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 4aop_1_A DATA FIRST_RESID 82 DATA SEQUENCE LRCRLPGGVI TTKQWQAIDK FAGENTIYGS IRLTNRQTFQ FHGILXXXXX DATA SEQUENCE PVHQMLHSVG LDALXXXNDM NRNVLCTSNP YESQLHAEAY EWAKKISEHL DATA SEQUENCE LPXXXXXXXX XXXXXXXXXX XXXXXXXXXX LPRKFKTTVV IPPQNDIDLH DATA SEQUENCE ANDMNFVAIA ENGKLVGFNL LVGGGLSIEH GNKKTYARTA SEFGYLPLEH DATA SEQUENCE TLAVAEAVVT TQRDWGNRTD RKNAKTKYTL ERVGVETFKA EVERRAGIKF DATA SEQUENCE EPIRPYEFTG RGDRIGWVKG IDDNWHLTLF IENGRILDYP ARPLKTGLLE DATA SEQUENCE IAKIHKGDFR ITANQNLIIA GVPESEKAKI EKIAKESGLM NAVTPQRENS DATA SEQUENCE MACVSFPTCP LAMAEAERFL PSFIDNIDNL MAKHGVSDEH IVMRVTGCPN DATA SEQUENCE GCGRAMLAEV GLVGKAPGRY NLHLGGNRIG TRIPRMYKEN ITEPEILASL DATA SEQUENCE DELIGRWAKE REAGEGFGDF TVRAGIIRPV LDPARDLWD 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 82 L HA 0.000 nan 4.340 nan 0.000 0.249 82 L C 0.000 176.783 176.870 -0.144 0.000 1.165 82 L CA 0.000 54.848 54.840 0.013 0.000 0.813 82 L CB 0.000 42.159 42.059 0.167 0.000 0.961 83 R N 3.282 123.662 120.500 -0.200 0.000 2.538 83 R HA 0.546 4.886 4.340 -0.000 0.000 0.292 83 R C -1.249 174.828 176.300 -0.372 0.000 1.008 83 R CA -0.331 55.565 56.100 -0.340 0.000 0.896 83 R CB 1.900 32.054 30.300 -0.244 0.000 1.187 83 R HN 0.751 nan 8.270 nan 0.000 0.440 84 C N 3.520 122.442 119.300 -0.629 0.000 2.405 84 C HA 0.458 4.918 4.460 -0.000 0.000 0.365 84 C C 0.355 175.141 174.990 -0.340 0.000 1.233 84 C CA -0.564 58.148 59.018 -0.511 0.000 2.230 84 C CB 0.756 28.043 27.740 -0.756 0.000 2.443 84 C HN 0.891 nan 8.230 nan 0.000 0.556 85 R N 3.423 123.819 120.500 -0.172 0.000 2.298 85 R HA 0.535 4.875 4.340 -0.000 0.000 0.310 85 R C -1.308 174.960 176.300 -0.054 0.000 1.068 85 R CA -0.219 55.829 56.100 -0.086 0.000 0.957 85 R CB 0.418 30.700 30.300 -0.030 0.000 1.003 85 R HN 0.712 nan 8.270 nan 0.000 0.454 86 L N 7.748 128.955 121.223 -0.026 0.000 2.392 86 L HA 0.322 4.662 4.340 -0.000 0.000 0.262 86 L C -2.443 174.478 176.870 0.085 0.000 1.498 86 L CA -1.522 53.344 54.840 0.044 0.000 0.820 86 L CB 1.666 43.748 42.059 0.039 0.000 0.990 86 L HN 0.575 nan 8.230 nan 0.000 0.520 87 P HA 0.132 nan 4.420 nan 0.000 0.260 87 P C 0.993 178.454 177.300 0.269 0.000 1.172 87 P CA 1.558 64.740 63.100 0.137 0.000 0.760 87 P CB 0.738 32.488 31.700 0.084 0.000 0.773 88 G N 3.238 112.167 108.800 0.215 0.000 2.189 88 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.267 88 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.267 88 G C 0.908 175.890 174.900 0.136 0.000 0.975 88 G CA 0.468 45.710 45.100 0.238 0.000 0.644 88 G HN 1.044 nan 8.290 nan 0.000 0.537 89 G N -2.254 106.616 108.800 0.117 0.000 2.166 89 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.260 89 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.260 89 G C 0.466 175.418 174.900 0.086 0.000 0.986 89 G CA 0.772 45.929 45.100 0.095 0.000 0.683 89 G HN 1.685 nan 8.290 nan 0.000 0.527 90 V N 1.330 121.270 119.914 0.044 0.000 2.455 90 V HA 0.608 4.728 4.120 -0.000 0.000 0.273 90 V C 0.631 176.778 176.094 0.088 0.000 1.045 90 V CA 0.076 62.361 62.300 -0.025 0.000 0.976 90 V CB 1.490 33.123 31.823 -0.315 0.000 0.993 90 V HN 0.430 nan 8.190 nan 0.000 0.475 91 I N 4.852 125.495 120.570 0.121 0.000 2.582 91 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 91 I C 0.562 176.720 176.117 0.068 0.000 1.066 91 I CA -0.282 61.113 61.300 0.158 0.000 1.053 91 I CB 2.510 40.688 38.000 0.297 0.000 1.241 91 I HN 0.760 nan 8.210 nan 0.000 0.421 92 T N 1.453 116.027 114.554 0.033 0.000 2.828 92 T HA 0.141 4.491 4.350 -0.000 0.000 0.290 92 T C 1.301 175.922 174.700 -0.132 0.000 1.019 92 T CA 0.197 62.264 62.100 -0.056 0.000 1.031 92 T CB 1.161 70.013 68.868 -0.028 0.000 1.001 92 T HN 0.779 nan 8.240 nan 0.000 0.531 93 T N -1.322 113.082 114.554 -0.250 0.000 2.915 93 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 93 T C 1.779 176.442 174.700 -0.061 0.000 1.071 93 T CA 1.076 62.994 62.100 -0.304 0.000 1.132 93 T CB -0.352 68.332 68.868 -0.308 0.000 0.878 93 T HN 0.741 nan 8.240 nan 0.000 0.479 94 K N 1.107 121.484 120.400 -0.039 0.000 2.057 94 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 94 K C 2.584 179.197 176.600 0.021 0.000 1.050 94 K CA 1.111 57.398 56.287 -0.001 0.000 0.935 94 K CB -0.184 32.310 32.500 -0.010 0.000 0.715 94 K HN 0.406 nan 8.250 nan 0.000 0.439 95 Q N -0.501 119.314 119.800 0.025 0.000 2.124 95 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 95 Q C 1.793 177.803 176.000 0.018 0.000 0.977 95 Q CA 1.474 57.294 55.803 0.029 0.000 0.850 95 Q CB -0.246 28.525 28.738 0.055 0.000 0.901 95 Q HN 0.522 nan 8.270 nan 0.000 0.429 96 W N 1.693 122.929 121.300 -0.106 0.000 2.358 96 W HA -0.229 4.431 4.660 -0.000 0.000 0.303 96 W C 1.505 177.997 176.519 -0.044 0.000 1.208 96 W CA 1.638 58.930 57.345 -0.087 0.000 1.274 96 W CB -0.023 29.394 29.460 -0.072 0.000 1.138 96 W HN 0.275 nan 8.180 nan 0.000 0.515 97 Q N 0.020 119.892 119.800 0.119 0.000 2.124 97 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 97 Q C 2.486 178.467 176.000 -0.032 0.000 0.977 97 Q CA 1.864 57.702 55.803 0.059 0.000 0.850 97 Q CB -0.498 28.290 28.738 0.083 0.000 0.901 97 Q HN 0.251 nan 8.270 nan 0.000 0.429 98 A N 1.519 124.316 122.820 -0.038 0.000 1.873 98 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 98 A C 2.123 179.677 177.584 -0.049 0.000 1.186 98 A CA 1.442 53.463 52.037 -0.028 0.000 0.616 98 A CB -0.805 18.187 19.000 -0.013 0.000 0.823 98 A HN 0.547 nan 8.150 nan 0.000 0.442 99 I N -1.894 118.576 120.570 -0.166 0.000 2.394 99 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 99 I C 1.887 177.921 176.117 -0.138 0.000 1.136 99 I CA 2.415 63.630 61.300 -0.142 0.000 1.425 99 I CB -0.543 37.073 38.000 -0.640 0.000 1.079 99 I HN 0.299 nan 8.210 nan 0.000 0.425 100 D N 1.518 121.716 120.400 -0.337 0.000 2.117 100 D HA -0.278 4.362 4.640 -0.000 0.000 0.197 100 D C 2.276 178.524 176.300 -0.086 0.000 0.987 100 D CA 1.736 55.589 54.000 -0.245 0.000 0.829 100 D CB -0.041 40.635 40.800 -0.206 0.000 0.961 100 D HN 0.408 nan 8.370 nan 0.000 0.460 101 K N -0.885 119.482 120.400 -0.055 0.000 2.002 101 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 101 K C 2.106 178.664 176.600 -0.069 0.000 1.048 101 K CA 1.166 57.430 56.287 -0.039 0.000 0.930 101 K CB -0.492 32.001 32.500 -0.012 0.000 0.714 101 K HN 0.196 nan 8.250 nan 0.000 0.438 102 F N 1.385 121.215 119.950 -0.200 0.000 2.126 102 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 102 F C 2.023 177.561 175.800 -0.438 0.000 1.096 102 F CA 1.700 59.500 58.000 -0.333 0.000 1.255 102 F CB -0.456 38.273 39.000 -0.452 0.000 0.997 102 F HN 0.165 nan 8.300 nan 0.000 0.479 103 A N 0.204 122.906 122.820 -0.196 0.000 1.883 103 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 103 A C 2.498 179.994 177.584 -0.146 0.000 1.186 103 A CA 1.836 53.806 52.037 -0.111 0.000 0.624 103 A CB -1.807 17.318 19.000 0.208 0.000 0.822 103 A HN 0.508 nan 8.150 nan 0.000 0.444 104 G N -0.735 107.990 108.800 -0.125 0.000 2.402 104 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 104 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 104 G C 1.466 176.265 174.900 -0.169 0.000 1.162 104 G CA 1.008 46.041 45.100 -0.112 0.000 0.777 104 G HN 0.663 nan 8.290 nan 0.000 0.539 105 E N 0.108 120.161 120.200 -0.244 0.000 2.140 105 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 105 E C 1.217 177.593 176.600 -0.373 0.000 0.973 105 E CA 0.539 56.781 56.400 -0.264 0.000 0.829 105 E CB 0.114 29.681 29.700 -0.222 0.000 0.781 105 E HN 0.344 nan 8.360 nan 0.000 0.466 106 N N 0.426 118.727 118.700 -0.665 0.000 2.238 106 N HA 0.018 4.758 4.740 -0.000 0.000 0.222 106 N C -0.806 174.357 175.510 -0.578 0.000 1.133 106 N CA 0.161 52.748 53.050 -0.772 0.000 0.854 106 N CB 1.215 38.881 38.487 -1.368 0.000 1.041 106 N HN 0.057 nan 8.380 nan 0.000 0.510 107 T N -3.650 110.683 114.554 -0.369 0.000 2.906 107 T HA 0.473 4.823 4.350 -0.000 0.000 0.295 107 T C 1.038 175.699 174.700 -0.066 0.000 1.061 107 T CA -0.785 61.235 62.100 -0.132 0.000 1.000 107 T CB 1.217 70.085 68.868 0.000 0.000 1.103 107 T HN -0.138 nan 8.240 nan 0.000 0.486 108 I N -0.018 120.541 120.570 -0.018 0.000 2.252 108 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 108 I C 1.698 177.692 176.117 -0.204 0.000 1.102 108 I CA 1.443 62.654 61.300 -0.149 0.000 1.385 108 I CB -0.259 37.591 38.000 -0.250 0.000 1.064 108 I HN 0.701 nan 8.210 nan 0.000 0.414 109 Y N 0.434 120.770 120.300 0.059 0.000 2.475 109 Y HA 0.146 4.696 4.550 -0.000 0.000 0.289 109 Y C 2.035 177.959 175.900 0.041 0.000 1.121 109 Y CA 0.628 58.767 58.100 0.066 0.000 1.257 109 Y CB -0.343 38.187 38.460 0.117 0.000 1.026 109 Y HN 0.282 nan 8.280 nan 0.000 0.555 110 G N 0.599 109.491 108.800 0.153 0.000 2.166 110 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 110 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 110 G C 0.292 175.249 174.900 0.095 0.000 0.986 110 G CA 0.488 45.627 45.100 0.066 0.000 0.683 110 G HN 0.499 nan 8.290 nan 0.000 0.527 111 S N -0.998 114.812 115.700 0.183 0.000 2.718 111 S HA 0.835 5.305 4.470 -0.000 0.000 0.300 111 S C -0.141 174.577 174.600 0.197 0.000 1.117 111 S CA -1.028 57.266 58.200 0.157 0.000 1.002 111 S CB 2.480 65.781 63.200 0.168 0.000 1.092 111 S HN 0.538 nan 8.310 nan 0.000 0.542 112 I N 1.358 121.998 120.570 0.116 0.000 2.389 112 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 112 I C -0.374 175.791 176.117 0.081 0.000 0.999 112 I CA -0.625 60.700 61.300 0.041 0.000 1.129 112 I CB 1.770 39.702 38.000 -0.113 0.000 1.288 112 I HN 0.576 nan 8.210 nan 0.000 0.444 113 R N 7.564 128.108 120.500 0.074 0.000 2.288 113 R HA 0.517 4.857 4.340 -0.000 0.000 0.326 113 R C -1.434 174.914 176.300 0.080 0.000 0.959 113 R CA -0.404 55.758 56.100 0.102 0.000 0.834 113 R CB 0.505 30.913 30.300 0.179 0.000 1.157 113 R HN 0.563 nan 8.270 nan 0.000 0.470 114 L N 3.999 125.278 121.223 0.092 0.000 2.367 114 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 114 L C 0.862 177.757 176.870 0.042 0.000 1.129 114 L CA -0.399 54.496 54.840 0.093 0.000 0.839 114 L CB 1.067 43.178 42.059 0.086 0.000 1.133 114 L HN 0.784 nan 8.230 nan 0.000 0.453 115 T N -1.519 113.045 114.554 0.018 0.000 2.936 115 T HA 0.191 4.541 4.350 -0.000 0.000 0.282 115 T C 0.782 175.477 174.700 -0.009 0.000 1.003 115 T CA -0.832 61.263 62.100 -0.008 0.000 1.005 115 T CB 1.184 70.026 68.868 -0.044 0.000 1.097 115 T HN 0.648 nan 8.240 nan 0.000 0.532 116 N N -0.006 118.685 118.700 -0.015 0.000 2.449 116 N HA 0.008 4.748 4.740 -0.000 0.000 0.191 116 N C 0.794 176.289 175.510 -0.024 0.000 1.161 116 N CA -0.057 52.983 53.050 -0.017 0.000 0.863 116 N CB -0.235 38.242 38.487 -0.016 0.000 0.980 116 N HN 0.606 nan 8.380 nan 0.000 0.458 117 R N 0.323 120.805 120.500 -0.029 0.000 2.633 117 R HA 0.193 4.533 4.340 -0.000 0.000 0.348 117 R C -0.394 175.894 176.300 -0.021 0.000 1.100 117 R CA -0.174 55.907 56.100 -0.032 0.000 1.068 117 R CB -0.033 30.240 30.300 -0.045 0.000 1.351 117 R HN 0.281 nan 8.270 nan 0.000 0.575 118 Q N -0.263 119.533 119.800 -0.006 0.000 2.478 118 Q HA -0.211 4.129 4.340 -0.000 0.000 0.286 118 Q C -0.165 175.848 176.000 0.021 0.000 1.299 118 Q CA 1.280 57.094 55.803 0.018 0.000 0.826 118 Q CB -1.348 27.409 28.738 0.032 0.000 1.199 118 Q HN 0.341 nan 8.270 nan 0.000 0.451 119 T N -1.427 113.118 114.554 -0.015 0.000 2.654 119 T HA 0.820 5.170 4.350 -0.000 0.000 0.289 119 T C -1.654 173.007 174.700 -0.064 0.000 1.062 119 T CA -0.443 61.604 62.100 -0.089 0.000 1.041 119 T CB 1.197 69.915 68.868 -0.250 0.000 1.417 119 T HN 0.305 nan 8.240 nan 0.000 0.510 120 F N -0.122 119.751 119.950 -0.129 0.000 2.620 120 F HA 0.891 5.418 4.527 -0.000 0.000 0.320 120 F C -0.699 174.894 175.800 -0.346 0.000 1.069 120 F CA -1.021 56.851 58.000 -0.213 0.000 0.953 120 F CB 1.380 40.221 39.000 -0.264 0.000 1.322 120 F HN 0.491 nan 8.300 nan 0.000 0.479 121 Q N 0.764 120.450 119.800 -0.191 0.000 2.421 121 Q HA 0.530 4.870 4.340 -0.000 0.000 0.280 121 Q C -1.973 173.790 176.000 -0.396 0.000 1.085 121 Q CA -0.841 54.738 55.803 -0.375 0.000 0.807 121 Q CB 3.183 31.683 28.738 -0.397 0.000 1.405 121 Q HN 0.592 nan 8.270 nan 0.000 0.419 122 F N 0.388 120.269 119.950 -0.116 0.000 2.458 122 F HA 0.433 4.960 4.527 -0.000 0.000 0.330 122 F C -0.176 175.518 175.800 -0.176 0.000 1.082 122 F CA -0.475 57.512 58.000 -0.021 0.000 0.995 122 F CB 1.348 40.446 39.000 0.164 0.000 1.170 122 F HN 0.449 nan 8.300 nan 0.000 0.478 123 H N -0.461 118.821 119.070 0.353 0.000 2.658 123 H HA 0.522 5.078 4.556 0.000 0.000 0.337 123 H C 0.231 175.804 175.328 0.407 0.000 1.009 123 H CA -0.460 55.742 56.048 0.257 0.000 1.231 123 H CB 1.665 31.429 29.762 0.004 0.000 1.508 123 H HN 0.823 nan 8.280 nan 0.000 0.517 124 G N 3.645 112.714 108.800 0.449 0.000 2.401 124 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.283 124 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.283 124 G C -0.227 174.789 174.900 0.194 0.000 1.117 124 G CA -0.498 44.799 45.100 0.327 0.000 1.051 124 G HN 0.590 nan 8.290 nan 0.000 0.510 125 I N 0.821 121.506 120.570 0.192 0.000 2.452 125 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 125 I C 1.526 177.695 176.117 0.087 0.000 1.079 125 I CA -0.407 60.982 61.300 0.149 0.000 1.387 125 I CB 0.452 38.589 38.000 0.229 0.000 1.404 125 I HN 0.175 nan 8.210 nan 0.000 0.522 133 V N -0.680 119.197 119.914 -0.061 0.000 2.379 133 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 133 V C 2.171 178.132 176.094 -0.221 0.000 1.044 133 V CA 1.919 63.940 62.300 -0.466 0.000 1.036 133 V CB -1.029 30.434 31.823 -0.600 0.000 0.664 133 V HN 0.487 nan 8.190 nan 0.000 0.453 134 H N 0.456 119.484 119.070 -0.071 0.000 2.457 134 H HA -0.144 4.412 4.556 -0.000 0.000 0.297 134 H C 2.465 177.809 175.328 0.026 0.000 1.092 134 H CA 1.874 57.914 56.048 -0.013 0.000 1.309 134 H CB 0.113 29.869 29.762 -0.010 0.000 1.382 134 H HN 0.583 nan 8.280 nan 0.000 0.535 135 Q N -0.659 119.217 119.800 0.127 0.000 2.049 135 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 135 Q C 2.524 178.597 176.000 0.122 0.000 0.971 135 Q CA 0.824 56.697 55.803 0.116 0.000 0.833 135 Q CB 0.008 28.794 28.738 0.080 0.000 0.896 135 Q HN 0.273 nan 8.270 nan 0.000 0.434 136 M N 0.858 120.489 119.600 0.052 0.000 2.117 136 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 136 M C 1.871 178.183 176.300 0.020 0.000 1.065 136 M CA 1.597 56.912 55.300 0.024 0.000 1.114 136 M CB -0.476 32.108 32.600 -0.026 0.000 1.361 136 M HN 0.250 nan 8.290 nan 0.000 0.408 137 L N -0.801 120.422 121.223 -0.001 0.000 1.976 137 L HA -0.268 4.072 4.340 -0.000 0.000 0.209 137 L C 2.879 179.793 176.870 0.074 0.000 1.071 137 L CA 1.779 56.633 54.840 0.025 0.000 0.746 137 L CB -1.436 40.601 42.059 -0.036 0.000 0.890 137 L HN 0.463 nan 8.230 nan 0.000 0.432 138 H N 0.464 119.564 119.070 0.051 0.000 2.390 138 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 138 H C 2.299 177.652 175.328 0.041 0.000 1.106 138 H CA 1.956 58.043 56.048 0.064 0.000 1.297 138 H CB 0.158 29.970 29.762 0.083 0.000 1.375 138 H HN 0.433 nan 8.280 nan 0.000 0.509 139 S N 0.506 116.230 115.700 0.041 0.000 2.419 139 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 139 S C 2.006 176.565 174.600 -0.068 0.000 1.016 139 S CA 1.313 59.505 58.200 -0.012 0.000 0.974 139 S CB -0.849 62.390 63.200 0.065 0.000 0.786 139 S HN 0.350 nan 8.310 nan 0.000 0.492 140 V N -2.490 117.396 119.914 -0.046 0.000 3.444 140 V HA 0.710 4.830 4.120 -0.000 0.000 0.308 140 V C 1.201 177.270 176.094 -0.042 0.000 1.371 140 V CA -0.198 62.082 62.300 -0.033 0.000 1.141 140 V CB -0.919 30.902 31.823 -0.003 0.000 1.037 140 V HN 0.787 nan 8.190 nan 0.000 0.433 141 G N 0.663 109.405 108.800 -0.095 0.000 2.204 141 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.244 141 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.244 141 G C -0.640 174.254 174.900 -0.011 0.000 1.062 141 G CA 0.377 45.430 45.100 -0.078 0.000 0.798 141 G HN 0.469 nan 8.290 nan 0.000 0.496 142 L N 0.424 121.655 121.223 0.013 0.000 2.309 142 L HA 0.890 5.230 4.340 -0.000 0.000 0.261 142 L C -0.595 176.320 176.870 0.075 0.000 1.021 142 L CA -0.916 53.958 54.840 0.056 0.000 0.823 142 L CB 2.186 44.298 42.059 0.088 0.000 1.366 142 L HN 0.451 nan 8.230 nan 0.000 0.423 143 D N 0.214 120.649 120.400 0.058 0.000 2.977 143 D HA 0.594 5.234 4.640 -0.000 0.000 0.220 143 D C -1.018 175.287 176.300 0.007 0.000 1.267 143 D CA -0.478 53.581 54.000 0.099 0.000 0.884 143 D CB 1.323 42.222 40.800 0.165 0.000 1.667 143 D HN 0.674 nan 8.370 nan 0.000 0.536 144 A N 2.752 125.513 122.820 -0.097 0.000 2.409 144 A HA 0.475 4.795 4.320 -0.000 0.000 0.262 144 A C 0.533 178.151 177.584 0.057 0.000 1.113 144 A CA -0.624 51.333 52.037 -0.134 0.000 0.790 144 A CB 0.109 18.922 19.000 -0.312 0.000 1.046 144 A HN 0.670 nan 8.150 nan 0.000 0.496 150 D N 2.467 122.869 120.400 0.005 0.000 2.356 150 D HA 0.036 4.676 4.640 -0.000 0.000 0.272 150 D C 0.737 177.047 176.300 0.017 0.000 1.337 150 D CA 0.079 54.082 54.000 0.006 0.000 0.970 150 D CB 0.408 41.211 40.800 0.005 0.000 1.092 150 D HN 0.125 nan 8.370 nan 0.000 0.516 151 M N 2.941 122.555 119.600 0.024 0.000 2.915 151 M HA 0.084 4.564 4.480 -0.000 0.000 0.206 151 M C 0.065 176.412 176.300 0.078 0.000 1.271 151 M CA 0.066 55.395 55.300 0.048 0.000 1.122 151 M CB -1.349 31.284 32.600 0.055 0.000 1.655 151 M HN 0.257 nan 8.290 nan 0.000 0.434 152 N N 0.833 119.568 118.700 0.059 0.000 2.258 152 N HA 0.423 5.163 4.740 -0.000 0.000 0.299 152 N C -0.750 174.787 175.510 0.044 0.000 1.047 152 N CA -0.314 52.784 53.050 0.080 0.000 0.814 152 N CB 2.234 40.762 38.487 0.069 0.000 1.413 152 N HN 0.108 nan 8.380 nan 0.000 0.478 153 R N 1.061 121.586 120.500 0.042 0.000 2.810 153 R HA 0.357 4.697 4.340 -0.000 0.000 0.245 153 R C -0.199 176.102 176.300 0.003 0.000 1.168 153 R CA -0.819 55.283 56.100 0.004 0.000 1.096 153 R CB -0.023 30.269 30.300 -0.014 0.000 1.259 153 R HN 0.579 nan 8.270 nan 0.000 0.518 154 N N -0.144 118.544 118.700 -0.021 0.000 2.454 154 N HA -0.010 4.730 4.740 -0.000 0.000 0.260 154 N C -0.850 174.663 175.510 0.006 0.000 1.218 154 N CA 0.201 53.242 53.050 -0.015 0.000 0.904 154 N CB 0.577 39.041 38.487 -0.038 0.000 1.065 154 N HN 0.157 nan 8.380 nan 0.000 0.462 155 V N 5.163 125.093 119.914 0.027 0.000 2.455 155 V HA 0.160 4.280 4.120 -0.000 0.000 0.273 155 V C 0.576 176.697 176.094 0.045 0.000 1.045 155 V CA -0.417 61.907 62.300 0.040 0.000 0.976 155 V CB 0.094 31.950 31.823 0.054 0.000 0.993 155 V HN 0.460 nan 8.190 nan 0.000 0.475 156 L N 4.412 125.654 121.223 0.032 0.000 2.421 156 L HA 0.631 4.971 4.340 -0.000 0.000 0.263 156 L C -0.025 176.885 176.870 0.067 0.000 1.122 156 L CA -0.259 54.605 54.840 0.040 0.000 0.804 156 L CB 1.275 43.338 42.059 0.006 0.000 1.150 156 L HN 0.687 nan 8.230 nan 0.000 0.457 157 C N 0.482 119.837 119.300 0.092 0.000 2.752 157 C HA 0.345 4.805 4.460 -0.000 0.000 0.360 157 C C 0.311 175.377 174.990 0.128 0.000 1.081 157 C CA -0.404 58.686 59.018 0.120 0.000 1.272 157 C CB 1.302 29.142 27.740 0.168 0.000 1.754 157 C HN 0.891 nan 8.230 nan 0.000 0.483 158 T N 5.022 119.650 114.554 0.123 0.000 2.765 158 T HA 0.006 4.356 4.350 -0.000 0.000 0.275 158 T C 1.332 176.130 174.700 0.164 0.000 1.007 158 T CA 0.842 63.011 62.100 0.114 0.000 1.175 158 T CB 0.650 69.597 68.868 0.131 0.000 0.993 158 T HN 0.855 nan 8.240 nan 0.000 0.510 159 S N 2.653 118.389 115.700 0.061 0.000 2.425 159 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 159 S C 1.235 175.714 174.600 -0.201 0.000 1.024 159 S CA 0.244 58.429 58.200 -0.025 0.000 0.951 159 S CB 0.026 63.183 63.200 -0.071 0.000 0.796 159 S HN 0.690 nan 8.310 nan 0.000 0.498 160 N N 1.288 119.897 118.700 -0.153 0.000 2.711 160 N HA 0.262 5.002 4.740 -0.000 0.000 0.263 160 N C -3.196 172.199 175.510 -0.192 0.000 1.667 160 N CA -1.772 51.148 53.050 -0.217 0.000 0.785 160 N CB 0.899 39.262 38.487 -0.206 0.000 1.231 160 N HN 0.070 nan 8.380 nan 0.000 0.503 161 P HA 0.004 nan 4.420 nan 0.000 0.266 161 P C 0.591 177.849 177.300 -0.070 0.000 1.195 161 P CA -0.031 63.041 63.100 -0.047 0.000 0.768 161 P CB 0.911 32.673 31.700 0.104 0.000 0.838 162 Y N 0.556 120.909 120.300 0.089 0.000 2.224 162 Y HA -0.144 4.406 4.550 -0.000 0.000 0.289 162 Y C 1.810 177.748 175.900 0.063 0.000 1.146 162 Y CA 1.415 59.558 58.100 0.071 0.000 1.182 162 Y CB -0.380 38.121 38.460 0.069 0.000 0.983 162 Y HN 0.416 nan 8.280 nan 0.000 0.524 163 E N 0.311 120.638 120.200 0.213 0.000 1.932 163 E HA 0.150 4.500 4.350 -0.000 0.000 0.259 163 E C 0.872 177.547 176.600 0.124 0.000 1.099 163 E CA 0.035 56.522 56.400 0.144 0.000 0.970 163 E CB 0.258 30.036 29.700 0.131 0.000 1.143 163 E HN 0.139 nan 8.360 nan 0.000 0.441 164 S N 3.219 118.984 115.700 0.109 0.000 2.389 164 S HA -0.294 4.176 4.470 -0.000 0.000 0.231 164 S C 1.812 176.494 174.600 0.136 0.000 1.052 164 S CA 1.800 60.070 58.200 0.117 0.000 1.053 164 S CB -0.185 63.076 63.200 0.102 0.000 0.886 164 S HN 0.768 nan 8.310 nan 0.000 0.456 165 Q N 0.902 120.769 119.800 0.110 0.000 2.364 165 Q HA 0.010 4.350 4.340 -0.000 0.000 0.207 165 Q C 1.857 177.933 176.000 0.127 0.000 0.970 165 Q CA 1.019 56.887 55.803 0.109 0.000 0.888 165 Q CB -0.601 28.184 28.738 0.077 0.000 0.951 165 Q HN 0.499 nan 8.270 nan 0.000 0.469 166 L N 0.360 121.665 121.223 0.136 0.000 2.291 166 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 166 L C 2.789 179.760 176.870 0.167 0.000 1.120 166 L CA 0.906 55.829 54.840 0.138 0.000 0.799 166 L CB -0.693 41.446 42.059 0.133 0.000 0.925 166 L HN 0.400 nan 8.230 nan 0.000 0.446 167 H N 0.644 119.777 119.070 0.105 0.000 2.319 167 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 167 H C 2.095 177.523 175.328 0.167 0.000 1.092 167 H CA 1.777 57.893 56.048 0.114 0.000 1.302 167 H CB 0.360 30.151 29.762 0.050 0.000 1.373 167 H HN 0.346 nan 8.280 nan 0.000 0.497 168 A N 1.090 124.006 122.820 0.160 0.000 1.892 168 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 168 A C 2.380 180.019 177.584 0.092 0.000 1.188 168 A CA 1.981 54.106 52.037 0.145 0.000 0.631 168 A CB -0.532 18.557 19.000 0.148 0.000 0.822 168 A HN 0.642 nan 8.150 nan 0.000 0.447 169 E N -0.577 119.683 120.200 0.099 0.000 2.046 169 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 169 E C 2.406 179.137 176.600 0.219 0.000 0.982 169 E CA 0.835 57.317 56.400 0.136 0.000 0.800 169 E CB -0.299 29.500 29.700 0.165 0.000 0.756 169 E HN 0.605 nan 8.360 nan 0.000 0.449 170 A N 1.013 123.947 122.820 0.190 0.000 1.902 170 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 170 A C 2.072 179.747 177.584 0.151 0.000 1.181 170 A CA 1.460 53.643 52.037 0.243 0.000 0.623 170 A CB -0.760 18.349 19.000 0.182 0.000 0.818 170 A HN 0.399 nan 8.150 nan 0.000 0.443 171 Y N 0.696 120.903 120.300 -0.155 0.000 2.181 171 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 171 Y C 2.277 178.125 175.900 -0.086 0.000 1.146 171 Y CA 1.963 59.944 58.100 -0.199 0.000 1.164 171 Y CB -0.490 37.735 38.460 -0.391 0.000 0.982 171 Y HN 0.544 nan 8.280 nan 0.000 0.515 172 E N -0.870 119.136 120.200 -0.324 0.000 2.085 172 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 172 E C 1.960 178.279 176.600 -0.469 0.000 0.994 172 E CA 1.854 57.973 56.400 -0.468 0.000 0.801 172 E CB -0.656 28.819 29.700 -0.374 0.000 0.743 172 E HN 0.647 nan 8.360 nan 0.000 0.453 173 W N 0.412 121.627 121.300 -0.141 0.000 2.388 173 W HA -0.014 4.646 4.660 -0.000 0.000 0.294 173 W C 2.567 178.980 176.519 -0.177 0.000 1.212 173 W CA 0.988 58.265 57.345 -0.114 0.000 1.271 173 W CB -0.152 29.334 29.460 0.043 0.000 1.126 173 W HN 0.193 nan 8.180 nan 0.000 0.535 174 A N 0.183 123.024 122.820 0.035 0.000 1.902 174 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 174 A C 1.923 179.462 177.584 -0.076 0.000 1.181 174 A CA 1.809 53.842 52.037 -0.005 0.000 0.623 174 A CB -0.696 18.333 19.000 0.049 0.000 0.818 174 A HN 0.273 nan 8.150 nan 0.000 0.443 175 K N -0.149 120.113 120.400 -0.230 0.000 2.057 175 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 175 K C 2.015 178.517 176.600 -0.164 0.000 1.049 175 K CA 1.524 57.667 56.287 -0.241 0.000 0.931 175 K CB -0.130 32.101 32.500 -0.449 0.000 0.714 175 K HN 0.430 nan 8.250 nan 0.000 0.440 176 K N 0.357 120.634 120.400 -0.204 0.000 2.057 176 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 176 K C 2.128 178.716 176.600 -0.020 0.000 1.050 176 K CA 1.303 57.493 56.287 -0.163 0.000 0.935 176 K CB -0.125 32.173 32.500 -0.337 0.000 0.715 176 K HN 0.178 nan 8.250 nan 0.000 0.439 177 I N 0.702 121.280 120.570 0.013 0.000 2.226 177 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 177 I C 2.702 178.875 176.117 0.094 0.000 1.100 177 I CA 0.916 62.255 61.300 0.066 0.000 1.374 177 I CB -0.329 37.671 38.000 0.001 0.000 1.057 177 I HN 0.145 nan 8.210 nan 0.000 0.413 178 S N 0.613 116.338 115.700 0.042 0.000 2.353 178 S HA -0.248 4.222 4.470 -0.000 0.000 0.222 178 S C 1.944 176.563 174.600 0.031 0.000 1.035 178 S CA 1.834 60.056 58.200 0.036 0.000 1.025 178 S CB -0.229 62.979 63.200 0.013 0.000 0.902 178 S HN 0.437 nan 8.310 nan 0.000 0.440 179 E N -0.813 119.398 120.200 0.018 0.000 2.106 179 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 179 E C 2.019 178.645 176.600 0.045 0.000 0.984 179 E CA 1.268 57.677 56.400 0.015 0.000 0.806 179 E CB -0.258 29.436 29.700 -0.010 0.000 0.750 179 E HN 0.731 nan 8.360 nan 0.000 0.458 180 H N 0.550 119.605 119.070 -0.025 0.000 2.421 180 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 180 H C 1.678 177.000 175.328 -0.010 0.000 1.087 180 H CA 1.273 57.312 56.048 -0.015 0.000 1.330 180 H CB 0.049 29.809 29.762 -0.003 0.000 1.388 180 H HN 0.061 nan 8.280 nan 0.000 0.526 181 L N -0.246 120.942 121.223 -0.057 0.000 2.529 181 L HA 0.093 4.433 4.340 -0.000 0.000 0.223 181 L C 0.295 177.113 176.870 -0.088 0.000 1.113 181 L CA -0.432 54.339 54.840 -0.115 0.000 0.861 181 L CB 0.035 42.095 42.059 0.001 0.000 1.012 181 L HN 0.154 nan 8.230 nan 0.000 0.461 182 L N 2.397 123.588 121.223 -0.052 0.000 2.525 182 L HA 0.108 4.447 4.340 -0.000 0.000 0.278 182 L C -1.214 175.623 176.870 -0.056 0.000 1.218 182 L CA -1.077 53.741 54.840 -0.036 0.000 0.878 182 L CB -0.261 41.787 42.059 -0.018 0.000 1.127 182 L HN -0.069 nan 8.230 nan 0.000 0.492 213 P HA -0.027 nan 4.420 nan 0.000 0.211 213 P C -0.025 177.322 177.300 0.080 0.000 1.179 213 P CA 0.992 64.139 63.100 0.078 0.000 0.910 213 P CB 0.181 31.946 31.700 0.108 0.000 0.785 214 R N -0.620 119.946 120.500 0.109 0.000 2.893 214 R HA 0.343 4.683 4.340 -0.000 0.000 0.245 214 R C -0.291 176.080 176.300 0.118 0.000 1.192 214 R CA -0.922 55.238 56.100 0.101 0.000 1.077 214 R CB 0.531 30.898 30.300 0.112 0.000 1.253 214 R HN -0.044 nan 8.270 nan 0.000 0.505 215 K N 0.462 120.917 120.400 0.092 0.000 2.295 215 K HA 0.204 4.524 4.320 -0.000 0.000 0.270 215 K C -0.939 175.752 176.600 0.151 0.000 1.011 215 K CA -0.035 56.313 56.287 0.102 0.000 0.953 215 K CB 0.586 33.116 32.500 0.050 0.000 0.956 215 K HN 0.266 nan 8.250 nan 0.000 0.477 216 F N 1.759 121.705 119.950 -0.007 0.000 2.444 216 F HA 0.351 4.878 4.527 -0.000 0.000 0.342 216 F C -0.563 175.224 175.800 -0.021 0.000 1.121 216 F CA -0.614 57.378 58.000 -0.013 0.000 0.997 216 F CB 1.660 40.659 39.000 -0.002 0.000 1.130 216 F HN 0.458 nan 8.300 nan 0.000 0.454 217 K N 3.793 123.992 120.400 -0.336 0.000 2.292 217 K HA 0.627 4.947 4.320 -0.000 0.000 0.257 217 K C -1.000 175.437 176.600 -0.271 0.000 0.940 217 K CA -0.753 55.408 56.287 -0.209 0.000 0.811 217 K CB 2.104 34.491 32.500 -0.187 0.000 1.120 217 K HN 0.543 nan 8.250 nan 0.000 0.428 218 T N 0.894 115.391 114.554 -0.095 0.000 2.900 218 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 218 T C -0.611 174.078 174.700 -0.019 0.000 1.044 218 T CA -0.844 61.229 62.100 -0.044 0.000 0.995 218 T CB 1.838 70.781 68.868 0.124 0.000 1.072 218 T HN 0.753 nan 8.240 nan 0.000 0.473 219 T N -1.575 112.967 114.554 -0.020 0.000 2.864 219 T HA 0.754 5.104 4.350 -0.000 0.000 0.299 219 T C -1.365 173.360 174.700 0.042 0.000 1.166 219 T CA -0.732 61.366 62.100 -0.003 0.000 1.007 219 T CB 1.381 70.216 68.868 -0.055 0.000 1.219 219 T HN 0.364 nan 8.240 nan 0.000 0.506 220 V N 1.895 121.838 119.914 0.048 0.000 2.444 220 V HA 0.619 4.739 4.120 -0.000 0.000 0.294 220 V C -0.409 175.745 176.094 0.100 0.000 1.022 220 V CA -0.694 61.642 62.300 0.061 0.000 0.850 220 V CB 1.422 33.288 31.823 0.070 0.000 0.992 220 V HN 0.936 nan 8.190 nan 0.000 0.426 221 V N 5.653 125.645 119.914 0.131 0.000 2.581 221 V HA 0.574 4.694 4.120 -0.000 0.000 0.303 221 V C -0.251 175.989 176.094 0.243 0.000 1.041 221 V CA -0.637 61.764 62.300 0.167 0.000 0.907 221 V CB 2.143 34.074 31.823 0.180 0.000 0.994 221 V HN 0.694 nan 8.190 nan 0.000 0.442 222 I N 4.977 125.695 120.570 0.246 0.000 2.428 222 I HA 0.358 4.528 4.170 -0.000 0.000 0.279 222 I C -2.475 173.825 176.117 0.304 0.000 1.040 222 I CA -1.873 59.576 61.300 0.247 0.000 1.171 222 I CB 1.744 39.867 38.000 0.205 0.000 1.312 222 I HN 0.399 nan 8.210 nan 0.000 0.470 223 P HA 0.014 nan 4.420 nan 0.000 0.269 223 P C -1.962 175.507 177.300 0.282 0.000 1.211 223 P CA -0.688 62.600 63.100 0.312 0.000 0.781 223 P CB 0.051 31.806 31.700 0.092 0.000 0.877 224 P HA 0.069 nan 4.420 nan 0.000 0.256 224 P C -0.398 177.234 177.300 0.553 0.000 1.384 224 P CA 0.436 63.750 63.100 0.357 0.000 0.879 224 P CB 0.451 32.290 31.700 0.231 0.000 1.403 225 Q N 0.740 120.835 119.800 0.491 0.000 2.257 225 Q HA 0.289 4.629 4.340 -0.000 0.000 0.255 225 Q C 0.091 176.191 176.000 0.167 0.000 0.920 225 Q CA -0.335 55.660 55.803 0.320 0.000 0.927 225 Q CB 0.885 29.719 28.738 0.160 0.000 1.229 225 Q HN -0.147 nan 8.270 nan 0.000 0.433 226 N N 1.798 120.444 118.700 -0.090 0.000 2.467 226 N HA -0.030 4.710 4.740 -0.000 0.000 0.278 226 N C 0.030 175.428 175.510 -0.187 0.000 1.306 226 N CA -0.075 52.724 53.050 -0.417 0.000 0.905 226 N CB 0.441 38.412 38.487 -0.860 0.000 1.236 226 N HN 0.571 nan 8.380 nan 0.000 0.509 227 D N -0.009 120.345 120.400 -0.078 0.000 2.221 227 D HA -0.202 4.438 4.640 -0.000 0.000 0.204 227 D C 1.562 177.826 176.300 -0.059 0.000 0.982 227 D CA 0.848 54.819 54.000 -0.049 0.000 0.857 227 D CB -0.283 40.500 40.800 -0.028 0.000 0.934 227 D HN 0.564 nan 8.370 nan 0.000 0.475 228 I N -2.586 117.941 120.570 -0.073 0.000 3.291 228 I HA 0.107 4.277 4.170 -0.000 0.000 0.279 228 I C -0.218 175.839 176.117 -0.100 0.000 1.294 228 I CA -0.164 61.095 61.300 -0.068 0.000 1.428 228 I CB -0.729 37.242 38.000 -0.048 0.000 1.070 228 I HN -0.310 nan 8.210 nan 0.000 0.478 229 D N 1.324 121.645 120.400 -0.132 0.000 2.812 229 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 229 D C 1.086 177.288 176.300 -0.163 0.000 1.162 229 D CA 1.025 54.948 54.000 -0.130 0.000 0.740 229 D CB -0.612 40.143 40.800 -0.076 0.000 1.000 229 D HN 0.615 nan 8.370 nan 0.000 0.416 230 L N -0.664 120.404 121.223 -0.258 0.000 2.129 230 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 230 L C 1.998 178.647 176.870 -0.368 0.000 1.087 230 L CA 1.581 56.227 54.840 -0.324 0.000 0.757 230 L CB -0.602 41.223 42.059 -0.390 0.000 0.896 230 L HN 0.279 nan 8.230 nan 0.000 0.434 231 H N 0.315 119.318 119.070 -0.112 0.000 2.567 231 H HA 0.214 4.770 4.556 -0.000 0.000 0.276 231 H C 1.919 177.180 175.328 -0.111 0.000 1.016 231 H CA 0.883 56.873 56.048 -0.097 0.000 1.186 231 H CB 0.068 29.791 29.762 -0.066 0.000 1.351 231 H HN 0.627 nan 8.280 nan 0.000 0.605 232 A N 0.292 123.074 122.820 -0.063 0.000 2.345 232 A HA 0.070 4.390 4.320 -0.000 0.000 0.225 232 A C 0.625 178.128 177.584 -0.136 0.000 1.243 232 A CA -0.283 51.705 52.037 -0.082 0.000 0.875 232 A CB 0.167 19.122 19.000 -0.075 0.000 0.929 232 A HN 0.208 nan 8.150 nan 0.000 0.502 233 N N -0.368 118.223 118.700 -0.182 0.000 2.292 233 N HA 0.152 4.892 4.740 -0.000 0.000 0.303 233 N C -0.688 174.619 175.510 -0.337 0.000 1.140 233 N CA -0.585 52.314 53.050 -0.252 0.000 0.788 233 N CB 1.511 39.852 38.487 -0.244 0.000 1.361 233 N HN 0.075 nan 8.380 nan 0.000 0.489 234 D N 0.662 120.769 120.400 -0.488 0.000 2.117 234 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 234 D C 0.388 176.325 176.300 -0.605 0.000 0.982 234 D CA 1.474 55.076 54.000 -0.663 0.000 0.828 234 D CB 0.614 40.607 40.800 -1.345 0.000 0.967 234 D HN 0.409 nan 8.370 nan 0.000 0.464 235 M N 0.697 119.959 119.600 -0.562 0.000 2.267 235 M HA 0.243 4.723 4.480 -0.000 0.000 0.289 235 M C -2.014 174.031 176.300 -0.425 0.000 1.043 235 M CA -0.506 54.530 55.300 -0.441 0.000 0.928 235 M CB 2.217 34.708 32.600 -0.181 0.000 1.613 235 M HN -0.299 nan 8.290 nan 0.000 0.450 236 N N 4.492 122.856 118.700 -0.559 0.000 2.295 236 N HA 0.465 5.205 4.740 -0.000 0.000 0.293 236 N C -1.996 173.139 175.510 -0.625 0.000 1.040 236 N CA -0.323 52.459 53.050 -0.447 0.000 0.840 236 N CB 1.892 40.179 38.487 -0.333 0.000 1.468 236 N HN 0.506 nan 8.380 nan 0.000 0.478 237 F N 1.016 120.797 119.950 -0.281 0.000 2.347 237 F HA 0.288 4.815 4.527 -0.000 0.000 0.366 237 F C 0.396 176.091 175.800 -0.176 0.000 1.107 237 F CA -0.795 56.963 58.000 -0.403 0.000 1.058 237 F CB 1.214 39.610 39.000 -1.007 0.000 1.236 237 F HN 0.054 nan 8.300 nan 0.000 0.456 238 V N 4.224 124.199 119.914 0.102 0.000 2.389 238 V HA 0.437 4.557 4.120 -0.000 0.000 0.264 238 V C 0.580 176.881 176.094 0.344 0.000 1.049 238 V CA -0.915 61.464 62.300 0.131 0.000 0.932 238 V CB 0.531 32.240 31.823 -0.190 0.000 1.011 238 V HN 0.831 nan 8.190 nan 0.000 0.475 239 A N 7.420 130.486 122.820 0.410 0.000 2.520 239 A HA 0.464 4.784 4.320 -0.000 0.000 0.245 239 A C -0.184 177.463 177.584 0.105 0.000 1.072 239 A CA 0.111 52.308 52.037 0.266 0.000 0.761 239 A CB -0.125 19.021 19.000 0.243 0.000 1.004 239 A HN 0.615 nan 8.150 nan 0.000 0.499 240 I N 1.828 122.402 120.570 0.007 0.000 2.418 240 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 240 I C 0.432 176.543 176.117 -0.011 0.000 1.008 240 I CA -0.167 61.161 61.300 0.045 0.000 1.104 240 I CB 0.985 39.072 38.000 0.144 0.000 1.264 240 I HN 0.735 nan 8.210 nan 0.000 0.438 241 A N 6.087 128.913 122.820 0.010 0.000 2.355 241 A HA 0.846 5.166 4.320 -0.000 0.000 0.324 241 A C -0.584 177.002 177.584 0.004 0.000 1.117 241 A CA -0.537 51.501 52.037 0.002 0.000 0.785 241 A CB 1.682 20.697 19.000 0.026 0.000 1.254 241 A HN 0.711 nan 8.150 nan 0.000 0.453 242 E N 0.691 120.890 120.200 -0.000 0.000 2.260 242 E HA 0.346 4.696 4.350 -0.000 0.000 0.266 242 E C -1.079 175.525 176.600 0.005 0.000 0.887 242 E CA -0.699 55.701 56.400 -0.001 0.000 0.777 242 E CB 1.240 30.933 29.700 -0.011 0.000 1.205 242 E HN 0.792 nan 8.360 nan 0.000 0.414 243 N N 1.969 120.675 118.700 0.009 0.000 2.740 243 N HA -0.266 4.474 4.740 -0.000 0.000 0.248 243 N C 0.620 176.142 175.510 0.019 0.000 1.062 243 N CA 0.291 53.349 53.050 0.012 0.000 0.704 243 N CB -0.755 37.737 38.487 0.008 0.000 0.968 243 N HN 0.960 nan 8.380 nan 0.000 0.547 244 G N -0.143 108.673 108.800 0.026 0.000 2.168 244 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.263 244 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.263 244 G C -0.033 174.888 174.900 0.036 0.000 0.977 244 G CA 1.056 46.177 45.100 0.036 0.000 0.659 244 G HN 0.739 nan 8.290 nan 0.000 0.533 245 K N -0.077 120.338 120.400 0.024 0.000 2.324 245 K HA 0.721 5.041 4.320 -0.000 0.000 0.253 245 K C -0.369 176.229 176.600 -0.002 0.000 0.932 245 K CA -1.267 55.032 56.287 0.019 0.000 0.799 245 K CB 1.470 33.979 32.500 0.015 0.000 1.154 245 K HN 0.034 nan 8.250 nan 0.000 0.425 246 L N 4.450 125.664 121.223 -0.015 0.000 2.410 246 L HA 0.057 4.397 4.340 -0.000 0.000 0.273 246 L C 0.779 177.571 176.870 -0.130 0.000 1.152 246 L CA 0.433 55.214 54.840 -0.097 0.000 0.855 246 L CB 1.567 43.545 42.059 -0.134 0.000 1.129 246 L HN 0.694 nan 8.230 nan 0.000 0.463 247 V N 0.927 120.754 119.914 -0.144 0.000 3.570 247 V HA 0.786 4.906 4.120 -0.000 0.000 0.257 247 V C 0.610 176.614 176.094 -0.151 0.000 1.272 247 V CA 0.710 62.953 62.300 -0.094 0.000 1.079 247 V CB -0.038 31.785 31.823 -0.000 0.000 0.829 247 V HN 0.829 nan 8.190 nan 0.000 0.454 248 G N -0.430 108.191 108.800 -0.298 0.000 2.427 248 G HA2 0.562 4.522 3.960 -0.000 0.000 0.306 248 G HA3 0.562 4.522 3.960 -0.000 0.000 0.306 248 G C -2.144 172.341 174.900 -0.690 0.000 1.280 248 G CA -0.578 44.214 45.100 -0.513 0.000 0.837 248 G HN 0.098 nan 8.290 nan 0.000 0.482 249 F N 0.037 119.825 119.950 -0.271 0.000 2.601 249 F HA 0.543 5.070 4.527 0.000 0.000 0.309 249 F C -0.301 175.473 175.800 -0.045 0.000 1.089 249 F CA -1.118 56.842 58.000 -0.067 0.000 0.940 249 F CB 2.492 41.525 39.000 0.055 0.000 1.273 249 F HN 0.183 nan 8.300 nan 0.000 0.450 250 N N 1.825 120.665 118.700 0.232 0.000 2.479 250 N HA 0.456 5.196 4.740 -0.000 0.000 0.285 250 N C -1.328 174.168 175.510 -0.022 0.000 1.075 250 N CA -0.444 52.670 53.050 0.106 0.000 0.967 250 N CB 1.812 40.249 38.487 -0.083 0.000 1.137 250 N HN 0.524 nan 8.380 nan 0.000 0.472 251 L N 2.842 124.015 121.223 -0.084 0.000 2.282 251 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 251 L C -1.428 175.235 176.870 -0.345 0.000 1.033 251 L CA -0.459 54.194 54.840 -0.311 0.000 0.807 251 L CB 0.795 42.682 42.059 -0.286 0.000 1.209 251 L HN 0.334 nan 8.230 nan 0.000 0.423 252 L N 5.787 126.752 121.223 -0.432 0.000 2.356 252 L HA 0.711 5.051 4.340 -0.000 0.000 0.277 252 L C -0.807 175.747 176.870 -0.527 0.000 0.996 252 L CA -0.279 54.347 54.840 -0.356 0.000 0.822 252 L CB 2.152 44.087 42.059 -0.207 0.000 1.256 252 L HN 0.349 nan 8.230 nan 0.000 0.413 253 V N 1.531 121.073 119.914 -0.621 0.000 2.735 253 V HA 0.817 4.937 4.120 -0.000 0.000 0.310 253 V C 0.571 176.422 176.094 -0.405 0.000 1.061 253 V CA -0.020 61.882 62.300 -0.664 0.000 0.913 253 V CB 1.693 32.805 31.823 -1.184 0.000 1.005 253 V HN 0.828 nan 8.190 nan 0.000 0.428 254 G N 2.746 111.333 108.800 -0.355 0.000 2.138 254 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.193 254 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.193 254 G C 0.364 175.161 174.900 -0.172 0.000 0.998 254 G CA -0.193 44.760 45.100 -0.245 0.000 0.668 254 G HN 1.363 nan 8.290 nan 0.000 0.516 255 G N -0.673 108.019 108.800 -0.179 0.000 2.476 255 G HA2 0.841 4.801 3.960 -0.000 0.000 0.286 255 G HA3 0.841 4.801 3.960 -0.000 0.000 0.286 255 G C 0.311 175.119 174.900 -0.153 0.000 1.177 255 G CA -0.101 44.931 45.100 -0.112 0.000 0.870 255 G HN 1.623 nan 8.290 nan 0.000 0.528 256 G N -0.655 108.075 108.800 -0.117 0.000 2.433 256 G HA2 0.367 4.327 3.960 -0.000 0.000 0.306 256 G HA3 0.367 4.327 3.960 -0.000 0.000 0.306 256 G C 0.004 174.846 174.900 -0.097 0.000 1.627 256 G CA -0.745 44.276 45.100 -0.132 0.000 0.893 256 G HN 0.612 nan 8.290 nan 0.000 0.648 257 L N 0.742 121.917 121.223 -0.081 0.000 2.609 257 L HA 0.283 4.623 4.340 -0.000 0.000 0.230 257 L C 1.677 178.514 176.870 -0.055 0.000 1.087 257 L CA 0.013 54.814 54.840 -0.065 0.000 0.874 257 L CB 0.660 42.678 42.059 -0.068 0.000 1.114 257 L HN 0.523 nan 8.230 nan 0.000 0.488 258 S N 1.636 117.307 115.700 -0.048 0.000 2.537 258 S HA 0.332 4.802 4.470 -0.000 0.000 0.286 258 S C -0.086 174.524 174.600 0.017 0.000 1.299 258 S CA -0.295 57.889 58.200 -0.025 0.000 1.067 258 S CB -0.014 63.177 63.200 -0.014 0.000 0.864 258 S HN 0.267 nan 8.310 nan 0.000 0.494 259 I N 1.018 121.600 120.570 0.019 0.000 3.264 259 I HA 0.726 4.896 4.170 -0.000 0.000 0.315 259 I C -0.806 175.340 176.117 0.049 0.000 1.154 259 I CA -1.153 60.211 61.300 0.107 0.000 0.962 259 I CB 2.147 40.266 38.000 0.197 0.000 1.265 259 I HN 0.494 nan 8.210 nan 0.000 0.463 260 E N 1.083 121.355 120.200 0.120 0.000 2.234 260 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 260 E C -1.196 175.490 176.600 0.144 0.000 0.877 260 E CA -0.806 55.618 56.400 0.040 0.000 0.758 260 E CB 1.072 30.787 29.700 0.025 0.000 1.170 260 E HN 0.570 nan 8.360 nan 0.000 0.415 261 H N 2.125 121.298 119.070 0.171 0.000 3.094 261 H HA 0.030 4.586 4.556 0.000 0.000 0.320 261 H C 1.248 176.647 175.328 0.118 0.000 1.000 261 H CA 1.689 57.865 56.048 0.212 0.000 1.413 261 H CB 0.937 30.778 29.762 0.131 0.000 1.405 261 H HN 0.950 nan 8.280 nan 0.000 0.586 262 G N 3.532 112.499 108.800 0.278 0.000 2.175 262 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 262 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 262 G C 0.547 175.259 174.900 -0.314 0.000 0.979 262 G CA 0.527 45.603 45.100 -0.039 0.000 0.663 262 G HN 0.681 nan 8.290 nan 0.000 0.533 263 N N 0.414 118.896 118.700 -0.363 0.000 2.589 263 N HA 0.334 5.074 4.740 -0.000 0.000 0.232 263 N C 1.224 176.332 175.510 -0.671 0.000 1.015 263 N CA -0.439 52.391 53.050 -0.366 0.000 0.931 263 N CB 0.443 38.844 38.487 -0.143 0.000 1.150 263 N HN 0.347 nan 8.380 nan 0.000 0.512 264 K N 1.590 121.479 120.400 -0.851 0.000 2.574 264 K HA -0.005 4.315 4.320 -0.000 0.000 0.193 264 K C 0.804 177.239 176.600 -0.274 0.000 1.035 264 K CA 0.699 56.394 56.287 -0.987 0.000 0.982 264 K CB 0.418 32.504 32.500 -0.691 0.000 0.795 264 K HN 0.432 nan 8.250 nan 0.000 0.491 265 K N 0.660 120.970 120.400 -0.151 0.000 2.426 265 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 265 K C 0.680 177.307 176.600 0.044 0.000 1.028 265 K CA 0.555 56.838 56.287 -0.006 0.000 1.047 265 K CB 0.438 32.884 32.500 -0.091 0.000 0.821 265 K HN 0.190 nan 8.250 nan 0.000 0.513 266 T N -1.058 113.559 114.554 0.105 0.000 2.918 266 T HA 0.527 4.877 4.350 -0.000 0.000 0.286 266 T C -0.623 174.355 174.700 0.463 0.000 1.026 266 T CA -0.815 61.381 62.100 0.160 0.000 1.031 266 T CB 1.036 69.990 68.868 0.144 0.000 1.046 266 T HN 0.151 nan 8.240 nan 0.000 0.479 267 Y N -1.300 119.274 120.300 0.456 0.000 2.662 267 Y HA 0.738 5.288 4.550 -0.000 0.000 0.334 267 Y C -0.704 175.245 175.900 0.083 0.000 1.185 267 Y CA -1.939 56.340 58.100 0.299 0.000 1.074 267 Y CB 0.532 39.164 38.460 0.287 0.000 1.330 267 Y HN 0.960 nan 8.280 nan 0.000 0.458 268 A N 2.713 125.659 122.820 0.211 0.000 2.340 268 A HA 0.837 5.157 4.320 -0.000 0.000 0.268 268 A C -0.340 177.329 177.584 0.141 0.000 1.100 268 A CA -0.667 51.414 52.037 0.074 0.000 0.803 268 A CB 0.859 19.851 19.000 -0.013 0.000 1.043 268 A HN 0.830 nan 8.150 nan 0.000 0.488 269 R N 0.479 121.016 120.500 0.062 0.000 2.651 269 R HA 0.499 4.839 4.340 -0.000 0.000 0.278 269 R C -0.602 175.699 176.300 0.003 0.000 1.010 269 R CA -0.181 55.950 56.100 0.051 0.000 0.896 269 R CB 1.778 32.138 30.300 0.099 0.000 1.211 269 R HN 0.875 nan 8.270 nan 0.000 0.456 270 T N 0.442 114.986 114.554 -0.016 0.000 2.899 270 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 270 T C 0.467 175.249 174.700 0.135 0.000 1.004 270 T CA -0.734 61.382 62.100 0.025 0.000 1.043 270 T CB 1.525 70.226 68.868 -0.279 0.000 1.013 270 T HN 0.622 nan 8.240 nan 0.000 0.518 271 A N 1.747 124.801 122.820 0.390 0.000 2.371 271 A HA 0.561 4.881 4.320 -0.000 0.000 0.257 271 A C 0.514 178.169 177.584 0.119 0.000 1.089 271 A CA -0.673 51.428 52.037 0.105 0.000 0.794 271 A CB -0.030 18.924 19.000 -0.077 0.000 1.029 271 A HN 0.801 nan 8.150 nan 0.000 0.488 272 S N 1.014 116.733 115.700 0.032 0.000 2.525 272 S HA 0.288 4.758 4.470 -0.000 0.000 0.290 272 S C -0.228 174.449 174.600 0.128 0.000 1.152 272 S CA -0.533 57.730 58.200 0.104 0.000 1.072 272 S CB 0.967 64.258 63.200 0.151 0.000 1.027 272 S HN 0.722 nan 8.310 nan 0.000 0.500 273 E N 1.451 121.746 120.200 0.158 0.000 2.324 273 E HA 0.109 4.459 4.350 -0.000 0.000 0.271 273 E C -0.330 176.414 176.600 0.241 0.000 1.028 273 E CA -0.015 56.475 56.400 0.150 0.000 0.890 273 E CB 0.380 30.171 29.700 0.152 0.000 1.004 273 E HN 0.502 nan 8.360 nan 0.000 0.431 274 F N 1.156 120.964 119.950 -0.237 0.000 2.419 274 F HA 0.304 4.831 4.527 -0.000 0.000 0.283 274 F C 1.219 176.736 175.800 -0.472 0.000 1.044 274 F CA 0.955 58.697 58.000 -0.430 0.000 1.376 274 F CB 0.380 38.944 39.000 -0.727 0.000 1.131 274 F HN 0.633 nan 8.300 nan 0.000 0.585 275 G N -1.713 106.988 108.800 -0.164 0.000 2.356 275 G HA2 0.188 4.148 3.960 -0.000 0.000 0.288 275 G HA3 0.188 4.148 3.960 -0.000 0.000 0.288 275 G C -2.230 172.805 174.900 0.225 0.000 1.302 275 G CA -0.912 44.214 45.100 0.045 0.000 0.887 275 G HN -0.021 nan 8.290 nan 0.000 0.521 276 Y N 1.201 121.652 120.300 0.251 0.000 2.387 276 Y HA 0.774 5.324 4.550 -0.000 0.000 0.330 276 Y C -0.144 175.967 175.900 0.351 0.000 1.133 276 Y CA -1.034 57.216 58.100 0.250 0.000 1.152 276 Y CB 1.373 39.923 38.460 0.150 0.000 1.215 276 Y HN 0.784 nan 8.280 nan 0.000 0.466 277 L N 4.544 125.431 121.223 -0.561 0.000 2.455 277 L HA 0.699 5.039 4.340 -0.000 0.000 0.264 277 L C -3.372 173.106 176.870 -0.652 0.000 0.968 277 L CA -2.449 52.188 54.840 -0.337 0.000 0.827 277 L CB 1.181 43.262 42.059 0.037 0.000 1.317 277 L HN 0.459 nan 8.230 nan 0.000 0.407 278 P HA 0.143 nan 4.420 nan 0.000 0.269 278 P C 1.041 178.136 177.300 -0.342 0.000 1.215 278 P CA -0.379 62.551 63.100 -0.282 0.000 0.780 278 P CB 0.880 32.473 31.700 -0.178 0.000 0.898 279 L N 3.107 124.101 121.223 -0.383 0.000 2.051 279 L HA -0.250 4.090 4.340 -0.000 0.000 0.214 279 L C 2.127 178.755 176.870 -0.403 0.000 1.076 279 L CA 1.962 56.503 54.840 -0.498 0.000 0.758 279 L CB -1.319 40.489 42.059 -0.420 0.000 0.890 279 L HN 0.536 nan 8.230 nan 0.000 0.433 280 E N -2.225 117.786 120.200 -0.315 0.000 2.209 280 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 280 E C 1.201 177.670 176.600 -0.218 0.000 0.993 280 E CA 1.605 57.850 56.400 -0.258 0.000 0.819 280 E CB -0.575 28.922 29.700 -0.338 0.000 0.745 280 E HN 0.616 nan 8.360 nan 0.000 0.477 281 H N 0.556 119.557 119.070 -0.116 0.000 2.539 281 H HA 0.172 4.728 4.556 -0.000 0.000 0.269 281 H C 1.485 176.752 175.328 -0.101 0.000 0.980 281 H CA 0.824 56.812 56.048 -0.100 0.000 1.152 281 H CB 0.201 29.894 29.762 -0.114 0.000 1.407 281 H HN 0.182 nan 8.280 nan 0.000 0.564 282 T N 1.591 116.089 114.554 -0.094 0.000 2.597 282 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 282 T C 2.352 176.959 174.700 -0.154 0.000 1.053 282 T CA 1.184 63.154 62.100 -0.217 0.000 1.165 282 T CB -0.287 68.218 68.868 -0.605 0.000 0.863 282 T HN 0.269 nan 8.240 nan 0.000 0.427 283 L N 0.651 121.796 121.223 -0.130 0.000 2.083 283 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 283 L C 3.115 179.901 176.870 -0.140 0.000 1.083 283 L CA 1.235 55.902 54.840 -0.288 0.000 0.752 283 L CB -0.820 40.937 42.059 -0.503 0.000 0.899 283 L HN 0.283 nan 8.230 nan 0.000 0.433 284 A N -0.233 122.568 122.820 -0.032 0.000 1.898 284 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 284 A C 2.335 179.958 177.584 0.065 0.000 1.181 284 A CA 1.579 53.633 52.037 0.029 0.000 0.620 284 A CB -0.689 18.319 19.000 0.014 0.000 0.819 284 A HN 0.193 nan 8.150 nan 0.000 0.442 285 V N -0.203 119.766 119.914 0.093 0.000 2.358 285 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 285 V C 3.053 179.304 176.094 0.261 0.000 1.047 285 V CA 1.768 64.176 62.300 0.179 0.000 1.035 285 V CB -1.184 30.798 31.823 0.266 0.000 0.658 285 V HN 0.606 nan 8.190 nan 0.000 0.452 286 A N -0.425 122.577 122.820 0.303 0.000 1.908 286 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 286 A C 2.282 180.006 177.584 0.234 0.000 1.181 286 A CA 2.201 54.458 52.037 0.366 0.000 0.627 286 A CB -0.523 18.664 19.000 0.312 0.000 0.818 286 A HN 0.615 nan 8.150 nan 0.000 0.445 287 E N -0.426 119.914 120.200 0.234 0.000 2.072 287 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 287 E C 2.172 178.794 176.600 0.037 0.000 0.985 287 E CA 0.858 57.348 56.400 0.149 0.000 0.801 287 E CB -0.229 29.616 29.700 0.242 0.000 0.750 287 E HN 0.552 nan 8.360 nan 0.000 0.452 288 A N 0.413 123.266 122.820 0.055 0.000 1.933 288 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 288 A C 2.358 179.934 177.584 -0.013 0.000 1.175 288 A CA 1.351 53.387 52.037 -0.001 0.000 0.628 288 A CB -0.564 18.450 19.000 0.024 0.000 0.814 288 A HN 0.216 nan 8.150 nan 0.000 0.444 289 V N -0.550 119.423 119.914 0.098 0.000 2.307 289 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 289 V C 2.569 178.693 176.094 0.049 0.000 1.045 289 V CA 1.909 64.328 62.300 0.197 0.000 1.024 289 V CB -0.718 31.267 31.823 0.270 0.000 0.651 289 V HN 0.368 nan 8.190 nan 0.000 0.449 290 V N 1.002 120.815 119.914 -0.169 0.000 2.295 290 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 290 V C 2.824 178.755 176.094 -0.272 0.000 1.049 290 V CA 2.645 64.663 62.300 -0.470 0.000 1.024 290 V CB -1.142 30.383 31.823 -0.498 0.000 0.648 290 V HN 0.844 nan 8.190 nan 0.000 0.447 291 T N -3.081 111.356 114.554 -0.195 0.000 2.777 291 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 291 T C 1.817 176.368 174.700 -0.249 0.000 1.040 291 T CA 1.916 63.907 62.100 -0.182 0.000 1.141 291 T CB -0.723 68.057 68.868 -0.147 0.000 0.868 291 T HN 0.435 nan 8.240 nan 0.000 0.444 292 T N 1.910 116.244 114.554 -0.366 0.000 2.746 292 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 292 T C 2.053 176.452 174.700 -0.501 0.000 1.039 292 T CA 1.655 63.305 62.100 -0.750 0.000 1.142 292 T CB -0.458 67.699 68.868 -1.185 0.000 0.866 292 T HN 0.487 nan 8.240 nan 0.000 0.444 293 Q N 1.710 121.467 119.800 -0.072 0.000 2.084 293 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 293 Q C 2.240 178.307 176.000 0.111 0.000 0.978 293 Q CA 1.619 57.554 55.803 0.220 0.000 0.844 293 Q CB -0.413 28.533 28.738 0.347 0.000 0.898 293 Q HN 0.468 nan 8.270 nan 0.000 0.426 294 R N -0.215 120.279 120.500 -0.009 0.000 2.083 294 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 294 R C 1.115 177.441 176.300 0.043 0.000 1.137 294 R CA 1.981 58.080 56.100 -0.001 0.000 0.951 294 R CB -0.308 29.954 30.300 -0.063 0.000 0.851 294 R HN 0.354 nan 8.270 nan 0.000 0.434 295 D N -0.751 119.656 120.400 0.011 0.000 2.123 295 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 295 D C 1.629 178.122 176.300 0.321 0.000 0.976 295 D CA 0.938 55.003 54.000 0.108 0.000 0.831 295 D CB -0.280 40.548 40.800 0.047 0.000 0.974 295 D HN 0.367 nan 8.370 nan 0.000 0.469 296 W N 1.825 123.145 121.300 0.033 0.000 2.737 296 W HA 0.317 4.977 4.660 -0.000 0.000 0.262 296 W C 1.318 177.901 176.519 0.107 0.000 1.282 296 W CA -0.573 56.812 57.345 0.066 0.000 1.386 296 W CB -1.021 28.485 29.460 0.076 0.000 1.099 296 W HN -0.209 nan 8.180 nan 0.000 0.621 297 G N 1.920 110.919 108.800 0.332 0.000 2.474 297 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.233 297 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.233 297 G C 0.346 175.353 174.900 0.178 0.000 1.278 297 G CA -0.371 44.879 45.100 0.250 0.000 0.861 297 G HN -0.011 nan 8.290 nan 0.000 0.567 298 N N 0.807 119.596 118.700 0.148 0.000 2.359 298 N HA -0.049 4.691 4.740 -0.000 0.000 0.261 298 N C 0.433 175.984 175.510 0.068 0.000 1.267 298 N CA 0.020 53.123 53.050 0.089 0.000 0.864 298 N CB 0.388 38.908 38.487 0.055 0.000 1.063 298 N HN 0.268 nan 8.380 nan 0.000 0.474 299 R N 3.322 123.854 120.500 0.054 0.000 3.782 299 R HA 0.185 4.525 4.340 -0.000 0.000 0.291 299 R C -0.054 176.260 176.300 0.023 0.000 1.539 299 R CA -0.152 55.973 56.100 0.041 0.000 1.345 299 R CB -0.220 30.106 30.300 0.043 0.000 1.408 299 R HN 0.650 nan 8.270 nan 0.000 0.654 300 T N -2.291 112.272 114.554 0.015 0.000 3.646 300 T HA -0.023 4.327 4.350 -0.000 0.000 0.213 300 T C -0.450 174.246 174.700 -0.006 0.000 0.860 300 T CA -0.365 61.736 62.100 0.003 0.000 1.045 300 T CB 0.232 69.097 68.868 -0.004 0.000 1.057 300 T HN 0.092 nan 8.240 nan 0.000 0.340 301 D N 2.153 122.541 120.400 -0.019 0.000 2.336 301 D HA 0.267 4.907 4.640 -0.000 0.000 0.249 301 D C 1.178 177.457 176.300 -0.036 0.000 1.213 301 D CA -0.384 53.593 54.000 -0.039 0.000 0.870 301 D CB 1.180 41.939 40.800 -0.069 0.000 1.076 301 D HN 0.318 nan 8.370 nan 0.000 0.483 302 R N 3.525 124.011 120.500 -0.023 0.000 2.120 302 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 302 R C 0.895 177.182 176.300 -0.020 0.000 1.123 302 R CA 1.271 57.367 56.100 -0.006 0.000 0.975 302 R CB 0.040 30.342 30.300 0.002 0.000 0.866 302 R HN 0.213 nan 8.270 nan 0.000 0.446 303 K N 0.161 120.522 120.400 -0.065 0.000 2.611 303 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 303 K C 0.683 177.110 176.600 -0.289 0.000 1.026 303 K CA 0.627 56.849 56.287 -0.107 0.000 1.063 303 K CB -0.047 32.382 32.500 -0.120 0.000 0.839 303 K HN 0.324 nan 8.250 nan 0.000 0.505 304 N N -0.266 118.275 118.700 -0.266 0.000 2.142 304 N HA 0.110 4.850 4.740 -0.000 0.000 0.233 304 N C 0.607 176.111 175.510 -0.009 0.000 1.335 304 N CA 0.133 52.880 53.050 -0.505 0.000 0.837 304 N CB 0.710 38.936 38.487 -0.435 0.000 1.238 304 N HN 0.123 nan 8.380 nan 0.000 0.501 305 A N 0.769 123.643 122.820 0.089 0.000 2.016 305 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 305 A C 1.194 178.913 177.584 0.224 0.000 1.162 305 A CA 0.622 52.748 52.037 0.149 0.000 0.662 305 A CB -0.090 18.971 19.000 0.101 0.000 0.812 305 A HN 0.193 nan 8.150 nan 0.000 0.450 306 K N 0.291 120.855 120.400 0.273 0.000 2.494 306 K HA 0.091 4.411 4.320 -0.000 0.000 0.273 306 K C 1.129 177.822 176.600 0.155 0.000 0.970 306 K CA 1.046 57.445 56.287 0.186 0.000 0.963 306 K CB 0.246 32.814 32.500 0.113 0.000 0.913 306 K HN 0.225 nan 8.250 nan 0.000 0.502 307 T N 3.449 118.055 114.554 0.087 0.000 2.737 307 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 307 T C 1.322 175.996 174.700 -0.044 0.000 1.040 307 T CA 2.005 64.138 62.100 0.056 0.000 1.142 307 T CB -0.269 68.588 68.868 -0.018 0.000 0.861 307 T HN 0.728 nan 8.240 nan 0.000 0.456 308 K N 0.364 120.665 120.400 -0.165 0.000 2.152 308 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 308 K C 1.724 178.244 176.600 -0.134 0.000 1.048 308 K CA 1.633 57.793 56.287 -0.212 0.000 0.933 308 K CB -0.553 31.736 32.500 -0.352 0.000 0.721 308 K HN 0.338 nan 8.250 nan 0.000 0.447 309 Y N 2.323 122.672 120.300 0.083 0.000 2.243 309 Y HA -0.020 4.530 4.550 -0.000 0.000 0.293 309 Y C 2.753 178.748 175.900 0.158 0.000 1.124 309 Y CA 1.228 59.396 58.100 0.114 0.000 1.159 309 Y CB -0.683 37.794 38.460 0.028 0.000 1.008 309 Y HN 0.069 nan 8.280 nan 0.000 0.527 310 T N 0.848 115.591 114.554 0.315 0.000 2.684 310 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 310 T C 2.137 177.036 174.700 0.332 0.000 1.036 310 T CA 1.382 63.689 62.100 0.346 0.000 1.148 310 T CB -0.632 68.497 68.868 0.435 0.000 0.863 310 T HN 0.212 nan 8.240 nan 0.000 0.436 311 L N 0.772 122.119 121.223 0.207 0.000 2.042 311 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 311 L C 2.885 179.861 176.870 0.177 0.000 1.076 311 L CA 1.263 56.197 54.840 0.155 0.000 0.749 311 L CB -0.460 41.601 42.059 0.003 0.000 0.893 311 L HN 0.231 nan 8.230 nan 0.000 0.432 312 E N -0.419 119.891 120.200 0.184 0.000 2.208 312 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 312 E C 2.145 178.846 176.600 0.168 0.000 0.988 312 E CA 0.707 57.211 56.400 0.174 0.000 0.828 312 E CB -0.048 29.797 29.700 0.240 0.000 0.763 312 E HN 0.407 nan 8.360 nan 0.000 0.478 313 R N 0.799 121.415 120.500 0.195 0.000 2.062 313 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 313 R C 2.377 178.740 176.300 0.105 0.000 1.125 313 R CA 1.479 57.666 56.100 0.145 0.000 0.966 313 R CB 0.109 30.499 30.300 0.151 0.000 0.861 313 R HN 0.166 nan 8.270 nan 0.000 0.433 314 V N -2.754 117.249 119.914 0.147 0.000 3.174 314 V HA 0.383 4.503 4.120 -0.000 0.000 0.254 314 V C 0.618 176.794 176.094 0.135 0.000 1.120 314 V CA 0.549 62.909 62.300 0.100 0.000 1.114 314 V CB -0.057 31.830 31.823 0.106 0.000 0.756 314 V HN 0.473 nan 8.190 nan 0.000 0.467 315 G N -0.504 108.399 108.800 0.172 0.000 2.788 315 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.686 315 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.686 315 G C -0.125 174.883 174.900 0.179 0.000 1.147 315 G CA -0.362 44.821 45.100 0.137 0.000 0.755 315 G HN 0.575 nan 8.290 nan 0.000 0.634 316 V N 1.766 121.745 119.914 0.109 0.000 2.332 316 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 316 V C 2.724 178.784 176.094 -0.057 0.000 1.055 316 V CA 2.737 65.065 62.300 0.046 0.000 1.038 316 V CB -0.381 31.445 31.823 0.004 0.000 0.651 316 V HN 0.788 nan 8.190 nan 0.000 0.450 317 E N -0.005 120.180 120.200 -0.025 0.000 2.110 317 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 317 E C 2.321 178.951 176.600 0.051 0.000 0.988 317 E CA 1.772 58.151 56.400 -0.035 0.000 0.804 317 E CB -0.594 29.101 29.700 -0.008 0.000 0.745 317 E HN 0.621 nan 8.360 nan 0.000 0.458 318 T N 1.035 115.673 114.554 0.139 0.000 2.737 318 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 318 T C 1.632 176.575 174.700 0.405 0.000 1.038 318 T CA 0.949 63.186 62.100 0.228 0.000 1.144 318 T CB -0.408 68.574 68.868 0.191 0.000 0.866 318 T HN 0.095 nan 8.240 nan 0.000 0.434 319 F N 2.135 122.273 119.950 0.315 0.000 2.146 319 F HA 0.023 4.549 4.527 -0.000 0.000 0.298 319 F C 2.349 178.198 175.800 0.082 0.000 1.096 319 F CA 1.268 59.455 58.000 0.312 0.000 1.275 319 F CB -0.203 39.010 39.000 0.354 0.000 1.008 319 F HN -0.036 nan 8.300 nan 0.000 0.480 320 K N 0.266 120.722 120.400 0.093 0.000 2.032 320 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 320 K C 2.211 178.868 176.600 0.096 0.000 1.048 320 K CA 1.372 57.544 56.287 -0.192 0.000 0.927 320 K CB -0.460 31.645 32.500 -0.659 0.000 0.712 320 K HN 0.280 nan 8.250 nan 0.000 0.441 321 A N 1.113 123.980 122.820 0.078 0.000 1.902 321 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 321 A C 1.990 179.620 177.584 0.075 0.000 1.181 321 A CA 1.991 54.083 52.037 0.092 0.000 0.623 321 A CB -0.601 18.453 19.000 0.089 0.000 0.818 321 A HN 0.535 nan 8.150 nan 0.000 0.443 322 E N -0.168 120.062 120.200 0.050 0.000 2.150 322 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 322 E C 1.758 178.286 176.600 -0.120 0.000 0.985 322 E CA 1.329 57.687 56.400 -0.069 0.000 0.814 322 E CB -0.338 29.189 29.700 -0.288 0.000 0.752 322 E HN 0.251 nan 8.360 nan 0.000 0.466 323 V N 0.801 120.691 119.914 -0.040 0.000 2.358 323 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 323 V C 2.116 178.247 176.094 0.061 0.000 1.047 323 V CA 2.151 64.494 62.300 0.073 0.000 1.035 323 V CB -0.471 31.584 31.823 0.387 0.000 0.658 323 V HN 0.304 nan 8.190 nan 0.000 0.452 324 E N -0.210 120.040 120.200 0.084 0.000 2.077 324 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 324 E C 2.441 178.997 176.600 -0.074 0.000 0.989 324 E CA 1.280 57.645 56.400 -0.058 0.000 0.800 324 E CB -0.196 29.502 29.700 -0.003 0.000 0.746 324 E HN 0.426 nan 8.360 nan 0.000 0.452 325 R N 1.024 121.504 120.500 -0.033 0.000 2.083 325 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 325 R C 2.259 178.526 176.300 -0.054 0.000 1.137 325 R CA 1.581 57.659 56.100 -0.037 0.000 0.951 325 R CB 0.011 30.302 30.300 -0.015 0.000 0.851 325 R HN 0.053 nan 8.270 nan 0.000 0.434 326 R N -0.447 120.015 120.500 -0.065 0.000 2.092 326 R HA -0.026 4.314 4.340 -0.000 0.000 0.231 326 R C 2.238 178.500 176.300 -0.063 0.000 1.119 326 R CA 1.220 57.280 56.100 -0.067 0.000 0.970 326 R CB -0.202 30.043 30.300 -0.091 0.000 0.864 326 R HN 0.254 nan 8.270 nan 0.000 0.440 327 A N 0.228 123.001 122.820 -0.078 0.000 2.067 327 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 327 A C 1.471 178.966 177.584 -0.148 0.000 1.156 327 A CA 1.001 52.976 52.037 -0.102 0.000 0.683 327 A CB -0.205 18.713 19.000 -0.137 0.000 0.808 327 A HN 0.463 nan 8.150 nan 0.000 0.455 328 G N -0.710 108.001 108.800 -0.148 0.000 2.171 328 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.238 328 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.238 328 G C 0.079 174.840 174.900 -0.233 0.000 1.039 328 G CA 0.529 45.541 45.100 -0.147 0.000 0.759 328 G HN 1.543 nan 8.290 nan 0.000 0.501 329 I N -5.053 115.341 120.570 -0.293 0.000 3.354 329 I HA 0.958 5.128 4.170 -0.000 0.000 0.316 329 I C -0.999 174.942 176.117 -0.295 0.000 1.182 329 I CA -1.712 59.361 61.300 -0.377 0.000 0.942 329 I CB 2.005 39.622 38.000 -0.639 0.000 1.299 329 I HN -0.176 nan 8.210 nan 0.000 0.473 330 K N 1.929 122.176 120.400 -0.255 0.000 2.471 330 K HA 0.476 4.796 4.320 -0.000 0.000 0.252 330 K C -1.549 174.984 176.600 -0.112 0.000 0.938 330 K CA -0.453 55.756 56.287 -0.130 0.000 0.796 330 K CB 1.880 34.362 32.500 -0.029 0.000 1.161 330 K HN 0.480 nan 8.250 nan 0.000 0.425 331 F N 1.689 121.670 119.950 0.051 0.000 2.518 331 F HA 0.086 4.613 4.527 0.000 0.000 0.359 331 F C 1.486 177.355 175.800 0.115 0.000 1.118 331 F CA 0.391 58.446 58.000 0.092 0.000 1.287 331 F CB 0.566 39.632 39.000 0.109 0.000 1.132 331 F HN 0.352 nan 8.300 nan 0.000 0.587 332 E N 3.389 123.818 120.200 0.381 0.000 2.280 332 E HA 0.295 4.645 4.350 -0.000 0.000 0.261 332 E C -2.315 174.460 176.600 0.292 0.000 1.088 332 E CA -1.970 54.613 56.400 0.305 0.000 0.915 332 E CB 0.530 30.456 29.700 0.377 0.000 1.141 332 E HN 0.247 nan 8.360 nan 0.000 0.433 333 P HA -0.018 nan 4.420 nan 0.000 0.269 333 P C -0.438 176.962 177.300 0.166 0.000 1.209 333 P CA 0.037 63.223 63.100 0.143 0.000 0.776 333 P CB 0.395 32.143 31.700 0.081 0.000 0.876 334 I N 3.230 123.897 120.570 0.162 0.000 2.752 334 I HA -0.049 4.121 4.170 -0.000 0.000 0.289 334 I C 1.259 177.450 176.117 0.124 0.000 1.197 334 I CA 0.667 62.080 61.300 0.189 0.000 1.432 334 I CB -0.161 37.955 38.000 0.194 0.000 1.359 334 I HN 0.288 nan 8.210 nan 0.000 0.571 335 R N 6.849 127.410 120.500 0.101 0.000 2.459 335 R HA 0.356 4.696 4.340 -0.000 0.000 0.281 335 R C -2.260 174.122 176.300 0.137 0.000 1.050 335 R CA -1.921 54.178 56.100 -0.002 0.000 1.055 335 R CB 0.137 30.347 30.300 -0.150 0.000 1.045 335 R HN 0.286 nan 8.270 nan 0.000 0.495 336 P HA -0.010 nan 4.420 nan 0.000 0.265 336 P C -1.177 176.213 177.300 0.149 0.000 1.193 336 P CA 0.485 63.630 63.100 0.076 0.000 0.765 336 P CB 0.181 31.880 31.700 -0.001 0.000 0.823 337 Y N -0.891 119.350 120.300 -0.100 0.000 2.592 337 Y HA 0.697 5.247 4.550 -0.000 0.000 0.334 337 Y C -1.109 174.629 175.900 -0.270 0.000 1.136 337 Y CA -1.216 56.773 58.100 -0.185 0.000 1.042 337 Y CB 1.319 39.653 38.460 -0.210 0.000 1.325 337 Y HN 0.333 nan 8.280 nan 0.000 0.457 338 E N 1.887 121.839 120.200 -0.412 0.000 2.413 338 E HA 0.570 4.920 4.350 -0.000 0.000 0.277 338 E C -2.022 174.328 176.600 -0.417 0.000 0.958 338 E CA -0.927 55.216 56.400 -0.430 0.000 0.779 338 E CB 2.731 32.319 29.700 -0.188 0.000 1.278 338 E HN 0.464 nan 8.360 nan 0.000 0.456 339 F N 0.162 120.151 119.950 0.066 0.000 2.522 339 F HA 0.283 4.810 4.527 0.000 0.000 0.324 339 F C 1.322 177.176 175.800 0.090 0.000 1.077 339 F CA -0.570 57.498 58.000 0.114 0.000 0.944 339 F CB 2.010 41.091 39.000 0.134 0.000 1.175 339 F HN 0.480 nan 8.300 nan 0.000 0.468 340 T N -1.908 112.837 114.554 0.318 0.000 2.985 340 T HA 0.628 4.978 4.350 -0.000 0.000 0.254 340 T C 0.475 175.301 174.700 0.210 0.000 1.021 340 T CA 0.231 62.455 62.100 0.205 0.000 0.957 340 T CB 0.214 69.164 68.868 0.137 0.000 1.047 340 T HN 0.914 nan 8.240 nan 0.000 0.511 341 G N 0.188 109.129 108.800 0.235 0.000 2.349 341 G HA2 0.501 4.461 3.960 -0.000 0.000 0.294 341 G HA3 0.501 4.461 3.960 -0.000 0.000 0.294 341 G C -0.825 174.146 174.900 0.120 0.000 1.380 341 G CA -0.940 44.266 45.100 0.178 0.000 0.811 341 G HN 0.021 nan 8.290 nan 0.000 0.519 342 R N -0.827 119.719 120.500 0.076 0.000 2.531 342 R HA 0.269 4.609 4.340 -0.000 0.000 0.316 342 R C 1.154 177.460 176.300 0.011 0.000 0.955 342 R CA 0.194 56.307 56.100 0.021 0.000 1.120 342 R CB 1.566 31.865 30.300 -0.001 0.000 1.361 342 R HN 0.662 nan 8.270 nan 0.000 0.534 343 G N 0.601 109.408 108.800 0.012 0.000 2.539 343 G HA2 0.130 4.090 3.960 -0.000 0.000 0.258 343 G HA3 0.130 4.090 3.960 -0.000 0.000 0.258 343 G C -0.448 174.444 174.900 -0.013 0.000 1.202 343 G CA -0.368 44.720 45.100 -0.020 0.000 0.851 343 G HN -0.078 nan 8.290 nan 0.000 0.556 344 D N -0.583 119.806 120.400 -0.018 0.000 2.398 344 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 344 D C 0.451 176.737 176.300 -0.023 0.000 1.227 344 D CA 0.111 54.094 54.000 -0.029 0.000 0.980 344 D CB 0.858 41.644 40.800 -0.022 0.000 1.106 344 D HN 0.226 nan 8.370 nan 0.000 0.493 345 R N 0.963 121.443 120.500 -0.034 0.000 2.755 345 R HA 0.271 4.611 4.340 -0.000 0.000 0.268 345 R C -0.290 176.007 176.300 -0.004 0.000 1.295 345 R CA -0.685 55.414 56.100 -0.001 0.000 1.379 345 R CB 0.317 30.613 30.300 -0.006 0.000 1.170 345 R HN 0.243 nan 8.270 nan 0.000 0.584 346 I N 2.247 122.813 120.570 -0.007 0.000 2.752 346 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 346 I C 1.406 177.508 176.117 -0.025 0.000 1.197 346 I CA 1.194 62.481 61.300 -0.021 0.000 1.432 346 I CB -0.310 37.681 38.000 -0.015 0.000 1.359 346 I HN 0.856 nan 8.210 nan 0.000 0.571 347 G N 6.717 115.461 108.800 -0.092 0.000 2.472 347 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.205 347 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.205 347 G C -1.265 173.566 174.900 -0.113 0.000 1.270 347 G CA -0.796 44.232 45.100 -0.119 0.000 0.974 347 G HN 0.530 nan 8.290 nan 0.000 0.542 348 W N 0.499 121.862 121.300 0.105 0.000 2.316 348 W HA 0.544 5.205 4.660 0.000 0.000 0.311 348 W C 0.705 177.390 176.519 0.278 0.000 1.217 348 W CA 0.123 57.593 57.345 0.207 0.000 1.199 348 W CB 1.642 31.217 29.460 0.193 0.000 1.202 348 W HN 0.812 nan 8.180 nan 0.000 0.528 349 V N 0.831 121.081 119.914 0.562 0.000 2.925 349 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 349 V C -0.717 175.408 176.094 0.052 0.000 1.104 349 V CA -1.950 60.526 62.300 0.293 0.000 0.954 349 V CB 1.690 33.621 31.823 0.180 0.000 1.022 349 V HN 0.465 nan 8.190 nan 0.000 0.427 350 K N 2.660 122.842 120.400 -0.363 0.000 2.312 350 K HA 0.644 4.964 4.320 -0.000 0.000 0.287 350 K C 0.558 176.852 176.600 -0.509 0.000 1.062 350 K CA 0.600 56.327 56.287 -0.934 0.000 0.934 350 K CB 0.784 32.715 32.500 -0.947 0.000 1.027 350 K HN 1.142 nan 8.250 nan 0.000 0.478 351 G N 3.836 112.268 108.800 -0.613 0.000 2.695 351 G HA2 0.322 4.282 3.960 -0.000 0.000 0.213 351 G HA3 0.322 4.282 3.960 -0.000 0.000 0.213 351 G C -0.061 174.700 174.900 -0.232 0.000 1.406 351 G CA -0.833 44.046 45.100 -0.368 0.000 1.049 351 G HN 0.780 nan 8.290 nan 0.000 0.573 352 I N -2.161 118.353 120.570 -0.093 0.000 2.662 352 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 352 I C 0.073 176.148 176.117 -0.070 0.000 1.046 352 I CA -0.570 60.699 61.300 -0.051 0.000 1.361 352 I CB 0.854 38.868 38.000 0.023 0.000 1.429 352 I HN 0.566 nan 8.210 nan 0.000 0.558 353 D N 2.852 123.222 120.400 -0.051 0.000 3.935 353 D HA -0.281 4.359 4.640 -0.000 0.000 0.149 353 D C 0.325 176.594 176.300 -0.052 0.000 0.932 353 D CA 1.663 55.644 54.000 -0.031 0.000 1.083 353 D CB -0.802 39.997 40.800 -0.001 0.000 0.549 353 D HN 1.023 nan 8.370 nan 0.000 0.577 354 D N 1.394 121.790 120.400 -0.008 0.000 2.424 354 D HA 0.055 4.695 4.640 -0.000 0.000 0.220 354 D C -0.202 176.153 176.300 0.092 0.000 1.150 354 D CA -0.118 53.909 54.000 0.046 0.000 0.831 354 D CB -0.758 40.093 40.800 0.085 0.000 0.981 354 D HN 0.319 nan 8.370 nan 0.000 0.500 355 N N 0.106 118.785 118.700 -0.035 0.000 2.524 355 N HA 0.311 5.051 4.740 -0.000 0.000 0.283 355 N C -0.994 174.353 175.510 -0.272 0.000 1.142 355 N CA -0.364 52.677 53.050 -0.014 0.000 0.984 355 N CB 0.780 39.255 38.487 -0.021 0.000 1.155 355 N HN 0.050 nan 8.380 nan 0.000 0.467 356 W N 0.100 121.313 121.300 -0.145 0.000 2.882 356 W HA 0.368 5.028 4.660 -0.000 0.000 0.345 356 W C -0.343 176.133 176.519 -0.070 0.000 1.125 356 W CA -0.517 56.770 57.345 -0.096 0.000 1.167 356 W CB 1.009 30.520 29.460 0.085 0.000 1.431 356 W HN 0.316 nan 8.180 nan 0.000 0.543 357 H N 2.684 122.043 119.070 0.482 0.000 2.547 357 H HA 0.431 4.987 4.556 -0.000 0.000 0.342 357 H C -1.194 174.185 175.328 0.084 0.000 1.048 357 H CA -0.980 55.198 56.048 0.216 0.000 1.204 357 H CB 1.925 31.720 29.762 0.056 0.000 1.493 357 H HN 0.241 nan 8.280 nan 0.000 0.511 358 L N 3.369 124.499 121.223 -0.155 0.000 2.277 358 L HA 0.316 4.656 4.340 -0.000 0.000 0.284 358 L C -0.247 176.377 176.870 -0.410 0.000 1.028 358 L CA -0.129 54.312 54.840 -0.665 0.000 0.835 358 L CB 0.915 42.159 42.059 -1.358 0.000 1.215 358 L HN 0.465 nan 8.230 nan 0.000 0.425 359 T N 6.499 120.881 114.554 -0.287 0.000 2.771 359 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 359 T C -0.017 174.553 174.700 -0.216 0.000 0.954 359 T CA -0.167 61.802 62.100 -0.218 0.000 1.045 359 T CB 0.416 69.208 68.868 -0.126 0.000 0.917 359 T HN 0.413 nan 8.240 nan 0.000 0.484 360 L N 3.751 124.841 121.223 -0.222 0.000 2.282 360 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 360 L C -0.067 176.760 176.870 -0.072 0.000 1.033 360 L CA -1.067 53.673 54.840 -0.166 0.000 0.807 360 L CB 0.818 42.736 42.059 -0.235 0.000 1.209 360 L HN 0.583 nan 8.230 nan 0.000 0.423 361 F N 5.337 125.214 119.950 -0.122 0.000 2.472 361 F HA 0.429 4.956 4.527 -0.000 0.000 0.364 361 F C -0.223 175.539 175.800 -0.064 0.000 1.090 361 F CA -0.210 57.739 58.000 -0.085 0.000 1.188 361 F CB 0.294 39.252 39.000 -0.069 0.000 1.105 361 F HN 0.221 nan 8.300 nan 0.000 0.536 362 I N 6.255 126.338 120.570 -0.812 0.000 2.420 362 I HA 0.147 4.317 4.170 -0.000 0.000 0.282 362 I C -0.288 175.283 176.117 -0.909 0.000 1.019 362 I CA -0.778 60.139 61.300 -0.638 0.000 1.130 362 I CB 1.491 39.319 38.000 -0.287 0.000 1.262 362 I HN 0.593 nan 8.210 nan 0.000 0.454 363 E N 6.981 126.656 120.200 -0.875 0.000 2.493 363 E HA -0.061 4.289 4.350 -0.000 0.000 0.255 363 E C 0.292 176.760 176.600 -0.220 0.000 0.999 363 E CA 0.420 56.513 56.400 -0.512 0.000 0.934 363 E CB 0.228 29.871 29.700 -0.095 0.000 0.940 363 E HN 0.569 nan 8.360 nan 0.000 0.473 364 N N 3.271 121.883 118.700 -0.147 0.000 2.778 364 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 364 N C 0.700 176.182 175.510 -0.047 0.000 1.069 364 N CA 1.124 54.145 53.050 -0.048 0.000 0.831 364 N CB -1.506 36.984 38.487 0.005 0.000 1.142 364 N HN 0.867 nan 8.380 nan 0.000 0.573 365 G N 0.068 108.802 108.800 -0.109 0.000 2.212 365 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.267 365 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.267 365 G C 0.147 175.058 174.900 0.019 0.000 1.002 365 G CA 0.923 45.990 45.100 -0.054 0.000 0.729 365 G HN 0.607 nan 8.290 nan 0.000 0.517 366 R N 0.367 120.888 120.500 0.035 0.000 2.220 366 R HA 0.591 4.930 4.340 -0.000 0.000 0.340 366 R C 0.210 176.590 176.300 0.133 0.000 1.076 366 R CA -0.746 55.417 56.100 0.105 0.000 0.920 366 R CB -0.118 30.267 30.300 0.141 0.000 1.062 366 R HN 0.273 nan 8.270 nan 0.000 0.469 367 I N 6.333 126.970 120.570 0.113 0.000 2.307 367 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 367 I C -0.758 175.378 176.117 0.031 0.000 1.021 367 I CA -0.628 60.732 61.300 0.100 0.000 1.224 367 I CB 0.863 38.957 38.000 0.157 0.000 1.376 367 I HN 0.457 nan 8.210 nan 0.000 0.470 368 L N 5.912 127.080 121.223 -0.091 0.000 2.622 368 L HA 0.501 4.841 4.340 -0.000 0.000 0.258 368 L C -1.513 175.086 176.870 -0.453 0.000 0.996 368 L CA -0.465 54.202 54.840 -0.289 0.000 0.858 368 L CB 2.292 44.078 42.059 -0.454 0.000 1.449 368 L HN 0.269 nan 8.230 nan 0.000 0.411 369 D N 1.953 122.146 120.400 -0.344 0.000 2.295 369 D HA 0.338 4.978 4.640 -0.000 0.000 0.248 369 D C -1.199 174.893 176.300 -0.346 0.000 1.154 369 D CA 0.619 54.479 54.000 -0.234 0.000 0.857 369 D CB 0.499 41.242 40.800 -0.094 0.000 1.117 369 D HN 0.235 nan 8.370 nan 0.000 0.468 370 Y N 1.625 121.947 120.300 0.037 0.000 2.457 370 Y HA 0.339 4.889 4.550 -0.000 0.000 0.333 370 Y C -1.791 174.126 175.900 0.029 0.000 1.119 370 Y CA -2.683 55.438 58.100 0.034 0.000 1.143 370 Y CB 0.811 39.291 38.460 0.033 0.000 1.230 370 Y HN 0.186 nan 8.280 nan 0.000 0.469 371 P HA 0.082 nan 4.420 nan 0.000 0.260 371 P C -0.002 177.360 177.300 0.103 0.000 1.185 371 P CA 1.679 64.846 63.100 0.112 0.000 0.763 371 P CB 0.486 32.243 31.700 0.095 0.000 0.776 372 A N 3.543 126.409 122.820 0.076 0.000 3.396 372 A HA -0.258 4.062 4.320 -0.000 0.000 0.267 372 A C 0.524 178.152 177.584 0.073 0.000 1.139 372 A CA 1.108 53.182 52.037 0.062 0.000 1.115 372 A CB -2.052 16.978 19.000 0.050 0.000 1.133 372 A HN 0.634 nan 8.150 nan 0.000 0.920 373 R N -0.688 119.876 120.500 0.107 0.000 2.687 373 R HA 0.267 4.607 4.340 -0.000 0.000 0.264 373 R C -3.004 173.372 176.300 0.126 0.000 1.715 373 R CA -1.041 55.132 56.100 0.122 0.000 1.633 373 R CB 1.525 31.921 30.300 0.161 0.000 1.353 373 R HN 0.311 nan 8.270 nan 0.000 0.653 374 P HA 0.043 nan 4.420 nan 0.000 0.241 374 P C 0.750 178.077 177.300 0.045 0.000 1.760 374 P CA 0.047 63.173 63.100 0.043 0.000 1.081 374 P CB 0.156 31.877 31.700 0.035 0.000 1.975 375 L N 0.794 122.052 121.223 0.059 0.000 2.046 375 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 375 L C 2.653 179.559 176.870 0.060 0.000 1.077 375 L CA 1.695 56.571 54.840 0.060 0.000 0.747 375 L CB -0.837 41.280 42.059 0.097 0.000 0.896 375 L HN 0.199 nan 8.230 nan 0.000 0.432 376 K N -0.240 120.188 120.400 0.047 0.000 2.062 376 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 376 K C 2.074 178.743 176.600 0.116 0.000 1.051 376 K CA 1.602 57.944 56.287 0.092 0.000 0.941 376 K CB 0.043 32.565 32.500 0.036 0.000 0.719 376 K HN 0.162 nan 8.250 nan 0.000 0.440 377 T N -0.122 114.475 114.554 0.071 0.000 2.777 377 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 377 T C 1.723 176.473 174.700 0.082 0.000 1.040 377 T CA 1.266 63.410 62.100 0.074 0.000 1.141 377 T CB -0.461 68.433 68.868 0.045 0.000 0.868 377 T HN 0.504 nan 8.240 nan 0.000 0.444 378 G N 1.466 110.302 108.800 0.061 0.000 2.469 378 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 378 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 378 G C 1.471 176.395 174.900 0.040 0.000 1.150 378 G CA 0.605 45.729 45.100 0.040 0.000 0.763 378 G HN 0.443 nan 8.290 nan 0.000 0.561 379 L N -0.476 120.784 121.223 0.061 0.000 2.141 379 L HA 0.038 4.378 4.340 -0.000 0.000 0.209 379 L C 2.646 179.642 176.870 0.210 0.000 1.094 379 L CA 0.246 55.111 54.840 0.041 0.000 0.763 379 L CB -0.304 41.793 42.059 0.063 0.000 0.908 379 L HN 0.225 nan 8.230 nan 0.000 0.437 380 L N -0.281 121.112 121.223 0.282 0.000 2.056 380 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 380 L C 2.542 179.527 176.870 0.191 0.000 1.078 380 L CA 1.771 56.788 54.840 0.296 0.000 0.749 380 L CB -0.581 41.605 42.059 0.213 0.000 0.901 380 L HN 0.146 nan 8.230 nan 0.000 0.433 381 E N -0.101 120.178 120.200 0.132 0.000 2.110 381 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 381 E C 2.359 179.023 176.600 0.107 0.000 0.988 381 E CA 1.649 58.108 56.400 0.099 0.000 0.804 381 E CB -0.305 29.437 29.700 0.070 0.000 0.745 381 E HN 0.591 nan 8.360 nan 0.000 0.458 382 I N 0.855 121.491 120.570 0.111 0.000 2.286 382 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 382 I C 2.416 178.668 176.117 0.225 0.000 1.104 382 I CA 0.888 62.265 61.300 0.128 0.000 1.397 382 I CB -0.268 37.752 38.000 0.035 0.000 1.072 382 I HN -0.011 nan 8.210 nan 0.000 0.417 383 A N 0.964 123.941 122.820 0.262 0.000 1.940 383 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 383 A C 2.281 179.923 177.584 0.097 0.000 1.176 383 A CA 1.664 53.790 52.037 0.148 0.000 0.631 383 A CB -0.461 18.639 19.000 0.168 0.000 0.814 383 A HN 0.339 nan 8.150 nan 0.000 0.446 384 K N -0.374 120.095 120.400 0.115 0.000 2.147 384 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 384 K C 1.657 178.301 176.600 0.073 0.000 1.049 384 K CA 1.675 58.010 56.287 0.081 0.000 0.936 384 K CB -0.365 32.181 32.500 0.078 0.000 0.722 384 K HN 0.840 nan 8.250 nan 0.000 0.446 385 I N -2.402 118.228 120.570 0.101 0.000 3.956 385 I HA 0.133 4.303 4.170 -0.000 0.000 0.333 385 I C 0.474 176.677 176.117 0.142 0.000 1.302 385 I CA -0.484 60.875 61.300 0.098 0.000 1.122 385 I CB -0.104 37.952 38.000 0.094 0.000 1.013 385 I HN -0.087 nan 8.210 nan 0.000 0.405 386 H N 2.706 121.805 119.070 0.047 0.000 2.722 386 H HA 0.226 4.782 4.556 -0.000 0.000 0.328 386 H C 1.059 176.400 175.328 0.022 0.000 1.067 386 H CA 0.169 56.252 56.048 0.058 0.000 1.447 386 H CB 1.161 30.984 29.762 0.101 0.000 1.469 386 H HN 0.060 nan 8.280 nan 0.000 0.544 387 K N 3.100 123.266 120.400 -0.390 0.000 1.967 387 K HA -0.036 4.284 4.320 -0.000 0.000 0.212 387 K C 1.189 177.453 176.600 -0.560 0.000 1.044 387 K CA 1.175 57.245 56.287 -0.360 0.000 0.942 387 K CB -0.441 31.974 32.500 -0.142 0.000 0.726 387 K HN 0.806 nan 8.250 nan 0.000 0.440 388 G N 0.725 109.006 108.800 -0.866 0.000 2.679 388 G HA2 0.052 4.012 3.960 -0.000 0.000 0.202 388 G HA3 0.052 4.012 3.960 -0.000 0.000 0.202 388 G C -0.397 174.296 174.900 -0.344 0.000 1.566 388 G CA 0.274 45.130 45.100 -0.406 0.000 1.074 388 G HN 0.510 nan 8.290 nan 0.000 0.564 389 D N -1.879 118.525 120.400 0.006 0.000 2.689 389 D HA 0.608 5.248 4.640 -0.000 0.000 0.255 389 D C -0.982 175.480 176.300 0.269 0.000 1.113 389 D CA -0.766 53.240 54.000 0.009 0.000 1.115 389 D CB 0.697 41.476 40.800 -0.035 0.000 1.334 389 D HN 0.134 nan 8.370 nan 0.000 0.621 390 F N -0.866 119.088 119.950 0.007 0.000 2.523 390 F HA 0.590 5.117 4.527 -0.000 0.000 0.329 390 F C 0.329 176.072 175.800 -0.094 0.000 1.061 390 F CA -1.128 56.806 58.000 -0.110 0.000 0.967 390 F CB 1.400 40.251 39.000 -0.248 0.000 1.218 390 F HN 0.055 nan 8.300 nan 0.000 0.480 391 R N 1.943 122.479 120.500 0.060 0.000 2.502 391 R HA 0.539 4.879 4.340 -0.000 0.000 0.300 391 R C -1.218 175.070 176.300 -0.020 0.000 0.984 391 R CA -0.630 55.461 56.100 -0.014 0.000 0.882 391 R CB 2.230 32.455 30.300 -0.125 0.000 1.180 391 R HN 0.512 nan 8.270 nan 0.000 0.444 392 I N 3.076 123.673 120.570 0.044 0.000 2.352 392 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 392 I C 1.208 177.332 176.117 0.011 0.000 1.036 392 I CA -0.132 61.195 61.300 0.046 0.000 1.336 392 I CB 1.327 39.405 38.000 0.131 0.000 1.407 392 I HN 0.624 nan 8.210 nan 0.000 0.497 393 T N 2.514 117.056 114.554 -0.020 0.000 2.847 393 T HA 0.426 4.776 4.350 -0.000 0.000 0.279 393 T C 1.014 175.706 174.700 -0.012 0.000 0.984 393 T CA -0.434 61.651 62.100 -0.024 0.000 0.988 393 T CB 1.757 70.598 68.868 -0.045 0.000 1.040 393 T HN 0.630 nan 8.240 nan 0.000 0.528 394 A N 0.960 123.772 122.820 -0.014 0.000 2.235 394 A HA 0.109 4.429 4.320 -0.000 0.000 0.208 394 A C 1.663 179.238 177.584 -0.015 0.000 1.172 394 A CA 0.181 52.209 52.037 -0.015 0.000 0.786 394 A CB -0.657 18.330 19.000 -0.022 0.000 0.804 394 A HN 0.810 nan 8.150 nan 0.000 0.479 395 N N 0.066 118.758 118.700 -0.014 0.000 2.238 395 N HA 0.100 4.840 4.740 -0.000 0.000 0.222 395 N C -0.547 174.955 175.510 -0.014 0.000 1.133 395 N CA 0.127 53.175 53.050 -0.003 0.000 0.854 395 N CB 0.356 38.849 38.487 0.010 0.000 1.041 395 N HN 0.526 nan 8.380 nan 0.000 0.510 396 Q N -0.534 119.252 119.800 -0.022 0.000 2.494 396 Q HA -0.163 4.177 4.340 -0.000 0.000 0.272 396 Q C -0.677 175.278 176.000 -0.076 0.000 1.145 396 Q CA 0.723 56.505 55.803 -0.034 0.000 0.943 396 Q CB -1.290 27.428 28.738 -0.034 0.000 1.338 396 Q HN 0.358 nan 8.270 nan 0.000 0.492 397 N N -0.117 118.539 118.700 -0.074 0.000 2.815 397 N HA 0.781 5.521 4.740 -0.000 0.000 0.315 397 N C -1.106 174.333 175.510 -0.119 0.000 1.320 397 N CA -0.697 52.283 53.050 -0.116 0.000 0.846 397 N CB 1.132 39.568 38.487 -0.085 0.000 1.344 397 N HN 0.084 nan 8.380 nan 0.000 0.593 398 L N 0.671 121.784 121.223 -0.183 0.000 2.410 398 L HA 0.585 4.925 4.340 -0.000 0.000 0.270 398 L C -1.329 175.354 176.870 -0.311 0.000 0.983 398 L CA -0.362 54.321 54.840 -0.261 0.000 0.822 398 L CB 1.309 43.129 42.059 -0.399 0.000 1.285 398 L HN 0.446 nan 8.230 nan 0.000 0.409 399 I N 5.827 126.228 120.570 -0.282 0.000 2.354 399 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 399 I C -0.391 175.553 176.117 -0.289 0.000 0.989 399 I CA -0.489 60.653 61.300 -0.263 0.000 1.188 399 I CB 1.548 39.426 38.000 -0.203 0.000 1.342 399 I HN 0.478 nan 8.210 nan 0.000 0.457 400 I N 6.344 126.708 120.570 -0.343 0.000 2.269 400 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 400 I C 0.637 176.725 176.117 -0.049 0.000 1.106 400 I CA -0.028 61.077 61.300 -0.325 0.000 1.248 400 I CB 0.645 38.333 38.000 -0.521 0.000 1.444 400 I HN 0.613 nan 8.210 nan 0.000 0.497 401 A N 4.592 127.517 122.820 0.175 0.000 2.310 401 A HA 0.652 4.972 4.320 -0.000 0.000 0.299 401 A C 0.998 178.898 177.584 0.526 0.000 1.147 401 A CA 0.103 52.340 52.037 0.334 0.000 0.818 401 A CB 0.609 19.631 19.000 0.038 0.000 1.096 401 A HN 1.038 nan 8.150 nan 0.000 0.495 402 G N 0.852 110.005 108.800 0.588 0.000 2.324 402 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.292 402 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.292 402 G C -0.123 175.006 174.900 0.381 0.000 1.079 402 G CA 0.103 45.424 45.100 0.368 0.000 1.026 402 G HN 1.310 nan 8.290 nan 0.000 0.506 403 V N 1.273 121.451 119.914 0.440 0.000 2.406 403 V HA 0.349 4.469 4.120 -0.000 0.000 0.272 403 V C -1.343 174.933 176.094 0.304 0.000 1.043 403 V CA -1.486 61.073 62.300 0.431 0.000 0.915 403 V CB 1.591 33.723 31.823 0.514 0.000 0.988 403 V HN 0.227 nan 8.190 nan 0.000 0.466 404 P HA 0.108 nan 4.420 nan 0.000 0.271 404 P C 0.983 178.344 177.300 0.102 0.000 1.218 404 P CA -0.112 63.081 63.100 0.154 0.000 0.780 404 P CB 0.748 32.505 31.700 0.095 0.000 0.901 405 E N 1.379 121.651 120.200 0.119 0.000 2.114 405 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 405 E C 1.637 178.140 176.600 -0.160 0.000 1.008 405 E CA 2.160 58.506 56.400 -0.090 0.000 0.810 405 E CB -0.166 29.551 29.700 0.028 0.000 0.739 405 E HN 0.536 nan 8.360 nan 0.000 0.456 406 S N 0.435 116.099 115.700 -0.059 0.000 2.419 406 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 406 S C 1.500 176.066 174.600 -0.055 0.000 1.016 406 S CA 0.844 59.010 58.200 -0.057 0.000 0.974 406 S CB -0.010 63.180 63.200 -0.017 0.000 0.786 406 S HN 0.183 nan 8.310 nan 0.000 0.492 407 E N 1.339 121.521 120.200 -0.030 0.000 2.447 407 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 407 E C 1.642 178.236 176.600 -0.009 0.000 1.028 407 E CA 0.127 56.536 56.400 0.015 0.000 0.876 407 E CB -0.161 29.598 29.700 0.097 0.000 0.885 407 E HN 0.616 nan 8.360 nan 0.000 0.500 408 K N 1.300 121.597 120.400 -0.172 0.000 2.034 408 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 408 K C 2.166 178.684 176.600 -0.137 0.000 1.051 408 K CA 1.802 57.873 56.287 -0.361 0.000 0.931 408 K CB -0.235 31.667 32.500 -0.996 0.000 0.715 408 K HN 0.073 nan 8.250 nan 0.000 0.446 409 A N 1.548 124.272 122.820 -0.160 0.000 1.908 409 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 409 A C 2.080 179.669 177.584 0.008 0.000 1.181 409 A CA 1.915 53.908 52.037 -0.074 0.000 0.627 409 A CB -0.434 18.512 19.000 -0.090 0.000 0.818 409 A HN 0.267 nan 8.150 nan 0.000 0.445 410 K N -0.584 119.828 120.400 0.019 0.000 2.026 410 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 410 K C 1.836 178.481 176.600 0.075 0.000 1.048 410 K CA 1.434 57.748 56.287 0.043 0.000 0.929 410 K CB -0.213 32.314 32.500 0.044 0.000 0.713 410 K HN 0.391 nan 8.250 nan 0.000 0.439 411 I N 1.505 122.146 120.570 0.118 0.000 2.179 411 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 411 I C 2.375 178.566 176.117 0.125 0.000 1.088 411 I CA 1.541 62.921 61.300 0.134 0.000 1.357 411 I CB -1.170 36.964 38.000 0.223 0.000 1.051 411 I HN 0.405 nan 8.210 nan 0.000 0.409 412 E N 1.236 121.567 120.200 0.219 0.000 2.160 412 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 412 E C 2.251 178.903 176.600 0.087 0.000 0.991 412 E CA 1.362 57.879 56.400 0.195 0.000 0.810 412 E CB 0.044 29.919 29.700 0.293 0.000 0.742 412 E HN 0.344 nan 8.360 nan 0.000 0.466 413 K N 0.356 120.795 120.400 0.066 0.000 2.026 413 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 413 K C 2.127 178.745 176.600 0.030 0.000 1.048 413 K CA 1.590 57.901 56.287 0.040 0.000 0.929 413 K CB -0.098 32.420 32.500 0.031 0.000 0.713 413 K HN 0.174 nan 8.250 nan 0.000 0.439 414 I N 0.799 121.387 120.570 0.030 0.000 2.142 414 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 414 I C 2.536 178.654 176.117 0.002 0.000 1.078 414 I CA 1.216 62.528 61.300 0.020 0.000 1.343 414 I CB -0.504 37.510 38.000 0.024 0.000 1.046 414 I HN 0.238 nan 8.210 nan 0.000 0.405 415 A N 0.796 123.605 122.820 -0.018 0.000 1.908 415 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 415 A C 2.285 179.855 177.584 -0.024 0.000 1.181 415 A CA 2.181 54.188 52.037 -0.051 0.000 0.627 415 A CB -0.509 18.430 19.000 -0.103 0.000 0.818 415 A HN 0.263 nan 8.150 nan 0.000 0.445 416 K N 0.111 120.509 120.400 -0.002 0.000 2.026 416 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 416 K C 1.866 178.474 176.600 0.013 0.000 1.048 416 K CA 1.994 58.287 56.287 0.009 0.000 0.929 416 K CB -0.273 32.241 32.500 0.022 0.000 0.713 416 K HN 0.632 nan 8.250 nan 0.000 0.439 417 E N -0.628 119.581 120.200 0.015 0.000 2.208 417 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 417 E C 1.555 178.168 176.600 0.022 0.000 0.988 417 E CA 0.995 57.406 56.400 0.019 0.000 0.828 417 E CB 0.144 29.856 29.700 0.020 0.000 0.763 417 E HN 0.182 nan 8.360 nan 0.000 0.478 418 S N -0.616 115.096 115.700 0.019 0.000 2.561 418 S HA 0.069 4.539 4.470 -0.000 0.000 0.225 418 S C 1.418 176.038 174.600 0.034 0.000 0.977 418 S CA 0.589 58.804 58.200 0.025 0.000 0.926 418 S CB 0.516 63.726 63.200 0.017 0.000 0.769 418 S HN 0.524 nan 8.310 nan 0.000 0.533 419 G N 1.066 109.883 108.800 0.028 0.000 2.176 419 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 419 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 419 G C 0.645 175.564 174.900 0.032 0.000 0.979 419 G CA 0.325 45.447 45.100 0.036 0.000 0.641 419 G HN 0.494 nan 8.290 nan 0.000 0.530 420 L N -0.570 120.657 121.223 0.006 0.000 2.376 420 L HA 0.281 4.621 4.340 -0.000 0.000 0.219 420 L C 2.479 179.338 176.870 -0.018 0.000 1.133 420 L CA 1.053 55.881 54.840 -0.020 0.000 0.816 420 L CB -0.115 41.901 42.059 -0.072 0.000 0.933 420 L HN 0.364 nan 8.230 nan 0.000 0.449 421 M N -0.912 118.680 119.600 -0.012 0.000 2.576 421 M HA 0.148 4.628 4.480 -0.000 0.000 0.322 421 M C -0.339 175.967 176.300 0.010 0.000 1.184 421 M CA -0.299 54.992 55.300 -0.014 0.000 0.967 421 M CB 0.225 32.805 32.600 -0.033 0.000 1.372 421 M HN 0.027 nan 8.290 nan 0.000 0.509 422 N N 2.339 121.058 118.700 0.031 0.000 2.452 422 N HA 0.201 4.941 4.740 -0.000 0.000 0.266 422 N C -0.166 175.353 175.510 0.016 0.000 1.209 422 N CA 0.189 53.255 53.050 0.027 0.000 0.929 422 N CB 0.801 39.313 38.487 0.041 0.000 1.063 422 N HN 0.262 nan 8.380 nan 0.000 0.472 423 A N 2.099 124.912 122.820 -0.012 0.000 2.511 423 A HA 0.379 4.699 4.320 -0.000 0.000 0.242 423 A C 0.521 178.055 177.584 -0.083 0.000 1.069 423 A CA -0.313 51.697 52.037 -0.046 0.000 0.763 423 A CB 0.048 19.026 19.000 -0.038 0.000 1.001 423 A HN 0.515 nan 8.150 nan 0.000 0.498 424 V N 0.159 119.973 119.914 -0.165 0.000 3.126 424 V HA 0.876 4.996 4.120 -0.000 0.000 0.314 424 V C 0.285 176.246 176.094 -0.223 0.000 1.138 424 V CA -0.242 61.916 62.300 -0.236 0.000 1.034 424 V CB 1.181 32.719 31.823 -0.475 0.000 1.075 424 V HN 1.204 nan 8.190 nan 0.000 0.442 425 T N -1.289 113.145 114.554 -0.199 0.000 2.860 425 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 425 T C -1.806 172.794 174.700 -0.166 0.000 1.045 425 T CA -0.983 61.031 62.100 -0.143 0.000 1.071 425 T CB 0.838 69.642 68.868 -0.105 0.000 0.985 425 T HN 0.612 nan 8.240 nan 0.000 0.537 426 P HA -0.113 nan 4.420 nan 0.000 0.218 426 P C 1.729 178.990 177.300 -0.064 0.000 1.148 426 P CA 0.789 63.843 63.100 -0.078 0.000 0.822 426 P CB 0.074 31.788 31.700 0.025 0.000 0.784 427 Q N 0.228 120.011 119.800 -0.028 0.000 2.020 427 Q HA -0.180 4.159 4.340 -0.000 0.000 0.202 427 Q C 2.330 178.284 176.000 -0.077 0.000 0.982 427 Q CA 1.798 57.591 55.803 -0.017 0.000 0.838 427 Q CB -0.788 27.926 28.738 -0.040 0.000 0.899 427 Q HN 0.001 nan 8.270 nan 0.000 0.423 428 R N -0.118 120.292 120.500 -0.149 0.000 2.096 428 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 428 R C 1.967 178.134 176.300 -0.222 0.000 1.127 428 R CA 1.654 57.648 56.100 -0.176 0.000 0.968 428 R CB -0.075 30.064 30.300 -0.269 0.000 0.861 428 R HN 0.413 nan 8.270 nan 0.000 0.440 429 E N -0.327 119.662 120.200 -0.352 0.000 2.204 429 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 429 E C 0.441 177.013 176.600 -0.046 0.000 0.990 429 E CA 1.090 57.327 56.400 -0.272 0.000 0.821 429 E CB 0.022 29.560 29.700 -0.271 0.000 0.750 429 E HN 0.434 nan 8.360 nan 0.000 0.477 430 N N -0.097 118.564 118.700 -0.065 0.000 2.321 430 N HA 0.098 4.838 4.740 -0.000 0.000 0.242 430 N C -1.233 174.301 175.510 0.040 0.000 1.141 430 N CA -0.097 52.938 53.050 -0.025 0.000 0.864 430 N CB 1.132 39.567 38.487 -0.086 0.000 1.100 430 N HN -0.155 nan 8.380 nan 0.000 0.510 431 S N 0.550 116.290 115.700 0.066 0.000 2.532 431 S HA 0.621 5.091 4.470 -0.000 0.000 0.301 431 S C -0.689 173.974 174.600 0.105 0.000 1.083 431 S CA -0.663 57.587 58.200 0.084 0.000 1.025 431 S CB 2.006 65.254 63.200 0.081 0.000 1.056 431 S HN 0.185 nan 8.310 nan 0.000 0.494 432 M N 2.066 121.719 119.600 0.089 0.000 2.520 432 M HA 0.748 5.228 4.480 -0.000 0.000 0.283 432 M C -2.057 174.285 176.300 0.070 0.000 1.237 432 M CA -0.418 54.926 55.300 0.073 0.000 0.885 432 M CB 1.858 34.487 32.600 0.048 0.000 1.727 432 M HN 0.786 nan 8.290 nan 0.000 0.468 433 A N 1.721 124.578 122.820 0.062 0.000 2.556 433 A HA 0.791 5.111 4.320 -0.000 0.000 0.294 433 A C -0.765 176.842 177.584 0.037 0.000 1.091 433 A CA -0.703 51.371 52.037 0.062 0.000 0.704 433 A CB 0.669 19.728 19.000 0.098 0.000 1.300 433 A HN 1.238 nan 8.150 nan 0.000 0.406 434 C N -0.007 119.308 119.300 0.024 0.000 2.396 434 C HA 0.650 5.110 4.460 -0.000 0.000 0.359 434 C C 1.733 176.723 174.990 0.000 0.000 1.307 434 C CA -0.010 59.010 59.018 0.003 0.000 2.392 434 C CB -0.144 27.586 27.740 -0.018 0.000 2.245 434 C HN 0.765 nan 8.230 nan 0.000 0.615 435 V N 1.366 121.273 119.914 -0.013 0.000 2.233 435 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 435 V C 1.965 178.014 176.094 -0.074 0.000 1.050 435 V CA 2.628 64.906 62.300 -0.037 0.000 1.010 435 V CB -1.375 30.434 31.823 -0.024 0.000 0.637 435 V HN 1.378 nan 8.190 nan 0.000 0.444 436 S N -1.605 114.023 115.700 -0.120 0.000 3.330 436 S HA -0.255 4.215 4.470 -0.000 0.000 0.630 436 S C -0.192 174.265 174.600 -0.238 0.000 2.776 436 S CA 0.813 58.867 58.200 -0.244 0.000 3.494 436 S CB -1.348 61.736 63.200 -0.192 0.000 0.291 436 S HN 0.309 nan 8.310 nan 0.000 1.451 437 F N 3.432 123.370 119.950 -0.020 0.000 2.545 437 F HA 0.292 4.819 4.527 0.000 0.000 0.348 437 F C -0.314 175.453 175.800 -0.055 0.000 1.163 437 F CA -0.659 57.327 58.000 -0.023 0.000 1.331 437 F CB -0.092 38.909 39.000 0.001 0.000 1.138 437 F HN 0.377 nan 8.300 nan 0.000 0.602 438 P HA -0.012 nan 4.420 nan 0.000 0.251 438 P C 0.899 178.282 177.300 0.139 0.000 1.223 438 P CA 0.976 64.201 63.100 0.208 0.000 0.796 438 P CB -0.028 31.783 31.700 0.184 0.000 1.068 439 T N -3.689 110.848 114.554 -0.029 0.000 3.044 439 T HA 0.037 4.387 4.350 -0.000 0.000 0.255 439 T C 1.059 175.763 174.700 0.006 0.000 1.073 439 T CA -0.076 62.008 62.100 -0.026 0.000 1.125 439 T CB -1.239 67.516 68.868 -0.188 0.000 0.908 439 T HN 0.045 nan 8.240 nan 0.000 0.480 440 C N 5.346 124.612 119.300 -0.056 0.000 2.627 440 C HA 0.381 4.841 4.460 -0.000 0.000 0.404 440 C C -0.473 174.481 174.990 -0.059 0.000 1.340 440 C CA -1.835 57.140 59.018 -0.072 0.000 1.758 440 C CB 0.608 28.259 27.740 -0.148 0.000 2.501 440 C HN 0.405 nan 8.230 nan 0.000 0.588 441 P HA -0.037 nan 4.420 nan 0.000 0.233 441 P C 0.764 178.055 177.300 -0.014 0.000 1.167 441 P CA 1.239 64.348 63.100 0.015 0.000 0.770 441 P CB 0.089 31.807 31.700 0.030 0.000 0.837 442 L N -1.335 119.849 121.223 -0.064 0.000 2.640 442 L HA 0.319 4.659 4.340 -0.000 0.000 0.230 442 L C 1.177 177.962 176.870 -0.141 0.000 1.123 442 L CA -0.500 54.297 54.840 -0.071 0.000 0.900 442 L CB -0.385 41.639 42.059 -0.058 0.000 1.146 442 L HN -0.178 nan 8.230 nan 0.000 0.484 443 A N 0.326 122.968 122.820 -0.297 0.000 2.540 443 A HA 0.214 4.534 4.320 -0.000 0.000 0.239 443 A C 0.985 178.346 177.584 -0.372 0.000 1.061 443 A CA 0.402 52.084 52.037 -0.591 0.000 0.758 443 A CB 0.413 18.544 19.000 -1.448 0.000 0.991 443 A HN 0.356 nan 8.150 nan 0.000 0.502 444 M N 1.235 120.704 119.600 -0.219 0.000 2.638 444 M HA 0.288 4.768 4.480 -0.000 0.000 0.256 444 M C 0.704 177.058 176.300 0.089 0.000 1.282 444 M CA 1.099 56.404 55.300 0.008 0.000 1.155 444 M CB 0.443 33.044 32.600 0.003 0.000 1.345 444 M HN 0.797 nan 8.290 nan 0.000 0.523 445 A N 0.145 122.951 122.820 -0.024 0.000 2.556 445 A HA 0.572 4.892 4.320 -0.000 0.000 0.294 445 A C -0.880 176.772 177.584 0.113 0.000 1.091 445 A CA -0.825 51.209 52.037 -0.004 0.000 0.704 445 A CB 1.223 19.884 19.000 -0.565 0.000 1.300 445 A HN 0.112 nan 8.150 nan 0.000 0.406 446 E N -0.019 120.335 120.200 0.257 0.000 2.415 446 E HA 0.369 4.719 4.350 -0.000 0.000 0.262 446 E C 0.737 177.456 176.600 0.198 0.000 1.038 446 E CA 0.765 57.347 56.400 0.303 0.000 0.921 446 E CB 1.483 31.365 29.700 0.303 0.000 0.950 446 E HN 0.752 nan 8.360 nan 0.000 0.438 447 A N 2.632 125.562 122.820 0.183 0.000 1.848 447 A HA -0.013 4.307 4.320 -0.000 0.000 0.184 447 A C 1.807 179.513 177.584 0.203 0.000 1.946 447 A CA 0.545 52.689 52.037 0.179 0.000 1.093 447 A CB -0.373 18.677 19.000 0.085 0.000 1.014 447 A HN 0.635 nan 8.150 nan 0.000 0.638 448 E N 0.503 120.777 120.200 0.124 0.000 2.070 448 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 448 E C 1.884 178.563 176.600 0.132 0.000 1.004 448 E CA 1.636 58.098 56.400 0.103 0.000 0.805 448 E CB -0.166 29.565 29.700 0.051 0.000 0.744 448 E HN 0.493 nan 8.360 nan 0.000 0.451 449 R N -0.865 119.731 120.500 0.160 0.000 2.280 449 R HA -0.055 4.285 4.340 -0.000 0.000 0.207 449 R C 1.979 178.414 176.300 0.224 0.000 1.043 449 R CA 0.857 57.056 56.100 0.165 0.000 1.006 449 R CB -0.149 30.247 30.300 0.160 0.000 0.885 449 R HN 0.312 nan 8.270 nan 0.000 0.467 450 F N 0.404 120.407 119.950 0.088 0.000 2.505 450 F HA 0.050 4.577 4.527 0.000 0.000 0.289 450 F C 1.789 177.646 175.800 0.095 0.000 1.101 450 F CA 0.141 58.192 58.000 0.085 0.000 1.446 450 F CB -0.048 38.997 39.000 0.076 0.000 1.123 450 F HN -0.161 nan 8.300 nan 0.000 0.564 451 L N 1.808 123.093 121.223 0.104 0.000 2.013 451 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 451 L C -0.849 176.007 176.870 -0.022 0.000 1.073 451 L CA 2.349 57.202 54.840 0.022 0.000 0.753 451 L CB -1.740 40.391 42.059 0.120 0.000 0.890 451 L HN 0.005 nan 8.230 nan 0.000 0.432 452 P HA -0.187 nan 4.420 nan 0.000 0.214 452 P C 1.880 179.142 177.300 -0.062 0.000 1.163 452 P CA 2.395 65.485 63.100 -0.016 0.000 0.889 452 P CB -0.234 31.459 31.700 -0.011 0.000 0.790 453 S N -1.881 113.769 115.700 -0.083 0.000 2.428 453 S HA -0.138 4.332 4.470 -0.000 0.000 0.230 453 S C 1.877 176.390 174.600 -0.145 0.000 1.014 453 S CA 0.557 58.701 58.200 -0.093 0.000 0.957 453 S CB -1.648 61.520 63.200 -0.053 0.000 0.784 453 S HN 0.030 nan 8.310 nan 0.000 0.499 454 F N 2.914 122.585 119.950 -0.466 0.000 2.146 454 F HA 0.075 4.602 4.527 0.000 0.000 0.298 454 F C 1.858 177.486 175.800 -0.287 0.000 1.096 454 F CA 0.842 58.511 58.000 -0.551 0.000 1.275 454 F CB -0.319 38.030 39.000 -1.084 0.000 1.008 454 F HN 0.086 nan 8.300 nan 0.000 0.480 455 I N 0.476 120.882 120.570 -0.273 0.000 2.493 455 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 455 I C 1.875 177.845 176.117 -0.245 0.000 1.160 455 I CA 1.049 62.172 61.300 -0.296 0.000 1.445 455 I CB -1.471 36.453 38.000 -0.126 0.000 1.086 455 I HN 0.138 nan 8.210 nan 0.000 0.433 456 D N 1.152 121.444 120.400 -0.181 0.000 2.123 456 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 456 D C 1.890 178.093 176.300 -0.161 0.000 0.992 456 D CA 1.069 54.987 54.000 -0.136 0.000 0.833 456 D CB -0.245 40.498 40.800 -0.095 0.000 0.954 456 D HN 0.325 nan 8.370 nan 0.000 0.455 457 N N 0.550 119.125 118.700 -0.207 0.000 2.142 457 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 457 N C 1.901 177.263 175.510 -0.247 0.000 1.023 457 N CA 0.462 53.393 53.050 -0.200 0.000 0.852 457 N CB -0.024 38.353 38.487 -0.184 0.000 0.998 457 N HN 0.198 nan 8.380 nan 0.000 0.424 458 I N 1.784 122.118 120.570 -0.393 0.000 2.252 458 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 458 I C 1.582 177.580 176.117 -0.198 0.000 1.102 458 I CA 1.197 62.285 61.300 -0.352 0.000 1.385 458 I CB -1.038 36.665 38.000 -0.496 0.000 1.064 458 I HN 0.011 nan 8.210 nan 0.000 0.414 459 D N 1.132 121.425 120.400 -0.178 0.000 2.123 459 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 459 D C 1.890 178.136 176.300 -0.090 0.000 0.992 459 D CA 1.048 54.979 54.000 -0.116 0.000 0.833 459 D CB -0.255 40.479 40.800 -0.110 0.000 0.954 459 D HN 0.285 nan 8.370 nan 0.000 0.455 460 N N 0.278 118.919 118.700 -0.098 0.000 2.120 460 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 460 N C 2.093 177.556 175.510 -0.078 0.000 1.024 460 N CA 0.404 53.405 53.050 -0.081 0.000 0.852 460 N CB -0.426 38.014 38.487 -0.079 0.000 1.003 460 N HN 0.264 nan 8.380 nan 0.000 0.424 461 L N 0.314 121.495 121.223 -0.069 0.000 2.046 461 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 461 L C 2.252 179.147 176.870 0.043 0.000 1.077 461 L CA 0.850 55.681 54.840 -0.016 0.000 0.747 461 L CB -0.340 41.730 42.059 0.018 0.000 0.896 461 L HN 0.151 nan 8.230 nan 0.000 0.432 462 M N -0.530 119.082 119.600 0.019 0.000 2.132 462 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 462 M C 2.571 178.885 176.300 0.023 0.000 1.065 462 M CA 1.870 57.203 55.300 0.056 0.000 1.122 462 M CB -1.231 31.384 32.600 0.025 0.000 1.365 462 M HN 0.289 nan 8.290 nan 0.000 0.411 463 A N 0.523 123.327 122.820 -0.026 0.000 1.873 463 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 463 A C 2.300 179.841 177.584 -0.073 0.000 1.186 463 A CA 1.965 53.975 52.037 -0.045 0.000 0.616 463 A CB -0.706 18.261 19.000 -0.054 0.000 0.823 463 A HN 0.520 nan 8.150 nan 0.000 0.442 464 K N -1.198 119.125 120.400 -0.128 0.000 2.152 464 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 464 K C 1.166 177.580 176.600 -0.309 0.000 1.048 464 K CA 1.669 57.812 56.287 -0.240 0.000 0.933 464 K CB -0.253 32.042 32.500 -0.341 0.000 0.721 464 K HN 0.617 nan 8.250 nan 0.000 0.447 465 H N -1.024 118.035 119.070 -0.019 0.000 2.529 465 H HA 0.149 4.704 4.556 -0.000 0.000 0.277 465 H C 0.771 176.066 175.328 -0.055 0.000 1.004 465 H CA 0.702 56.736 56.048 -0.024 0.000 1.167 465 H CB 0.796 30.560 29.762 0.004 0.000 1.445 465 H HN 0.533 nan 8.280 nan 0.000 0.554 466 G N 1.398 110.208 108.800 0.017 0.000 2.176 466 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 466 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 466 G C 0.707 175.581 174.900 -0.044 0.000 1.024 466 G CA 0.655 45.741 45.100 -0.022 0.000 0.755 466 G HN 0.443 nan 8.290 nan 0.000 0.507 467 V N -3.581 116.322 119.914 -0.019 0.000 2.909 467 V HA 0.544 4.664 4.120 -0.000 0.000 0.362 467 V C 1.558 177.657 176.094 0.008 0.000 1.356 467 V CA 0.907 63.181 62.300 -0.043 0.000 1.195 467 V CB 0.278 32.048 31.823 -0.088 0.000 1.256 467 V HN 0.163 nan 8.190 nan 0.000 0.567 468 S N 1.273 116.971 115.700 -0.004 0.000 2.442 468 S HA -0.130 4.340 4.470 -0.000 0.000 0.236 468 S C 1.372 175.976 174.600 0.006 0.000 1.007 468 S CA 1.834 60.032 58.200 -0.003 0.000 0.965 468 S CB -0.189 62.999 63.200 -0.020 0.000 0.773 468 S HN 0.745 nan 8.310 nan 0.000 0.504 469 D N 0.638 121.041 120.400 0.006 0.000 2.349 469 D HA 0.121 4.761 4.640 -0.000 0.000 0.215 469 D C 0.843 177.182 176.300 0.066 0.000 1.016 469 D CA 0.392 54.405 54.000 0.022 0.000 0.870 469 D CB 0.193 40.997 40.800 0.006 0.000 0.917 469 D HN 0.332 nan 8.370 nan 0.000 0.524 470 E N 0.725 120.971 120.200 0.078 0.000 2.330 470 E HA 0.229 4.579 4.350 -0.000 0.000 0.256 470 E C 0.416 177.142 176.600 0.210 0.000 1.146 470 E CA -0.308 56.177 56.400 0.143 0.000 0.945 470 E CB 1.287 31.077 29.700 0.150 0.000 1.182 470 E HN 0.323 nan 8.360 nan 0.000 0.480 471 H N -1.727 117.449 119.070 0.176 0.000 3.037 471 H HA 0.545 5.101 4.556 -0.000 0.000 0.355 471 H C -1.124 174.229 175.328 0.042 0.000 1.263 471 H CA -0.774 55.319 56.048 0.075 0.000 1.129 471 H CB 0.630 30.411 29.762 0.033 0.000 1.861 471 H HN 0.286 nan 8.280 nan 0.000 0.546 472 I N 2.089 122.650 120.570 -0.015 0.000 2.499 472 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 472 I C -0.091 176.039 176.117 0.021 0.000 1.048 472 I CA -1.244 59.965 61.300 -0.151 0.000 1.062 472 I CB 2.502 40.254 38.000 -0.413 0.000 1.238 472 I HN 0.299 nan 8.210 nan 0.000 0.426 473 V N 6.947 126.907 119.914 0.076 0.000 2.403 473 V HA 0.113 4.233 4.120 -0.000 0.000 0.265 473 V C 0.199 176.314 176.094 0.035 0.000 1.034 473 V CA 0.413 62.766 62.300 0.089 0.000 1.036 473 V CB 0.281 32.159 31.823 0.091 0.000 1.032 473 V HN 0.653 nan 8.190 nan 0.000 0.478 474 M N 6.808 126.430 119.600 0.037 0.000 2.243 474 M HA 0.597 5.077 4.480 -0.000 0.000 0.324 474 M C -0.554 175.793 176.300 0.079 0.000 1.031 474 M CA -0.371 54.959 55.300 0.050 0.000 0.949 474 M CB 1.342 33.970 32.600 0.048 0.000 1.615 474 M HN 0.564 nan 8.290 nan 0.000 0.430 475 R N 2.767 123.309 120.500 0.071 0.000 2.725 475 R HA 0.795 5.135 4.340 -0.000 0.000 0.277 475 R C -1.649 174.676 176.300 0.042 0.000 0.987 475 R CA -0.980 55.155 56.100 0.059 0.000 0.901 475 R CB 2.643 32.962 30.300 0.031 0.000 1.207 475 R HN 0.466 nan 8.270 nan 0.000 0.463 476 V N 1.015 120.954 119.914 0.041 0.000 2.487 476 V HA 0.438 4.558 4.120 -0.000 0.000 0.298 476 V C -0.358 175.757 176.094 0.034 0.000 1.028 476 V CA -0.643 61.663 62.300 0.010 0.000 0.860 476 V CB 1.888 33.720 31.823 0.016 0.000 0.991 476 V HN 0.762 nan 8.190 nan 0.000 0.427 477 T N 2.934 117.512 114.554 0.039 0.000 2.807 477 T HA 0.515 4.865 4.350 -0.000 0.000 0.279 477 T C 1.206 175.935 174.700 0.050 0.000 0.993 477 T CA 0.379 62.494 62.100 0.024 0.000 0.970 477 T CB 1.594 70.455 68.868 -0.011 0.000 0.950 477 T HN 0.880 nan 8.240 nan 0.000 0.441 478 G N 2.272 111.072 108.800 0.000 0.000 2.470 478 G HA2 0.077 4.037 3.960 -0.000 0.000 0.220 478 G HA3 0.077 4.037 3.960 -0.000 0.000 0.220 478 G C 0.799 175.657 174.900 -0.070 0.000 1.121 478 G CA 0.934 46.003 45.100 -0.051 0.000 0.766 478 G HN 1.118 nan 8.290 nan 0.000 0.553 479 C N -3.921 115.350 119.300 -0.048 0.000 3.321 479 C HA 0.653 5.113 4.460 -0.000 0.000 0.329 479 C C -1.925 173.022 174.990 -0.072 0.000 1.394 479 C CA -1.044 57.951 59.018 -0.038 0.000 1.291 479 C CB 1.637 29.334 27.740 -0.071 0.000 1.606 479 C HN 0.017 nan 8.230 nan 0.000 0.463 480 P HA -0.059 nan 4.420 nan 0.000 0.231 480 P C 0.889 178.110 177.300 -0.132 0.000 1.158 480 P CA 1.254 64.212 63.100 -0.236 0.000 0.763 480 P CB -0.095 31.277 31.700 -0.547 0.000 0.805 481 N N 0.781 119.422 118.700 -0.098 0.000 2.272 481 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 481 N C 1.621 177.093 175.510 -0.063 0.000 1.014 481 N CA 1.805 54.815 53.050 -0.066 0.000 0.870 481 N CB -0.935 37.519 38.487 -0.056 0.000 0.975 481 N HN 0.275 nan 8.380 nan 0.000 0.433 482 G N -0.451 108.307 108.800 -0.069 0.000 2.160 482 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 482 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 482 G C 1.124 175.992 174.900 -0.054 0.000 1.022 482 G CA 0.410 45.471 45.100 -0.065 0.000 0.741 482 G HN 0.420 nan 8.290 nan 0.000 0.508 483 C N -0.313 118.958 119.300 -0.047 0.000 2.411 483 C HA 0.173 4.633 4.460 -0.000 0.000 0.279 483 C C 2.982 177.954 174.990 -0.031 0.000 1.288 483 C CA 1.427 60.422 59.018 -0.039 0.000 1.764 483 C CB -1.044 26.674 27.740 -0.037 0.000 1.974 483 C HN 0.930 nan 8.230 nan 0.000 0.498 484 G N -0.470 108.316 108.800 -0.024 0.000 2.848 484 G HA2 0.015 3.975 3.960 -0.000 0.000 0.208 484 G HA3 0.015 3.975 3.960 -0.000 0.000 0.208 484 G C 0.841 175.732 174.900 -0.015 0.000 1.152 484 G CA -0.144 44.950 45.100 -0.011 0.000 0.789 484 G HN 0.696 nan 8.290 nan 0.000 0.531 485 R N -1.445 119.036 120.500 -0.032 0.000 3.525 485 R HA -0.247 4.093 4.340 -0.000 0.000 0.276 485 R C 1.708 177.984 176.300 -0.039 0.000 1.116 485 R CA 0.335 56.412 56.100 -0.038 0.000 0.745 485 R CB -2.071 28.210 30.300 -0.031 0.000 1.185 485 R HN 0.433 nan 8.270 nan 0.000 0.454 486 A N 0.440 123.230 122.820 -0.049 0.000 2.019 486 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 486 A C 1.854 179.376 177.584 -0.102 0.000 1.164 486 A CA 1.025 53.027 52.037 -0.059 0.000 0.644 486 A CB -0.087 18.875 19.000 -0.064 0.000 0.805 486 A HN 0.240 nan 8.150 nan 0.000 0.449 487 M N -0.689 118.832 119.600 -0.130 0.000 2.691 487 M HA 0.222 4.702 4.480 -0.000 0.000 0.227 487 M C 0.629 176.879 176.300 -0.084 0.000 1.120 487 M CA 0.825 56.034 55.300 -0.152 0.000 1.034 487 M CB -0.766 31.734 32.600 -0.166 0.000 1.675 487 M HN 0.365 nan 8.290 nan 0.000 0.514 488 L N -1.135 120.056 121.223 -0.053 0.000 3.259 488 L HA 0.375 4.715 4.340 -0.000 0.000 0.292 488 L C 0.720 177.584 176.870 -0.010 0.000 1.219 488 L CA -0.360 54.464 54.840 -0.027 0.000 1.035 488 L CB 0.406 42.457 42.059 -0.013 0.000 1.424 488 L HN 0.070 nan 8.230 nan 0.000 0.603 489 A N -0.086 122.729 122.820 -0.009 0.000 2.271 489 A HA 0.311 4.631 4.320 -0.000 0.000 0.288 489 A C 0.979 178.579 177.584 0.027 0.000 1.094 489 A CA -0.221 51.825 52.037 0.014 0.000 0.828 489 A CB 0.682 19.693 19.000 0.019 0.000 1.091 489 A HN 0.294 nan 8.150 nan 0.000 0.493 490 E N -0.646 119.578 120.200 0.040 0.000 2.107 490 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 490 E C -0.511 176.151 176.600 0.103 0.000 0.982 490 E CA 0.960 57.399 56.400 0.066 0.000 0.809 490 E CB 0.136 29.883 29.700 0.077 0.000 0.756 490 E HN 0.336 nan 8.360 nan 0.000 0.459 491 V N 0.828 120.783 119.914 0.068 0.000 2.447 491 V HA 0.469 4.589 4.120 -0.000 0.000 0.292 491 V C -0.096 176.045 176.094 0.077 0.000 1.021 491 V CA -0.776 61.571 62.300 0.080 0.000 0.850 491 V CB 1.558 33.380 31.823 -0.002 0.000 1.005 491 V HN 0.138 nan 8.190 nan 0.000 0.426 492 G N 4.381 113.242 108.800 0.102 0.000 2.461 492 G HA2 0.706 4.666 3.960 -0.000 0.000 0.323 492 G HA3 0.706 4.666 3.960 -0.000 0.000 0.323 492 G C -1.540 173.425 174.900 0.107 0.000 1.229 492 G CA -0.556 44.584 45.100 0.066 0.000 0.941 492 G HN 0.440 nan 8.290 nan 0.000 0.477 493 L N 1.954 123.207 121.223 0.049 0.000 2.313 493 L HA 0.508 4.848 4.340 -0.000 0.000 0.283 493 L C -0.174 176.770 176.870 0.122 0.000 1.013 493 L CA -0.688 54.181 54.840 0.048 0.000 0.816 493 L CB 2.120 44.035 42.059 -0.240 0.000 1.236 493 L HN 0.264 nan 8.230 nan 0.000 0.419 494 V N 2.869 122.928 119.914 0.241 0.000 2.350 494 V HA 0.552 4.672 4.120 -0.000 0.000 0.285 494 V C 0.766 177.030 176.094 0.284 0.000 1.014 494 V CA -0.947 61.488 62.300 0.224 0.000 0.831 494 V CB 1.334 33.274 31.823 0.196 0.000 1.000 494 V HN 0.848 nan 8.190 nan 0.000 0.433 495 G N 3.041 111.964 108.800 0.205 0.000 2.353 495 G HA2 0.195 4.155 3.960 -0.000 0.000 0.239 495 G HA3 0.195 4.155 3.960 -0.000 0.000 0.239 495 G C 0.446 175.368 174.900 0.035 0.000 1.295 495 G CA 0.052 45.109 45.100 -0.072 0.000 0.884 495 G HN 0.768 nan 8.290 nan 0.000 0.537 496 K N 0.674 120.977 120.400 -0.162 0.000 2.462 496 K HA 0.504 4.824 4.320 -0.000 0.000 0.201 496 K C 0.673 177.193 176.600 -0.134 0.000 1.268 496 K CA 0.678 56.861 56.287 -0.172 0.000 0.933 496 K CB 0.635 32.947 32.500 -0.314 0.000 1.162 496 K HN 0.707 nan 8.250 nan 0.000 0.527 497 A N 0.916 123.627 122.820 -0.180 0.000 2.540 497 A HA 0.461 4.781 4.320 -0.000 0.000 0.291 497 A C -2.941 174.547 177.584 -0.161 0.000 1.083 497 A CA -1.023 50.944 52.037 -0.116 0.000 0.650 497 A CB 0.722 19.662 19.000 -0.099 0.000 1.292 497 A HN -0.158 nan 8.150 nan 0.000 0.435 498 P HA 0.301 nan 4.420 nan 0.000 0.260 498 P C 0.985 178.198 177.300 -0.145 0.000 1.185 498 P CA 2.393 65.434 63.100 -0.097 0.000 0.763 498 P CB 0.377 32.030 31.700 -0.079 0.000 0.776 499 G N 2.798 111.479 108.800 -0.198 0.000 2.168 499 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 499 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 499 G C 0.081 174.849 174.900 -0.220 0.000 0.977 499 G CA -0.218 44.792 45.100 -0.150 0.000 0.659 499 G HN 0.573 nan 8.290 nan 0.000 0.533 500 R N -0.964 119.270 120.500 -0.442 0.000 2.670 500 R HA 0.707 5.047 4.340 -0.000 0.000 0.289 500 R C -1.163 174.760 176.300 -0.627 0.000 0.965 500 R CA -0.708 55.190 56.100 -0.338 0.000 0.899 500 R CB 1.506 31.696 30.300 -0.183 0.000 1.173 500 R HN 0.215 nan 8.270 nan 0.000 0.456 501 Y N -0.090 120.158 120.300 -0.087 0.000 2.588 501 Y HA 0.322 4.872 4.550 0.000 0.000 0.343 501 Y C -0.134 175.761 175.900 -0.010 0.000 1.065 501 Y CA -1.258 56.805 58.100 -0.061 0.000 1.038 501 Y CB 1.772 40.168 38.460 -0.106 0.000 1.297 501 Y HN 0.406 nan 8.280 nan 0.000 0.467 502 N N 1.516 120.346 118.700 0.215 0.000 2.456 502 N HA 0.376 5.116 4.740 -0.000 0.000 0.288 502 N C -1.536 174.127 175.510 0.255 0.000 1.059 502 N CA -0.527 52.629 53.050 0.177 0.000 0.946 502 N CB 1.650 40.275 38.487 0.230 0.000 1.150 502 N HN 0.535 nan 8.380 nan 0.000 0.479 503 L N 3.506 124.828 121.223 0.166 0.000 2.272 503 L HA 0.346 4.686 4.340 -0.000 0.000 0.289 503 L C -0.609 176.356 176.870 0.158 0.000 1.032 503 L CA -0.317 54.650 54.840 0.210 0.000 0.810 503 L CB 0.314 42.508 42.059 0.225 0.000 1.205 503 L HN 0.503 nan 8.230 nan 0.000 0.422 504 H N 6.190 125.329 119.070 0.115 0.000 2.469 504 H HA 0.585 5.141 4.556 -0.000 0.000 0.342 504 H C -0.993 174.371 175.328 0.060 0.000 1.115 504 H CA -0.726 55.368 56.048 0.078 0.000 1.204 504 H CB 1.995 31.770 29.762 0.023 0.000 1.492 504 H HN 0.521 nan 8.280 nan 0.000 0.499 505 L N 0.090 121.377 121.223 0.106 0.000 2.350 505 L HA 0.448 4.788 4.340 -0.000 0.000 0.260 505 L C 0.806 177.660 176.870 -0.028 0.000 1.015 505 L CA -0.601 54.249 54.840 0.017 0.000 0.821 505 L CB 2.312 44.267 42.059 -0.173 0.000 1.370 505 L HN 0.982 nan 8.230 nan 0.000 0.416 506 G N 0.683 109.452 108.800 -0.050 0.000 2.168 506 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.197 506 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.197 506 G C 0.318 175.187 174.900 -0.051 0.000 0.997 506 G CA -0.252 44.796 45.100 -0.087 0.000 0.658 506 G HN 1.021 nan 8.290 nan 0.000 0.513 507 G N 0.109 108.901 108.800 -0.015 0.000 2.553 507 G HA2 0.592 4.552 3.960 -0.000 0.000 0.278 507 G HA3 0.592 4.552 3.960 -0.000 0.000 0.278 507 G C 0.124 175.018 174.900 -0.010 0.000 1.349 507 G CA 0.363 45.455 45.100 -0.013 0.000 1.037 507 G HN 1.173 nan 8.290 nan 0.000 0.508 508 N N -2.753 115.948 118.700 0.003 0.000 2.629 508 N HA 0.289 5.029 4.740 -0.000 0.000 0.279 508 N C 0.735 176.271 175.510 0.043 0.000 1.344 508 N CA -1.055 52.005 53.050 0.016 0.000 0.789 508 N CB 1.364 39.860 38.487 0.015 0.000 1.508 508 N HN 0.368 nan 8.380 nan 0.000 0.516 509 R N -0.473 120.065 120.500 0.063 0.000 2.120 509 R HA 0.046 4.386 4.340 -0.000 0.000 0.234 509 R C 1.404 177.765 176.300 0.102 0.000 1.123 509 R CA 1.776 57.936 56.100 0.100 0.000 0.975 509 R CB -0.728 29.651 30.300 0.130 0.000 0.866 509 R HN 0.768 nan 8.270 nan 0.000 0.446 510 I N -3.062 117.567 120.570 0.098 0.000 3.578 510 I HA 0.295 4.465 4.170 -0.000 0.000 0.295 510 I C 0.728 176.880 176.117 0.057 0.000 1.280 510 I CA 0.519 61.880 61.300 0.101 0.000 1.347 510 I CB 0.152 38.257 38.000 0.174 0.000 1.051 510 I HN 0.139 nan 8.210 nan 0.000 0.460 511 G N 2.596 111.427 108.800 0.051 0.000 2.256 511 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.272 511 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.272 511 G C 0.471 175.414 174.900 0.072 0.000 1.076 511 G CA 0.498 45.624 45.100 0.042 0.000 0.882 511 G HN 0.671 nan 8.290 nan 0.000 0.497 512 T N -3.485 111.076 114.554 0.013 0.000 3.132 512 T HA 0.541 4.891 4.350 -0.000 0.000 0.274 512 T C 0.556 175.142 174.700 -0.191 0.000 1.011 512 T CA 0.279 62.299 62.100 -0.133 0.000 0.899 512 T CB 0.710 69.563 68.868 -0.025 0.000 1.089 512 T HN 0.634 nan 8.240 nan 0.000 0.543 513 R N 0.767 121.202 120.500 -0.107 0.000 2.604 513 R HA 0.568 4.908 4.340 -0.000 0.000 0.281 513 R C -1.317 174.939 176.300 -0.073 0.000 1.020 513 R CA -0.939 55.103 56.100 -0.096 0.000 0.899 513 R CB 1.190 31.450 30.300 -0.067 0.000 1.205 513 R HN 0.127 nan 8.270 nan 0.000 0.450 514 I N 5.399 125.925 120.570 -0.074 0.000 2.371 514 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 514 I C -1.957 174.139 176.117 -0.035 0.000 1.028 514 I CA -2.693 58.572 61.300 -0.058 0.000 1.345 514 I CB 0.895 38.857 38.000 -0.064 0.000 1.407 514 I HN 0.458 nan 8.210 nan 0.000 0.501 515 P HA 0.224 nan 4.420 nan 0.000 0.281 515 P C -0.314 177.057 177.300 0.119 0.000 1.252 515 P CA -0.567 62.557 63.100 0.040 0.000 0.778 515 P CB 1.165 32.906 31.700 0.069 0.000 0.895 516 R N 3.518 124.051 120.500 0.054 0.000 2.582 516 R HA 0.307 4.647 4.340 -0.000 0.000 0.271 516 R C 0.493 176.753 176.300 -0.066 0.000 1.078 516 R CA -0.627 55.480 56.100 0.012 0.000 1.127 516 R CB 0.341 30.625 30.300 -0.027 0.000 1.038 516 R HN 0.496 nan 8.270 nan 0.000 0.500 517 M N 4.341 123.764 119.600 -0.296 0.000 2.268 517 M HA -0.042 4.438 4.480 -0.000 0.000 0.349 517 M C -0.421 175.786 176.300 -0.155 0.000 1.485 517 M CA 0.262 55.203 55.300 -0.597 0.000 1.094 517 M CB 0.575 32.832 32.600 -0.572 0.000 1.843 517 M HN 0.794 nan 8.290 nan 0.000 0.460 518 Y N 5.949 126.111 120.300 -0.230 0.000 2.314 518 Y HA 0.344 4.894 4.550 0.000 0.000 0.294 518 Y C -0.200 175.661 175.900 -0.066 0.000 1.139 518 Y CA 1.051 59.093 58.100 -0.098 0.000 1.162 518 Y CB 0.618 39.055 38.460 -0.039 0.000 1.121 518 Y HN 0.514 nan 8.280 nan 0.000 0.529 519 K N 0.796 121.121 120.400 -0.125 0.000 2.426 519 K HA 0.275 4.595 4.320 -0.000 0.000 0.251 519 K C -1.389 175.169 176.600 -0.070 0.000 0.941 519 K CA -0.833 55.347 56.287 -0.178 0.000 0.808 519 K CB 2.763 35.150 32.500 -0.188 0.000 1.265 519 K HN 0.038 nan 8.250 nan 0.000 0.432 520 E N 1.612 121.776 120.200 -0.061 0.000 2.199 520 E HA 0.135 4.485 4.350 -0.000 0.000 0.269 520 E C -0.730 175.855 176.600 -0.025 0.000 0.899 520 E CA -0.484 55.897 56.400 -0.032 0.000 0.772 520 E CB 0.865 30.548 29.700 -0.028 0.000 1.155 520 E HN 0.571 nan 8.360 nan 0.000 0.408 521 N N 2.577 121.260 118.700 -0.027 0.000 2.705 521 N HA -0.192 4.548 4.740 -0.000 0.000 0.255 521 N C -0.962 174.537 175.510 -0.018 0.000 1.008 521 N CA 1.285 54.306 53.050 -0.048 0.000 0.742 521 N CB -1.369 37.075 38.487 -0.071 0.000 0.906 521 N HN 0.540 nan 8.380 nan 0.000 0.541 522 I N -3.451 117.134 120.570 0.025 0.000 2.863 522 I HA 0.675 4.845 4.170 -0.000 0.000 0.311 522 I C 0.956 177.127 176.117 0.091 0.000 1.026 522 I CA -0.764 60.565 61.300 0.048 0.000 1.077 522 I CB 1.900 39.935 38.000 0.058 0.000 1.262 522 I HN 0.145 nan 8.210 nan 0.000 0.461 523 T N -1.480 113.130 114.554 0.093 0.000 2.912 523 T HA 0.247 4.597 4.350 -0.000 0.000 0.280 523 T C 0.832 175.639 174.700 0.178 0.000 0.989 523 T CA -0.310 61.866 62.100 0.127 0.000 0.995 523 T CB 1.908 70.831 68.868 0.091 0.000 1.077 523 T HN 0.894 nan 8.240 nan 0.000 0.531 524 E N 0.767 121.103 120.200 0.226 0.000 2.065 524 E HA -0.147 4.203 4.350 -0.000 0.000 0.201 524 E C -0.815 175.926 176.600 0.235 0.000 1.016 524 E CA 1.567 58.139 56.400 0.286 0.000 0.818 524 E CB -1.221 28.726 29.700 0.413 0.000 0.749 524 E HN 0.533 nan 8.360 nan 0.000 0.453 525 P HA -0.170 nan 4.420 nan 0.000 0.216 525 P C 0.548 177.926 177.300 0.130 0.000 1.150 525 P CA 1.699 64.882 63.100 0.139 0.000 0.843 525 P CB -0.049 31.714 31.700 0.106 0.000 0.787 526 E N -0.942 119.333 120.200 0.125 0.000 2.107 526 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 526 E C 2.017 178.701 176.600 0.140 0.000 0.982 526 E CA 0.757 57.223 56.400 0.111 0.000 0.809 526 E CB -0.494 29.258 29.700 0.087 0.000 0.756 526 E HN 0.268 nan 8.360 nan 0.000 0.459 527 I N 1.107 121.782 120.570 0.175 0.000 2.163 527 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 527 I C 2.365 178.616 176.117 0.224 0.000 1.081 527 I CA 1.055 62.483 61.300 0.213 0.000 1.353 527 I CB -0.244 37.900 38.000 0.240 0.000 1.054 527 I HN 0.095 nan 8.210 nan 0.000 0.407 528 L N 0.597 121.955 121.223 0.226 0.000 2.042 528 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 528 L C 2.869 179.817 176.870 0.130 0.000 1.076 528 L CA 1.455 56.392 54.840 0.161 0.000 0.749 528 L CB -0.804 41.334 42.059 0.131 0.000 0.893 528 L HN 0.270 nan 8.230 nan 0.000 0.432 529 A N -0.558 122.340 122.820 0.129 0.000 1.908 529 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 529 A C 2.505 180.172 177.584 0.138 0.000 1.181 529 A CA 2.180 54.288 52.037 0.118 0.000 0.627 529 A CB -0.597 18.464 19.000 0.101 0.000 0.818 529 A HN 0.411 nan 8.150 nan 0.000 0.445 530 S N -0.040 115.758 115.700 0.163 0.000 2.355 530 S HA -0.067 4.403 4.470 -0.000 0.000 0.222 530 S C 1.810 176.535 174.600 0.208 0.000 1.031 530 S CA 1.444 59.771 58.200 0.211 0.000 0.993 530 S CB -0.454 62.913 63.200 0.278 0.000 0.859 530 S HN 0.508 nan 8.310 nan 0.000 0.453 531 L N 1.445 122.773 121.223 0.175 0.000 2.141 531 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 531 L C 2.463 179.403 176.870 0.117 0.000 1.094 531 L CA 1.112 56.026 54.840 0.123 0.000 0.763 531 L CB -0.604 41.486 42.059 0.052 0.000 0.908 531 L HN 0.261 nan 8.230 nan 0.000 0.437 532 D N 0.510 120.992 120.400 0.137 0.000 2.104 532 D HA -0.272 4.368 4.640 -0.000 0.000 0.194 532 D C 2.031 178.443 176.300 0.187 0.000 0.994 532 D CA 1.528 55.647 54.000 0.197 0.000 0.830 532 D CB 0.132 41.037 40.800 0.175 0.000 0.959 532 D HN 0.355 nan 8.370 nan 0.000 0.452 533 E N -0.314 119.978 120.200 0.152 0.000 2.047 533 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 533 E C 2.529 179.195 176.600 0.110 0.000 0.987 533 E CA 0.618 57.094 56.400 0.126 0.000 0.799 533 E CB -0.099 29.684 29.700 0.138 0.000 0.752 533 E HN 0.328 nan 8.360 nan 0.000 0.449 534 L N 0.552 121.878 121.223 0.171 0.000 2.027 534 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 534 L C 2.664 179.728 176.870 0.323 0.000 1.074 534 L CA 0.878 55.875 54.840 0.262 0.000 0.745 534 L CB -0.389 41.879 42.059 0.348 0.000 0.898 534 L HN 0.200 nan 8.230 nan 0.000 0.433 535 I N 0.147 120.855 120.570 0.231 0.000 2.286 535 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 535 I C 2.599 178.621 176.117 -0.157 0.000 1.115 535 I CA 1.387 62.802 61.300 0.191 0.000 1.392 535 I CB -0.748 37.307 38.000 0.090 0.000 1.065 535 I HN 0.287 nan 8.210 nan 0.000 0.418 536 G N 0.586 109.028 108.800 -0.597 0.000 2.418 536 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 536 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 536 G C 1.821 176.582 174.900 -0.231 0.000 1.158 536 G CA 0.376 44.986 45.100 -0.817 0.000 0.771 536 G HN 0.290 nan 8.290 nan 0.000 0.545 537 R N -1.180 119.289 120.500 -0.052 0.000 2.075 537 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 537 R C 2.274 178.466 176.300 -0.180 0.000 1.126 537 R CA 1.239 57.354 56.100 0.025 0.000 0.963 537 R CB -0.435 29.999 30.300 0.222 0.000 0.858 537 R HN 0.528 nan 8.270 nan 0.000 0.435 538 W N 1.774 122.780 121.300 -0.490 0.000 2.355 538 W HA -0.154 4.506 4.660 0.000 0.000 0.309 538 W C 2.182 178.362 176.519 -0.565 0.000 1.206 538 W CA 1.529 58.284 57.345 -0.982 0.000 1.284 538 W CB -0.542 28.684 29.460 -0.390 0.000 1.145 538 W HN 0.083 nan 8.180 nan 0.000 0.502 539 A N 0.466 123.061 122.820 -0.375 0.000 1.917 539 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 539 A C 2.001 179.366 177.584 -0.365 0.000 1.182 539 A CA 2.326 54.086 52.037 -0.461 0.000 0.633 539 A CB -0.641 18.225 19.000 -0.224 0.000 0.819 539 A HN 0.436 nan 8.150 nan 0.000 0.448 540 K N -1.203 119.042 120.400 -0.258 0.000 2.284 540 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 540 K C 1.392 177.890 176.600 -0.171 0.000 1.048 540 K CA 0.940 57.122 56.287 -0.174 0.000 0.987 540 K CB 0.184 32.630 32.500 -0.089 0.000 0.800 540 K HN 0.573 nan 8.250 nan 0.000 0.486 541 E N 1.001 121.062 120.200 -0.231 0.000 2.476 541 E HA 0.001 4.350 4.350 -0.000 0.000 0.199 541 E C 0.013 176.517 176.600 -0.160 0.000 1.021 541 E CA -0.228 56.096 56.400 -0.127 0.000 0.907 541 E CB 0.410 30.148 29.700 0.063 0.000 0.974 541 E HN 0.211 nan 8.360 nan 0.000 0.489 542 R N 1.819 122.082 120.500 -0.396 0.000 2.643 542 R HA 0.169 4.509 4.340 -0.000 0.000 0.270 542 R C -0.087 176.147 176.300 -0.110 0.000 1.061 542 R CA 0.040 55.986 56.100 -0.255 0.000 1.107 542 R CB 0.791 30.794 30.300 -0.494 0.000 0.999 542 R HN -0.102 nan 8.270 nan 0.000 0.460 543 E N 0.907 121.112 120.200 0.008 0.000 2.385 543 E HA 0.233 4.583 4.350 -0.000 0.000 0.254 543 E C -0.268 176.318 176.600 -0.025 0.000 1.228 543 E CA -0.680 55.721 56.400 0.001 0.000 0.956 543 E CB 0.738 30.463 29.700 0.041 0.000 1.116 543 E HN 0.740 nan 8.360 nan 0.000 0.507 544 A N 0.631 123.438 122.820 -0.021 0.000 2.526 544 A HA 0.309 4.629 4.320 -0.000 0.000 0.267 544 A C 1.070 178.653 177.584 -0.002 0.000 1.095 544 A CA 0.854 52.875 52.037 -0.026 0.000 0.775 544 A CB -1.266 17.723 19.000 -0.018 0.000 1.036 544 A HN 0.780 nan 8.150 nan 0.000 0.510 545 G N 1.740 110.534 108.800 -0.009 0.000 2.160 545 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 545 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 545 G C 0.098 175.051 174.900 0.088 0.000 1.008 545 G CA 0.553 45.672 45.100 0.032 0.000 0.724 545 G HN 1.110 nan 8.290 nan 0.000 0.514 546 E N 0.559 120.828 120.200 0.115 0.000 2.259 546 E HA 0.501 4.851 4.350 -0.000 0.000 0.281 546 E C 1.217 178.062 176.600 0.407 0.000 1.037 546 E CA -0.002 56.525 56.400 0.211 0.000 0.854 546 E CB 0.219 30.049 29.700 0.218 0.000 1.051 546 E HN 0.402 nan 8.360 nan 0.000 0.409 547 G N 3.263 112.233 108.800 0.285 0.000 2.569 547 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.249 547 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.249 547 G C 0.265 175.205 174.900 0.066 0.000 1.216 547 G CA -0.523 44.715 45.100 0.230 0.000 0.845 547 G HN 0.750 nan 8.290 nan 0.000 0.568 548 F N 1.716 121.275 119.950 -0.651 0.000 2.069 548 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 548 F C 2.479 178.044 175.800 -0.392 0.000 1.113 548 F CA 2.671 59.997 58.000 -1.123 0.000 1.214 548 F CB -0.468 37.755 39.000 -1.295 0.000 0.978 548 F HN 0.457 nan 8.300 nan 0.000 0.474 549 G N -0.153 108.545 108.800 -0.170 0.000 2.491 549 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 549 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 549 G C 1.408 176.191 174.900 -0.196 0.000 1.180 549 G CA 1.173 46.176 45.100 -0.162 0.000 0.774 549 G HN 0.367 nan 8.290 nan 0.000 0.562 550 D N -0.183 120.159 120.400 -0.097 0.000 2.144 550 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 550 D C 1.981 178.231 176.300 -0.084 0.000 0.984 550 D CA 0.562 54.526 54.000 -0.061 0.000 0.834 550 D CB -0.308 40.502 40.800 0.016 0.000 0.955 550 D HN 0.309 nan 8.370 nan 0.000 0.465 551 F N 1.908 121.741 119.950 -0.195 0.000 2.102 551 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 551 F C 2.474 178.110 175.800 -0.273 0.000 1.105 551 F CA 2.166 60.065 58.000 -0.169 0.000 1.239 551 F CB -0.783 38.179 39.000 -0.064 0.000 0.991 551 F HN -0.026 nan 8.300 nan 0.000 0.474 552 T N -2.002 112.136 114.554 -0.693 0.000 2.833 552 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 552 T C 2.012 176.407 174.700 -0.509 0.000 1.054 552 T CA 1.575 63.247 62.100 -0.715 0.000 1.135 552 T CB -1.293 67.189 68.868 -0.644 0.000 0.869 552 T HN 0.167 nan 8.240 nan 0.000 0.466 553 V N 1.439 121.131 119.914 -0.371 0.000 2.323 553 V HA -0.014 4.106 4.120 -0.000 0.000 0.244 553 V C 2.977 178.925 176.094 -0.244 0.000 1.041 553 V CA 1.817 63.968 62.300 -0.249 0.000 1.025 553 V CB -0.696 31.027 31.823 -0.168 0.000 0.656 553 V HN 0.456 nan 8.190 nan 0.000 0.451 554 R N 0.582 120.925 120.500 -0.263 0.000 2.073 554 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 554 R C 2.044 178.184 176.300 -0.266 0.000 1.134 554 R CA 1.629 57.605 56.100 -0.206 0.000 0.952 554 R CB -0.413 29.811 30.300 -0.126 0.000 0.850 554 R HN 0.465 nan 8.270 nan 0.000 0.433 555 A N -0.116 122.406 122.820 -0.497 0.000 2.239 555 A HA 0.137 4.457 4.320 -0.000 0.000 0.209 555 A C 1.332 178.732 177.584 -0.307 0.000 1.171 555 A CA 0.871 52.621 52.037 -0.477 0.000 0.768 555 A CB -0.504 17.928 19.000 -0.948 0.000 0.790 555 A HN 0.650 nan 8.150 nan 0.000 0.478 556 G N -0.709 107.934 108.800 -0.262 0.000 2.153 556 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 556 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 556 G C 0.758 175.566 174.900 -0.154 0.000 0.994 556 G CA 0.586 45.585 45.100 -0.168 0.000 0.698 556 G HN 0.508 nan 8.290 nan 0.000 0.521 557 I N -1.135 119.297 120.570 -0.230 0.000 2.439 557 I HA 0.191 4.361 4.170 -0.000 0.000 0.251 557 I C 1.144 177.186 176.117 -0.124 0.000 1.139 557 I CA 0.940 62.132 61.300 -0.180 0.000 1.438 557 I CB 0.059 37.880 38.000 -0.298 0.000 1.085 557 I HN 0.321 nan 8.210 nan 0.000 0.427 558 I N -0.379 120.092 120.570 -0.165 0.000 2.656 558 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 558 I C -0.463 175.598 176.117 -0.093 0.000 1.144 558 I CA -0.572 60.669 61.300 -0.098 0.000 1.038 558 I CB 1.536 39.445 38.000 -0.152 0.000 1.244 558 I HN -0.152 nan 8.210 nan 0.000 0.420 559 R N 7.323 127.793 120.500 -0.050 0.000 2.438 559 R HA 0.405 4.745 4.340 -0.000 0.000 0.287 559 R C -2.380 173.887 176.300 -0.056 0.000 1.077 559 R CA -1.435 54.636 56.100 -0.050 0.000 1.034 559 R CB 0.317 30.601 30.300 -0.027 0.000 0.993 559 R HN 0.410 nan 8.270 nan 0.000 0.459 560 P HA 0.098 nan 4.420 nan 0.000 0.274 560 P C -0.500 176.770 177.300 -0.050 0.000 1.246 560 P CA -0.362 62.701 63.100 -0.061 0.000 0.795 560 P CB 0.802 32.463 31.700 -0.065 0.000 1.006 561 V N 3.264 123.147 119.914 -0.052 0.000 2.318 561 V HA 0.111 4.231 4.120 -0.000 0.000 0.271 561 V C 1.555 177.614 176.094 -0.057 0.000 1.030 561 V CA -0.035 62.233 62.300 -0.053 0.000 0.844 561 V CB 0.325 32.113 31.823 -0.058 0.000 1.015 561 V HN 0.451 nan 8.190 nan 0.000 0.460 562 L N 2.098 123.291 121.223 -0.051 0.000 2.416 562 L HA 0.347 4.687 4.340 -0.000 0.000 0.216 562 L C 0.587 177.424 176.870 -0.055 0.000 1.098 562 L CA 0.641 55.451 54.840 -0.051 0.000 0.840 562 L CB 0.266 42.301 42.059 -0.040 0.000 0.981 562 L HN 0.611 nan 8.230 nan 0.000 0.462 563 D N -0.518 119.845 120.400 -0.062 0.000 2.668 563 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 563 D C -1.823 174.412 176.300 -0.108 0.000 1.268 563 D CA -1.646 52.308 54.000 -0.075 0.000 0.842 563 D CB 1.025 41.790 40.800 -0.059 0.000 1.399 563 D HN -0.229 nan 8.370 nan 0.000 0.530 564 P HA -0.300 nan 4.420 nan 0.000 0.219 564 P C 1.272 178.379 177.300 -0.322 0.000 1.158 564 P CA 1.806 64.815 63.100 -0.152 0.000 0.895 564 P CB 0.180 31.821 31.700 -0.098 0.000 0.792 565 A N -0.815 121.666 122.820 -0.566 0.000 2.076 565 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 565 A C 2.306 179.670 177.584 -0.368 0.000 1.160 565 A CA 1.684 53.131 52.037 -0.983 0.000 0.653 565 A CB -0.821 17.750 19.000 -0.715 0.000 0.801 565 A HN 0.192 nan 8.150 nan 0.000 0.455 566 R N -1.442 118.954 120.500 -0.173 0.000 2.310 566 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 566 R C 0.483 176.792 176.300 0.015 0.000 0.891 566 R CA 0.811 56.885 56.100 -0.044 0.000 1.060 566 R CB 0.364 30.642 30.300 -0.038 0.000 1.188 566 R HN 0.589 nan 8.270 nan 0.000 0.607 567 D N 0.014 120.411 120.400 -0.006 0.000 2.479 567 D HA -0.037 4.603 4.640 -0.000 0.000 0.218 567 D C 1.308 177.618 176.300 0.017 0.000 1.177 567 D CA -0.160 53.853 54.000 0.020 0.000 0.830 567 D CB 0.263 41.061 40.800 -0.004 0.000 1.014 567 D HN 0.053 nan 8.370 nan 0.000 0.503 568 L N -0.314 120.915 121.223 0.010 0.000 2.056 568 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 568 L C -0.019 176.767 176.870 -0.141 0.000 1.078 568 L CA 1.179 55.961 54.840 -0.097 0.000 0.749 568 L CB -0.312 41.651 42.059 -0.160 0.000 0.901 568 L HN -0.020 nan 8.230 nan 0.000 0.433 569 W N 1.137 122.475 121.300 0.062 0.000 2.365 569 W HA 0.335 4.994 4.660 -0.000 0.000 0.316 569 W C 0.585 177.126 176.519 0.037 0.000 1.164 569 W CA -0.815 56.568 57.345 0.063 0.000 1.204 569 W CB 0.368 29.875 29.460 0.077 0.000 1.213 569 W HN -0.056 nan 8.180 nan 0.000 0.539 570 D N 0.000 120.557 120.400 0.262 0.000 6.856 570 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 570 D CA 0.000 54.094 54.000 0.156 0.000 0.868 570 D CB 0.000 40.858 40.800 0.097 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683