 0.000 0.226 142 P C 0.835 178.295 177.300 0.267 0.000 1.783 142 P CA -0.171 63.136 63.100 0.346 0.000 0.980 142 P CB 0.186 32.038 31.700 0.254 0.000 1.967 143 Q N 0.634 120.598 119.800 0.273 0.000 2.082 143 Q HA -0.171 4.169 4.340 -0.000 0.000 0.211 143 Q C 0.548 176.697 176.000 0.249 0.000 1.002 143 Q CA 1.721 57.661 55.803 0.229 0.000 0.868 143 Q CB 0.030 28.891 28.738 0.206 0.000 0.931 143 Q HN 0.544 nan 8.270 nan 0.000 0.414 144 E N -1.560 118.805 120.200 0.275 0.000 2.423 144 E HA 0.201 4.551 4.350 -0.000 0.000 0.269 144 E C 0.545 177.312 176.600 0.279 0.000 0.948 144 E CA 0.195 56.778 56.400 0.306 0.000 0.802 144 E CB 1.358 31.282 29.700 0.374 0.000 1.339 144 E HN 0.070 nan 8.360 nan 0.000 0.445 145 S N -0.178 115.684 115.700 0.270 0.000 2.584 145 S HA -0.187 4.283 4.470 -0.000 0.000 0.240 145 S C 1.187 175.851 174.600 0.105 0.000 0.975 145 S CA 1.210 59.519 58.200 0.183 0.000 0.949 145 S CB 0.038 63.333 63.200 0.158 0.000 0.761 145 S HN 0.553 nan 8.310 nan 0.000 0.536 146 Q N -0.725 119.147 119.800 0.121 0.000 1.988 146 Q HA 0.365 4.705 4.340 -0.000 0.000 0.202 146 Q C -1.212 174.869 176.000 0.135 0.000 0.760 146 Q CA -0.019 55.785 55.803 0.002 0.000 0.940 146 Q CB 1.441 29.937 28.738 -0.404 0.000 1.214 146 Q HN 0.404 nan 8.270 nan 0.000 0.432 147 V N 1.963 122.017 119.914 0.232 0.000 2.604 147 V HA 0.498 4.618 4.120 -0.000 0.000 0.305 147 V C -1.001 175.256 176.094 0.272 0.000 1.043 147 V CA -0.859 61.565 62.300 0.207 0.000 0.888 147 V CB 1.268 33.202 31.823 0.184 0.000 0.995 147 V HN 0.266 nan 8.190 nan 0.000 0.429 148 Y N 1.628 122.019 120.300 0.152 0.000 2.536 148 Y HA 0.914 5.464 4.550 -0.000 0.000 0.347 148 Y C -0.152 175.874 175.900 0.211 0.000 1.000 148 Y CA -0.841 57.393 58.100 0.223 0.000 1.051 148 Y CB 2.099 40.651 38.460 0.154 0.000 1.259 148 Y HN 0.644 nan 8.280 nan 0.000 0.468 149 T N 1.985 116.748 114.554 0.349 0.000 2.900 149 T HA 0.701 5.051 4.350 -0.000 0.000 0.295 149 T C -0.665 174.307 174.700 0.452 0.000 1.044 149 T CA -0.911 61.344 62.100 0.257 0.000 0.995 149 T CB 1.284 70.262 68.868 0.182 0.000 1.072 149 T HN 0.850 nan 8.240 nan 0.000 0.473 150 L N 0.964 122.433 121.223 0.411 0.000 2.657 150 L HA 0.628 4.968 4.340 -0.000 0.000 0.240 150 L C 0.126 177.187 176.870 0.319 0.000 1.151 150 L CA -0.877 54.207 54.840 0.407 0.000 0.831 150 L CB 0.415 42.703 42.059 0.380 0.000 1.539 150 L HN 0.735 nan 8.230 nan 0.000 0.511 151 D N 0.059 120.595 120.400 0.227 0.000 2.749 151 D HA 0.265 4.905 4.640 -0.000 0.000 0.338 151 D C -1.229 175.128 176.300 0.095 0.000 1.236 151 D CA -0.143 53.954 54.000 0.161 0.000 0.845 151 D CB 0.545 41.400 40.800 0.091 0.000 1.080 151 D HN 0.088 nan 8.370 nan 0.000 0.497 152 V N 3.045 123.038 119.914 0.132 0.000 2.235 152 V HA 0.375 4.495 4.120 -0.000 0.000 0.266 152 V C -2.015 174.141 176.094 0.103 0.000 1.055 152 V CA -1.600 60.761 62.300 0.101 0.000 0.844 152 V CB 0.621 32.520 31.823 0.126 0.000 1.097 152 V HN 0.266 nan 8.190 nan 0.000 0.453 153 P HA 0.055 nan 4.420 nan 0.000 0.261 153 P C 0.290 177.660 177.300 0.117 0.000 1.173 153 P CA 0.663 63.811 63.100 0.081 0.000 0.760 153 P CB 0.197 31.931 31.700 0.056 0.000 0.783 154 D N 0.912 121.393 120.400 0.135 0.000 2.837 154 D HA -0.238 4.402 4.640 -0.000 0.000 0.230 154 D C 1.209 177.724 176.300 0.360 0.000 1.152 154 D CA 1.281 55.427 54.000 0.244 0.000 0.736 154 D CB -1.253 39.764 40.800 0.361 0.000 1.084 154 D HN 0.455 nan 8.370 nan 0.000 0.429 155 A N -0.109 122.849 122.820 0.230 0.000 1.845 155 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 155 A C 2.002 179.711 177.584 0.208 0.000 1.195 155 A CA 1.766 53.932 52.037 0.215 0.000 0.616 155 A CB -0.718 18.399 19.000 0.195 0.000 0.832 155 A HN 0.307 nan 8.150 nan 0.000 0.443 156 F N -0.596 119.401 119.950 0.078 0.000 2.032 156 F HA -0.336 4.191 4.527 0.000 0.000 0.297 156 F C 2.218 178.050 175.800 0.053 0.000 1.125 156 F CA 2.513 60.572 58.000 0.099 0.000 1.202 156 F CB -0.877 38.194 39.000 0.117 0.000 0.958 156 F HN 0.412 nan 8.300 nan 0.000 0.491 157 Y N -0.353 120.116 120.300 0.282 0.000 2.081 157 Y HA -0.346 4.204 4.550 -0.000 0.000 0.280 157 Y C 1.961 177.762 175.900 -0.165 0.000 1.163 157 Y CA 2.242 60.372 58.100 0.050 0.000 1.135 157 Y CB -1.131 37.264 38.460 -0.109 0.000 0.970 157 Y HN 0.196 nan 8.280 nan 0.000 0.498 158 Y N -1.255 119.083 120.300 0.064 0.000 2.619 158 Y HA -0.048 4.502 4.550 -0.000 0.000 0.308 158 Y C 1.939 177.695 175.900 -0.240 0.000 1.192 158 Y CA 0.361 58.423 58.100 -0.063 0.000 1.319 158 Y CB -0.341 38.164 38.460 0.076 0.000 1.030 158 Y HN 0.248 nan 8.280 nan 0.000 0.517 159 C N -2.373 116.716 119.300 -0.352 0.000 3.097 159 C HA 0.142 4.602 4.460 -0.000 0.000 0.335 159 C C 0.746 175.235 174.990 -0.835 0.000 1.283 159 C CA 0.078 58.701 59.018 -0.659 0.000 1.778 159 C CB -0.411 26.738 27.740 -0.984 0.000 2.365 159 C HN 0.491 nan 8.230 nan 0.000 0.627 160 Y N 0.988 121.093 120.300 -0.325 0.000 2.675 160 Y HA 0.251 4.801 4.550 -0.000 0.000 0.248 160 Y C 1.388 177.140 175.900 -0.247 0.000 1.161 160 Y CA -0.503 57.433 58.100 -0.274 0.000 1.203 160 Y CB -0.779 37.442 38.460 -0.398 0.000 1.262 160 Y HN 0.138 nan 8.280 nan 0.000 0.544 161 S N 0.572 116.069 115.700 -0.339 0.000 2.612 161 S HA 0.248 4.718 4.470 -0.000 0.000 0.253 161 S C -2.018 172.546 174.600 -0.061 0.000 1.346 161 S CA -0.813 57.125 58.200 -0.438 0.000 0.976 161 S CB 1.108 63.850 63.200 -0.764 0.000 0.949 161 S HN -0.050 nan 8.310 nan 0.000 0.584 162 P HA 0.252 nan 4.420 nan 0.000 0.339 162 P C -0.478 176.837 177.300 0.025 0.000 1.413 162 P CA 0.055 63.218 63.100 0.105 0.000 0.833 162 P CB 0.078 31.836 31.700 0.096 0.000 2.004 163 D N -1.657 118.757 120.400 0.023 0.000 2.957 163 D HA 0.268 4.908 4.640 -0.000 0.000 0.352 163 D C -1.866 174.446 176.300 0.020 0.000 1.352 163 D CA -0.645 53.362 54.000 0.012 0.000 0.831 163 D CB -0.613 40.189 40.800 0.004 0.000 1.147 163 D HN 0.202 nan 8.370 nan 0.000 0.467 164 P HA 0.281 nan 4.420 nan 0.000 0.341 164 P C 1.213 178.540 177.300 0.044 0.000 1.368 164 P CA -0.341 62.781 63.100 0.037 0.000 0.835 164 P CB 0.569 32.297 31.700 0.046 0.000 2.010 165 S N -0.073 115.660 115.700 0.055 0.000 2.368 165 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 165 S C 0.969 175.618 174.600 0.082 0.000 1.029 165 S CA 1.319 59.555 58.200 0.059 0.000 0.988 165 S CB -1.306 61.929 63.200 0.059 0.000 0.838 165 S HN 0.631 nan 8.310 nan 0.000 0.462 166 N N 1.781 120.554 118.700 0.121 0.000 3.210 166 N HA 0.352 5.092 4.740 -0.000 0.000 0.314 166 N C 0.081 175.701 175.510 0.183 0.000 1.291 166 N CA 0.274 53.444 53.050 0.199 0.000 1.202 166 N CB -0.085 38.603 38.487 0.334 0.000 1.475 166 N HN 0.285 nan 8.380 nan 0.000 0.554 167 A N -0.370 122.511 122.820 0.102 0.000 2.288 167 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 167 A C 1.945 179.556 177.584 0.045 0.000 1.199 167 A CA 0.234 52.311 52.037 0.067 0.000 0.891 167 A CB -0.217 18.803 19.000 0.033 0.000 0.923 167 A HN 0.498 nan 8.150 nan 0.000 0.500 168 S N 0.250 115.976 115.700 0.044 0.000 2.428 168 S HA -0.077 4.393 4.470 -0.000 0.000 0.230 168 S C 1.785 176.379 174.600 -0.010 0.000 1.014 168 S CA 0.855 59.063 58.200 0.014 0.000 0.957 168 S CB -0.338 62.870 63.200 0.013 0.000 0.784 168 S HN 0.577 nan 8.310 nan 0.000 0.499 169 R N 1.105 121.603 120.500 -0.003 0.000 2.200 169 R HA 0.201 4.541 4.340 -0.000 0.000 0.208 169 R C 2.368 178.600 176.300 -0.112 0.000 1.033 169 R CA 0.694 56.721 56.100 -0.122 0.000 1.000 169 R CB -0.182 29.944 30.300 -0.289 0.000 0.906 169 R HN 0.474 nan 8.270 nan 0.000 0.462 170 K N 1.717 122.128 120.400 0.018 0.000 2.032 170 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 170 K C 1.981 178.565 176.600 -0.027 0.000 1.048 170 K CA 1.677 57.978 56.287 0.023 0.000 0.927 170 K CB 0.035 32.551 32.500 0.025 0.000 0.712 170 K HN 0.131 nan 8.250 nan 0.000 0.441 171 E N 0.323 120.504 120.200 -0.031 0.000 2.058 171 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 171 E C 1.933 178.504 176.600 -0.050 0.000 0.997 171 E CA 1.409 57.786 56.400 -0.039 0.000 0.801 171 E CB 0.011 29.691 29.700 -0.034 0.000 0.746 171 E HN 0.156 nan 8.360 nan 0.000 0.450 172 V N 0.804 120.679 119.914 -0.065 0.000 2.324 172 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 172 V C 2.471 178.519 176.094 -0.075 0.000 1.060 172 V CA 1.672 63.926 62.300 -0.078 0.000 1.042 172 V CB -0.252 31.506 31.823 -0.109 0.000 0.650 172 V HN 0.240 nan 8.190 nan 0.000 0.450 173 V N -1.068 118.796 119.914 -0.083 0.000 2.548 173 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 173 V C 2.374 178.457 176.094 -0.019 0.000 1.055 173 V CA 1.463 63.734 62.300 -0.048 0.000 1.065 173 V CB -0.465 31.341 31.823 -0.028 0.000 0.681 173 V HN 0.410 nan 8.190 nan 0.000 0.462 174 M N 0.441 120.023 119.600 -0.030 0.000 2.175 174 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 174 M C 2.324 178.601 176.300 -0.038 0.000 1.063 174 M CA 1.930 57.212 55.300 -0.029 0.000 1.119 174 M CB -0.968 31.609 32.600 -0.039 0.000 1.377 174 M HN 0.708 nan 8.290 nan 0.000 0.415 175 E N 0.360 120.535 120.200 -0.041 0.000 2.072 175 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 175 E C 2.039 178.616 176.600 -0.038 0.000 0.982 175 E CA 1.189 57.563 56.400 -0.043 0.000 0.803 175 E CB -0.465 29.210 29.700 -0.042 0.000 0.755 175 E HN 0.319 nan 8.360 nan 0.000 0.453 176 A N 1.722 124.523 122.820 -0.031 0.000 1.892 176 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 176 A C 2.361 179.937 177.584 -0.014 0.000 1.188 176 A CA 2.068 54.093 52.037 -0.020 0.000 0.631 176 A CB -0.682 18.308 19.000 -0.017 0.000 0.822 176 A HN 0.315 nan 8.150 nan 0.000 0.447 177 M N -0.873 118.720 119.600 -0.011 0.000 2.086 177 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 177 M C 2.597 178.810 176.300 -0.144 0.000 1.067 177 M CA 1.462 56.738 55.300 -0.039 0.000 1.116 177 M CB -0.498 32.103 32.600 0.002 0.000 1.348 177 M HN 0.524 nan 8.290 nan 0.000 0.407 178 A N 1.303 124.050 122.820 -0.122 0.000 1.849 178 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 178 A C 1.899 179.420 177.584 -0.104 0.000 1.202 178 A CA 2.313 54.271 52.037 -0.132 0.000 0.629 178 A CB -1.201 17.748 19.000 -0.086 0.000 0.834 178 A HN 0.698 nan 8.150 nan 0.000 0.447 179 E N -0.675 119.493 120.200 -0.053 0.000 2.118 179 E HA -0.319 4.031 4.350 -0.000 0.000 0.195 179 E C 2.071 178.666 176.600 -0.010 0.000 0.992 179 E CA 1.526 57.921 56.400 -0.009 0.000 0.804 179 E CB -0.408 29.313 29.700 0.034 0.000 0.741 179 E HN 0.737 nan 8.360 nan 0.000 0.458 180 Q N 0.594 120.383 119.800 -0.019 0.000 2.079 180 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 180 Q C 2.232 178.220 176.000 -0.021 0.000 0.974 180 Q CA 1.552 57.364 55.803 0.014 0.000 0.840 180 Q CB -0.017 28.746 28.738 0.042 0.000 0.898 180 Q HN 0.413 nan 8.270 nan 0.000 0.430 181 I N -0.586 119.909 120.570 -0.125 0.000 2.226 181 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 181 I C 2.020 178.001 176.117 -0.225 0.000 1.100 181 I CA 0.661 61.825 61.300 -0.227 0.000 1.374 181 I CB -0.188 37.584 38.000 -0.380 0.000 1.057 181 I HN 0.088 nan 8.210 nan 0.000 0.413 182 V N 1.167 120.973 119.914 -0.179 0.000 2.392 182 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 182 V C 2.734 178.657 176.094 -0.286 0.000 1.059 182 V CA 2.588 64.755 62.300 -0.221 0.000 1.051 182 V CB -1.153 30.554 31.823 -0.192 0.000 0.658 182 V HN 0.671 nan 8.190 nan 0.000 0.455 183 T N -2.293 112.160 114.554 -0.168 0.000 2.881 183 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 183 T C 1.738 176.418 174.700 -0.034 0.000 1.068 183 T CA 1.563 63.616 62.100 -0.078 0.000 1.131 183 T CB -0.366 68.561 68.868 0.097 0.000 0.871 183 T HN 0.267 nan 8.240 nan 0.000 0.479 184 V N 1.227 120.989 119.914 -0.253 0.000 2.358 184 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 184 V C 3.169 179.036 176.094 -0.378 0.000 1.047 184 V CA 1.623 63.526 62.300 -0.663 0.000 1.035 184 V CB -1.064 30.126 31.823 -1.056 0.000 0.658 184 V HN 0.680 nan 8.190 nan 0.000 0.452 185 C N 0.585 119.722 119.300 -0.272 0.000 2.453 185 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 185 C C 3.130 178.091 174.990 -0.048 0.000 1.262 185 C CA 0.546 59.480 59.018 -0.141 0.000 1.718 185 C CB -1.465 26.221 27.740 -0.090 0.000 2.031 185 C HN 0.600 nan 8.230 nan 0.000 0.480 186 A N 0.640 123.381 122.820 -0.133 0.000 1.940 186 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 186 A C 2.184 179.809 177.584 0.067 0.000 1.176 186 A CA 2.521 54.513 52.037 -0.075 0.000 0.631 186 A CB -1.115 17.621 19.000 -0.440 0.000 0.814 186 A HN 0.578 nan 8.150 nan 0.000 0.446 187 T N 0.140 114.735 114.554 0.067 0.000 2.867 187 T HA 0.011 4.361 4.350 -0.000 0.000 0.268 187 T C 1.417 176.181 174.700 0.107 0.000 1.057 187 T CA 1.190 63.372 62.100 0.136 0.000 1.136 187 T CB -0.271 68.772 68.868 0.291 0.000 0.874 187 T HN 0.359 nan 8.240 nan 0.000 0.466 188 L N 0.886 122.142 121.223 0.056 0.000 2.591 188 L HA 0.130 4.470 4.340 -0.000 0.000 0.228 188 L C 0.210 177.111 176.870 0.051 0.000 1.133 188 L CA 0.037 54.899 54.840 0.037 0.000 0.880 188 L CB -0.294 41.752 42.059 -0.022 0.000 1.033 188 L HN 0.097 nan 8.230 nan 0.000 0.450 189 D N 1.003 121.459 120.400 0.093 0.000 2.708 189 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 189 D C 0.134 176.478 176.300 0.073 0.000 1.146 189 D CA 0.997 55.071 54.000 0.123 0.000 0.662 189 D CB -0.487 40.366 40.800 0.089 0.000 1.059 189 D HN 0.404 nan 8.370 nan 0.000 0.428 190 E N 0.246 120.489 120.200 0.072 0.000 2.212 190 E HA 0.356 4.706 4.350 -0.000 0.000 0.268 190 E C 0.154 176.765 176.600 0.018 0.000 0.902 190 E CA -0.660 55.746 56.400 0.009 0.000 0.779 190 E CB 1.459 31.155 29.700 -0.008 0.000 1.172 190 E HN -0.025 nan 8.360 nan 0.000 0.409 191 N N 2.811 121.456 118.700 -0.092 0.000 2.886 191 N HA 0.262 5.002 4.740 -0.000 0.000 0.285 191 N C -2.773 172.717 175.510 -0.032 0.000 1.706 191 N CA -2.035 50.961 53.050 -0.090 0.000 0.904 191 N CB 0.516 38.770 38.487 -0.388 0.000 1.224 191 N HN 0.086 nan 8.380 nan 0.000 0.488 192 P HA 0.197 nan 4.420 nan 0.000 0.273 192 P C 0.353 177.671 177.300 0.031 0.000 1.250 192 P CA -0.252 62.851 63.100 0.006 0.000 0.793 192 P CB 0.598 32.298 31.700 0.000 0.000 1.011 193 G N -0.237 108.593 108.800 0.050 0.000 2.444 193 G HA2 0.452 4.412 3.960 -0.000 0.000 0.268 193 G HA3 0.452 4.412 3.960 -0.000 0.000 0.268 193 G C -0.843 174.106 174.900 0.081 0.000 1.203 193 G CA -0.367 44.793 45.100 0.100 0.000 0.835 193 G HN 0.320 nan 8.290 nan 0.000 0.543 194 V N 2.424 122.399 119.914 0.102 0.000 2.427 194 V HA 0.582 4.702 4.120 -0.000 0.000 0.286 194 V C 0.242 176.319 176.094 -0.028 0.000 1.034 194 V CA -0.564 61.770 62.300 0.057 0.000 0.893 194 V CB 1.151 33.026 31.823 0.087 0.000 0.982 194 V HN 0.789 nan 8.190 nan 0.000 0.452 195 R N 3.210 123.661 120.500 -0.082 0.000 2.651 195 R HA 0.584 4.924 4.340 -0.000 0.000 0.278 195 R C -1.368 174.950 176.300 0.030 0.000 1.010 195 R CA -0.727 55.241 56.100 -0.220 0.000 0.896 195 R CB 2.360 32.403 30.300 -0.428 0.000 1.211 195 R HN 0.771 nan 8.270 nan 0.000 0.456 196 Y N -0.214 120.087 120.300 0.003 0.000 2.679 196 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 196 Y C 1.105 176.947 175.900 -0.097 0.000 1.183 196 Y CA -1.095 57.005 58.100 -0.001 0.000 1.290 196 Y CB 0.551 38.986 38.460 -0.041 0.000 1.489 196 Y HN 0.526 nan 8.280 nan 0.000 0.583 197 K N -0.914 119.389 120.400 -0.161 0.000 2.354 197 K HA 0.243 4.563 4.320 -0.000 0.000 0.194 197 K C 0.401 176.678 176.600 -0.539 0.000 1.045 197 K CA 0.560 56.308 56.287 -0.898 0.000 1.026 197 K CB 0.272 32.285 32.500 -0.812 0.000 0.866 197 K HN 0.605 nan 8.250 nan 0.000 0.530 198 S N 1.005 116.715 115.700 0.017 0.000 3.524 198 S HA -0.172 4.298 4.470 -0.000 0.000 0.377 198 S C -0.535 174.029 174.600 -0.059 0.000 0.949 198 S CA 0.971 59.227 58.200 0.092 0.000 1.264 198 S CB -0.910 62.323 63.200 0.054 0.000 0.918 198 S HN 0.622 nan 8.310 nan 0.000 0.517 199 K N 0.295 120.663 120.400 -0.052 0.000 1.728 199 K HA 0.502 4.822 4.320 -0.000 0.000 0.279 199 K C -2.757 173.851 176.600 0.013 0.000 0.920 199 K CA -1.888 54.380 56.287 -0.032 0.000 0.809 199 K CB -0.205 32.273 32.500 -0.038 0.000 2.860 199 K HN 0.018 nan 8.250 nan 0.000 1.027 200 P HA -0.103 nan 4.420 nan 0.000 0.261 200 P C 0.060 177.387 177.300 0.045 0.000 1.165 200 P CA 0.733 63.859 63.100 0.044 0.000 0.759 200 P CB 0.293 32.030 31.700 0.062 0.000 0.772 201 L N 3.146 124.387 121.223 0.032 0.000 5.308 201 L HA -0.321 4.019 4.340 -0.000 0.000 0.421 201 L C 0.237 177.114 176.870 0.011 0.000 0.927 201 L CA 2.136 56.994 54.840 0.030 0.000 1.529 201 L CB -2.257 39.844 42.059 0.069 0.000 1.599 201 L HN 0.655 nan 8.230 nan 0.000 0.629 202 D N -0.819 119.584 120.400 0.006 0.000 2.812 202 D HA -0.205 4.435 4.640 -0.000 0.000 0.237 202 D C 0.853 177.117 176.300 -0.060 0.000 1.162 202 D CA 1.048 55.029 54.000 -0.032 0.000 0.740 202 D CB -0.839 39.936 40.800 -0.042 0.000 1.000 202 D HN 0.659 nan 8.370 nan 0.000 0.416 203 N N -0.194 118.489 118.700 -0.028 0.000 2.414 203 N HA 0.219 4.959 4.740 -0.000 0.000 0.177 203 N C 1.725 177.202 175.510 -0.056 0.000 1.062 203 N CA 0.861 53.888 53.050 -0.038 0.000 0.890 203 N CB -0.095 38.394 38.487 0.003 0.000 1.070 203 N HN 0.415 nan 8.380 nan 0.000 0.454 204 A N -0.000 122.802 122.820 -0.031 0.000 2.070 204 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 204 A C 2.355 179.841 177.584 -0.163 0.000 1.159 204 A CA 1.684 53.720 52.037 -0.001 0.000 0.656 204 A CB -0.526 18.523 19.000 0.081 0.000 0.800 204 A HN 0.272 nan 8.150 nan 0.000 0.453 205 S N -0.361 115.059 115.700 -0.467 0.000 2.357 205 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 205 S C 2.132 176.451 174.600 -0.468 0.000 1.031 205 S CA 1.721 59.300 58.200 -1.035 0.000 0.982 205 S CB -0.302 62.249 63.200 -1.082 0.000 0.853 205 S HN 0.645 nan 8.310 nan 0.000 0.458 206 K N 0.367 120.605 120.400 -0.269 0.000 2.057 206 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 206 K C 2.268 178.803 176.600 -0.109 0.000 1.049 206 K CA 1.496 57.691 56.287 -0.154 0.000 0.931 206 K CB -0.337 32.098 32.500 -0.108 0.000 0.714 206 K HN 0.471 nan 8.250 nan 0.000 0.440 207 L N 0.360 121.528 121.223 -0.091 0.000 2.072 207 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 207 L C 2.346 179.190 176.870 -0.044 0.000 1.079 207 L CA 1.385 56.193 54.840 -0.054 0.000 0.752 207 L CB -0.354 41.697 42.059 -0.014 0.000 0.906 207 L HN 0.250 nan 8.230 nan 0.000 0.436 208 A N -0.648 122.156 122.820 -0.026 0.000 1.978 208 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 208 A C 2.233 179.837 177.584 0.033 0.000 1.170 208 A CA 2.109 54.174 52.037 0.046 0.000 0.636 208 A CB -0.649 18.467 19.000 0.193 0.000 0.810 208 A HN 0.675 nan 8.150 nan 0.000 0.448 209 Q N -0.605 119.187 119.800 -0.013 0.000 2.123 209 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 209 Q C 1.976 177.971 176.000 -0.009 0.000 0.966 209 Q CA 1.054 56.857 55.803 -0.001 0.000 0.845 209 Q CB -0.180 28.541 28.738 -0.029 0.000 0.907 209 Q HN 0.685 nan 8.270 nan 0.000 0.439 210 L N -0.255 120.950 121.223 -0.030 0.000 2.017 210 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 210 L C 2.419 179.270 176.870 -0.031 0.000 1.073 210 L CA 0.892 55.711 54.840 -0.035 0.000 0.745 210 L CB -0.481 41.548 42.059 -0.049 0.000 0.894 210 L HN 0.128 nan 8.230 nan 0.000 0.432 211 V N -0.015 119.876 119.914 -0.039 0.000 2.287 211 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 211 V C 2.561 178.653 176.094 -0.003 0.000 1.053 211 V CA 2.094 64.370 62.300 -0.041 0.000 1.027 211 V CB -0.461 31.325 31.823 -0.061 0.000 0.646 211 V HN 0.483 nan 8.190 nan 0.000 0.447 212 E N 0.817 121.029 120.200 0.020 0.000 2.085 212 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 212 E C 2.046 178.671 176.600 0.042 0.000 0.994 212 E CA 1.877 58.304 56.400 0.046 0.000 0.801 212 E CB -0.302 29.438 29.700 0.066 0.000 0.743 212 E HN 0.479 nan 8.360 nan 0.000 0.453 213 K N 0.671 121.085 120.400 0.023 0.000 2.062 213 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 213 K C 1.879 178.487 176.600 0.014 0.000 1.051 213 K CA 1.580 57.877 56.287 0.016 0.000 0.941 213 K CB -0.032 32.467 32.500 -0.001 0.000 0.719 213 K HN 0.037 nan 8.250 nan 0.000 0.440 214 K N 0.201 120.603 120.400 0.003 0.000 2.103 214 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 214 K C 1.827 178.455 176.600 0.046 0.000 1.052 214 K CA 1.388 57.674 56.287 -0.001 0.000 0.945 214 K CB -0.220 32.267 32.500 -0.022 0.000 0.722 214 K HN 0.214 nan 8.250 nan 0.000 0.443 215 L N -0.391 120.868 121.223 0.060 0.000 2.395 215 L HA 0.092 4.432 4.340 -0.000 0.000 0.218 215 L C 1.963 178.976 176.870 0.239 0.000 1.130 215 L CA 1.415 56.332 54.840 0.129 0.000 0.826 215 L CB -0.610 41.511 42.059 0.103 0.000 0.941 215 L HN 0.061 nan 8.230 nan 0.000 0.451 216 E N 0.249 120.539 120.200 0.151 0.000 2.107 216 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 216 E C 1.171 177.841 176.600 0.117 0.000 0.982 216 E CA 1.156 57.640 56.400 0.141 0.000 0.809 216 E CB 0.088 29.836 29.700 0.080 0.000 0.756 216 E HN 0.565 nan 8.360 nan 0.000 0.459 217 D N -0.316 120.124 120.400 0.067 0.000 2.224 217 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 217 D C 1.533 177.830 176.300 -0.005 0.000 0.965 217 D CA 0.589 54.591 54.000 0.004 0.000 0.852 217 D CB -0.339 40.431 40.800 -0.051 0.000 0.947 217 D HN 0.290 nan 8.370 nan 0.000 0.494 218 Y N 0.618 120.870 120.300 -0.080 0.000 2.070 218 Y HA -0.290 4.260 4.550 -0.000 0.000 0.279 218 Y C 1.631 177.472 175.900 -0.098 0.000 1.134 218 Y CA 1.609 59.637 58.100 -0.120 0.000 1.113 218 Y CB -0.558 37.795 38.460 -0.178 0.000 0.981 218 Y HN -0.098 nan 8.280 nan 0.000 0.487 219 Y N 1.014 121.447 120.300 0.221 0.000 2.680 219 Y HA -0.019 4.531 4.550 -0.000 0.000 0.303 219 Y C 1.667 177.565 175.900 -0.004 0.000 1.166 219 Y CA 0.825 58.986 58.100 0.103 0.000 1.344 219 Y CB -0.411 38.160 38.460 0.186 0.000 1.002 219 Y HN 0.158 nan 8.280 nan 0.000 0.537 220 K N -0.524 119.918 120.400 0.070 0.000 2.444 220 K HA 0.180 4.500 4.320 -0.000 0.000 0.193 220 K C 0.895 177.467 176.600 -0.046 0.000 1.024 220 K CA 0.496 56.792 56.287 0.015 0.000 1.077 220 K CB 0.345 32.844 32.500 -0.002 0.000 0.833 220 K HN 0.390 nan 8.250 nan 0.000 0.517 221 I N -1.716 118.788 120.570 -0.112 0.000 5.139 221 I HA -0.132 4.038 4.170 -0.000 0.000 0.334 221 I C 1.094 177.102 176.117 -0.181 0.000 1.217 221 I CA 0.043 61.256 61.300 -0.145 0.000 1.448 221 I CB 0.429 38.324 38.000 -0.176 0.000 1.538 221 I HN -0.036 nan 8.210 nan 0.000 0.527 222 D N 2.251 122.444 120.400 -0.343 0.000 4.769 222 D HA -0.373 4.267 4.640 -0.000 0.000 0.434 222 D C 1.126 177.343 176.300 -0.138 0.000 1.471 222 D CA 2.866 56.660 54.000 -0.342 0.000 1.222 222 D CB 0.012 40.767 40.800 -0.075 0.000 0.703 222 D HN 0.575 nan 8.370 nan 0.000 0.751 223 E N -2.660 117.506 120.200 -0.056 0.000 4.459 223 E HA -0.314 4.036 4.350 -0.000 0.000 0.312 223 E C 1.415 178.016 176.600 0.002 0.000 0.670 223 E CA 1.314 57.699 56.400 -0.024 0.000 1.781 223 E CB -1.245 28.436 29.700 -0.031 0.000 1.823 223 E HN 0.472 nan 8.360 nan 0.000 0.453 224 K N 0.908 121.319 120.400 0.019 0.000 2.147 224 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 224 K C 1.509 178.141 176.600 0.053 0.000 1.049 224 K CA 1.881 58.194 56.287 0.043 0.000 0.936 224 K CB -0.216 32.329 32.500 0.076 0.000 0.722 224 K HN 0.359 nan 8.250 nan 0.000 0.446 225 G N 1.039 109.878 108.800 0.066 0.000 2.196 225 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.268 225 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.268 225 G C 0.636 175.575 174.900 0.064 0.000 0.975 225 G CA 0.495 45.631 45.100 0.060 0.000 0.648 225 G HN 0.360 nan 8.290 nan 0.000 0.538 226 L N -0.513 120.762 121.223 0.087 0.000 2.179 226 L HA 0.323 4.663 4.340 -0.000 0.000 0.208 226 L C 0.773 177.675 176.870 0.055 0.000 1.096 226 L CA 1.526 56.407 54.840 0.068 0.000 0.779 226 L CB -0.271 41.835 42.059 0.079 0.000 0.922 226 L HN 0.261 nan 8.230 nan 0.000 0.443 227 I N 0.360 120.984 120.570 0.090 0.000 2.608 227 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 227 I C -0.333 175.719 176.117 -0.109 0.000 1.049 227 I CA -0.500 60.770 61.300 -0.051 0.000 1.063 227 I CB 1.927 39.838 38.000 -0.148 0.000 1.248 227 I HN 0.004 nan 8.210 nan 0.000 0.424 228 K N 3.513 123.798 120.400 -0.191 0.000 2.570 228 K HA 0.547 4.867 4.320 -0.000 0.000 0.256 228 K C -0.603 175.912 176.600 -0.141 0.000 0.939 228 K CA -0.190 56.013 56.287 -0.140 0.000 0.833 228 K CB 1.989 34.482 32.500 -0.011 0.000 1.318 228 K HN 0.952 nan 8.250 nan 0.000 0.433 229 G N 3.324 112.046 108.800 -0.130 0.000 2.722 229 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 229 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 229 G C -1.059 173.766 174.900 -0.124 0.000 1.282 229 G CA -0.797 44.250 45.100 -0.088 0.000 0.817 229 G HN 0.469 nan 8.290 nan 0.000 0.605 230 K N 1.077 121.432 120.400 -0.075 0.000 2.524 230 K HA 0.269 4.589 4.320 -0.000 0.000 0.279 230 K C 1.401 177.957 176.600 -0.073 0.000 0.993 230 K CA 0.968 57.216 56.287 -0.065 0.000 1.030 230 K CB 0.202 32.689 32.500 -0.021 0.000 0.891 230 K HN 1.061 nan 8.250 nan 0.000 0.488 231 T N -0.795 113.713 114.554 -0.077 0.000 2.910 231 T HA 0.205 4.555 4.350 -0.000 0.000 0.279 231 T C 0.392 175.070 174.700 -0.036 0.000 0.989 231 T CA -0.922 61.140 62.100 -0.063 0.000 0.968 231 T CB 0.890 69.713 68.868 -0.074 0.000 1.135 231 T HN 0.256 nan 8.240 nan 0.000 0.562 232 Q N 1.880 121.662 119.800 -0.030 0.000 3.184 232 Q HA 0.321 4.661 4.340 -0.000 0.000 0.288 232 Q C -0.073 175.916 176.000 -0.017 0.000 1.412 232 Q CA -0.151 55.640 55.803 -0.020 0.000 0.991 232 Q CB -0.754 27.972 28.738 -0.019 0.000 1.688 232 Q HN 0.845 nan 8.270 nan 0.000 0.554 233 S N -0.070 115.621 115.700 -0.015 0.000 2.565 233 S HA 0.630 5.100 4.470 -0.000 0.000 0.269 233 S C -1.072 173.524 174.600 -0.007 0.000 1.153 233 S CA -1.043 57.148 58.200 -0.015 0.000 0.835 233 S CB 1.894 65.082 63.200 -0.020 0.000 1.122 233 S HN 0.344 nan 8.310 nan 0.000 0.462 234 Q N 0.928 120.719 119.800 -0.015 0.000 2.347 234 Q HA 0.755 5.095 4.340 -0.000 0.000 0.271 234 Q C -1.750 174.237 176.000 -0.021 0.000 1.064 234 Q CA -1.119 54.676 55.803 -0.013 0.000 0.800 234 Q CB 1.829 30.551 28.738 -0.028 0.000 1.304 234 Q HN 0.610 nan 8.270 nan 0.000 0.438 235 L N 3.481 124.699 121.223 -0.008 0.000 2.296 235 L HA 0.496 4.836 4.340 -0.000 0.000 0.286 235 L C -1.618 175.265 176.870 0.021 0.000 1.023 235 L CA -0.640 54.206 54.840 0.009 0.000 0.812 235 L CB 1.297 43.363 42.059 0.012 0.000 1.223 235 L HN 0.766 nan 8.230 nan 0.000 0.421 236 L N 6.279 127.528 121.223 0.043 0.000 2.282 236 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 236 L C -0.662 176.302 176.870 0.157 0.000 1.033 236 L CA -0.636 54.256 54.840 0.086 0.000 0.807 236 L CB 1.501 43.578 42.059 0.030 0.000 1.209 236 L HN 0.456 nan 8.230 nan 0.000 0.423 237 I N 5.923 126.608 120.570 0.191 0.000 2.330 237 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 237 I C 0.018 176.225 176.117 0.150 0.000 1.001 237 I CA -0.450 60.977 61.300 0.212 0.000 1.193 237 I CB 1.299 39.418 38.000 0.198 0.000 1.345 237 I HN 0.470 nan 8.210 nan 0.000 0.461 238 I N 1.619 122.225 120.570 0.061 0.000 2.534 238 I HA 0.532 4.702 4.170 -0.000 0.000 0.288 238 I C -0.453 175.621 176.117 -0.071 0.000 1.077 238 I CA -0.710 60.526 61.300 -0.106 0.000 1.051 238 I CB 2.499 40.263 38.000 -0.393 0.000 1.234 238 I HN 0.263 nan 8.210 nan 0.000 0.425 239 D N 4.018 124.432 120.400 0.022 0.000 2.357 239 D HA 0.123 4.763 4.640 -0.000 0.000 0.242 239 D C 1.019 177.457 176.300 0.230 0.000 1.153 239 D CA -0.136 53.944 54.000 0.133 0.000 0.918 239 D CB 1.454 42.342 40.800 0.146 0.000 1.181 239 D HN 0.547 nan 8.370 nan 0.000 0.435 240 R N 1.640 122.286 120.500 0.244 0.000 2.189 240 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 240 R C 1.776 178.228 176.300 0.254 0.000 1.092 240 R CA 1.025 57.285 56.100 0.266 0.000 0.989 240 R CB -0.749 29.627 30.300 0.127 0.000 0.876 240 R HN 0.607 nan 8.270 nan 0.000 0.457 241 G N 0.444 109.343 108.800 0.166 0.000 2.470 241 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 241 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 241 G C 1.244 176.225 174.900 0.135 0.000 1.121 241 G CA 0.522 45.689 45.100 0.112 0.000 0.766 241 G HN 0.480 nan 8.290 nan 0.000 0.553 242 F N 0.842 120.830 119.950 0.063 0.000 2.307 242 F HA 0.099 4.626 4.527 -0.000 0.000 0.301 242 F C 0.115 176.001 175.800 0.144 0.000 1.076 242 F CA 0.597 58.669 58.000 0.121 0.000 1.383 242 F CB 0.030 39.150 39.000 0.200 0.000 1.055 242 F HN 0.110 nan 8.300 nan 0.000 0.526 243 D N -0.187 119.799 120.400 -0.690 0.000 2.474 243 D HA 0.235 4.875 4.640 -0.000 0.000 0.234 243 D C -2.510 173.562 176.300 -0.380 0.000 1.323 243 D CA -1.674 51.938 54.000 -0.646 0.000 0.915 243 D CB 1.155 41.391 40.800 -0.939 0.000 1.487 243 D HN -0.148 nan 8.370 nan 0.000 0.524 244 P HA -0.017 nan 4.420 nan 0.000 0.224 244 P C 1.610 178.570 177.300 -0.567 0.000 1.157 244 P CA 0.197 62.993 63.100 -0.508 0.000 0.799 244 P CB 0.547 31.448 31.700 -1.332 0.000 0.809 245 V N 0.055 119.628 119.914 -0.570 0.000 2.255 245 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 245 V C 2.186 178.036 176.094 -0.406 0.000 1.051 245 V CA 2.459 64.441 62.300 -0.531 0.000 1.018 245 V CB -1.718 29.650 31.823 -0.758 0.000 0.641 245 V HN 0.140 nan 8.190 nan 0.000 0.445 246 S N 0.276 115.863 115.700 -0.188 0.000 2.507 246 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 246 S C 1.966 176.582 174.600 0.027 0.000 0.988 246 S CA 1.470 59.680 58.200 0.017 0.000 0.944 246 S CB -0.427 62.966 63.200 0.323 0.000 0.762 246 S HN 0.896 nan 8.310 nan 0.000 0.526 247 T N -1.858 112.706 114.554 0.017 0.000 3.081 247 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 247 T C 1.387 176.143 174.700 0.093 0.000 1.113 247 T CA 0.281 62.437 62.100 0.094 0.000 1.082 247 T CB 0.006 68.990 68.868 0.194 0.000 0.939 247 T HN 0.215 nan 8.240 nan 0.000 0.506 248 V N 0.430 120.363 119.914 0.032 0.000 3.212 248 V HA 0.392 4.512 4.120 -0.000 0.000 0.244 248 V C 1.059 177.133 176.094 -0.032 0.000 1.151 248 V CA -0.149 62.170 62.300 0.032 0.000 1.119 248 V CB -0.117 31.738 31.823 0.054 0.000 0.838 248 V HN 0.407 nan 8.190 nan 0.000 0.470 249 L N 1.193 122.373 121.223 -0.071 0.000 2.540 249 L HA 0.050 4.390 4.340 -0.000 0.000 0.276 249 L C 0.265 177.148 176.870 0.021 0.000 1.212 249 L CA 0.121 54.938 54.840 -0.038 0.000 0.893 249 L CB -0.296 41.679 42.059 -0.140 0.000 1.138 249 L HN 0.344 nan 8.230 nan 0.000 0.491 250 H N 2.078 121.178 119.070 0.051 0.000 3.432 250 H HA 0.054 4.610 4.556 -0.000 0.000 0.252 250 H C 0.059 175.445 175.328 0.097 0.000 1.397 250 H CA -0.128 55.969 56.048 0.082 0.000 1.549 250 H CB -0.186 29.629 29.762 0.088 0.000 1.699 250 H HN 0.435 nan 8.280 nan 0.000 0.523 251 E N 1.885 122.178 120.200 0.155 0.000 2.398 251 E HA 0.026 4.376 4.350 -0.000 0.000 0.263 251 E C 0.504 177.169 176.600 0.108 0.000 1.046 251 E CA 0.073 56.563 56.400 0.150 0.000 0.908 251 E CB 0.663 30.450 29.700 0.145 0.000 0.963 251 E HN 0.581 nan 8.360 nan 0.000 0.431 252 L N 1.639 122.902 121.223 0.066 0.000 2.556 252 L HA 0.110 4.450 4.340 -0.000 0.000 0.226 252 L C 0.802 177.463 176.870 -0.348 0.000 1.089 252 L CA 0.152 54.909 54.840 -0.137 0.000 0.864 252 L CB -0.128 41.887 42.059 -0.074 0.000 1.067 252 L HN 0.592 nan 8.230 nan 0.000 0.477 253 T N -2.687 111.798 114.554 -0.114 0.000 2.940 253 T HA -0.048 4.302 4.350 -0.000 0.000 0.309 253 T C 1.060 175.736 174.700 -0.041 0.000 1.056 253 T CA -0.200 61.859 62.100 -0.069 0.000 1.137 253 T CB 0.700 69.602 68.868 0.057 0.000 0.976 253 T HN 0.086 nan 8.240 nan 0.000 0.547 254 F N 1.659 121.494 119.950 -0.192 0.000 2.024 254 F HA -0.268 4.259 4.527 -0.000 0.000 0.296 254 F C 2.963 178.675 175.800 -0.146 0.000 1.137 254 F CA 2.133 60.019 58.000 -0.190 0.000 1.200 254 F CB -0.200 38.666 39.000 -0.223 0.000 0.954 254 F HN 0.801 nan 8.300 nan 0.000 0.497 255 Q N 0.112 119.961 119.800 0.081 0.000 2.029 255 Q HA -0.308 4.032 4.340 -0.000 0.000 0.209 255 Q C 2.221 178.232 176.000 0.019 0.000 0.999 255 Q CA 1.968 57.766 55.803 -0.008 0.000 0.857 255 Q CB -0.478 28.071 28.738 -0.316 0.000 0.926 255 Q HN 0.550 nan 8.270 nan 0.000 0.415 256 A N 0.556 123.388 122.820 0.020 0.000 1.978 256 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 256 A C 2.010 179.659 177.584 0.109 0.000 1.170 256 A CA 1.690 53.786 52.037 0.098 0.000 0.636 256 A CB -0.612 18.491 19.000 0.171 0.000 0.810 256 A HN 0.624 nan 8.150 nan 0.000 0.448 257 M N -0.815 118.838 119.600 0.088 0.000 2.200 257 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 257 M C 2.235 178.583 176.300 0.079 0.000 1.066 257 M CA 1.376 56.714 55.300 0.064 0.000 1.127 257 M CB -0.175 32.401 32.600 -0.039 0.000 1.379 257 M HN 0.426 nan 8.290 nan 0.000 0.420 258 A N -0.417 122.476 122.820 0.122 0.000 1.854 258 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 258 A C 1.681 179.265 177.584 -0.001 0.000 1.192 258 A CA 1.302 53.377 52.037 0.063 0.000 0.611 258 A CB -1.333 17.724 19.000 0.094 0.000 0.832 258 A HN 0.613 nan 8.150 nan 0.000 0.442 259 Y N 0.166 120.421 120.300 -0.074 0.000 2.483 259 Y HA -0.168 4.382 4.550 0.000 0.000 0.291 259 Y C 2.257 178.176 175.900 0.031 0.000 1.143 259 Y CA 1.410 59.467 58.100 -0.072 0.000 1.289 259 Y CB -0.162 38.107 38.460 -0.319 0.000 0.983 259 Y HN 0.491 nan 8.280 nan 0.000 0.556 260 D N -0.438 120.063 120.400 0.167 0.000 2.146 260 D HA -0.082 4.558 4.640 -0.000 0.000 0.209 260 D C 1.964 178.323 176.300 0.098 0.000 0.973 260 D CA 1.221 55.297 54.000 0.126 0.000 0.860 260 D CB -0.216 40.635 40.800 0.085 0.000 1.015 260 D HN 0.231 nan 8.370 nan 0.000 0.465 261 L N 0.052 121.333 121.223 0.097 0.000 2.022 261 L HA 0.085 4.425 4.340 -0.000 0.000 0.204 261 L C 1.123 178.040 176.870 0.078 0.000 1.076 261 L CA 0.274 55.172 54.840 0.098 0.000 0.749 261 L CB -0.679 41.441 42.059 0.102 0.000 0.903 261 L HN -0.002 nan 8.230 nan 0.000 0.439 262 L N 0.835 122.094 121.223 0.061 0.000 2.461 262 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 262 L C -2.007 174.900 176.870 0.061 0.000 1.197 262 L CA -1.535 53.347 54.840 0.071 0.000 0.836 262 L CB -0.196 41.903 42.059 0.067 0.000 1.105 262 L HN -0.110 nan 8.230 nan 0.000 0.477 263 P HA 0.213 nan 4.420 nan 0.000 0.244 263 P C -0.670 176.655 177.300 0.042 0.000 1.769 263 P CA 0.295 63.429 63.100 0.057 0.000 1.102 263 P CB -0.232 31.497 31.700 0.049 0.000 1.937 264 I N 2.327 122.895 120.570 -0.004 0.000 2.347 264 I HA 0.223 4.393 4.170 -0.000 0.000 0.283 264 I C 0.583 176.703 176.117 0.006 0.000 1.058 264 I CA -0.359 60.892 61.300 -0.081 0.000 1.202 264 I CB 0.906 38.649 38.000 -0.428 0.000 1.386 264 I HN 0.079 nan 8.210 nan 0.000 0.475 265 E N 5.373 125.597 120.200 0.040 0.000 2.214 265 E HA 0.332 4.682 4.350 -0.000 0.000 0.274 265 E C -0.125 176.525 176.600 0.083 0.000 0.977 265 E CA -0.754 55.698 56.400 0.086 0.000 0.827 265 E CB 0.942 30.681 29.700 0.066 0.000 1.130 265 E HN 0.410 nan 8.360 nan 0.000 0.394 266 N N 2.692 121.463 118.700 0.120 0.000 2.725 266 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 266 N C -0.812 174.756 175.510 0.097 0.000 1.103 266 N CA 1.241 54.353 53.050 0.103 0.000 0.707 266 N CB -1.020 37.505 38.487 0.063 0.000 1.043 266 N HN 0.718 nan 8.380 nan 0.000 0.553 267 D N -2.824 117.672 120.400 0.160 0.000 3.067 267 D HA -0.192 4.448 4.640 -0.000 0.000 0.216 267 D C 0.061 176.339 176.300 -0.037 0.000 1.162 267 D CA 1.925 56.002 54.000 0.128 0.000 0.960 267 D CB -1.749 39.122 40.800 0.118 0.000 1.129 267 D HN 0.727 nan 8.370 nan 0.000 0.408 268 T N -1.138 113.405 114.554 -0.018 0.000 2.781 268 T HA 0.356 4.706 4.350 -0.000 0.000 0.305 268 T C -0.140 174.560 174.700 -0.000 0.000 1.001 268 T CA -0.917 61.169 62.100 -0.024 0.000 0.950 268 T CB 0.995 69.855 68.868 -0.013 0.000 0.955 268 T HN 0.104 nan 8.240 nan 0.000 0.471 269 Y N 3.922 124.145 120.300 -0.128 0.000 2.537 269 Y HA 0.283 4.833 4.550 -0.000 0.000 0.339 269 Y C 0.281 176.197 175.900 0.027 0.000 1.066 269 Y CA -1.052 56.993 58.100 -0.092 0.000 1.357 269 Y CB 0.409 38.796 38.460 -0.123 0.000 1.175 269 Y HN 0.578 nan 8.280 nan 0.000 0.525 270 K N 7.968 128.113 120.400 -0.425 0.000 2.312 270 K HA 0.222 4.542 4.320 -0.000 0.000 0.287 270 K C -1.204 174.987 176.600 -0.682 0.000 1.062 270 K CA -0.175 55.864 56.287 -0.414 0.000 0.934 270 K CB 0.574 32.943 32.500 -0.218 0.000 1.027 270 K HN 0.759 nan 8.250 nan 0.000 0.478 271 Y N -0.702 119.234 120.300 -0.607 0.000 2.689 271 Y HA 0.592 5.142 4.550 -0.000 0.000 0.333 271 Y C 0.154 175.930 175.900 -0.207 0.000 1.190 271 Y CA -0.871 56.962 58.100 -0.444 0.000 1.063 271 Y CB 1.001 39.207 38.460 -0.424 0.000 1.294 271 Y HN 0.310 nan 8.280 nan 0.000 0.466 272 K N -0.161 120.068 120.400 -0.285 0.000 2.603 272 K HA 0.525 4.845 4.320 -0.000 0.000 0.205 272 K C 0.953 177.484 176.600 -0.115 0.000 1.500 272 K CA 0.955 57.045 56.287 -0.328 0.000 1.059 272 K CB -0.927 31.474 32.500 -0.166 0.000 1.416 272 K HN 1.605 nan 8.250 nan 0.000 0.562 279 E N -1.093 118.971 120.200 -0.227 0.000 2.552 279 E HA 0.614 4.964 4.350 -0.000 0.000 0.297 279 E C -0.748 175.923 176.600 0.118 0.000 1.038 279 E CA -0.534 55.849 56.400 -0.028 0.000 0.856 279 E CB 1.298 30.948 29.700 -0.082 0.000 1.222 279 E HN 1.524 nan 8.360 nan 0.000 0.422 280 A N 1.890 124.814 122.820 0.172 0.000 2.354 280 A HA 0.764 5.084 4.320 -0.000 0.000 0.321 280 A C -0.816 176.773 177.584 0.009 0.000 1.125 280 A CA -0.795 51.298 52.037 0.093 0.000 0.799 280 A CB 1.869 20.909 19.000 0.067 0.000 1.293 280 A HN 0.368 nan 8.150 nan 0.000 0.452 281 V N 1.730 121.614 119.914 -0.049 0.000 2.417 281 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 281 V C -0.356 175.593 176.094 -0.241 0.000 1.024 281 V CA -0.255 61.979 62.300 -0.110 0.000 0.861 281 V CB 1.310 33.090 31.823 -0.073 0.000 0.985 281 V HN 0.683 nan 8.190 nan 0.000 0.436 282 L N 6.556 127.519 121.223 -0.433 0.000 2.328 282 L HA 0.492 4.832 4.340 -0.000 0.000 0.280 282 L C 0.488 176.790 176.870 -0.946 0.000 1.111 282 L CA 0.028 54.249 54.840 -1.032 0.000 0.909 282 L CB -0.273 40.905 42.059 -1.470 0.000 1.277 282 L HN 0.805 nan 8.230 nan 0.000 0.433 283 E N 0.850 120.785 120.200 -0.442 0.000 2.423 283 E HA 0.331 4.681 4.350 -0.000 0.000 0.269 283 E C -0.399 176.346 176.600 0.242 0.000 0.948 283 E CA -0.895 55.474 56.400 -0.052 0.000 0.802 283 E CB 1.339 31.031 29.700 -0.013 0.000 1.339 283 E HN 0.263 nan 8.360 nan 0.000 0.445 284 E N -0.029 120.339 120.200 0.281 0.000 2.482 284 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 284 E C 0.215 176.918 176.600 0.171 0.000 1.047 284 E CA 0.356 56.920 56.400 0.274 0.000 0.869 284 E CB 0.081 29.923 29.700 0.236 0.000 0.836 284 E HN 0.380 nan 8.360 nan 0.000 0.520 285 D N 0.935 121.406 120.400 0.118 0.000 2.363 285 D HA -0.103 4.537 4.640 -0.000 0.000 0.226 285 D C 1.280 177.630 176.300 0.083 0.000 1.020 285 D CA 0.586 54.628 54.000 0.071 0.000 0.892 285 D CB 0.103 40.919 40.800 0.028 0.000 0.900 285 D HN 0.112 nan 8.370 nan 0.000 0.531 286 D N 1.188 121.669 120.400 0.135 0.000 2.183 286 D HA -0.124 4.516 4.640 -0.000 0.000 0.205 286 D C 0.971 177.367 176.300 0.159 0.000 0.962 286 D CA 1.388 55.483 54.000 0.159 0.000 0.849 286 D CB 0.309 41.260 40.800 0.252 0.000 0.978 286 D HN 0.182 nan 8.370 nan 0.000 0.488 287 D N -1.305 119.189 120.400 0.157 0.000 2.531 287 D HA -0.290 4.350 4.640 -0.000 0.000 0.176 287 D C 1.307 177.667 176.300 0.100 0.000 1.217 287 D CA 1.727 55.794 54.000 0.112 0.000 1.125 287 D CB -1.434 39.415 40.800 0.082 0.000 1.148 287 D HN 0.414 nan 8.370 nan 0.000 0.430 288 L N -2.235 119.078 121.223 0.150 0.000 2.145 288 L HA 0.173 4.513 4.340 -0.000 0.000 0.201 288 L C 2.329 179.217 176.870 0.031 0.000 1.075 288 L CA 0.978 55.902 54.840 0.141 0.000 0.773 288 L CB -0.580 41.639 42.059 0.267 0.000 0.936 288 L HN 0.257 nan 8.230 nan 0.000 0.451 289 W N 0.176 121.382 121.300 -0.158 0.000 2.961 289 W HA -0.005 4.655 4.660 -0.000 0.000 0.240 289 W C 1.466 177.828 176.519 -0.262 0.000 1.305 289 W CA 0.580 57.659 57.345 -0.444 0.000 1.465 289 W CB 0.169 29.407 29.460 -0.369 0.000 1.135 289 W HN -0.174 nan 8.180 nan 0.000 0.688 290 V N 0.233 120.068 119.914 -0.132 0.000 2.949 290 V HA 0.012 4.132 4.120 -0.000 0.000 0.245 290 V C 1.938 177.937 176.094 -0.158 0.000 1.086 290 V CA 1.140 63.339 62.300 -0.168 0.000 1.097 290 V CB -0.278 31.562 31.823 0.028 0.000 0.762 290 V HN -0.015 nan 8.190 nan 0.000 0.470 291 R N -0.612 119.821 120.500 -0.110 0.000 2.317 291 R HA 0.205 4.545 4.340 -0.000 0.000 0.208 291 R C 1.236 177.471 176.300 -0.107 0.000 0.914 291 R CA 0.279 56.339 56.100 -0.066 0.000 1.060 291 R CB 0.536 30.827 30.300 -0.015 0.000 1.015 291 R HN 0.378 nan 8.270 nan 0.000 0.498 292 V N 0.015 119.785 119.914 -0.240 0.000 3.350 292 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 292 V C 2.039 177.905 176.094 -0.381 0.000 1.363 292 V CA 0.293 62.450 62.300 -0.238 0.000 1.162 292 V CB 0.237 31.910 31.823 -0.251 0.000 0.947 292 V HN 0.237 nan 8.190 nan 0.000 0.454 293 R N 0.815 120.839 120.500 -0.794 0.000 2.154 293 R HA -0.229 4.111 4.340 -0.000 0.000 0.248 293 R C 1.608 177.505 176.300 -0.672 0.000 1.155 293 R CA 2.522 57.986 56.100 -1.060 0.000 0.979 293 R CB -0.625 28.532 30.300 -1.905 0.000 0.869 293 R HN 0.596 nan 8.270 nan 0.000 0.452 294 H N -0.477 118.383 119.070 -0.350 0.000 2.575 294 H HA 0.290 4.846 4.556 -0.000 0.000 0.267 294 H C 0.098 175.377 175.328 -0.081 0.000 0.966 294 H CA -0.350 55.568 56.048 -0.216 0.000 1.165 294 H CB 0.402 30.000 29.762 -0.274 0.000 1.433 294 H HN 0.054 nan 8.280 nan 0.000 0.544 295 R N 1.264 121.783 120.500 0.032 0.000 2.357 295 R HA 0.084 4.424 4.340 -0.000 0.000 0.296 295 R C -0.075 176.281 176.300 0.094 0.000 1.052 295 R CA -0.592 55.553 56.100 0.074 0.000 0.988 295 R CB 0.796 31.130 30.300 0.057 0.000 1.025 295 R HN 0.357 nan 8.270 nan 0.000 0.469 296 H N 2.400 121.477 119.070 0.013 0.000 3.016 296 H HA -0.100 4.456 4.556 -0.000 0.000 0.345 296 H C 1.186 176.457 175.328 -0.094 0.000 1.066 296 H CA 0.433 56.466 56.048 -0.025 0.000 1.390 296 H CB 0.899 30.653 29.762 -0.014 0.000 1.344 296 H HN 0.530 nan 8.280 nan 0.000 0.605 297 I N 4.499 124.733 120.570 -0.560 0.000 2.530 297 I HA -0.221 3.949 4.170 -0.000 0.000 0.257 297 I C 2.136 178.130 176.117 -0.205 0.000 1.179 297 I CA 1.761 62.762 61.300 -0.498 0.000 1.440 297 I CB -0.752 36.821 38.000 -0.713 0.000 1.087 297 I HN 0.683 nan 8.210 nan 0.000 0.440 298 A N -0.415 122.507 122.820 0.169 0.000 1.832 298 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 298 A C 2.265 179.866 177.584 0.029 0.000 1.200 298 A CA 2.008 54.099 52.037 0.090 0.000 0.610 298 A CB -1.223 17.842 19.000 0.108 0.000 0.842 298 A HN 0.237 nan 8.150 nan 0.000 0.444 299 V N 0.091 120.041 119.914 0.060 0.000 2.720 299 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 299 V C 2.477 178.588 176.094 0.028 0.000 1.082 299 V CA 1.516 63.835 62.300 0.033 0.000 1.101 299 V CB -0.899 30.948 31.823 0.041 0.000 0.693 299 V HN 0.339 nan 8.190 nan 0.000 0.479 300 V N 0.366 120.294 119.914 0.023 0.000 2.231 300 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 300 V C 2.341 178.456 176.094 0.034 0.000 1.054 300 V CA 2.446 64.771 62.300 0.042 0.000 1.015 300 V CB -0.588 31.245 31.823 0.015 0.000 0.638 300 V HN 0.491 nan 8.190 nan 0.000 0.444 301 L N -0.127 121.093 121.223 -0.006 0.000 2.263 301 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 301 L C 2.766 179.644 176.870 0.014 0.000 1.111 301 L CA 1.850 56.691 54.840 0.001 0.000 0.773 301 L CB -1.076 40.969 42.059 -0.024 0.000 0.906 301 L HN 0.609 nan 8.230 nan 0.000 0.439 302 E N 0.568 120.776 120.200 0.014 0.000 2.045 302 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 302 E C 1.771 178.385 176.600 0.023 0.000 0.968 302 E CA 0.785 57.194 56.400 0.015 0.000 0.813 302 E CB -0.678 29.028 29.700 0.010 0.000 0.780 302 E HN 0.553 nan 8.360 nan 0.000 0.455 303 E N -0.047 120.169 120.200 0.028 0.000 2.773 303 E HA 0.535 4.885 4.350 -0.000 0.000 0.302 303 E C 0.224 176.848 176.600 0.040 0.000 1.574 303 E CA 0.626 57.044 56.400 0.031 0.000 1.775 303 E CB -1.762 27.956 29.700 0.030 0.000 1.413 303 E HN 1.446 nan 8.360 nan 0.000 0.471 327 L N 0.560 121.785 121.223 0.003 0.000 2.465 327 L HA 0.480 4.820 4.340 -0.000 0.000 0.224 327 L C 2.587 179.459 176.870 0.003 0.000 1.145 327 L CA 3.091 57.933 54.840 0.003 0.000 0.834 327 L CB -2.518 39.543 42.059 0.003 0.000 0.944 327 L HN 1.328 nan 8.230 nan 0.000 0.451 328 T N -2.428 112.127 114.554 0.003 0.000 3.023 328 T HA 0.152 4.502 4.350 -0.000 0.000 0.266 328 T C 2.075 176.777 174.700 0.003 0.000 1.093 328 T CA 1.839 63.940 62.100 0.003 0.000 1.129 328 T CB -0.290 68.579 68.868 0.002 0.000 0.899 328 T HN 0.820 nan 8.240 nan 0.000 0.491 329 Q N 0.254 120.056 119.800 0.003 0.000 2.488 329 Q HA 0.542 4.882 4.340 -0.000 0.000 0.211 329 Q C 2.555 178.557 176.000 0.004 0.000 0.967 329 Q CA 1.226 57.031 55.803 0.004 0.000 0.926 329 Q CB -1.468 27.273 28.738 0.004 0.000 0.992 329 Q HN 1.001 nan 8.270 nan 0.000 0.506 330 L N -1.802 119.423 121.223 0.004 0.000 2.291 330 L HA 0.340 4.680 4.340 -0.000 0.000 0.214 330 L C 2.934 179.806 176.870 0.004 0.000 1.120 330 L CA 2.633 57.475 54.840 0.004 0.000 0.799 330 L CB -1.809 40.252 42.059 0.004 0.000 0.925 330 L HN 0.833 nan 8.230 nan 0.000 0.446 331 M N -0.477 119.125 119.600 0.003 0.000 2.506 331 M HA 0.266 4.746 4.480 -0.000 0.000 0.260 331 M C 2.624 178.926 176.300 0.003 0.000 1.104 331 M CA 2.049 57.351 55.300 0.003 0.000 1.112 331 M CB -1.854 30.748 32.600 0.002 0.000 1.401 331 M HN 0.751 nan 8.290 nan 0.000 0.473 332 K N 1.125 121.527 120.400 0.003 0.000 2.103 332 K HA 0.165 4.485 4.320 -0.000 0.000 0.204 332 K C 1.873 178.476 176.600 0.004 0.000 1.052 332 K CA 1.864 58.153 56.287 0.003 0.000 0.945 332 K CB -1.379 31.123 32.500 0.004 0.000 0.722 332 K HN 0.920 nan 8.250 nan 0.000 0.443 333 K N 0.025 120.428 120.400 0.005 0.000 2.994 333 K HA 0.675 4.995 4.320 -0.000 0.000 0.231 333 K C 1.677 178.280 176.600 0.005 0.000 1.174 333 K CA 0.658 56.948 56.287 0.005 0.000 1.221 333 K CB -0.955 31.549 32.500 0.006 0.000 1.166 333 K HN 0.594 nan 8.250 nan 0.000 0.453 334 M N -0.424 119.178 119.600 0.004 0.000 2.718 334 M HA 0.381 4.861 4.480 -0.000 0.000 0.259 334 M C 0.547 176.849 176.300 0.003 0.000 1.240 334 M CA 1.480 56.783 55.300 0.004 0.000 1.210 334 M CB -0.799 31.803 32.600 0.003 0.000 1.281 334 M HN 0.321 nan 8.290 nan 0.000 0.515 335 P HA 0.178 nan 4.420 nan 0.000 0.240 335 P C 1.197 178.498 177.300 0.003 0.000 1.190 335 P CA 2.144 65.245 63.100 0.002 0.000 0.781 335 P CB -1.047 30.653 31.700 0.001 0.000 0.931 336 H N -4.761 114.311 119.070 0.004 0.000 2.553 336 H HA 0.472 5.028 4.556 -0.000 0.000 0.265 336 H C 1.549 176.881 175.328 0.006 0.000 0.964 336 H CA 1.533 57.584 56.048 0.005 0.000 1.156 336 H CB -0.862 28.904 29.762 0.006 0.000 1.411 336 H HN 0.507 nan 8.280 nan 0.000 0.558 337 F N 0.161 120.114 119.950 0.006 0.000 2.712 337 F HA 0.467 4.994 4.527 -0.000 0.000 0.297 337 F C 2.526 178.329 175.800 0.005 0.000 1.114 337 F CA 1.125 59.129 58.000 0.006 0.000 1.305 337 F CB -0.850 38.154 39.000 0.007 0.000 1.086 337 F HN 0.764 nan 8.300 nan 0.000 0.599 338 R N 0.994 121.497 120.500 0.004 0.000 2.189 338 R HA 0.122 4.462 4.340 -0.000 0.000 0.218 338 R C 2.178 178.478 176.300 0.000 0.000 1.074 338 R CA 1.911 58.012 56.100 0.003 0.000 0.991 338 R CB -1.734 28.567 30.300 0.003 0.000 0.883 338 R HN 0.763 nan 8.270 nan 0.000 0.457 339 K N -0.914 119.486 120.400 0.000 0.000 2.242 339 K HA 0.176 4.496 4.320 -0.000 0.000 0.200 339 K C 2.474 179.072 176.600 -0.004 0.000 1.050 339 K CA 1.303 57.588 56.287 -0.002 0.000 0.981 339 K CB -0.910 31.589 32.500 -0.001 0.000 0.795 339 K HN 0.688 nan 8.250 nan 0.000 0.477 340 Q N -0.105 119.696 119.800 0.002 0.000 2.369 340 Q HA 0.381 4.721 4.340 -0.000 0.000 0.206 340 Q C 2.327 178.328 176.000 0.002 0.000 0.963 340 Q CA 1.766 57.572 55.803 0.006 0.000 0.894 340 Q CB -0.930 27.815 28.738 0.012 0.000 0.965 340 Q HN 1.029 nan 8.270 nan 0.000 0.475 341 I N -0.324 120.245 120.570 -0.002 0.000 2.810 341 I HA 0.020 4.190 4.170 -0.000 0.000 0.262 341 I C 2.717 178.823 176.117 -0.018 0.000 1.131 341 I CA 1.672 62.970 61.300 -0.005 0.000 1.453 341 I CB -0.890 37.111 38.000 0.002 0.000 1.161 341 I HN 0.632 nan 8.210 nan 0.000 0.444 342 S N 1.354 117.043 115.700 -0.017 0.000 2.419 342 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 342 S C 2.196 176.760 174.600 -0.060 0.000 1.019 342 S CA 2.109 60.295 58.200 -0.023 0.000 0.982 342 S CB -0.938 62.257 63.200 -0.009 0.000 0.789 342 S HN 1.097 nan 8.310 nan 0.000 0.490 343 K N 0.405 120.761 120.400 -0.073 0.000 2.128 343 K HA 0.274 4.594 4.320 -0.000 0.000 0.202 343 K C 2.613 179.093 176.600 -0.200 0.000 1.050 343 K CA 1.281 57.483 56.287 -0.142 0.000 0.966 343 K CB -1.884 30.564 32.500 -0.086 0.000 0.759 343 K HN 0.707 nan 8.250 nan 0.000 0.454 344 Q N 0.517 120.267 119.800 -0.084 0.000 2.234 344 Q HA 0.146 4.486 4.340 -0.000 0.000 0.206 344 Q C 2.584 178.552 176.000 -0.053 0.000 0.980 344 Q CA 2.275 58.059 55.803 -0.032 0.000 0.869 344 Q CB -1.501 27.245 28.738 0.012 0.000 0.912 344 Q HN 1.011 nan 8.270 nan 0.000 0.436 345 V N -0.386 119.479 119.914 -0.081 0.000 2.307 345 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 345 V C 2.642 178.652 176.094 -0.140 0.000 1.045 345 V CA 2.141 64.397 62.300 -0.072 0.000 1.024 345 V CB -0.724 31.070 31.823 -0.049 0.000 0.651 345 V HN 0.425 nan 8.190 nan 0.000 0.449 346 V N 0.399 120.152 119.914 -0.268 0.000 2.324 346 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 346 V C 2.606 178.555 176.094 -0.242 0.000 1.060 346 V CA 2.499 64.560 62.300 -0.399 0.000 1.042 346 V CB -1.058 30.470 31.823 -0.491 0.000 0.650 346 V HN 0.877 nan 8.190 nan 0.000 0.450 347 H N -0.903 118.117 119.070 -0.083 0.000 2.436 347 H HA 0.093 4.649 4.556 -0.000 0.000 0.294 347 H C 2.246 177.602 175.328 0.047 0.000 1.048 347 H CA 1.006 57.031 56.048 -0.037 0.000 1.353 347 H CB -0.297 29.450 29.762 -0.024 0.000 1.414 347 H HN 0.338 nan 8.280 nan 0.000 0.536 348 L N 0.614 121.911 121.223 0.123 0.000 2.131 348 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 348 L C 2.353 179.258 176.870 0.058 0.000 1.092 348 L CA 1.181 56.072 54.840 0.087 0.000 0.759 348 L CB -0.305 41.783 42.059 0.048 0.000 0.903 348 L HN 0.218 nan 8.230 nan 0.000 0.435 349 N N 0.585 119.301 118.700 0.025 0.000 2.135 349 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 349 N C 1.765 177.311 175.510 0.060 0.000 1.027 349 N CA 1.077 54.152 53.050 0.041 0.000 0.849 349 N CB -0.123 38.359 38.487 -0.009 0.000 1.002 349 N HN 0.121 nan 8.380 nan 0.000 0.425 350 L N 0.679 121.890 121.223 -0.020 0.000 1.989 350 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 350 L C 2.111 178.973 176.870 -0.012 0.000 1.071 350 L CA 2.219 56.924 54.840 -0.224 0.000 0.749 350 L CB -1.134 40.751 42.059 -0.291 0.000 0.890 350 L HN 0.228 nan 8.230 nan 0.000 0.431 351 A N -1.280 121.619 122.820 0.131 0.000 2.015 351 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 351 A C 2.294 179.828 177.584 -0.083 0.000 1.163 351 A CA 1.525 53.516 52.037 -0.077 0.000 0.646 351 A CB -0.645 18.305 19.000 -0.084 0.000 0.806 351 A HN 0.593 nan 8.150 nan 0.000 0.448 352 E N 0.483 120.680 120.200 -0.006 0.000 2.046 352 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 352 E C 0.761 177.374 176.600 0.023 0.000 0.982 352 E CA 1.299 57.704 56.400 0.009 0.000 0.800 352 E CB -0.268 29.453 29.700 0.036 0.000 0.756 352 E HN 0.483 nan 8.360 nan 0.000 0.449 353 D N -0.234 120.195 120.400 0.049 0.000 2.371 353 D HA -0.080 4.560 4.640 -0.000 0.000 0.221 353 D C 1.686 178.008 176.300 0.036 0.000 0.986 353 D CA 0.257 54.302 54.000 0.074 0.000 0.899 353 D CB -0.181 40.717 40.800 0.163 0.000 0.902 353 D HN 0.170 nan 8.370 nan 0.000 0.530 354 C N -0.150 119.137 119.300 -0.021 0.000 2.518 354 C HA 0.101 4.561 4.460 -0.000 0.000 0.283 354 C C 2.294 177.262 174.990 -0.038 0.000 1.351 354 C CA -0.008 58.974 59.018 -0.060 0.000 1.745 354 C CB -0.522 27.108 27.740 -0.183 0.000 2.107 354 C HN 0.182 nan 8.230 nan 0.000 0.502 355 M N 1.505 121.072 119.600 -0.055 0.000 2.319 355 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 355 M C 1.658 178.032 176.300 0.124 0.000 1.068 355 M CA 1.133 56.435 55.300 0.003 0.000 1.118 355 M CB -1.460 31.107 32.600 -0.054 0.000 1.395 355 M HN 0.470 nan 8.290 nan 0.000 0.435 356 N N 1.234 119.976 118.700 0.070 0.000 2.039 356 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 356 N C 1.531 177.077 175.510 0.061 0.000 1.044 356 N CA 1.312 54.400 53.050 0.063 0.000 0.847 356 N CB -0.389 38.124 38.487 0.044 0.000 1.030 356 N HN 0.406 nan 8.380 nan 0.000 0.422 357 K N -0.176 120.259 120.400 0.059 0.000 2.211 357 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 357 K C 1.879 178.504 176.600 0.041 0.000 1.047 357 K CA 0.683 56.991 56.287 0.034 0.000 0.935 357 K CB -0.245 32.281 32.500 0.044 0.000 0.728 357 K HN 0.146 nan 8.250 nan 0.000 0.452 358 F N 2.433 122.353 119.950 -0.050 0.000 2.039 358 F HA -0.148 4.379 4.527 -0.000 0.000 0.294 358 F C 1.874 177.647 175.800 -0.044 0.000 1.130 358 F CA 1.489 59.459 58.000 -0.051 0.000 1.189 358 F CB -0.047 38.921 39.000 -0.053 0.000 0.983 358 F HN -0.230 nan 8.300 nan 0.000 0.471 359 K N 0.051 120.471 120.400 0.034 0.000 2.211 359 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 359 K C 1.885 178.409 176.600 -0.128 0.000 1.047 359 K CA 1.373 57.612 56.287 -0.079 0.000 0.935 359 K CB -0.491 32.051 32.500 0.071 0.000 0.728 359 K HN 0.297 nan 8.250 nan 0.000 0.452 360 L N 1.761 122.926 121.223 -0.096 0.000 1.988 360 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 360 L C 1.170 177.945 176.870 -0.158 0.000 1.071 360 L CA 2.264 57.044 54.840 -0.101 0.000 0.744 360 L CB -0.224 41.788 42.059 -0.077 0.000 0.893 360 L HN 0.376 nan 8.230 nan 0.000 0.433 361 N N -3.853 114.709 118.700 -0.229 0.000 2.121 361 N HA 0.010 4.750 4.740 -0.000 0.000 0.254 361 N C 1.362 176.687 175.510 -0.307 0.000 1.140 361 N CA 0.319 53.189 53.050 -0.300 0.000 0.785 361 N CB -0.338 37.801 38.487 -0.580 0.000 1.564 361 N HN 0.023 nan 8.380 nan 0.000 0.536 362 I N 2.080 122.470 120.570 -0.301 0.000 2.248 362 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 362 I C 2.314 178.238 176.117 -0.321 0.000 1.107 362 I CA 1.596 62.743 61.300 -0.255 0.000 1.373 362 I CB -1.051 36.922 38.000 -0.046 0.000 1.055 362 I HN 0.505 nan 8.210 nan 0.000 0.418 363 E N 1.526 121.296 120.200 -0.718 0.000 2.038 363 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 363 E C 2.423 178.813 176.600 -0.351 0.000 1.000 363 E CA 2.519 58.343 56.400 -0.960 0.000 0.803 363 E CB 0.049 28.891 29.700 -1.430 0.000 0.750 363 E HN 0.494 nan 8.360 nan 0.000 0.448 364 K N 0.859 121.108 120.400 -0.253 0.000 2.097 364 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 364 K C 2.018 178.586 176.600 -0.054 0.000 1.050 364 K CA 1.339 57.561 56.287 -0.108 0.000 0.938 364 K CB -1.053 31.413 32.500 -0.057 0.000 0.718 364 K HN 0.206 nan 8.250 nan 0.000 0.442 365 L N 0.459 121.667 121.223 -0.026 0.000 2.046 365 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 365 L C 2.387 179.230 176.870 -0.046 0.000 1.077 365 L CA 1.777 56.614 54.840 -0.005 0.000 0.747 365 L CB -0.792 41.262 42.059 -0.009 0.000 0.896 365 L HN 0.497 nan 8.230 nan 0.000 0.432 366 C N -0.489 118.788 119.300 -0.038 0.000 2.432 366 C HA -0.105 4.355 4.460 -0.000 0.000 0.280 366 C C 2.765 177.783 174.990 0.047 0.000 1.353 366 C CA 0.848 59.890 59.018 0.040 0.000 1.766 366 C CB -0.894 26.914 27.740 0.113 0.000 1.924 366 C HN 0.578 nan 8.230 nan 0.000 0.509 367 K N 1.037 121.449 120.400 0.020 0.000 2.057 367 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 367 K C 1.958 178.570 176.600 0.019 0.000 1.049 367 K CA 2.062 58.365 56.287 0.026 0.000 0.931 367 K CB -0.183 32.321 32.500 0.007 0.000 0.714 367 K HN 0.642 nan 8.250 nan 0.000 0.440 368 T N -2.381 112.171 114.554 -0.003 0.000 3.067 368 T HA 0.079 4.429 4.350 -0.000 0.000 0.257 368 T C 1.394 176.094 174.700 -0.001 0.000 1.105 368 T CA 0.338 62.431 62.100 -0.011 0.000 1.104 368 T CB 0.171 69.013 68.868 -0.042 0.000 0.925 368 T HN 0.262 nan 8.240 nan 0.000 0.498 369 E N 1.119 121.324 120.200 0.010 0.000 2.033 369 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 369 E C 2.974 179.582 176.600 0.012 0.000 0.979 369 E CA 1.196 57.603 56.400 0.012 0.000 0.802 369 E CB -0.367 29.356 29.700 0.038 0.000 0.763 369 E HN 0.749 nan 8.360 nan 0.000 0.449 370 Q N 0.956 120.783 119.800 0.045 0.000 2.234 370 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 370 Q C 1.737 177.779 176.000 0.070 0.000 0.980 370 Q CA 2.307 58.155 55.803 0.075 0.000 0.869 370 Q CB -1.649 27.157 28.738 0.113 0.000 0.912 370 Q HN 0.597 nan 8.270 nan 0.000 0.436 371 D N -0.553 119.877 120.400 0.050 0.000 2.117 371 D HA 0.212 4.852 4.640 -0.000 0.000 0.198 371 D C 2.103 178.429 176.300 0.044 0.000 0.982 371 D CA 2.729 56.756 54.000 0.046 0.000 0.828 371 D CB -0.637 40.183 40.800 0.033 0.000 0.967 371 D HN 0.993 nan 8.370 nan 0.000 0.464 372 L N -0.879 120.364 121.223 0.034 0.000 2.446 372 L HA 0.772 5.112 4.340 -0.000 0.000 0.219 372 L C 2.836 179.710 176.870 0.006 0.000 1.116 372 L CA 1.584 56.447 54.840 0.039 0.000 0.844 372 L CB -0.982 41.115 42.059 0.062 0.000 0.970 372 L HN 0.644 nan 8.230 nan 0.000 0.457 373 A N -0.509 122.299 122.820 -0.019 0.000 1.850 373 A HA 0.335 4.655 4.320 -0.000 0.000 0.212 373 A C 2.433 180.041 177.584 0.039 0.000 1.208 373 A CA 2.102 54.077 52.037 -0.104 0.000 0.609 373 A CB -0.852 17.988 19.000 -0.267 0.000 0.860 373 A HN 1.295 nan 8.150 nan 0.000 0.448 374 L N -1.486 119.837 121.223 0.167 0.000 2.240 374 L HA 0.413 4.753 4.340 -0.000 0.000 0.211 374 L C 2.154 179.110 176.870 0.144 0.000 1.106 374 L CA 1.728 56.734 54.840 0.276 0.000 0.793 374 L CB -2.120 40.099 42.059 0.268 0.000 0.927 374 L HN 1.643 nan 8.230 nan 0.000 0.446 375 G N -2.066 106.788 108.800 0.090 0.000 2.176 375 G HA2 0.246 4.206 3.960 -0.000 0.000 0.252 375 G HA3 0.246 4.206 3.960 -0.000 0.000 0.252 375 G C 0.397 175.327 174.900 0.050 0.000 1.024 375 G CA 0.562 45.696 45.100 0.057 0.000 0.755 375 G HN 2.312 nan 8.290 nan 0.000 0.507 376 T N -1.904 112.684 114.554 0.056 0.000 3.588 376 T HA 0.733 5.083 4.350 -0.000 0.000 0.253 376 T C -0.180 174.545 174.700 0.042 0.000 0.887 376 T CA 1.261 63.386 62.100 0.041 0.000 1.582 376 T CB -0.318 68.571 68.868 0.034 0.000 0.810 376 T HN 1.429 nan 8.240 nan 0.000 0.598 377 D N 0.797 121.222 120.400 0.042 0.000 2.264 377 D HA 0.950 5.590 4.640 -0.000 0.000 0.249 377 D C 1.242 177.566 176.300 0.039 0.000 1.070 377 D CA 0.335 54.361 54.000 0.044 0.000 0.912 377 D CB 0.863 41.689 40.800 0.042 0.000 1.193 377 D HN 1.949 nan 8.370 nan 0.000 0.427 378 A N 0.230 123.078 122.820 0.048 0.000 5.395 378 A HA 0.132 4.452 4.320 -0.000 0.000 0.332 378 A C 1.643 179.253 177.584 0.043 0.000 1.754 378 A CA 2.564 54.633 52.037 0.054 0.000 0.716 378 A CB -1.996 17.035 19.000 0.051 0.000 1.411 378 A HN 2.345 nan 8.150 nan 0.000 0.398 379 E N 0.801 121.026 120.200 0.041 0.000 2.562 379 E HA 0.398 4.748 4.350 -0.000 0.000 0.241 379 E C 0.867 177.481 176.600 0.023 0.000 1.136 379 E CA 0.744 57.164 56.400 0.034 0.000 0.952 379 E CB -1.388 28.330 29.700 0.030 0.000 0.975 379 E HN 2.257 nan 8.360 nan 0.000 0.494 380 G N 0.768 109.578 108.800 0.017 0.000 2.346 380 G HA2 0.478 4.438 3.960 -0.000 0.000 0.275 380 G HA3 0.478 4.438 3.960 -0.000 0.000 0.275 380 G C 0.637 175.543 174.900 0.010 0.000 1.190 380 G CA 1.145 46.250 45.100 0.009 0.000 1.015 380 G HN 1.280 nan 8.290 nan 0.000 0.441 381 Q N 0.756 120.563 119.800 0.012 0.000 1.917 381 Q HA 0.541 4.881 4.340 -0.000 0.000 0.149 381 Q C 1.740 177.750 176.000 0.016 0.000 0.614 381 Q CA 2.032 57.844 55.803 0.016 0.000 0.896 381 Q CB -0.926 27.821 28.738 0.016 0.000 1.060 381 Q HN 2.416 nan 8.270 nan 0.000 0.273 382 R N -1.474 119.034 120.500 0.014 0.000 3.835 382 R HA 0.076 4.416 4.340 -0.000 0.000 0.455 382 R C 2.089 178.400 176.300 0.017 0.000 0.241 382 R CA 4.552 60.660 56.100 0.014 0.000 1.439 382 R CB -2.305 28.002 30.300 0.012 0.000 0.987 382 R HN 2.312 nan 8.270 nan 0.000 0.570 383 V N -1.772 118.153 119.914 0.017 0.000 6.578 383 V HA 0.289 4.409 4.120 -0.000 0.000 0.078 383 V C -0.953 175.154 176.094 0.022 0.000 0.951 383 V CA 1.790 64.103 62.300 0.022 0.000 0.581 383 V CB -0.836 31.002 31.823 0.024 0.000 0.845 383 V HN 1.967 nan 8.190 nan 0.000 0.736 384 K N 1.930 122.343 120.400 0.021 0.000 7.036 384 K HA -0.193 4.127 4.320 -0.000 0.000 0.759 384 K C 0.130 176.747 176.600 0.028 0.000 2.417 384 K CA 0.867 57.166 56.287 0.020 0.000 1.750 384 K CB -1.056 31.452 32.500 0.014 0.000 1.984 384 K HN 1.014 nan 8.250 nan 0.000 0.300 385 D N 0.850 121.271 120.400 0.036 0.000 3.821 385 D HA -0.357 4.283 4.640 -0.000 0.000 0.204 385 D C 0.740 177.098 176.300 0.097 0.000 1.303 385 D CA 4.641 58.672 54.000 0.050 0.000 2.340 385 D CB -1.301 39.514 40.800 0.025 0.000 1.233 385 D HN 1.397 nan 8.370 nan 0.000 0.420 386 S N -2.441 113.307 115.700 0.081 0.000 3.017 386 S HA -0.411 4.059 4.470 -0.000 0.000 0.283 386 S C 1.118 175.780 174.600 0.104 0.000 1.304 386 S CA 2.687 60.959 58.200 0.120 0.000 1.224 386 S CB -2.019 61.286 63.200 0.176 0.000 1.480 386 S HN 0.695 nan 8.310 nan 0.000 0.698 387 M N 1.511 121.122 119.600 0.018 0.000 2.466 387 M HA 0.532 5.012 4.480 -0.000 0.000 0.265 387 M C 2.538 178.762 176.300 -0.127 0.000 1.122 387 M CA 1.744 56.951 55.300 -0.154 0.000 1.157 387 M CB -0.814 31.703 32.600 -0.139 0.000 1.352 387 M HN 0.967 nan 8.290 nan 0.000 0.464 388 L N -1.138 120.047 121.223 -0.063 0.000 2.456 388 L HA 0.066 4.406 4.340 -0.000 0.000 0.224 388 L C 2.167 179.005 176.870 -0.054 0.000 1.148 388 L CA 1.684 56.491 54.840 -0.056 0.000 0.825 388 L CB -2.060 39.980 42.059 -0.032 0.000 0.937 388 L HN 0.336 nan 8.230 nan 0.000 0.450 389 V N -1.207 118.679 119.914 -0.047 0.000 2.599 389 V HA -0.111 4.009 4.120 -0.000 0.000 0.245 389 V C 2.385 178.440 176.094 -0.066 0.000 1.046 389 V CA 1.442 63.720 62.300 -0.037 0.000 1.065 389 V CB 0.242 32.063 31.823 -0.002 0.000 0.703 389 V HN 0.687 nan 8.190 nan 0.000 0.464 390 L N 0.241 121.400 121.223 -0.106 0.000 2.072 390 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 390 L C 2.697 179.477 176.870 -0.151 0.000 1.079 390 L CA 1.651 56.404 54.840 -0.145 0.000 0.752 390 L CB -0.396 41.513 42.059 -0.250 0.000 0.906 390 L HN 0.323 nan 8.230 nan 0.000 0.436 391 L N -0.202 120.930 121.223 -0.151 0.000 2.030 391 L HA -0.239 4.101 4.340 -0.000 0.000 0.222 391 L C 0.477 177.276 176.870 -0.118 0.000 1.082 391 L CA 3.029 57.791 54.840 -0.131 0.000 0.785 391 L CB -3.312 38.683 42.059 -0.107 0.000 0.895 391 L HN 0.307 nan 8.230 nan 0.000 0.439 392 P HA -0.166 nan 4.420 nan 0.000 0.214 392 P C 1.212 178.426 177.300 -0.143 0.000 1.164 392 P CA 2.103 65.142 63.100 -0.101 0.000 0.942 392 P CB -0.391 31.258 31.700 -0.086 0.000 0.791 393 V N -0.284 119.520 119.914 -0.183 0.000 2.670 393 V HA -0.004 4.116 4.120 -0.000 0.000 0.344 393 V C 1.340 177.269 176.094 -0.275 0.000 1.648 393 V CA 0.712 62.826 62.300 -0.310 0.000 1.673 393 V CB -1.118 30.493 31.823 -0.353 0.000 1.382 393 V HN 0.086 nan 8.190 nan 0.000 0.503 394 L N 0.466 121.572 121.223 -0.196 0.000 3.128 394 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 394 L C 0.965 177.767 176.870 -0.114 0.000 1.171 394 L CA 1.235 55.986 54.840 -0.149 0.000 1.008 394 L CB 0.568 42.549 42.059 -0.129 0.000 1.442 394 L HN 0.276 nan 8.230 nan 0.000 0.584 395 L N 0.795 121.951 121.223 -0.112 0.000 3.062 395 L HA 0.372 4.712 4.340 -0.000 0.000 0.255 395 L C -0.316 176.516 176.870 -0.064 0.000 1.274 395 L CA 0.013 54.808 54.840 -0.074 0.000 1.047 395 L CB -0.153 41.868 42.059 -0.062 0.000 1.402 395 L HN 0.198 nan 8.230 nan 0.000 0.550 396 N N 0.630 119.279 118.700 -0.085 0.000 2.437 396 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 396 N C 0.931 176.480 175.510 0.064 0.000 0.983 396 N CA -0.109 52.935 53.050 -0.011 0.000 0.937 396 N CB 1.693 40.145 38.487 -0.058 0.000 1.122 396 N HN 0.150 nan 8.380 nan 0.000 0.499 397 K N 1.341 121.774 120.400 0.055 0.000 2.432 397 K HA -0.072 4.248 4.320 -0.000 0.000 0.196 397 K C 0.884 177.520 176.600 0.061 0.000 1.038 397 K CA 0.914 57.228 56.287 0.046 0.000 0.986 397 K CB -0.579 31.933 32.500 0.021 0.000 0.782 397 K HN 0.663 nan 8.250 nan 0.000 0.485 398 N N 0.327 119.084 118.700 0.096 0.000 2.320 398 N HA 0.116 4.856 4.740 -0.000 0.000 0.237 398 N C -0.910 174.562 175.510 -0.062 0.000 1.129 398 N CA -0.400 52.661 53.050 0.018 0.000 0.854 398 N CB -0.433 38.036 38.487 -0.030 0.000 1.083 398 N HN 0.549 nan 8.380 nan 0.000 0.504 399 H N -0.605 118.451 119.070 -0.023 0.000 2.622 399 H HA 0.423 4.979 4.556 -0.000 0.000 0.363 399 H C -0.668 174.661 175.328 0.002 0.000 1.151 399 H CA -0.683 55.354 56.048 -0.018 0.000 1.184 399 H CB 1.168 30.912 29.762 -0.030 0.000 1.643 399 H HN 0.006 nan 8.280 nan 0.000 0.531 400 D N 0.448 120.911 120.400 0.106 0.000 2.360 400 D HA 0.012 4.652 4.640 -0.000 0.000 0.242 400 D C 0.947 177.303 176.300 0.094 0.000 1.184 400 D CA -0.187 53.863 54.000 0.084 0.000 0.930 400 D CB 0.721 41.567 40.800 0.077 0.000 1.161 400 D HN 0.491 nan 8.370 nan 0.000 0.447 401 N N 0.006 118.747 118.700 0.068 0.000 2.381 401 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 401 N C 1.631 177.182 175.510 0.069 0.000 1.025 401 N CA 0.298 53.382 53.050 0.058 0.000 0.888 401 N CB -0.359 38.154 38.487 0.043 0.000 0.965 401 N HN 0.414 nan 8.380 nan 0.000 0.438 402 C N 1.198 120.547 119.300 0.082 0.000 2.489 402 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 402 C C 1.997 177.061 174.990 0.125 0.000 1.266 402 C CA 0.675 59.750 59.018 0.095 0.000 1.707 402 C CB -0.777 27.018 27.740 0.092 0.000 2.059 402 C HN 0.375 nan 8.230 nan 0.000 0.481 403 D N 0.601 121.098 120.400 0.162 0.000 2.149 403 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 403 D C 2.061 178.453 176.300 0.154 0.000 0.990 403 D CA 1.339 55.480 54.000 0.234 0.000 0.839 403 D CB -0.470 40.494 40.800 0.272 0.000 0.948 403 D HN 0.488 nan 8.370 nan 0.000 0.460 404 K N 1.022 121.481 120.400 0.098 0.000 2.025 404 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 404 K C 2.132 178.744 176.600 0.019 0.000 1.049 404 K CA 0.669 56.974 56.287 0.030 0.000 0.933 404 K CB -0.467 32.043 32.500 0.016 0.000 0.714 404 K HN 0.105 nan 8.250 nan 0.000 0.438 405 I N 0.352 120.946 120.570 0.040 0.000 2.226 405 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 405 I C 2.264 178.395 176.117 0.022 0.000 1.100 405 I CA 1.303 62.622 61.300 0.031 0.000 1.374 405 I CB -0.212 37.827 38.000 0.064 0.000 1.057 405 I HN 0.179 nan 8.210 nan 0.000 0.413 406 R N 0.738 121.277 120.500 0.064 0.000 2.083 406 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 406 R C 2.488 178.798 176.300 0.018 0.000 1.137 406 R CA 1.601 57.740 56.100 0.065 0.000 0.951 406 R CB -0.560 29.814 30.300 0.123 0.000 0.851 406 R HN 0.368 nan 8.270 nan 0.000 0.434 407 A N 0.619 123.455 122.820 0.027 0.000 1.883 407 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 407 A C 2.380 179.932 177.584 -0.053 0.000 1.186 407 A CA 1.629 53.659 52.037 -0.011 0.000 0.624 407 A CB -0.677 18.302 19.000 -0.034 0.000 0.822 407 A HN 0.138 nan 8.150 nan 0.000 0.444 408 V N 0.106 119.977 119.914 -0.072 0.000 2.343 408 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 408 V C 2.570 178.558 176.094 -0.177 0.000 1.051 408 V CA 1.920 64.165 62.300 -0.092 0.000 1.036 408 V CB -0.774 30.996 31.823 -0.088 0.000 0.654 408 V HN 0.582 nan 8.190 nan 0.000 0.451 409 L N -0.743 120.311 121.223 -0.281 0.000 2.051 409 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 409 L C 2.427 178.823 176.870 -0.789 0.000 1.076 409 L CA 1.706 56.147 54.840 -0.666 0.000 0.758 409 L CB -0.598 41.134 42.059 -0.544 0.000 0.890 409 L HN 0.326 nan 8.230 nan 0.000 0.433 410 L N -1.636 119.419 121.223 -0.280 0.000 1.989 410 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 410 L C 2.648 179.451 176.870 -0.111 0.000 1.071 410 L CA 1.611 56.392 54.840 -0.099 0.000 0.749 410 L CB -0.879 41.150 42.059 -0.051 0.000 0.890 410 L HN 0.222 nan 8.230 nan 0.000 0.431 411 Y N 1.048 121.229 120.300 -0.198 0.000 2.151 411 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 411 Y C 2.386 178.174 175.900 -0.186 0.000 1.166 411 Y CA 1.698 59.704 58.100 -0.157 0.000 1.163 411 Y CB -0.282 38.094 38.460 -0.140 0.000 0.974 411 Y HN 0.041 nan 8.280 nan 0.000 0.511 412 I N -0.914 119.445 120.570 -0.350 0.000 2.315 412 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 412 I C 1.977 177.867 176.117 -0.379 0.000 1.117 412 I CA 1.398 62.429 61.300 -0.448 0.000 1.404 412 I CB -0.631 37.088 38.000 -0.469 0.000 1.071 412 I HN 0.157 nan 8.210 nan 0.000 0.419 413 F N 0.764 120.553 119.950 -0.269 0.000 2.451 413 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 413 F C 2.379 178.042 175.800 -0.227 0.000 1.101 413 F CA 0.475 58.321 58.000 -0.258 0.000 1.436 413 F CB -0.325 38.494 39.000 -0.302 0.000 1.074 413 F HN 0.083 nan 8.300 nan 0.000 0.553 414 G N 0.276 109.011 108.800 -0.109 0.000 2.939 414 G HA2 0.054 4.014 3.960 -0.000 0.000 0.210 414 G HA3 0.054 4.014 3.960 -0.000 0.000 0.210 414 G C 1.139 175.926 174.900 -0.188 0.000 1.160 414 G CA 0.359 45.380 45.100 -0.132 0.000 0.770 414 G HN 0.538 nan 8.290 nan 0.000 0.543 415 I N -4.663 115.751 120.570 -0.261 0.000 4.160 415 I HA 0.355 4.525 4.170 -0.000 0.000 0.325 415 I C 0.242 176.265 176.117 -0.158 0.000 1.455 415 I CA -0.542 60.616 61.300 -0.237 0.000 1.142 415 I CB 0.232 38.009 38.000 -0.372 0.000 1.262 415 I HN -0.149 nan 8.210 nan 0.000 0.483 416 N N 2.393 121.024 118.700 -0.115 0.000 2.708 416 N HA -0.139 4.601 4.740 -0.000 0.000 0.251 416 N C 0.398 175.870 175.510 -0.063 0.000 1.123 416 N CA 1.534 54.548 53.050 -0.060 0.000 0.739 416 N CB -1.349 37.111 38.487 -0.045 0.000 1.113 416 N HN 1.080 nan 8.380 nan 0.000 0.561 417 G N -2.670 106.066 108.800 -0.106 0.000 2.459 417 G HA2 0.334 4.294 3.960 -0.000 0.000 0.685 417 G HA3 0.334 4.294 3.960 -0.000 0.000 0.685 417 G C -0.623 174.230 174.900 -0.079 0.000 1.303 417 G CA -0.039 45.011 45.100 -0.084 0.000 0.907 417 G HN 0.989 nan 8.290 nan 0.000 0.632 418 T N -2.284 112.242 114.554 -0.047 0.000 2.900 418 T HA 0.850 5.200 4.350 -0.000 0.000 0.303 418 T C 0.623 175.319 174.700 -0.006 0.000 1.142 418 T CA 0.430 62.519 62.100 -0.019 0.000 1.007 418 T CB 1.422 70.297 68.868 0.011 0.000 1.156 418 T HN 2.299 nan 8.240 nan 0.000 0.490 419 T N -0.876 113.678 114.554 0.000 0.000 2.856 419 T HA 0.091 4.441 4.350 -0.000 0.000 0.329 419 T C 1.097 175.800 174.700 0.006 0.000 1.094 419 T CA 0.129 62.230 62.100 0.003 0.000 1.112 419 T CB 0.368 69.238 68.868 0.004 0.000 1.009 419 T HN 0.902 nan 8.240 nan 0.000 0.550 420 E N 0.086 120.290 120.200 0.007 0.000 2.265 420 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 420 E C 1.843 178.448 176.600 0.009 0.000 0.996 420 E CA 0.895 57.301 56.400 0.010 0.000 0.832 420 E CB 0.060 29.767 29.700 0.012 0.000 0.756 420 E HN 0.765 nan 8.360 nan 0.000 0.491 421 E N 1.326 121.530 120.200 0.007 0.000 2.014 421 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 421 E C 1.660 178.262 176.600 0.004 0.000 0.980 421 E CA 1.383 57.786 56.400 0.005 0.000 0.807 421 E CB -0.405 29.297 29.700 0.004 0.000 0.770 421 E HN 0.541 nan 8.360 nan 0.000 0.451 422 N N 0.975 119.679 118.700 0.006 0.000 2.519 422 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 422 N C 2.048 177.562 175.510 0.006 0.000 1.062 422 N CA 0.333 53.387 53.050 0.006 0.000 0.910 422 N CB -0.094 38.401 38.487 0.013 0.000 0.958 422 N HN 0.149 nan 8.380 nan 0.000 0.445 423 L N 1.772 123.000 121.223 0.007 0.000 2.168 423 L HA -0.030 4.309 4.340 -0.000 0.000 0.203 423 L C 2.167 179.037 176.870 0.001 0.000 1.078 423 L CA 2.086 56.929 54.840 0.005 0.000 0.780 423 L CB -1.344 40.718 42.059 0.005 0.000 0.939 423 L HN 0.304 nan 8.230 nan 0.000 0.451 424 D N -0.373 120.029 120.400 0.004 0.000 2.265 424 D HA -0.212 4.428 4.640 -0.000 0.000 0.208 424 D C 2.201 178.500 176.300 -0.002 0.000 0.977 424 D CA 1.855 55.857 54.000 0.004 0.000 0.871 424 D CB -0.464 40.340 40.800 0.006 0.000 0.925 424 D HN 0.511 nan 8.370 nan 0.000 0.485 425 R N -0.524 119.972 120.500 -0.006 0.000 2.066 425 R HA 0.447 4.787 4.340 -0.000 0.000 0.224 425 R C 3.037 179.325 176.300 -0.020 0.000 1.122 425 R CA 1.793 57.885 56.100 -0.012 0.000 0.974 425 R CB -1.676 28.616 30.300 -0.014 0.000 0.871 425 R HN 1.068 nan 8.270 nan 0.000 0.435 426 L N 0.881 122.090 121.223 -0.024 0.000 2.013 426 L HA 0.086 4.426 4.340 -0.000 0.000 0.212 426 L C 3.225 180.076 176.870 -0.032 0.000 1.073 426 L CA 3.312 58.128 54.840 -0.039 0.000 0.753 426 L CB -1.895 40.139 42.059 -0.042 0.000 0.890 426 L HN 0.782 nan 8.230 nan 0.000 0.432 427 I N -0.931 119.628 120.570 -0.018 0.000 2.546 427 I HA 0.054 4.224 4.170 -0.000 0.000 0.255 427 I C 2.557 178.669 176.117 -0.008 0.000 1.163 427 I CA 2.798 64.092 61.300 -0.010 0.000 1.457 427 I CB -2.274 35.726 38.000 0.001 0.000 1.092 427 I HN 0.943 nan 8.210 nan 0.000 0.434 428 H N -0.095 118.970 119.070 -0.009 0.000 2.384 428 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 428 H C 2.098 177.419 175.328 -0.013 0.000 1.057 428 H CA 1.139 57.182 56.048 -0.007 0.000 1.370 428 H CB -0.827 28.932 29.762 -0.005 0.000 1.417 428 H HN 0.590 nan 8.280 nan 0.000 0.527 429 N N 0.319 119.007 118.700 -0.019 0.000 2.334 429 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 429 N C 1.492 176.987 175.510 -0.026 0.000 1.016 429 N CA 1.323 54.358 53.050 -0.025 0.000 0.879 429 N CB -0.113 38.353 38.487 -0.034 0.000 0.965 429 N HN 0.537 nan 8.380 nan 0.000 0.438 430 V N -0.578 119.321 119.914 -0.025 0.000 5.985 430 V HA 0.405 4.525 4.120 -0.000 0.000 0.167 430 V C 1.342 177.429 176.094 -0.012 0.000 1.424 430 V CA 1.200 63.486 62.300 -0.024 0.000 1.184 430 V CB 0.390 32.195 31.823 -0.030 0.000 1.929 430 V HN 0.237 nan 8.190 nan 0.000 0.348 431 K N -0.401 119.996 120.400 -0.006 0.000 4.224 431 K HA 0.682 5.002 4.320 -0.000 0.000 0.207 431 K C 1.186 177.790 176.600 0.006 0.000 1.175 431 K CA 0.661 56.949 56.287 0.002 0.000 1.769 431 K CB -1.166 31.338 32.500 0.007 0.000 2.478 431 K HN 1.785 nan 8.250 nan 0.000 0.507 432 I N 2.098 122.675 120.570 0.012 0.000 3.450 432 I HA 0.342 4.512 4.170 -0.000 0.000 0.336 432 I C 0.810 176.936 176.117 0.015 0.000 1.252 432 I CA 2.155 63.465 61.300 0.017 0.000 1.427 432 I CB -2.689 35.326 38.000 0.024 0.000 1.367 432 I HN 1.930 nan 8.210 nan 0.000 0.485 433 E N 2.097 122.305 120.200 0.014 0.000 2.346 433 E HA 0.358 4.708 4.350 -0.000 0.000 0.200 433 E C 1.037 177.648 176.600 0.018 0.000 1.331 433 E CA 1.985 58.394 56.400 0.014 0.000 0.668 433 E CB -2.408 27.300 29.700 0.012 0.000 1.157 433 E HN 3.259 nan 8.360 nan 0.000 0.393 434 D N -1.031 119.381 120.400 0.020 0.000 3.081 434 D HA -0.256 4.384 4.640 -0.000 0.000 0.213 434 D C 0.961 177.278 176.300 0.028 0.000 1.240 434 D CA 1.327 55.341 54.000 0.022 0.000 2.076 434 D CB -2.198 38.613 40.800 0.019 0.000 1.302 434 D HN 1.171 nan 8.370 nan 0.000 0.529 435 D N 0.657 121.076 120.400 0.031 0.000 2.346 435 D HA 0.302 4.942 4.640 -0.000 0.000 0.248 435 D C 2.114 178.444 176.300 0.050 0.000 1.173 435 D CA 1.135 55.160 54.000 0.040 0.000 0.878 435 D CB -0.102 40.724 40.800 0.043 0.000 0.919 435 D HN 0.877 nan 8.370 nan 0.000 0.513 436 S N -0.597 115.130 115.700 0.044 0.000 2.436 436 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 436 S C 1.432 176.073 174.600 0.068 0.000 1.014 436 S CA 0.352 58.581 58.200 0.050 0.000 0.950 436 S CB 0.135 63.358 63.200 0.038 0.000 0.784 436 S HN -0.019 nan 8.310 nan 0.000 0.504 437 D N 1.898 122.336 120.400 0.063 0.000 2.263 437 D HA 0.032 4.672 4.640 -0.000 0.000 0.208 437 D C 1.609 177.967 176.300 0.097 0.000 0.971 437 D CA 0.861 54.902 54.000 0.068 0.000 0.867 437 D CB -0.422 40.402 40.800 0.040 0.000 0.929 437 D HN 0.460 nan 8.370 nan 0.000 0.492 438 M N -0.294 119.372 119.600 0.110 0.000 2.632 438 M HA -0.074 4.406 4.480 -0.000 0.000 0.256 438 M C 1.102 177.597 176.300 0.326 0.000 1.080 438 M CA 0.596 55.999 55.300 0.171 0.000 1.084 438 M CB 0.295 32.984 32.600 0.148 0.000 1.439 438 M HN 0.055 nan 8.290 nan 0.000 0.509 439 I N -1.325 119.394 120.570 0.248 0.000 3.136 439 I HA -0.018 4.152 4.170 -0.000 0.000 0.262 439 I C 2.314 178.601 176.117 0.284 0.000 1.132 439 I CA 0.635 62.088 61.300 0.255 0.000 1.450 439 I CB -1.204 36.847 38.000 0.086 0.000 1.315 439 I HN 0.192 nan 8.210 nan 0.000 0.460 440 R N 2.717 123.328 120.500 0.186 0.000 2.094 440 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 440 R C 1.578 178.021 176.300 0.239 0.000 1.137 440 R CA 2.154 58.358 56.100 0.174 0.000 0.943 440 R CB -0.823 29.552 30.300 0.125 0.000 0.850 440 R HN 0.283 nan 8.270 nan 0.000 0.433 441 N N -0.340 118.478 118.700 0.195 0.000 2.573 441 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 441 N C 0.899 176.525 175.510 0.192 0.000 1.107 441 N CA 0.965 54.103 53.050 0.147 0.000 0.918 441 N CB -0.379 38.057 38.487 -0.086 0.000 0.966 441 N HN 0.376 nan 8.380 nan 0.000 0.448 442 W N 1.463 122.851 121.300 0.147 0.000 2.468 442 W HA -0.109 4.551 4.660 -0.000 0.000 0.262 442 W C 2.358 178.950 176.519 0.121 0.000 1.241 442 W CA 1.099 58.530 57.345 0.144 0.000 1.232 442 W CB -0.214 29.366 29.460 0.199 0.000 1.124 442 W HN 0.104 nan 8.180 nan 0.000 0.597 443 S N -1.784 114.114 115.700 0.330 0.000 2.453 443 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 443 S C 1.477 176.128 174.600 0.086 0.000 1.005 443 S CA 1.061 59.369 58.200 0.180 0.000 0.949 443 S CB -0.823 62.443 63.200 0.109 0.000 0.774 443 S HN 0.423 nan 8.310 nan 0.000 0.510 444 H N 0.414 119.499 119.070 0.025 0.000 2.491 444 H HA 0.123 4.679 4.556 -0.000 0.000 0.290 444 H C 1.210 176.497 175.328 -0.068 0.000 1.050 444 H CA 1.129 57.171 56.048 -0.010 0.000 1.309 444 H CB 0.051 29.801 29.762 -0.020 0.000 1.392 444 H HN 0.355 nan 8.280 nan 0.000 0.554 445 L N -0.735 120.441 121.223 -0.079 0.000 2.418 445 L HA 0.098 4.438 4.340 -0.000 0.000 0.218 445 L C 1.822 178.637 176.870 -0.092 0.000 1.125 445 L CA 1.224 55.847 54.840 -0.361 0.000 0.835 445 L CB 0.122 41.897 42.059 -0.473 0.000 0.953 445 L HN 0.464 nan 8.230 nan 0.000 0.454 446 G N -1.540 107.270 108.800 0.016 0.000 2.175 446 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.182 446 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.182 446 G C -0.008 174.930 174.900 0.063 0.000 1.003 446 G CA -0.125 44.998 45.100 0.038 0.000 0.666 446 G HN 0.037 nan 8.290 nan 0.000 0.506 447 V N 2.642 122.628 119.914 0.119 0.000 2.407 447 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 447 V C -1.557 174.630 176.094 0.155 0.000 1.037 447 V CA -1.817 60.571 62.300 0.147 0.000 0.900 447 V CB 1.483 33.450 31.823 0.240 0.000 0.983 447 V HN 0.197 nan 8.190 nan 0.000 0.459 448 P HA 0.184 nan 4.420 nan 0.000 0.263 448 P C 0.501 177.851 177.300 0.083 0.000 1.195 448 P CA 0.477 63.620 63.100 0.071 0.000 0.762 448 P CB 0.797 32.519 31.700 0.036 0.000 0.799 449 I N 3.837 124.451 120.570 0.073 0.000 3.098 449 I HA -0.041 4.129 4.170 -0.000 0.000 0.241 449 I C 2.179 178.304 176.117 0.013 0.000 1.081 449 I CA 1.357 62.689 61.300 0.054 0.000 1.487 449 I CB -1.105 36.957 38.000 0.102 0.000 1.366 449 I HN 0.279 nan 8.210 nan 0.000 0.463 450 V N 0.973 120.900 119.914 0.022 0.000 2.426 450 V HA 0.192 4.312 4.120 -0.000 0.000 0.242 450 V C -1.767 174.327 176.094 0.001 0.000 1.036 450 V CA 0.559 62.865 62.300 0.010 0.000 1.044 450 V CB -0.397 31.436 31.823 0.017 0.000 0.688 450 V HN 0.498 nan 8.190 nan 0.000 0.462 451 P HA 0.304 nan 4.420 nan 0.000 0.274 451 P C -2.705 174.591 177.300 -0.008 0.000 1.291 451 P CA -1.473 61.626 63.100 -0.001 0.000 0.815 451 P CB 0.317 32.018 31.700 0.001 0.000 0.897 452 P HA 0.057 nan 4.420 nan 0.000 0.272 452 P C 0.208 177.494 177.300 -0.023 0.000 1.223 452 P CA 0.161 63.245 63.100 -0.027 0.000 0.784 452 P CB 0.352 32.034 31.700 -0.031 0.000 0.923 453 S N -1.489 114.193 115.700 -0.030 0.000 3.402 453 S HA -0.312 4.158 4.470 -0.000 0.000 0.329 453 S C 1.765 176.355 174.600 -0.016 0.000 1.194 453 S CA 1.485 59.669 58.200 -0.025 0.000 0.951 453 S CB -2.261 60.924 63.200 -0.025 0.000 0.975 453 S HN 0.801 nan 8.310 nan 0.000 0.574 454 Q N -0.657 119.136 119.800 -0.011 0.000 1.867 454 Q HA -0.043 4.297 4.340 -0.000 0.000 0.243 454 Q C 1.414 177.411 176.000 -0.006 0.000 1.036 454 Q CA 3.044 58.844 55.803 -0.006 0.000 0.889 454 Q CB -1.455 27.283 28.738 -0.001 0.000 0.983 454 Q HN 1.408 nan 8.270 nan 0.000 0.418 455 Q N -1.122 118.674 119.800 -0.005 0.000 2.222 455 Q HA 0.786 5.126 4.340 -0.000 0.000 0.211 455 Q C 0.870 176.864 176.000 -0.010 0.000 1.013 455 Q CA 0.085 55.884 55.803 -0.005 0.000 0.993 455 Q CB 0.385 29.121 28.738 -0.004 0.000 1.151 455 Q HN 1.578 nan 8.270 nan 0.000 0.544 456 A N 0.206 123.021 122.820 -0.009 0.000 2.495 456 A HA 0.573 4.893 4.320 -0.000 0.000 0.260 456 A C -0.091 177.480 177.584 -0.021 0.000 1.608 456 A CA 0.142 52.171 52.037 -0.012 0.000 0.834 456 A CB 0.300 19.297 19.000 -0.005 0.000 1.526 456 A HN 0.658 nan 8.150 nan 0.000 0.578 457 K N 0.468 120.853 120.400 -0.025 0.000 2.376 457 K HA 0.484 4.804 4.320 -0.000 0.000 0.257 457 K C -2.788 173.785 176.600 -0.045 0.000 0.939 457 K CA -1.502 54.759 56.287 -0.043 0.000 0.809 457 K CB 1.220 33.694 32.500 -0.044 0.000 1.121 457 K HN 0.383 nan 8.250 nan 0.000 0.425 458 P HA -0.030 nan 4.420 nan 0.000 0.265 458 P C -0.850 176.410 177.300 -0.067 0.000 1.193 458 P CA -0.523 62.533 63.100 -0.073 0.000 0.765 458 P CB 0.332 31.912 31.700 -0.200 0.000 0.823 459 L N 4.129 125.371 121.223 0.031 0.000 2.395 459 L HA 0.372 4.712 4.340 -0.000 0.000 0.269 459 L C 0.216 177.152 176.870 0.110 0.000 1.133 459 L CA 0.278 55.150 54.840 0.052 0.000 0.812 459 L CB 0.263 42.365 42.059 0.073 0.000 1.125 459 L HN 0.360 nan 8.230 nan 0.000 0.452 460 R N 2.363 122.910 120.500 0.080 0.000 2.725 460 R HA 0.377 4.717 4.340 -0.000 0.000 0.277 460 R C -1.214 175.124 176.300 0.063 0.000 0.987 460 R CA -1.300 54.876 56.100 0.126 0.000 0.901 460 R CB 1.716 32.060 30.300 0.075 0.000 1.207 460 R HN 0.344 nan 8.270 nan 0.000 0.463 461 K N 1.749 122.182 120.400 0.055 0.000 2.339 461 K HA 0.154 4.474 4.320 -0.000 0.000 0.286 461 K C -0.362 176.230 176.600 -0.013 0.000 1.050 461 K CA 0.398 56.692 56.287 0.012 0.000 0.956 461 K CB 0.309 32.807 32.500 -0.004 0.000 0.990 461 K HN 0.694 nan 8.250 nan 0.000 0.475 462 D N 2.452 122.842 120.400 -0.016 0.000 2.378 462 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 462 D C 0.407 176.683 176.300 -0.041 0.000 1.180 462 D CA 0.001 53.984 54.000 -0.028 0.000 0.895 462 D CB 0.336 41.123 40.800 -0.021 0.000 1.192 462 D HN 0.697 nan 8.370 nan 0.000 0.438 463 R N -0.029 120.439 120.500 -0.052 0.000 2.543 463 R HA 0.347 4.687 4.340 -0.000 0.000 0.323 463 R C 1.659 177.922 176.300 -0.062 0.000 1.002 463 R CA 0.896 56.959 56.100 -0.062 0.000 1.106 463 R CB -0.124 30.129 30.300 -0.079 0.000 1.280 463 R HN 0.700 nan 8.270 nan 0.000 0.549 464 S N -0.131 115.538 115.700 -0.051 0.000 4.157 464 S HA -0.380 4.090 4.470 -0.000 0.000 0.538 464 S C 0.422 174.976 174.600 -0.077 0.000 1.820 464 S CA 2.103 60.273 58.200 -0.051 0.000 4.198 464 S CB -1.325 61.850 63.200 -0.041 0.000 0.638 464 S HN 0.660 nan 8.310 nan 0.000 0.457 465 A N -0.118 122.645 122.820 -0.094 0.000 2.869 465 A HA 0.432 4.752 4.320 -0.000 0.000 0.197 465 A C -0.546 176.939 177.584 -0.165 0.000 0.953 465 A CA 0.019 51.959 52.037 -0.162 0.000 1.218 465 A CB 0.500 19.408 19.000 -0.155 0.000 1.249 465 A HN 0.457 nan 8.150 nan 0.000 0.512 466 E N 2.122 122.256 120.200 -0.111 0.000 1.800 466 E HA 0.165 4.516 4.350 -0.000 0.000 0.262 466 E C 0.429 176.984 176.600 -0.075 0.000 1.219 466 E CA 0.504 56.864 56.400 -0.066 0.000 1.051 466 E CB -0.489 29.186 29.700 -0.042 0.000 1.074 466 E HN 0.722 nan 8.360 nan 0.000 0.433 467 E N -0.111 120.045 120.200 -0.073 0.000 3.180 467 E HA -0.417 3.933 4.350 -0.000 0.000 0.321 467 E C 0.973 177.468 176.600 -0.175 0.000 1.452 467 E CA 1.505 57.925 56.400 0.032 0.000 1.710 467 E CB -1.123 28.655 29.700 0.129 0.000 1.867 467 E HN 0.665 nan 8.360 nan 0.000 0.513 468 T N -2.649 111.933 114.554 0.046 0.000 13.563 468 T HA -0.433 3.917 4.350 -0.000 0.000 0.419 468 T C 0.895 175.679 174.700 0.140 0.000 1.442 468 T CA 2.499 64.612 62.100 0.022 0.000 2.352 468 T CB -1.814 67.015 68.868 -0.065 0.000 2.791 468 T HN 1.063 nan 8.240 nan 0.000 0.525 469 F N 1.216 121.162 119.950 -0.007 0.000 2.089 469 F HA 0.008 4.535 4.527 0.000 0.000 0.296 469 F C 1.579 177.378 175.800 -0.001 0.000 0.129 469 F CA 1.928 59.925 58.000 -0.003 0.000 0.853 469 F CB -1.927 37.064 39.000 -0.015 0.000 3.845 469 F HN 1.213 nan 8.300 nan 0.000 0.279 470 Q N -1.950 118.001 119.800 0.252 0.000 1.640 470 Q HA -0.246 4.094 4.340 -0.000 0.000 0.401 470 Q C 0.570 176.657 176.000 0.145 0.000 0.902 470 Q CA 2.410 58.299 55.803 0.144 0.000 0.738 470 Q CB -1.325 27.448 28.738 0.059 0.000 4.166 470 Q HN 0.507 nan 8.270 nan 0.000 0.686 471 L N -0.958 120.364 121.223 0.165 0.000 2.609 471 L HA 0.238 4.578 4.340 -0.000 0.000 0.230 471 L C 0.669 177.658 176.870 0.199 0.000 1.064 471 L CA 0.814 55.761 54.840 0.178 0.000 0.873 471 L CB -0.008 42.173 42.059 0.203 0.000 1.139 471 L HN 0.450 nan 8.230 nan 0.000 0.490 472 S N 0.810 116.645 115.700 0.225 0.000 4.051 472 S HA 0.126 4.596 4.470 -0.000 0.000 0.215 472 S C 1.129 175.832 174.600 0.172 0.000 1.289 472 S CA -0.282 58.061 58.200 0.239 0.000 0.907 472 S CB -0.330 63.067 63.200 0.329 0.000 1.603 472 S HN 0.421 nan 8.310 nan 0.000 0.453 473 R N 1.724 122.332 120.500 0.180 0.000 2.394 473 R HA 0.192 4.532 4.340 -0.000 0.000 0.220 473 R C 0.444 176.840 176.300 0.159 0.000 0.887 473 R CA -0.562 55.612 56.100 0.124 0.000 1.034 473 R CB 0.235 30.593 30.300 0.097 0.000 1.179 473 R HN 0.774 nan 8.270 nan 0.000 0.561 474 W N 2.011 123.340 121.300 0.048 0.000 2.184 474 W HA 0.308 4.968 4.660 -0.000 0.000 0.338 474 W C -1.443 175.105 176.519 0.050 0.000 1.257 474 W CA 0.503 57.873 57.345 0.043 0.000 1.243 474 W CB 1.219 30.707 29.460 0.048 0.000 1.122 474 W HN -0.160 nan 8.180 nan 0.000 0.585 475 T N 6.407 120.335 114.554 -1.043 0.000 2.890 475 T HA 0.243 4.593 4.350 -0.000 0.000 0.295 475 T C -2.489 171.599 174.700 -1.021 0.000 0.993 475 T CA -1.049 60.606 62.100 -0.742 0.000 0.979 475 T CB 1.765 70.394 68.868 -0.399 0.000 0.967 475 T HN 0.139 nan 8.240 nan 0.000 0.441 476 P HA 0.022 nan 4.420 nan 0.000 0.266 476 P C 0.395 177.705 177.300 0.015 0.000 1.186 476 P CA -0.245 62.895 63.100 0.067 0.000 0.767 476 P CB 0.365 32.178 31.700 0.187 0.000 0.820 477 F N 3.937 123.865 119.950 -0.035 0.000 2.365 477 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 477 F C 1.674 177.573 175.800 0.165 0.000 1.090 477 F CA 0.974 58.972 58.000 -0.002 0.000 1.408 477 F CB -0.772 38.218 39.000 -0.017 0.000 1.060 477 F HN 0.227 nan 8.300 nan 0.000 0.534 478 I N -1.582 119.081 120.570 0.155 0.000 2.439 478 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 478 I C 2.331 178.394 176.117 -0.090 0.000 1.139 478 I CA 1.268 62.588 61.300 0.033 0.000 1.438 478 I CB -0.986 37.101 38.000 0.145 0.000 1.085 478 I HN -0.014 nan 8.210 nan 0.000 0.427 479 K N 1.396 121.763 120.400 -0.054 0.000 2.218 479 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 479 K C 1.342 177.864 176.600 -0.131 0.000 1.046 479 K CA 2.096 58.334 56.287 -0.082 0.000 0.933 479 K CB -0.052 32.406 32.500 -0.069 0.000 0.728 479 K HN 0.401 nan 8.250 nan 0.000 0.454 480 D N 0.174 120.477 120.400 -0.162 0.000 2.183 480 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 480 D C 1.791 177.933 176.300 -0.263 0.000 0.962 480 D CA 0.831 54.724 54.000 -0.179 0.000 0.849 480 D CB 0.012 40.746 40.800 -0.110 0.000 0.978 480 D HN 0.268 nan 8.370 nan 0.000 0.488 481 I N 0.490 120.838 120.570 -0.369 0.000 2.493 481 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 481 I C 2.248 178.147 176.117 -0.363 0.000 1.160 481 I CA 0.708 61.750 61.300 -0.429 0.000 1.445 481 I CB -0.183 37.560 38.000 -0.428 0.000 1.086 481 I HN -0.037 nan 8.210 nan 0.000 0.433 482 M N 0.179 119.626 119.600 -0.254 0.000 2.081 482 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 482 M C 2.150 178.316 176.300 -0.223 0.000 1.075 482 M CA 1.837 57.011 55.300 -0.211 0.000 1.133 482 M CB -0.501 32.010 32.600 -0.148 0.000 1.330 482 M HN 0.100 nan 8.290 nan 0.000 0.414 483 E N 0.497 120.567 120.200 -0.217 0.000 2.153 483 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 483 E C 1.446 177.921 176.600 -0.208 0.000 0.988 483 E CA 1.055 57.319 56.400 -0.227 0.000 0.811 483 E CB -0.106 29.475 29.700 -0.199 0.000 0.746 483 E HN 0.428 nan 8.360 nan 0.000 0.466 484 D N 0.108 120.378 120.400 -0.217 0.000 2.234 484 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 484 D C 1.751 177.907 176.300 -0.240 0.000 0.962 484 D CA 0.927 54.801 54.000 -0.209 0.000 0.855 484 D CB -0.070 40.597 40.800 -0.220 0.000 0.951 484 D HN 0.155 nan 8.370 nan 0.000 0.500 485 A N 0.479 123.126 122.820 -0.288 0.000 1.897 485 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 485 A C 2.262 179.741 177.584 -0.175 0.000 1.181 485 A CA 0.643 52.516 52.037 -0.273 0.000 0.620 485 A CB -0.514 18.301 19.000 -0.308 0.000 0.821 485 A HN 0.168 nan 8.150 nan 0.000 0.443 486 I N -0.044 120.428 120.570 -0.163 0.000 2.315 486 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 486 I C 0.659 176.726 176.117 -0.083 0.000 1.117 486 I CA 1.089 62.324 61.300 -0.109 0.000 1.404 486 I CB -0.372 37.536 38.000 -0.153 0.000 1.071 486 I HN 0.157 nan 8.210 nan 0.000 0.419 487 D N 1.304 121.636 120.400 -0.113 0.000 2.344 487 D HA -0.045 4.595 4.640 -0.000 0.000 0.242 487 D C 0.385 176.644 176.300 -0.069 0.000 1.159 487 D CA 0.188 54.140 54.000 -0.079 0.000 0.859 487 D CB -0.810 39.936 40.800 -0.089 0.000 0.925 487 D HN 0.154 nan 8.370 nan 0.000 0.510 488 N N 1.540 120.194 118.700 -0.075 0.000 2.702 488 N HA -0.280 4.460 4.740 -0.000 0.000 0.255 488 N C -0.938 174.538 175.510 -0.058 0.000 0.983 488 N CA 0.539 53.552 53.050 -0.061 0.000 0.768 488 N CB -0.791 37.675 38.487 -0.034 0.000 0.918 488 N HN 0.309 nan 8.380 nan 0.000 0.540 489 R N 0.071 120.521 120.500 -0.084 0.000 2.818 489 R HA 0.288 4.628 4.340 -0.000 0.000 0.258 489 R C -1.116 175.128 176.300 -0.094 0.000 1.797 489 R CA -0.672 55.390 56.100 -0.064 0.000 1.532 489 R CB 0.594 30.867 30.300 -0.046 0.000 1.413 489 R HN 0.075 nan 8.270 nan 0.000 0.622 490 L N 1.033 122.189 121.223 -0.111 0.000 2.334 490 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 490 L C -0.236 176.635 176.870 0.001 0.000 1.014 490 L CA -0.532 54.200 54.840 -0.181 0.000 0.815 490 L CB 1.632 43.445 42.059 -0.410 0.000 1.268 490 L HN 0.211 nan 8.230 nan 0.000 0.428 491 D N 1.598 122.087 120.400 0.147 0.000 2.402 491 D HA -0.030 4.610 4.640 -0.000 0.000 0.268 491 D C 0.719 177.177 176.300 0.264 0.000 1.294 491 D CA 0.577 54.721 54.000 0.240 0.000 0.945 491 D CB 0.904 41.891 40.800 0.312 0.000 1.112 491 D HN 0.559 nan 8.370 nan 0.000 0.517 492 S N 2.970 118.767 115.700 0.161 0.000 2.507 492 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 492 S C 2.003 176.674 174.600 0.119 0.000 0.988 492 S CA 1.390 59.685 58.200 0.159 0.000 0.944 492 S CB 0.091 63.372 63.200 0.135 0.000 0.762 492 S HN 0.684 nan 8.310 nan 0.000 0.526 493 K N 1.243 121.703 120.400 0.099 0.000 2.276 493 K HA 0.249 4.569 4.320 -0.000 0.000 0.198 493 K C 1.453 178.054 176.600 0.001 0.000 1.052 493 K CA 0.715 57.033 56.287 0.051 0.000 0.984 493 K CB -0.410 32.120 32.500 0.050 0.000 0.836 493 K HN 0.459 nan 8.250 nan 0.000 0.490 494 E N -1.691 118.521 120.200 0.020 0.000 2.465 494 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 494 E C -1.086 175.179 176.600 -0.559 0.000 1.053 494 E CA -0.223 56.070 56.400 -0.178 0.000 0.869 494 E CB 0.136 29.796 29.700 -0.068 0.000 0.977 494 E HN 0.672 nan 8.360 nan 0.000 0.483 495 W N 0.444 121.651 121.300 -0.154 0.000 1.504 495 W HA 0.282 4.942 4.660 -0.000 0.000 0.313 495 W C -2.662 173.588 176.519 -0.449 0.000 0.936 495 W CA -1.557 55.609 57.345 -0.298 0.000 1.471 495 W CB 0.604 29.931 29.460 -0.222 0.000 1.627 495 W HN -0.010 nan 8.180 nan 0.000 0.408 496 P HA 0.178 nan 4.420 nan 0.000 0.274 496 P C -0.386 176.618 177.300 -0.493 0.000 1.260 496 P CA 0.300 63.160 63.100 -0.400 0.000 0.793 496 P CB 1.176 32.617 31.700 -0.432 0.000 1.048 497 Y N -1.820 118.400 120.300 -0.133 0.000 2.853 497 Y HA 0.394 4.944 4.550 -0.000 0.000 0.332 497 Y C 1.493 177.464 175.900 0.118 0.000 1.229 497 Y CA -0.272 57.823 58.100 -0.008 0.000 1.177 497 Y CB 0.003 38.468 38.460 0.008 0.000 1.435 497 Y HN 0.307 nan 8.280 nan 0.000 0.659 498 C N -1.869 117.619 119.300 0.313 0.000 3.164 498 C HA 0.347 4.808 4.460 -0.000 0.000 0.184 498 C C 0.266 175.347 174.990 0.152 0.000 2.500 498 C CA 0.029 59.178 59.018 0.218 0.000 1.179 498 C CB 0.226 28.071 27.740 0.175 0.000 1.239 498 C HN 0.669 nan 8.230 nan 0.000 0.738 499 S N 0.078 115.852 115.700 0.125 0.000 2.584 499 S HA 0.594 5.064 4.470 -0.000 0.000 0.189 499 S C -0.404 174.230 174.600 0.057 0.000 0.869 499 S CA 0.103 58.346 58.200 0.072 0.000 1.097 499 S CB 0.497 63.729 63.200 0.053 0.000 1.677 499 S HN 0.777 nan 8.310 nan 0.000 0.460 500 R N -0.277 120.264 120.500 0.069 0.000 2.725 500 R HA 0.791 5.131 4.340 -0.000 0.000 0.254 500 R C -1.219 175.114 176.300 0.055 0.000 1.076 500 R CA -0.425 55.705 56.100 0.050 0.000 0.940 500 R CB -0.350 29.990 30.300 0.066 0.000 1.260 500 R HN 0.385 nan 8.270 nan 0.000 0.466 508 S N -0.966 114.717 115.700 -0.029 0.000 3.298 508 S HA 0.295 4.765 4.470 -0.000 0.000 0.273 508 S C 1.649 176.236 174.600 -0.023 0.000 0.804 508 S CA 2.204 60.387 58.200 -0.028 0.000 1.369 508 S CB -0.758 62.419 63.200 -0.038 0.000 0.993 508 S HN 2.295 nan 8.310 nan 0.000 0.449 509 G N -0.481 108.308 108.800 -0.017 0.000 3.353 509 G HA2 0.816 4.776 3.960 -0.000 0.000 0.127 509 G HA3 0.816 4.776 3.960 -0.000 0.000 0.127 509 G C 0.008 174.900 174.900 -0.012 0.000 1.167 509 G CA 1.991 47.082 45.100 -0.016 0.000 1.459 509 G HN 2.307 nan 8.290 nan 0.000 0.702 510 A N -0.888 121.926 122.820 -0.009 0.000 5.053 510 A HA 0.268 4.588 4.320 -0.000 0.000 0.297 510 A C 2.037 179.617 177.584 -0.008 0.000 2.055 510 A CA 2.607 54.640 52.037 -0.007 0.000 0.715 510 A CB -1.901 17.095 19.000 -0.007 0.000 1.234 510 A HN 2.382 nan 8.150 nan 0.000 0.352 511 V N -1.052 118.857 119.914 -0.008 0.000 2.681 511 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 511 V C 0.896 176.983 176.094 -0.011 0.000 1.077 511 V CA 2.287 64.582 62.300 -0.009 0.000 1.224 511 V CB -0.544 31.273 31.823 -0.009 0.000 0.879 511 V HN 2.489 nan 8.190 nan 0.000 0.494 512 S N 3.641 119.334 115.700 -0.012 0.000 2.259 512 S HA 0.919 5.389 4.470 -0.000 0.000 0.181 512 S C -0.089 174.501 174.600 -0.016 0.000 1.589 512 S CA 0.163 58.354 58.200 -0.015 0.000 1.234 512 S CB 0.539 63.728 63.200 -0.017 0.000 1.119 512 S HN 2.518 nan 8.310 nan 0.000 0.458 519 T N -1.474 113.077 114.554 -0.004 0.000 3.128 519 T HA 0.720 5.070 4.350 -0.000 0.000 0.363 519 T C 0.402 175.099 174.700 -0.005 0.000 1.610 519 T CA 0.573 62.671 62.100 -0.004 0.000 1.126 519 T CB 0.074 68.939 68.868 -0.004 0.000 1.416 519 T HN 1.358 nan 8.240 nan 0.000 0.480 520 N N -0.450 118.247 118.700 -0.005 0.000 2.077 520 N HA 0.720 5.460 4.740 -0.000 0.000 0.236 520 N C 0.962 176.469 175.510 -0.006 0.000 1.060 520 N CA 1.529 54.576 53.050 -0.006 0.000 1.130 520 N CB -0.333 38.150 38.487 -0.007 0.000 1.478 520 N HN 2.483 nan 8.380 nan 0.000 0.586 521 Y N -2.328 117.968 120.300 -0.006 0.000 3.038 521 Y HA 0.572 5.122 4.550 -0.000 0.000 0.253 521 Y C -0.080 175.816 175.900 -0.007 0.000 0.779 521 Y CA -0.232 57.864 58.100 -0.006 0.000 1.382 521 Y CB -1.256 37.200 38.460 -0.006 0.000 1.088 521 Y HN 2.354 nan 8.280 nan 0.000 0.492 522 L N -1.750 119.468 121.223 -0.008 0.000 5.004 522 L HA 0.807 5.147 4.340 -0.000 0.000 0.245 522 L C -0.566 176.298 176.870 -0.010 0.000 1.084 522 L CA 0.249 55.084 54.840 -0.009 0.000 0.970 522 L CB 0.022 42.075 42.059 -0.010 0.000 1.692 522 L HN 2.175 nan 8.230 nan 0.000 0.407 523 E N 2.137 122.330 120.200 -0.011 0.000 3.085 523 E HA 0.731 5.081 4.350 -0.000 0.000 0.179 523 E C 0.475 177.069 176.600 -0.010 0.000 0.951 523 E CA 0.755 57.149 56.400 -0.011 0.000 1.326 523 E CB 0.065 29.756 29.700 -0.014 0.000 1.043 523 E HN 2.455 nan 8.360 nan 0.000 0.457 524 L N -0.289 120.929 121.223 -0.009 0.000 6.599 524 L HA -0.246 4.094 4.340 -0.000 0.000 0.053 524 L C -0.130 176.735 176.870 -0.009 0.000 2.154 524 L CA 2.390 57.225 54.840 -0.007 0.000 1.573 524 L CB -1.488 40.569 42.059 -0.004 0.000 2.834 524 L HN 0.620 nan 8.230 nan 0.000 1.072 525 D N -2.601 117.795 120.400 -0.007 0.000 10.696 525 D HA 0.308 4.948 4.640 -0.000 0.000 0.338 525 D C 0.333 176.630 176.300 -0.006 0.000 3.143 525 D CA 1.513 55.509 54.000 -0.008 0.000 2.699 525 D CB -0.378 40.413 40.800 -0.015 0.000 1.231 525 D HN 0.841 nan 8.370 nan 0.000 0.946 526 R N 0.265 120.763 120.500 -0.004 0.000 3.350 526 R HA 0.620 4.960 4.340 -0.000 0.000 0.148 526 R C 1.884 178.187 176.300 0.006 0.000 0.732 526 R CA 1.772 57.872 56.100 -0.001 0.000 1.152 526 R CB -0.876 29.420 30.300 -0.007 0.000 1.613 526 R HN 0.680 nan 8.270 nan 0.000 0.529 527 K N 0.847 121.250 120.400 0.006 0.000 2.214 527 K HA 0.278 4.598 4.320 -0.000 0.000 0.201 527 K C 1.190 177.789 176.600 -0.001 0.000 1.049 527 K CA 1.009 57.296 56.287 0.001 0.000 0.978 527 K CB -0.272 32.229 32.500 0.001 0.000 0.842 527 K HN 0.582 nan 8.250 nan 0.000 0.474 528 N N -1.150 117.552 118.700 0.004 0.000 1.156 528 N HA -0.200 4.540 4.740 -0.000 0.000 0.125 528 N C 1.053 176.561 175.510 -0.004 0.000 0.726 528 N CA 2.541 55.592 53.050 0.002 0.000 0.887 528 N CB -1.509 36.977 38.487 -0.001 0.000 1.163 528 N HN 1.105 nan 8.380 nan 0.000 0.564 529 G N -1.482 107.312 108.800 -0.009 0.000 2.528 529 G HA2 0.403 4.363 3.960 -0.000 0.000 0.078 529 G HA3 0.403 4.363 3.960 -0.000 0.000 0.078 529 G C -1.622 173.269 174.900 -0.015 0.000 1.008 529 G CA 0.726 45.818 45.100 -0.013 0.000 1.309 529 G HN 1.589 nan 8.290 nan 0.000 0.564 530 S N 0.215 115.906 115.700 -0.015 0.000 2.736 530 S HA 0.781 5.251 4.470 -0.000 0.000 0.285 530 S C -0.865 173.726 174.600 -0.015 0.000 1.163 530 S CA -0.675 57.517 58.200 -0.015 0.000 1.025 530 S CB 2.011 65.204 63.200 -0.013 0.000 1.030 530 S HN 0.742 nan 8.310 nan 0.000 0.486 531 R N 1.339 121.828 120.500 -0.017 0.000 2.711 531 R HA 0.627 4.967 4.340 -0.000 0.000 0.284 531 R C -1.383 174.902 176.300 -0.024 0.000 0.968 531 R CA -1.050 55.038 56.100 -0.020 0.000 0.924 531 R CB 1.561 31.848 30.300 -0.022 0.000 1.162 531 R HN 0.544 nan 8.270 nan 0.000 0.465 532 L N 4.288 125.495 121.223 -0.027 0.000 2.335 532 L HA 0.363 4.703 4.340 -0.000 0.000 0.268 532 L C -1.006 175.853 176.870 -0.018 0.000 1.037 532 L CA -0.506 54.312 54.840 -0.035 0.000 0.895 532 L CB 0.735 42.761 42.059 -0.055 0.000 1.266 532 L HN 0.484 nan 8.230 nan 0.000 0.439 533 I N 5.390 125.957 120.570 -0.006 0.000 2.441 533 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 533 I C 0.224 176.383 176.117 0.069 0.000 1.049 533 I CA -0.069 61.252 61.300 0.034 0.000 1.381 533 I CB 0.753 38.753 38.000 0.001 0.000 1.409 533 I HN 0.477 nan 8.210 nan 0.000 0.523 534 I N 6.597 127.245 120.570 0.130 0.000 2.465 534 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 534 I C -0.983 175.270 176.117 0.227 0.000 1.014 534 I CA -0.636 60.735 61.300 0.119 0.000 1.093 534 I CB 2.308 40.323 38.000 0.026 0.000 1.267 534 I HN 0.371 nan 8.210 nan 0.000 0.431 535 F N 7.285 127.270 119.950 0.059 0.000 2.499 535 F HA 0.567 5.094 4.527 -0.000 0.000 0.333 535 F C -1.086 174.714 175.800 0.000 0.000 1.138 535 F CA -0.612 57.425 58.000 0.061 0.000 0.945 535 F CB 1.292 40.375 39.000 0.139 0.000 1.181 535 F HN 0.027 nan 8.300 nan 0.000 0.435 536 V N 7.784 127.345 119.914 -0.587 0.000 2.333 536 V HA 0.301 4.421 4.120 -0.000 0.000 0.274 536 V C 0.482 176.254 176.094 -0.536 0.000 1.028 536 V CA -0.766 61.291 62.300 -0.405 0.000 0.851 536 V CB 0.935 32.628 31.823 -0.217 0.000 1.000 536 V HN 0.603 nan 8.190 nan 0.000 0.456 537 I N 4.356 124.792 120.570 -0.223 0.000 2.710 537 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 537 I C 1.452 177.640 176.117 0.119 0.000 1.181 537 I CA 1.223 62.516 61.300 -0.012 0.000 1.430 537 I CB 0.329 38.432 38.000 0.171 0.000 1.367 537 I HN 0.905 nan 8.210 nan 0.000 0.577 538 G N 3.599 112.530 108.800 0.219 0.000 2.157 538 G HA2 0.065 4.025 3.960 -0.000 0.000 0.239 538 G HA3 0.065 4.025 3.960 -0.000 0.000 0.239 538 G C 0.467 175.592 174.900 0.375 0.000 0.982 538 G CA -0.080 45.317 45.100 0.494 0.000 0.650 538 G HN 1.639 nan 8.290 nan 0.000 0.527 539 G N -0.862 107.905 108.800 -0.055 0.000 2.612 539 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 539 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 539 G C -0.323 174.406 174.900 -0.284 0.000 1.274 539 G CA -0.155 44.636 45.100 -0.516 0.000 0.849 539 G HN 1.916 nan 8.290 nan 0.000 0.595 540 I N -2.319 118.050 120.570 -0.335 0.000 2.769 540 I HA 0.856 5.026 4.170 -0.000 0.000 0.298 540 I C 0.434 176.412 176.117 -0.232 0.000 1.128 540 I CA -0.578 60.600 61.300 -0.202 0.000 1.031 540 I CB 2.281 40.153 38.000 -0.213 0.000 1.235 540 I HN 1.017 nan 8.210 nan 0.000 0.423 541 T N -0.146 114.339 114.554 -0.116 0.000 2.902 541 T HA 0.388 4.738 4.350 -0.000 0.000 0.280 541 T C 0.531 175.150 174.700 -0.135 0.000 0.992 541 T CA -0.215 61.820 62.100 -0.109 0.000 1.015 541 T CB 0.951 69.846 68.868 0.045 0.000 1.044 541 T HN 0.567 nan 8.240 nan 0.000 0.520 542 Y N 0.414 120.722 120.300 0.014 0.000 2.509 542 Y HA 0.002 4.552 4.550 0.000 0.000 0.293 542 Y C 3.039 178.972 175.900 0.054 0.000 1.133 542 Y CA 1.039 59.141 58.100 0.003 0.000 1.283 542 Y CB -0.393 38.044 38.460 -0.038 0.000 1.001 542 Y HN 0.824 nan 8.280 nan 0.000 0.555 543 S N -0.640 115.184 115.700 0.207 0.000 2.436 543 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 543 S C 1.576 176.276 174.600 0.165 0.000 1.014 543 S CA 0.855 59.170 58.200 0.192 0.000 0.950 543 S CB -0.196 63.131 63.200 0.213 0.000 0.784 543 S HN 0.514 nan 8.310 nan 0.000 0.504 544 E N 0.822 121.104 120.200 0.138 0.000 2.216 544 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 544 E C 1.962 178.627 176.600 0.109 0.000 0.988 544 E CA 0.815 57.290 56.400 0.125 0.000 0.834 544 E CB -0.219 29.553 29.700 0.120 0.000 0.772 544 E HN 0.595 nan 8.360 nan 0.000 0.479 545 M N 0.549 120.216 119.600 0.112 0.000 2.156 545 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 545 M C 2.391 178.829 176.300 0.229 0.000 1.067 545 M CA 1.381 56.781 55.300 0.166 0.000 1.131 545 M CB -0.314 32.387 32.600 0.168 0.000 1.368 545 M HN 0.030 nan 8.290 nan 0.000 0.416 546 R N 0.005 120.612 120.500 0.178 0.000 2.193 546 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 546 R C 1.895 178.247 176.300 0.086 0.000 1.110 546 R CA 1.604 57.753 56.100 0.081 0.000 0.988 546 R CB -1.224 29.186 30.300 0.184 0.000 0.871 546 R HN 0.338 nan 8.270 nan 0.000 0.458 547 C N 1.050 120.414 119.300 0.107 0.000 2.425 547 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 547 C C 3.145 178.172 174.990 0.063 0.000 1.280 547 C CA 0.811 59.870 59.018 0.068 0.000 1.744 547 C CB -0.917 26.857 27.740 0.057 0.000 1.989 547 C HN 0.735 nan 8.230 nan 0.000 0.491 548 A N -0.628 122.256 122.820 0.106 0.000 1.933 548 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 548 A C 1.832 179.401 177.584 -0.024 0.000 1.175 548 A CA 1.564 53.623 52.037 0.037 0.000 0.628 548 A CB -0.783 18.237 19.000 0.035 0.000 0.814 548 A HN 0.711 nan 8.150 nan 0.000 0.444 549 Y N -0.402 119.823 120.300 -0.124 0.000 2.243 549 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 549 Y C 2.386 178.215 175.900 -0.119 0.000 1.124 549 Y CA 1.191 59.190 58.100 -0.168 0.000 1.159 549 Y CB -0.161 38.070 38.460 -0.383 0.000 1.008 549 Y HN 0.327 nan 8.280 nan 0.000 0.527 550 E N -0.310 119.929 120.200 0.064 0.000 2.401 550 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 550 E C 1.781 178.385 176.600 0.007 0.000 1.023 550 E CA 0.875 57.289 56.400 0.023 0.000 0.859 550 E CB 0.024 29.733 29.700 0.015 0.000 0.780 550 E HN 0.288 nan 8.360 nan 0.000 0.523 551 V N -0.402 119.510 119.914 -0.004 0.000 2.521 551 V HA -0.104 4.016 4.120 -0.000 0.000 0.239 551 V C 2.054 178.158 176.094 0.017 0.000 1.053 551 V CA 1.099 63.383 62.300 -0.028 0.000 1.073 551 V CB 0.209 31.992 31.823 -0.066 0.000 0.746 551 V HN 0.130 nan 8.190 nan 0.000 0.476 552 S N -0.763 114.934 115.700 -0.006 0.000 2.382 552 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 552 S C 1.202 175.811 174.600 0.015 0.000 1.027 552 S CA 0.928 59.129 58.200 0.001 0.000 0.991 552 S CB -0.206 62.945 63.200 -0.082 0.000 0.823 552 S HN 0.526 nan 8.310 nan 0.000 0.469 553 Q N 0.289 120.093 119.800 0.007 0.000 2.373 553 Q HA 0.336 4.676 4.340 -0.000 0.000 0.255 553 Q C 1.001 177.025 176.000 0.040 0.000 0.980 553 Q CA 0.727 56.541 55.803 0.020 0.000 0.882 553 Q CB 0.823 29.578 28.738 0.028 0.000 1.249 553 Q HN 0.273 nan 8.270 nan 0.000 0.438 554 A N 3.336 126.174 122.820 0.031 0.000 2.617 554 A HA -0.318 4.002 4.320 -0.000 0.000 0.236 554 A C 0.408 178.026 177.584 0.056 0.000 0.551 554 A CA 1.961 54.021 52.037 0.038 0.000 1.144 554 A CB -1.981 17.045 19.000 0.043 0.000 1.384 554 A HN 0.910 nan 8.150 nan 0.000 0.694 555 H N 0.251 119.307 119.070 -0.024 0.000 2.556 555 H HA 0.598 5.154 4.556 -0.000 0.000 0.240 555 H C 0.685 175.993 175.328 -0.033 0.000 1.543 555 H CA 1.065 57.096 56.048 -0.029 0.000 1.287 555 H CB -0.029 29.712 29.762 -0.035 0.000 1.529 555 H HN 0.728 nan 8.280 nan 0.000 0.553 556 K N 1.974 122.289 120.400 -0.142 0.000 2.708 556 K HA 0.105 4.425 4.320 -0.000 0.000 0.219 556 K C 1.103 177.615 176.600 -0.147 0.000 1.068 556 K CA 0.351 56.578 56.287 -0.100 0.000 1.212 556 K CB -0.605 31.857 32.500 -0.063 0.000 0.978 556 K HN 0.675 nan 8.250 nan 0.000 0.475 557 S N -2.057 113.484 115.700 -0.266 0.000 2.517 557 S HA 0.214 4.684 4.470 -0.000 0.000 0.214 557 S C 0.640 175.193 174.600 -0.077 0.000 0.991 557 S CA 0.154 58.233 58.200 -0.202 0.000 0.906 557 S CB -0.591 62.422 63.200 -0.310 0.000 0.789 557 S HN 0.754 nan 8.310 nan 0.000 0.513 558 C N 2.947 122.240 119.300 -0.011 0.000 2.811 558 C HA 0.559 5.019 4.460 -0.000 0.000 0.352 558 C C -1.502 173.503 174.990 0.025 0.000 1.098 558 C CA -0.663 58.373 59.018 0.030 0.000 1.295 558 C CB 1.146 28.930 27.740 0.075 0.000 1.758 558 C HN 0.652 nan 8.230 nan 0.000 0.488 559 E N 4.801 124.996 120.200 -0.008 0.000 2.081 559 E HA 0.571 4.921 4.350 -0.000 0.000 0.276 559 E C -0.723 175.855 176.600 -0.036 0.000 0.950 559 E CA -0.585 55.796 56.400 -0.031 0.000 0.776 559 E CB 1.191 30.867 29.700 -0.040 0.000 1.094 559 E HN 0.484 nan 8.360 nan 0.000 0.402 560 V N 5.223 125.109 119.914 -0.048 0.000 2.686 560 V HA 0.205 4.325 4.120 -0.000 0.000 0.295 560 V C 0.275 176.347 176.094 -0.038 0.000 1.055 560 V CA -0.218 62.056 62.300 -0.043 0.000 1.050 560 V CB 0.646 32.438 31.823 -0.051 0.000 0.984 560 V HN 0.751 nan 8.190 nan 0.000 0.482 561 I N 5.915 126.490 120.570 0.009 0.000 2.517 561 I HA 0.354 4.524 4.170 -0.000 0.000 0.280 561 I C -0.476 175.731 176.117 0.150 0.000 1.061 561 I CA -0.458 60.884 61.300 0.071 0.000 1.091 561 I CB 1.517 39.565 38.000 0.080 0.000 1.205 561 I HN 0.572 nan 8.210 nan 0.000 0.459 562 I N 3.259 123.888 120.570 0.098 0.000 2.577 562 I HA 1.000 5.170 4.170 -0.000 0.000 0.300 562 I C 0.443 176.471 176.117 -0.148 0.000 0.990 562 I CA 0.090 61.409 61.300 0.032 0.000 1.283 562 I CB 1.430 39.424 38.000 -0.011 0.000 1.411 562 I HN 0.483 nan 8.210 nan 0.000 0.515 563 G N 1.699 110.226 108.800 -0.455 0.000 2.606 563 G HA2 0.697 4.657 3.960 -0.000 0.000 0.300 563 G HA3 0.697 4.657 3.960 -0.000 0.000 0.300 563 G C -1.415 173.009 174.900 -0.793 0.000 1.360 563 G CA -0.109 44.280 45.100 -1.186 0.000 0.783 563 G HN 0.988 nan 8.290 nan 0.000 0.484 564 S N -2.864 112.436 115.700 -0.667 0.000 2.660 564 S HA 0.479 4.949 4.470 -0.000 0.000 0.264 564 S C 1.300 175.876 174.600 -0.039 0.000 1.131 564 S CA 1.129 59.002 58.200 -0.545 0.000 0.846 564 S CB 0.540 63.434 63.200 -0.509 0.000 1.151 564 S HN 1.680 nan 8.310 nan 0.000 0.486 565 T N -0.048 114.568 114.554 0.104 0.000 2.995 565 T HA 0.181 4.531 4.350 -0.000 0.000 0.269 565 T C 0.758 175.660 174.700 0.336 0.000 1.091 565 T CA 1.661 63.951 62.100 0.316 0.000 1.128 565 T CB -0.699 68.401 68.868 0.388 0.000 0.891 565 T HN 0.961 nan 8.240 nan 0.000 0.492 566 H N -0.918 118.175 119.070 0.039 0.000 2.902 566 H HA 0.528 5.084 4.556 -0.000 0.000 0.297 566 H C -1.897 173.399 175.328 -0.053 0.000 1.406 566 H CA -1.746 54.318 56.048 0.026 0.000 1.134 566 H CB 0.427 30.224 29.762 0.058 0.000 1.833 566 H HN 0.176 nan 8.280 nan 0.000 0.527 567 I N 2.180 122.680 120.570 -0.116 0.000 2.355 567 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 567 I C 0.257 176.241 176.117 -0.222 0.000 0.999 567 I CA -0.674 60.441 61.300 -0.309 0.000 1.163 567 I CB 1.494 39.278 38.000 -0.361 0.000 1.316 567 I HN 0.210 nan 8.210 nan 0.000 0.454 568 L N 5.749 126.799 121.223 -0.289 0.000 2.464 568 L HA 0.424 4.764 4.340 -0.000 0.000 0.264 568 L C 0.045 176.924 176.870 0.016 0.000 1.199 568 L CA 0.222 55.002 54.840 -0.100 0.000 0.818 568 L CB 0.677 42.679 42.059 -0.094 0.000 1.102 568 L HN 0.583 nan 8.230 nan 0.000 0.473 569 T N 0.775 115.381 114.554 0.086 0.000 3.032 569 T HA 0.214 4.564 4.350 -0.000 0.000 0.312 569 T C -2.110 172.645 174.700 0.091 0.000 1.078 569 T CA -0.836 61.350 62.100 0.143 0.000 1.028 569 T CB 2.213 71.197 68.868 0.194 0.000 1.091 569 T HN 0.259 nan 8.240 nan 0.000 0.457 570 P HA -0.225 nan 4.420 nan 0.000 0.216 570 P C 1.608 178.948 177.300 0.066 0.000 1.167 570 P CA 1.558 64.694 63.100 0.059 0.000 0.933 570 P CB 0.214 31.906 31.700 -0.013 0.000 0.793 571 R N -0.184 120.351 120.500 0.060 0.000 2.088 571 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 571 R C 2.369 178.689 176.300 0.033 0.000 1.136 571 R CA 1.870 58.003 56.100 0.055 0.000 0.926 571 R CB -0.729 29.607 30.300 0.059 0.000 0.837 571 R HN 0.228 nan 8.270 nan 0.000 0.429 572 K N 0.510 120.932 120.400 0.037 0.000 2.089 572 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 572 K C 2.140 178.699 176.600 -0.068 0.000 1.048 572 K CA 1.526 57.816 56.287 0.004 0.000 0.926 572 K CB -0.383 32.144 32.500 0.045 0.000 0.714 572 K HN 0.070 nan 8.250 nan 0.000 0.448 573 L N 1.052 122.242 121.223 -0.056 0.000 1.994 573 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 573 L C 1.943 178.714 176.870 -0.165 0.000 1.071 573 L CA 1.554 56.302 54.840 -0.152 0.000 0.745 573 L CB -0.500 41.537 42.059 -0.037 0.000 0.892 573 L HN 0.014 nan 8.230 nan 0.000 0.431 574 L N 0.056 121.265 121.223 -0.023 0.000 2.012 574 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 574 L C 2.339 179.192 176.870 -0.029 0.000 1.073 574 L CA 1.761 56.614 54.840 0.022 0.000 0.748 574 L CB -1.382 40.737 42.059 0.100 0.000 0.891 574 L HN 0.353 nan 8.230 nan 0.000 0.431 575 D N -0.441 119.937 120.400 -0.036 0.000 2.117 575 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 575 D C 1.689 177.944 176.300 -0.075 0.000 0.987 575 D CA 1.278 55.255 54.000 -0.038 0.000 0.829 575 D CB -0.103 40.680 40.800 -0.028 0.000 0.961 575 D HN 0.347 nan 8.370 nan 0.000 0.460 576 D N 0.010 120.310 120.400 -0.167 0.000 2.277 576 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 576 D C 2.103 178.311 176.300 -0.154 0.000 0.962 576 D CA 0.011 53.867 54.000 -0.241 0.000 0.865 576 D CB 0.030 40.489 40.800 -0.568 0.000 0.939 576 D HN 0.237 nan 8.370 nan 0.000 0.510 577 I N 0.645 121.105 120.570 -0.183 0.000 2.500 577 I HA -0.131 4.039 4.170 -0.000 0.000 0.252 577 I C 1.319 177.407 176.117 -0.048 0.000 1.142 577 I CA 0.539 61.783 61.300 -0.093 0.000 1.451 577 I CB 0.149 37.942 38.000 -0.345 0.000 1.093 577 I HN -0.057 nan 8.210 nan 0.000 0.430 578 K N -0.237 120.146 120.400 -0.029 0.000 2.525 578 K HA 0.110 4.430 4.320 -0.000 0.000 0.262 578 K C 0.906 177.520 176.600 0.022 0.000 1.049 578 K CA -0.479 55.804 56.287 -0.006 0.000 0.961 578 K CB 0.302 32.808 32.500 0.011 0.000 1.258 578 K HN -0.064 nan 8.250 nan 0.000 0.501 579 M N -1.645 117.972 119.600 0.029 0.000 2.868 579 M HA -0.260 4.220 4.480 -0.000 0.000 0.169 579 M C 1.075 177.473 176.300 0.163 0.000 0.664 579 M CA 1.146 56.489 55.300 0.072 0.000 0.646 579 M CB -2.036 30.599 32.600 0.059 0.000 2.344 579 M HN 0.780 nan 8.290 nan 0.000 0.274 580 L N 0.796 122.058 121.223 0.064 0.000 2.083 580 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 580 L C 1.468 178.234 176.870 -0.174 0.000 1.083 580 L CA 2.247 57.025 54.840 -0.103 0.000 0.752 580 L CB -0.662 41.235 42.059 -0.270 0.000 0.899 580 L HN 0.554 nan 8.230 nan 0.000 0.433 581 N N 1.065 119.679 118.700 -0.143 0.000 2.410 581 N HA 0.002 4.742 4.740 -0.000 0.000 0.231 581 N C -0.613 174.907 175.510 0.016 0.000 1.172 581 N CA -0.032 52.973 53.050 -0.074 0.000 0.849 581 N CB -0.320 38.139 38.487 -0.047 0.000 1.116 581 N HN 0.408 nan 8.380 nan 0.000 0.485 582 K N -1.573 118.866 120.400 0.065 0.000 2.635 582 K HA 0.212 4.532 4.320 -0.000 0.000 0.266 582 K C -0.999 175.681 176.600 0.134 0.000 1.033 582 K CA -0.684 55.650 56.287 0.079 0.000 0.919 582 K CB 0.442 32.970 32.500 0.047 0.000 1.289 582 K HN 0.073 nan 8.250 nan 0.000 0.463 583 S N 0.878 116.650 115.700 0.120 0.000 2.593 583 S HA 0.103 4.573 4.470 -0.000 0.000 0.300 583 S C 0.639 175.238 174.600 -0.001 0.000 1.267 583 S CA 0.019 58.297 58.200 0.131 0.000 1.065 583 S CB 0.044 63.297 63.200 0.088 0.000 0.807 583 S HN 0.782 nan 8.310 nan 0.000 0.499 584 K N 1.814 122.111 120.400 -0.172 0.000 2.511 584 K HA 0.385 4.705 4.320 -0.000 0.000 0.280 584 K C 0.332 176.861 176.600 -0.119 0.000 1.008 584 K CA 0.463 56.563 56.287 -0.312 0.000 1.050 584 K CB -1.507 30.689 32.500 -0.505 0.000 0.889 584 K HN 1.086 nan 8.250 nan 0.000 0.484 585 D N 0.000 120.340 120.400 -0.100 0.000 6.856 585 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 585 D CA 0.000 53.971 54.000 -0.048 0.000 0.868 585 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 585 D HN 0.000 nan 8.370 nan 0.000 0.683