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 2gep_1_A DATA FIRST_RESID 81 DATA SEQUENCE LLRCRLPGGV ITTKQWQAID KFAGENTIYG SIRLTNRQTF QFHGILKKNV DATA SEQUENCE KPVHQMLHSV GLDALATAND MNRNVLCTSN PYESQLHAEA YEWAKKISEH DATA SEQUENCE LLPRTXXXXX XXXXXXXXXX XXXEPILGQT YLPRKFKTTV VIPPQNDIDL DATA SEQUENCE HANDMNFVAI AENGKLVGFN LLVGGGLSIE HGNKKTYART ASEFGYLPLE DATA SEQUENCE HTLAVAEAVV TTQRDWGNRT DRKNAKTKYT LERVGVETFK AEVERRAGIK DATA SEQUENCE FEPIRPYEFT GRGDRIGWVK GIDDNWHLTL FIENGRILDY PARPLKTGLL DATA SEQUENCE EIAKIHKGDF RITANQNLII AGVPESEKAK IEKIAKESGL MNAVTPQREN DATA SEQUENCE SMACVSFPTC PLAMAEAERF LPSFIDNIDN LMAKHGVSDE HIVMRVTGCP DATA SEQUENCE NGCGRAMLAE VGLVGKAPGR YNLHLGGNRI GTRIPRMYKE NITEPEILAS DATA SEQUENCE LDELIGRWAK EREAGEGFGD FTVRAGIIRP VLDPARDLWD 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 81 L HA 0.000 nan 4.340 nan 0.000 0.249 81 L C 0.000 176.896 176.870 0.044 0.000 1.165 81 L CA 0.000 54.890 54.840 0.084 0.000 0.813 81 L CB 0.000 42.108 42.059 0.082 0.000 0.961 82 L N 4.579 125.808 121.223 0.010 0.000 2.410 82 L HA 0.709 5.049 4.340 0.000 0.000 0.270 82 L C -1.260 175.491 176.870 -0.198 0.000 0.983 82 L CA -0.103 54.718 54.840 -0.032 0.000 0.822 82 L CB 1.838 43.944 42.059 0.077 0.000 1.285 82 L HN 0.740 nan 8.230 nan 0.000 0.409 83 R N 4.195 124.549 120.500 -0.243 0.000 2.561 83 R HA 0.560 4.900 4.340 0.000 0.000 0.297 83 R C -1.456 174.583 176.300 -0.435 0.000 0.969 83 R CA -0.573 55.295 56.100 -0.386 0.000 0.879 83 R CB 1.587 31.735 30.300 -0.254 0.000 1.178 83 R HN 0.842 nan 8.270 nan 0.000 0.445 84 C N 3.235 122.089 119.300 -0.744 0.000 2.398 84 C HA 0.441 4.901 4.460 0.000 0.000 0.364 84 C C 0.314 175.091 174.990 -0.354 0.000 1.219 84 C CA -0.503 58.146 59.018 -0.614 0.000 2.312 84 C CB 0.616 27.683 27.740 -1.122 0.000 2.428 84 C HN 0.878 nan 8.230 nan 0.000 0.564 85 R N 3.156 123.545 120.500 -0.184 0.000 2.234 85 R HA 0.588 4.928 4.340 0.000 0.000 0.324 85 R C -1.369 174.901 176.300 -0.050 0.000 1.054 85 R CA -0.347 55.696 56.100 -0.096 0.000 0.912 85 R CB 0.476 30.745 30.300 -0.052 0.000 1.030 85 R HN 0.681 nan 8.270 nan 0.000 0.455 86 L N 7.583 128.795 121.223 -0.018 0.000 2.440 86 L HA 0.371 4.711 4.340 0.000 0.000 0.261 86 L C -2.518 174.410 176.870 0.096 0.000 1.382 86 L CA -1.760 53.115 54.840 0.059 0.000 0.871 86 L CB 1.728 43.834 42.059 0.078 0.000 1.052 86 L HN 0.575 nan 8.230 nan 0.000 0.509 87 P HA 0.174 nan 4.420 nan 0.000 0.260 87 P C 0.987 178.453 177.300 0.277 0.000 1.172 87 P CA 1.392 64.577 63.100 0.141 0.000 0.760 87 P CB 0.547 32.298 31.700 0.086 0.000 0.773 88 G N 3.459 112.391 108.800 0.219 0.000 2.175 88 G HA2 -0.231 3.729 3.960 0.000 0.000 0.265 88 G HA3 -0.231 3.729 3.960 0.000 0.000 0.265 88 G C 0.987 175.979 174.900 0.153 0.000 0.979 88 G CA 0.606 45.853 45.100 0.245 0.000 0.663 88 G HN 1.038 nan 8.290 nan 0.000 0.533 89 G N -2.400 106.478 108.800 0.131 0.000 2.166 89 G HA2 -0.075 3.885 3.960 0.000 0.000 0.260 89 G HA3 -0.075 3.885 3.960 0.000 0.000 0.260 89 G C 0.477 175.433 174.900 0.093 0.000 0.986 89 G CA 0.754 45.918 45.100 0.107 0.000 0.683 89 G HN 1.665 nan 8.290 nan 0.000 0.527 90 V N 1.292 121.237 119.914 0.051 0.000 2.455 90 V HA 0.599 4.719 4.120 0.000 0.000 0.273 90 V C 0.651 176.799 176.094 0.090 0.000 1.045 90 V CA 0.139 62.426 62.300 -0.022 0.000 0.976 90 V CB 1.505 33.138 31.823 -0.317 0.000 0.993 90 V HN 0.427 nan 8.190 nan 0.000 0.475 91 I N 4.841 125.486 120.570 0.126 0.000 2.582 91 I HA 0.536 4.706 4.170 0.000 0.000 0.292 91 I C 0.484 176.655 176.117 0.090 0.000 1.066 91 I CA -0.301 61.097 61.300 0.163 0.000 1.053 91 I CB 2.534 40.705 38.000 0.285 0.000 1.241 91 I HN 0.756 nan 8.210 nan 0.000 0.421 92 T N 1.453 116.035 114.554 0.047 0.000 2.828 92 T HA 0.155 4.506 4.350 0.000 0.000 0.290 92 T C 1.309 175.943 174.700 -0.111 0.000 1.019 92 T CA 0.201 62.278 62.100 -0.038 0.000 1.031 92 T CB 1.236 70.093 68.868 -0.018 0.000 1.001 92 T HN 0.781 nan 8.240 nan 0.000 0.531 93 T N -1.116 113.296 114.554 -0.236 0.000 2.833 93 T HA -0.103 4.247 4.350 0.000 0.000 0.269 93 T C 1.729 176.392 174.700 -0.061 0.000 1.054 93 T CA 1.100 63.020 62.100 -0.300 0.000 1.135 93 T CB -0.339 68.345 68.868 -0.307 0.000 0.869 93 T HN 0.739 nan 8.240 nan 0.000 0.466 94 K N 1.082 121.458 120.400 -0.040 0.000 2.025 94 K HA -0.124 4.196 4.320 0.000 0.000 0.207 94 K C 2.570 179.179 176.600 0.016 0.000 1.049 94 K CA 1.283 57.568 56.287 -0.004 0.000 0.933 94 K CB -0.189 32.305 32.500 -0.011 0.000 0.714 94 K HN 0.443 nan 8.250 nan 0.000 0.438 95 Q N -0.394 119.419 119.800 0.022 0.000 2.124 95 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 95 Q C 1.860 177.862 176.000 0.002 0.000 0.977 95 Q CA 1.478 57.294 55.803 0.023 0.000 0.850 95 Q CB -0.218 28.551 28.738 0.052 0.000 0.901 95 Q HN 0.517 nan 8.270 nan 0.000 0.429 96 W N 1.804 123.033 121.300 -0.118 0.000 2.335 96 W HA -0.237 4.423 4.660 0.000 0.000 0.311 96 W C 1.583 178.066 176.519 -0.061 0.000 1.213 96 W CA 1.694 58.972 57.345 -0.111 0.000 1.274 96 W CB -0.092 29.289 29.460 -0.133 0.000 1.148 96 W HN 0.272 nan 8.180 nan 0.000 0.498 97 Q N -0.032 119.828 119.800 0.101 0.000 2.181 97 Q HA -0.185 4.155 4.340 0.000 0.000 0.205 97 Q C 2.419 178.394 176.000 -0.043 0.000 0.980 97 Q CA 1.903 57.737 55.803 0.050 0.000 0.862 97 Q CB -0.495 28.288 28.738 0.075 0.000 0.905 97 Q HN 0.276 nan 8.270 nan 0.000 0.429 98 A N 1.329 124.118 122.820 -0.053 0.000 1.897 98 A HA -0.131 4.189 4.320 0.000 0.000 0.215 98 A C 2.100 179.650 177.584 -0.057 0.000 1.181 98 A CA 1.190 53.206 52.037 -0.035 0.000 0.620 98 A CB -0.674 18.319 19.000 -0.012 0.000 0.821 98 A HN 0.527 nan 8.150 nan 0.000 0.443 99 I N -1.941 118.517 120.570 -0.186 0.000 2.353 99 I HA -0.124 4.046 4.170 0.000 0.000 0.248 99 I C 1.890 177.919 176.117 -0.148 0.000 1.119 99 I CA 2.308 63.515 61.300 -0.154 0.000 1.417 99 I CB -0.535 37.078 38.000 -0.646 0.000 1.078 99 I HN 0.264 nan 8.210 nan 0.000 0.421 100 D N 1.522 121.706 120.400 -0.360 0.000 2.117 100 D HA -0.278 4.362 4.640 0.000 0.000 0.197 100 D C 2.268 178.519 176.300 -0.081 0.000 0.987 100 D CA 1.715 55.572 54.000 -0.238 0.000 0.829 100 D CB -0.043 40.639 40.800 -0.198 0.000 0.961 100 D HN 0.410 nan 8.370 nan 0.000 0.460 101 K N -0.919 119.448 120.400 -0.054 0.000 2.002 101 K HA -0.174 4.146 4.320 0.000 0.000 0.209 101 K C 2.103 178.667 176.600 -0.060 0.000 1.048 101 K CA 1.120 57.386 56.287 -0.036 0.000 0.930 101 K CB -0.470 32.025 32.500 -0.010 0.000 0.714 101 K HN 0.195 nan 8.250 nan 0.000 0.438 102 F N 1.394 121.230 119.950 -0.189 0.000 2.095 102 F HA -0.189 4.338 4.527 0.000 0.000 0.298 102 F C 2.053 177.608 175.800 -0.409 0.000 1.104 102 F CA 1.694 59.510 58.000 -0.308 0.000 1.232 102 F CB -0.477 38.278 39.000 -0.408 0.000 0.987 102 F HN 0.154 nan 8.300 nan 0.000 0.475 103 A N 0.145 122.865 122.820 -0.167 0.000 1.908 103 A HA -0.099 4.221 4.320 0.000 0.000 0.218 103 A C 2.467 179.970 177.584 -0.135 0.000 1.181 103 A CA 1.824 53.792 52.037 -0.115 0.000 0.627 103 A CB -1.793 17.335 19.000 0.213 0.000 0.818 103 A HN 0.518 nan 8.150 nan 0.000 0.445 104 G N -0.852 107.875 108.800 -0.122 0.000 2.394 104 G HA2 -0.103 3.857 3.960 0.000 0.000 0.215 104 G HA3 -0.103 3.857 3.960 0.000 0.000 0.215 104 G C 1.467 176.267 174.900 -0.166 0.000 1.165 104 G CA 0.948 45.982 45.100 -0.110 0.000 0.784 104 G HN 0.646 nan 8.290 nan 0.000 0.535 105 E N 0.108 120.163 120.200 -0.242 0.000 2.140 105 E HA 0.024 4.374 4.350 0.000 0.000 0.191 105 E C 1.296 177.672 176.600 -0.372 0.000 0.973 105 E CA 0.499 56.741 56.400 -0.263 0.000 0.829 105 E CB 0.102 29.661 29.700 -0.235 0.000 0.781 105 E HN 0.454 nan 8.360 nan 0.000 0.466 106 N N 0.546 118.853 118.700 -0.654 0.000 2.238 106 N HA 0.024 4.764 4.740 0.000 0.000 0.222 106 N C -0.759 174.409 175.510 -0.571 0.000 1.133 106 N CA 0.049 52.630 53.050 -0.781 0.000 0.854 106 N CB 1.007 38.631 38.487 -1.438 0.000 1.041 106 N HN 0.019 nan 8.380 nan 0.000 0.510 107 T N -3.436 110.909 114.554 -0.348 0.000 2.907 107 T HA 0.446 4.796 4.350 0.000 0.000 0.292 107 T C 1.002 175.655 174.700 -0.077 0.000 1.043 107 T CA -0.802 61.223 62.100 -0.125 0.000 1.003 107 T CB 1.499 70.375 68.868 0.014 0.000 1.084 107 T HN -0.144 nan 8.240 nan 0.000 0.483 108 I N 0.059 120.599 120.570 -0.050 0.000 2.179 108 I HA -0.131 4.039 4.170 0.000 0.000 0.242 108 I C 1.810 177.781 176.117 -0.242 0.000 1.088 108 I CA 1.565 62.753 61.300 -0.187 0.000 1.357 108 I CB -0.301 37.514 38.000 -0.308 0.000 1.051 108 I HN 0.696 nan 8.210 nan 0.000 0.409 109 Y N 0.663 120.997 120.300 0.057 0.000 2.395 109 Y HA 0.080 4.630 4.550 -0.000 0.000 0.293 109 Y C 2.022 177.947 175.900 0.042 0.000 1.123 109 Y CA 0.746 58.887 58.100 0.068 0.000 1.227 109 Y CB -0.586 37.951 38.460 0.130 0.000 1.012 109 Y HN 0.305 nan 8.280 nan 0.000 0.552 110 G N 0.674 109.562 108.800 0.148 0.000 2.203 110 G HA2 -0.295 3.665 3.960 0.000 0.000 0.263 110 G HA3 -0.295 3.665 3.960 0.000 0.000 0.263 110 G C 0.135 175.093 174.900 0.097 0.000 1.012 110 G CA 0.487 45.625 45.100 0.063 0.000 0.749 110 G HN 0.501 nan 8.290 nan 0.000 0.512 111 S N -1.251 114.562 115.700 0.189 0.000 2.689 111 S HA 0.844 5.314 4.470 0.000 0.000 0.306 111 S C -0.256 174.472 174.600 0.214 0.000 1.104 111 S CA -1.134 57.166 58.200 0.167 0.000 0.973 111 S CB 2.632 65.938 63.200 0.178 0.000 1.121 111 S HN 0.512 nan 8.310 nan 0.000 0.523 112 I N 1.306 121.962 120.570 0.144 0.000 2.378 112 I HA 0.496 4.666 4.170 0.000 0.000 0.291 112 I C -0.300 175.883 176.117 0.110 0.000 0.992 112 I CA -0.610 60.742 61.300 0.086 0.000 1.154 112 I CB 1.707 39.676 38.000 -0.052 0.000 1.315 112 I HN 0.562 nan 8.210 nan 0.000 0.448 113 R N 7.385 127.943 120.500 0.097 0.000 2.288 113 R HA 0.518 4.858 4.340 0.000 0.000 0.326 113 R C -1.462 174.894 176.300 0.094 0.000 0.959 113 R CA -0.425 55.743 56.100 0.114 0.000 0.834 113 R CB 0.536 30.942 30.300 0.177 0.000 1.157 113 R HN 0.561 nan 8.270 nan 0.000 0.470 114 L N 3.970 125.255 121.223 0.102 0.000 2.367 114 L HA 0.354 4.694 4.340 0.000 0.000 0.275 114 L C 0.865 177.766 176.870 0.052 0.000 1.129 114 L CA -0.421 54.480 54.840 0.102 0.000 0.839 114 L CB 1.059 43.172 42.059 0.089 0.000 1.133 114 L HN 0.772 nan 8.230 nan 0.000 0.453 115 T N -1.548 113.026 114.554 0.033 0.000 2.936 115 T HA 0.196 4.546 4.350 0.000 0.000 0.282 115 T C 0.779 175.480 174.700 0.002 0.000 1.003 115 T CA -0.829 61.275 62.100 0.006 0.000 1.005 115 T CB 1.180 70.033 68.868 -0.025 0.000 1.097 115 T HN 0.647 nan 8.240 nan 0.000 0.532 116 N N -0.107 118.590 118.700 -0.006 0.000 2.434 116 N HA 0.009 4.750 4.740 0.000 0.000 0.196 116 N C 0.756 176.256 175.510 -0.016 0.000 1.183 116 N CA -0.084 52.961 53.050 -0.009 0.000 0.849 116 N CB -0.246 38.235 38.487 -0.009 0.000 0.992 116 N HN 0.605 nan 8.380 nan 0.000 0.460 117 R N 0.276 120.765 120.500 -0.018 0.000 2.633 117 R HA 0.194 4.534 4.340 0.000 0.000 0.348 117 R C -0.394 175.902 176.300 -0.007 0.000 1.100 117 R CA -0.178 55.909 56.100 -0.021 0.000 1.068 117 R CB -0.007 30.273 30.300 -0.034 0.000 1.351 117 R HN 0.278 nan 8.270 nan 0.000 0.575 118 Q N -0.241 119.564 119.800 0.008 0.000 2.487 118 Q HA -0.213 4.127 4.340 0.000 0.000 0.279 118 Q C -0.141 175.888 176.000 0.049 0.000 1.228 118 Q CA 1.334 57.158 55.803 0.034 0.000 0.873 118 Q CB -1.339 27.424 28.738 0.043 0.000 1.260 118 Q HN 0.367 nan 8.270 nan 0.000 0.471 119 T N -1.542 113.027 114.554 0.025 0.000 2.618 119 T HA 0.819 5.169 4.350 0.000 0.000 0.293 119 T C -1.662 173.053 174.700 0.024 0.000 1.093 119 T CA -0.365 61.733 62.100 -0.004 0.000 1.061 119 T CB 1.246 70.017 68.868 -0.161 0.000 1.498 119 T HN 0.320 nan 8.240 nan 0.000 0.494 120 F N -0.207 119.668 119.950 -0.124 0.000 2.640 120 F HA 0.891 5.418 4.527 0.000 0.000 0.324 120 F C -0.757 174.845 175.800 -0.331 0.000 1.077 120 F CA -1.025 56.852 58.000 -0.205 0.000 0.965 120 F CB 1.428 40.274 39.000 -0.257 0.000 1.351 120 F HN 0.509 nan 8.300 nan 0.000 0.487 121 Q N 0.700 120.384 119.800 -0.193 0.000 2.421 121 Q HA 0.532 4.872 4.340 0.000 0.000 0.280 121 Q C -2.003 173.788 176.000 -0.349 0.000 1.085 121 Q CA -0.855 54.723 55.803 -0.375 0.000 0.807 121 Q CB 3.222 31.727 28.738 -0.388 0.000 1.405 121 Q HN 0.590 nan 8.270 nan 0.000 0.419 122 F N 0.329 120.199 119.950 -0.134 0.000 2.492 122 F HA 0.446 4.973 4.527 0.000 0.000 0.327 122 F C -0.218 175.462 175.800 -0.200 0.000 1.079 122 F CA -0.516 57.462 58.000 -0.037 0.000 0.967 122 F CB 1.436 40.511 39.000 0.125 0.000 1.169 122 F HN 0.453 nan 8.300 nan 0.000 0.472 123 H N -0.526 118.758 119.070 0.357 0.000 2.547 123 H HA 0.532 5.089 4.556 0.000 0.000 0.342 123 H C 0.195 175.773 175.328 0.417 0.000 1.048 123 H CA -0.493 55.722 56.048 0.278 0.000 1.204 123 H CB 1.769 31.567 29.762 0.060 0.000 1.493 123 H HN 0.828 nan 8.280 nan 0.000 0.511 124 G N 3.506 112.580 108.800 0.456 0.000 2.470 124 G HA2 -0.229 3.731 3.960 0.000 0.000 0.286 124 G HA3 -0.229 3.731 3.960 0.000 0.000 0.286 124 G C -0.366 174.640 174.900 0.178 0.000 1.115 124 G CA -0.436 44.850 45.100 0.311 0.000 1.122 124 G HN 0.560 nan 8.290 nan 0.000 0.522 125 I N 1.436 122.110 120.570 0.174 0.000 2.371 125 I HA 0.207 4.377 4.170 0.000 0.000 0.290 125 I C 0.844 177.013 176.117 0.086 0.000 1.028 125 I CA -1.075 60.306 61.300 0.135 0.000 1.345 125 I CB 0.882 38.999 38.000 0.194 0.000 1.407 125 I HN 0.017 nan 8.210 nan 0.000 0.501 126 L N 6.661 127.904 121.223 0.033 0.000 2.455 126 L HA 0.042 4.382 4.340 0.000 0.000 0.272 126 L C 1.541 178.439 176.870 0.045 0.000 1.174 126 L CA 0.419 55.271 54.840 0.021 0.000 0.869 126 L CB -0.052 41.994 42.059 -0.021 0.000 1.130 126 L HN 0.670 nan 8.230 nan 0.000 0.474 127 K N 2.674 123.102 120.400 0.046 0.000 2.293 127 K HA -0.203 4.117 4.320 0.000 0.000 0.204 127 K C 1.503 178.134 176.600 0.052 0.000 1.045 127 K CA 1.673 57.992 56.287 0.054 0.000 0.933 127 K CB 0.248 32.774 32.500 0.044 0.000 0.736 127 K HN 0.520 nan 8.250 nan 0.000 0.463 128 K N -0.269 120.153 120.400 0.037 0.000 2.155 128 K HA -0.017 4.304 4.320 0.000 0.000 0.203 128 K C 1.228 177.859 176.600 0.052 0.000 1.052 128 K CA 1.104 57.410 56.287 0.032 0.000 0.948 128 K CB 0.024 32.530 32.500 0.010 0.000 0.728 128 K HN 0.139 nan 8.250 nan 0.000 0.448 129 N N 0.754 119.493 118.700 0.064 0.000 2.398 129 N HA -0.014 4.726 4.740 0.000 0.000 0.188 129 N C 1.402 177.024 175.510 0.187 0.000 1.122 129 N CA 0.291 53.417 53.050 0.128 0.000 0.866 129 N CB 0.308 38.844 38.487 0.082 0.000 0.970 129 N HN -0.055 nan 8.380 nan 0.000 0.462 130 V N 1.060 121.056 119.914 0.136 0.000 2.407 130 V HA -0.192 3.928 4.120 0.000 0.000 0.248 130 V C 2.337 178.544 176.094 0.189 0.000 1.055 130 V CA 1.523 63.908 62.300 0.142 0.000 1.049 130 V CB -0.203 31.702 31.823 0.138 0.000 0.662 130 V HN 0.262 nan 8.190 nan 0.000 0.455 131 K N 0.010 120.504 120.400 0.156 0.000 1.991 131 K HA -0.063 4.257 4.320 0.000 0.000 0.207 131 K C -0.159 176.523 176.600 0.135 0.000 1.045 131 K CA 1.555 57.936 56.287 0.156 0.000 0.937 131 K CB -1.185 31.368 32.500 0.089 0.000 0.720 131 K HN 0.429 nan 8.250 nan 0.000 0.438 132 P HA -0.126 nan 4.420 nan 0.000 0.228 132 P C 1.428 178.753 177.300 0.042 0.000 1.151 132 P CA 0.889 64.056 63.100 0.113 0.000 0.770 132 P CB 0.090 31.882 31.700 0.154 0.000 0.786 133 V N 0.134 120.000 119.914 -0.080 0.000 2.379 133 V HA -0.182 3.939 4.120 0.000 0.000 0.245 133 V C 2.522 178.386 176.094 -0.382 0.000 1.044 133 V CA 1.712 63.691 62.300 -0.536 0.000 1.036 133 V CB -1.085 30.342 31.823 -0.660 0.000 0.664 133 V HN 0.155 nan 8.190 nan 0.000 0.453 134 H N -0.421 118.603 119.070 -0.077 0.000 2.389 134 H HA -0.095 4.461 4.556 0.000 0.000 0.299 134 H C 2.343 177.678 175.328 0.011 0.000 1.081 134 H CA 1.799 57.831 56.048 -0.027 0.000 1.345 134 H CB -0.033 29.719 29.762 -0.017 0.000 1.393 134 H HN 0.560 nan 8.280 nan 0.000 0.520 135 Q N -0.134 119.731 119.800 0.109 0.000 2.084 135 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 135 Q C 2.500 178.556 176.000 0.094 0.000 0.978 135 Q CA 0.917 56.778 55.803 0.096 0.000 0.844 135 Q CB 0.003 28.783 28.738 0.069 0.000 0.898 135 Q HN 0.276 nan 8.270 nan 0.000 0.426 136 M N 0.854 120.468 119.600 0.023 0.000 2.086 136 M HA -0.171 4.309 4.480 0.000 0.000 0.261 136 M C 1.931 178.240 176.300 0.014 0.000 1.067 136 M CA 1.607 56.908 55.300 0.002 0.000 1.116 136 M CB -0.494 32.058 32.600 -0.080 0.000 1.348 136 M HN 0.264 nan 8.290 nan 0.000 0.407 137 L N -0.825 120.398 121.223 -0.000 0.000 1.989 137 L HA -0.289 4.052 4.340 0.000 0.000 0.211 137 L C 2.877 179.789 176.870 0.070 0.000 1.071 137 L CA 1.798 56.664 54.840 0.044 0.000 0.749 137 L CB -1.387 40.695 42.059 0.038 0.000 0.890 137 L HN 0.477 nan 8.230 nan 0.000 0.431 138 H N 0.419 119.504 119.070 0.026 0.000 2.352 138 H HA -0.170 4.386 4.556 0.000 0.000 0.299 138 H C 2.368 177.710 175.328 0.024 0.000 1.097 138 H CA 1.962 58.028 56.048 0.030 0.000 1.311 138 H CB 0.176 29.959 29.762 0.034 0.000 1.377 138 H HN 0.429 nan 8.280 nan 0.000 0.504 139 S N 0.466 116.217 115.700 0.085 0.000 2.419 139 S HA -0.110 4.360 4.470 0.000 0.000 0.233 139 S C 1.961 176.539 174.600 -0.037 0.000 1.016 139 S CA 1.326 59.547 58.200 0.036 0.000 0.974 139 S CB -0.876 62.366 63.200 0.071 0.000 0.786 139 S HN 0.336 nan 8.310 nan 0.000 0.492 140 V N -2.345 117.548 119.914 -0.034 0.000 3.342 140 V HA 0.719 4.839 4.120 0.000 0.000 0.322 140 V C 1.323 177.388 176.094 -0.049 0.000 1.370 140 V CA -0.213 62.070 62.300 -0.029 0.000 1.170 140 V CB -0.973 30.850 31.823 0.001 0.000 1.101 140 V HN 0.712 nan 8.190 nan 0.000 0.442 141 G N 0.443 109.170 108.800 -0.122 0.000 2.147 141 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 141 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 141 G C -0.383 174.484 174.900 -0.056 0.000 1.005 141 G CA 0.441 45.465 45.100 -0.128 0.000 0.713 141 G HN 0.442 nan 8.290 nan 0.000 0.515 142 L N 0.677 121.888 121.223 -0.020 0.000 2.332 142 L HA 0.865 5.205 4.340 0.000 0.000 0.269 142 L C 0.114 177.010 176.870 0.043 0.000 1.016 142 L CA -0.684 54.176 54.840 0.032 0.000 0.809 142 L CB 1.778 43.886 42.059 0.082 0.000 1.280 142 L HN 0.524 nan 8.230 nan 0.000 0.447 143 D N -0.829 119.593 120.400 0.037 0.000 2.655 143 D HA 0.564 5.204 4.640 0.000 0.000 0.229 143 D C -0.901 175.402 176.300 0.005 0.000 1.229 143 D CA -0.613 53.419 54.000 0.052 0.000 0.807 143 D CB 1.515 42.350 40.800 0.059 0.000 1.514 143 D HN 0.525 nan 8.370 nan 0.000 0.444 144 A N 1.044 123.882 122.820 0.029 0.000 2.684 144 A HA 0.344 4.665 4.320 0.000 0.000 0.288 144 A C -0.198 177.380 177.584 -0.012 0.000 1.337 144 A CA -0.425 51.598 52.037 -0.024 0.000 0.946 144 A CB -0.506 18.491 19.000 -0.005 0.000 1.093 144 A HN 0.465 nan 8.150 nan 0.000 0.543 145 L N 0.363 121.578 121.223 -0.013 0.000 2.410 145 L HA 0.464 4.804 4.340 0.000 0.000 0.273 145 L C 1.112 177.950 176.870 -0.053 0.000 1.144 145 L CA 1.235 56.057 54.840 -0.030 0.000 0.863 145 L CB 0.207 42.251 42.059 -0.025 0.000 1.140 145 L HN 1.026 nan 8.230 nan 0.000 0.463 146 A N 2.242 125.020 122.820 -0.070 0.000 2.860 146 A HA -0.245 4.075 4.320 0.000 0.000 0.267 146 A C 1.237 178.783 177.584 -0.064 0.000 1.421 146 A CA 1.387 53.374 52.037 -0.083 0.000 0.831 146 A CB -2.695 16.250 19.000 -0.091 0.000 1.041 146 A HN 1.008 nan 8.150 nan 0.000 0.623 147 T N -4.174 110.342 114.554 -0.064 0.000 3.107 147 T HA 0.586 4.936 4.350 0.000 0.000 0.249 147 T C 0.822 175.484 174.700 -0.063 0.000 1.096 147 T CA 0.996 63.052 62.100 -0.074 0.000 1.012 147 T CB 0.430 69.232 68.868 -0.110 0.000 0.977 147 T HN 2.105 nan 8.240 nan 0.000 0.527 148 A N 1.587 124.378 122.820 -0.048 0.000 2.898 148 A HA 0.348 4.668 4.320 0.000 0.000 0.192 148 A C 0.014 177.583 177.584 -0.025 0.000 1.090 148 A CA -0.920 51.097 52.037 -0.034 0.000 1.273 148 A CB -0.231 18.751 19.000 -0.029 0.000 1.224 148 A HN 0.594 nan 8.150 nan 0.000 0.561 149 N N -1.077 117.603 118.700 -0.033 0.000 3.102 149 N HA 0.288 5.028 4.740 0.000 0.000 0.299 149 N C -1.405 174.091 175.510 -0.023 0.000 1.482 149 N CA -0.829 52.201 53.050 -0.032 0.000 0.785 149 N CB 0.691 39.140 38.487 -0.065 0.000 1.680 149 N HN -0.089 nan 8.380 nan 0.000 0.594 150 D N 0.497 120.890 120.400 -0.011 0.000 2.982 150 D HA 0.219 4.859 4.640 0.000 0.000 0.238 150 D C -0.044 176.253 176.300 -0.006 0.000 1.168 150 D CA 0.630 54.644 54.000 0.024 0.000 0.947 150 D CB -0.099 40.741 40.800 0.067 0.000 1.147 150 D HN 0.363 nan 8.370 nan 0.000 0.450 151 M N -0.665 118.914 119.600 -0.035 0.000 2.708 151 M HA 0.178 4.658 4.480 0.000 0.000 0.280 151 M C 0.297 176.613 176.300 0.027 0.000 1.095 151 M CA -0.880 54.382 55.300 -0.063 0.000 0.822 151 M CB 1.538 34.034 32.600 -0.174 0.000 1.698 151 M HN -0.231 nan 8.290 nan 0.000 0.475 152 N N 1.203 119.914 118.700 0.018 0.000 2.408 152 N HA 0.163 4.903 4.740 0.000 0.000 0.257 152 N C -0.823 174.713 175.510 0.043 0.000 1.064 152 N CA -0.348 52.759 53.050 0.095 0.000 0.952 152 N CB 0.773 39.306 38.487 0.077 0.000 1.093 152 N HN 0.372 nan 8.380 nan 0.000 0.490 153 R N 1.957 122.487 120.500 0.050 0.000 2.668 153 R HA 0.097 4.437 4.340 0.000 0.000 0.268 153 R C 0.105 176.407 176.300 0.004 0.000 1.232 153 R CA -0.515 55.588 56.100 0.005 0.000 1.166 153 R CB -0.406 29.889 30.300 -0.008 0.000 1.179 153 R HN 0.628 nan 8.270 nan 0.000 0.606 154 N N -0.154 118.534 118.700 -0.019 0.000 2.359 154 N HA -0.045 4.695 4.740 0.000 0.000 0.261 154 N C -0.946 174.569 175.510 0.008 0.000 1.267 154 N CA 0.275 53.317 53.050 -0.013 0.000 0.864 154 N CB 0.424 38.892 38.487 -0.032 0.000 1.063 154 N HN 0.148 nan 8.380 nan 0.000 0.474 155 V N 5.341 125.271 119.914 0.027 0.000 2.455 155 V HA 0.169 4.289 4.120 0.000 0.000 0.273 155 V C 0.613 176.736 176.094 0.047 0.000 1.045 155 V CA -0.463 61.861 62.300 0.040 0.000 0.976 155 V CB 0.197 32.049 31.823 0.048 0.000 0.993 155 V HN 0.453 nan 8.190 nan 0.000 0.475 156 L N 4.420 125.664 121.223 0.036 0.000 2.399 156 L HA 0.637 4.977 4.340 0.000 0.000 0.266 156 L C -0.043 176.868 176.870 0.069 0.000 1.114 156 L CA -0.252 54.615 54.840 0.045 0.000 0.804 156 L CB 1.364 43.429 42.059 0.011 0.000 1.146 156 L HN 0.695 nan 8.230 nan 0.000 0.451 157 C N 0.583 119.942 119.300 0.098 0.000 2.701 157 C HA 0.375 4.835 4.460 0.000 0.000 0.336 157 C C 0.373 175.443 174.990 0.133 0.000 1.123 157 C CA -0.364 58.729 59.018 0.125 0.000 1.326 157 C CB 1.452 29.295 27.740 0.171 0.000 1.833 157 C HN 0.887 nan 8.230 nan 0.000 0.473 158 T N 4.978 119.609 114.554 0.129 0.000 2.765 158 T HA 0.012 4.362 4.350 0.000 0.000 0.275 158 T C 1.345 176.148 174.700 0.172 0.000 1.007 158 T CA 0.807 62.978 62.100 0.119 0.000 1.175 158 T CB 0.677 69.625 68.868 0.132 0.000 0.993 158 T HN 0.858 nan 8.240 nan 0.000 0.510 159 S N 2.799 118.539 115.700 0.067 0.000 2.414 159 S HA -0.013 4.457 4.470 0.000 0.000 0.227 159 S C 1.243 175.721 174.600 -0.203 0.000 1.022 159 S CA 0.401 58.587 58.200 -0.024 0.000 0.958 159 S CB -0.005 63.151 63.200 -0.073 0.000 0.797 159 S HN 0.705 nan 8.310 nan 0.000 0.493 160 N N 1.198 119.808 118.700 -0.150 0.000 2.726 160 N HA 0.267 5.007 4.740 0.000 0.000 0.253 160 N C -3.205 172.195 175.510 -0.183 0.000 1.530 160 N CA -1.796 51.132 53.050 -0.205 0.000 0.772 160 N CB 0.928 39.299 38.487 -0.193 0.000 1.220 160 N HN 0.055 nan 8.380 nan 0.000 0.508 161 P HA 0.026 nan 4.420 nan 0.000 0.268 161 P C 0.608 177.859 177.300 -0.082 0.000 1.205 161 P CA -0.072 62.988 63.100 -0.067 0.000 0.771 161 P CB 0.942 32.699 31.700 0.093 0.000 0.858 162 Y N 0.044 120.398 120.300 0.090 0.000 2.165 162 Y HA -0.150 4.400 4.550 0.000 0.000 0.286 162 Y C 1.675 177.611 175.900 0.061 0.000 1.155 162 Y CA 1.500 59.642 58.100 0.070 0.000 1.164 162 Y CB -0.469 38.031 38.460 0.067 0.000 0.978 162 Y HN 0.319 nan 8.280 nan 0.000 0.513 163 E N 0.599 120.924 120.200 0.208 0.000 1.924 163 E HA 0.129 4.479 4.350 0.000 0.000 0.261 163 E C 0.974 177.647 176.600 0.122 0.000 1.088 163 E CA -0.039 56.444 56.400 0.139 0.000 0.909 163 E CB 0.811 30.585 29.700 0.124 0.000 1.112 163 E HN 0.237 nan 8.360 nan 0.000 0.425 164 S N 2.487 118.251 115.700 0.106 0.000 2.413 164 S HA -0.263 4.207 4.470 0.000 0.000 0.237 164 S C 1.780 176.463 174.600 0.138 0.000 1.044 164 S CA 1.494 59.765 58.200 0.117 0.000 1.024 164 S CB 0.014 63.273 63.200 0.098 0.000 0.829 164 S HN 0.585 nan 8.310 nan 0.000 0.475 165 Q N 1.154 121.020 119.800 0.110 0.000 2.291 165 Q HA -0.001 4.340 4.340 0.000 0.000 0.205 165 Q C 1.825 177.901 176.000 0.128 0.000 0.970 165 Q CA 1.079 56.948 55.803 0.110 0.000 0.876 165 Q CB -0.640 28.144 28.738 0.077 0.000 0.935 165 Q HN 0.506 nan 8.270 nan 0.000 0.455 166 L N 0.372 121.676 121.223 0.136 0.000 2.376 166 L HA -0.089 4.251 4.340 0.000 0.000 0.219 166 L C 2.770 179.739 176.870 0.165 0.000 1.133 166 L CA 0.810 55.732 54.840 0.136 0.000 0.816 166 L CB -0.731 41.406 42.059 0.129 0.000 0.933 166 L HN 0.388 nan 8.230 nan 0.000 0.449 167 H N 0.783 119.919 119.070 0.109 0.000 2.319 167 H HA -0.207 4.349 4.556 0.000 0.000 0.299 167 H C 2.117 177.547 175.328 0.171 0.000 1.092 167 H CA 1.733 57.852 56.048 0.117 0.000 1.302 167 H CB 0.372 30.169 29.762 0.058 0.000 1.373 167 H HN 0.337 nan 8.280 nan 0.000 0.497 168 A N 1.565 124.477 122.820 0.153 0.000 1.884 168 A HA -0.264 4.056 4.320 0.000 0.000 0.219 168 A C 2.359 180.006 177.584 0.105 0.000 1.197 168 A CA 2.392 54.515 52.037 0.145 0.000 0.637 168 A CB -0.703 18.387 19.000 0.150 0.000 0.827 168 A HN 0.834 nan 8.150 nan 0.000 0.450 169 E N -0.493 119.773 120.200 0.110 0.000 2.216 169 E HA 0.126 4.476 4.350 0.000 0.000 0.192 169 E C 1.971 178.719 176.600 0.246 0.000 0.988 169 E CA 0.820 57.308 56.400 0.147 0.000 0.834 169 E CB -0.359 29.445 29.700 0.172 0.000 0.772 169 E HN 0.496 nan 8.360 nan 0.000 0.479 170 A N 1.187 124.121 122.820 0.190 0.000 1.930 170 A HA -0.169 4.152 4.320 0.000 0.000 0.217 170 A C 2.067 179.751 177.584 0.166 0.000 1.175 170 A CA 1.274 53.457 52.037 0.243 0.000 0.627 170 A CB -0.851 18.253 19.000 0.175 0.000 0.815 170 A HN 0.476 nan 8.150 nan 0.000 0.443 171 Y N 1.712 121.929 120.300 -0.137 0.000 2.200 171 Y HA -0.207 4.343 4.550 0.000 0.000 0.290 171 Y C 2.329 178.186 175.900 -0.071 0.000 1.137 171 Y CA 1.938 59.930 58.100 -0.180 0.000 1.163 171 Y CB -0.472 37.763 38.460 -0.375 0.000 0.988 171 Y HN 0.638 nan 8.280 nan 0.000 0.518 172 E N -1.524 118.495 120.200 -0.302 0.000 2.153 172 E HA -0.255 4.095 4.350 0.000 0.000 0.194 172 E C 1.891 178.224 176.600 -0.445 0.000 0.988 172 E CA 1.553 57.677 56.400 -0.459 0.000 0.811 172 E CB -1.128 28.366 29.700 -0.343 0.000 0.746 172 E HN 0.598 nan 8.360 nan 0.000 0.466 173 W N 1.230 122.443 121.300 -0.145 0.000 2.418 173 W HA 0.138 4.798 4.660 0.000 0.000 0.292 173 W C 2.725 179.133 176.519 -0.184 0.000 1.213 173 W CA 1.021 58.299 57.345 -0.112 0.000 1.283 173 W CB -0.083 29.415 29.460 0.064 0.000 1.119 173 W HN 0.220 nan 8.180 nan 0.000 0.542 174 A N 0.210 123.045 122.820 0.025 0.000 1.902 174 A HA -0.219 4.102 4.320 0.000 0.000 0.217 174 A C 1.912 179.439 177.584 -0.094 0.000 1.181 174 A CA 1.871 53.896 52.037 -0.020 0.000 0.623 174 A CB -0.719 18.305 19.000 0.039 0.000 0.818 174 A HN 0.279 nan 8.150 nan 0.000 0.443 175 K N -0.198 120.054 120.400 -0.247 0.000 2.057 175 K HA -0.140 4.180 4.320 0.000 0.000 0.207 175 K C 2.048 178.537 176.600 -0.185 0.000 1.049 175 K CA 1.614 57.745 56.287 -0.260 0.000 0.931 175 K CB -0.138 32.075 32.500 -0.478 0.000 0.714 175 K HN 0.448 nan 8.250 nan 0.000 0.440 176 K N 0.367 120.630 120.400 -0.227 0.000 2.026 176 K HA -0.100 4.220 4.320 0.000 0.000 0.208 176 K C 2.084 178.647 176.600 -0.061 0.000 1.048 176 K CA 1.508 57.677 56.287 -0.195 0.000 0.929 176 K CB -0.121 32.158 32.500 -0.369 0.000 0.713 176 K HN 0.143 nan 8.250 nan 0.000 0.439 177 I N 0.496 121.047 120.570 -0.033 0.000 2.226 177 I HA -0.303 3.867 4.170 0.000 0.000 0.245 177 I C 2.636 178.785 176.117 0.054 0.000 1.100 177 I CA 0.993 62.301 61.300 0.012 0.000 1.374 177 I CB -0.345 37.625 38.000 -0.049 0.000 1.057 177 I HN 0.160 nan 8.210 nan 0.000 0.413 178 S N 0.548 116.257 115.700 0.015 0.000 2.353 178 S HA -0.257 4.214 4.470 0.000 0.000 0.222 178 S C 1.959 176.565 174.600 0.011 0.000 1.035 178 S CA 1.945 60.155 58.200 0.016 0.000 1.025 178 S CB -0.179 63.019 63.200 -0.004 0.000 0.902 178 S HN 0.404 nan 8.310 nan 0.000 0.440 179 E N -0.573 119.626 120.200 -0.002 0.000 2.072 179 E HA -0.138 4.212 4.350 0.000 0.000 0.191 179 E C 1.966 178.582 176.600 0.027 0.000 0.985 179 E CA 1.307 57.706 56.400 -0.003 0.000 0.801 179 E CB -0.243 29.442 29.700 -0.025 0.000 0.750 179 E HN 0.736 nan 8.360 nan 0.000 0.452 180 H N -0.163 118.882 119.070 -0.042 0.000 2.421 180 H HA 0.004 4.560 4.556 0.000 0.000 0.298 180 H C 1.386 176.700 175.328 -0.022 0.000 1.087 180 H CA 1.230 57.261 56.048 -0.028 0.000 1.330 180 H CB 0.110 29.861 29.762 -0.018 0.000 1.388 180 H HN 0.098 nan 8.280 nan 0.000 0.526 181 L N 0.074 121.305 121.223 0.013 0.000 2.591 181 L HA 0.095 4.435 4.340 0.000 0.000 0.228 181 L C 0.083 176.910 176.870 -0.071 0.000 1.133 181 L CA -0.453 54.358 54.840 -0.048 0.000 0.880 181 L CB 0.056 42.124 42.059 0.016 0.000 1.033 181 L HN 0.155 nan 8.230 nan 0.000 0.450 182 L N 2.124 123.310 121.223 -0.062 0.000 2.461 182 L HA 0.210 4.550 4.340 0.000 0.000 0.272 182 L C -1.778 175.049 176.870 -0.072 0.000 1.197 182 L CA -1.525 53.277 54.840 -0.064 0.000 0.836 182 L CB 0.049 42.081 42.059 -0.046 0.000 1.105 182 L HN -0.158 nan 8.230 nan 0.000 0.477 183 P HA 0.078 nan 4.420 nan 0.000 0.271 183 P C -0.390 176.907 177.300 -0.004 0.000 1.220 183 P CA -0.307 62.772 63.100 -0.035 0.000 0.768 183 P CB 0.500 32.130 31.700 -0.117 0.000 0.848 184 R N 0.969 121.482 120.500 0.022 0.000 2.339 184 R HA 0.084 4.424 4.340 0.000 0.000 0.199 184 R C 0.761 177.075 176.300 0.023 0.000 1.018 184 R CA 0.424 56.530 56.100 0.009 0.000 1.036 184 R CB -1.090 29.209 30.300 -0.001 0.000 0.899 184 R HN 0.482 nan 8.270 nan 0.000 0.473 205 P HA -0.014 nan 4.420 nan 0.000 0.218 205 P C 1.305 178.576 177.300 -0.048 0.000 1.149 205 P CA 0.993 64.069 63.100 -0.041 0.000 0.817 205 P CB 0.468 32.140 31.700 -0.047 0.000 0.785 206 I N -2.622 117.913 120.570 -0.058 0.000 2.681 206 I HA -0.063 4.107 4.170 0.000 0.000 0.247 206 I C 1.858 177.949 176.117 -0.043 0.000 1.091 206 I CA 0.470 61.727 61.300 -0.072 0.000 1.442 206 I CB -0.692 37.234 38.000 -0.124 0.000 1.219 206 I HN -0.202 nan 8.210 nan 0.000 0.451 207 L N 0.964 122.193 121.223 0.011 0.000 2.056 207 L HA 0.134 4.474 4.340 0.000 0.000 0.207 207 L C 1.095 178.033 176.870 0.114 0.000 1.078 207 L CA 1.437 56.345 54.840 0.113 0.000 0.749 207 L CB -1.193 41.036 42.059 0.283 0.000 0.901 207 L HN 0.488 nan 8.230 nan 0.000 0.433 208 G N -1.885 106.931 108.800 0.027 0.000 2.699 208 G HA2 -0.233 3.728 3.960 0.000 0.000 0.686 208 G HA3 -0.233 3.728 3.960 0.000 0.000 0.686 208 G C 0.095 174.813 174.900 -0.303 0.000 1.301 208 G CA -0.041 45.008 45.100 -0.085 0.000 0.816 208 G HN 0.059 nan 8.290 nan 0.000 0.595 209 Q N -0.508 119.114 119.800 -0.297 0.000 2.084 209 Q HA 0.010 4.350 4.340 0.000 0.000 0.202 209 Q C 2.926 178.598 176.000 -0.546 0.000 0.978 209 Q CA 2.840 58.391 55.803 -0.421 0.000 0.844 209 Q CB -0.336 28.269 28.738 -0.221 0.000 0.898 209 Q HN 0.774 nan 8.270 nan 0.000 0.426 210 T N -0.691 113.682 114.554 -0.302 0.000 3.055 210 T HA 0.008 4.359 4.350 0.000 0.000 0.265 210 T C -0.290 174.367 174.700 -0.072 0.000 1.111 210 T CA 0.515 62.516 62.100 -0.166 0.000 1.118 210 T CB -0.106 68.730 68.868 -0.055 0.000 0.909 210 T HN 0.167 nan 8.240 nan 0.000 0.501 211 Y N -0.637 119.659 120.300 -0.006 0.000 2.921 211 Y HA -0.216 4.334 4.550 0.000 0.000 0.464 211 Y C 0.221 176.119 175.900 -0.003 0.000 1.214 211 Y CA -0.946 57.148 58.100 -0.011 0.000 2.443 211 Y CB -1.416 37.041 38.460 -0.006 0.000 1.250 211 Y HN 0.102 nan 8.280 nan 0.000 0.635 212 L N 2.266 123.623 121.223 0.223 0.000 2.344 212 L HA 0.318 4.658 4.340 0.000 0.000 0.272 212 L C -1.616 175.333 176.870 0.131 0.000 1.035 212 L CA -1.773 53.147 54.840 0.133 0.000 0.807 212 L CB 1.377 43.498 42.059 0.104 0.000 1.237 212 L HN 0.266 nan 8.230 nan 0.000 0.442 213 P HA -0.070 nan 4.420 nan 0.000 0.218 213 P C -0.191 177.176 177.300 0.112 0.000 1.148 213 P CA 1.111 64.282 63.100 0.118 0.000 0.822 213 P CB 0.255 32.037 31.700 0.137 0.000 0.784 214 R N -1.589 118.989 120.500 0.131 0.000 2.752 214 R HA 0.288 4.628 4.340 0.000 0.000 0.271 214 R C -1.079 175.299 176.300 0.129 0.000 1.026 214 R CA -1.091 55.076 56.100 0.113 0.000 0.901 214 R CB 0.838 31.206 30.300 0.113 0.000 1.243 214 R HN -0.206 nan 8.270 nan 0.000 0.463 215 K N 0.875 121.330 120.400 0.092 0.000 2.469 215 K HA 0.148 4.469 4.320 0.000 0.000 0.274 215 K C -0.938 175.752 176.600 0.150 0.000 0.983 215 K CA 0.214 56.557 56.287 0.093 0.000 0.974 215 K CB 0.447 32.970 32.500 0.038 0.000 0.913 215 K HN 0.328 nan 8.250 nan 0.000 0.493 216 F N 1.606 121.550 119.950 -0.010 0.000 2.482 216 F HA 0.388 4.915 4.527 0.000 0.000 0.331 216 F C -0.794 174.991 175.800 -0.024 0.000 1.115 216 F CA -0.708 57.285 58.000 -0.011 0.000 0.955 216 F CB 1.890 40.892 39.000 0.004 0.000 1.136 216 F HN 0.483 nan 8.300 nan 0.000 0.452 217 K N 3.963 124.178 120.400 -0.308 0.000 2.292 217 K HA 0.622 4.942 4.320 0.000 0.000 0.257 217 K C -1.103 175.364 176.600 -0.221 0.000 0.940 217 K CA -0.777 55.403 56.287 -0.179 0.000 0.811 217 K CB 2.201 34.597 32.500 -0.173 0.000 1.120 217 K HN 0.568 nan 8.250 nan 0.000 0.428 218 T N 0.802 115.326 114.554 -0.050 0.000 2.906 218 T HA 0.556 4.906 4.350 0.000 0.000 0.295 218 T C -0.585 174.114 174.700 -0.000 0.000 1.061 218 T CA -0.842 61.255 62.100 -0.004 0.000 1.000 218 T CB 1.855 70.822 68.868 0.166 0.000 1.103 218 T HN 0.754 nan 8.240 nan 0.000 0.486 219 T N -1.712 112.841 114.554 -0.002 0.000 2.864 219 T HA 0.742 5.093 4.350 0.000 0.000 0.299 219 T C -1.454 173.273 174.700 0.045 0.000 1.166 219 T CA -0.720 61.383 62.100 0.005 0.000 1.007 219 T CB 1.388 70.225 68.868 -0.051 0.000 1.219 219 T HN 0.372 nan 8.240 nan 0.000 0.506 220 V N 1.900 121.840 119.914 0.044 0.000 2.443 220 V HA 0.618 4.738 4.120 0.000 0.000 0.293 220 V C -0.457 175.693 176.094 0.094 0.000 1.021 220 V CA -0.664 61.666 62.300 0.050 0.000 0.848 220 V CB 1.462 33.319 31.823 0.057 0.000 0.998 220 V HN 0.943 nan 8.190 nan 0.000 0.424 221 V N 5.753 125.741 119.914 0.123 0.000 2.581 221 V HA 0.582 4.702 4.120 0.000 0.000 0.303 221 V C -0.273 175.965 176.094 0.240 0.000 1.041 221 V CA -0.650 61.748 62.300 0.163 0.000 0.907 221 V CB 2.163 34.090 31.823 0.173 0.000 0.994 221 V HN 0.690 nan 8.190 nan 0.000 0.442 222 I N 4.960 125.677 120.570 0.245 0.000 2.405 222 I HA 0.363 4.533 4.170 0.000 0.000 0.280 222 I C -2.487 173.805 176.117 0.293 0.000 1.027 222 I CA -1.856 59.589 61.300 0.241 0.000 1.161 222 I CB 1.797 39.916 38.000 0.199 0.000 1.300 222 I HN 0.406 nan 8.210 nan 0.000 0.463 223 P HA 0.021 nan 4.420 nan 0.000 0.269 223 P C -1.937 175.521 177.300 0.263 0.000 1.217 223 P CA -0.728 62.540 63.100 0.281 0.000 0.783 223 P CB 0.069 31.803 31.700 0.057 0.000 0.898 224 P HA 0.045 nan 4.420 nan 0.000 0.256 224 P C -0.390 177.233 177.300 0.537 0.000 1.384 224 P CA 0.508 63.807 63.100 0.332 0.000 0.879 224 P CB 0.452 32.294 31.700 0.236 0.000 1.403 225 Q N 0.803 120.894 119.800 0.484 0.000 2.278 225 Q HA 0.269 4.609 4.340 0.000 0.000 0.257 225 Q C 0.130 176.254 176.000 0.206 0.000 0.928 225 Q CA -0.308 55.691 55.803 0.327 0.000 0.932 225 Q CB 0.828 29.651 28.738 0.141 0.000 1.221 225 Q HN -0.142 nan 8.270 nan 0.000 0.434 226 N N 1.860 120.530 118.700 -0.049 0.000 2.467 226 N HA -0.033 4.707 4.740 0.000 0.000 0.278 226 N C 0.072 175.477 175.510 -0.177 0.000 1.306 226 N CA -0.069 52.745 53.050 -0.394 0.000 0.905 226 N CB 0.447 38.428 38.487 -0.844 0.000 1.236 226 N HN 0.567 nan 8.380 nan 0.000 0.509 227 D N 0.011 120.369 120.400 -0.069 0.000 2.221 227 D HA -0.206 4.434 4.640 0.000 0.000 0.204 227 D C 1.556 177.823 176.300 -0.056 0.000 0.982 227 D CA 0.871 54.845 54.000 -0.043 0.000 0.857 227 D CB -0.291 40.495 40.800 -0.024 0.000 0.934 227 D HN 0.551 nan 8.370 nan 0.000 0.475 228 I N -2.571 117.957 120.570 -0.071 0.000 3.291 228 I HA 0.110 4.280 4.170 0.000 0.000 0.279 228 I C -0.205 175.851 176.117 -0.100 0.000 1.294 228 I CA -0.227 61.032 61.300 -0.068 0.000 1.428 228 I CB -0.777 37.194 38.000 -0.048 0.000 1.070 228 I HN -0.305 nan 8.210 nan 0.000 0.478 229 D N 1.289 121.609 120.400 -0.134 0.000 2.828 229 D HA -0.170 4.470 4.640 0.000 0.000 0.241 229 D C 1.110 177.307 176.300 -0.171 0.000 1.142 229 D CA 1.020 54.941 54.000 -0.132 0.000 0.755 229 D CB -0.654 40.101 40.800 -0.075 0.000 1.014 229 D HN 0.613 nan 8.370 nan 0.000 0.420 230 L N -0.814 120.244 121.223 -0.275 0.000 2.137 230 L HA -0.171 4.169 4.340 0.000 0.000 0.213 230 L C 1.966 178.596 176.870 -0.400 0.000 1.085 230 L CA 1.615 56.246 54.840 -0.349 0.000 0.760 230 L CB -0.613 41.193 42.059 -0.422 0.000 0.893 230 L HN 0.283 nan 8.230 nan 0.000 0.434 231 H N 0.231 119.228 119.070 -0.122 0.000 2.563 231 H HA 0.244 4.800 4.556 0.000 0.000 0.272 231 H C 1.955 177.214 175.328 -0.115 0.000 1.005 231 H CA 0.861 56.846 56.048 -0.105 0.000 1.171 231 H CB 0.096 29.813 29.762 -0.075 0.000 1.351 231 H HN 0.626 nan 8.280 nan 0.000 0.602 232 A N 0.299 123.079 122.820 -0.066 0.000 2.308 232 A HA 0.061 4.381 4.320 0.000 0.000 0.217 232 A C 0.659 178.162 177.584 -0.136 0.000 1.216 232 A CA -0.263 51.725 52.037 -0.082 0.000 0.864 232 A CB 0.177 19.132 19.000 -0.074 0.000 0.902 232 A HN 0.202 nan 8.150 nan 0.000 0.499 233 N N -0.170 118.421 118.700 -0.183 0.000 2.319 233 N HA 0.144 4.884 4.740 0.000 0.000 0.305 233 N C -0.652 174.654 175.510 -0.339 0.000 1.103 233 N CA -0.558 52.342 53.050 -0.250 0.000 0.815 233 N CB 1.488 39.832 38.487 -0.237 0.000 1.288 233 N HN 0.105 nan 8.380 nan 0.000 0.493 234 D N 0.752 120.857 120.400 -0.492 0.000 2.097 234 D HA -0.108 4.532 4.640 0.000 0.000 0.195 234 D C 0.426 176.371 176.300 -0.593 0.000 0.989 234 D CA 1.499 55.093 54.000 -0.677 0.000 0.827 234 D CB 0.542 40.489 40.800 -1.421 0.000 0.966 234 D HN 0.417 nan 8.370 nan 0.000 0.456 235 M N 0.734 120.016 119.600 -0.531 0.000 2.263 235 M HA 0.240 4.721 4.480 0.000 0.000 0.295 235 M C -1.993 174.072 176.300 -0.392 0.000 1.028 235 M CA -0.494 54.569 55.300 -0.394 0.000 0.921 235 M CB 2.153 34.700 32.600 -0.089 0.000 1.601 235 M HN -0.289 nan 8.290 nan 0.000 0.440 236 N N 4.542 122.915 118.700 -0.546 0.000 2.295 236 N HA 0.466 5.206 4.740 0.000 0.000 0.293 236 N C -1.984 173.130 175.510 -0.660 0.000 1.040 236 N CA -0.333 52.443 53.050 -0.457 0.000 0.840 236 N CB 1.911 40.194 38.487 -0.340 0.000 1.468 236 N HN 0.515 nan 8.380 nan 0.000 0.478 237 F N 1.039 120.810 119.950 -0.298 0.000 2.347 237 F HA 0.285 4.812 4.527 0.000 0.000 0.366 237 F C 0.372 176.045 175.800 -0.210 0.000 1.107 237 F CA -0.792 56.949 58.000 -0.432 0.000 1.058 237 F CB 1.185 39.565 39.000 -1.034 0.000 1.236 237 F HN 0.051 nan 8.300 nan 0.000 0.456 238 V N 4.132 124.085 119.914 0.066 0.000 2.389 238 V HA 0.445 4.565 4.120 0.000 0.000 0.264 238 V C 0.564 176.860 176.094 0.338 0.000 1.049 238 V CA -0.927 61.441 62.300 0.113 0.000 0.932 238 V CB 0.586 32.289 31.823 -0.200 0.000 1.011 238 V HN 0.825 nan 8.190 nan 0.000 0.475 239 A N 7.404 130.474 122.820 0.417 0.000 2.520 239 A HA 0.457 4.777 4.320 0.000 0.000 0.245 239 A C -0.160 177.495 177.584 0.119 0.000 1.072 239 A CA 0.067 52.281 52.037 0.295 0.000 0.761 239 A CB -0.151 19.005 19.000 0.260 0.000 1.004 239 A HN 0.615 nan 8.150 nan 0.000 0.499 240 I N 2.042 122.626 120.570 0.023 0.000 2.362 240 I HA 0.523 4.693 4.170 0.000 0.000 0.289 240 I C 0.520 176.633 176.117 -0.006 0.000 0.994 240 I CA -0.118 61.215 61.300 0.055 0.000 1.158 240 I CB 0.891 38.985 38.000 0.157 0.000 1.315 240 I HN 0.729 nan 8.210 nan 0.000 0.451 241 A N 6.048 128.876 122.820 0.012 0.000 2.356 241 A HA 0.865 5.185 4.320 0.000 0.000 0.323 241 A C -0.598 176.989 177.584 0.005 0.000 1.119 241 A CA -0.511 51.528 52.037 0.003 0.000 0.790 241 A CB 1.666 20.681 19.000 0.025 0.000 1.273 241 A HN 0.713 nan 8.150 nan 0.000 0.452 242 E N 0.289 120.490 120.200 0.001 0.000 2.291 242 E HA 0.364 4.714 4.350 0.000 0.000 0.276 242 E C -1.029 175.574 176.600 0.005 0.000 0.896 242 E CA -0.645 55.754 56.400 -0.000 0.000 0.774 242 E CB 1.332 31.026 29.700 -0.010 0.000 1.227 242 E HN 0.768 nan 8.360 nan 0.000 0.413 243 N N 1.872 120.577 118.700 0.009 0.000 2.735 243 N HA -0.269 4.471 4.740 0.000 0.000 0.248 243 N C 0.611 176.131 175.510 0.018 0.000 1.083 243 N CA 0.547 53.604 53.050 0.012 0.000 0.703 243 N CB -0.736 37.756 38.487 0.008 0.000 1.005 243 N HN 0.929 nan 8.380 nan 0.000 0.550 244 G N -0.273 108.541 108.800 0.025 0.000 2.162 244 G HA2 -0.396 3.565 3.960 0.000 0.000 0.260 244 G HA3 -0.396 3.565 3.960 0.000 0.000 0.260 244 G C -0.065 174.856 174.900 0.034 0.000 0.976 244 G CA 0.986 46.106 45.100 0.034 0.000 0.655 244 G HN 0.789 nan 8.290 nan 0.000 0.533 245 K N -0.250 120.163 120.400 0.023 0.000 2.371 245 K HA 0.753 5.073 4.320 0.000 0.000 0.251 245 K C -0.396 176.201 176.600 -0.005 0.000 0.934 245 K CA -1.299 54.999 56.287 0.018 0.000 0.798 245 K CB 1.624 34.133 32.500 0.015 0.000 1.204 245 K HN -0.003 nan 8.250 nan 0.000 0.427 246 L N 3.285 124.494 121.223 -0.023 0.000 2.426 246 L HA 0.070 4.410 4.340 0.000 0.000 0.271 246 L C 0.931 177.721 176.870 -0.134 0.000 1.169 246 L CA 0.393 55.168 54.840 -0.109 0.000 0.836 246 L CB 1.630 43.576 42.059 -0.188 0.000 1.112 246 L HN 0.715 nan 8.230 nan 0.000 0.465 247 V N -0.502 119.326 119.914 -0.143 0.000 3.572 247 V HA 0.793 4.913 4.120 0.000 0.000 0.260 247 V C 0.627 176.637 176.094 -0.141 0.000 1.324 247 V CA 0.600 62.849 62.300 -0.084 0.000 1.068 247 V CB -0.100 31.733 31.823 0.017 0.000 0.837 247 V HN 0.843 nan 8.190 nan 0.000 0.450 248 G N -0.357 108.264 108.800 -0.298 0.000 2.341 248 G HA2 0.540 4.500 3.960 0.000 0.000 0.299 248 G HA3 0.540 4.500 3.960 0.000 0.000 0.299 248 G C -2.143 172.369 174.900 -0.648 0.000 1.274 248 G CA -0.571 44.211 45.100 -0.530 0.000 0.853 248 G HN 0.073 nan 8.290 nan 0.000 0.493 249 F N 0.035 119.817 119.950 -0.281 0.000 2.601 249 F HA 0.560 5.087 4.527 0.000 0.000 0.309 249 F C -0.235 175.537 175.800 -0.047 0.000 1.089 249 F CA -1.127 56.831 58.000 -0.071 0.000 0.940 249 F CB 2.479 41.512 39.000 0.055 0.000 1.273 249 F HN 0.188 nan 8.300 nan 0.000 0.450 250 N N 1.846 120.687 118.700 0.236 0.000 2.455 250 N HA 0.423 5.163 4.740 0.000 0.000 0.280 250 N C -1.327 174.145 175.510 -0.063 0.000 1.055 250 N CA -0.434 52.668 53.050 0.088 0.000 0.961 250 N CB 1.809 40.242 38.487 -0.090 0.000 1.121 250 N HN 0.521 nan 8.380 nan 0.000 0.476 251 L N 3.193 124.332 121.223 -0.139 0.000 2.272 251 L HA 0.511 4.852 4.340 0.000 0.000 0.289 251 L C -1.406 175.228 176.870 -0.393 0.000 1.032 251 L CA -0.426 54.193 54.840 -0.368 0.000 0.810 251 L CB 0.672 42.518 42.059 -0.355 0.000 1.205 251 L HN 0.333 nan 8.230 nan 0.000 0.422 252 L N 5.932 126.879 121.223 -0.461 0.000 2.356 252 L HA 0.709 5.049 4.340 0.000 0.000 0.277 252 L C -0.748 175.804 176.870 -0.531 0.000 0.996 252 L CA -0.305 54.307 54.840 -0.380 0.000 0.822 252 L CB 2.100 44.021 42.059 -0.230 0.000 1.256 252 L HN 0.338 nan 8.230 nan 0.000 0.413 253 V N 1.475 121.024 119.914 -0.608 0.000 2.735 253 V HA 0.818 4.938 4.120 0.000 0.000 0.310 253 V C 0.583 176.436 176.094 -0.401 0.000 1.061 253 V CA -0.021 61.893 62.300 -0.643 0.000 0.913 253 V CB 1.638 32.783 31.823 -1.129 0.000 1.005 253 V HN 0.837 nan 8.190 nan 0.000 0.428 254 G N 2.776 111.362 108.800 -0.357 0.000 2.154 254 G HA2 -0.068 3.892 3.960 0.000 0.000 0.186 254 G HA3 -0.068 3.892 3.960 0.000 0.000 0.186 254 G C 0.391 175.181 174.900 -0.183 0.000 1.000 254 G CA -0.210 44.740 45.100 -0.250 0.000 0.664 254 G HN 1.364 nan 8.290 nan 0.000 0.513 255 G N -0.536 108.149 108.800 -0.193 0.000 2.507 255 G HA2 0.793 4.753 3.960 0.000 0.000 0.271 255 G HA3 0.793 4.753 3.960 0.000 0.000 0.271 255 G C 0.333 175.136 174.900 -0.161 0.000 1.189 255 G CA -0.011 45.013 45.100 -0.127 0.000 0.859 255 G HN 1.610 nan 8.290 nan 0.000 0.542 256 G N -0.399 108.328 108.800 -0.122 0.000 2.503 256 G HA2 0.365 4.325 3.960 0.000 0.000 0.305 256 G HA3 0.365 4.325 3.960 0.000 0.000 0.305 256 G C 0.043 174.885 174.900 -0.097 0.000 1.575 256 G CA -0.748 44.272 45.100 -0.133 0.000 0.890 256 G HN 0.610 nan 8.290 nan 0.000 0.612 257 L N 0.844 122.020 121.223 -0.079 0.000 2.609 257 L HA 0.279 4.619 4.340 0.000 0.000 0.230 257 L C 1.698 178.537 176.870 -0.051 0.000 1.087 257 L CA 0.033 54.835 54.840 -0.063 0.000 0.874 257 L CB 0.608 42.628 42.059 -0.066 0.000 1.114 257 L HN 0.532 nan 8.230 nan 0.000 0.488 258 S N 1.622 117.296 115.700 -0.042 0.000 2.549 258 S HA 0.339 4.809 4.470 0.000 0.000 0.286 258 S C -0.112 174.504 174.600 0.026 0.000 1.314 258 S CA -0.352 57.836 58.200 -0.019 0.000 1.062 258 S CB 0.087 63.282 63.200 -0.008 0.000 0.865 258 S HN 0.272 nan 8.310 nan 0.000 0.498 259 I N 0.932 121.519 120.570 0.028 0.000 3.264 259 I HA 0.727 4.897 4.170 0.000 0.000 0.315 259 I C -0.887 175.265 176.117 0.059 0.000 1.154 259 I CA -1.118 60.255 61.300 0.121 0.000 0.962 259 I CB 2.177 40.298 38.000 0.202 0.000 1.265 259 I HN 0.554 nan 8.210 nan 0.000 0.463 260 E N 1.350 121.624 120.200 0.124 0.000 2.234 260 E HA 0.332 4.682 4.350 0.000 0.000 0.266 260 E C -1.172 175.502 176.600 0.124 0.000 0.877 260 E CA -0.801 55.620 56.400 0.036 0.000 0.758 260 E CB 1.011 30.724 29.700 0.021 0.000 1.170 260 E HN 0.606 nan 8.360 nan 0.000 0.415 261 H N 2.393 121.558 119.070 0.159 0.000 3.125 261 H HA 0.016 4.572 4.556 0.000 0.000 0.310 261 H C 1.222 176.597 175.328 0.078 0.000 0.980 261 H CA 1.732 57.893 56.048 0.188 0.000 1.422 261 H CB 0.787 30.621 29.762 0.120 0.000 1.432 261 H HN 0.944 nan 8.280 nan 0.000 0.577 262 G N 3.646 112.566 108.800 0.200 0.000 2.180 262 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 262 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 262 G C 0.498 175.185 174.900 -0.355 0.000 0.989 262 G CA 0.458 45.486 45.100 -0.119 0.000 0.692 262 G HN 0.681 nan 8.290 nan 0.000 0.526 263 N N 0.388 118.846 118.700 -0.404 0.000 2.609 263 N HA 0.299 5.039 4.740 0.000 0.000 0.234 263 N C 1.333 176.473 175.510 -0.617 0.000 1.001 263 N CA -0.464 52.370 53.050 -0.358 0.000 0.926 263 N CB 0.432 38.837 38.487 -0.138 0.000 1.130 263 N HN 0.340 nan 8.380 nan 0.000 0.510 264 K N 1.634 121.569 120.400 -0.775 0.000 2.515 264 K HA -0.044 4.276 4.320 0.000 0.000 0.196 264 K C 0.774 177.264 176.600 -0.184 0.000 1.038 264 K CA 0.767 56.540 56.287 -0.857 0.000 0.967 264 K CB 0.427 32.594 32.500 -0.555 0.000 0.780 264 K HN 0.412 nan 8.250 nan 0.000 0.483 265 K N 0.771 121.113 120.400 -0.097 0.000 2.459 265 K HA -0.023 4.297 4.320 0.000 0.000 0.193 265 K C 0.717 177.367 176.600 0.083 0.000 1.030 265 K CA 0.543 56.850 56.287 0.034 0.000 1.026 265 K CB 0.396 32.856 32.500 -0.066 0.000 0.809 265 K HN 0.195 nan 8.250 nan 0.000 0.504 266 T N -1.240 113.408 114.554 0.156 0.000 2.918 266 T HA 0.540 4.890 4.350 0.000 0.000 0.286 266 T C -0.663 174.341 174.700 0.507 0.000 1.026 266 T CA -0.838 61.384 62.100 0.204 0.000 1.031 266 T CB 1.093 70.057 68.868 0.160 0.000 1.046 266 T HN 0.150 nan 8.240 nan 0.000 0.479 267 Y N -1.483 119.090 120.300 0.454 0.000 2.662 267 Y HA 0.729 5.279 4.550 0.000 0.000 0.334 267 Y C -0.715 175.218 175.900 0.055 0.000 1.185 267 Y CA -1.888 56.373 58.100 0.268 0.000 1.074 267 Y CB 0.489 39.100 38.460 0.252 0.000 1.330 267 Y HN 0.968 nan 8.280 nan 0.000 0.458 268 A N 2.821 125.759 122.820 0.196 0.000 2.322 268 A HA 0.853 5.173 4.320 0.000 0.000 0.269 268 A C -0.328 177.333 177.584 0.128 0.000 1.094 268 A CA -0.650 51.425 52.037 0.064 0.000 0.807 268 A CB 0.926 19.916 19.000 -0.018 0.000 1.047 268 A HN 0.853 nan 8.150 nan 0.000 0.487 269 R N 0.304 120.834 120.500 0.050 0.000 2.668 269 R HA 0.494 4.835 4.340 0.000 0.000 0.272 269 R C -0.584 175.714 176.300 -0.003 0.000 1.019 269 R CA -0.105 56.019 56.100 0.040 0.000 0.894 269 R CB 1.745 32.098 30.300 0.088 0.000 1.228 269 R HN 0.889 nan 8.270 nan 0.000 0.460 270 T N 0.311 114.857 114.554 -0.014 0.000 2.847 270 T HA 0.629 4.979 4.350 0.000 0.000 0.279 270 T C 0.455 175.226 174.700 0.119 0.000 0.984 270 T CA -0.699 61.427 62.100 0.044 0.000 0.988 270 T CB 1.462 70.208 68.868 -0.203 0.000 1.040 270 T HN 0.628 nan 8.240 nan 0.000 0.528 271 A N 1.437 124.446 122.820 0.315 0.000 2.371 271 A HA 0.574 4.895 4.320 0.000 0.000 0.257 271 A C 0.476 178.115 177.584 0.091 0.000 1.089 271 A CA -0.690 51.387 52.037 0.067 0.000 0.794 271 A CB -0.043 18.901 19.000 -0.094 0.000 1.029 271 A HN 0.797 nan 8.150 nan 0.000 0.488 272 S N 1.029 116.739 115.700 0.016 0.000 2.525 272 S HA 0.310 4.780 4.470 0.000 0.000 0.290 272 S C -0.238 174.426 174.600 0.107 0.000 1.152 272 S CA -0.571 57.683 58.200 0.089 0.000 1.072 272 S CB 1.020 64.304 63.200 0.139 0.000 1.027 272 S HN 0.729 nan 8.310 nan 0.000 0.500 273 E N 1.112 121.399 120.200 0.144 0.000 2.338 273 E HA 0.147 4.497 4.350 0.000 0.000 0.272 273 E C -0.378 176.367 176.600 0.243 0.000 1.029 273 E CA -0.055 56.426 56.400 0.134 0.000 0.872 273 E CB 0.412 30.193 29.700 0.135 0.000 1.015 273 E HN 0.499 nan 8.360 nan 0.000 0.417 274 F N 0.815 120.609 119.950 -0.258 0.000 2.490 274 F HA 0.332 4.860 4.527 0.000 0.000 0.280 274 F C 1.123 176.605 175.800 -0.530 0.000 1.030 274 F CA 0.871 58.603 58.000 -0.446 0.000 1.367 274 F CB 0.503 39.065 39.000 -0.730 0.000 1.131 274 F HN 0.633 nan 8.300 nan 0.000 0.632 275 G N -1.612 107.030 108.800 -0.263 0.000 2.341 275 G HA2 0.208 4.168 3.960 0.000 0.000 0.293 275 G HA3 0.208 4.168 3.960 0.000 0.000 0.293 275 G C -2.257 172.724 174.900 0.136 0.000 1.298 275 G CA -0.914 44.156 45.100 -0.050 0.000 0.868 275 G HN -0.030 nan 8.290 nan 0.000 0.540 276 Y N 0.347 120.766 120.300 0.199 0.000 2.361 276 Y HA 0.761 5.311 4.550 0.000 0.000 0.332 276 Y C -0.042 176.068 175.900 0.350 0.000 1.101 276 Y CA -0.838 57.395 58.100 0.222 0.000 1.137 276 Y CB 1.405 39.948 38.460 0.139 0.000 1.207 276 Y HN 0.793 nan 8.280 nan 0.000 0.463 277 L N 4.769 125.700 121.223 -0.486 0.000 2.436 277 L HA 0.775 5.115 4.340 0.000 0.000 0.268 277 L C -3.102 173.395 176.870 -0.622 0.000 0.974 277 L CA -2.418 52.265 54.840 -0.262 0.000 0.826 277 L CB 1.857 43.982 42.059 0.110 0.000 1.291 277 L HN 0.378 nan 8.230 nan 0.000 0.406 278 P HA 0.106 nan 4.420 nan 0.000 0.270 278 P C 0.681 177.790 177.300 -0.319 0.000 1.223 278 P CA -0.422 62.525 63.100 -0.255 0.000 0.785 278 P CB 0.747 32.381 31.700 -0.109 0.000 0.923 279 L N 2.806 123.809 121.223 -0.367 0.000 2.089 279 L HA -0.234 4.106 4.340 0.000 0.000 0.213 279 L C 2.090 178.735 176.870 -0.374 0.000 1.079 279 L CA 1.903 56.449 54.840 -0.490 0.000 0.758 279 L CB -1.166 40.627 42.059 -0.442 0.000 0.891 279 L HN 0.491 nan 8.230 nan 0.000 0.433 280 E N -1.856 118.165 120.200 -0.298 0.000 2.265 280 E HA -0.252 4.099 4.350 0.000 0.000 0.196 280 E C 1.163 177.621 176.600 -0.237 0.000 0.996 280 E CA 1.374 57.629 56.400 -0.242 0.000 0.832 280 E CB -0.665 28.861 29.700 -0.290 0.000 0.756 280 E HN 0.628 nan 8.360 nan 0.000 0.491 281 H N 0.852 119.876 119.070 -0.077 0.000 2.539 281 H HA 0.186 4.742 4.556 0.000 0.000 0.269 281 H C 1.405 176.702 175.328 -0.053 0.000 0.980 281 H CA 0.765 56.776 56.048 -0.062 0.000 1.152 281 H CB 0.151 29.864 29.762 -0.081 0.000 1.407 281 H HN 0.152 nan 8.280 nan 0.000 0.564 282 T N 1.614 116.149 114.554 -0.031 0.000 2.597 282 T HA -0.163 4.187 4.350 0.000 0.000 0.267 282 T C 2.338 176.994 174.700 -0.074 0.000 1.053 282 T CA 1.214 63.244 62.100 -0.116 0.000 1.165 282 T CB -0.291 68.306 68.868 -0.452 0.000 0.863 282 T HN 0.277 nan 8.240 nan 0.000 0.427 283 L N 0.646 121.827 121.223 -0.070 0.000 2.141 283 L HA -0.042 4.298 4.340 0.000 0.000 0.209 283 L C 3.080 179.875 176.870 -0.125 0.000 1.094 283 L CA 1.072 55.757 54.840 -0.258 0.000 0.763 283 L CB -0.800 40.921 42.059 -0.564 0.000 0.908 283 L HN 0.267 nan 8.230 nan 0.000 0.437 284 A N -0.068 122.745 122.820 -0.011 0.000 1.902 284 A HA -0.123 4.197 4.320 0.000 0.000 0.217 284 A C 2.353 179.984 177.584 0.077 0.000 1.181 284 A CA 1.642 53.709 52.037 0.049 0.000 0.623 284 A CB -0.707 18.323 19.000 0.051 0.000 0.818 284 A HN 0.179 nan 8.150 nan 0.000 0.443 285 V N -0.171 119.809 119.914 0.111 0.000 2.307 285 V HA -0.207 3.913 4.120 0.000 0.000 0.245 285 V C 3.070 179.317 176.094 0.255 0.000 1.045 285 V CA 1.813 64.226 62.300 0.189 0.000 1.024 285 V CB -1.260 30.736 31.823 0.288 0.000 0.651 285 V HN 0.611 nan 8.190 nan 0.000 0.449 286 A N -0.301 122.699 122.820 0.299 0.000 1.892 286 A HA -0.323 3.997 4.320 0.000 0.000 0.218 286 A C 2.295 180.001 177.584 0.203 0.000 1.188 286 A CA 2.291 54.532 52.037 0.341 0.000 0.631 286 A CB -0.609 18.549 19.000 0.264 0.000 0.822 286 A HN 0.629 nan 8.150 nan 0.000 0.447 287 E N -0.330 119.986 120.200 0.193 0.000 2.077 287 E HA -0.128 4.222 4.350 0.000 0.000 0.193 287 E C 2.150 178.780 176.600 0.049 0.000 0.989 287 E CA 1.017 57.500 56.400 0.139 0.000 0.800 287 E CB -0.259 29.581 29.700 0.232 0.000 0.746 287 E HN 0.547 nan 8.360 nan 0.000 0.452 288 A N 0.453 123.312 122.820 0.066 0.000 1.902 288 A HA -0.136 4.184 4.320 0.000 0.000 0.217 288 A C 2.380 179.971 177.584 0.013 0.000 1.181 288 A CA 1.429 53.476 52.037 0.016 0.000 0.623 288 A CB -0.585 18.436 19.000 0.035 0.000 0.818 288 A HN 0.227 nan 8.150 nan 0.000 0.443 289 V N -0.447 119.541 119.914 0.122 0.000 2.358 289 V HA -0.208 3.912 4.120 0.000 0.000 0.246 289 V C 2.574 178.730 176.094 0.104 0.000 1.047 289 V CA 1.902 64.341 62.300 0.233 0.000 1.035 289 V CB -0.710 31.281 31.823 0.281 0.000 0.658 289 V HN 0.373 nan 8.190 nan 0.000 0.452 290 V N 1.005 120.852 119.914 -0.112 0.000 2.295 290 V HA -0.264 3.856 4.120 0.000 0.000 0.246 290 V C 2.837 178.811 176.094 -0.199 0.000 1.049 290 V CA 2.604 64.679 62.300 -0.375 0.000 1.024 290 V CB -1.261 30.286 31.823 -0.460 0.000 0.648 290 V HN 0.832 nan 8.190 nan 0.000 0.447 291 T N -2.805 111.660 114.554 -0.147 0.000 2.821 291 T HA -0.211 4.139 4.350 0.000 0.000 0.267 291 T C 1.812 176.380 174.700 -0.220 0.000 1.046 291 T CA 2.027 64.040 62.100 -0.145 0.000 1.139 291 T CB -0.760 68.035 68.868 -0.122 0.000 0.871 291 T HN 0.438 nan 8.240 nan 0.000 0.454 292 T N 1.846 116.195 114.554 -0.341 0.000 2.708 292 T HA -0.124 4.226 4.350 0.000 0.000 0.266 292 T C 2.053 176.472 174.700 -0.469 0.000 1.037 292 T CA 1.657 63.319 62.100 -0.730 0.000 1.146 292 T CB -0.463 67.686 68.868 -1.198 0.000 0.865 292 T HN 0.506 nan 8.240 nan 0.000 0.435 293 Q N 1.681 121.456 119.800 -0.041 0.000 2.084 293 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 293 Q C 2.241 178.329 176.000 0.147 0.000 0.978 293 Q CA 1.602 57.556 55.803 0.252 0.000 0.844 293 Q CB -0.398 28.578 28.738 0.397 0.000 0.898 293 Q HN 0.458 nan 8.270 nan 0.000 0.426 294 R N -0.235 120.285 120.500 0.034 0.000 2.091 294 R HA -0.167 4.174 4.340 0.000 0.000 0.238 294 R C 1.000 177.340 176.300 0.066 0.000 1.136 294 R CA 1.928 58.051 56.100 0.039 0.000 0.959 294 R CB -0.272 30.018 30.300 -0.017 0.000 0.856 294 R HN 0.348 nan 8.270 nan 0.000 0.437 295 D N -0.755 119.661 120.400 0.027 0.000 2.137 295 D HA -0.131 4.509 4.640 0.000 0.000 0.202 295 D C 1.583 178.095 176.300 0.354 0.000 0.970 295 D CA 0.926 54.999 54.000 0.122 0.000 0.837 295 D CB -0.254 40.571 40.800 0.042 0.000 0.981 295 D HN 0.354 nan 8.370 nan 0.000 0.475 296 W N 1.723 123.051 121.300 0.047 0.000 2.863 296 W HA 0.330 4.990 4.660 0.000 0.000 0.258 296 W C 1.218 177.808 176.519 0.119 0.000 1.298 296 W CA -0.641 56.750 57.345 0.077 0.000 1.451 296 W CB -0.911 28.599 29.460 0.083 0.000 1.107 296 W HN -0.212 nan 8.180 nan 0.000 0.641 297 G N 2.015 111.026 108.800 0.352 0.000 2.353 297 G HA2 -0.099 3.861 3.960 0.000 0.000 0.239 297 G HA3 -0.099 3.861 3.960 0.000 0.000 0.239 297 G C 0.102 175.116 174.900 0.191 0.000 1.295 297 G CA -0.363 44.899 45.100 0.269 0.000 0.884 297 G HN -0.064 nan 8.290 nan 0.000 0.537 298 N N 1.616 120.413 118.700 0.161 0.000 2.416 298 N HA 0.023 4.763 4.740 0.000 0.000 0.271 298 N C 1.430 176.988 175.510 0.081 0.000 1.245 298 N CA -0.121 52.988 53.050 0.099 0.000 0.940 298 N CB 0.495 39.022 38.487 0.067 0.000 1.175 298 N HN 0.542 nan 8.380 nan 0.000 0.483 299 R N 1.905 122.447 120.500 0.070 0.000 2.173 299 R HA 0.014 4.354 4.340 0.000 0.000 0.208 299 R C 1.152 177.474 176.300 0.035 0.000 1.035 299 R CA 0.814 56.949 56.100 0.058 0.000 1.004 299 R CB 0.054 30.388 30.300 0.058 0.000 0.917 299 R HN 0.545 nan 8.270 nan 0.000 0.462 300 T N 0.758 115.327 114.554 0.025 0.000 2.643 300 T HA -0.151 4.200 4.350 0.000 0.000 0.264 300 T C 0.729 175.429 174.700 -0.000 0.000 1.045 300 T CA 1.243 63.349 62.100 0.011 0.000 1.155 300 T CB -0.197 68.674 68.868 0.005 0.000 0.863 300 T HN 0.097 nan 8.240 nan 0.000 0.420 301 D N 0.664 121.057 120.400 -0.012 0.000 2.396 301 D HA 0.199 4.839 4.640 0.000 0.000 0.225 301 D C 1.009 177.288 176.300 -0.035 0.000 1.121 301 D CA -0.513 53.466 54.000 -0.035 0.000 0.853 301 D CB 0.806 41.568 40.800 -0.064 0.000 1.043 301 D HN 0.102 nan 8.370 nan 0.000 0.500 302 R N 3.386 123.874 120.500 -0.020 0.000 2.159 302 R HA -0.104 4.236 4.340 0.000 0.000 0.237 302 R C 0.998 177.282 176.300 -0.026 0.000 1.131 302 R CA 1.268 57.366 56.100 -0.004 0.000 0.982 302 R CB 0.188 30.492 30.300 0.006 0.000 0.868 302 R HN 0.257 nan 8.270 nan 0.000 0.453 303 K N -0.359 119.994 120.400 -0.078 0.000 2.486 303 K HA -0.021 4.299 4.320 0.000 0.000 0.194 303 K C 1.050 177.448 176.600 -0.336 0.000 1.033 303 K CA 0.718 56.926 56.287 -0.133 0.000 1.004 303 K CB 0.059 32.473 32.500 -0.144 0.000 0.798 303 K HN 0.269 nan 8.250 nan 0.000 0.495 304 N N -0.193 118.321 118.700 -0.310 0.000 2.194 304 N HA 0.117 4.858 4.740 0.000 0.000 0.231 304 N C 0.767 176.236 175.510 -0.067 0.000 1.247 304 N CA 0.075 52.811 53.050 -0.525 0.000 0.884 304 N CB 0.690 38.944 38.487 -0.389 0.000 1.146 304 N HN 0.069 nan 8.380 nan 0.000 0.516 305 A N 0.742 123.595 122.820 0.056 0.000 1.970 305 A HA 0.015 4.335 4.320 0.000 0.000 0.216 305 A C 1.196 178.915 177.584 0.225 0.000 1.170 305 A CA 0.650 52.771 52.037 0.140 0.000 0.645 305 A CB -0.108 18.954 19.000 0.102 0.000 0.816 305 A HN 0.158 nan 8.150 nan 0.000 0.447 306 K N 0.446 121.016 120.400 0.283 0.000 2.518 306 K HA 0.089 4.409 4.320 0.000 0.000 0.276 306 K C 1.143 177.843 176.600 0.168 0.000 0.974 306 K CA 1.012 57.420 56.287 0.202 0.000 0.986 306 K CB 0.252 32.836 32.500 0.140 0.000 0.901 306 K HN 0.262 nan 8.250 nan 0.000 0.497 307 T N 3.571 118.180 114.554 0.091 0.000 2.737 307 T HA -0.228 4.122 4.350 0.000 0.000 0.269 307 T C 1.329 176.011 174.700 -0.030 0.000 1.040 307 T CA 1.989 64.129 62.100 0.067 0.000 1.142 307 T CB -0.250 68.608 68.868 -0.017 0.000 0.861 307 T HN 0.717 nan 8.240 nan 0.000 0.456 308 K N 0.401 120.711 120.400 -0.152 0.000 2.152 308 K HA -0.176 4.144 4.320 0.000 0.000 0.206 308 K C 1.737 178.259 176.600 -0.130 0.000 1.048 308 K CA 1.609 57.775 56.287 -0.202 0.000 0.933 308 K CB -0.568 31.727 32.500 -0.342 0.000 0.721 308 K HN 0.332 nan 8.250 nan 0.000 0.447 309 Y N 2.352 122.697 120.300 0.074 0.000 2.286 309 Y HA -0.029 4.521 4.550 0.000 0.000 0.293 309 Y C 2.737 178.731 175.900 0.157 0.000 1.124 309 Y CA 1.262 59.424 58.100 0.104 0.000 1.178 309 Y CB -0.663 37.806 38.460 0.015 0.000 1.010 309 Y HN 0.074 nan 8.280 nan 0.000 0.536 310 T N 0.769 115.511 114.554 0.313 0.000 2.708 310 T HA -0.189 4.161 4.350 0.000 0.000 0.266 310 T C 2.140 177.046 174.700 0.344 0.000 1.037 310 T CA 1.349 63.659 62.100 0.350 0.000 1.146 310 T CB -0.651 68.482 68.868 0.441 0.000 0.865 310 T HN 0.218 nan 8.240 nan 0.000 0.435 311 L N 0.783 122.139 121.223 0.222 0.000 2.042 311 L HA -0.119 4.222 4.340 0.000 0.000 0.210 311 L C 2.903 179.886 176.870 0.188 0.000 1.076 311 L CA 1.283 56.224 54.840 0.169 0.000 0.749 311 L CB -0.412 41.650 42.059 0.004 0.000 0.893 311 L HN 0.228 nan 8.230 nan 0.000 0.432 312 E N -0.470 119.844 120.200 0.190 0.000 2.150 312 E HA -0.200 4.150 4.350 0.000 0.000 0.193 312 E C 2.158 178.864 176.600 0.177 0.000 0.985 312 E CA 0.772 57.282 56.400 0.183 0.000 0.814 312 E CB -0.076 29.778 29.700 0.257 0.000 0.752 312 E HN 0.406 nan 8.360 nan 0.000 0.466 313 R N 0.711 121.332 120.500 0.202 0.000 2.062 313 R HA -0.085 4.255 4.340 0.000 0.000 0.229 313 R C 2.389 178.755 176.300 0.110 0.000 1.128 313 R CA 1.541 57.732 56.100 0.151 0.000 0.960 313 R CB 0.095 30.487 30.300 0.155 0.000 0.855 313 R HN 0.176 nan 8.270 nan 0.000 0.432 314 V N -2.928 117.077 119.914 0.153 0.000 3.174 314 V HA 0.387 4.507 4.120 0.000 0.000 0.254 314 V C 0.584 176.765 176.094 0.145 0.000 1.120 314 V CA 0.549 62.911 62.300 0.104 0.000 1.114 314 V CB 0.030 31.915 31.823 0.104 0.000 0.756 314 V HN 0.465 nan 8.190 nan 0.000 0.467 315 G N -0.507 108.404 108.800 0.184 0.000 2.788 315 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 315 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 315 G C -0.135 174.883 174.900 0.196 0.000 1.147 315 G CA -0.367 44.822 45.100 0.149 0.000 0.755 315 G HN 0.574 nan 8.290 nan 0.000 0.634 316 V N 1.742 121.729 119.914 0.122 0.000 2.287 316 V HA -0.162 3.958 4.120 0.000 0.000 0.248 316 V C 2.699 178.771 176.094 -0.037 0.000 1.053 316 V CA 2.752 65.092 62.300 0.066 0.000 1.027 316 V CB -0.392 31.444 31.823 0.022 0.000 0.646 316 V HN 0.793 nan 8.190 nan 0.000 0.447 317 E N -0.111 120.081 120.200 -0.013 0.000 2.150 317 E HA -0.148 4.202 4.350 0.000 0.000 0.193 317 E C 2.283 178.917 176.600 0.056 0.000 0.985 317 E CA 1.657 58.040 56.400 -0.029 0.000 0.814 317 E CB -0.663 29.034 29.700 -0.004 0.000 0.752 317 E HN 0.598 nan 8.360 nan 0.000 0.466 318 T N 1.137 115.776 114.554 0.141 0.000 2.737 318 T HA -0.102 4.248 4.350 0.000 0.000 0.265 318 T C 1.589 176.521 174.700 0.387 0.000 1.038 318 T CA 0.883 63.116 62.100 0.223 0.000 1.144 318 T CB -0.390 68.593 68.868 0.192 0.000 0.866 318 T HN 0.094 nan 8.240 nan 0.000 0.434 319 F N 2.094 122.223 119.950 0.298 0.000 2.146 319 F HA 0.028 4.555 4.527 0.000 0.000 0.298 319 F C 2.317 178.178 175.800 0.101 0.000 1.096 319 F CA 1.214 59.403 58.000 0.314 0.000 1.275 319 F CB -0.170 39.046 39.000 0.360 0.000 1.008 319 F HN -0.034 nan 8.300 nan 0.000 0.480 320 K N 0.236 120.708 120.400 0.119 0.000 2.026 320 K HA -0.175 4.145 4.320 0.000 0.000 0.208 320 K C 2.245 178.912 176.600 0.111 0.000 1.048 320 K CA 1.315 57.529 56.287 -0.122 0.000 0.929 320 K CB -0.461 31.716 32.500 -0.539 0.000 0.713 320 K HN 0.270 nan 8.250 nan 0.000 0.439 321 A N 1.175 124.045 122.820 0.083 0.000 1.908 321 A HA -0.225 4.096 4.320 0.000 0.000 0.218 321 A C 1.994 179.615 177.584 0.061 0.000 1.181 321 A CA 2.061 54.147 52.037 0.082 0.000 0.627 321 A CB -0.633 18.417 19.000 0.084 0.000 0.818 321 A HN 0.532 nan 8.150 nan 0.000 0.445 322 E N -0.173 120.052 120.200 0.042 0.000 2.106 322 E HA -0.098 4.252 4.350 0.000 0.000 0.192 322 E C 1.790 178.323 176.600 -0.112 0.000 0.984 322 E CA 1.378 57.734 56.400 -0.073 0.000 0.806 322 E CB -0.380 29.148 29.700 -0.286 0.000 0.750 322 E HN 0.246 nan 8.360 nan 0.000 0.458 323 V N 0.858 120.754 119.914 -0.029 0.000 2.343 323 V HA -0.242 3.878 4.120 0.000 0.000 0.247 323 V C 2.101 178.209 176.094 0.025 0.000 1.051 323 V CA 2.233 64.580 62.300 0.078 0.000 1.036 323 V CB -0.472 31.601 31.823 0.416 0.000 0.654 323 V HN 0.315 nan 8.190 nan 0.000 0.451 324 E N -0.364 119.848 120.200 0.020 0.000 2.072 324 E HA -0.218 4.132 4.350 0.000 0.000 0.191 324 E C 2.457 178.999 176.600 -0.097 0.000 0.985 324 E CA 1.021 57.352 56.400 -0.115 0.000 0.801 324 E CB -0.177 29.482 29.700 -0.069 0.000 0.750 324 E HN 0.418 nan 8.360 nan 0.000 0.452 325 R N 1.037 121.507 120.500 -0.050 0.000 2.073 325 R HA -0.121 4.219 4.340 0.000 0.000 0.234 325 R C 2.259 178.525 176.300 -0.058 0.000 1.134 325 R CA 1.411 57.485 56.100 -0.044 0.000 0.952 325 R CB 0.038 30.326 30.300 -0.019 0.000 0.850 325 R HN 0.055 nan 8.270 nan 0.000 0.433 326 R N -0.459 120.000 120.500 -0.068 0.000 2.092 326 R HA -0.032 4.308 4.340 0.000 0.000 0.231 326 R C 2.198 178.463 176.300 -0.060 0.000 1.119 326 R CA 1.212 57.272 56.100 -0.067 0.000 0.970 326 R CB -0.181 30.063 30.300 -0.092 0.000 0.864 326 R HN 0.237 nan 8.270 nan 0.000 0.440 327 A N 0.153 122.927 122.820 -0.077 0.000 2.016 327 A HA 0.138 4.459 4.320 0.000 0.000 0.217 327 A C 1.505 179.013 177.584 -0.125 0.000 1.162 327 A CA 1.063 53.045 52.037 -0.091 0.000 0.662 327 A CB -0.160 18.763 19.000 -0.129 0.000 0.812 327 A HN 0.459 nan 8.150 nan 0.000 0.450 328 G N -0.788 107.930 108.800 -0.137 0.000 2.142 328 G HA2 -0.177 3.783 3.960 0.000 0.000 0.225 328 G HA3 -0.177 3.783 3.960 0.000 0.000 0.225 328 G C 0.090 174.857 174.900 -0.221 0.000 1.015 328 G CA 0.464 45.483 45.100 -0.135 0.000 0.716 328 G HN 1.542 nan 8.290 nan 0.000 0.508 329 I N -3.369 117.022 120.570 -0.298 0.000 3.174 329 I HA 0.957 5.127 4.170 0.000 0.000 0.313 329 I C -0.598 175.324 176.117 -0.325 0.000 1.155 329 I CA -1.809 59.251 61.300 -0.400 0.000 0.977 329 I CB 2.192 39.793 38.000 -0.666 0.000 1.248 329 I HN 0.164 nan 8.210 nan 0.000 0.453 330 K N 1.922 122.162 120.400 -0.266 0.000 2.376 330 K HA 0.534 4.855 4.320 0.000 0.000 0.257 330 K C -1.741 174.787 176.600 -0.120 0.000 0.939 330 K CA -0.483 55.715 56.287 -0.149 0.000 0.809 330 K CB 1.518 33.993 32.500 -0.042 0.000 1.121 330 K HN 0.445 nan 8.250 nan 0.000 0.425 331 F N 2.178 122.152 119.950 0.040 0.000 2.484 331 F HA 0.135 4.662 4.527 0.000 0.000 0.360 331 F C 0.876 176.739 175.800 0.104 0.000 1.101 331 F CA 0.152 58.201 58.000 0.082 0.000 1.251 331 F CB 0.750 39.811 39.000 0.101 0.000 1.132 331 F HN 0.583 nan 8.300 nan 0.000 0.570 332 E N 3.959 124.384 120.200 0.375 0.000 2.280 332 E HA 0.290 4.640 4.350 0.000 0.000 0.264 332 E C -2.317 174.452 176.600 0.281 0.000 1.064 332 E CA -1.961 54.615 56.400 0.293 0.000 0.900 332 E CB 0.428 30.335 29.700 0.344 0.000 1.123 332 E HN 0.262 nan 8.360 nan 0.000 0.418 333 P HA -0.045 nan 4.420 nan 0.000 0.267 333 P C -0.410 176.983 177.300 0.154 0.000 1.200 333 P CA 0.043 63.225 63.100 0.136 0.000 0.772 333 P CB 0.379 32.127 31.700 0.079 0.000 0.855 334 I N 3.217 123.874 120.570 0.146 0.000 2.775 334 I HA -0.068 4.102 4.170 0.000 0.000 0.290 334 I C 1.297 177.481 176.117 0.112 0.000 1.203 334 I CA 0.842 62.243 61.300 0.169 0.000 1.433 334 I CB -0.296 37.808 38.000 0.174 0.000 1.354 334 I HN 0.310 nan 8.210 nan 0.000 0.579 335 R N 6.926 127.483 120.500 0.094 0.000 2.404 335 R HA 0.352 4.692 4.340 0.000 0.000 0.291 335 R C -2.256 174.121 176.300 0.127 0.000 1.025 335 R CA -1.712 54.387 56.100 -0.002 0.000 0.991 335 R CB 0.497 30.681 30.300 -0.194 0.000 1.053 335 R HN 0.320 nan 8.270 nan 0.000 0.479 336 P HA -0.119 nan 4.420 nan 0.000 0.261 336 P C -1.404 175.972 177.300 0.127 0.000 1.173 336 P CA 0.762 63.898 63.100 0.059 0.000 0.760 336 P CB 0.147 31.842 31.700 -0.008 0.000 0.783 337 Y N 0.096 120.338 120.300 -0.097 0.000 2.552 337 Y HA 0.708 5.258 4.550 0.000 0.000 0.337 337 Y C -1.150 174.588 175.900 -0.270 0.000 1.094 337 Y CA -1.544 56.448 58.100 -0.179 0.000 1.028 337 Y CB 1.453 39.797 38.460 -0.194 0.000 1.321 337 Y HN 0.444 nan 8.280 nan 0.000 0.456 338 E N 2.013 121.971 120.200 -0.404 0.000 2.390 338 E HA 0.699 5.049 4.350 0.000 0.000 0.277 338 E C -2.111 174.225 176.600 -0.440 0.000 0.939 338 E CA -0.822 55.312 56.400 -0.444 0.000 0.769 338 E CB 2.456 32.031 29.700 -0.208 0.000 1.251 338 E HN 0.378 nan 8.360 nan 0.000 0.450 339 F N 0.397 120.393 119.950 0.077 0.000 2.492 339 F HA 0.489 5.017 4.527 0.000 0.000 0.327 339 F C 1.188 177.045 175.800 0.096 0.000 1.079 339 F CA -0.658 57.415 58.000 0.121 0.000 0.967 339 F CB 2.453 41.537 39.000 0.140 0.000 1.169 339 F HN 0.736 nan 8.300 nan 0.000 0.472 340 T N -2.087 112.659 114.554 0.321 0.000 2.975 340 T HA 0.626 4.976 4.350 0.000 0.000 0.257 340 T C 0.447 175.277 174.700 0.216 0.000 1.003 340 T CA 0.216 62.443 62.100 0.212 0.000 0.932 340 T CB 0.250 69.210 68.868 0.153 0.000 1.087 340 T HN 0.921 nan 8.240 nan 0.000 0.512 341 G N 0.212 109.156 108.800 0.241 0.000 2.349 341 G HA2 0.514 4.474 3.960 0.000 0.000 0.294 341 G HA3 0.514 4.474 3.960 0.000 0.000 0.294 341 G C -0.893 174.087 174.900 0.132 0.000 1.380 341 G CA -0.944 44.268 45.100 0.187 0.000 0.811 341 G HN 0.022 nan 8.290 nan 0.000 0.519 342 R N -0.826 119.727 120.500 0.087 0.000 2.541 342 R HA 0.272 4.612 4.340 0.000 0.000 0.332 342 R C 1.102 177.413 176.300 0.018 0.000 0.951 342 R CA 0.179 56.297 56.100 0.030 0.000 1.136 342 R CB 1.580 31.885 30.300 0.008 0.000 1.449 342 R HN 0.654 nan 8.270 nan 0.000 0.531 343 G N 0.450 109.264 108.800 0.023 0.000 2.537 343 G HA2 0.149 4.110 3.960 0.000 0.000 0.273 343 G HA3 0.149 4.110 3.960 0.000 0.000 0.273 343 G C -0.477 174.416 174.900 -0.011 0.000 1.189 343 G CA -0.379 44.713 45.100 -0.013 0.000 0.881 343 G HN -0.082 nan 8.290 nan 0.000 0.535 344 D N -0.633 119.755 120.400 -0.019 0.000 2.383 344 D HA 0.261 4.901 4.640 0.000 0.000 0.248 344 D C 0.429 176.715 176.300 -0.023 0.000 1.170 344 D CA 0.097 54.080 54.000 -0.029 0.000 0.977 344 D CB 0.895 41.681 40.800 -0.023 0.000 1.120 344 D HN 0.226 nan 8.370 nan 0.000 0.481 345 R N 1.051 121.533 120.500 -0.030 0.000 2.666 345 R HA 0.279 4.619 4.340 0.000 0.000 0.275 345 R C -0.259 176.039 176.300 -0.003 0.000 1.266 345 R CA -0.682 55.421 56.100 0.005 0.000 1.401 345 R CB 0.341 30.647 30.300 0.011 0.000 1.145 345 R HN 0.254 nan 8.270 nan 0.000 0.581 346 I N 2.229 122.792 120.570 -0.012 0.000 2.752 346 I HA 0.057 4.227 4.170 0.000 0.000 0.289 346 I C 1.406 177.503 176.117 -0.033 0.000 1.197 346 I CA 1.228 62.509 61.300 -0.031 0.000 1.432 346 I CB -0.347 37.635 38.000 -0.029 0.000 1.359 346 I HN 0.858 nan 8.210 nan 0.000 0.571 347 G N 6.700 115.438 108.800 -0.104 0.000 2.500 347 G HA2 -0.200 3.760 3.960 0.000 0.000 0.209 347 G HA3 -0.200 3.760 3.960 0.000 0.000 0.209 347 G C -1.201 173.629 174.900 -0.117 0.000 1.283 347 G CA -0.763 44.256 45.100 -0.136 0.000 0.960 347 G HN 0.554 nan 8.290 nan 0.000 0.528 348 W N 0.304 121.668 121.300 0.108 0.000 2.315 348 W HA 0.554 5.215 4.660 0.000 0.000 0.316 348 W C 0.710 177.399 176.519 0.283 0.000 1.211 348 W CA 0.094 57.569 57.345 0.218 0.000 1.201 348 W CB 1.674 31.263 29.460 0.216 0.000 1.184 348 W HN 0.852 nan 8.180 nan 0.000 0.544 349 V N 0.489 120.751 119.914 0.581 0.000 2.925 349 V HA 0.543 4.663 4.120 0.000 0.000 0.311 349 V C -0.779 175.325 176.094 0.017 0.000 1.104 349 V CA -1.904 60.569 62.300 0.288 0.000 0.954 349 V CB 1.736 33.668 31.823 0.182 0.000 1.022 349 V HN 0.514 nan 8.190 nan 0.000 0.427 350 K N 2.118 122.278 120.400 -0.399 0.000 2.234 350 K HA 0.671 4.991 4.320 0.000 0.000 0.282 350 K C 0.495 176.784 176.600 -0.518 0.000 1.039 350 K CA 0.392 56.107 56.287 -0.955 0.000 0.928 350 K CB 1.122 33.015 32.500 -1.011 0.000 1.039 350 K HN 1.146 nan 8.250 nan 0.000 0.470 351 G N 3.443 111.881 108.800 -0.602 0.000 2.782 351 G HA2 0.330 4.290 3.960 0.000 0.000 0.201 351 G HA3 0.330 4.290 3.960 0.000 0.000 0.201 351 G C -0.047 174.709 174.900 -0.241 0.000 1.374 351 G CA -0.943 43.948 45.100 -0.348 0.000 1.039 351 G HN 0.750 nan 8.290 nan 0.000 0.576 352 I N -1.530 118.972 120.570 -0.113 0.000 2.575 352 I HA 0.318 4.488 4.170 0.000 0.000 0.285 352 I C 0.100 176.167 176.117 -0.082 0.000 1.085 352 I CA -0.507 60.754 61.300 -0.065 0.000 1.403 352 I CB 0.574 38.578 38.000 0.005 0.000 1.409 352 I HN 0.574 nan 8.210 nan 0.000 0.557 353 D N 3.533 123.894 120.400 -0.065 0.000 3.935 353 D HA -0.273 4.367 4.640 0.000 0.000 0.149 353 D C 0.380 176.639 176.300 -0.067 0.000 0.932 353 D CA 1.701 55.675 54.000 -0.044 0.000 1.083 353 D CB -0.731 40.062 40.800 -0.012 0.000 0.549 353 D HN 1.001 nan 8.370 nan 0.000 0.577 354 D N 1.379 121.767 120.400 -0.020 0.000 2.388 354 D HA 0.039 4.680 4.640 0.000 0.000 0.221 354 D C 0.064 176.405 176.300 0.069 0.000 1.133 354 D CA -0.085 53.937 54.000 0.037 0.000 0.831 354 D CB -0.738 40.110 40.800 0.080 0.000 0.962 354 D HN 0.264 nan 8.370 nan 0.000 0.502 355 N N 0.160 118.820 118.700 -0.067 0.000 2.530 355 N HA 0.204 4.944 4.740 0.000 0.000 0.273 355 N C -1.011 174.306 175.510 -0.322 0.000 1.173 355 N CA -0.042 52.965 53.050 -0.072 0.000 0.967 355 N CB 0.659 39.085 38.487 -0.103 0.000 1.109 355 N HN 0.079 nan 8.380 nan 0.000 0.453 356 W N 0.308 121.515 121.300 -0.156 0.000 2.950 356 W HA 0.336 4.996 4.660 0.000 0.000 0.340 356 W C -0.454 176.065 176.519 -0.001 0.000 1.139 356 W CA -0.567 56.724 57.345 -0.091 0.000 1.188 356 W CB 1.122 30.571 29.460 -0.019 0.000 1.426 356 W HN 0.345 nan 8.180 nan 0.000 0.531 357 H N 2.959 122.345 119.070 0.528 0.000 2.547 357 H HA 0.448 5.004 4.556 0.000 0.000 0.342 357 H C -1.204 174.212 175.328 0.148 0.000 1.048 357 H CA -0.980 55.227 56.048 0.266 0.000 1.204 357 H CB 1.956 31.764 29.762 0.078 0.000 1.493 357 H HN 0.249 nan 8.280 nan 0.000 0.511 358 L N 3.379 124.533 121.223 -0.116 0.000 2.277 358 L HA 0.316 4.656 4.340 0.000 0.000 0.284 358 L C -0.232 176.391 176.870 -0.413 0.000 1.028 358 L CA -0.144 54.302 54.840 -0.656 0.000 0.835 358 L CB 0.927 42.151 42.059 -1.391 0.000 1.215 358 L HN 0.472 nan 8.230 nan 0.000 0.425 359 T N 6.390 120.772 114.554 -0.286 0.000 2.771 359 T HA 0.495 4.845 4.350 0.000 0.000 0.291 359 T C -0.021 174.542 174.700 -0.228 0.000 0.954 359 T CA -0.157 61.809 62.100 -0.224 0.000 1.045 359 T CB 0.417 69.207 68.868 -0.130 0.000 0.917 359 T HN 0.401 nan 8.240 nan 0.000 0.484 360 L N 3.653 124.734 121.223 -0.238 0.000 2.295 360 L HA 0.520 4.860 4.340 0.000 0.000 0.285 360 L C -0.134 176.682 176.870 -0.090 0.000 1.035 360 L CA -1.081 53.649 54.840 -0.184 0.000 0.806 360 L CB 0.932 42.838 42.059 -0.255 0.000 1.214 360 L HN 0.584 nan 8.230 nan 0.000 0.426 361 F N 5.222 125.091 119.950 -0.136 0.000 2.445 361 F HA 0.464 4.991 4.527 0.000 0.000 0.359 361 F C -0.279 175.475 175.800 -0.076 0.000 1.101 361 F CA -0.258 57.684 58.000 -0.097 0.000 1.177 361 F CB 0.331 39.282 39.000 -0.081 0.000 1.110 361 F HN 0.216 nan 8.300 nan 0.000 0.522 362 I N 6.135 126.191 120.570 -0.857 0.000 2.411 362 I HA 0.150 4.321 4.170 0.000 0.000 0.284 362 I C -0.345 175.226 176.117 -0.910 0.000 1.012 362 I CA -0.792 60.105 61.300 -0.672 0.000 1.119 362 I CB 1.530 39.348 38.000 -0.303 0.000 1.261 362 I HN 0.588 nan 8.210 nan 0.000 0.448 363 E N 6.873 126.552 120.200 -0.868 0.000 2.493 363 E HA -0.058 4.292 4.350 0.000 0.000 0.255 363 E C 0.349 176.826 176.600 -0.205 0.000 0.999 363 E CA 0.454 56.570 56.400 -0.474 0.000 0.934 363 E CB 0.223 29.857 29.700 -0.110 0.000 0.940 363 E HN 0.573 nan 8.360 nan 0.000 0.473 364 N N 3.272 121.898 118.700 -0.124 0.000 2.778 364 N HA -0.243 4.497 4.740 0.000 0.000 0.249 364 N C 0.705 176.194 175.510 -0.035 0.000 1.069 364 N CA 1.178 54.207 53.050 -0.035 0.000 0.831 364 N CB -1.476 37.017 38.487 0.011 0.000 1.142 364 N HN 0.869 nan 8.380 nan 0.000 0.573 365 G N 0.079 108.821 108.800 -0.097 0.000 2.187 365 G HA2 -0.393 3.567 3.960 0.000 0.000 0.261 365 G HA3 -0.393 3.567 3.960 0.000 0.000 0.261 365 G C 0.137 175.051 174.900 0.022 0.000 1.000 365 G CA 0.926 45.997 45.100 -0.049 0.000 0.718 365 G HN 0.607 nan 8.290 nan 0.000 0.519 366 R N 0.326 120.847 120.500 0.036 0.000 2.220 366 R HA 0.605 4.945 4.340 0.000 0.000 0.340 366 R C 0.168 176.554 176.300 0.143 0.000 1.076 366 R CA -0.681 55.485 56.100 0.110 0.000 0.920 366 R CB -0.087 30.299 30.300 0.143 0.000 1.062 366 R HN 0.270 nan 8.270 nan 0.000 0.469 367 I N 6.280 126.928 120.570 0.131 0.000 2.307 367 I HA 0.337 4.508 4.170 0.000 0.000 0.289 367 I C -0.747 175.410 176.117 0.067 0.000 1.021 367 I CA -0.607 60.769 61.300 0.126 0.000 1.224 367 I CB 0.968 39.072 38.000 0.174 0.000 1.376 367 I HN 0.479 nan 8.210 nan 0.000 0.470 368 L N 5.920 127.126 121.223 -0.029 0.000 2.671 368 L HA 0.503 4.843 4.340 0.000 0.000 0.259 368 L C -1.627 175.015 176.870 -0.381 0.000 1.021 368 L CA -0.481 54.212 54.840 -0.245 0.000 0.871 368 L CB 2.267 44.063 42.059 -0.439 0.000 1.472 368 L HN 0.273 nan 8.230 nan 0.000 0.410 369 D N 1.637 121.839 120.400 -0.331 0.000 2.295 369 D HA 0.383 5.023 4.640 0.000 0.000 0.248 369 D C -1.181 174.917 176.300 -0.338 0.000 1.154 369 D CA 0.593 54.465 54.000 -0.214 0.000 0.857 369 D CB 0.593 41.340 40.800 -0.090 0.000 1.117 369 D HN 0.253 nan 8.370 nan 0.000 0.468 370 Y N 1.324 121.645 120.300 0.035 0.000 2.602 370 Y HA 0.370 4.920 4.550 0.000 0.000 0.330 370 Y C -1.790 174.126 175.900 0.026 0.000 1.114 370 Y CA -2.616 55.504 58.100 0.032 0.000 1.182 370 Y CB 0.621 39.100 38.460 0.031 0.000 1.305 370 Y HN 0.180 nan 8.280 nan 0.000 0.502 371 P HA 0.111 nan 4.420 nan 0.000 0.261 371 P C -0.027 177.335 177.300 0.104 0.000 1.203 371 P CA 1.653 64.823 63.100 0.117 0.000 0.767 371 P CB 0.437 32.197 31.700 0.100 0.000 0.785 372 A N 3.701 126.567 122.820 0.077 0.000 3.396 372 A HA -0.265 4.055 4.320 0.000 0.000 0.267 372 A C 0.600 178.227 177.584 0.071 0.000 1.139 372 A CA 1.115 53.188 52.037 0.061 0.000 1.115 372 A CB -1.942 17.087 19.000 0.047 0.000 1.133 372 A HN 0.611 nan 8.150 nan 0.000 0.920 373 R N -0.380 120.185 120.500 0.109 0.000 2.585 373 R HA 0.301 4.641 4.340 0.000 0.000 0.278 373 R C -2.914 173.468 176.300 0.138 0.000 1.663 373 R CA -1.236 54.936 56.100 0.121 0.000 1.592 373 R CB 1.419 31.805 30.300 0.142 0.000 1.200 373 R HN 0.331 nan 8.270 nan 0.000 0.611 374 P HA 0.041 nan 4.420 nan 0.000 0.230 374 P C 0.779 178.115 177.300 0.059 0.000 1.791 374 P CA 0.040 63.173 63.100 0.056 0.000 1.020 374 P CB 0.125 31.850 31.700 0.041 0.000 1.977 375 L N 0.692 121.965 121.223 0.083 0.000 2.042 375 L HA -0.193 4.147 4.340 0.000 0.000 0.210 375 L C 2.650 179.564 176.870 0.073 0.000 1.076 375 L CA 1.758 56.644 54.840 0.077 0.000 0.749 375 L CB -0.867 41.264 42.059 0.120 0.000 0.893 375 L HN 0.203 nan 8.230 nan 0.000 0.432 376 K N -0.249 120.192 120.400 0.068 0.000 2.057 376 K HA -0.128 4.192 4.320 0.000 0.000 0.206 376 K C 2.059 178.733 176.600 0.124 0.000 1.050 376 K CA 1.673 58.024 56.287 0.106 0.000 0.935 376 K CB 0.039 32.570 32.500 0.052 0.000 0.715 376 K HN 0.184 nan 8.250 nan 0.000 0.439 377 T N -0.158 114.442 114.554 0.078 0.000 2.812 377 T HA -0.055 4.295 4.350 0.000 0.000 0.264 377 T C 1.719 176.469 174.700 0.084 0.000 1.042 377 T CA 1.202 63.349 62.100 0.078 0.000 1.140 377 T CB -0.406 68.490 68.868 0.048 0.000 0.870 377 T HN 0.497 nan 8.240 nan 0.000 0.445 378 G N 1.541 110.379 108.800 0.064 0.000 2.440 378 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 378 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 378 G C 1.470 176.396 174.900 0.043 0.000 1.154 378 G CA 0.565 45.690 45.100 0.042 0.000 0.767 378 G HN 0.440 nan 8.290 nan 0.000 0.552 379 L N -0.453 120.806 121.223 0.061 0.000 2.141 379 L HA 0.023 4.363 4.340 0.000 0.000 0.209 379 L C 2.665 179.655 176.870 0.199 0.000 1.094 379 L CA 0.275 55.142 54.840 0.044 0.000 0.763 379 L CB -0.308 41.779 42.059 0.046 0.000 0.908 379 L HN 0.226 nan 8.230 nan 0.000 0.437 380 L N -0.265 121.119 121.223 0.269 0.000 2.056 380 L HA -0.164 4.176 4.340 0.000 0.000 0.207 380 L C 2.552 179.532 176.870 0.184 0.000 1.078 380 L CA 1.759 56.769 54.840 0.285 0.000 0.749 380 L CB -0.574 41.611 42.059 0.210 0.000 0.901 380 L HN 0.143 nan 8.230 nan 0.000 0.433 381 E N -0.061 120.217 120.200 0.129 0.000 2.110 381 E HA -0.199 4.151 4.350 0.000 0.000 0.193 381 E C 2.337 179.000 176.600 0.106 0.000 0.988 381 E CA 1.728 58.186 56.400 0.097 0.000 0.804 381 E CB -0.314 29.428 29.700 0.071 0.000 0.745 381 E HN 0.599 nan 8.360 nan 0.000 0.458 382 I N 0.773 121.412 120.570 0.115 0.000 2.353 382 I HA -0.183 3.987 4.170 0.000 0.000 0.248 382 I C 2.397 178.651 176.117 0.228 0.000 1.119 382 I CA 0.835 62.220 61.300 0.141 0.000 1.417 382 I CB -0.273 37.767 38.000 0.066 0.000 1.078 382 I HN -0.021 nan 8.210 nan 0.000 0.421 383 A N 0.919 123.879 122.820 0.234 0.000 1.972 383 A HA -0.200 4.120 4.320 0.000 0.000 0.219 383 A C 2.284 179.911 177.584 0.072 0.000 1.169 383 A CA 1.473 53.564 52.037 0.089 0.000 0.635 383 A CB -0.382 18.681 19.000 0.106 0.000 0.810 383 A HN 0.323 nan 8.150 nan 0.000 0.446 384 K N -0.414 120.048 120.400 0.102 0.000 2.148 384 K HA -0.032 4.288 4.320 0.000 0.000 0.204 384 K C 1.618 178.258 176.600 0.066 0.000 1.050 384 K CA 1.612 57.943 56.287 0.073 0.000 0.942 384 K CB -0.271 32.272 32.500 0.073 0.000 0.724 384 K HN 0.829 nan 8.250 nan 0.000 0.446 385 I N -2.666 117.961 120.570 0.095 0.000 4.057 385 I HA 0.135 4.305 4.170 0.000 0.000 0.334 385 I C 0.480 176.675 176.117 0.129 0.000 1.308 385 I CA -0.492 60.863 61.300 0.092 0.000 1.125 385 I CB -0.071 37.983 38.000 0.090 0.000 1.034 385 I HN -0.100 nan 8.210 nan 0.000 0.401 386 H N 3.743 122.842 119.070 0.048 0.000 2.848 386 H HA 0.315 4.871 4.556 0.000 0.000 0.317 386 H C -0.481 174.863 175.328 0.028 0.000 1.046 386 H CA 0.021 56.108 56.048 0.065 0.000 1.470 386 H CB 0.718 30.552 29.762 0.121 0.000 1.483 386 H HN 0.160 nan 8.280 nan 0.000 0.548 387 K N 4.687 124.832 120.400 -0.425 0.000 2.250 387 K HA 0.458 4.779 4.320 0.000 0.000 0.280 387 K C 0.040 176.182 176.600 -0.762 0.000 1.098 387 K CA 0.217 56.270 56.287 -0.390 0.000 0.916 387 K CB 0.742 33.163 32.500 -0.131 0.000 1.209 387 K HN 0.984 nan 8.250 nan 0.000 0.461 388 G N 2.515 110.941 108.800 -0.623 0.000 2.293 388 G HA2 -0.113 3.848 3.960 0.000 0.000 0.282 388 G HA3 -0.113 3.848 3.960 0.000 0.000 0.282 388 G C -1.602 173.194 174.900 -0.173 0.000 1.299 388 G CA -0.911 43.966 45.100 -0.372 0.000 1.018 388 G HN 0.462 nan 8.290 nan 0.000 0.478 389 D N -0.730 119.731 120.400 0.102 0.000 2.494 389 D HA 0.800 5.440 4.640 0.000 0.000 0.259 389 D C -0.663 175.845 176.300 0.347 0.000 1.109 389 D CA -0.099 53.966 54.000 0.108 0.000 1.040 389 D CB 1.091 41.922 40.800 0.053 0.000 1.175 389 D HN 0.124 nan 8.370 nan 0.000 0.584 390 F N 0.027 119.978 119.950 0.001 0.000 2.561 390 F HA 0.480 5.007 4.527 0.000 0.000 0.321 390 F C 0.388 176.124 175.800 -0.106 0.000 1.065 390 F CA -0.839 57.087 58.000 -0.123 0.000 0.934 390 F CB 1.414 40.270 39.000 -0.240 0.000 1.215 390 F HN -0.074 nan 8.300 nan 0.000 0.471 391 R N 2.705 123.217 120.500 0.020 0.000 2.476 391 R HA 0.556 4.896 4.340 0.000 0.000 0.305 391 R C -1.055 175.221 176.300 -0.041 0.000 0.965 391 R CA -0.667 55.412 56.100 -0.035 0.000 0.867 391 R CB 2.262 32.475 30.300 -0.146 0.000 1.176 391 R HN 0.504 nan 8.270 nan 0.000 0.447 392 I N 3.170 123.759 120.570 0.032 0.000 2.352 392 I HA 0.085 4.255 4.170 0.000 0.000 0.290 392 I C 1.226 177.347 176.117 0.008 0.000 1.036 392 I CA -0.120 61.202 61.300 0.037 0.000 1.336 392 I CB 1.241 39.317 38.000 0.127 0.000 1.407 392 I HN 0.625 nan 8.210 nan 0.000 0.497 393 T N 2.584 117.124 114.554 -0.024 0.000 2.847 393 T HA 0.414 4.765 4.350 0.000 0.000 0.279 393 T C 1.031 175.726 174.700 -0.009 0.000 0.984 393 T CA -0.387 61.698 62.100 -0.025 0.000 0.988 393 T CB 1.724 70.564 68.868 -0.046 0.000 1.040 393 T HN 0.630 nan 8.240 nan 0.000 0.528 394 A N 0.926 123.740 122.820 -0.010 0.000 2.235 394 A HA 0.127 4.447 4.320 0.000 0.000 0.208 394 A C 1.634 179.212 177.584 -0.010 0.000 1.172 394 A CA 0.113 52.144 52.037 -0.010 0.000 0.786 394 A CB -0.620 18.370 19.000 -0.017 0.000 0.804 394 A HN 0.809 nan 8.150 nan 0.000 0.479 395 N N 0.179 118.874 118.700 -0.009 0.000 2.273 395 N HA 0.102 4.842 4.740 0.000 0.000 0.231 395 N C -0.579 174.927 175.510 -0.006 0.000 1.134 395 N CA 0.083 53.135 53.050 0.003 0.000 0.856 395 N CB 0.354 38.850 38.487 0.015 0.000 1.068 395 N HN 0.520 nan 8.380 nan 0.000 0.510 396 Q N -0.440 119.351 119.800 -0.016 0.000 2.475 396 Q HA -0.168 4.173 4.340 0.000 0.000 0.280 396 Q C -0.715 175.243 176.000 -0.070 0.000 1.234 396 Q CA 0.723 56.510 55.803 -0.027 0.000 0.873 396 Q CB -1.248 27.475 28.738 -0.025 0.000 1.256 396 Q HN 0.367 nan 8.270 nan 0.000 0.475 397 N N -0.119 118.538 118.700 -0.071 0.000 2.619 397 N HA 0.776 5.516 4.740 0.000 0.000 0.294 397 N C -1.182 174.250 175.510 -0.129 0.000 1.279 397 N CA -0.714 52.266 53.050 -0.117 0.000 0.867 397 N CB 1.212 39.648 38.487 -0.085 0.000 1.329 397 N HN 0.077 nan 8.380 nan 0.000 0.557 398 L N 0.777 121.880 121.223 -0.200 0.000 2.410 398 L HA 0.584 4.924 4.340 0.000 0.000 0.270 398 L C -1.315 175.348 176.870 -0.346 0.000 0.983 398 L CA -0.360 54.309 54.840 -0.286 0.000 0.822 398 L CB 1.258 43.063 42.059 -0.424 0.000 1.285 398 L HN 0.455 nan 8.230 nan 0.000 0.409 399 I N 5.761 126.141 120.570 -0.317 0.000 2.354 399 I HA 0.378 4.548 4.170 0.000 0.000 0.292 399 I C -0.348 175.559 176.117 -0.351 0.000 0.989 399 I CA -0.501 60.617 61.300 -0.302 0.000 1.188 399 I CB 1.531 39.390 38.000 -0.236 0.000 1.342 399 I HN 0.466 nan 8.210 nan 0.000 0.457 400 I N 6.303 126.635 120.570 -0.397 0.000 2.269 400 I HA 0.307 4.477 4.170 0.000 0.000 0.293 400 I C 0.592 176.663 176.117 -0.076 0.000 1.106 400 I CA -0.045 61.017 61.300 -0.396 0.000 1.248 400 I CB 0.603 38.270 38.000 -0.554 0.000 1.444 400 I HN 0.614 nan 8.210 nan 0.000 0.497 401 A N 4.628 127.522 122.820 0.124 0.000 2.309 401 A HA 0.663 4.983 4.320 0.000 0.000 0.298 401 A C 0.960 178.861 177.584 0.527 0.000 1.165 401 A CA 0.081 52.301 52.037 0.306 0.000 0.821 401 A CB 0.624 19.591 19.000 -0.055 0.000 1.102 401 A HN 1.038 nan 8.150 nan 0.000 0.500 402 G N 1.073 110.259 108.800 0.643 0.000 2.326 402 G HA2 -0.053 3.908 3.960 0.000 0.000 0.286 402 G HA3 -0.053 3.908 3.960 0.000 0.000 0.286 402 G C -0.168 174.965 174.900 0.388 0.000 1.096 402 G CA 0.037 45.369 45.100 0.386 0.000 1.003 402 G HN 1.316 nan 8.290 nan 0.000 0.503 403 V N 1.321 121.503 119.914 0.447 0.000 2.406 403 V HA 0.365 4.485 4.120 0.000 0.000 0.272 403 V C -1.352 174.919 176.094 0.295 0.000 1.043 403 V CA -1.533 61.025 62.300 0.431 0.000 0.915 403 V CB 1.580 33.721 31.823 0.530 0.000 0.988 403 V HN 0.244 nan 8.190 nan 0.000 0.466 404 P HA 0.084 nan 4.420 nan 0.000 0.269 404 P C 0.911 178.273 177.300 0.104 0.000 1.209 404 P CA -0.043 63.145 63.100 0.146 0.000 0.776 404 P CB 0.748 32.500 31.700 0.087 0.000 0.876 405 E N 1.976 122.258 120.200 0.137 0.000 2.147 405 E HA -0.266 4.084 4.350 0.000 0.000 0.199 405 E C 1.487 177.987 176.600 -0.166 0.000 1.005 405 E CA 2.023 58.379 56.400 -0.074 0.000 0.810 405 E CB -0.171 29.569 29.700 0.066 0.000 0.736 405 E HN 0.507 nan 8.360 nan 0.000 0.460 406 S N 0.006 115.669 115.700 -0.062 0.000 2.442 406 S HA -0.108 4.362 4.470 0.000 0.000 0.236 406 S C 1.442 176.005 174.600 -0.062 0.000 1.007 406 S CA 0.851 59.014 58.200 -0.062 0.000 0.965 406 S CB 0.009 63.197 63.200 -0.021 0.000 0.773 406 S HN 0.231 nan 8.310 nan 0.000 0.504 407 E N 1.330 121.508 120.200 -0.037 0.000 2.474 407 E HA 0.178 4.528 4.350 0.000 0.000 0.194 407 E C 1.524 178.118 176.600 -0.010 0.000 1.041 407 E CA 0.061 56.467 56.400 0.009 0.000 0.874 407 E CB -0.096 29.658 29.700 0.090 0.000 0.914 407 E HN 0.622 nan 8.360 nan 0.000 0.498 408 K N 1.328 121.620 120.400 -0.181 0.000 2.034 408 K HA -0.179 4.141 4.320 0.000 0.000 0.214 408 K C 2.188 178.736 176.600 -0.085 0.000 1.051 408 K CA 1.770 57.854 56.287 -0.339 0.000 0.931 408 K CB -0.246 31.676 32.500 -0.964 0.000 0.715 408 K HN 0.064 nan 8.250 nan 0.000 0.446 409 A N 1.564 124.307 122.820 -0.127 0.000 1.908 409 A HA -0.245 4.075 4.320 0.000 0.000 0.218 409 A C 2.032 179.630 177.584 0.023 0.000 1.181 409 A CA 1.881 53.891 52.037 -0.046 0.000 0.627 409 A CB -0.386 18.572 19.000 -0.071 0.000 0.818 409 A HN 0.134 nan 8.150 nan 0.000 0.445 410 K N -0.396 120.021 120.400 0.027 0.000 1.991 410 K HA -0.110 4.210 4.320 0.000 0.000 0.212 410 K C 1.630 178.278 176.600 0.081 0.000 1.049 410 K CA 1.769 58.086 56.287 0.050 0.000 0.932 410 K CB -0.543 31.989 32.500 0.055 0.000 0.717 410 K HN 0.426 nan 8.250 nan 0.000 0.441 411 I N 1.009 121.655 120.570 0.126 0.000 2.163 411 I HA -0.259 3.912 4.170 0.000 0.000 0.243 411 I C 2.293 178.482 176.117 0.119 0.000 1.085 411 I CA 1.484 62.866 61.300 0.137 0.000 1.347 411 I CB -0.367 37.759 38.000 0.211 0.000 1.044 411 I HN 0.300 nan 8.210 nan 0.000 0.408 412 E N 0.662 120.986 120.200 0.206 0.000 2.118 412 E HA -0.303 4.047 4.350 0.000 0.000 0.195 412 E C 2.249 178.897 176.600 0.079 0.000 0.992 412 E CA 1.289 57.793 56.400 0.175 0.000 0.804 412 E CB -0.016 29.855 29.700 0.285 0.000 0.741 412 E HN 0.362 nan 8.360 nan 0.000 0.458 413 K N 0.306 120.745 120.400 0.065 0.000 2.032 413 K HA -0.168 4.153 4.320 0.000 0.000 0.209 413 K C 2.095 178.713 176.600 0.029 0.000 1.048 413 K CA 1.664 57.974 56.287 0.039 0.000 0.927 413 K CB -0.099 32.420 32.500 0.032 0.000 0.712 413 K HN 0.170 nan 8.250 nan 0.000 0.441 414 I N 0.602 121.190 120.570 0.030 0.000 2.202 414 I HA -0.231 3.940 4.170 0.000 0.000 0.242 414 I C 2.493 178.611 176.117 0.001 0.000 1.091 414 I CA 1.131 62.444 61.300 0.020 0.000 1.368 414 I CB -0.421 37.594 38.000 0.027 0.000 1.058 414 I HN 0.218 nan 8.210 nan 0.000 0.410 415 A N 0.683 123.491 122.820 -0.020 0.000 1.908 415 A HA -0.277 4.043 4.320 0.000 0.000 0.218 415 A C 2.288 179.854 177.584 -0.031 0.000 1.181 415 A CA 2.065 54.069 52.037 -0.055 0.000 0.627 415 A CB -0.490 18.443 19.000 -0.112 0.000 0.818 415 A HN 0.252 nan 8.150 nan 0.000 0.445 416 K N -0.152 120.242 120.400 -0.010 0.000 2.025 416 K HA -0.090 4.230 4.320 0.000 0.000 0.207 416 K C 1.935 178.539 176.600 0.007 0.000 1.049 416 K CA 1.703 57.990 56.287 0.001 0.000 0.933 416 K CB -0.171 32.338 32.500 0.014 0.000 0.714 416 K HN 0.633 nan 8.250 nan 0.000 0.438 417 E N -0.594 119.613 120.200 0.012 0.000 2.204 417 E HA -0.074 4.276 4.350 0.000 0.000 0.194 417 E C 1.519 178.131 176.600 0.019 0.000 0.989 417 E CA 1.017 57.426 56.400 0.016 0.000 0.824 417 E CB 0.156 29.867 29.700 0.018 0.000 0.756 417 E HN 0.163 nan 8.360 nan 0.000 0.477 418 S N -0.687 115.022 115.700 0.016 0.000 2.562 418 S HA 0.081 4.551 4.470 0.000 0.000 0.221 418 S C 1.369 175.987 174.600 0.030 0.000 0.975 418 S CA 0.571 58.785 58.200 0.023 0.000 0.918 418 S CB 0.614 63.824 63.200 0.016 0.000 0.772 418 S HN 0.508 nan 8.310 nan 0.000 0.531 419 G N 1.090 109.902 108.800 0.021 0.000 2.141 419 G HA2 -0.229 3.731 3.960 0.000 0.000 0.242 419 G HA3 -0.229 3.731 3.960 0.000 0.000 0.242 419 G C 0.563 175.475 174.900 0.019 0.000 0.982 419 G CA 0.278 45.394 45.100 0.026 0.000 0.662 419 G HN 0.492 nan 8.290 nan 0.000 0.527 420 L N -0.786 120.433 121.223 -0.005 0.000 2.418 420 L HA 0.354 4.694 4.340 0.000 0.000 0.218 420 L C 2.423 179.273 176.870 -0.034 0.000 1.125 420 L CA 0.834 55.655 54.840 -0.033 0.000 0.835 420 L CB -0.023 41.987 42.059 -0.082 0.000 0.953 420 L HN 0.366 nan 8.230 nan 0.000 0.454 421 M N -0.966 118.619 119.600 -0.025 0.000 2.576 421 M HA 0.153 4.633 4.480 0.000 0.000 0.322 421 M C -0.307 175.992 176.300 -0.000 0.000 1.184 421 M CA -0.319 54.965 55.300 -0.027 0.000 0.967 421 M CB 0.292 32.864 32.600 -0.048 0.000 1.372 421 M HN 0.019 nan 8.290 nan 0.000 0.509 422 N N 2.280 120.992 118.700 0.020 0.000 2.447 422 N HA 0.175 4.915 4.740 0.000 0.000 0.263 422 N C -0.207 175.311 175.510 0.012 0.000 1.226 422 N CA 0.227 53.288 53.050 0.020 0.000 0.906 422 N CB 0.779 39.285 38.487 0.032 0.000 1.060 422 N HN 0.264 nan 8.380 nan 0.000 0.468 423 A N 2.077 124.889 122.820 -0.013 0.000 2.440 423 A HA 0.428 4.748 4.320 0.000 0.000 0.251 423 A C 0.455 177.997 177.584 -0.070 0.000 1.089 423 A CA -0.375 51.637 52.037 -0.042 0.000 0.779 423 A CB 0.054 19.032 19.000 -0.036 0.000 1.022 423 A HN 0.510 nan 8.150 nan 0.000 0.492 424 V N 0.100 119.931 119.914 -0.137 0.000 3.155 424 V HA 0.884 5.004 4.120 0.000 0.000 0.313 424 V C 0.272 176.248 176.094 -0.197 0.000 1.162 424 V CA -0.250 61.932 62.300 -0.197 0.000 1.048 424 V CB 1.186 32.779 31.823 -0.383 0.000 1.092 424 V HN 1.149 nan 8.190 nan 0.000 0.447 425 T N -1.797 112.645 114.554 -0.187 0.000 2.882 425 T HA 0.445 4.795 4.350 0.000 0.000 0.287 425 T C -1.875 172.722 174.700 -0.172 0.000 1.014 425 T CA -1.297 60.718 62.100 -0.141 0.000 1.049 425 T CB 0.978 69.782 68.868 -0.106 0.000 1.001 425 T HN 0.589 nan 8.240 nan 0.000 0.525 426 P HA -0.114 nan 4.420 nan 0.000 0.219 426 P C 1.696 178.944 177.300 -0.087 0.000 1.146 426 P CA 0.785 63.826 63.100 -0.098 0.000 0.808 426 P CB 0.085 31.789 31.700 0.007 0.000 0.779 427 Q N 0.200 119.972 119.800 -0.048 0.000 2.020 427 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 427 Q C 2.319 178.260 176.000 -0.098 0.000 0.982 427 Q CA 1.774 57.554 55.803 -0.037 0.000 0.838 427 Q CB -0.791 27.913 28.738 -0.056 0.000 0.899 427 Q HN 0.002 nan 8.270 nan 0.000 0.423 428 R N -0.079 120.321 120.500 -0.168 0.000 2.096 428 R HA -0.132 4.208 4.340 0.000 0.000 0.235 428 R C 1.936 178.066 176.300 -0.282 0.000 1.127 428 R CA 1.692 57.669 56.100 -0.204 0.000 0.968 428 R CB -0.081 30.052 30.300 -0.278 0.000 0.861 428 R HN 0.408 nan 8.270 nan 0.000 0.440 429 E N -0.459 119.491 120.200 -0.416 0.000 2.268 429 E HA -0.140 4.211 4.350 0.000 0.000 0.195 429 E C 0.411 176.950 176.600 -0.101 0.000 0.995 429 E CA 0.999 57.184 56.400 -0.358 0.000 0.836 429 E CB 0.052 29.551 29.700 -0.334 0.000 0.763 429 E HN 0.438 nan 8.360 nan 0.000 0.491 430 N N -0.256 118.387 118.700 -0.096 0.000 2.275 430 N HA 0.097 4.837 4.740 0.000 0.000 0.236 430 N C -1.214 174.313 175.510 0.028 0.000 1.154 430 N CA -0.108 52.918 53.050 -0.040 0.000 0.866 430 N CB 1.200 39.640 38.487 -0.079 0.000 1.093 430 N HN -0.156 nan 8.380 nan 0.000 0.515 431 S N 0.579 116.309 115.700 0.049 0.000 2.532 431 S HA 0.623 5.093 4.470 0.000 0.000 0.301 431 S C -0.679 173.981 174.600 0.099 0.000 1.083 431 S CA -0.672 57.571 58.200 0.072 0.000 1.025 431 S CB 2.057 65.296 63.200 0.065 0.000 1.056 431 S HN 0.180 nan 8.310 nan 0.000 0.494 432 M N 1.974 121.626 119.600 0.086 0.000 2.520 432 M HA 0.752 5.232 4.480 0.000 0.000 0.283 432 M C -2.084 174.260 176.300 0.073 0.000 1.237 432 M CA -0.447 54.899 55.300 0.076 0.000 0.885 432 M CB 1.858 34.489 32.600 0.052 0.000 1.727 432 M HN 0.797 nan 8.290 nan 0.000 0.468 433 A N 1.653 124.513 122.820 0.066 0.000 2.556 433 A HA 0.795 5.116 4.320 0.000 0.000 0.294 433 A C -0.752 176.859 177.584 0.044 0.000 1.091 433 A CA -0.680 51.398 52.037 0.068 0.000 0.704 433 A CB 0.658 19.720 19.000 0.104 0.000 1.300 433 A HN 1.252 nan 8.150 nan 0.000 0.406 434 C N -0.130 119.189 119.300 0.032 0.000 2.396 434 C HA 0.663 5.123 4.460 0.000 0.000 0.359 434 C C 1.719 176.713 174.990 0.007 0.000 1.307 434 C CA 0.018 59.041 59.018 0.010 0.000 2.392 434 C CB -0.168 27.564 27.740 -0.012 0.000 2.245 434 C HN 0.754 nan 8.230 nan 0.000 0.615 435 V N 1.251 121.158 119.914 -0.011 0.000 2.237 435 V HA -0.071 4.050 4.120 0.000 0.000 0.245 435 V C 1.975 178.026 176.094 -0.072 0.000 1.046 435 V CA 2.554 64.832 62.300 -0.037 0.000 1.007 435 V CB -1.413 30.387 31.823 -0.039 0.000 0.638 435 V HN 1.378 nan 8.190 nan 0.000 0.445 436 S N -1.455 114.173 115.700 -0.120 0.000 3.525 436 S HA -0.263 4.207 4.470 0.000 0.000 0.629 436 S C -0.171 174.282 174.600 -0.246 0.000 2.621 436 S CA 0.896 58.952 58.200 -0.240 0.000 3.752 436 S CB -1.404 61.689 63.200 -0.178 0.000 0.260 436 S HN 0.304 nan 8.310 nan 0.000 1.214 437 F N 3.527 123.461 119.950 -0.027 0.000 2.539 437 F HA 0.305 4.833 4.527 0.001 0.000 0.340 437 F C -0.330 175.430 175.800 -0.067 0.000 1.185 437 F CA -0.647 57.334 58.000 -0.032 0.000 1.333 437 F CB -0.014 38.984 39.000 -0.004 0.000 1.152 437 F HN 0.373 nan 8.300 nan 0.000 0.602 438 P HA -0.022 nan 4.420 nan 0.000 0.245 438 P C 1.003 178.383 177.300 0.134 0.000 1.203 438 P CA 1.047 64.275 63.100 0.213 0.000 0.792 438 P CB -0.069 31.740 31.700 0.181 0.000 0.997 439 T N -3.121 111.400 114.554 -0.056 0.000 2.978 439 T HA -0.009 4.342 4.350 0.000 0.000 0.262 439 T C 1.162 175.854 174.700 -0.014 0.000 1.063 439 T CA 0.018 62.088 62.100 -0.050 0.000 1.140 439 T CB -1.366 67.369 68.868 -0.222 0.000 0.886 439 T HN 0.056 nan 8.240 nan 0.000 0.470 440 C N 5.289 124.538 119.300 -0.084 0.000 2.627 440 C HA 0.337 4.798 4.460 0.000 0.000 0.404 440 C C -0.399 174.537 174.990 -0.090 0.000 1.340 440 C CA -1.781 57.178 59.018 -0.099 0.000 1.758 440 C CB 0.552 28.189 27.740 -0.171 0.000 2.501 440 C HN 0.421 nan 8.230 nan 0.000 0.588 441 P HA -0.028 nan 4.420 nan 0.000 0.233 441 P C 0.754 178.037 177.300 -0.029 0.000 1.167 441 P CA 1.238 64.338 63.100 0.001 0.000 0.770 441 P CB 0.092 31.805 31.700 0.022 0.000 0.837 442 L N -1.278 119.898 121.223 -0.078 0.000 2.640 442 L HA 0.326 4.667 4.340 0.000 0.000 0.230 442 L C 1.144 177.924 176.870 -0.150 0.000 1.123 442 L CA -0.510 54.282 54.840 -0.080 0.000 0.900 442 L CB -0.345 41.676 42.059 -0.064 0.000 1.146 442 L HN -0.178 nan 8.230 nan 0.000 0.484 443 A N 0.314 122.949 122.820 -0.307 0.000 2.511 443 A HA 0.257 4.578 4.320 0.000 0.000 0.242 443 A C 0.984 178.344 177.584 -0.373 0.000 1.069 443 A CA 0.306 51.995 52.037 -0.580 0.000 0.763 443 A CB 0.452 18.622 19.000 -1.384 0.000 1.001 443 A HN 0.343 nan 8.150 nan 0.000 0.498 444 M N 1.426 120.897 119.600 -0.214 0.000 2.800 444 M HA 0.275 4.755 4.480 0.000 0.000 0.257 444 M C 0.789 177.136 176.300 0.078 0.000 1.309 444 M CA 1.126 56.424 55.300 -0.003 0.000 1.202 444 M CB 0.344 32.940 32.600 -0.008 0.000 1.273 444 M HN 0.776 nan 8.290 nan 0.000 0.528 445 A N 0.171 122.967 122.820 -0.041 0.000 2.515 445 A HA 0.573 4.893 4.320 0.000 0.000 0.296 445 A C -0.803 176.832 177.584 0.086 0.000 1.094 445 A CA -0.811 51.186 52.037 -0.066 0.000 0.718 445 A CB 1.206 19.802 19.000 -0.673 0.000 1.307 445 A HN 0.124 nan 8.150 nan 0.000 0.408 446 E N -0.123 120.200 120.200 0.205 0.000 2.398 446 E HA 0.381 4.731 4.350 0.000 0.000 0.263 446 E C 0.707 177.431 176.600 0.205 0.000 1.046 446 E CA 0.755 57.326 56.400 0.285 0.000 0.908 446 E CB 1.505 31.378 29.700 0.289 0.000 0.963 446 E HN 0.742 nan 8.360 nan 0.000 0.431 447 A N 2.498 125.440 122.820 0.204 0.000 1.848 447 A HA -0.012 4.309 4.320 0.000 0.000 0.184 447 A C 1.798 179.514 177.584 0.220 0.000 1.946 447 A CA 0.552 52.711 52.037 0.203 0.000 1.093 447 A CB -0.376 18.684 19.000 0.100 0.000 1.014 447 A HN 0.625 nan 8.150 nan 0.000 0.638 448 E N 0.526 120.807 120.200 0.135 0.000 2.058 448 E HA -0.214 4.136 4.350 0.000 0.000 0.194 448 E C 1.814 178.496 176.600 0.137 0.000 0.997 448 E CA 1.571 58.038 56.400 0.111 0.000 0.801 448 E CB -0.157 29.577 29.700 0.056 0.000 0.746 448 E HN 0.497 nan 8.360 nan 0.000 0.450 449 R N -0.885 119.716 120.500 0.168 0.000 2.307 449 R HA -0.027 4.313 4.340 0.000 0.000 0.199 449 R C 1.813 178.250 176.300 0.228 0.000 1.000 449 R CA 0.733 56.934 56.100 0.170 0.000 1.023 449 R CB -0.091 30.307 30.300 0.164 0.000 0.908 449 R HN 0.309 nan 8.270 nan 0.000 0.473 450 F N 0.225 120.231 119.950 0.093 0.000 2.559 450 F HA 0.079 4.606 4.527 0.000 0.000 0.286 450 F C 1.745 177.606 175.800 0.102 0.000 1.108 450 F CA 0.032 58.087 58.000 0.092 0.000 1.436 450 F CB 0.005 39.061 39.000 0.094 0.000 1.130 450 F HN -0.162 nan 8.300 nan 0.000 0.584 451 L N 1.901 123.177 121.223 0.088 0.000 2.013 451 L HA -0.085 4.255 4.340 0.000 0.000 0.212 451 L C -0.907 175.951 176.870 -0.021 0.000 1.073 451 L CA 2.321 57.175 54.840 0.023 0.000 0.753 451 L CB -1.659 40.472 42.059 0.120 0.000 0.890 451 L HN 0.009 nan 8.230 nan 0.000 0.432 452 P HA -0.158 nan 4.420 nan 0.000 0.214 452 P C 1.863 179.121 177.300 -0.070 0.000 1.163 452 P CA 2.234 65.320 63.100 -0.023 0.000 0.883 452 P CB -0.217 31.474 31.700 -0.016 0.000 0.788 453 S N -1.690 113.956 115.700 -0.091 0.000 2.406 453 S HA -0.144 4.327 4.470 0.000 0.000 0.228 453 S C 1.879 176.388 174.600 -0.151 0.000 1.020 453 S CA 0.594 58.733 58.200 -0.100 0.000 0.965 453 S CB -1.662 61.502 63.200 -0.061 0.000 0.798 453 S HN 0.024 nan 8.310 nan 0.000 0.488 454 F N 2.948 122.621 119.950 -0.461 0.000 2.113 454 F HA 0.087 4.615 4.527 0.000 0.000 0.297 454 F C 1.874 177.509 175.800 -0.275 0.000 1.103 454 F CA 0.807 58.493 58.000 -0.524 0.000 1.248 454 F CB -0.329 38.076 39.000 -0.991 0.000 0.999 454 F HN 0.078 nan 8.300 nan 0.000 0.475 455 I N 0.464 120.859 120.570 -0.291 0.000 2.493 455 I HA -0.214 3.956 4.170 0.000 0.000 0.254 455 I C 1.843 177.806 176.117 -0.256 0.000 1.160 455 I CA 1.062 62.175 61.300 -0.311 0.000 1.445 455 I CB -1.468 36.449 38.000 -0.138 0.000 1.086 455 I HN 0.141 nan 8.210 nan 0.000 0.433 456 D N 1.187 121.472 120.400 -0.192 0.000 2.123 456 D HA -0.163 4.477 4.640 0.000 0.000 0.196 456 D C 1.885 178.084 176.300 -0.169 0.000 0.992 456 D CA 1.063 54.976 54.000 -0.144 0.000 0.833 456 D CB -0.212 40.527 40.800 -0.102 0.000 0.954 456 D HN 0.298 nan 8.370 nan 0.000 0.455 457 N N 0.497 119.066 118.700 -0.219 0.000 2.188 457 N HA -0.085 4.655 4.740 0.000 0.000 0.184 457 N C 1.881 177.235 175.510 -0.260 0.000 1.018 457 N CA 0.396 53.320 53.050 -0.210 0.000 0.858 457 N CB -0.075 38.297 38.487 -0.191 0.000 0.989 457 N HN 0.205 nan 8.380 nan 0.000 0.426 458 I N 1.677 122.001 120.570 -0.409 0.000 2.315 458 I HA -0.185 3.986 4.170 0.000 0.000 0.248 458 I C 1.469 177.462 176.117 -0.207 0.000 1.117 458 I CA 1.181 62.262 61.300 -0.364 0.000 1.404 458 I CB -0.978 36.720 38.000 -0.503 0.000 1.071 458 I HN 0.023 nan 8.210 nan 0.000 0.419 459 D N 1.084 121.372 120.400 -0.186 0.000 2.123 459 D HA -0.172 4.469 4.640 0.000 0.000 0.196 459 D C 1.897 178.139 176.300 -0.097 0.000 0.992 459 D CA 1.049 54.976 54.000 -0.122 0.000 0.833 459 D CB -0.271 40.460 40.800 -0.115 0.000 0.954 459 D HN 0.264 nan 8.370 nan 0.000 0.455 460 N N 0.242 118.879 118.700 -0.106 0.000 2.120 460 N HA -0.074 4.666 4.740 0.000 0.000 0.188 460 N C 2.049 177.506 175.510 -0.088 0.000 1.024 460 N CA 0.458 53.455 53.050 -0.089 0.000 0.852 460 N CB -0.408 38.028 38.487 -0.085 0.000 1.003 460 N HN 0.243 nan 8.380 nan 0.000 0.424 461 L N 0.059 121.234 121.223 -0.079 0.000 2.093 461 L HA -0.067 4.273 4.340 0.000 0.000 0.208 461 L C 2.210 179.096 176.870 0.027 0.000 1.085 461 L CA 0.736 55.556 54.840 -0.033 0.000 0.755 461 L CB -0.304 41.760 42.059 0.010 0.000 0.904 461 L HN 0.144 nan 8.230 nan 0.000 0.435 462 M N -0.451 119.154 119.600 0.008 0.000 2.132 462 M HA -0.132 4.348 4.480 0.000 0.000 0.263 462 M C 2.592 178.903 176.300 0.018 0.000 1.065 462 M CA 1.867 57.198 55.300 0.051 0.000 1.122 462 M CB -1.228 31.383 32.600 0.018 0.000 1.365 462 M HN 0.297 nan 8.290 nan 0.000 0.411 463 A N 0.434 123.234 122.820 -0.033 0.000 1.873 463 A HA -0.198 4.122 4.320 0.000 0.000 0.215 463 A C 2.292 179.827 177.584 -0.082 0.000 1.186 463 A CA 1.999 54.005 52.037 -0.051 0.000 0.616 463 A CB -0.724 18.240 19.000 -0.060 0.000 0.823 463 A HN 0.521 nan 8.150 nan 0.000 0.442 464 K N -1.241 119.072 120.400 -0.146 0.000 2.152 464 K HA -0.219 4.101 4.320 0.000 0.000 0.206 464 K C 1.127 177.520 176.600 -0.344 0.000 1.048 464 K CA 1.644 57.772 56.287 -0.265 0.000 0.933 464 K CB -0.239 32.038 32.500 -0.372 0.000 0.721 464 K HN 0.626 nan 8.250 nan 0.000 0.447 465 H N -1.086 117.974 119.070 -0.017 0.000 2.529 465 H HA 0.154 4.710 4.556 0.000 0.000 0.277 465 H C 0.826 176.123 175.328 -0.051 0.000 1.004 465 H CA 0.684 56.718 56.048 -0.023 0.000 1.167 465 H CB 0.865 30.629 29.762 0.004 0.000 1.445 465 H HN 0.518 nan 8.280 nan 0.000 0.554 466 G N 1.408 110.219 108.800 0.018 0.000 2.176 466 G HA2 -0.289 3.671 3.960 0.000 0.000 0.252 466 G HA3 -0.289 3.671 3.960 0.000 0.000 0.252 466 G C 0.760 175.637 174.900 -0.038 0.000 1.024 466 G CA 0.669 45.757 45.100 -0.019 0.000 0.755 466 G HN 0.441 nan 8.290 nan 0.000 0.507 467 V N -2.180 117.727 119.914 -0.012 0.000 2.915 467 V HA 0.515 4.636 4.120 0.000 0.000 0.364 467 V C 1.729 177.833 176.094 0.017 0.000 1.354 467 V CA 0.930 63.210 62.300 -0.034 0.000 1.213 467 V CB -0.064 31.721 31.823 -0.063 0.000 1.268 467 V HN 0.762 nan 8.190 nan 0.000 0.557 468 S N -0.273 115.428 115.700 0.001 0.000 2.469 468 S HA -0.152 4.318 4.470 0.000 0.000 0.238 468 S C 1.133 175.737 174.600 0.006 0.000 0.998 468 S CA 1.450 59.649 58.200 -0.001 0.000 0.957 468 S CB -0.357 62.830 63.200 -0.021 0.000 0.764 468 S HN 0.651 nan 8.310 nan 0.000 0.514 469 D N 0.883 121.289 120.400 0.010 0.000 2.350 469 D HA 0.183 4.823 4.640 0.000 0.000 0.213 469 D C 0.699 177.040 176.300 0.070 0.000 1.031 469 D CA 0.323 54.337 54.000 0.023 0.000 0.861 469 D CB 0.144 40.948 40.800 0.007 0.000 0.926 469 D HN 0.431 nan 8.370 nan 0.000 0.520 470 E N 0.813 121.066 120.200 0.089 0.000 2.330 470 E HA 0.214 4.564 4.350 0.000 0.000 0.256 470 E C 0.455 177.192 176.600 0.229 0.000 1.146 470 E CA -0.271 56.227 56.400 0.165 0.000 0.945 470 E CB 1.226 31.046 29.700 0.200 0.000 1.182 470 E HN 0.329 nan 8.360 nan 0.000 0.480 471 H N -1.741 117.424 119.070 0.159 0.000 3.016 471 H HA 0.554 5.110 4.556 0.000 0.000 0.362 471 H C -1.112 174.223 175.328 0.012 0.000 1.233 471 H CA -0.797 55.284 56.048 0.054 0.000 1.124 471 H CB 0.707 30.480 29.762 0.018 0.000 1.850 471 H HN 0.286 nan 8.280 nan 0.000 0.549 472 I N 2.160 122.710 120.570 -0.034 0.000 2.499 472 I HA 0.133 4.303 4.170 0.000 0.000 0.288 472 I C -0.088 176.019 176.117 -0.016 0.000 1.048 472 I CA -1.208 59.978 61.300 -0.189 0.000 1.062 472 I CB 2.470 40.197 38.000 -0.456 0.000 1.238 472 I HN 0.315 nan 8.210 nan 0.000 0.426 473 V N 7.053 126.993 119.914 0.045 0.000 2.400 473 V HA 0.068 4.188 4.120 0.000 0.000 0.263 473 V C 0.234 176.341 176.094 0.021 0.000 1.026 473 V CA 0.530 62.873 62.300 0.071 0.000 1.077 473 V CB 0.103 31.974 31.823 0.080 0.000 1.054 473 V HN 0.651 nan 8.190 nan 0.000 0.477 474 M N 6.882 126.497 119.600 0.025 0.000 2.181 474 M HA 0.582 5.062 4.480 0.000 0.000 0.323 474 M C -0.524 175.817 176.300 0.069 0.000 1.004 474 M CA -0.366 54.957 55.300 0.038 0.000 0.941 474 M CB 1.279 33.898 32.600 0.032 0.000 1.579 474 M HN 0.561 nan 8.290 nan 0.000 0.427 475 R N 2.821 123.359 120.500 0.063 0.000 2.744 475 R HA 0.794 5.134 4.340 0.000 0.000 0.279 475 R C -1.642 174.683 176.300 0.042 0.000 0.977 475 R CA -0.999 55.134 56.100 0.055 0.000 0.906 475 R CB 2.682 33.000 30.300 0.030 0.000 1.197 475 R HN 0.459 nan 8.270 nan 0.000 0.463 476 V N 1.172 121.113 119.914 0.044 0.000 2.444 476 V HA 0.385 4.505 4.120 0.000 0.000 0.294 476 V C -0.392 175.730 176.094 0.047 0.000 1.022 476 V CA -0.589 61.725 62.300 0.024 0.000 0.850 476 V CB 1.945 33.782 31.823 0.024 0.000 0.992 476 V HN 0.756 nan 8.190 nan 0.000 0.426 477 T N 3.130 117.715 114.554 0.051 0.000 2.807 477 T HA 0.491 4.841 4.350 0.000 0.000 0.279 477 T C 1.215 175.949 174.700 0.056 0.000 0.993 477 T CA 0.372 62.490 62.100 0.031 0.000 0.970 477 T CB 1.507 70.370 68.868 -0.008 0.000 0.950 477 T HN 0.873 nan 8.240 nan 0.000 0.441 478 G N 2.492 111.297 108.800 0.008 0.000 2.498 478 G HA2 0.075 4.035 3.960 0.000 0.000 0.219 478 G HA3 0.075 4.035 3.960 0.000 0.000 0.219 478 G C 0.786 175.644 174.900 -0.071 0.000 1.119 478 G CA 0.889 45.964 45.100 -0.042 0.000 0.766 478 G HN 1.104 nan 8.290 nan 0.000 0.552 479 C N -4.089 115.182 119.300 -0.049 0.000 3.321 479 C HA 0.639 5.099 4.460 0.000 0.000 0.329 479 C C -1.912 173.034 174.990 -0.073 0.000 1.394 479 C CA -1.056 57.936 59.018 -0.043 0.000 1.291 479 C CB 1.641 29.336 27.740 -0.075 0.000 1.606 479 C HN 0.009 nan 8.230 nan 0.000 0.463 480 P HA -0.073 nan 4.420 nan 0.000 0.228 480 P C 0.921 178.146 177.300 -0.125 0.000 1.151 480 P CA 1.300 64.266 63.100 -0.224 0.000 0.770 480 P CB -0.087 31.302 31.700 -0.518 0.000 0.786 481 N N 0.655 119.298 118.700 -0.095 0.000 2.272 481 N HA -0.113 4.627 4.740 0.000 0.000 0.185 481 N C 1.630 177.104 175.510 -0.060 0.000 1.014 481 N CA 1.790 54.802 53.050 -0.063 0.000 0.870 481 N CB -0.898 37.556 38.487 -0.055 0.000 0.975 481 N HN 0.276 nan 8.380 nan 0.000 0.433 482 G N -0.403 108.357 108.800 -0.067 0.000 2.160 482 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 482 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 482 G C 1.142 176.011 174.900 -0.051 0.000 1.022 482 G CA 0.404 45.466 45.100 -0.064 0.000 0.741 482 G HN 0.419 nan 8.290 nan 0.000 0.508 483 C N -0.220 119.053 119.300 -0.045 0.000 2.411 483 C HA 0.159 4.619 4.460 0.000 0.000 0.279 483 C C 2.991 177.965 174.990 -0.027 0.000 1.288 483 C CA 1.471 60.467 59.018 -0.037 0.000 1.764 483 C CB -1.063 26.656 27.740 -0.034 0.000 1.974 483 C HN 0.929 nan 8.230 nan 0.000 0.498 484 G N -0.574 108.213 108.800 -0.021 0.000 2.848 484 G HA2 0.005 3.965 3.960 0.000 0.000 0.208 484 G HA3 0.005 3.965 3.960 0.000 0.000 0.208 484 G C 0.853 175.746 174.900 -0.012 0.000 1.152 484 G CA -0.138 44.957 45.100 -0.007 0.000 0.789 484 G HN 0.691 nan 8.290 nan 0.000 0.531 485 R N -1.436 119.047 120.500 -0.029 0.000 3.525 485 R HA -0.248 4.092 4.340 0.000 0.000 0.276 485 R C 1.717 177.995 176.300 -0.036 0.000 1.116 485 R CA 0.313 56.392 56.100 -0.035 0.000 0.745 485 R CB -1.983 28.300 30.300 -0.028 0.000 1.185 485 R HN 0.435 nan 8.270 nan 0.000 0.454 486 A N 0.315 123.107 122.820 -0.047 0.000 2.019 486 A HA -0.069 4.251 4.320 0.000 0.000 0.219 486 A C 1.821 179.347 177.584 -0.096 0.000 1.164 486 A CA 0.953 52.957 52.037 -0.055 0.000 0.644 486 A CB -0.064 18.898 19.000 -0.062 0.000 0.805 486 A HN 0.231 nan 8.150 nan 0.000 0.449 487 M N -0.621 118.905 119.600 -0.123 0.000 2.691 487 M HA 0.232 4.713 4.480 0.000 0.000 0.227 487 M C 0.595 176.848 176.300 -0.078 0.000 1.120 487 M CA 0.804 56.020 55.300 -0.140 0.000 1.034 487 M CB -0.783 31.724 32.600 -0.154 0.000 1.675 487 M HN 0.367 nan 8.290 nan 0.000 0.514 488 L N -1.255 119.938 121.223 -0.049 0.000 3.259 488 L HA 0.375 4.715 4.340 0.000 0.000 0.292 488 L C 0.726 177.591 176.870 -0.010 0.000 1.219 488 L CA -0.349 54.476 54.840 -0.026 0.000 1.035 488 L CB 0.395 42.447 42.059 -0.012 0.000 1.424 488 L HN 0.075 nan 8.230 nan 0.000 0.603 489 A N -0.046 122.769 122.820 -0.008 0.000 2.271 489 A HA 0.314 4.634 4.320 0.000 0.000 0.288 489 A C 0.979 178.577 177.584 0.024 0.000 1.094 489 A CA -0.200 51.845 52.037 0.012 0.000 0.828 489 A CB 0.677 19.687 19.000 0.016 0.000 1.091 489 A HN 0.290 nan 8.150 nan 0.000 0.493 490 E N -0.705 119.515 120.200 0.034 0.000 2.112 490 E HA 0.033 4.384 4.350 0.000 0.000 0.190 490 E C -0.511 176.145 176.600 0.093 0.000 0.979 490 E CA 0.947 57.382 56.400 0.058 0.000 0.814 490 E CB 0.140 29.878 29.700 0.063 0.000 0.762 490 E HN 0.338 nan 8.360 nan 0.000 0.460 491 V N 0.843 120.792 119.914 0.059 0.000 2.409 491 V HA 0.482 4.602 4.120 0.000 0.000 0.290 491 V C -0.102 176.034 176.094 0.071 0.000 1.017 491 V CA -0.776 61.567 62.300 0.072 0.000 0.841 491 V CB 1.556 33.376 31.823 -0.006 0.000 1.003 491 V HN 0.143 nan 8.190 nan 0.000 0.426 492 G N 4.400 113.260 108.800 0.100 0.000 2.530 492 G HA2 0.703 4.663 3.960 0.000 0.000 0.316 492 G HA3 0.703 4.663 3.960 0.000 0.000 0.316 492 G C -1.524 173.442 174.900 0.111 0.000 1.298 492 G CA -0.560 44.579 45.100 0.066 0.000 0.948 492 G HN 0.452 nan 8.290 nan 0.000 0.486 493 L N 2.006 123.263 121.223 0.056 0.000 2.287 493 L HA 0.491 4.831 4.340 0.000 0.000 0.287 493 L C -0.135 176.819 176.870 0.139 0.000 1.022 493 L CA -0.657 54.222 54.840 0.065 0.000 0.814 493 L CB 2.112 44.046 42.059 -0.208 0.000 1.217 493 L HN 0.262 nan 8.230 nan 0.000 0.420 494 V N 2.935 122.998 119.914 0.248 0.000 2.334 494 V HA 0.519 4.640 4.120 0.000 0.000 0.281 494 V C 0.807 177.066 176.094 0.275 0.000 1.016 494 V CA -0.952 61.481 62.300 0.222 0.000 0.832 494 V CB 1.238 33.169 31.823 0.180 0.000 0.999 494 V HN 0.853 nan 8.190 nan 0.000 0.439 495 G N 3.088 112.004 108.800 0.193 0.000 2.265 495 G HA2 0.169 4.129 3.960 0.000 0.000 0.240 495 G HA3 0.169 4.129 3.960 0.000 0.000 0.240 495 G C 0.444 175.365 174.900 0.036 0.000 1.270 495 G CA 0.153 45.202 45.100 -0.084 0.000 0.901 495 G HN 0.836 nan 8.290 nan 0.000 0.507 496 K N 0.747 121.057 120.400 -0.150 0.000 2.474 496 K HA 0.561 4.881 4.320 0.000 0.000 0.202 496 K C 0.635 177.157 176.600 -0.130 0.000 1.248 496 K CA 0.686 56.888 56.287 -0.141 0.000 0.946 496 K CB 0.579 32.897 32.500 -0.304 0.000 1.102 496 K HN 0.807 nan 8.250 nan 0.000 0.541 497 A N 0.632 123.341 122.820 -0.185 0.000 2.544 497 A HA 0.449 4.769 4.320 0.000 0.000 0.291 497 A C -2.933 174.549 177.584 -0.171 0.000 1.055 497 A CA -1.131 50.832 52.037 -0.122 0.000 0.651 497 A CB 0.591 19.531 19.000 -0.100 0.000 1.296 497 A HN -0.087 nan 8.150 nan 0.000 0.431 498 P HA 0.286 nan 4.420 nan 0.000 0.258 498 P C 1.005 178.218 177.300 -0.145 0.000 1.187 498 P CA 2.480 65.520 63.100 -0.100 0.000 0.767 498 P CB 0.286 31.940 31.700 -0.076 0.000 0.770 499 G N 2.858 111.535 108.800 -0.206 0.000 2.168 499 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 499 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 499 G C 0.041 174.830 174.900 -0.185 0.000 0.977 499 G CA -0.267 44.746 45.100 -0.146 0.000 0.659 499 G HN 0.577 nan 8.290 nan 0.000 0.533 500 R N -0.937 119.319 120.500 -0.408 0.000 2.621 500 R HA 0.699 5.039 4.340 0.000 0.000 0.292 500 R C -1.178 174.796 176.300 -0.542 0.000 0.969 500 R CA -0.727 55.205 56.100 -0.280 0.000 0.887 500 R CB 1.530 31.734 30.300 -0.160 0.000 1.180 500 R HN 0.207 nan 8.270 nan 0.000 0.450 501 Y N -0.063 120.188 120.300 -0.081 0.000 2.609 501 Y HA 0.337 4.888 4.550 0.001 0.000 0.342 501 Y C -0.114 175.788 175.900 0.004 0.000 1.058 501 Y CA -1.306 56.764 58.100 -0.051 0.000 1.055 501 Y CB 1.681 40.085 38.460 -0.095 0.000 1.292 501 Y HN 0.401 nan 8.280 nan 0.000 0.476 502 N N 1.467 120.308 118.700 0.235 0.000 2.438 502 N HA 0.351 5.091 4.740 0.000 0.000 0.282 502 N C -1.528 174.148 175.510 0.277 0.000 1.037 502 N CA -0.526 52.644 53.050 0.201 0.000 0.942 502 N CB 1.608 40.257 38.487 0.269 0.000 1.136 502 N HN 0.515 nan 8.380 nan 0.000 0.481 503 L N 3.856 125.186 121.223 0.178 0.000 2.265 503 L HA 0.321 4.661 4.340 0.000 0.000 0.289 503 L C -0.503 176.464 176.870 0.161 0.000 1.033 503 L CA -0.273 54.698 54.840 0.218 0.000 0.814 503 L CB 0.085 42.288 42.059 0.239 0.000 1.203 503 L HN 0.502 nan 8.230 nan 0.000 0.423 504 H N 6.142 125.283 119.070 0.119 0.000 2.492 504 H HA 0.607 5.163 4.556 0.000 0.000 0.345 504 H C -0.969 174.395 175.328 0.061 0.000 1.136 504 H CA -0.755 55.343 56.048 0.082 0.000 1.202 504 H CB 2.056 31.836 29.762 0.030 0.000 1.524 504 H HN 0.517 nan 8.280 nan 0.000 0.506 505 L N -0.055 121.238 121.223 0.116 0.000 2.393 505 L HA 0.423 4.763 4.340 0.000 0.000 0.260 505 L C 0.723 177.585 176.870 -0.013 0.000 1.002 505 L CA -0.549 54.307 54.840 0.028 0.000 0.818 505 L CB 2.407 44.383 42.059 -0.140 0.000 1.369 505 L HN 0.981 nan 8.230 nan 0.000 0.412 506 G N 0.731 109.509 108.800 -0.036 0.000 2.168 506 G HA2 -0.144 3.817 3.960 0.000 0.000 0.197 506 G HA3 -0.144 3.817 3.960 0.000 0.000 0.197 506 G C 0.325 175.201 174.900 -0.040 0.000 0.997 506 G CA -0.249 44.810 45.100 -0.069 0.000 0.658 506 G HN 1.018 nan 8.290 nan 0.000 0.513 507 G N 0.133 108.928 108.800 -0.009 0.000 2.553 507 G HA2 0.583 4.543 3.960 0.000 0.000 0.278 507 G HA3 0.583 4.543 3.960 0.000 0.000 0.278 507 G C 0.131 175.026 174.900 -0.008 0.000 1.349 507 G CA 0.383 45.476 45.100 -0.011 0.000 1.037 507 G HN 1.167 nan 8.290 nan 0.000 0.508 508 N N -2.728 115.973 118.700 0.002 0.000 2.629 508 N HA 0.299 5.039 4.740 0.000 0.000 0.279 508 N C 0.726 176.259 175.510 0.038 0.000 1.344 508 N CA -1.060 51.999 53.050 0.016 0.000 0.789 508 N CB 1.409 39.906 38.487 0.016 0.000 1.508 508 N HN 0.366 nan 8.380 nan 0.000 0.516 509 R N -0.495 120.038 120.500 0.056 0.000 2.096 509 R HA 0.053 4.393 4.340 0.000 0.000 0.235 509 R C 1.475 177.833 176.300 0.097 0.000 1.127 509 R CA 1.803 57.957 56.100 0.089 0.000 0.968 509 R CB -0.712 29.654 30.300 0.111 0.000 0.861 509 R HN 0.768 nan 8.270 nan 0.000 0.440 510 I N -3.086 117.541 120.570 0.096 0.000 3.251 510 I HA 0.272 4.442 4.170 0.000 0.000 0.277 510 I C 0.786 176.938 176.117 0.057 0.000 1.268 510 I CA 0.598 61.960 61.300 0.102 0.000 1.449 510 I CB 0.059 38.166 38.000 0.178 0.000 1.083 510 I HN 0.159 nan 8.210 nan 0.000 0.464 511 G N 2.566 111.395 108.800 0.049 0.000 2.248 511 G HA2 -0.253 3.707 3.960 0.000 0.000 0.263 511 G HA3 -0.253 3.707 3.960 0.000 0.000 0.263 511 G C 0.465 175.399 174.900 0.055 0.000 1.082 511 G CA 0.490 45.612 45.100 0.038 0.000 0.863 511 G HN 0.654 nan 8.290 nan 0.000 0.495 512 T N -3.393 111.154 114.554 -0.011 0.000 3.129 512 T HA 0.536 4.886 4.350 0.000 0.000 0.267 512 T C 0.579 175.145 174.700 -0.224 0.000 1.018 512 T CA 0.324 62.311 62.100 -0.188 0.000 0.903 512 T CB 0.746 69.582 68.868 -0.053 0.000 1.067 512 T HN 0.657 nan 8.240 nan 0.000 0.549 513 R N 0.495 120.920 120.500 -0.125 0.000 2.651 513 R HA 0.650 4.990 4.340 0.000 0.000 0.278 513 R C -1.536 174.717 176.300 -0.078 0.000 1.010 513 R CA -0.906 55.131 56.100 -0.105 0.000 0.896 513 R CB 1.534 31.791 30.300 -0.071 0.000 1.211 513 R HN 0.245 nan 8.270 nan 0.000 0.456 514 I N 5.457 125.980 120.570 -0.078 0.000 2.395 514 I HA 0.300 4.471 4.170 0.000 0.000 0.289 514 I C -1.833 174.261 176.117 -0.038 0.000 1.023 514 I CA -2.082 59.181 61.300 -0.061 0.000 1.350 514 I CB 1.531 39.489 38.000 -0.070 0.000 1.409 514 I HN 0.378 nan 8.210 nan 0.000 0.507 515 P HA 0.154 nan 4.420 nan 0.000 0.282 515 P C -0.771 176.599 177.300 0.117 0.000 1.262 515 P CA -0.498 62.628 63.100 0.043 0.000 0.773 515 P CB 0.956 32.700 31.700 0.073 0.000 0.879 516 R N 3.660 124.191 120.500 0.050 0.000 2.582 516 R HA 0.310 4.650 4.340 0.000 0.000 0.271 516 R C 0.501 176.764 176.300 -0.062 0.000 1.078 516 R CA -0.613 55.490 56.100 0.006 0.000 1.127 516 R CB 0.351 30.635 30.300 -0.027 0.000 1.038 516 R HN 0.492 nan 8.270 nan 0.000 0.500 517 M N 4.212 123.641 119.600 -0.285 0.000 2.217 517 M HA -0.028 4.452 4.480 0.000 0.000 0.352 517 M C -0.435 175.770 176.300 -0.157 0.000 1.376 517 M CA 0.255 55.194 55.300 -0.601 0.000 1.107 517 M CB 0.639 32.903 32.600 -0.561 0.000 1.723 517 M HN 0.811 nan 8.290 nan 0.000 0.461 518 Y N 5.746 125.910 120.300 -0.227 0.000 2.314 518 Y HA 0.365 4.915 4.550 0.001 0.000 0.294 518 Y C -0.218 175.646 175.900 -0.061 0.000 1.139 518 Y CA 0.989 59.033 58.100 -0.094 0.000 1.162 518 Y CB 0.644 39.081 38.460 -0.037 0.000 1.121 518 Y HN 0.530 nan 8.280 nan 0.000 0.529 519 K N 0.803 121.134 120.400 -0.115 0.000 2.435 519 K HA 0.283 4.603 4.320 0.000 0.000 0.251 519 K C -1.412 175.154 176.600 -0.057 0.000 0.954 519 K CA -0.852 55.338 56.287 -0.162 0.000 0.820 519 K CB 2.754 35.171 32.500 -0.139 0.000 1.292 519 K HN 0.050 nan 8.250 nan 0.000 0.436 520 E N 1.534 121.705 120.200 -0.049 0.000 2.238 520 E HA 0.148 4.498 4.350 0.000 0.000 0.267 520 E C -0.838 175.752 176.600 -0.015 0.000 0.887 520 E CA -0.515 55.872 56.400 -0.021 0.000 0.769 520 E CB 0.948 30.635 29.700 -0.021 0.000 1.187 520 E HN 0.568 nan 8.360 nan 0.000 0.416 521 N N 2.408 121.097 118.700 -0.019 0.000 2.705 521 N HA -0.190 4.550 4.740 0.000 0.000 0.255 521 N C -1.003 174.503 175.510 -0.007 0.000 1.008 521 N CA 1.301 54.328 53.050 -0.039 0.000 0.742 521 N CB -1.378 37.071 38.487 -0.064 0.000 0.906 521 N HN 0.535 nan 8.380 nan 0.000 0.541 522 I N -3.301 117.292 120.570 0.039 0.000 2.863 522 I HA 0.681 4.851 4.170 0.000 0.000 0.311 522 I C 0.952 177.134 176.117 0.107 0.000 1.026 522 I CA -0.798 60.539 61.300 0.062 0.000 1.077 522 I CB 1.967 40.009 38.000 0.070 0.000 1.262 522 I HN 0.134 nan 8.210 nan 0.000 0.461 523 T N -1.180 113.437 114.554 0.104 0.000 2.881 523 T HA 0.245 4.595 4.350 0.000 0.000 0.278 523 T C 0.832 175.642 174.700 0.183 0.000 0.982 523 T CA -0.251 61.931 62.100 0.136 0.000 0.989 523 T CB 1.829 70.757 68.868 0.099 0.000 1.058 523 T HN 0.893 nan 8.240 nan 0.000 0.529 524 E N 0.971 121.308 120.200 0.229 0.000 2.049 524 E HA -0.139 4.211 4.350 0.000 0.000 0.198 524 E C -0.593 176.150 176.600 0.239 0.000 1.007 524 E CA 1.429 58.002 56.400 0.287 0.000 0.809 524 E CB -1.015 28.936 29.700 0.419 0.000 0.749 524 E HN 0.579 nan 8.360 nan 0.000 0.450 525 P HA -0.166 nan 4.420 nan 0.000 0.218 525 P C 0.621 178.001 177.300 0.133 0.000 1.148 525 P CA 1.504 64.690 63.100 0.143 0.000 0.822 525 P CB -0.079 31.686 31.700 0.110 0.000 0.784 526 E N -0.458 119.820 120.200 0.130 0.000 2.107 526 E HA -0.055 4.295 4.350 0.000 0.000 0.191 526 E C 2.232 178.919 176.600 0.146 0.000 0.982 526 E CA 0.619 57.089 56.400 0.117 0.000 0.809 526 E CB -0.434 29.322 29.700 0.095 0.000 0.756 526 E HN 0.259 nan 8.360 nan 0.000 0.459 527 I N 0.607 121.284 120.570 0.178 0.000 2.202 527 I HA -0.234 3.936 4.170 0.000 0.000 0.242 527 I C 2.025 178.279 176.117 0.229 0.000 1.091 527 I CA 0.543 61.971 61.300 0.212 0.000 1.368 527 I CB -0.073 38.059 38.000 0.221 0.000 1.058 527 I HN 0.132 nan 8.210 nan 0.000 0.410 528 L N 0.851 122.212 121.223 0.230 0.000 2.083 528 L HA -0.168 4.172 4.340 0.000 0.000 0.209 528 L C 2.696 179.645 176.870 0.132 0.000 1.083 528 L CA 2.088 57.029 54.840 0.168 0.000 0.752 528 L CB -1.467 40.675 42.059 0.137 0.000 0.899 528 L HN 0.214 nan 8.230 nan 0.000 0.433 529 A N -1.538 121.361 122.820 0.132 0.000 1.933 529 A HA -0.168 4.152 4.320 0.000 0.000 0.218 529 A C 2.454 180.122 177.584 0.141 0.000 1.175 529 A CA 1.875 53.985 52.037 0.120 0.000 0.628 529 A CB -0.565 18.497 19.000 0.105 0.000 0.814 529 A HN 0.477 nan 8.150 nan 0.000 0.444 530 S N 0.186 115.988 115.700 0.169 0.000 2.355 530 S HA -0.058 4.412 4.470 0.000 0.000 0.222 530 S C 1.813 176.534 174.600 0.202 0.000 1.031 530 S CA 1.416 59.746 58.200 0.217 0.000 0.993 530 S CB -0.489 62.888 63.200 0.295 0.000 0.859 530 S HN 0.506 nan 8.310 nan 0.000 0.453 531 L N 1.565 122.889 121.223 0.170 0.000 2.093 531 L HA -0.117 4.223 4.340 0.000 0.000 0.208 531 L C 2.525 179.464 176.870 0.115 0.000 1.085 531 L CA 1.204 56.115 54.840 0.118 0.000 0.755 531 L CB -0.679 41.407 42.059 0.045 0.000 0.904 531 L HN 0.255 nan 8.230 nan 0.000 0.435 532 D N 0.584 121.063 120.400 0.131 0.000 2.106 532 D HA -0.287 4.353 4.640 0.000 0.000 0.191 532 D C 2.036 178.444 176.300 0.180 0.000 0.997 532 D CA 1.754 55.866 54.000 0.186 0.000 0.834 532 D CB 0.089 40.988 40.800 0.164 0.000 0.956 532 D HN 0.368 nan 8.370 nan 0.000 0.448 533 E N -0.333 119.956 120.200 0.148 0.000 2.051 533 E HA -0.147 4.203 4.350 0.000 0.000 0.192 533 E C 2.574 179.238 176.600 0.107 0.000 0.991 533 E CA 0.660 57.131 56.400 0.119 0.000 0.799 533 E CB -0.172 29.607 29.700 0.132 0.000 0.748 533 E HN 0.332 nan 8.360 nan 0.000 0.449 534 L N 0.631 121.955 121.223 0.169 0.000 2.046 534 L HA -0.171 4.169 4.340 0.000 0.000 0.208 534 L C 2.620 179.696 176.870 0.343 0.000 1.077 534 L CA 0.919 55.913 54.840 0.256 0.000 0.747 534 L CB -0.337 41.926 42.059 0.339 0.000 0.896 534 L HN 0.253 nan 8.230 nan 0.000 0.432 535 I N -0.235 120.483 120.570 0.245 0.000 2.315 535 I HA -0.175 3.995 4.170 0.000 0.000 0.248 535 I C 2.610 178.657 176.117 -0.116 0.000 1.117 535 I CA 1.205 62.635 61.300 0.217 0.000 1.404 535 I CB -0.739 37.332 38.000 0.119 0.000 1.071 535 I HN 0.263 nan 8.210 nan 0.000 0.419 536 G N 0.834 109.313 108.800 -0.535 0.000 2.421 536 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 536 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 536 G C 1.821 176.570 174.900 -0.253 0.000 1.171 536 G CA 0.442 45.044 45.100 -0.830 0.000 0.775 536 G HN 0.284 nan 8.290 nan 0.000 0.543 537 R N -1.133 119.330 120.500 -0.062 0.000 2.066 537 R HA -0.096 4.244 4.340 0.000 0.000 0.232 537 R C 2.294 178.482 176.300 -0.187 0.000 1.131 537 R CA 1.357 57.468 56.100 0.018 0.000 0.955 537 R CB -0.487 29.943 30.300 0.216 0.000 0.851 537 R HN 0.539 nan 8.270 nan 0.000 0.432 538 W N 1.701 122.693 121.300 -0.515 0.000 2.335 538 W HA -0.175 4.485 4.660 0.000 0.000 0.311 538 W C 2.150 178.323 176.519 -0.577 0.000 1.213 538 W CA 1.628 58.353 57.345 -1.033 0.000 1.274 538 W CB -0.473 28.716 29.460 -0.451 0.000 1.148 538 W HN 0.090 nan 8.180 nan 0.000 0.498 539 A N 0.263 122.853 122.820 -0.383 0.000 2.024 539 A HA -0.206 4.114 4.320 0.000 0.000 0.220 539 A C 1.931 179.294 177.584 -0.370 0.000 1.164 539 A CA 2.147 53.899 52.037 -0.474 0.000 0.643 539 A CB -0.523 18.341 19.000 -0.226 0.000 0.806 539 A HN 0.468 nan 8.150 nan 0.000 0.451 540 K N -1.450 118.784 120.400 -0.278 0.000 2.370 540 K HA 0.114 4.434 4.320 0.000 0.000 0.194 540 K C 1.114 177.617 176.600 -0.161 0.000 1.070 540 K CA 0.699 56.878 56.287 -0.180 0.000 0.998 540 K CB 0.381 32.825 32.500 -0.093 0.000 0.911 540 K HN 0.510 nan 8.250 nan 0.000 0.533 541 E N 1.111 121.185 120.200 -0.211 0.000 2.489 541 E HA 0.019 4.369 4.350 0.000 0.000 0.204 541 E C -0.069 176.486 176.600 -0.074 0.000 1.006 541 E CA -0.246 56.114 56.400 -0.065 0.000 0.936 541 E CB 0.534 30.337 29.700 0.172 0.000 1.002 541 E HN 0.197 nan 8.360 nan 0.000 0.488 542 R N 1.513 121.807 120.500 -0.342 0.000 2.641 542 R HA 0.216 4.556 4.340 0.000 0.000 0.269 542 R C -0.089 176.161 176.300 -0.084 0.000 1.074 542 R CA -0.144 55.833 56.100 -0.205 0.000 1.133 542 R CB 0.770 30.799 30.300 -0.452 0.000 1.029 542 R HN -0.135 nan 8.270 nan 0.000 0.488 543 E N 0.630 120.844 120.200 0.023 0.000 2.342 543 E HA 0.252 4.602 4.350 0.000 0.000 0.257 543 E C -0.300 176.287 176.600 -0.022 0.000 1.150 543 E CA -0.699 55.707 56.400 0.010 0.000 0.926 543 E CB 0.878 30.607 29.700 0.048 0.000 1.074 543 E HN 0.725 nan 8.360 nan 0.000 0.449 544 A N 0.776 123.583 122.820 -0.022 0.000 2.537 544 A HA 0.314 4.634 4.320 0.000 0.000 0.260 544 A C 1.113 178.694 177.584 -0.004 0.000 1.082 544 A CA 0.804 52.823 52.037 -0.029 0.000 0.765 544 A CB -1.069 17.919 19.000 -0.020 0.000 1.019 544 A HN 0.799 nan 8.150 nan 0.000 0.507 545 G N 1.684 110.476 108.800 -0.012 0.000 2.168 545 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 545 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 545 G C 0.132 175.081 174.900 0.082 0.000 0.997 545 G CA 0.622 45.739 45.100 0.028 0.000 0.708 545 G HN 1.101 nan 8.290 nan 0.000 0.520 546 E N 0.581 120.846 120.200 0.108 0.000 2.259 546 E HA 0.496 4.846 4.350 0.000 0.000 0.281 546 E C 1.228 178.065 176.600 0.395 0.000 1.037 546 E CA 0.019 56.540 56.400 0.202 0.000 0.854 546 E CB 0.215 30.041 29.700 0.210 0.000 1.051 546 E HN 0.381 nan 8.360 nan 0.000 0.409 547 G N 3.154 112.126 108.800 0.287 0.000 2.572 547 G HA2 -0.039 3.921 3.960 0.000 0.000 0.261 547 G HA3 -0.039 3.921 3.960 0.000 0.000 0.261 547 G C 0.268 175.231 174.900 0.104 0.000 1.197 547 G CA -0.517 44.729 45.100 0.244 0.000 0.870 547 G HN 0.749 nan 8.290 nan 0.000 0.548 548 F N 1.460 121.033 119.950 -0.627 0.000 2.095 548 F HA -0.059 4.468 4.527 0.000 0.000 0.298 548 F C 2.460 178.049 175.800 -0.350 0.000 1.104 548 F CA 2.536 59.907 58.000 -1.048 0.000 1.232 548 F CB -0.339 37.873 39.000 -1.313 0.000 0.987 548 F HN 0.459 nan 8.300 nan 0.000 0.475 549 G N -0.124 108.611 108.800 -0.108 0.000 2.459 549 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 549 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 549 G C 1.384 176.197 174.900 -0.145 0.000 1.183 549 G CA 1.142 46.177 45.100 -0.108 0.000 0.776 549 G HN 0.341 nan 8.290 nan 0.000 0.552 550 D N -0.120 120.243 120.400 -0.061 0.000 2.149 550 D HA -0.104 4.536 4.640 0.000 0.000 0.198 550 D C 1.976 178.243 176.300 -0.056 0.000 0.990 550 D CA 0.561 54.539 54.000 -0.037 0.000 0.839 550 D CB -0.333 40.484 40.800 0.029 0.000 0.948 550 D HN 0.293 nan 8.370 nan 0.000 0.460 551 F N 1.954 121.808 119.950 -0.159 0.000 2.075 551 F HA -0.246 4.281 4.527 0.000 0.000 0.297 551 F C 2.523 178.172 175.800 -0.252 0.000 1.113 551 F CA 2.319 60.233 58.000 -0.144 0.000 1.218 551 F CB -0.851 38.125 39.000 -0.041 0.000 0.984 551 F HN -0.006 nan 8.300 nan 0.000 0.472 552 T N -1.975 112.248 114.554 -0.551 0.000 2.803 552 T HA -0.172 4.179 4.350 0.000 0.000 0.269 552 T C 1.996 176.437 174.700 -0.432 0.000 1.052 552 T CA 1.623 63.367 62.100 -0.594 0.000 1.136 552 T CB -1.317 67.213 68.868 -0.563 0.000 0.864 552 T HN 0.174 nan 8.240 nan 0.000 0.467 553 V N 1.350 121.073 119.914 -0.317 0.000 2.346 553 V HA 0.018 4.138 4.120 0.000 0.000 0.244 553 V C 2.967 178.929 176.094 -0.221 0.000 1.037 553 V CA 1.739 63.909 62.300 -0.217 0.000 1.029 553 V CB -0.665 31.071 31.823 -0.144 0.000 0.663 553 V HN 0.449 nan 8.190 nan 0.000 0.454 554 R N 0.600 120.953 120.500 -0.244 0.000 2.092 554 R HA -0.072 4.268 4.340 0.000 0.000 0.231 554 R C 1.899 178.032 176.300 -0.278 0.000 1.119 554 R CA 1.522 57.498 56.100 -0.206 0.000 0.970 554 R CB -0.331 29.885 30.300 -0.140 0.000 0.864 554 R HN 0.467 nan 8.270 nan 0.000 0.440 555 A N -0.020 122.497 122.820 -0.505 0.000 2.261 555 A HA 0.196 4.516 4.320 0.000 0.000 0.208 555 A C 1.201 178.593 177.584 -0.321 0.000 1.223 555 A CA 0.639 52.368 52.037 -0.514 0.000 0.833 555 A CB -0.464 17.919 19.000 -1.028 0.000 0.830 555 A HN 0.595 nan 8.150 nan 0.000 0.483 556 G N -0.409 108.242 108.800 -0.248 0.000 2.187 556 G HA2 -0.321 3.640 3.960 0.000 0.000 0.261 556 G HA3 -0.321 3.640 3.960 0.000 0.000 0.261 556 G C 0.760 175.580 174.900 -0.134 0.000 1.000 556 G CA 0.749 45.755 45.100 -0.156 0.000 0.718 556 G HN 0.547 nan 8.290 nan 0.000 0.519 557 I N -1.232 119.219 120.570 -0.199 0.000 2.617 557 I HA 0.245 4.415 4.170 0.000 0.000 0.256 557 I C 1.048 177.115 176.117 -0.083 0.000 1.167 557 I CA 0.761 61.975 61.300 -0.143 0.000 1.469 557 I CB 0.113 37.960 38.000 -0.254 0.000 1.098 557 I HN 0.313 nan 8.210 nan 0.000 0.436 558 I N -0.502 119.996 120.570 -0.120 0.000 2.775 558 I HA 0.289 4.459 4.170 0.000 0.000 0.295 558 I C -0.552 175.523 176.117 -0.069 0.000 1.287 558 I CA -0.507 60.758 61.300 -0.059 0.000 1.029 558 I CB 1.636 39.580 38.000 -0.093 0.000 1.282 558 I HN -0.147 nan 8.210 nan 0.000 0.426 559 R N 7.301 127.780 120.500 -0.036 0.000 2.438 559 R HA 0.414 4.754 4.340 0.000 0.000 0.287 559 R C -2.360 173.912 176.300 -0.047 0.000 1.077 559 R CA -1.374 54.701 56.100 -0.041 0.000 1.034 559 R CB 0.554 30.840 30.300 -0.023 0.000 0.993 559 R HN 0.401 nan 8.270 nan 0.000 0.459 560 P HA 0.060 nan 4.420 nan 0.000 0.274 560 P C -0.427 176.844 177.300 -0.048 0.000 1.237 560 P CA -0.293 62.774 63.100 -0.055 0.000 0.793 560 P CB 0.805 32.470 31.700 -0.059 0.000 0.977 561 V N 3.809 123.692 119.914 -0.053 0.000 2.348 561 V HA 0.095 4.215 4.120 0.000 0.000 0.270 561 V C 1.558 177.616 176.094 -0.060 0.000 1.037 561 V CA 0.029 62.295 62.300 -0.057 0.000 0.872 561 V CB 0.355 32.138 31.823 -0.066 0.000 1.002 561 V HN 0.458 nan 8.190 nan 0.000 0.464 562 L N 2.404 123.595 121.223 -0.054 0.000 2.463 562 L HA 0.384 4.724 4.340 0.000 0.000 0.219 562 L C 0.484 177.319 176.870 -0.058 0.000 1.088 562 L CA 0.513 55.322 54.840 -0.053 0.000 0.849 562 L CB 0.303 42.337 42.059 -0.041 0.000 1.012 562 L HN 0.653 nan 8.230 nan 0.000 0.468 563 D N -0.449 119.911 120.400 -0.067 0.000 2.752 563 D HA 0.110 4.750 4.640 0.000 0.000 0.242 563 D C -1.847 174.380 176.300 -0.121 0.000 1.295 563 D CA -1.426 52.525 54.000 -0.082 0.000 0.846 563 D CB 0.995 41.757 40.800 -0.063 0.000 1.454 563 D HN -0.246 nan 8.370 nan 0.000 0.535 564 P HA -0.307 nan 4.420 nan 0.000 0.222 564 P C 1.292 178.376 177.300 -0.360 0.000 1.155 564 P CA 1.892 64.888 63.100 -0.174 0.000 0.890 564 P CB 0.169 31.802 31.700 -0.113 0.000 0.790 565 A N -0.847 121.611 122.820 -0.604 0.000 2.070 565 A HA -0.151 4.170 4.320 0.000 0.000 0.220 565 A C 2.336 179.688 177.584 -0.386 0.000 1.159 565 A CA 1.602 53.022 52.037 -1.029 0.000 0.656 565 A CB -0.820 17.735 19.000 -0.741 0.000 0.800 565 A HN 0.173 nan 8.150 nan 0.000 0.453 566 R N -1.368 119.017 120.500 -0.192 0.000 2.257 566 R HA 0.046 4.386 4.340 0.000 0.000 0.195 566 R C 0.360 176.661 176.300 0.001 0.000 0.921 566 R CA 0.869 56.935 56.100 -0.057 0.000 1.069 566 R CB 0.392 30.666 30.300 -0.044 0.000 1.115 566 R HN 0.601 nan 8.270 nan 0.000 0.571 567 D N -0.183 120.206 120.400 -0.019 0.000 2.535 567 D HA -0.042 4.599 4.640 0.000 0.000 0.229 567 D C 1.226 177.528 176.300 0.003 0.000 1.238 567 D CA -0.186 53.821 54.000 0.011 0.000 0.824 567 D CB 0.183 40.978 40.800 -0.008 0.000 1.045 567 D HN 0.052 nan 8.370 nan 0.000 0.500 568 L N -0.386 120.827 121.223 -0.017 0.000 2.093 568 L HA 0.226 4.566 4.340 0.000 0.000 0.208 568 L C -0.045 176.713 176.870 -0.186 0.000 1.085 568 L CA 1.158 55.917 54.840 -0.135 0.000 0.755 568 L CB -0.239 41.688 42.059 -0.219 0.000 0.904 568 L HN -0.007 nan 8.230 nan 0.000 0.435 569 W N 0.898 122.234 121.300 0.059 0.000 2.417 569 W HA 0.346 5.007 4.660 0.000 0.000 0.317 569 W C 0.559 177.100 176.519 0.037 0.000 1.121 569 W CA -0.868 56.515 57.345 0.063 0.000 1.208 569 W CB 0.456 29.962 29.460 0.077 0.000 1.253 569 W HN -0.097 nan 8.180 nan 0.000 0.533 570 D N 0.000 120.564 120.400 0.274 0.000 6.856 570 D HA 0.000 4.640 4.640 0.000 0.000 0.175 570 D CA 0.000 54.096 54.000 0.161 0.000 0.868 570 D CB 0.000 40.863 40.800 0.104 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683