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 3pf0_1_A DATA FIRST_RESID 66 DATA SEQUENCE IVAVDISAET EKTYLTHVAN DXVIPAYADA AKQSDLLHDL AQKHcQKAPV DATA SEQUENCE SGDELQALRD QWLVLAQAWA SAEXVNFGPA TASXSNLYIN YYPDERGLVH DATA SEQUENCE GGVADLITAN PALTAEQLAN ESAVVQGIPG LEEALYANDS LDAGQcAYVX DATA SEQUENCE SASSALGTRL KDIEKNWQQN AIKLLAIDKT AESDQGLNQW FNSLLSLVET DATA SEQUENCE XKSNAIEQPL GLSGKAKGHL PAATAGQSRA IINAKLATLN KAXTDPVLTA DATA SEQUENCE ILGSNNENTV ADTLSTALAD TTALLAQXPE DLATADKATQ QELYDHLTNI DATA SEQUENCE TRLIKSQLIP TLGIRVGF 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 66 I HA 0.000 nan 4.170 nan 0.000 0.288 66 I C 0.000 176.102 176.117 -0.024 0.000 1.063 66 I CA 0.000 61.286 61.300 -0.024 0.000 1.566 66 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 67 V N 1.164 121.063 119.914 -0.025 0.000 2.368 67 V HA 0.916 5.036 4.120 0.001 0.000 0.266 67 V C 0.695 176.771 176.094 -0.031 0.000 1.045 67 V CA -0.142 62.143 62.300 -0.025 0.000 0.899 67 V CB 0.860 32.670 31.823 -0.022 0.000 1.006 67 V HN 1.906 nan 8.190 nan 0.000 0.470 68 A N 4.988 127.789 122.820 -0.031 0.000 2.388 68 A HA 0.646 4.967 4.320 0.001 0.000 0.257 68 A C 0.458 178.021 177.584 -0.035 0.000 1.095 68 A CA 0.329 52.344 52.037 -0.037 0.000 0.791 68 A CB 0.600 19.580 19.000 -0.033 0.000 1.029 68 A HN 2.230 nan 8.150 nan 0.000 0.489 69 V N 0.455 120.343 119.914 -0.044 0.000 2.881 69 V HA 0.306 4.427 4.120 0.001 0.000 0.303 69 V C -0.134 175.941 176.094 -0.032 0.000 1.070 69 V CA -0.877 61.400 62.300 -0.040 0.000 1.074 69 V CB 0.798 32.590 31.823 -0.051 0.000 1.012 69 V HN 0.742 nan 8.190 nan 0.000 0.482 70 D N 3.250 123.636 120.400 -0.024 0.000 2.295 70 D HA 0.477 5.118 4.640 0.001 0.000 0.248 70 D C -0.394 175.897 176.300 -0.014 0.000 1.154 70 D CA 0.270 54.260 54.000 -0.015 0.000 0.857 70 D CB 1.600 42.394 40.800 -0.010 0.000 1.117 70 D HN 0.544 nan 8.370 nan 0.000 0.468 71 I N 1.795 122.360 120.570 -0.007 0.000 2.382 71 I HA 0.070 4.240 4.170 0.001 0.000 0.286 71 I C 0.852 176.978 176.117 0.015 0.000 1.002 71 I CA -0.689 60.612 61.300 0.001 0.000 1.135 71 I CB 1.613 39.614 38.000 0.001 0.000 1.288 71 I HN 0.196 nan 8.210 nan 0.000 0.448 72 S N 4.431 120.142 115.700 0.018 0.000 2.603 72 S HA 0.416 4.887 4.470 0.001 0.000 0.268 72 S C 1.314 175.936 174.600 0.036 0.000 1.317 72 S CA -0.101 58.113 58.200 0.023 0.000 1.012 72 S CB 1.684 64.895 63.200 0.020 0.000 0.926 72 S HN 0.735 nan 8.310 nan 0.000 0.539 73 A N 0.792 123.634 122.820 0.036 0.000 1.940 73 A HA -0.079 4.242 4.320 0.001 0.000 0.219 73 A C 2.099 179.712 177.584 0.049 0.000 1.176 73 A CA 1.880 53.944 52.037 0.044 0.000 0.631 73 A CB -1.089 17.933 19.000 0.036 0.000 0.814 73 A HN 0.904 nan 8.150 nan 0.000 0.446 74 E N -0.614 119.611 120.200 0.041 0.000 2.072 74 E HA -0.064 4.287 4.350 0.001 0.000 0.190 74 E C 2.121 178.753 176.600 0.053 0.000 0.982 74 E CA 1.675 58.100 56.400 0.042 0.000 0.803 74 E CB -0.502 29.217 29.700 0.031 0.000 0.755 74 E HN 0.508 nan 8.360 nan 0.000 0.453 75 T N 0.351 114.936 114.554 0.052 0.000 2.746 75 T HA -0.164 4.186 4.350 0.001 0.000 0.267 75 T C 1.709 176.473 174.700 0.107 0.000 1.039 75 T CA 1.527 63.664 62.100 0.062 0.000 1.142 75 T CB -0.220 68.670 68.868 0.038 0.000 0.866 75 T HN 0.262 nan 8.240 nan 0.000 0.444 76 E N 0.764 121.028 120.200 0.108 0.000 2.047 76 E HA -0.150 4.201 4.350 0.001 0.000 0.191 76 E C 2.301 179.000 176.600 0.166 0.000 0.987 76 E CA 1.029 57.524 56.400 0.159 0.000 0.799 76 E CB -0.034 29.742 29.700 0.128 0.000 0.752 76 E HN 0.366 nan 8.360 nan 0.000 0.449 77 K N -0.218 120.247 120.400 0.108 0.000 2.032 77 K HA -0.162 4.159 4.320 0.001 0.000 0.209 77 K C 2.048 178.695 176.600 0.077 0.000 1.048 77 K CA 1.948 58.284 56.287 0.081 0.000 0.927 77 K CB -0.143 32.392 32.500 0.059 0.000 0.712 77 K HN 0.084 nan 8.250 nan 0.000 0.441 78 T N 0.165 114.772 114.554 0.087 0.000 2.746 78 T HA -0.188 4.162 4.350 0.001 0.000 0.267 78 T C 1.493 176.263 174.700 0.116 0.000 1.039 78 T CA 1.559 63.708 62.100 0.081 0.000 1.142 78 T CB -0.469 68.441 68.868 0.070 0.000 0.866 78 T HN 0.376 nan 8.240 nan 0.000 0.444 79 Y N 1.737 122.063 120.300 0.043 0.000 2.145 79 Y HA -0.039 4.511 4.550 -0.000 0.000 0.286 79 Y C 2.002 177.921 175.900 0.031 0.000 1.145 79 Y CA 1.086 59.229 58.100 0.071 0.000 1.148 79 Y CB -0.582 37.934 38.460 0.093 0.000 0.981 79 Y HN 0.108 nan 8.280 nan 0.000 0.507 80 L N -0.791 120.381 121.223 -0.085 0.000 2.083 80 L HA -0.234 4.107 4.340 0.001 0.000 0.209 80 L C 2.296 179.031 176.870 -0.225 0.000 1.083 80 L CA 1.811 56.512 54.840 -0.232 0.000 0.752 80 L CB -0.853 41.189 42.059 -0.028 0.000 0.899 80 L HN 0.218 nan 8.230 nan 0.000 0.433 81 T N -2.128 112.367 114.554 -0.099 0.000 2.821 81 T HA -0.232 4.119 4.350 0.001 0.000 0.267 81 T C 1.797 176.426 174.700 -0.118 0.000 1.046 81 T CA 1.617 63.675 62.100 -0.070 0.000 1.139 81 T CB -0.301 68.562 68.868 -0.008 0.000 0.871 81 T HN 0.504 nan 8.240 nan 0.000 0.454 82 H N 0.819 119.756 119.070 -0.220 0.000 2.389 82 H HA 0.062 4.622 4.556 0.007 0.000 0.299 82 H C 1.969 177.073 175.328 -0.372 0.000 1.081 82 H CA 1.118 57.024 56.048 -0.236 0.000 1.345 82 H CB -0.524 29.132 29.762 -0.176 0.000 1.393 82 H HN 0.108 nan 8.280 nan 0.000 0.520 83 V N 0.826 120.252 119.914 -0.813 0.000 2.358 83 V HA -0.218 3.903 4.120 0.001 0.000 0.246 83 V C 2.737 178.361 176.094 -0.784 0.000 1.047 83 V CA 1.625 63.297 62.300 -1.046 0.000 1.035 83 V CB -1.165 29.755 31.823 -1.505 0.000 0.658 83 V HN 0.740 nan 8.190 nan 0.000 0.452 84 A N 0.320 122.818 122.820 -0.536 0.000 1.855 84 A HA -0.200 4.121 4.320 0.001 0.000 0.215 84 A C 2.065 179.475 177.584 -0.291 0.000 1.191 84 A CA 2.015 53.840 52.037 -0.354 0.000 0.613 84 A CB -0.610 18.339 19.000 -0.085 0.000 0.829 84 A HN 0.580 nan 8.150 nan 0.000 0.442 85 N N 0.501 119.056 118.700 -0.240 0.000 2.216 85 N HA -0.025 4.715 4.740 0.001 0.000 0.183 85 N C -0.045 175.338 175.510 -0.212 0.000 1.017 85 N CA 0.965 53.913 53.050 -0.170 0.000 0.861 85 N CB -0.230 38.195 38.487 -0.104 0.000 0.986 85 N HN 0.470 nan 8.380 nan 0.000 0.428 89 I N 1.821 122.184 120.570 -0.345 0.000 2.163 89 I HA -0.143 4.028 4.170 0.001 0.000 0.243 89 I C -0.579 175.481 176.117 -0.096 0.000 1.085 89 I CA 2.366 63.601 61.300 -0.108 0.000 1.347 89 I CB -1.083 36.895 38.000 -0.037 0.000 1.044 89 I HN 0.387 nan 8.210 nan 0.000 0.408 90 P HA -0.144 nan 4.420 nan 0.000 0.217 90 P C 1.452 178.672 177.300 -0.133 0.000 1.150 90 P CA 1.662 64.692 63.100 -0.117 0.000 0.832 90 P CB -0.017 31.604 31.700 -0.133 0.000 0.787 91 A N -1.432 121.243 122.820 -0.242 0.000 1.902 91 A HA -0.216 4.105 4.320 0.001 0.000 0.217 91 A C 1.990 179.443 177.584 -0.218 0.000 1.181 91 A CA 1.460 53.319 52.037 -0.297 0.000 0.623 91 A CB -1.852 16.854 19.000 -0.490 0.000 0.818 91 A HN 0.109 nan 8.150 nan 0.000 0.443 92 Y N -0.154 120.081 120.300 -0.108 0.000 2.242 92 Y HA 0.004 4.554 4.550 0.001 0.000 0.291 92 Y C 2.916 178.826 175.900 0.017 0.000 1.137 92 Y CA 0.423 58.520 58.100 -0.005 0.000 1.181 92 Y CB -0.807 37.648 38.460 -0.009 0.000 0.989 92 Y HN 0.319 nan 8.280 nan 0.000 0.527 93 A N -0.150 122.746 122.820 0.126 0.000 1.902 93 A HA -0.239 4.082 4.320 0.001 0.000 0.217 93 A C 1.951 179.564 177.584 0.047 0.000 1.181 93 A CA 2.088 54.167 52.037 0.071 0.000 0.623 93 A CB -0.869 18.149 19.000 0.030 0.000 0.818 93 A HN 0.434 nan 8.150 nan 0.000 0.443 94 D N -0.369 120.043 120.400 0.020 0.000 2.117 94 D HA -0.003 4.638 4.640 0.001 0.000 0.198 94 D C 2.072 178.393 176.300 0.036 0.000 0.982 94 D CA 1.569 55.573 54.000 0.007 0.000 0.828 94 D CB -0.226 40.557 40.800 -0.029 0.000 0.967 94 D HN 0.319 nan 8.370 nan 0.000 0.464 95 A N 0.482 123.350 122.820 0.081 0.000 1.908 95 A HA -0.010 4.311 4.320 0.001 0.000 0.218 95 A C 2.357 180.004 177.584 0.104 0.000 1.181 95 A CA 2.288 54.407 52.037 0.138 0.000 0.627 95 A CB -1.042 18.151 19.000 0.320 0.000 0.818 95 A HN 0.320 nan 8.150 nan 0.000 0.445 96 A N -0.219 122.663 122.820 0.103 0.000 1.898 96 A HA -0.156 4.165 4.320 0.001 0.000 0.216 96 A C 2.140 179.746 177.584 0.036 0.000 1.181 96 A CA 1.966 54.039 52.037 0.060 0.000 0.620 96 A CB -0.459 18.576 19.000 0.060 0.000 0.819 96 A HN 0.573 nan 8.150 nan 0.000 0.442 97 K N -0.912 119.508 120.400 0.034 0.000 2.026 97 K HA -0.215 4.105 4.320 0.001 0.000 0.208 97 K C 2.088 178.702 176.600 0.023 0.000 1.048 97 K CA 1.626 57.927 56.287 0.022 0.000 0.929 97 K CB -0.161 32.349 32.500 0.016 0.000 0.713 97 K HN 0.357 nan 8.250 nan 0.000 0.439 98 Q N 0.366 120.180 119.800 0.022 0.000 2.167 98 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 98 Q C 2.234 178.250 176.000 0.027 0.000 0.970 98 Q CA 1.791 57.604 55.803 0.017 0.000 0.855 98 Q CB -0.270 28.470 28.738 0.002 0.000 0.911 98 Q HN 0.508 nan 8.270 nan 0.000 0.438 99 S N 0.520 116.238 115.700 0.030 0.000 2.387 99 S HA -0.119 4.352 4.470 0.001 0.000 0.226 99 S C 1.397 176.033 174.600 0.060 0.000 1.026 99 S CA 1.102 59.325 58.200 0.038 0.000 0.972 99 S CB -0.106 63.104 63.200 0.016 0.000 0.814 99 S HN 0.129 nan 8.310 nan 0.000 0.477 100 D N 1.557 121.985 120.400 0.046 0.000 2.117 100 D HA -0.010 4.631 4.640 0.001 0.000 0.197 100 D C 1.870 178.217 176.300 0.079 0.000 0.987 100 D CA 0.856 54.891 54.000 0.058 0.000 0.829 100 D CB -0.540 40.276 40.800 0.028 0.000 0.961 100 D HN 0.363 nan 8.370 nan 0.000 0.460 101 L N 0.449 121.702 121.223 0.049 0.000 2.093 101 L HA -0.061 4.280 4.340 0.001 0.000 0.208 101 L C 1.994 178.887 176.870 0.038 0.000 1.085 101 L CA 1.186 56.047 54.840 0.035 0.000 0.755 101 L CB -0.639 41.435 42.059 0.024 0.000 0.904 101 L HN 0.006 nan 8.230 nan 0.000 0.435 102 L N -0.820 120.439 121.223 0.060 0.000 2.017 102 L HA -0.224 4.116 4.340 0.001 0.000 0.208 102 L C 2.568 179.465 176.870 0.046 0.000 1.073 102 L CA 2.273 57.156 54.840 0.070 0.000 0.745 102 L CB -0.926 41.197 42.059 0.107 0.000 0.894 102 L HN 0.558 nan 8.230 nan 0.000 0.432 103 H N -0.959 118.113 119.070 0.004 0.000 2.290 103 H HA -0.215 4.342 4.556 0.001 0.000 0.298 103 H C 1.980 177.291 175.328 -0.028 0.000 1.087 103 H CA 2.323 58.364 56.048 -0.012 0.000 1.291 103 H CB -0.254 29.497 29.762 -0.020 0.000 1.369 103 H HN 0.532 nan 8.280 nan 0.000 0.492 104 D N -0.623 119.766 120.400 -0.019 0.000 2.144 104 D HA -0.132 4.509 4.640 0.001 0.000 0.199 104 D C 2.299 178.497 176.300 -0.171 0.000 0.984 104 D CA 1.187 55.146 54.000 -0.067 0.000 0.834 104 D CB -0.116 40.690 40.800 0.010 0.000 0.955 104 D HN 0.422 nan 8.370 nan 0.000 0.465 105 L N -0.067 121.060 121.223 -0.160 0.000 2.056 105 L HA -0.108 4.232 4.340 0.001 0.000 0.207 105 L C 2.538 179.216 176.870 -0.320 0.000 1.078 105 L CA 1.095 55.775 54.840 -0.268 0.000 0.749 105 L CB -0.472 41.503 42.059 -0.140 0.000 0.901 105 L HN 0.089 nan 8.230 nan 0.000 0.433 106 A N -0.520 122.188 122.820 -0.186 0.000 1.902 106 A HA -0.292 4.029 4.320 0.001 0.000 0.217 106 A C 2.244 179.716 177.584 -0.186 0.000 1.181 106 A CA 1.866 53.822 52.037 -0.135 0.000 0.623 106 A CB -0.612 18.316 19.000 -0.120 0.000 0.818 106 A HN 0.499 nan 8.150 nan 0.000 0.443 107 Q N -0.267 119.349 119.800 -0.308 0.000 2.096 107 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 107 Q C 1.977 177.888 176.000 -0.149 0.000 0.982 107 Q CA 1.979 57.634 55.803 -0.247 0.000 0.850 107 Q CB -0.116 28.443 28.738 -0.298 0.000 0.901 107 Q HN 0.691 nan 8.270 nan 0.000 0.422 108 K N -0.782 119.502 120.400 -0.193 0.000 2.001 108 K HA -0.134 4.186 4.320 0.001 0.000 0.208 108 K C 2.135 178.686 176.600 -0.080 0.000 1.048 108 K CA 1.386 57.572 56.287 -0.168 0.000 0.932 108 K CB -0.139 32.201 32.500 -0.267 0.000 0.715 108 K HN 0.348 nan 8.250 nan 0.000 0.437 109 H N -0.151 118.896 119.070 -0.039 0.000 2.423 109 H HA -0.034 4.522 4.556 0.001 0.000 0.297 109 H C 2.059 177.369 175.328 -0.030 0.000 1.075 109 H CA 0.612 56.642 56.048 -0.030 0.000 1.342 109 H CB -0.571 29.175 29.762 -0.027 0.000 1.395 109 H HN 0.223 nan 8.280 nan 0.000 0.530 110 c N 0.916 119.556 118.600 0.067 0.000 2.491 110 c HA -0.027 4.543 4.570 0.001 0.000 0.277 110 c C 2.462 176.563 174.090 0.017 0.000 1.455 110 c CA 0.258 56.605 56.329 0.030 0.000 1.758 110 c CB -0.860 41.652 42.510 0.003 0.000 1.745 110 c HN 0.576 nan 8.230 nan 0.000 0.558 111 Q N 0.528 120.338 119.800 0.017 0.000 2.291 111 Q HA -0.062 4.279 4.340 0.001 0.000 0.205 111 Q C 1.027 177.037 176.000 0.017 0.000 0.970 111 Q CA 0.951 56.761 55.803 0.012 0.000 0.876 111 Q CB 0.082 28.825 28.738 0.008 0.000 0.935 111 Q HN 0.644 nan 8.270 nan 0.000 0.455 112 K N 0.333 120.750 120.400 0.027 0.000 3.135 112 K HA 0.353 4.674 4.320 0.001 0.000 0.210 112 K C -0.901 175.705 176.600 0.010 0.000 1.176 112 K CA -0.441 55.857 56.287 0.018 0.000 1.064 112 K CB 1.171 33.683 32.500 0.021 0.000 1.009 112 K HN 0.013 nan 8.250 nan 0.000 0.472 113 A N 2.699 125.524 122.820 0.010 0.000 2.425 113 A HA 0.276 4.597 4.320 0.001 0.000 0.249 113 A C -1.726 175.856 177.584 -0.003 0.000 1.084 113 A CA -0.992 51.047 52.037 0.004 0.000 0.781 113 A CB -0.310 18.694 19.000 0.006 0.000 1.019 113 A HN 0.240 nan 8.150 nan 0.000 0.490 114 P HA 0.315 nan 4.420 nan 0.000 0.275 114 P C -0.860 176.429 177.300 -0.019 0.000 1.228 114 P CA -0.192 62.900 63.100 -0.012 0.000 0.786 114 P CB 0.851 32.541 31.700 -0.017 0.000 0.927 115 V N 2.781 122.682 119.914 -0.020 0.000 2.383 115 V HA 0.429 4.549 4.120 0.001 0.000 0.275 115 V C 0.794 176.855 176.094 -0.054 0.000 1.036 115 V CA 0.187 62.466 62.300 -0.035 0.000 0.889 115 V CB 0.687 32.504 31.823 -0.010 0.000 0.985 115 V HN 0.965 nan 8.190 nan 0.000 0.459 116 S N 3.087 118.743 115.700 -0.073 0.000 2.880 116 S HA 0.928 5.398 4.470 0.001 0.000 0.308 116 S C 0.433 174.979 174.600 -0.089 0.000 1.195 116 S CA -0.033 58.123 58.200 -0.074 0.000 0.866 116 S CB 1.165 64.331 63.200 -0.056 0.000 1.254 116 S HN 1.815 nan 8.310 nan 0.000 0.571 117 G N 1.434 110.189 108.800 -0.074 0.000 2.614 117 G HA2 -0.334 3.626 3.960 0.001 0.000 0.303 117 G HA3 -0.334 3.626 3.960 0.001 0.000 0.303 117 G C 0.299 175.150 174.900 -0.082 0.000 1.270 117 G CA 1.007 46.066 45.100 -0.069 0.000 0.988 117 G HN 0.826 nan 8.290 nan 0.000 0.551 118 D N 0.748 121.098 120.400 -0.083 0.000 2.158 118 D HA -0.051 4.590 4.640 0.001 0.000 0.197 118 D C 2.400 178.621 176.300 -0.133 0.000 0.995 118 D CA 1.891 55.840 54.000 -0.084 0.000 0.846 118 D CB -0.289 40.467 40.800 -0.073 0.000 0.941 118 D HN 0.611 nan 8.370 nan 0.000 0.456 119 E N 0.209 120.267 120.200 -0.238 0.000 2.072 119 E HA -0.099 4.251 4.350 0.001 0.000 0.191 119 E C 1.970 178.448 176.600 -0.203 0.000 0.985 119 E CA 0.196 56.322 56.400 -0.457 0.000 0.801 119 E CB -0.285 29.011 29.700 -0.674 0.000 0.750 119 E HN 0.146 nan 8.360 nan 0.000 0.452 120 L N 0.545 121.688 121.223 -0.133 0.000 2.093 120 L HA -0.148 4.193 4.340 0.001 0.000 0.208 120 L C 2.143 178.967 176.870 -0.078 0.000 1.085 120 L CA 1.648 56.435 54.840 -0.088 0.000 0.755 120 L CB -0.370 41.626 42.059 -0.106 0.000 0.904 120 L HN 0.028 nan 8.230 nan 0.000 0.435 121 Q N -0.165 119.594 119.800 -0.069 0.000 2.084 121 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 121 Q C 2.208 178.216 176.000 0.014 0.000 0.978 121 Q CA 1.976 57.757 55.803 -0.036 0.000 0.844 121 Q CB -0.485 28.239 28.738 -0.023 0.000 0.898 121 Q HN 0.600 nan 8.270 nan 0.000 0.426 122 A N -0.027 122.808 122.820 0.025 0.000 1.902 122 A HA -0.147 4.174 4.320 0.001 0.000 0.217 122 A C 2.091 179.742 177.584 0.111 0.000 1.181 122 A CA 1.395 53.480 52.037 0.080 0.000 0.623 122 A CB -0.740 18.334 19.000 0.123 0.000 0.818 122 A HN 0.440 nan 8.150 nan 0.000 0.443 123 L N -1.354 119.934 121.223 0.108 0.000 2.093 123 L HA -0.167 4.174 4.340 0.001 0.000 0.208 123 L C 2.887 179.847 176.870 0.149 0.000 1.085 123 L CA 1.385 56.298 54.840 0.122 0.000 0.755 123 L CB -0.470 41.646 42.059 0.096 0.000 0.904 123 L HN 0.370 nan 8.230 nan 0.000 0.435 124 R N -0.129 120.423 120.500 0.087 0.000 2.075 124 R HA -0.135 4.205 4.340 0.001 0.000 0.232 124 R C 1.912 178.392 176.300 0.301 0.000 1.126 124 R CA 1.414 57.599 56.100 0.142 0.000 0.963 124 R CB -0.265 29.987 30.300 -0.080 0.000 0.858 124 R HN 0.328 nan 8.270 nan 0.000 0.435 125 D N 0.259 120.775 120.400 0.194 0.000 2.117 125 D HA -0.170 4.471 4.640 0.001 0.000 0.197 125 D C 1.906 178.306 176.300 0.167 0.000 0.987 125 D CA 1.144 55.249 54.000 0.175 0.000 0.829 125 D CB -0.168 40.698 40.800 0.111 0.000 0.961 125 D HN 0.044 nan 8.370 nan 0.000 0.460 126 Q N -0.428 119.466 119.800 0.157 0.000 2.167 126 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 126 Q C 1.821 177.905 176.000 0.140 0.000 0.970 126 Q CA 1.085 56.960 55.803 0.120 0.000 0.855 126 Q CB -0.574 28.227 28.738 0.105 0.000 0.911 126 Q HN 0.469 nan 8.270 nan 0.000 0.438 127 W N -0.148 121.202 121.300 0.084 0.000 2.358 127 W HA -0.211 4.451 4.660 0.002 0.000 0.303 127 W C 1.568 178.145 176.519 0.098 0.000 1.208 127 W CA 1.546 58.951 57.345 0.100 0.000 1.274 127 W CB -0.496 29.047 29.460 0.139 0.000 1.138 127 W HN 0.310 nan 8.180 nan 0.000 0.515 128 L N 0.600 121.862 121.223 0.065 0.000 2.046 128 L HA -0.168 4.173 4.340 0.001 0.000 0.208 128 L C 2.324 179.060 176.870 -0.224 0.000 1.077 128 L CA 2.125 56.862 54.840 -0.171 0.000 0.747 128 L CB -1.373 40.772 42.059 0.142 0.000 0.896 128 L HN -0.003 nan 8.230 nan 0.000 0.432 129 V N -0.326 119.530 119.914 -0.096 0.000 2.287 129 V HA -0.294 3.826 4.120 0.001 0.000 0.248 129 V C 2.523 178.542 176.094 -0.124 0.000 1.053 129 V CA 1.887 64.140 62.300 -0.078 0.000 1.027 129 V CB -0.844 30.966 31.823 -0.022 0.000 0.646 129 V HN 0.564 nan 8.190 nan 0.000 0.447 130 L N 1.007 122.129 121.223 -0.167 0.000 2.046 130 L HA -0.041 4.300 4.340 0.001 0.000 0.208 130 L C 2.409 179.141 176.870 -0.231 0.000 1.077 130 L CA 2.404 57.145 54.840 -0.165 0.000 0.747 130 L CB -0.982 40.986 42.059 -0.151 0.000 0.896 130 L HN 0.190 nan 8.230 nan 0.000 0.432 131 A N -1.076 121.437 122.820 -0.512 0.000 1.933 131 A HA -0.231 4.090 4.320 0.001 0.000 0.218 131 A C 2.214 179.664 177.584 -0.222 0.000 1.175 131 A CA 1.761 53.508 52.037 -0.483 0.000 0.628 131 A CB -0.559 17.834 19.000 -1.010 0.000 0.814 131 A HN 0.680 nan 8.150 nan 0.000 0.444 132 Q N -0.754 118.919 119.800 -0.211 0.000 2.079 132 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 132 Q C 2.444 178.380 176.000 -0.106 0.000 0.974 132 Q CA 1.279 57.001 55.803 -0.135 0.000 0.840 132 Q CB -0.350 28.321 28.738 -0.111 0.000 0.898 132 Q HN 0.686 nan 8.270 nan 0.000 0.430 133 A N 0.785 123.559 122.820 -0.076 0.000 1.902 133 A HA -0.190 4.131 4.320 0.001 0.000 0.217 133 A C 1.738 179.308 177.584 -0.023 0.000 1.181 133 A CA 0.981 52.988 52.037 -0.050 0.000 0.623 133 A CB -1.026 17.967 19.000 -0.012 0.000 0.818 133 A HN 0.705 nan 8.150 nan 0.000 0.443 134 W N 0.664 121.887 121.300 -0.128 0.000 2.436 134 W HA -0.059 4.603 4.660 0.003 0.000 0.284 134 W C 2.175 178.628 176.519 -0.110 0.000 1.225 134 W CA 1.340 58.628 57.345 -0.096 0.000 1.271 134 W CB -0.120 29.300 29.460 -0.066 0.000 1.114 134 W HN 0.427 nan 8.180 nan 0.000 0.559 135 A N 0.550 123.241 122.820 -0.216 0.000 1.940 135 A HA -0.208 4.112 4.320 0.001 0.000 0.219 135 A C 2.104 179.483 177.584 -0.342 0.000 1.176 135 A CA 2.250 54.120 52.037 -0.277 0.000 0.631 135 A CB -1.052 17.850 19.000 -0.163 0.000 0.814 135 A HN 0.275 nan 8.150 nan 0.000 0.446 136 S N -0.270 115.250 115.700 -0.300 0.000 2.355 136 S HA 0.009 4.479 4.470 0.001 0.000 0.222 136 S C 2.282 176.621 174.600 -0.434 0.000 1.031 136 S CA 1.053 59.075 58.200 -0.297 0.000 0.993 136 S CB -0.456 62.610 63.200 -0.224 0.000 0.859 136 S HN 0.808 nan 8.310 nan 0.000 0.453 137 A N 1.272 123.741 122.820 -0.585 0.000 2.070 137 A HA -0.043 4.278 4.320 0.001 0.000 0.220 137 A C 1.123 178.151 177.584 -0.927 0.000 1.159 137 A CA 0.816 52.336 52.037 -0.862 0.000 0.656 137 A CB -0.276 18.182 19.000 -0.904 0.000 0.800 137 A HN 0.514 nan 8.150 nan 0.000 0.453 141 N N 2.461 121.192 118.700 0.052 0.000 2.234 141 N HA 0.218 4.958 4.740 0.001 0.000 0.227 141 N C -0.457 175.206 175.510 0.255 0.000 1.151 141 N CA -0.126 53.005 53.050 0.135 0.000 0.865 141 N CB 0.582 39.148 38.487 0.133 0.000 1.066 141 N HN 0.609 nan 8.380 nan 0.000 0.515 142 F N -2.605 117.433 119.950 0.147 0.000 2.675 142 F HA 0.874 5.401 4.527 0.000 0.000 0.324 142 F C 0.801 176.730 175.800 0.215 0.000 1.106 142 F CA -0.354 57.728 58.000 0.136 0.000 0.970 142 F CB 1.006 40.037 39.000 0.052 0.000 1.385 142 F HN 0.117 nan 8.300 nan 0.000 0.489 143 G N 0.567 109.527 108.800 0.266 0.000 2.525 143 G HA2 -0.212 3.748 3.960 0.001 0.000 0.248 143 G HA3 -0.212 3.748 3.960 0.001 0.000 0.248 143 G C -2.149 172.760 174.900 0.015 0.000 1.238 143 G CA -0.195 44.950 45.100 0.075 0.000 0.926 143 G HN 0.659 nan 8.290 nan 0.000 0.574 144 P HA -0.037 nan 4.420 nan 0.000 0.217 144 P C 2.156 179.458 177.300 0.004 0.000 1.151 144 P CA 3.225 66.274 63.100 -0.086 0.000 0.849 144 P CB -0.321 31.273 31.700 -0.177 0.000 0.787 145 A N -0.684 122.184 122.820 0.080 0.000 2.070 145 A HA -0.147 4.174 4.320 0.001 0.000 0.220 145 A C 2.090 179.782 177.584 0.180 0.000 1.159 145 A CA 2.180 54.320 52.037 0.172 0.000 0.656 145 A CB -1.657 17.562 19.000 0.366 0.000 0.800 145 A HN 0.378 nan 8.150 nan 0.000 0.453 146 T N -3.144 111.498 114.554 0.146 0.000 3.065 146 T HA 0.515 4.866 4.350 0.001 0.000 0.252 146 T C 0.819 175.583 174.700 0.107 0.000 1.099 146 T CA 0.451 62.636 62.100 0.141 0.000 1.063 146 T CB -0.389 68.569 68.868 0.150 0.000 0.948 146 T HN 0.612 nan 8.240 nan 0.000 0.506 147 A N 1.775 124.638 122.820 0.071 0.000 2.520 147 A HA 0.565 4.886 4.320 0.001 0.000 0.245 147 A C 0.911 178.525 177.584 0.051 0.000 1.072 147 A CA -0.113 51.950 52.037 0.044 0.000 0.761 147 A CB -0.756 18.246 19.000 0.003 0.000 1.004 147 A HN 0.763 nan 8.150 nan 0.000 0.499 151 N N 2.883 121.697 118.700 0.190 0.000 2.205 151 N HA -0.054 4.687 4.740 0.001 0.000 0.186 151 N C 1.532 177.136 175.510 0.157 0.000 1.015 151 N CA 1.415 54.597 53.050 0.220 0.000 0.862 151 N CB -0.906 37.785 38.487 0.340 0.000 0.986 151 N HN 0.520 nan 8.380 nan 0.000 0.429 152 L N -1.111 120.197 121.223 0.142 0.000 2.240 152 L HA 0.010 4.350 4.340 0.001 0.000 0.211 152 L C 1.759 178.691 176.870 0.103 0.000 1.106 152 L CA 0.668 55.553 54.840 0.075 0.000 0.793 152 L CB -0.369 41.690 42.059 -0.001 0.000 0.927 152 L HN 0.008 nan 8.230 nan 0.000 0.446 153 Y N -0.494 119.868 120.300 0.104 0.000 2.457 153 Y HA -0.088 4.462 4.550 0.001 0.000 0.292 153 Y C 2.232 178.121 175.900 -0.018 0.000 1.125 153 Y CA 0.907 59.043 58.100 0.060 0.000 1.254 153 Y CB -0.037 38.435 38.460 0.021 0.000 1.012 153 Y HN 0.088 nan 8.280 nan 0.000 0.555 154 I N -0.961 119.616 120.570 0.012 0.000 2.429 154 I HA -0.114 4.057 4.170 0.001 0.000 0.247 154 I C 0.257 176.233 176.117 -0.234 0.000 1.099 154 I CA 0.890 62.028 61.300 -0.271 0.000 1.422 154 I CB 0.143 37.713 38.000 -0.716 0.000 1.112 154 I HN 0.035 nan 8.210 nan 0.000 0.430 155 N N -0.280 118.380 118.700 -0.066 0.000 2.653 155 N HA 0.093 4.833 4.740 0.001 0.000 0.261 155 N C -1.356 174.281 175.510 0.212 0.000 1.216 155 N CA -0.472 52.646 53.050 0.113 0.000 0.784 155 N CB 0.397 39.015 38.487 0.219 0.000 1.327 155 N HN 0.024 nan 8.380 nan 0.000 0.539 156 Y N 4.032 124.414 120.300 0.136 0.000 2.620 156 Y HA 0.289 4.840 4.550 0.002 0.000 0.352 156 Y C -1.291 174.745 175.900 0.227 0.000 1.140 156 Y CA 0.211 58.385 58.100 0.124 0.000 1.529 156 Y CB -0.197 38.288 38.460 0.043 0.000 1.321 156 Y HN 0.470 nan 8.280 nan 0.000 0.501 157 Y N 6.294 126.540 120.300 -0.090 0.000 2.482 157 Y HA 0.482 5.033 4.550 0.001 0.000 0.334 157 Y C -2.477 173.389 175.900 -0.056 0.000 1.091 157 Y CA -2.564 55.546 58.100 0.017 0.000 1.027 157 Y CB 1.260 39.785 38.460 0.107 0.000 1.306 157 Y HN 0.446 nan 8.280 nan 0.000 0.446 158 P HA 0.188 nan 4.420 nan 0.000 0.271 158 P C -1.223 175.924 177.300 -0.254 0.000 1.233 158 P CA 0.081 62.684 63.100 -0.827 0.000 0.789 158 P CB 0.578 31.962 31.700 -0.526 0.000 0.951 159 D N -0.344 120.006 120.400 -0.084 0.000 2.613 159 D HA 0.069 4.709 4.640 0.001 0.000 0.312 159 D C 0.534 176.935 176.300 0.169 0.000 1.202 159 D CA -0.177 53.921 54.000 0.164 0.000 0.825 159 D CB -0.122 40.835 40.800 0.262 0.000 1.113 159 D HN 0.220 nan 8.370 nan 0.000 0.502 160 E N 0.017 120.250 120.200 0.054 0.000 2.209 160 E HA -0.125 4.226 4.350 0.001 0.000 0.196 160 E C 1.259 177.898 176.600 0.065 0.000 0.993 160 E CA 0.875 57.277 56.400 0.003 0.000 0.819 160 E CB 0.332 30.011 29.700 -0.036 0.000 0.745 160 E HN 0.320 nan 8.360 nan 0.000 0.477 161 R N -0.680 119.878 120.500 0.097 0.000 2.362 161 R HA 0.119 4.459 4.340 0.001 0.000 0.227 161 R C 0.677 177.041 176.300 0.107 0.000 0.905 161 R CA 0.417 56.568 56.100 0.085 0.000 1.067 161 R CB 0.811 31.145 30.300 0.056 0.000 1.078 161 R HN 0.137 nan 8.270 nan 0.000 0.516 162 G N 1.951 110.846 108.800 0.157 0.000 2.338 162 G HA2 -0.259 3.702 3.960 0.001 0.000 0.296 162 G HA3 -0.259 3.702 3.960 0.001 0.000 0.296 162 G C 0.579 175.516 174.900 0.062 0.000 1.040 162 G CA 0.042 45.203 45.100 0.102 0.000 1.004 162 G HN 0.295 nan 8.290 nan 0.000 0.509 163 L N -0.958 120.287 121.223 0.037 0.000 2.217 163 L HA -0.053 4.288 4.340 0.001 0.000 0.211 163 L C 2.851 179.692 176.870 -0.048 0.000 1.107 163 L CA 0.882 55.707 54.840 -0.025 0.000 0.783 163 L CB -0.430 41.573 42.059 -0.093 0.000 0.919 163 L HN 0.334 nan 8.230 nan 0.000 0.442 164 V N -0.372 119.531 119.914 -0.019 0.000 2.261 164 V HA -0.331 3.790 4.120 0.001 0.000 0.246 164 V C 2.463 178.547 176.094 -0.017 0.000 1.047 164 V CA 2.157 64.447 62.300 -0.017 0.000 1.015 164 V CB -0.683 31.166 31.823 0.043 0.000 0.642 164 V HN 0.501 nan 8.190 nan 0.000 0.446 165 H N 0.933 119.960 119.070 -0.071 0.000 2.252 165 H HA -0.180 4.376 4.556 0.001 0.000 0.292 165 H C 2.204 177.484 175.328 -0.080 0.000 1.082 165 H CA 2.468 58.468 56.048 -0.080 0.000 1.229 165 H CB -0.862 28.852 29.762 -0.079 0.000 1.353 165 H HN 0.341 nan 8.280 nan 0.000 0.488 166 G N -1.182 107.511 108.800 -0.179 0.000 2.408 166 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 166 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 166 G C 1.947 176.740 174.900 -0.179 0.000 1.150 166 G CA 0.609 45.585 45.100 -0.207 0.000 0.776 166 G HN 0.639 nan 8.290 nan 0.000 0.542 167 G N 0.413 109.132 108.800 -0.134 0.000 2.408 167 G HA2 -0.106 3.854 3.960 0.001 0.000 0.217 167 G HA3 -0.106 3.854 3.960 0.001 0.000 0.217 167 G C 1.758 176.572 174.900 -0.144 0.000 1.150 167 G CA 1.133 46.163 45.100 -0.117 0.000 0.776 167 G HN 0.303 nan 8.290 nan 0.000 0.542 168 V N 1.582 121.379 119.914 -0.194 0.000 2.261 168 V HA -0.130 3.990 4.120 0.001 0.000 0.246 168 V C 3.343 179.245 176.094 -0.319 0.000 1.047 168 V CA 2.093 64.218 62.300 -0.292 0.000 1.015 168 V CB -0.924 30.691 31.823 -0.348 0.000 0.642 168 V HN 0.462 nan 8.190 nan 0.000 0.446 169 A N -0.142 122.503 122.820 -0.292 0.000 1.908 169 A HA -0.269 4.051 4.320 0.001 0.000 0.218 169 A C 1.997 179.481 177.584 -0.166 0.000 1.181 169 A CA 2.089 53.982 52.037 -0.239 0.000 0.627 169 A CB -0.695 18.155 19.000 -0.250 0.000 0.818 169 A HN 0.557 nan 8.150 nan 0.000 0.445 170 D N -0.461 119.852 120.400 -0.144 0.000 2.123 170 D HA -0.146 4.495 4.640 0.001 0.000 0.196 170 D C 1.853 178.109 176.300 -0.073 0.000 0.992 170 D CA 1.411 55.355 54.000 -0.093 0.000 0.833 170 D CB -0.430 40.323 40.800 -0.078 0.000 0.954 170 D HN 0.370 nan 8.370 nan 0.000 0.455 171 L N 0.700 121.875 121.223 -0.080 0.000 2.046 171 L HA -0.092 4.249 4.340 0.001 0.000 0.208 171 L C 2.195 179.051 176.870 -0.023 0.000 1.077 171 L CA 1.229 56.049 54.840 -0.035 0.000 0.747 171 L CB -0.267 41.788 42.059 -0.007 0.000 0.896 171 L HN -0.022 nan 8.230 nan 0.000 0.432 172 I N -1.281 119.243 120.570 -0.077 0.000 2.252 172 I HA -0.271 3.900 4.170 0.001 0.000 0.245 172 I C 2.186 178.285 176.117 -0.030 0.000 1.102 172 I CA 1.556 62.827 61.300 -0.048 0.000 1.385 172 I CB -0.699 37.227 38.000 -0.122 0.000 1.064 172 I HN 0.245 nan 8.210 nan 0.000 0.414 173 T N 0.773 115.299 114.554 -0.048 0.000 2.746 173 T HA -0.142 4.208 4.350 0.001 0.000 0.267 173 T C 2.029 176.718 174.700 -0.018 0.000 1.039 173 T CA 1.516 63.595 62.100 -0.034 0.000 1.142 173 T CB -0.272 68.570 68.868 -0.043 0.000 0.866 173 T HN 0.475 nan 8.240 nan 0.000 0.444 174 A N 1.616 124.426 122.820 -0.016 0.000 1.968 174 A HA 0.055 4.375 4.320 0.001 0.000 0.217 174 A C 0.842 178.430 177.584 0.006 0.000 1.169 174 A CA 0.786 52.819 52.037 -0.006 0.000 0.638 174 A CB -0.166 18.831 19.000 -0.006 0.000 0.812 174 A HN 0.535 nan 8.150 nan 0.000 0.446 175 N N -0.595 118.114 118.700 0.016 0.000 2.746 175 N HA 0.357 5.098 4.740 0.001 0.000 0.250 175 N C -2.637 172.895 175.510 0.036 0.000 1.146 175 N CA -1.131 51.936 53.050 0.029 0.000 0.828 175 N CB 1.597 40.111 38.487 0.044 0.000 1.158 175 N HN 0.034 nan 8.380 nan 0.000 0.519 176 P HA 0.019 nan 4.420 nan 0.000 0.229 176 P C 0.092 177.411 177.300 0.032 0.000 1.160 176 P CA 0.599 63.715 63.100 0.026 0.000 0.777 176 P CB 0.462 32.170 31.700 0.013 0.000 0.814 177 A N -0.351 122.486 122.820 0.029 0.000 3.041 177 A HA 0.328 4.649 4.320 0.001 0.000 0.307 177 A C -0.045 177.557 177.584 0.030 0.000 1.116 177 A CA -0.510 51.543 52.037 0.027 0.000 1.001 177 A CB -0.959 18.052 19.000 0.018 0.000 1.112 177 A HN 0.067 nan 8.150 nan 0.000 0.556 178 L N 1.929 123.179 121.223 0.044 0.000 2.456 178 L HA 0.401 4.741 4.340 0.001 0.000 0.272 178 L C 0.816 177.701 176.870 0.026 0.000 1.189 178 L CA 1.061 55.929 54.840 0.045 0.000 0.846 178 L CB 0.732 42.842 42.059 0.084 0.000 1.111 178 L HN 0.509 nan 8.230 nan 0.000 0.475 179 T N 1.567 116.130 114.554 0.014 0.000 2.940 179 T HA 0.672 5.023 4.350 0.001 0.000 0.288 179 T C 1.022 175.713 174.700 -0.014 0.000 1.033 179 T CA -0.317 61.784 62.100 0.002 0.000 1.033 179 T CB 1.454 70.323 68.868 0.000 0.000 1.079 179 T HN 0.721 nan 8.240 nan 0.000 0.496 180 A N 1.036 123.840 122.820 -0.026 0.000 1.908 180 A HA -0.077 4.244 4.320 0.001 0.000 0.218 180 A C 2.034 179.591 177.584 -0.044 0.000 1.181 180 A CA 1.848 53.856 52.037 -0.048 0.000 0.627 180 A CB -1.064 17.897 19.000 -0.064 0.000 0.818 180 A HN 0.917 nan 8.150 nan 0.000 0.445 181 E N -0.090 120.088 120.200 -0.037 0.000 2.150 181 E HA -0.154 4.197 4.350 0.001 0.000 0.193 181 E C 2.116 178.702 176.600 -0.024 0.000 0.985 181 E CA 1.240 57.619 56.400 -0.036 0.000 0.814 181 E CB -0.281 29.400 29.700 -0.032 0.000 0.752 181 E HN 0.744 nan 8.360 nan 0.000 0.466 182 Q N -0.056 119.738 119.800 -0.011 0.000 2.167 182 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 182 Q C 1.994 178.003 176.000 0.015 0.000 0.970 182 Q CA 0.731 56.537 55.803 0.004 0.000 0.855 182 Q CB -0.068 28.677 28.738 0.013 0.000 0.911 182 Q HN 0.329 nan 8.270 nan 0.000 0.438 183 L N -0.070 121.161 121.223 0.013 0.000 2.275 183 L HA -0.149 4.192 4.340 0.001 0.000 0.215 183 L C 2.366 179.265 176.870 0.049 0.000 1.119 183 L CA 0.573 55.437 54.840 0.041 0.000 0.790 183 L CB -0.461 41.611 42.059 0.022 0.000 0.919 183 L HN 0.204 nan 8.230 nan 0.000 0.443 184 A N 0.104 122.917 122.820 -0.012 0.000 1.978 184 A HA -0.204 4.116 4.320 0.001 0.000 0.220 184 A C 1.866 179.438 177.584 -0.020 0.000 1.170 184 A CA 1.893 53.887 52.037 -0.071 0.000 0.636 184 A CB -0.395 18.549 19.000 -0.092 0.000 0.810 184 A HN 0.419 nan 8.150 nan 0.000 0.448 185 N N -0.081 118.631 118.700 0.022 0.000 2.280 185 N HA 0.066 4.807 4.740 0.001 0.000 0.192 185 N C -0.140 175.416 175.510 0.078 0.000 1.109 185 N CA 0.234 53.309 53.050 0.043 0.000 0.855 185 N CB 0.206 38.707 38.487 0.024 0.000 0.974 185 N HN 0.430 nan 8.380 nan 0.000 0.482 186 E N 0.203 120.465 120.200 0.104 0.000 2.283 186 E HA 0.181 4.532 4.350 0.001 0.000 0.267 186 E C 0.201 176.897 176.600 0.161 0.000 1.045 186 E CA -0.324 56.139 56.400 0.106 0.000 0.884 186 E CB 1.107 30.863 29.700 0.094 0.000 1.106 186 E HN 0.145 nan 8.360 nan 0.000 0.408 187 S N -0.149 115.594 115.700 0.071 0.000 2.573 187 S HA 0.168 4.639 4.470 0.001 0.000 0.277 187 S C 1.129 175.669 174.600 -0.100 0.000 1.346 187 S CA -0.041 58.151 58.200 -0.014 0.000 1.034 187 S CB 1.106 64.252 63.200 -0.090 0.000 0.879 187 S HN 0.573 nan 8.310 nan 0.000 0.528 188 A N 2.133 124.694 122.820 -0.432 0.000 2.019 188 A HA 0.006 4.327 4.320 0.001 0.000 0.219 188 A C 2.065 179.494 177.584 -0.258 0.000 1.164 188 A CA 1.304 52.982 52.037 -0.598 0.000 0.644 188 A CB -0.995 17.457 19.000 -0.914 0.000 0.805 188 A HN 0.830 nan 8.150 nan 0.000 0.449 189 V N 0.169 119.829 119.914 -0.424 0.000 2.759 189 V HA -0.167 3.954 4.120 0.001 0.000 0.256 189 V C 2.072 178.073 176.094 -0.154 0.000 1.080 189 V CA 1.908 63.924 62.300 -0.473 0.000 1.101 189 V CB 0.048 31.503 31.823 -0.612 0.000 0.698 189 V HN 0.650 nan 8.190 nan 0.000 0.477 190 V N -1.164 118.713 119.914 -0.062 0.000 3.271 190 V HA 0.352 4.473 4.120 0.001 0.000 0.327 190 V C 0.241 176.452 176.094 0.194 0.000 1.389 190 V CA 0.145 62.468 62.300 0.038 0.000 1.156 190 V CB -0.541 31.297 31.823 0.027 0.000 1.103 190 V HN 0.719 nan 8.190 nan 0.000 0.453 191 Q N -0.733 119.166 119.800 0.165 0.000 2.943 191 Q HA 0.742 5.083 4.340 0.001 0.000 0.341 191 Q C 0.363 176.462 176.000 0.164 0.000 0.858 191 Q CA -0.426 55.495 55.803 0.197 0.000 0.804 191 Q CB 1.195 30.023 28.738 0.149 0.000 1.399 191 Q HN 0.971 nan 8.270 nan 0.000 0.511 192 G N 0.195 109.068 108.800 0.121 0.000 2.645 192 G HA2 -0.287 3.674 3.960 0.001 0.000 0.239 192 G HA3 -0.287 3.674 3.960 0.001 0.000 0.239 192 G C 0.437 175.436 174.900 0.164 0.000 1.331 192 G CA 0.087 45.241 45.100 0.089 0.000 0.890 192 G HN 0.723 nan 8.290 nan 0.000 0.572 193 I N 2.204 122.865 120.570 0.151 0.000 2.163 193 I HA -0.114 4.057 4.170 0.001 0.000 0.243 193 I C 0.500 176.914 176.117 0.495 0.000 1.085 193 I CA 2.244 63.748 61.300 0.340 0.000 1.347 193 I CB -0.859 37.242 38.000 0.169 0.000 1.044 193 I HN 0.511 nan 8.210 nan 0.000 0.408 194 P HA -0.079 nan 4.420 nan 0.000 0.222 194 P C 1.603 179.014 177.300 0.186 0.000 1.153 194 P CA 1.722 64.987 63.100 0.274 0.000 0.798 194 P CB -0.179 31.678 31.700 0.262 0.000 0.796 195 G N 0.790 109.719 108.800 0.214 0.000 2.404 195 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 195 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 195 G C 1.665 176.737 174.900 0.288 0.000 1.174 195 G CA 0.440 45.683 45.100 0.238 0.000 0.780 195 G HN 0.208 nan 8.290 nan 0.000 0.537 196 L N 0.132 121.539 121.223 0.306 0.000 2.083 196 L HA -0.036 4.305 4.340 0.001 0.000 0.209 196 L C 2.765 179.603 176.870 -0.053 0.000 1.083 196 L CA 1.442 56.435 54.840 0.254 0.000 0.752 196 L CB -0.309 41.959 42.059 0.349 0.000 0.899 196 L HN 0.358 nan 8.230 nan 0.000 0.433 197 E N 0.190 120.226 120.200 -0.273 0.000 2.058 197 E HA -0.308 4.042 4.350 0.001 0.000 0.194 197 E C 2.051 178.508 176.600 -0.239 0.000 0.997 197 E CA 1.592 57.566 56.400 -0.710 0.000 0.801 197 E CB 0.104 29.399 29.700 -0.676 0.000 0.746 197 E HN 0.321 nan 8.360 nan 0.000 0.450 198 E N 0.472 120.611 120.200 -0.102 0.000 2.051 198 E HA -0.138 4.213 4.350 0.001 0.000 0.192 198 E C 1.736 178.304 176.600 -0.054 0.000 0.991 198 E CA 1.640 58.012 56.400 -0.047 0.000 0.799 198 E CB -0.408 29.267 29.700 -0.042 0.000 0.748 198 E HN 0.336 nan 8.360 nan 0.000 0.449 199 A N 0.146 122.928 122.820 -0.064 0.000 1.930 199 A HA -0.076 4.245 4.320 0.001 0.000 0.217 199 A C 2.290 179.850 177.584 -0.040 0.000 1.175 199 A CA 1.286 53.281 52.037 -0.071 0.000 0.627 199 A CB -0.579 18.437 19.000 0.027 0.000 0.815 199 A HN 0.333 nan 8.150 nan 0.000 0.443 200 L N -2.734 118.457 121.223 -0.055 0.000 2.240 200 L HA -0.050 4.291 4.340 0.001 0.000 0.211 200 L C 1.682 178.373 176.870 -0.298 0.000 1.106 200 L CA 0.842 55.590 54.840 -0.153 0.000 0.793 200 L CB -0.173 41.778 42.059 -0.180 0.000 0.927 200 L HN 0.474 nan 8.230 nan 0.000 0.446 201 Y N -1.452 118.756 120.300 -0.153 0.000 2.467 201 Y HA 0.261 4.812 4.550 0.001 0.000 0.250 201 Y C 2.148 178.000 175.900 -0.079 0.000 1.155 201 Y CA 0.157 58.184 58.100 -0.122 0.000 1.249 201 Y CB 0.037 38.399 38.460 -0.163 0.000 1.146 201 Y HN 0.026 nan 8.280 nan 0.000 0.524 202 A N 0.118 122.953 122.820 0.024 0.000 1.933 202 A HA -0.069 4.251 4.320 0.001 0.000 0.218 202 A C 0.931 178.514 177.584 -0.002 0.000 1.175 202 A CA 1.400 53.443 52.037 0.010 0.000 0.628 202 A CB -0.143 18.834 19.000 -0.038 0.000 0.814 202 A HN 0.300 nan 8.150 nan 0.000 0.444 203 N N -1.571 117.110 118.700 -0.032 0.000 2.853 203 N HA 0.198 4.939 4.740 0.001 0.000 0.258 203 N C -1.315 174.158 175.510 -0.062 0.000 1.444 203 N CA 0.081 53.109 53.050 -0.036 0.000 0.837 203 N CB 0.888 39.353 38.487 -0.036 0.000 1.489 203 N HN 0.255 nan 8.380 nan 0.000 0.529 204 D N -1.067 119.301 120.400 -0.053 0.000 2.336 204 D HA 0.106 4.747 4.640 0.001 0.000 0.228 204 D C -0.322 175.939 176.300 -0.065 0.000 1.120 204 D CA 0.158 54.118 54.000 -0.066 0.000 0.839 204 D CB 0.137 40.910 40.800 -0.045 0.000 0.932 204 D HN 0.193 nan 8.370 nan 0.000 0.509 205 S N -0.399 115.265 115.700 -0.060 0.000 2.535 205 S HA 0.520 4.991 4.470 0.001 0.000 0.272 205 S C -1.643 172.930 174.600 -0.045 0.000 1.149 205 S CA -0.876 57.294 58.200 -0.050 0.000 0.888 205 S CB 0.827 64.004 63.200 -0.038 0.000 1.110 205 S HN 0.168 nan 8.310 nan 0.000 0.463 206 L N 4.428 125.629 121.223 -0.037 0.000 2.287 206 L HA 0.480 4.821 4.340 0.001 0.000 0.287 206 L C -0.212 176.650 176.870 -0.013 0.000 1.022 206 L CA -0.879 53.947 54.840 -0.022 0.000 0.814 206 L CB 1.404 43.458 42.059 -0.010 0.000 1.217 206 L HN 0.745 nan 8.230 nan 0.000 0.420 207 D N 2.390 122.783 120.400 -0.010 0.000 2.478 207 D HA 0.294 4.935 4.640 0.001 0.000 0.269 207 D C 1.098 177.401 176.300 0.004 0.000 1.232 207 D CA -0.205 53.792 54.000 -0.006 0.000 1.059 207 D CB 0.916 41.710 40.800 -0.010 0.000 1.104 207 D HN 0.414 nan 8.370 nan 0.000 0.566 208 A N -0.099 122.724 122.820 0.005 0.000 1.892 208 A HA -0.057 4.264 4.320 0.001 0.000 0.218 208 A C 2.123 179.720 177.584 0.021 0.000 1.188 208 A CA 2.472 54.516 52.037 0.011 0.000 0.631 208 A CB -1.727 17.278 19.000 0.008 0.000 0.822 208 A HN 0.688 nan 8.150 nan 0.000 0.447 209 G N -1.346 107.465 108.800 0.019 0.000 2.402 209 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 209 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 209 G C 1.612 176.546 174.900 0.056 0.000 1.162 209 G CA 1.012 46.130 45.100 0.031 0.000 0.777 209 G HN 0.623 nan 8.290 nan 0.000 0.539 210 Q N -0.831 118.992 119.800 0.037 0.000 2.119 210 Q HA -0.068 4.273 4.340 0.001 0.000 0.201 210 Q C 2.641 178.703 176.000 0.102 0.000 0.972 210 Q CA 1.081 56.918 55.803 0.056 0.000 0.847 210 Q CB -0.292 28.451 28.738 0.007 0.000 0.903 210 Q HN 0.488 nan 8.270 nan 0.000 0.433 211 c N -0.198 118.439 118.600 0.062 0.000 2.429 211 c HA -0.116 4.455 4.570 0.001 0.000 0.277 211 c C 2.813 176.934 174.090 0.052 0.000 1.262 211 c CA 0.909 57.268 56.329 0.049 0.000 1.733 211 c CB -0.980 41.545 42.510 0.026 0.000 2.010 211 c HN 0.657 nan 8.230 nan 0.000 0.483 212 A N -1.328 121.528 122.820 0.060 0.000 1.933 212 A HA -0.210 4.111 4.320 0.001 0.000 0.218 212 A C 1.950 179.574 177.584 0.066 0.000 1.175 212 A CA 1.793 53.862 52.037 0.053 0.000 0.628 212 A CB -0.904 18.128 19.000 0.053 0.000 0.814 212 A HN 0.737 nan 8.150 nan 0.000 0.444 213 Y N 0.517 120.824 120.300 0.012 0.000 2.163 213 Y HA 0.006 4.557 4.550 0.001 0.000 0.288 213 Y C 1.215 177.135 175.900 0.033 0.000 1.136 213 Y CA 1.095 59.206 58.100 0.018 0.000 1.147 213 Y CB -0.423 38.039 38.460 0.005 0.000 0.987 213 Y HN 0.082 nan 8.280 nan 0.000 0.509 217 A N 2.231 124.851 122.820 -0.335 0.000 1.898 217 A HA -0.017 4.303 4.320 0.001 0.000 0.216 217 A C 2.132 179.655 177.584 -0.102 0.000 1.181 217 A CA 2.304 54.159 52.037 -0.303 0.000 0.620 217 A CB -0.890 17.770 19.000 -0.566 0.000 0.819 217 A HN 0.771 nan 8.150 nan 0.000 0.442 218 S N -0.600 115.085 115.700 -0.024 0.000 2.383 218 S HA -0.138 4.333 4.470 0.001 0.000 0.227 218 S C 2.130 176.749 174.600 0.031 0.000 1.026 218 S CA 1.545 59.780 58.200 0.059 0.000 0.981 218 S CB -0.709 62.568 63.200 0.128 0.000 0.818 218 S HN 0.552 nan 8.310 nan 0.000 0.472 219 S N 2.149 117.858 115.700 0.015 0.000 2.355 219 S HA 0.045 4.516 4.470 0.001 0.000 0.222 219 S C 2.149 176.670 174.600 -0.133 0.000 1.031 219 S CA 1.155 59.240 58.200 -0.192 0.000 0.993 219 S CB -0.917 62.122 63.200 -0.268 0.000 0.859 219 S HN 0.748 nan 8.310 nan 0.000 0.453 220 A N 1.261 124.026 122.820 -0.093 0.000 1.933 220 A HA 0.027 4.348 4.320 0.001 0.000 0.218 220 A C 2.142 179.680 177.584 -0.076 0.000 1.175 220 A CA 1.569 53.557 52.037 -0.082 0.000 0.628 220 A CB -0.845 18.115 19.000 -0.066 0.000 0.814 220 A HN 0.555 nan 8.150 nan 0.000 0.444 221 L N 0.147 121.332 121.223 -0.065 0.000 2.017 221 L HA -0.011 4.330 4.340 0.001 0.000 0.208 221 L C 2.454 179.278 176.870 -0.075 0.000 1.073 221 L CA 2.281 57.078 54.840 -0.072 0.000 0.745 221 L CB -1.247 40.781 42.059 -0.053 0.000 0.894 221 L HN 0.313 nan 8.230 nan 0.000 0.432 222 G N -1.848 106.913 108.800 -0.064 0.000 2.476 222 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 222 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 222 G C 1.453 176.313 174.900 -0.066 0.000 1.164 222 G CA 1.367 46.431 45.100 -0.059 0.000 0.768 222 G HN 0.437 nan 8.290 nan 0.000 0.560 223 T N 0.480 114.984 114.554 -0.084 0.000 2.746 223 T HA -0.087 4.263 4.350 0.001 0.000 0.267 223 T C 2.503 177.159 174.700 -0.074 0.000 1.039 223 T CA 1.282 63.334 62.100 -0.080 0.000 1.142 223 T CB -0.144 68.670 68.868 -0.090 0.000 0.866 223 T HN 0.274 nan 8.240 nan 0.000 0.444 224 R N 0.393 120.843 120.500 -0.083 0.000 2.075 224 R HA 0.083 4.424 4.340 0.001 0.000 0.232 224 R C 2.487 178.741 176.300 -0.076 0.000 1.126 224 R CA 1.000 57.047 56.100 -0.088 0.000 0.963 224 R CB -0.488 29.752 30.300 -0.101 0.000 0.858 224 R HN 0.351 nan 8.270 nan 0.000 0.435 225 L N 0.538 121.724 121.223 -0.062 0.000 2.093 225 L HA -0.158 4.183 4.340 0.001 0.000 0.208 225 L C 2.304 179.178 176.870 0.006 0.000 1.085 225 L CA 1.393 56.230 54.840 -0.005 0.000 0.755 225 L CB -0.269 41.811 42.059 0.035 0.000 0.904 225 L HN 0.103 nan 8.230 nan 0.000 0.435 226 K N -0.197 120.197 120.400 -0.011 0.000 2.148 226 K HA -0.145 4.176 4.320 0.001 0.000 0.204 226 K C 1.634 178.222 176.600 -0.021 0.000 1.050 226 K CA 1.247 57.530 56.287 -0.006 0.000 0.942 226 K CB -0.013 32.477 32.500 -0.017 0.000 0.724 226 K HN 0.198 nan 8.250 nan 0.000 0.446 227 D N 0.710 121.085 120.400 -0.041 0.000 2.144 227 D HA -0.106 4.534 4.640 0.001 0.000 0.200 227 D C 1.694 177.957 176.300 -0.061 0.000 0.978 227 D CA 0.960 54.929 54.000 -0.051 0.000 0.833 227 D CB -0.013 40.749 40.800 -0.062 0.000 0.961 227 D HN 0.149 nan 8.370 nan 0.000 0.470 228 I N 0.663 121.180 120.570 -0.088 0.000 2.202 228 I HA -0.181 3.989 4.170 0.001 0.000 0.242 228 I C 2.413 178.475 176.117 -0.091 0.000 1.091 228 I CA 0.921 62.127 61.300 -0.157 0.000 1.368 228 I CB -0.157 37.649 38.000 -0.324 0.000 1.058 228 I HN -0.004 nan 8.210 nan 0.000 0.410 229 E N 1.604 121.782 120.200 -0.037 0.000 2.058 229 E HA -0.278 4.073 4.350 0.001 0.000 0.194 229 E C 2.131 178.785 176.600 0.090 0.000 0.997 229 E CA 1.481 57.931 56.400 0.083 0.000 0.801 229 E CB 0.068 29.823 29.700 0.092 0.000 0.746 229 E HN 0.397 nan 8.360 nan 0.000 0.450 230 K N 0.268 120.688 120.400 0.034 0.000 2.097 230 K HA -0.130 4.191 4.320 0.001 0.000 0.206 230 K C 2.158 178.764 176.600 0.010 0.000 1.049 230 K CA 0.982 57.280 56.287 0.019 0.000 0.933 230 K CB -0.164 32.333 32.500 -0.006 0.000 0.717 230 K HN 0.111 nan 8.250 nan 0.000 0.442 231 N N 0.323 119.012 118.700 -0.018 0.000 2.106 231 N HA -0.156 4.585 4.740 0.001 0.000 0.188 231 N C 1.544 176.988 175.510 -0.111 0.000 1.029 231 N CA 1.234 54.233 53.050 -0.086 0.000 0.848 231 N CB -0.145 38.258 38.487 -0.140 0.000 1.007 231 N HN 0.235 nan 8.380 nan 0.000 0.423 232 W N 1.400 122.658 121.300 -0.070 0.000 2.358 232 W HA -0.102 4.558 4.660 -0.001 0.000 0.303 232 W C 2.656 179.158 176.519 -0.027 0.000 1.208 232 W CA 0.924 58.245 57.345 -0.040 0.000 1.274 232 W CB -0.368 29.086 29.460 -0.011 0.000 1.138 232 W HN 0.213 nan 8.180 nan 0.000 0.515 233 Q N 0.272 120.188 119.800 0.193 0.000 2.124 233 Q HA -0.251 4.090 4.340 0.001 0.000 0.202 233 Q C 2.055 178.087 176.000 0.054 0.000 0.977 233 Q CA 2.055 57.923 55.803 0.108 0.000 0.850 233 Q CB -0.365 28.416 28.738 0.071 0.000 0.901 233 Q HN 0.268 nan 8.270 nan 0.000 0.429 234 Q N -0.316 119.495 119.800 0.019 0.000 2.089 234 Q HA 0.049 4.390 4.340 0.001 0.000 0.195 234 Q C 0.510 176.489 176.000 -0.034 0.000 0.963 234 Q CA 1.507 57.302 55.803 -0.013 0.000 0.834 234 Q CB 0.257 28.977 28.738 -0.031 0.000 0.906 234 Q HN 0.376 nan 8.270 nan 0.000 0.452 235 N N -0.436 118.215 118.700 -0.082 0.000 2.234 235 N HA 0.230 4.970 4.740 0.001 0.000 0.227 235 N C 0.498 175.916 175.510 -0.154 0.000 1.151 235 N CA 0.621 53.595 53.050 -0.127 0.000 0.865 235 N CB 0.825 39.197 38.487 -0.191 0.000 1.066 235 N HN 0.276 nan 8.380 nan 0.000 0.515 236 A N 1.398 124.191 122.820 -0.044 0.000 1.917 236 A HA -0.152 4.169 4.320 0.001 0.000 0.219 236 A C 2.164 179.780 177.584 0.053 0.000 1.182 236 A CA 1.092 53.180 52.037 0.085 0.000 0.633 236 A CB -0.520 18.623 19.000 0.238 0.000 0.819 236 A HN 0.232 nan 8.150 nan 0.000 0.448 237 I N -0.791 119.794 120.570 0.026 0.000 2.127 237 I HA -0.282 3.889 4.170 0.001 0.000 0.241 237 I C 2.632 178.756 176.117 0.013 0.000 1.075 237 I CA 1.955 63.270 61.300 0.025 0.000 1.334 237 I CB -0.269 37.740 38.000 0.016 0.000 1.040 237 I HN 0.355 nan 8.210 nan 0.000 0.405 238 K N 1.109 121.497 120.400 -0.020 0.000 2.057 238 K HA -0.146 4.175 4.320 0.001 0.000 0.206 238 K C 2.211 178.794 176.600 -0.030 0.000 1.050 238 K CA 1.347 57.620 56.287 -0.025 0.000 0.935 238 K CB -0.089 32.384 32.500 -0.045 0.000 0.715 238 K HN 0.251 nan 8.250 nan 0.000 0.439 239 L N 0.661 121.825 121.223 -0.099 0.000 2.083 239 L HA -0.149 4.191 4.340 0.001 0.000 0.209 239 L C 1.890 178.818 176.870 0.098 0.000 1.083 239 L CA 0.996 55.769 54.840 -0.111 0.000 0.752 239 L CB -0.080 41.643 42.059 -0.560 0.000 0.899 239 L HN 0.172 nan 8.230 nan 0.000 0.433 240 L N -0.442 120.862 121.223 0.135 0.000 2.769 240 L HA 0.299 4.639 4.340 0.001 0.000 0.240 240 L C 1.099 178.031 176.870 0.104 0.000 1.163 240 L CA -0.239 54.707 54.840 0.178 0.000 0.962 240 L CB 0.019 42.205 42.059 0.212 0.000 1.258 240 L HN 0.231 nan 8.230 nan 0.000 0.513 241 A N 0.270 123.135 122.820 0.076 0.000 2.596 241 A HA -0.252 4.069 4.320 0.001 0.000 0.300 241 A C 1.349 178.973 177.584 0.067 0.000 1.495 241 A CA 0.887 52.964 52.037 0.066 0.000 0.769 241 A CB -1.980 17.067 19.000 0.078 0.000 1.047 241 A HN 0.522 nan 8.150 nan 0.000 0.436 242 I N -0.980 119.626 120.570 0.060 0.000 2.286 242 I HA -0.186 3.985 4.170 0.001 0.000 0.248 242 I C 1.720 177.865 176.117 0.047 0.000 1.115 242 I CA 1.703 63.036 61.300 0.055 0.000 1.392 242 I CB -0.167 37.859 38.000 0.045 0.000 1.065 242 I HN 0.374 nan 8.210 nan 0.000 0.418 243 D N 0.536 120.960 120.400 0.039 0.000 2.349 243 D HA -0.015 4.626 4.640 0.001 0.000 0.215 243 D C 1.201 177.522 176.300 0.035 0.000 1.016 243 D CA 0.728 54.748 54.000 0.033 0.000 0.870 243 D CB 0.136 40.950 40.800 0.024 0.000 0.917 243 D HN 0.278 nan 8.370 nan 0.000 0.524 244 K N -0.299 120.126 120.400 0.042 0.000 2.514 244 K HA 0.079 4.399 4.320 0.001 0.000 0.207 244 K C 1.364 177.994 176.600 0.050 0.000 1.035 244 K CA 0.068 56.380 56.287 0.042 0.000 1.113 244 K CB 0.738 33.264 32.500 0.042 0.000 0.846 244 K HN 0.036 nan 8.250 nan 0.000 0.491 245 T N -1.736 112.852 114.554 0.056 0.000 2.881 245 T HA -0.129 4.222 4.350 0.001 0.000 0.270 245 T C 2.067 176.798 174.700 0.052 0.000 1.068 245 T CA 1.120 63.259 62.100 0.064 0.000 1.131 245 T CB -0.103 68.808 68.868 0.072 0.000 0.871 245 T HN 0.158 nan 8.240 nan 0.000 0.479 246 A N 2.414 125.258 122.820 0.041 0.000 1.969 246 A HA -0.054 4.266 4.320 0.001 0.000 0.218 246 A C 2.406 180.008 177.584 0.030 0.000 1.169 246 A CA 1.371 53.427 52.037 0.033 0.000 0.635 246 A CB -0.334 18.682 19.000 0.027 0.000 0.810 246 A HN 0.804 nan 8.150 nan 0.000 0.445 247 E N -0.478 119.741 120.200 0.032 0.000 2.340 247 E HA 0.091 4.441 4.350 0.001 0.000 0.198 247 E C 0.438 177.057 176.600 0.031 0.000 0.961 247 E CA 0.813 57.229 56.400 0.027 0.000 0.905 247 E CB 0.005 29.719 29.700 0.024 0.000 0.884 247 E HN 0.526 nan 8.360 nan 0.000 0.491 248 S N 1.123 116.849 115.700 0.042 0.000 2.550 248 S HA 0.256 4.727 4.470 0.001 0.000 0.270 248 S C -0.931 173.712 174.600 0.071 0.000 1.145 248 S CA -0.508 57.722 58.200 0.050 0.000 0.852 248 S CB 1.586 64.815 63.200 0.048 0.000 1.119 248 S HN 0.062 nan 8.310 nan 0.000 0.465 249 D N 0.238 120.688 120.400 0.082 0.000 2.561 249 D HA 0.096 4.737 4.640 0.001 0.000 0.232 249 D C 1.149 177.540 176.300 0.153 0.000 1.198 249 D CA -0.309 53.760 54.000 0.114 0.000 0.826 249 D CB 0.094 40.956 40.800 0.104 0.000 0.992 249 D HN 0.641 nan 8.370 nan 0.000 0.490 250 Q N 0.698 120.586 119.800 0.148 0.000 2.077 250 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 250 Q C 1.850 177.976 176.000 0.210 0.000 0.989 250 Q CA 2.141 58.068 55.803 0.207 0.000 0.853 250 Q CB -0.335 28.501 28.738 0.164 0.000 0.907 250 Q HN 0.455 nan 8.270 nan 0.000 0.418 251 G N 0.911 109.804 108.800 0.155 0.000 2.414 251 G HA2 -0.263 3.698 3.960 0.001 0.000 0.215 251 G HA3 -0.263 3.698 3.960 0.001 0.000 0.215 251 G C 1.330 176.354 174.900 0.207 0.000 1.188 251 G CA 0.758 45.940 45.100 0.136 0.000 0.783 251 G HN 0.363 nan 8.290 nan 0.000 0.537 252 L N 0.876 122.268 121.223 0.281 0.000 2.083 252 L HA -0.013 4.327 4.340 0.001 0.000 0.209 252 L C 2.427 179.578 176.870 0.468 0.000 1.083 252 L CA 2.094 57.203 54.840 0.449 0.000 0.752 252 L CB -0.523 41.774 42.059 0.397 0.000 0.899 252 L HN 0.300 nan 8.230 nan 0.000 0.433 253 N N -1.103 117.787 118.700 0.318 0.000 2.084 253 N HA -0.259 4.482 4.740 0.001 0.000 0.190 253 N C 1.940 177.582 175.510 0.221 0.000 1.030 253 N CA 1.576 54.807 53.050 0.301 0.000 0.849 253 N CB -0.101 38.572 38.487 0.311 0.000 1.012 253 N HN 0.455 nan 8.380 nan 0.000 0.423 254 Q N -0.768 119.029 119.800 -0.005 0.000 2.079 254 Q HA -0.172 4.168 4.340 0.001 0.000 0.200 254 Q C 1.914 177.731 176.000 -0.306 0.000 0.974 254 Q CA 1.363 56.802 55.803 -0.605 0.000 0.840 254 Q CB -0.329 27.701 28.738 -1.181 0.000 0.898 254 Q HN 0.628 nan 8.270 nan 0.000 0.430 255 W N 0.041 121.217 121.300 -0.207 0.000 2.354 255 W HA -0.248 4.413 4.660 0.000 0.000 0.315 255 W C 1.044 177.471 176.519 -0.153 0.000 1.206 255 W CA 1.080 58.362 57.345 -0.105 0.000 1.290 255 W CB -0.336 29.043 29.460 -0.136 0.000 1.152 255 W HN 0.192 nan 8.180 nan 0.000 0.489 256 F N 1.341 121.208 119.950 -0.139 0.000 2.325 256 F HA -0.106 4.420 4.527 -0.002 0.000 0.299 256 F C 2.359 178.050 175.800 -0.182 0.000 1.090 256 F CA 1.293 59.133 58.000 -0.267 0.000 1.392 256 F CB -1.008 37.949 39.000 -0.071 0.000 1.053 256 F HN -0.077 nan 8.300 nan 0.000 0.521 257 N N -0.762 117.966 118.700 0.047 0.000 2.331 257 N HA -0.140 4.600 4.740 0.001 0.000 0.180 257 N C 2.132 177.622 175.510 -0.033 0.000 1.019 257 N CA 1.037 54.105 53.050 0.030 0.000 0.881 257 N CB -0.157 38.379 38.487 0.082 0.000 0.972 257 N HN 0.181 nan 8.380 nan 0.000 0.435 258 S N 0.973 116.623 115.700 -0.083 0.000 2.368 258 S HA 0.058 4.528 4.470 0.001 0.000 0.224 258 S C 2.064 176.559 174.600 -0.173 0.000 1.029 258 S CA 0.552 58.727 58.200 -0.041 0.000 0.988 258 S CB -0.061 63.233 63.200 0.157 0.000 0.838 258 S HN 0.202 nan 8.310 nan 0.000 0.462 259 L N 0.839 121.846 121.223 -0.361 0.000 2.093 259 L HA -0.048 4.293 4.340 0.001 0.000 0.208 259 L C 2.462 179.227 176.870 -0.174 0.000 1.085 259 L CA 0.839 55.456 54.840 -0.371 0.000 0.755 259 L CB -0.535 41.194 42.059 -0.550 0.000 0.904 259 L HN 0.361 nan 8.230 nan 0.000 0.435 260 L N -0.662 120.501 121.223 -0.100 0.000 2.046 260 L HA -0.152 4.189 4.340 0.001 0.000 0.208 260 L C 2.520 179.371 176.870 -0.032 0.000 1.077 260 L CA 1.756 56.572 54.840 -0.040 0.000 0.747 260 L CB -0.500 41.558 42.059 -0.002 0.000 0.896 260 L HN 0.045 nan 8.230 nan 0.000 0.432 261 S N -0.429 115.254 115.700 -0.027 0.000 2.399 261 S HA -0.141 4.330 4.470 0.001 0.000 0.231 261 S C 1.804 176.394 174.600 -0.017 0.000 1.022 261 S CA 1.356 59.554 58.200 -0.004 0.000 0.983 261 S CB -0.538 62.673 63.200 0.018 0.000 0.803 261 S HN 0.480 nan 8.310 nan 0.000 0.480 262 L N 1.432 122.621 121.223 -0.058 0.000 2.012 262 L HA -0.023 4.318 4.340 0.001 0.000 0.210 262 L C 2.303 179.146 176.870 -0.045 0.000 1.073 262 L CA 1.663 56.460 54.840 -0.072 0.000 0.748 262 L CB -0.669 41.312 42.059 -0.130 0.000 0.891 262 L HN 0.220 nan 8.230 nan 0.000 0.431 263 V N -0.969 118.918 119.914 -0.045 0.000 2.591 263 V HA -0.118 4.003 4.120 0.001 0.000 0.249 263 V C 2.449 178.540 176.094 -0.005 0.000 1.053 263 V CA 1.348 63.630 62.300 -0.029 0.000 1.068 263 V CB -0.325 31.474 31.823 -0.040 0.000 0.689 263 V HN 0.524 nan 8.190 nan 0.000 0.462 264 E N 0.977 121.177 120.200 0.001 0.000 2.028 264 E HA -0.081 4.270 4.350 0.001 0.000 0.191 264 E C 1.451 178.082 176.600 0.051 0.000 0.988 264 E CA 1.420 57.834 56.400 0.023 0.000 0.799 264 E CB -0.675 29.039 29.700 0.023 0.000 0.755 264 E HN 0.825 nan 8.360 nan 0.000 0.447 268 S N 1.462 117.275 115.700 0.188 0.000 2.327 268 S HA 0.047 4.518 4.470 0.001 0.000 0.213 268 S C 1.421 176.072 174.600 0.085 0.000 1.032 268 S CA 1.245 59.526 58.200 0.136 0.000 0.960 268 S CB -0.309 62.952 63.200 0.102 0.000 0.900 268 S HN 0.295 nan 8.310 nan 0.000 0.469 269 N N 1.836 120.591 118.700 0.091 0.000 2.300 269 N HA 0.127 4.868 4.740 0.001 0.000 0.179 269 N C 1.475 177.074 175.510 0.147 0.000 1.016 269 N CA 1.126 54.221 53.050 0.074 0.000 0.876 269 N CB -0.378 38.150 38.487 0.067 0.000 0.979 269 N HN 0.401 nan 8.380 nan 0.000 0.432 270 A N -0.091 122.854 122.820 0.208 0.000 2.044 270 A HA 0.196 4.516 4.320 0.001 0.000 0.213 270 A C 1.762 179.435 177.584 0.148 0.000 1.169 270 A CA 0.427 52.607 52.037 0.239 0.000 0.724 270 A CB 0.269 19.384 19.000 0.192 0.000 0.840 270 A HN 0.030 nan 8.150 nan 0.000 0.463 271 I N -1.263 119.383 120.570 0.126 0.000 3.523 271 I HA 0.056 4.227 4.170 0.001 0.000 0.244 271 I C 2.197 178.337 176.117 0.038 0.000 1.110 271 I CA 0.971 62.336 61.300 0.109 0.000 1.517 271 I CB -1.338 36.767 38.000 0.175 0.000 1.505 271 I HN 0.465 nan 8.210 nan 0.000 0.460 272 E N 1.231 121.426 120.200 -0.008 0.000 2.023 272 E HA -0.278 4.072 4.350 0.001 0.000 0.196 272 E C 2.128 178.652 176.600 -0.126 0.000 1.003 272 E CA 1.929 58.203 56.400 -0.209 0.000 0.809 272 E CB 0.064 29.548 29.700 -0.360 0.000 0.755 272 E HN 0.423 nan 8.360 nan 0.000 0.449 273 Q N -0.455 119.305 119.800 -0.067 0.000 2.016 273 Q HA -0.097 4.244 4.340 0.001 0.000 0.200 273 Q C -0.788 175.173 176.000 -0.064 0.000 0.978 273 Q CA 2.019 57.783 55.803 -0.065 0.000 0.833 273 Q CB -0.528 28.177 28.738 -0.054 0.000 0.895 273 Q HN 0.374 nan 8.270 nan 0.000 0.427 274 P HA -0.102 nan 4.420 nan 0.000 0.221 274 P C 0.570 177.852 177.300 -0.031 0.000 1.150 274 P CA 1.123 64.197 63.100 -0.043 0.000 0.800 274 P CB 0.107 31.820 31.700 0.021 0.000 0.787 275 L N -2.251 118.958 121.223 -0.024 0.000 2.592 275 L HA 0.318 4.659 4.340 0.001 0.000 0.227 275 L C 1.009 177.854 176.870 -0.043 0.000 1.127 275 L CA 0.218 55.045 54.840 -0.022 0.000 0.884 275 L CB -1.024 41.031 42.059 -0.008 0.000 1.065 275 L HN 0.026 nan 8.230 nan 0.000 0.457 276 G N 1.228 109.991 108.800 -0.062 0.000 2.372 276 G HA2 -0.266 3.694 3.960 0.001 0.000 0.297 276 G HA3 -0.266 3.694 3.960 0.001 0.000 0.297 276 G C 0.615 175.468 174.900 -0.079 0.000 1.005 276 G CA 0.270 45.329 45.100 -0.069 0.000 1.173 276 G HN 0.360 nan 8.290 nan 0.000 0.511 277 L N 0.141 121.292 121.223 -0.121 0.000 2.307 277 L HA 0.059 4.400 4.340 0.001 0.000 0.211 277 L C 2.732 179.517 176.870 -0.142 0.000 1.099 277 L CA 1.519 56.274 54.840 -0.142 0.000 0.816 277 L CB -0.222 41.698 42.059 -0.232 0.000 0.952 277 L HN 0.576 nan 8.230 nan 0.000 0.455 278 S N -1.453 114.156 115.700 -0.151 0.000 2.497 278 S HA 0.371 4.842 4.470 0.001 0.000 0.221 278 S C 0.880 175.439 174.600 -0.070 0.000 1.037 278 S CA 0.233 58.366 58.200 -0.112 0.000 0.920 278 S CB 0.718 63.844 63.200 -0.123 0.000 0.800 278 S HN 0.353 nan 8.310 nan 0.000 0.505 279 G N 0.775 109.535 108.800 -0.068 0.000 2.635 279 G HA2 0.375 4.336 3.960 0.001 0.000 0.194 279 G HA3 0.375 4.336 3.960 0.001 0.000 0.194 279 G C -1.704 173.167 174.900 -0.048 0.000 1.198 279 G CA -0.802 44.269 45.100 -0.049 0.000 0.972 279 G HN 0.203 nan 8.290 nan 0.000 0.520 280 K N 1.066 121.441 120.400 -0.042 0.000 2.350 280 K HA 0.517 4.837 4.320 0.001 0.000 0.279 280 K C 0.497 177.066 176.600 -0.053 0.000 1.027 280 K CA 0.098 56.360 56.287 -0.042 0.000 0.969 280 K CB 0.881 33.360 32.500 -0.035 0.000 0.954 280 K HN 0.674 nan 8.250 nan 0.000 0.474 281 A N 4.464 127.251 122.820 -0.056 0.000 2.546 281 A HA 0.043 4.364 4.320 0.001 0.000 0.243 281 A C -0.129 177.401 177.584 -0.090 0.000 1.063 281 A CA 0.420 52.414 52.037 -0.071 0.000 0.757 281 A CB 0.101 19.063 19.000 -0.064 0.000 0.991 281 A HN 0.752 nan 8.150 nan 0.000 0.503 282 K N 2.394 122.727 120.400 -0.111 0.000 2.507 282 K HA 0.547 4.867 4.320 0.001 0.000 0.251 282 K C 0.208 176.692 176.600 -0.193 0.000 0.943 282 K CA 0.295 56.501 56.287 -0.135 0.000 0.794 282 K CB 1.285 33.730 32.500 -0.093 0.000 1.188 282 K HN 2.098 nan 8.250 nan 0.000 0.428 283 G N 2.595 111.209 108.800 -0.311 0.000 2.693 283 G HA2 -0.173 3.787 3.960 0.001 0.000 0.226 283 G HA3 -0.173 3.787 3.960 0.001 0.000 0.226 283 G C -1.232 173.283 174.900 -0.643 0.000 1.354 283 G CA -0.631 44.217 45.100 -0.421 0.000 0.873 283 G HN 0.743 nan 8.290 nan 0.000 0.562 284 H N -1.310 117.776 119.070 0.026 0.000 2.865 284 H HA 0.579 5.136 4.556 0.001 0.000 0.372 284 H C 0.284 175.738 175.328 0.209 0.000 1.173 284 H CA -0.734 55.373 56.048 0.098 0.000 1.147 284 H CB 1.477 31.302 29.762 0.106 0.000 1.805 284 H HN 0.531 nan 8.280 nan 0.000 0.553 285 L N 3.039 124.434 121.223 0.286 0.000 2.467 285 L HA 0.111 4.451 4.340 0.001 0.000 0.270 285 L C -1.768 175.258 176.870 0.260 0.000 1.205 285 L CA -1.482 53.502 54.840 0.240 0.000 0.828 285 L CB 0.217 42.357 42.059 0.136 0.000 1.101 285 L HN 0.353 nan 8.230 nan 0.000 0.479 286 P HA 0.013 nan 4.420 nan 0.000 0.269 286 P C -0.185 177.142 177.300 0.044 0.000 1.209 286 P CA 0.096 63.129 63.100 -0.111 0.000 0.776 286 P CB 0.856 32.363 31.700 -0.321 0.000 0.876 287 A N 1.727 124.619 122.820 0.121 0.000 2.745 287 A HA -0.158 4.162 4.320 0.001 0.000 0.296 287 A C 1.643 179.259 177.584 0.053 0.000 1.500 287 A CA 0.884 53.037 52.037 0.194 0.000 0.766 287 A CB -2.182 16.986 19.000 0.280 0.000 1.030 287 A HN 0.689 nan 8.150 nan 0.000 0.489 288 A N -0.910 121.938 122.820 0.047 0.000 1.902 288 A HA 0.035 4.356 4.320 0.001 0.000 0.217 288 A C 2.214 179.745 177.584 -0.088 0.000 1.181 288 A CA 2.554 54.598 52.037 0.013 0.000 0.623 288 A CB -0.797 18.241 19.000 0.065 0.000 0.818 288 A HN 1.099 nan 8.150 nan 0.000 0.443 289 T N 0.149 114.604 114.554 -0.165 0.000 2.812 289 T HA 0.067 4.418 4.350 0.001 0.000 0.264 289 T C 2.169 176.566 174.700 -0.504 0.000 1.042 289 T CA 1.372 63.317 62.100 -0.259 0.000 1.140 289 T CB -0.353 68.375 68.868 -0.234 0.000 0.870 289 T HN 0.560 nan 8.240 nan 0.000 0.445 290 A N 0.647 123.033 122.820 -0.724 0.000 2.014 290 A HA 0.414 4.734 4.320 0.001 0.000 0.218 290 A C 1.962 179.319 177.584 -0.378 0.000 1.163 290 A CA 1.118 52.521 52.037 -1.057 0.000 0.652 290 A CB -0.997 17.580 19.000 -0.705 0.000 0.808 290 A HN 0.848 nan 8.150 nan 0.000 0.449 291 G N -1.199 107.490 108.800 -0.185 0.000 2.225 291 G HA2 -0.200 3.761 3.960 0.001 0.000 0.264 291 G HA3 -0.200 3.761 3.960 0.001 0.000 0.264 291 G C 0.039 174.938 174.900 -0.001 0.000 1.060 291 G CA 0.418 45.482 45.100 -0.059 0.000 0.833 291 G HN 0.449 nan 8.290 nan 0.000 0.498 292 Q N 0.011 119.830 119.800 0.030 0.000 2.233 292 Q HA 0.253 4.593 4.340 0.001 0.000 0.340 292 Q C 1.839 177.873 176.000 0.057 0.000 0.899 292 Q CA 0.555 56.400 55.803 0.070 0.000 1.139 292 Q CB 0.518 29.341 28.738 0.142 0.000 1.273 292 Q HN 0.716 nan 8.270 nan 0.000 0.431 293 S N -0.388 115.337 115.700 0.040 0.000 2.382 293 S HA -0.163 4.307 4.470 0.001 0.000 0.228 293 S C 1.873 176.482 174.600 0.015 0.000 1.027 293 S CA 0.710 58.928 58.200 0.030 0.000 0.991 293 S CB -0.048 63.176 63.200 0.039 0.000 0.823 293 S HN 0.370 nan 8.310 nan 0.000 0.469 294 R N 1.694 122.203 120.500 0.016 0.000 2.091 294 R HA -0.071 4.270 4.340 0.001 0.000 0.238 294 R C 2.458 178.756 176.300 -0.004 0.000 1.136 294 R CA 1.400 57.503 56.100 0.006 0.000 0.959 294 R CB -0.755 29.550 30.300 0.008 0.000 0.856 294 R HN 0.516 nan 8.270 nan 0.000 0.437 295 A N 1.038 123.859 122.820 0.001 0.000 1.933 295 A HA -0.121 4.199 4.320 0.001 0.000 0.218 295 A C 2.004 179.567 177.584 -0.035 0.000 1.175 295 A CA 1.114 53.144 52.037 -0.012 0.000 0.628 295 A CB -0.301 18.700 19.000 0.002 0.000 0.814 295 A HN 0.258 nan 8.150 nan 0.000 0.444 296 I N 0.228 120.776 120.570 -0.037 0.000 2.233 296 I HA -0.154 4.017 4.170 0.001 0.000 0.243 296 I C 2.303 178.382 176.117 -0.063 0.000 1.093 296 I CA 0.922 62.183 61.300 -0.065 0.000 1.380 296 I CB -1.186 36.772 38.000 -0.072 0.000 1.067 296 I HN 0.199 nan 8.210 nan 0.000 0.413 297 I N 1.122 121.668 120.570 -0.041 0.000 2.226 297 I HA -0.268 3.903 4.170 0.001 0.000 0.245 297 I C 2.322 178.415 176.117 -0.041 0.000 1.100 297 I CA 1.368 62.648 61.300 -0.034 0.000 1.374 297 I CB -1.713 36.279 38.000 -0.012 0.000 1.057 297 I HN 0.303 nan 8.210 nan 0.000 0.413 298 N N 1.316 119.993 118.700 -0.038 0.000 2.084 298 N HA -0.131 4.610 4.740 0.001 0.000 0.190 298 N C 1.880 177.359 175.510 -0.051 0.000 1.030 298 N CA 1.804 54.831 53.050 -0.039 0.000 0.849 298 N CB -0.073 38.395 38.487 -0.031 0.000 1.012 298 N HN 0.306 nan 8.380 nan 0.000 0.423 299 A N 0.525 123.308 122.820 -0.063 0.000 1.902 299 A HA -0.149 4.171 4.320 0.001 0.000 0.217 299 A C 2.087 179.613 177.584 -0.096 0.000 1.181 299 A CA 1.449 53.438 52.037 -0.081 0.000 0.623 299 A CB -0.444 18.499 19.000 -0.095 0.000 0.818 299 A HN 0.356 nan 8.150 nan 0.000 0.443 300 K N -0.529 119.812 120.400 -0.098 0.000 2.057 300 K HA 0.018 4.339 4.320 0.001 0.000 0.206 300 K C 1.916 178.464 176.600 -0.087 0.000 1.050 300 K CA 1.195 57.417 56.287 -0.108 0.000 0.935 300 K CB -0.354 32.085 32.500 -0.101 0.000 0.715 300 K HN 0.441 nan 8.250 nan 0.000 0.439 301 L N 0.619 121.804 121.223 -0.064 0.000 2.046 301 L HA -0.188 4.153 4.340 0.001 0.000 0.208 301 L C 2.578 179.420 176.870 -0.046 0.000 1.077 301 L CA 1.141 55.952 54.840 -0.049 0.000 0.747 301 L CB -0.513 41.524 42.059 -0.036 0.000 0.896 301 L HN 0.216 nan 8.230 nan 0.000 0.432 302 A N -0.827 121.964 122.820 -0.049 0.000 1.972 302 A HA -0.187 4.134 4.320 0.001 0.000 0.219 302 A C 2.309 179.863 177.584 -0.049 0.000 1.169 302 A CA 2.241 54.252 52.037 -0.043 0.000 0.635 302 A CB -0.754 18.220 19.000 -0.045 0.000 0.810 302 A HN 0.399 nan 8.150 nan 0.000 0.446 303 T N -0.189 114.322 114.554 -0.072 0.000 2.812 303 T HA -0.070 4.281 4.350 0.001 0.000 0.264 303 T C 1.823 176.482 174.700 -0.069 0.000 1.042 303 T CA 1.360 63.409 62.100 -0.086 0.000 1.140 303 T CB -0.298 68.491 68.868 -0.132 0.000 0.870 303 T HN 0.286 nan 8.240 nan 0.000 0.445 304 L N 1.941 123.119 121.223 -0.075 0.000 2.046 304 L HA -0.015 4.325 4.340 0.001 0.000 0.208 304 L C 2.134 178.992 176.870 -0.020 0.000 1.077 304 L CA 1.634 56.435 54.840 -0.066 0.000 0.747 304 L CB -0.703 41.314 42.059 -0.070 0.000 0.896 304 L HN 0.168 nan 8.230 nan 0.000 0.432 305 N N -0.549 118.142 118.700 -0.014 0.000 2.166 305 N HA -0.243 4.498 4.740 0.001 0.000 0.186 305 N C 1.953 177.479 175.510 0.026 0.000 1.019 305 N CA 1.387 54.441 53.050 0.007 0.000 0.856 305 N CB -0.141 38.345 38.487 -0.001 0.000 0.993 305 N HN 0.245 nan 8.380 nan 0.000 0.426 306 K N -0.108 120.303 120.400 0.017 0.000 2.097 306 K HA -0.007 4.314 4.320 0.001 0.000 0.206 306 K C 0.616 177.267 176.600 0.085 0.000 1.049 306 K CA 0.802 57.110 56.287 0.035 0.000 0.933 306 K CB -0.231 32.273 32.500 0.006 0.000 0.717 306 K HN 0.276 nan 8.250 nan 0.000 0.442 310 D N 3.382 123.865 120.400 0.139 0.000 2.434 310 D HA 0.239 4.880 4.640 0.001 0.000 0.252 310 D C -1.111 175.262 176.300 0.123 0.000 1.185 310 D CA -1.526 52.575 54.000 0.169 0.000 0.886 310 D CB 1.493 42.472 40.800 0.299 0.000 1.148 310 D HN 0.072 nan 8.370 nan 0.000 0.483 311 P HA -0.166 nan 4.420 nan 0.000 0.218 311 P C 1.457 178.768 177.300 0.018 0.000 1.148 311 P CA 0.567 63.687 63.100 0.033 0.000 0.822 311 P CB 0.219 31.926 31.700 0.012 0.000 0.784 312 V N -0.640 119.275 119.914 0.003 0.000 2.343 312 V HA -0.203 3.918 4.120 0.001 0.000 0.247 312 V C 2.343 178.467 176.094 0.049 0.000 1.051 312 V CA 1.563 63.858 62.300 -0.009 0.000 1.036 312 V CB -1.154 30.568 31.823 -0.168 0.000 0.654 312 V HN 0.073 nan 8.190 nan 0.000 0.451 313 L N 0.900 122.193 121.223 0.116 0.000 2.095 313 L HA -0.077 4.263 4.340 0.001 0.000 0.204 313 L C 2.717 179.581 176.870 -0.010 0.000 1.080 313 L CA 2.566 57.408 54.840 0.004 0.000 0.759 313 L CB -0.943 41.228 42.059 0.187 0.000 0.914 313 L HN 0.564 nan 8.230 nan 0.000 0.439 314 T N -2.950 111.620 114.554 0.028 0.000 2.881 314 T HA -0.096 4.255 4.350 0.001 0.000 0.270 314 T C 1.854 176.547 174.700 -0.012 0.000 1.068 314 T CA 0.985 63.090 62.100 0.009 0.000 1.131 314 T CB -0.760 68.121 68.868 0.021 0.000 0.871 314 T HN 0.339 nan 8.240 nan 0.000 0.479 315 A N 1.236 124.047 122.820 -0.015 0.000 1.929 315 A HA 0.234 4.554 4.320 0.001 0.000 0.216 315 A C 2.326 179.889 177.584 -0.035 0.000 1.176 315 A CA 0.929 52.953 52.037 -0.021 0.000 0.628 315 A CB -0.678 18.311 19.000 -0.017 0.000 0.816 315 A HN 0.572 nan 8.150 nan 0.000 0.444 316 I N -0.403 120.132 120.570 -0.057 0.000 2.252 316 I HA -0.224 3.947 4.170 0.001 0.000 0.245 316 I C 2.213 178.286 176.117 -0.075 0.000 1.102 316 I CA 1.048 62.301 61.300 -0.079 0.000 1.385 316 I CB -0.205 37.709 38.000 -0.144 0.000 1.064 316 I HN 0.267 nan 8.210 nan 0.000 0.414 317 L N 0.032 121.210 121.223 -0.074 0.000 2.179 317 L HA 0.003 4.343 4.340 0.001 0.000 0.208 317 L C 1.939 178.781 176.870 -0.047 0.000 1.096 317 L CA 0.808 55.607 54.840 -0.068 0.000 0.779 317 L CB -0.675 41.344 42.059 -0.066 0.000 0.922 317 L HN 0.250 nan 8.230 nan 0.000 0.443 318 G N -1.265 107.514 108.800 -0.035 0.000 3.530 318 G HA2 0.103 4.064 3.960 0.001 0.000 0.269 318 G HA3 0.103 4.064 3.960 0.001 0.000 0.269 318 G C 0.928 175.814 174.900 -0.023 0.000 1.314 318 G CA -0.105 44.980 45.100 -0.026 0.000 1.441 318 G HN 0.163 nan 8.290 nan 0.000 0.595 319 S N -1.204 114.479 115.700 -0.027 0.000 2.503 319 S HA 0.170 4.640 4.470 0.001 0.000 0.217 319 S C 1.761 176.349 174.600 -0.020 0.000 0.999 319 S CA 0.811 58.997 58.200 -0.023 0.000 0.914 319 S CB 0.164 63.349 63.200 -0.025 0.000 0.782 319 S HN 0.840 nan 8.310 nan 0.000 0.520 320 N N 0.686 119.374 118.700 -0.021 0.000 2.829 320 N HA 0.388 5.128 4.740 0.001 0.000 0.198 320 N C 0.771 176.270 175.510 -0.018 0.000 1.697 320 N CA 0.180 53.218 53.050 -0.018 0.000 1.137 320 N CB -0.737 37.739 38.487 -0.019 0.000 2.368 320 N HN 0.214 nan 8.380 nan 0.000 0.325 321 N N -0.581 118.108 118.700 -0.019 0.000 2.280 321 N HA 0.350 5.090 4.740 0.001 0.000 0.192 321 N C 1.292 176.789 175.510 -0.022 0.000 1.109 321 N CA 1.357 54.396 53.050 -0.018 0.000 0.855 321 N CB -0.317 38.160 38.487 -0.017 0.000 0.974 321 N HN 1.024 nan 8.380 nan 0.000 0.482 322 E N -0.400 119.784 120.200 -0.027 0.000 2.485 322 E HA 0.095 4.445 4.350 0.001 0.000 0.194 322 E C 1.624 178.205 176.600 -0.032 0.000 1.098 322 E CA 0.670 57.050 56.400 -0.033 0.000 0.878 322 E CB -2.034 27.641 29.700 -0.041 0.000 0.939 322 E HN 0.927 nan 8.360 nan 0.000 0.503 323 N N 0.003 118.688 118.700 -0.025 0.000 2.396 323 N HA -0.123 4.618 4.740 0.001 0.000 0.180 323 N C 2.166 177.665 175.510 -0.018 0.000 1.028 323 N CA 1.573 54.611 53.050 -0.020 0.000 0.893 323 N CB -0.574 37.904 38.487 -0.015 0.000 0.967 323 N HN 0.432 nan 8.380 nan 0.000 0.440 324 T N -0.548 113.994 114.554 -0.019 0.000 2.915 324 T HA -0.044 4.307 4.350 0.001 0.000 0.269 324 T C 1.955 176.643 174.700 -0.020 0.000 1.071 324 T CA 1.490 63.579 62.100 -0.017 0.000 1.132 324 T CB -0.490 68.367 68.868 -0.018 0.000 0.878 324 T HN 0.300 nan 8.240 nan 0.000 0.479 325 V N 1.697 121.595 119.914 -0.026 0.000 2.295 325 V HA -0.079 4.042 4.120 0.001 0.000 0.246 325 V C 3.040 179.120 176.094 -0.023 0.000 1.049 325 V CA 1.845 64.126 62.300 -0.032 0.000 1.024 325 V CB -1.340 30.456 31.823 -0.047 0.000 0.648 325 V HN 0.585 nan 8.190 nan 0.000 0.447 326 A N 0.154 122.964 122.820 -0.018 0.000 1.930 326 A HA -0.209 4.112 4.320 0.001 0.000 0.217 326 A C 2.092 179.677 177.584 0.001 0.000 1.175 326 A CA 2.229 54.264 52.037 -0.004 0.000 0.627 326 A CB -1.180 17.820 19.000 0.000 0.000 0.815 326 A HN 0.619 nan 8.150 nan 0.000 0.443 327 D N -0.642 119.756 120.400 -0.004 0.000 2.097 327 D HA -0.122 4.519 4.640 0.001 0.000 0.197 327 D C 2.150 178.448 176.300 -0.002 0.000 0.984 327 D CA 2.468 56.467 54.000 -0.002 0.000 0.826 327 D CB -1.376 39.421 40.800 -0.004 0.000 0.973 327 D HN 0.649 nan 8.370 nan 0.000 0.460 328 T N -1.297 113.253 114.554 -0.008 0.000 2.821 328 T HA -0.009 4.341 4.350 0.001 0.000 0.267 328 T C 2.268 176.964 174.700 -0.007 0.000 1.046 328 T CA 1.051 63.145 62.100 -0.010 0.000 1.139 328 T CB -0.328 68.530 68.868 -0.018 0.000 0.871 328 T HN 0.374 nan 8.240 nan 0.000 0.454 329 L N 0.956 122.176 121.223 -0.005 0.000 2.056 329 L HA -0.050 4.290 4.340 0.001 0.000 0.207 329 L C 3.200 180.075 176.870 0.009 0.000 1.078 329 L CA 1.354 56.194 54.840 0.000 0.000 0.749 329 L CB -0.557 41.505 42.059 0.004 0.000 0.901 329 L HN 0.367 nan 8.230 nan 0.000 0.433 330 S N -1.062 114.645 115.700 0.012 0.000 2.370 330 S HA -0.210 4.260 4.470 0.001 0.000 0.226 330 S C 1.962 176.571 174.600 0.014 0.000 1.033 330 S CA 2.131 60.340 58.200 0.015 0.000 1.011 330 S CB -0.194 63.015 63.200 0.015 0.000 0.852 330 S HN 0.447 nan 8.310 nan 0.000 0.457 331 T N 1.926 116.487 114.554 0.012 0.000 2.737 331 T HA 0.058 4.409 4.350 0.001 0.000 0.265 331 T C 2.094 176.810 174.700 0.027 0.000 1.038 331 T CA 1.296 63.405 62.100 0.016 0.000 1.144 331 T CB -0.717 68.157 68.868 0.010 0.000 0.866 331 T HN 0.525 nan 8.240 nan 0.000 0.434 332 A N 1.083 123.916 122.820 0.023 0.000 1.902 332 A HA 0.006 4.327 4.320 0.001 0.000 0.217 332 A C 2.291 179.910 177.584 0.058 0.000 1.181 332 A CA 1.252 53.312 52.037 0.038 0.000 0.623 332 A CB -0.872 18.133 19.000 0.008 0.000 0.818 332 A HN 0.454 nan 8.150 nan 0.000 0.443 333 L N -0.849 120.392 121.223 0.030 0.000 2.093 333 L HA -0.164 4.177 4.340 0.001 0.000 0.208 333 L C 3.059 179.939 176.870 0.017 0.000 1.085 333 L CA 1.050 55.902 54.840 0.021 0.000 0.755 333 L CB -0.391 41.674 42.059 0.010 0.000 0.904 333 L HN 0.429 nan 8.230 nan 0.000 0.435 334 A N -0.376 122.454 122.820 0.018 0.000 1.930 334 A HA -0.210 4.111 4.320 0.001 0.000 0.217 334 A C 1.906 179.496 177.584 0.010 0.000 1.175 334 A CA 1.847 53.890 52.037 0.011 0.000 0.627 334 A CB -0.441 18.566 19.000 0.012 0.000 0.815 334 A HN 0.358 nan 8.150 nan 0.000 0.443 335 D N -0.415 120.008 120.400 0.039 0.000 2.144 335 D HA -0.080 4.561 4.640 0.001 0.000 0.200 335 D C 1.987 178.250 176.300 -0.062 0.000 0.978 335 D CA 1.819 55.849 54.000 0.050 0.000 0.833 335 D CB -0.696 40.212 40.800 0.180 0.000 0.961 335 D HN 0.414 nan 8.370 nan 0.000 0.470 336 T N 0.275 114.817 114.554 -0.020 0.000 2.777 336 T HA -0.095 4.256 4.350 0.001 0.000 0.266 336 T C 2.042 176.676 174.700 -0.109 0.000 1.040 336 T CA 1.556 63.585 62.100 -0.118 0.000 1.141 336 T CB -0.512 68.361 68.868 0.009 0.000 0.868 336 T HN 0.131 nan 8.240 nan 0.000 0.444 337 T N 2.109 116.629 114.554 -0.056 0.000 2.746 337 T HA -0.006 4.345 4.350 0.001 0.000 0.267 337 T C 2.442 177.110 174.700 -0.053 0.000 1.039 337 T CA 1.153 63.226 62.100 -0.045 0.000 1.142 337 T CB -0.546 68.306 68.868 -0.027 0.000 0.866 337 T HN 0.438 nan 8.240 nan 0.000 0.444 338 A N 1.027 123.814 122.820 -0.055 0.000 1.930 338 A HA 0.033 4.353 4.320 0.001 0.000 0.217 338 A C 2.235 179.774 177.584 -0.075 0.000 1.175 338 A CA 1.133 53.139 52.037 -0.051 0.000 0.627 338 A CB -0.718 18.261 19.000 -0.036 0.000 0.815 338 A HN 0.406 nan 8.150 nan 0.000 0.443 339 L N -1.027 120.115 121.223 -0.135 0.000 2.056 339 L HA -0.036 4.304 4.340 0.001 0.000 0.207 339 L C 2.213 179.021 176.870 -0.103 0.000 1.078 339 L CA 1.637 56.381 54.840 -0.160 0.000 0.749 339 L CB -0.434 41.420 42.059 -0.342 0.000 0.901 339 L HN 0.330 nan 8.230 nan 0.000 0.433 340 L N -0.243 120.925 121.223 -0.092 0.000 2.093 340 L HA -0.063 4.278 4.340 0.001 0.000 0.208 340 L C 2.479 179.328 176.870 -0.036 0.000 1.085 340 L CA 1.860 56.667 54.840 -0.054 0.000 0.755 340 L CB -0.835 41.197 42.059 -0.046 0.000 0.904 340 L HN 0.290 nan 8.230 nan 0.000 0.435 341 A N -0.846 121.952 122.820 -0.036 0.000 2.019 341 A HA -0.138 4.183 4.320 0.001 0.000 0.219 341 A C 1.310 178.884 177.584 -0.018 0.000 1.164 341 A CA 1.206 53.229 52.037 -0.023 0.000 0.644 341 A CB -0.596 18.391 19.000 -0.022 0.000 0.805 341 A HN 0.682 nan 8.150 nan 0.000 0.449 345 E N -0.289 119.922 120.200 0.018 0.000 2.130 345 E HA -0.156 4.194 4.350 0.001 0.000 0.196 345 E C 0.143 176.757 176.600 0.023 0.000 0.998 345 E CA 1.182 57.595 56.400 0.023 0.000 0.806 345 E CB 0.079 29.797 29.700 0.030 0.000 0.738 345 E HN 0.339 nan 8.360 nan 0.000 0.459 346 D N -0.169 120.243 120.400 0.021 0.000 2.412 346 D HA 0.088 4.729 4.640 0.001 0.000 0.224 346 D C 0.816 177.129 176.300 0.021 0.000 1.093 346 D CA -0.145 53.867 54.000 0.021 0.000 0.850 346 D CB 1.027 41.836 40.800 0.016 0.000 1.046 346 D HN -0.019 nan 8.370 nan 0.000 0.507 347 L N 2.844 124.082 121.223 0.025 0.000 2.265 347 L HA -0.114 4.227 4.340 0.001 0.000 0.215 347 L C 2.297 179.183 176.870 0.026 0.000 1.117 347 L CA 0.893 55.748 54.840 0.025 0.000 0.782 347 L CB -0.273 41.804 42.059 0.030 0.000 0.914 347 L HN 0.418 nan 8.230 nan 0.000 0.441 348 A N 0.161 122.999 122.820 0.029 0.000 2.015 348 A HA -0.172 4.148 4.320 0.001 0.000 0.219 348 A C 2.341 179.936 177.584 0.019 0.000 1.163 348 A CA 1.901 53.954 52.037 0.026 0.000 0.646 348 A CB -0.712 18.307 19.000 0.031 0.000 0.806 348 A HN 0.494 nan 8.150 nan 0.000 0.448 349 T N -2.607 111.957 114.554 0.017 0.000 3.148 349 T HA 0.525 4.876 4.350 0.001 0.000 0.253 349 T C 0.744 175.452 174.700 0.013 0.000 1.134 349 T CA 0.490 62.598 62.100 0.014 0.000 1.051 349 T CB -0.489 68.386 68.868 0.013 0.000 0.959 349 T HN 0.546 nan 8.240 nan 0.000 0.525 350 A N 1.311 124.140 122.820 0.014 0.000 2.272 350 A HA 0.500 4.821 4.320 0.001 0.000 0.275 350 A C 0.170 177.761 177.584 0.013 0.000 1.096 350 A CA -0.589 51.456 52.037 0.013 0.000 0.822 350 A CB 0.016 19.025 19.000 0.015 0.000 1.088 350 A HN 0.446 nan 8.150 nan 0.000 0.495 351 D N -0.257 120.151 120.400 0.013 0.000 2.399 351 D HA 0.098 4.739 4.640 0.001 0.000 0.241 351 D C 1.076 177.385 176.300 0.015 0.000 1.133 351 D CA -0.016 53.992 54.000 0.013 0.000 0.890 351 D CB 0.724 41.532 40.800 0.013 0.000 1.201 351 D HN 0.342 nan 8.370 nan 0.000 0.432 352 K N 2.455 122.863 120.400 0.013 0.000 2.103 352 K HA -0.141 4.180 4.320 0.001 0.000 0.207 352 K C 1.670 178.282 176.600 0.021 0.000 1.048 352 K CA 1.226 57.521 56.287 0.013 0.000 0.930 352 K CB -0.462 32.041 32.500 0.007 0.000 0.716 352 K HN 0.552 nan 8.250 nan 0.000 0.444 353 A N 0.624 123.458 122.820 0.023 0.000 1.930 353 A HA -0.119 4.202 4.320 0.001 0.000 0.217 353 A C 2.231 179.841 177.584 0.042 0.000 1.175 353 A CA 2.097 54.153 52.037 0.032 0.000 0.627 353 A CB -0.754 18.262 19.000 0.027 0.000 0.815 353 A HN 0.336 nan 8.150 nan 0.000 0.443 354 T N 0.037 114.611 114.554 0.033 0.000 2.821 354 T HA -0.147 4.204 4.350 0.001 0.000 0.267 354 T C 1.982 176.708 174.700 0.043 0.000 1.046 354 T CA 1.601 63.720 62.100 0.032 0.000 1.139 354 T CB -0.235 68.643 68.868 0.018 0.000 0.871 354 T HN 0.627 nan 8.240 nan 0.000 0.454 355 Q N 0.458 120.285 119.800 0.044 0.000 2.119 355 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 355 Q C 2.498 178.555 176.000 0.095 0.000 0.972 355 Q CA 1.055 56.892 55.803 0.057 0.000 0.847 355 Q CB -0.160 28.601 28.738 0.037 0.000 0.903 355 Q HN 0.331 nan 8.270 nan 0.000 0.433 356 Q N 1.166 121.020 119.800 0.089 0.000 2.079 356 Q HA -0.161 4.179 4.340 0.001 0.000 0.200 356 Q C 1.547 177.650 176.000 0.173 0.000 0.974 356 Q CA 1.499 57.378 55.803 0.127 0.000 0.840 356 Q CB 0.050 28.838 28.738 0.083 0.000 0.898 356 Q HN 0.325 nan 8.270 nan 0.000 0.430 357 E N -0.683 119.600 120.200 0.139 0.000 2.077 357 E HA -0.195 4.156 4.350 0.001 0.000 0.193 357 E C 1.814 178.561 176.600 0.244 0.000 0.989 357 E CA 1.145 57.656 56.400 0.185 0.000 0.800 357 E CB -0.152 29.627 29.700 0.133 0.000 0.746 357 E HN 0.304 nan 8.360 nan 0.000 0.452 358 L N 0.278 121.583 121.223 0.137 0.000 2.017 358 L HA -0.203 4.137 4.340 0.001 0.000 0.208 358 L C 2.213 179.172 176.870 0.148 0.000 1.073 358 L CA 1.760 56.658 54.840 0.096 0.000 0.745 358 L CB -0.779 41.314 42.059 0.057 0.000 0.894 358 L HN 0.174 nan 8.230 nan 0.000 0.432 359 Y N 0.454 120.794 120.300 0.067 0.000 2.145 359 Y HA -0.251 4.300 4.550 0.002 0.000 0.286 359 Y C 2.234 178.170 175.900 0.060 0.000 1.145 359 Y CA 2.092 60.224 58.100 0.053 0.000 1.148 359 Y CB -0.429 38.053 38.460 0.036 0.000 0.981 359 Y HN 0.319 nan 8.280 nan 0.000 0.507 360 D N -0.902 119.508 120.400 0.018 0.000 2.123 360 D HA -0.181 4.460 4.640 0.001 0.000 0.196 360 D C 1.943 178.165 176.300 -0.130 0.000 0.992 360 D CA 1.931 55.885 54.000 -0.078 0.000 0.833 360 D CB -0.479 40.336 40.800 0.026 0.000 0.954 360 D HN 0.510 nan 8.370 nan 0.000 0.455 361 H N -0.131 118.888 119.070 -0.086 0.000 2.353 361 H HA 0.053 4.610 4.556 0.001 0.000 0.300 361 H C 2.178 177.443 175.328 -0.106 0.000 1.090 361 H CA 0.787 56.791 56.048 -0.073 0.000 1.327 361 H CB -0.159 29.580 29.762 -0.038 0.000 1.383 361 H HN 0.075 nan 8.280 nan 0.000 0.508 362 L N -0.665 120.542 121.223 -0.026 0.000 2.093 362 L HA -0.147 4.193 4.340 0.001 0.000 0.208 362 L C 2.221 178.984 176.870 -0.178 0.000 1.085 362 L CA 1.350 56.135 54.840 -0.091 0.000 0.755 362 L CB -0.341 41.667 42.059 -0.085 0.000 0.904 362 L HN 0.298 nan 8.230 nan 0.000 0.435 363 T N -0.838 113.523 114.554 -0.321 0.000 2.821 363 T HA -0.163 4.187 4.350 0.001 0.000 0.267 363 T C 1.682 176.279 174.700 -0.172 0.000 1.046 363 T CA 1.565 63.477 62.100 -0.315 0.000 1.139 363 T CB -0.272 68.312 68.868 -0.473 0.000 0.871 363 T HN 0.274 nan 8.240 nan 0.000 0.454 364 N N 0.903 119.511 118.700 -0.154 0.000 2.244 364 N HA 0.036 4.777 4.740 0.001 0.000 0.183 364 N C 1.640 177.102 175.510 -0.080 0.000 1.016 364 N CA 0.856 53.837 53.050 -0.116 0.000 0.866 364 N CB -0.330 38.071 38.487 -0.143 0.000 0.980 364 N HN 0.380 nan 8.380 nan 0.000 0.430 365 I N -0.103 120.426 120.570 -0.068 0.000 2.252 365 I HA -0.234 3.937 4.170 0.001 0.000 0.245 365 I C 2.128 178.217 176.117 -0.047 0.000 1.102 365 I CA 1.514 62.788 61.300 -0.044 0.000 1.385 365 I CB -0.673 37.309 38.000 -0.029 0.000 1.064 365 I HN 0.339 nan 8.210 nan 0.000 0.414 366 T N -0.938 113.581 114.554 -0.059 0.000 2.788 366 T HA -0.240 4.110 4.350 0.001 0.000 0.268 366 T C 2.016 176.690 174.700 -0.042 0.000 1.044 366 T CA 1.062 63.134 62.100 -0.047 0.000 1.139 366 T CB -0.456 68.381 68.868 -0.052 0.000 0.867 366 T HN 0.289 nan 8.240 nan 0.000 0.454 367 R N 0.827 121.295 120.500 -0.053 0.000 2.080 367 R HA 0.020 4.361 4.340 0.001 0.000 0.236 367 R C 2.562 178.838 176.300 -0.040 0.000 1.137 367 R CA 1.425 57.497 56.100 -0.046 0.000 0.943 367 R CB -0.545 29.722 30.300 -0.055 0.000 0.846 367 R HN 0.443 nan 8.270 nan 0.000 0.431 368 L N 0.400 121.597 121.223 -0.042 0.000 2.083 368 L HA -0.178 4.163 4.340 0.001 0.000 0.209 368 L C 2.415 179.262 176.870 -0.037 0.000 1.083 368 L CA 1.116 55.933 54.840 -0.038 0.000 0.752 368 L CB -0.273 41.765 42.059 -0.035 0.000 0.899 368 L HN 0.283 nan 8.230 nan 0.000 0.433 369 I N -0.360 120.191 120.570 -0.032 0.000 2.202 369 I HA -0.270 3.901 4.170 0.001 0.000 0.242 369 I C 2.467 178.564 176.117 -0.034 0.000 1.091 369 I CA 1.370 62.653 61.300 -0.029 0.000 1.368 369 I CB -0.195 37.798 38.000 -0.012 0.000 1.058 369 I HN 0.143 nan 8.210 nan 0.000 0.410 370 K N 0.553 120.937 120.400 -0.026 0.000 2.057 370 K HA -0.105 4.216 4.320 0.001 0.000 0.206 370 K C 2.144 178.728 176.600 -0.027 0.000 1.050 370 K CA 1.839 58.113 56.287 -0.021 0.000 0.935 370 K CB -0.103 32.389 32.500 -0.014 0.000 0.715 370 K HN 0.362 nan 8.250 nan 0.000 0.439 371 S N -0.651 115.030 115.700 -0.031 0.000 2.502 371 S HA 0.102 4.573 4.470 0.001 0.000 0.215 371 S C 1.618 176.195 174.600 -0.039 0.000 1.009 371 S CA -0.086 58.094 58.200 -0.032 0.000 0.908 371 S CB 0.358 63.541 63.200 -0.028 0.000 0.801 371 S HN 0.080 nan 8.310 nan 0.000 0.505 372 Q N 0.096 119.868 119.800 -0.046 0.000 2.586 372 Q HA 0.392 4.733 4.340 0.001 0.000 0.243 372 Q C 1.889 177.844 176.000 -0.074 0.000 0.846 372 Q CA 0.278 56.049 55.803 -0.053 0.000 0.959 372 Q CB -0.687 28.023 28.738 -0.046 0.000 1.227 372 Q HN 0.449 nan 8.270 nan 0.000 0.611 373 L N 1.223 122.394 121.223 -0.086 0.000 1.988 373 L HA -0.004 4.337 4.340 0.001 0.000 0.207 373 L C 2.182 178.936 176.870 -0.192 0.000 1.071 373 L CA 1.486 56.242 54.840 -0.140 0.000 0.744 373 L CB -0.601 41.379 42.059 -0.132 0.000 0.893 373 L HN 0.111 nan 8.230 nan 0.000 0.433 374 I N 0.430 120.911 120.570 -0.149 0.000 2.179 374 I HA -0.191 3.980 4.170 0.001 0.000 0.242 374 I C -0.455 175.601 176.117 -0.103 0.000 1.088 374 I CA 1.439 62.659 61.300 -0.134 0.000 1.357 374 I CB -1.440 36.526 38.000 -0.057 0.000 1.051 374 I HN 0.321 nan 8.210 nan 0.000 0.409 375 P HA -0.091 nan 4.420 nan 0.000 0.221 375 P C 1.527 178.786 177.300 -0.069 0.000 1.150 375 P CA 1.455 64.520 63.100 -0.058 0.000 0.800 375 P CB -0.190 31.483 31.700 -0.044 0.000 0.787 376 T N 0.727 115.227 114.554 -0.089 0.000 2.821 376 T HA -0.017 4.334 4.350 0.001 0.000 0.267 376 T C 1.765 176.400 174.700 -0.108 0.000 1.046 376 T CA 0.984 63.029 62.100 -0.091 0.000 1.139 376 T CB -0.666 68.144 68.868 -0.097 0.000 0.871 376 T HN 0.092 nan 8.240 nan 0.000 0.454 377 L N 0.513 121.643 121.223 -0.155 0.000 2.610 377 L HA 0.219 4.559 4.340 0.001 0.000 0.232 377 L C 1.870 178.687 176.870 -0.089 0.000 1.149 377 L CA 0.306 55.046 54.840 -0.166 0.000 0.872 377 L CB -0.547 41.322 42.059 -0.316 0.000 0.992 377 L HN 0.467 nan 8.230 nan 0.000 0.447 378 G N 1.200 109.960 108.800 -0.067 0.000 2.179 378 G HA2 -0.302 3.658 3.960 0.001 0.000 0.257 378 G HA3 -0.302 3.658 3.960 0.001 0.000 0.257 378 G C 0.358 175.250 174.900 -0.012 0.000 1.010 378 G CA 0.803 45.884 45.100 -0.033 0.000 0.736 378 G HN 0.504 nan 8.290 nan 0.000 0.513 379 I N -3.657 116.903 120.570 -0.016 0.000 3.660 379 I HA 0.951 5.122 4.170 0.001 0.000 0.285 379 I C 0.452 176.581 176.117 0.020 0.000 1.266 379 I CA -1.851 59.464 61.300 0.025 0.000 0.987 379 I CB 0.958 38.996 38.000 0.064 0.000 1.417 379 I HN -0.031 nan 8.210 nan 0.000 0.590 380 R N 0.294 120.823 120.500 0.048 0.000 2.740 380 R HA 0.607 4.947 4.340 0.001 0.000 0.282 380 R C -1.380 174.952 176.300 0.054 0.000 0.969 380 R CA -0.961 55.161 56.100 0.037 0.000 0.918 380 R CB 2.270 32.587 30.300 0.028 0.000 1.175 380 R HN 0.415 nan 8.270 nan 0.000 0.464 381 V N 2.559 122.494 119.914 0.035 0.000 2.397 381 V HA 0.485 4.606 4.120 0.001 0.000 0.262 381 V C 0.536 176.660 176.094 0.051 0.000 1.047 381 V CA 0.431 62.755 62.300 0.040 0.000 1.003 381 V CB 0.320 32.155 31.823 0.021 0.000 1.037 381 V HN 0.976 nan 8.190 nan 0.000 0.480 382 G N 4.445 113.294 108.800 0.082 0.000 3.069 382 G HA2 -0.049 3.912 3.960 0.001 0.000 0.686 382 G HA3 -0.049 3.912 3.960 0.001 0.000 0.686 382 G C -1.222 173.761 174.900 0.138 0.000 1.161 382 G CA -0.660 44.498 45.100 0.096 0.000 0.804 382 G HN 0.609 nan 8.290 nan 0.000 0.608 383 F N 0.000 119.957 119.950 0.012 0.000 2.286 383 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 383 F CA 0.000 58.003 58.000 0.005 0.000 1.383 383 F CB 0.000 38.994 39.000 -0.011 0.000 1.145 383 F HN 0.000 nan 8.300 nan 0.000 0.574