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 2wqv_1_A DATA FIRST_RESID 37 DATA SEQUENCE TITVPTPIKQ IFSDDAFAET IKDNLKKKSV TDAVTQNELN SIDQIIANNS DATA SEQUENCE DIKSVQGIQY LPNVTKLFLN GNKLTDIKPL ANLKNLGWLF LDENKVKDLS DATA SEQUENCE SLKDLKKLKS LSLEHNGISD INGLVHLPQL ESLYLGNNKI TDITVLSRLT DATA SEQUENCE KLDTLSLEDN QISDIVPLAG LTKLQNLYLS KNHISDLRAL AGLKNLDVLE DATA SEQUENCE LFSQECLNKP INHQSNLVVP NTVKNTDGSL VTPEIISDDG DYEKPNVKWH DATA SEQUENCE LXXXXNEVSF IFYQPVTIGK AKARFHGRVT QPLK 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 37 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 37 T C 0.000 174.755 174.700 0.091 0.000 1.109 37 T CA 0.000 62.182 62.100 0.137 0.000 1.349 37 T CB 0.000 68.907 68.868 0.066 0.000 0.612 38 I N 3.697 124.318 120.570 0.085 0.000 2.472 38 I HA 0.072 4.241 4.170 -0.002 0.000 0.305 38 I C 1.997 178.119 176.117 0.009 0.000 1.196 38 I CA 0.138 61.437 61.300 -0.003 0.000 1.613 38 I CB 0.046 38.018 38.000 -0.047 0.000 1.501 38 I HN 0.826 9.036 8.210 -0.000 0.000 0.754 39 T N 1.420 115.978 114.554 0.006 0.000 3.100 39 T HA 0.131 4.480 4.350 -0.002 0.000 0.253 39 T C 0.471 175.171 174.700 -0.001 0.000 1.118 39 T CA -0.023 62.082 62.100 0.007 0.000 1.058 39 T CB -0.072 68.802 68.868 0.009 0.000 0.953 39 T HN 0.336 8.576 8.240 -0.000 0.000 0.515 40 V N -2.189 117.720 119.914 -0.009 0.000 3.007 40 V HA 0.722 4.841 4.120 -0.002 0.000 0.311 40 V C -3.143 172.941 176.094 -0.018 0.000 1.120 40 V CA -3.093 59.200 62.300 -0.011 0.000 0.980 40 V CB 1.909 33.724 31.823 -0.012 0.000 1.033 40 V HN -0.121 8.069 8.190 -0.000 0.000 0.429 41 P HA 0.203 4.623 4.420 -0.000 0.000 0.260 41 P C -0.227 177.058 177.300 -0.025 0.000 1.185 41 P CA 0.681 63.771 63.100 -0.016 0.000 0.763 41 P CB 0.238 31.933 31.700 -0.009 0.000 0.776 42 T N 5.518 120.049 114.554 -0.037 0.000 2.841 42 T HA 0.410 4.759 4.350 -0.002 0.000 0.283 42 T C -2.546 172.131 174.700 -0.038 0.000 1.000 42 T CA -1.879 60.190 62.100 -0.051 0.000 0.977 42 T CB 1.171 69.982 68.868 -0.096 0.000 0.979 42 T HN 0.161 8.401 8.240 -0.000 0.000 0.446 43 P HA 0.146 4.566 4.420 -0.000 0.000 0.262 43 P C 0.835 178.141 177.300 0.009 0.000 1.182 43 P CA 0.056 63.151 63.100 -0.007 0.000 0.761 43 P CB 0.327 32.022 31.700 -0.007 0.000 0.795 44 I N 2.872 123.471 120.570 0.049 0.000 2.145 44 I HA -0.341 3.828 4.170 -0.002 0.000 0.244 44 I C 2.361 178.585 176.117 0.177 0.000 1.075 44 I CA 1.765 63.153 61.300 0.148 0.000 1.332 44 I CB -0.451 37.600 38.000 0.086 0.000 1.033 44 I HN 0.479 8.689 8.210 -0.000 0.000 0.410 45 K N 0.716 121.168 120.400 0.087 0.000 2.173 45 K HA -0.274 4.045 4.320 -0.002 0.000 0.207 45 K C 2.054 178.687 176.600 0.055 0.000 1.046 45 K CA 1.748 58.081 56.287 0.076 0.000 0.929 45 K CB -0.042 32.481 32.500 0.038 0.000 0.720 45 K HN 0.457 8.707 8.250 -0.000 0.000 0.453 46 Q N -0.350 119.454 119.800 0.007 0.000 2.331 46 Q HA 0.016 4.355 4.340 -0.002 0.000 0.203 46 Q C 1.929 177.859 176.000 -0.117 0.000 0.944 46 Q CA 0.709 56.486 55.803 -0.042 0.000 0.892 46 Q CB 0.235 28.939 28.738 -0.056 0.000 0.983 46 Q HN 0.377 8.647 8.270 -0.000 0.000 0.482 47 I N -0.695 119.757 120.570 -0.196 0.000 2.429 47 I HA -0.073 4.095 4.170 -0.002 0.000 0.247 47 I C 0.052 175.860 176.117 -0.514 0.000 1.099 47 I CA 0.503 61.495 61.300 -0.513 0.000 1.422 47 I CB 0.359 37.850 38.000 -0.848 0.000 1.112 47 I HN -0.015 8.195 8.210 -0.000 0.000 0.430 48 F N 1.101 121.051 119.950 0.001 0.000 2.334 48 F HA 0.179 4.705 4.527 -0.002 0.000 0.367 48 F C 1.615 177.471 175.800 0.093 0.000 1.115 48 F CA -0.644 57.416 58.000 0.100 0.000 1.116 48 F CB 0.856 39.905 39.000 0.082 0.000 1.230 48 F HN -0.087 8.213 8.300 -0.000 0.000 0.484 49 S N -0.432 115.397 115.700 0.215 0.000 2.419 49 S HA -0.153 4.315 4.470 -0.002 0.000 0.233 49 S C 0.469 175.160 174.600 0.152 0.000 1.016 49 S CA 0.530 58.813 58.200 0.139 0.000 0.974 49 S CB -0.214 63.043 63.200 0.095 0.000 0.786 49 S HN 0.589 8.899 8.310 -0.000 0.000 0.492 50 D N 1.609 122.139 120.400 0.217 0.000 2.295 50 D HA 0.227 4.866 4.640 -0.002 0.000 0.248 50 D C 0.164 176.572 176.300 0.180 0.000 1.154 50 D CA -0.436 53.673 54.000 0.182 0.000 0.857 50 D CB 1.113 42.028 40.800 0.192 0.000 1.117 50 D HN -0.129 8.241 8.370 -0.000 0.000 0.468 51 D N 3.067 123.536 120.400 0.115 0.000 2.123 51 D HA -0.165 4.474 4.640 -0.002 0.000 0.196 51 D C 1.768 178.115 176.300 0.078 0.000 0.992 51 D CA 1.560 55.610 54.000 0.083 0.000 0.833 51 D CB -0.182 40.652 40.800 0.056 0.000 0.954 51 D HN 0.555 8.925 8.370 -0.000 0.000 0.455 52 A N 0.398 123.275 122.820 0.095 0.000 1.883 52 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 52 A C 2.120 179.784 177.584 0.133 0.000 1.186 52 A CA 1.213 53.306 52.037 0.094 0.000 0.624 52 A CB -0.980 18.076 19.000 0.095 0.000 0.822 52 A HN 0.247 8.397 8.150 -0.000 0.000 0.444 53 F N 0.752 120.698 119.950 -0.006 0.000 2.206 53 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 53 F C 2.516 178.230 175.800 -0.144 0.000 1.090 53 F CA 0.565 58.537 58.000 -0.047 0.000 1.323 53 F CB -0.627 38.377 39.000 0.007 0.000 1.028 53 F HN 0.251 8.551 8.300 -0.000 0.000 0.492 54 A N -0.068 122.684 122.820 -0.112 0.000 1.883 54 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 54 A C 2.114 179.552 177.584 -0.242 0.000 1.186 54 A CA 1.913 53.811 52.037 -0.232 0.000 0.624 54 A CB -0.998 18.009 19.000 0.011 0.000 0.822 54 A HN 0.402 8.552 8.150 -0.000 0.000 0.444 55 E N -0.546 119.583 120.200 -0.119 0.000 2.097 55 E HA -0.145 4.203 4.350 -0.002 0.000 0.196 55 E C 2.078 178.595 176.600 -0.139 0.000 1.000 55 E CA 1.987 58.330 56.400 -0.095 0.000 0.804 55 E CB -0.573 29.106 29.700 -0.035 0.000 0.740 55 E HN 0.530 8.890 8.360 -0.000 0.000 0.454 56 T N 0.733 115.188 114.554 -0.164 0.000 2.684 56 T HA -0.136 4.212 4.350 -0.002 0.000 0.267 56 T C 1.666 176.193 174.700 -0.288 0.000 1.036 56 T CA 1.335 63.331 62.100 -0.173 0.000 1.148 56 T CB -0.155 68.659 68.868 -0.090 0.000 0.863 56 T HN 0.130 8.370 8.240 -0.000 0.000 0.436 57 I N 1.442 121.695 120.570 -0.528 0.000 2.252 57 I HA -0.118 4.050 4.170 -0.002 0.000 0.245 57 I C 2.475 178.416 176.117 -0.294 0.000 1.102 57 I CA 1.331 62.304 61.300 -0.545 0.000 1.385 57 I CB -1.052 36.346 38.000 -1.004 0.000 1.064 57 I HN 0.357 8.567 8.210 -0.000 0.000 0.414 58 K N 1.231 121.489 120.400 -0.238 0.000 2.044 58 K HA -0.253 4.066 4.320 -0.002 0.000 0.210 58 K C 1.593 178.133 176.600 -0.101 0.000 1.049 58 K CA 2.236 58.444 56.287 -0.131 0.000 0.927 58 K CB -0.081 32.360 32.500 -0.098 0.000 0.713 58 K HN 0.212 8.462 8.250 -0.000 0.000 0.443 59 D N 0.365 120.703 120.400 -0.103 0.000 2.123 59 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 59 D C 1.745 178.006 176.300 -0.065 0.000 0.976 59 D CA 0.782 54.740 54.000 -0.070 0.000 0.831 59 D CB -0.398 40.367 40.800 -0.058 0.000 0.974 59 D HN 0.339 8.709 8.370 -0.000 0.000 0.469 60 N N 0.530 119.180 118.700 -0.083 0.000 2.205 60 N HA -0.097 4.642 4.740 -0.002 0.000 0.186 60 N C 1.649 177.128 175.510 -0.052 0.000 1.015 60 N CA 0.531 53.544 53.050 -0.061 0.000 0.862 60 N CB 0.033 38.480 38.487 -0.067 0.000 0.986 60 N HN 0.217 8.597 8.380 -0.000 0.000 0.429 61 L N 0.888 122.071 121.223 -0.067 0.000 2.591 61 L HA 0.075 4.414 4.340 -0.002 0.000 0.228 61 L C 0.188 177.037 176.870 -0.035 0.000 1.133 61 L CA 0.233 55.046 54.840 -0.045 0.000 0.880 61 L CB -0.060 41.970 42.059 -0.049 0.000 1.033 61 L HN 0.059 8.289 8.230 -0.000 0.000 0.450 62 K N -0.536 119.841 120.400 -0.038 0.000 3.069 62 K HA -0.186 4.133 4.320 -0.002 0.000 0.267 62 K C -0.158 176.426 176.600 -0.027 0.000 1.082 62 K CA 0.743 57.013 56.287 -0.029 0.000 0.782 62 K CB -1.399 31.088 32.500 -0.021 0.000 1.230 62 K HN 0.273 8.523 8.250 -0.000 0.000 0.488 63 K N 0.707 121.087 120.400 -0.033 0.000 2.127 63 K HA 0.213 4.532 4.320 -0.002 0.000 0.240 63 K C 1.121 177.705 176.600 -0.027 0.000 1.024 63 K CA -0.521 55.749 56.287 -0.028 0.000 0.918 63 K CB 0.879 33.360 32.500 -0.030 0.000 1.108 63 K HN 0.031 8.281 8.250 -0.000 0.000 0.485 64 K N 0.036 120.424 120.400 -0.021 0.000 2.202 64 K HA -0.010 4.308 4.320 -0.002 0.000 0.201 64 K C 0.444 177.033 176.600 -0.019 0.000 1.051 64 K CA 0.453 56.730 56.287 -0.018 0.000 0.977 64 K CB 0.447 32.939 32.500 -0.013 0.000 0.792 64 K HN 0.452 8.702 8.250 -0.000 0.000 0.469 65 S N -0.913 114.775 115.700 -0.019 0.000 2.541 65 S HA 0.153 4.622 4.470 -0.002 0.000 0.271 65 S C 0.588 175.177 174.600 -0.019 0.000 1.133 65 S CA -0.565 57.625 58.200 -0.017 0.000 0.876 65 S CB 1.730 64.924 63.200 -0.011 0.000 1.105 65 S HN 0.061 8.371 8.310 -0.000 0.000 0.470 66 V N 1.626 121.529 119.914 -0.017 0.000 3.078 66 V HA 0.079 4.198 4.120 -0.002 0.000 0.265 66 V C 1.848 177.943 176.094 0.002 0.000 1.122 66 V CA 2.027 64.319 62.300 -0.013 0.000 1.141 66 V CB -1.705 30.113 31.823 -0.009 0.000 0.735 66 V HN 1.027 9.217 8.190 -0.000 0.000 0.498 67 T N -3.266 111.288 114.554 -0.001 0.000 3.129 67 T HA 0.086 4.435 4.350 -0.002 0.000 0.251 67 T C 0.337 175.036 174.700 -0.001 0.000 1.117 67 T CA -0.032 62.069 62.100 0.001 0.000 1.034 67 T CB -0.618 68.249 68.868 -0.000 0.000 0.968 67 T HN 0.476 8.716 8.240 -0.000 0.000 0.526 68 D N 2.573 122.971 120.400 -0.003 0.000 2.351 68 D HA 0.530 5.169 4.640 -0.002 0.000 0.251 68 D C 0.310 176.609 176.300 -0.001 0.000 1.137 68 D CA -0.070 53.928 54.000 -0.004 0.000 0.879 68 D CB 1.324 42.119 40.800 -0.008 0.000 1.181 68 D HN 0.504 8.874 8.370 -0.000 0.000 0.448 69 A N 1.947 124.765 122.820 -0.003 0.000 2.445 69 A HA 0.438 4.757 4.320 -0.002 0.000 0.242 69 A C 0.184 177.768 177.584 0.000 0.000 1.075 69 A CA -0.299 51.736 52.037 -0.005 0.000 0.777 69 A CB 0.316 19.311 19.000 -0.008 0.000 1.013 69 A HN 0.437 8.587 8.150 -0.000 0.000 0.493 70 V N -0.190 119.725 119.914 0.001 0.000 2.876 70 V HA 0.843 4.961 4.120 -0.002 0.000 0.312 70 V C 0.090 176.186 176.094 0.003 0.000 1.085 70 V CA -0.133 62.173 62.300 0.010 0.000 0.945 70 V CB 1.151 32.993 31.823 0.032 0.000 1.017 70 V HN 1.247 9.437 8.190 -0.000 0.000 0.428 71 T N -0.133 114.427 114.554 0.010 0.000 2.824 71 T HA 0.389 4.738 4.350 -0.002 0.000 0.277 71 T C 0.713 175.428 174.700 0.025 0.000 0.975 71 T CA 0.312 62.418 62.100 0.011 0.000 0.966 71 T CB 1.527 70.403 68.868 0.012 0.000 1.054 71 T HN 0.817 9.057 8.240 -0.000 0.000 0.533 72 Q N 0.409 120.228 119.800 0.032 0.000 2.172 72 Q HA -0.055 4.284 4.340 -0.002 0.000 0.200 72 Q C 2.099 178.129 176.000 0.050 0.000 0.964 72 Q CA 1.777 57.613 55.803 0.055 0.000 0.855 72 Q CB -0.756 28.020 28.738 0.063 0.000 0.918 72 Q HN 0.853 9.123 8.270 -0.000 0.000 0.444 73 N N -0.032 118.689 118.700 0.034 0.000 2.104 73 N HA -0.215 4.524 4.740 -0.002 0.000 0.190 73 N C 1.404 176.932 175.510 0.031 0.000 1.024 73 N CA 1.843 54.910 53.050 0.028 0.000 0.853 73 N CB -0.021 38.478 38.487 0.019 0.000 1.008 73 N HN 0.353 8.733 8.380 -0.000 0.000 0.424 74 E N -0.063 120.155 120.200 0.030 0.000 2.058 74 E HA -0.174 4.174 4.350 -0.002 0.000 0.194 74 E C 2.054 178.681 176.600 0.045 0.000 0.997 74 E CA 1.302 57.720 56.400 0.031 0.000 0.801 74 E CB -0.202 29.514 29.700 0.026 0.000 0.746 74 E HN 0.426 8.786 8.360 -0.000 0.000 0.450 75 L N 1.192 122.455 121.223 0.068 0.000 2.083 75 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 75 L C 1.971 178.892 176.870 0.086 0.000 1.083 75 L CA 0.666 55.567 54.840 0.102 0.000 0.752 75 L CB -0.454 41.694 42.059 0.149 0.000 0.899 75 L HN 0.132 8.362 8.230 -0.000 0.000 0.433 76 N N -0.230 118.510 118.700 0.066 0.000 2.364 76 N HA -0.122 4.617 4.740 -0.002 0.000 0.183 76 N C 1.844 177.375 175.510 0.036 0.000 1.022 76 N CA 1.464 54.544 53.050 0.049 0.000 0.883 76 N CB -0.115 38.395 38.487 0.038 0.000 0.965 76 N HN 0.382 8.761 8.380 -0.000 0.000 0.438 77 S N -0.720 114.999 115.700 0.033 0.000 2.556 77 S HA 0.231 4.699 4.470 -0.002 0.000 0.216 77 S C 0.671 175.284 174.600 0.022 0.000 0.970 77 S CA -0.398 57.815 58.200 0.022 0.000 0.912 77 S CB -0.065 63.146 63.200 0.017 0.000 0.790 77 S HN 0.087 8.397 8.310 -0.000 0.000 0.504 78 I N 2.971 123.560 120.570 0.032 0.000 2.436 78 I HA 0.166 4.335 4.170 -0.002 0.000 0.289 78 I C 1.119 177.255 176.117 0.032 0.000 1.083 78 I CA -0.109 61.210 61.300 0.033 0.000 1.372 78 I CB 0.931 38.958 38.000 0.043 0.000 1.408 78 I HN 0.116 8.326 8.210 -0.000 0.000 0.516 79 D N 4.508 124.922 120.400 0.023 0.000 2.327 79 D HA -0.023 4.616 4.640 -0.002 0.000 0.205 79 D C 0.403 176.719 176.300 0.027 0.000 0.989 79 D CA 0.768 54.775 54.000 0.011 0.000 0.873 79 D CB 0.533 41.330 40.800 -0.006 0.000 0.955 79 D HN 0.575 8.945 8.370 -0.000 0.000 0.515 80 Q N 0.172 120.009 119.800 0.061 0.000 2.268 80 Q HA 0.437 4.776 4.340 -0.002 0.000 0.266 80 Q C -1.728 174.355 176.000 0.139 0.000 1.006 80 Q CA -0.592 55.284 55.803 0.122 0.000 0.824 80 Q CB 1.481 30.299 28.738 0.133 0.000 1.306 80 Q HN 0.071 8.341 8.270 -0.000 0.000 0.424 81 I N 5.072 125.763 120.570 0.202 0.000 2.389 81 I HA 0.393 4.562 4.170 -0.002 0.000 0.288 81 I C -0.641 175.667 176.117 0.319 0.000 0.999 81 I CA -0.646 60.772 61.300 0.198 0.000 1.129 81 I CB 1.617 39.733 38.000 0.194 0.000 1.288 81 I HN 0.570 8.780 8.210 -0.000 0.000 0.444 82 I N 6.497 127.193 120.570 0.210 0.000 2.330 82 I HA 0.413 4.582 4.170 -0.002 0.000 0.286 82 I C 0.503 176.705 176.117 0.141 0.000 1.025 82 I CA 0.085 61.487 61.300 0.171 0.000 1.197 82 I CB 1.284 39.272 38.000 -0.020 0.000 1.358 82 I HN 0.681 8.891 8.210 -0.000 0.000 0.467 83 A N 4.505 127.450 122.820 0.208 0.000 2.806 83 A HA 0.398 4.716 4.320 -0.002 0.000 0.266 83 A C -0.294 177.379 177.584 0.149 0.000 0.926 83 A CA -0.656 51.484 52.037 0.173 0.000 1.068 83 A CB -0.469 18.677 19.000 0.243 0.000 1.189 83 A HN 0.645 8.795 8.150 -0.000 0.000 0.481 84 N N 1.610 120.383 118.700 0.122 0.000 2.508 84 N HA 0.203 4.942 4.740 -0.002 0.000 0.264 84 N C 0.240 175.785 175.510 0.059 0.000 1.216 84 N CA 0.082 53.189 53.050 0.094 0.000 0.943 84 N CB 0.011 38.537 38.487 0.065 0.000 1.113 84 N HN 0.392 8.772 8.380 -0.000 0.000 0.447 85 N N -0.690 118.038 118.700 0.047 0.000 2.740 85 N HA -0.185 4.554 4.740 -0.002 0.000 0.248 85 N C -0.820 174.707 175.510 0.029 0.000 1.062 85 N CA 0.422 53.487 53.050 0.027 0.000 0.704 85 N CB -0.931 37.562 38.487 0.011 0.000 0.968 85 N HN 0.446 8.826 8.380 -0.000 0.000 0.547 86 S N -0.351 115.375 115.700 0.044 0.000 2.730 86 S HA 0.089 4.558 4.470 -0.002 0.000 0.244 86 S C 0.377 175.007 174.600 0.050 0.000 1.022 86 S CA -0.171 58.058 58.200 0.049 0.000 1.014 86 S CB 0.702 63.944 63.200 0.071 0.000 0.963 86 S HN 0.470 8.780 8.310 -0.000 0.000 0.540 87 D N 1.209 121.634 120.400 0.040 0.000 2.945 87 D HA -0.157 4.482 4.640 -0.002 0.000 0.225 87 D C -0.387 175.939 176.300 0.042 0.000 1.158 87 D CA 0.378 54.398 54.000 0.034 0.000 0.805 87 D CB -1.546 39.271 40.800 0.030 0.000 1.098 87 D HN 0.480 8.850 8.370 -0.000 0.000 0.426 88 I N 0.288 120.889 120.570 0.050 0.000 2.598 88 I HA -0.035 4.134 4.170 -0.002 0.000 0.284 88 I C 1.711 177.833 176.117 0.010 0.000 1.140 88 I CA 0.587 61.914 61.300 0.046 0.000 1.420 88 I CB 0.754 38.775 38.000 0.035 0.000 1.387 88 I HN -0.020 8.190 8.210 -0.000 0.000 0.553 89 K N 3.092 123.500 120.400 0.013 0.000 2.355 89 K HA 0.197 4.515 4.320 -0.002 0.000 0.198 89 K C 0.134 176.724 176.600 -0.017 0.000 1.039 89 K CA 0.166 56.455 56.287 0.002 0.000 1.075 89 K CB 0.652 33.162 32.500 0.018 0.000 0.870 89 K HN 0.563 8.813 8.250 -0.000 0.000 0.540 90 S N 0.353 116.029 115.700 -0.040 0.000 2.582 90 S HA 0.106 4.575 4.470 -0.002 0.000 0.287 90 S C -0.255 174.235 174.600 -0.183 0.000 1.146 90 S CA -0.819 57.341 58.200 -0.067 0.000 0.941 90 S CB 1.440 64.642 63.200 0.004 0.000 1.115 90 S HN 0.018 8.328 8.310 -0.000 0.000 0.458 91 V N 2.213 121.942 119.914 -0.309 0.000 3.415 91 V HA 0.450 4.569 4.120 -0.002 0.000 0.325 91 V C 0.548 176.591 176.094 -0.085 0.000 1.313 91 V CA -0.118 61.823 62.300 -0.597 0.000 1.228 91 V CB -0.621 30.832 31.823 -0.616 0.000 1.131 91 V HN 0.760 8.950 8.190 -0.000 0.000 0.433 92 Q N 1.939 121.765 119.800 0.044 0.000 2.247 92 Q HA 0.427 4.766 4.340 -0.002 0.000 0.288 92 Q C 1.244 177.407 176.000 0.271 0.000 1.079 92 Q CA 1.721 57.601 55.803 0.129 0.000 0.932 92 Q CB 0.234 29.029 28.738 0.096 0.000 1.133 92 Q HN 1.001 9.271 8.270 -0.000 0.000 0.377 93 G N 3.774 112.715 108.800 0.234 0.000 2.278 93 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.210 93 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.210 93 G C 0.691 175.809 174.900 0.364 0.000 1.000 93 G CA 0.076 45.267 45.100 0.152 0.000 0.635 93 G HN 0.669 8.959 8.290 -0.000 0.000 0.495 94 I N 1.314 122.205 120.570 0.536 0.000 2.756 94 I HA -0.116 4.053 4.170 -0.002 0.000 0.262 94 I C 2.537 178.818 176.117 0.274 0.000 1.225 94 I CA 1.925 63.538 61.300 0.522 0.000 1.472 94 I CB 0.056 38.289 38.000 0.388 0.000 1.094 94 I HN 0.357 8.567 8.210 -0.000 0.000 0.454 95 Q N -0.103 119.789 119.800 0.153 0.000 2.152 95 Q HA -0.237 4.101 4.340 -0.002 0.000 0.206 95 Q C 1.436 177.388 176.000 -0.080 0.000 0.985 95 Q CA 1.866 57.657 55.803 -0.021 0.000 0.863 95 Q CB -0.484 28.160 28.738 -0.157 0.000 0.904 95 Q HN 0.588 8.858 8.270 -0.000 0.000 0.422 96 Y N -0.606 119.711 120.300 0.027 0.000 2.619 96 Y HA 0.051 4.600 4.550 -0.002 0.000 0.308 96 Y C -0.050 175.894 175.900 0.074 0.000 1.192 96 Y CA 0.080 58.187 58.100 0.012 0.000 1.319 96 Y CB 0.264 38.677 38.460 -0.078 0.000 1.030 96 Y HN 0.010 8.290 8.280 -0.000 0.000 0.517 97 L N 1.913 123.265 121.223 0.216 0.000 2.709 97 L HA 0.272 4.610 4.340 -0.002 0.000 0.236 97 L C -1.622 175.306 176.870 0.096 0.000 1.266 97 L CA -1.278 53.666 54.840 0.172 0.000 0.987 97 L CB 0.667 42.855 42.059 0.214 0.000 1.306 97 L HN -0.139 8.091 8.230 -0.000 0.000 0.467 98 P HA -0.068 4.352 4.420 -0.000 0.000 0.228 98 P C 0.348 177.657 177.300 0.016 0.000 1.151 98 P CA 1.030 64.142 63.100 0.020 0.000 0.770 98 P CB 0.408 32.109 31.700 0.001 0.000 0.786 99 N N -0.649 118.067 118.700 0.025 0.000 2.205 99 N HA 0.034 4.773 4.740 -0.002 0.000 0.201 99 N C 0.248 175.762 175.510 0.006 0.000 1.128 99 N CA -0.165 52.892 53.050 0.011 0.000 0.867 99 N CB 0.446 38.940 38.487 0.011 0.000 0.996 99 N HN 0.036 8.416 8.380 -0.000 0.000 0.503 100 V N 2.336 122.263 119.914 0.022 0.000 2.599 100 V HA 0.026 4.145 4.120 -0.002 0.000 0.300 100 V C 1.356 177.439 176.094 -0.018 0.000 1.034 100 V CA 1.005 63.316 62.300 0.018 0.000 1.115 100 V CB 0.776 32.631 31.823 0.054 0.000 0.934 100 V HN 0.441 8.631 8.190 -0.000 0.000 0.485 101 T N 2.978 117.503 114.554 -0.049 0.000 2.971 101 T HA 0.371 4.720 4.350 -0.002 0.000 0.252 101 T C 0.407 175.012 174.700 -0.158 0.000 1.022 101 T CA -0.110 61.925 62.100 -0.109 0.000 0.980 101 T CB 0.118 68.898 68.868 -0.147 0.000 1.044 101 T HN 0.615 8.855 8.240 -0.000 0.000 0.501 102 K N 0.817 121.155 120.400 -0.104 0.000 2.443 102 K HA 0.711 5.030 4.320 -0.002 0.000 0.252 102 K C -1.666 174.906 176.600 -0.046 0.000 0.933 102 K CA -0.508 55.717 56.287 -0.104 0.000 0.792 102 K CB 2.753 35.265 32.500 0.020 0.000 1.185 102 K HN 0.101 8.351 8.250 -0.000 0.000 0.425 103 L N 3.908 125.002 121.223 -0.214 0.000 2.406 103 L HA 0.495 4.834 4.340 -0.002 0.000 0.272 103 L C -1.377 175.367 176.870 -0.211 0.000 0.980 103 L CA -0.728 54.062 54.840 -0.083 0.000 0.831 103 L CB 1.034 43.061 42.059 -0.053 0.000 1.253 103 L HN 0.572 8.802 8.230 -0.000 0.000 0.406 104 F N 5.146 125.220 119.950 0.206 0.000 2.293 104 F HA 0.355 4.881 4.527 -0.001 0.000 0.370 104 F C 0.581 176.484 175.800 0.171 0.000 1.090 104 F CA -0.276 57.884 58.000 0.266 0.000 1.133 104 F CB 0.753 39.905 39.000 0.253 0.000 1.360 104 F HN 0.314 8.614 8.300 -0.000 0.000 0.489 105 L N 1.989 123.358 121.223 0.244 0.000 3.066 105 L HA 0.252 4.591 4.340 -0.002 0.000 0.265 105 L C 0.162 177.111 176.870 0.131 0.000 1.232 105 L CA -0.398 54.535 54.840 0.154 0.000 1.031 105 L CB -0.431 41.670 42.059 0.070 0.000 1.379 105 L HN 0.381 8.611 8.230 -0.000 0.000 0.563 106 N N 1.411 120.212 118.700 0.169 0.000 2.353 106 N HA 0.137 4.876 4.740 -0.002 0.000 0.248 106 N C 1.119 176.672 175.510 0.072 0.000 1.240 106 N CA 1.262 54.380 53.050 0.114 0.000 0.862 106 N CB 0.494 39.044 38.487 0.105 0.000 1.086 106 N HN 0.326 8.706 8.380 -0.000 0.000 0.453 107 G N 0.778 109.604 108.800 0.043 0.000 2.333 107 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.296 107 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.296 107 G C -0.044 174.871 174.900 0.026 0.000 1.059 107 G CA -0.097 45.015 45.100 0.020 0.000 1.050 107 G HN 0.649 8.939 8.290 -0.000 0.000 0.508 108 N N -0.827 117.890 118.700 0.029 0.000 3.184 108 N HA 0.491 5.230 4.740 -0.002 0.000 0.353 108 N C 0.495 176.015 175.510 0.016 0.000 1.441 108 N CA -0.703 52.362 53.050 0.025 0.000 0.723 108 N CB 0.764 39.267 38.487 0.028 0.000 1.547 108 N HN 0.170 8.550 8.380 -0.000 0.000 0.624 109 K N 0.665 121.072 120.400 0.012 0.000 2.896 109 K HA 0.421 4.740 4.320 -0.002 0.000 0.210 109 K C -0.444 176.157 176.600 0.001 0.000 1.116 109 K CA -0.140 56.152 56.287 0.009 0.000 1.050 109 K CB 0.198 32.705 32.500 0.011 0.000 0.812 109 K HN 0.252 8.502 8.250 -0.000 0.000 0.462 110 L N 1.275 122.494 121.223 -0.006 0.000 2.426 110 L HA 0.092 4.431 4.340 -0.002 0.000 0.271 110 L C 1.005 177.871 176.870 -0.007 0.000 1.169 110 L CA 0.416 55.245 54.840 -0.018 0.000 0.836 110 L CB 0.749 42.788 42.059 -0.032 0.000 1.112 110 L HN 0.288 8.518 8.230 -0.000 0.000 0.465 111 T N -2.220 112.328 114.554 -0.010 0.000 3.516 111 T HA 0.354 4.703 4.350 -0.002 0.000 0.300 111 T C -0.577 174.118 174.700 -0.008 0.000 0.995 111 T CA -0.579 61.519 62.100 -0.004 0.000 0.982 111 T CB -0.201 68.668 68.868 0.001 0.000 1.199 111 T HN 0.710 8.950 8.240 -0.000 0.000 0.481 112 D N 0.679 121.070 120.400 -0.015 0.000 2.419 112 D HA 0.161 4.799 4.640 -0.002 0.000 0.194 112 D C -0.295 175.988 176.300 -0.030 0.000 1.096 112 D CA -0.745 53.244 54.000 -0.018 0.000 0.821 112 D CB 0.485 41.276 40.800 -0.015 0.000 3.027 112 D HN 0.321 8.691 8.370 -0.000 0.000 0.479 113 I N 0.292 120.844 120.570 -0.029 0.000 3.658 113 I HA 0.357 4.526 4.170 -0.002 0.000 0.328 113 I C 1.075 177.173 176.117 -0.032 0.000 1.567 113 I CA -0.841 60.437 61.300 -0.037 0.000 1.078 113 I CB 0.500 38.480 38.000 -0.035 0.000 1.267 113 I HN 0.156 8.366 8.210 -0.000 0.000 0.495 114 K N 1.893 122.277 120.400 -0.027 0.000 2.103 114 K HA -0.051 4.268 4.320 -0.002 0.000 0.207 114 K C -0.617 175.970 176.600 -0.022 0.000 1.048 114 K CA 1.712 57.984 56.287 -0.025 0.000 0.930 114 K CB -1.177 31.311 32.500 -0.020 0.000 0.716 114 K HN 0.367 8.617 8.250 -0.000 0.000 0.444 115 P HA -0.160 4.260 4.420 -0.000 0.000 0.218 115 P C 0.893 178.190 177.300 -0.006 0.000 1.146 115 P CA 1.139 64.236 63.100 -0.005 0.000 0.813 115 P CB -0.014 31.690 31.700 0.007 0.000 0.778 116 L N -1.799 119.414 121.223 -0.017 0.000 2.465 116 L HA 0.003 4.342 4.340 -0.002 0.000 0.224 116 L C 2.296 179.153 176.870 -0.022 0.000 1.145 116 L CA 0.699 55.529 54.840 -0.016 0.000 0.834 116 L CB -1.049 40.994 42.059 -0.027 0.000 0.944 116 L HN -0.044 8.186 8.230 -0.000 0.000 0.451 117 A N 1.881 124.685 122.820 -0.027 0.000 2.024 117 A HA -0.213 4.106 4.320 -0.002 0.000 0.220 117 A C 1.787 179.352 177.584 -0.032 0.000 1.164 117 A CA 2.092 54.109 52.037 -0.032 0.000 0.643 117 A CB -0.555 18.424 19.000 -0.036 0.000 0.806 117 A HN 0.681 8.831 8.150 -0.000 0.000 0.451 118 N N -0.769 117.913 118.700 -0.031 0.000 2.203 118 N HA 0.157 4.895 4.740 -0.002 0.000 0.207 118 N C -0.074 175.420 175.510 -0.027 0.000 1.130 118 N CA -0.096 52.933 53.050 -0.034 0.000 0.861 118 N CB -0.474 37.984 38.487 -0.048 0.000 1.005 118 N HN 0.361 8.741 8.380 -0.000 0.000 0.507 119 L N 0.953 122.165 121.223 -0.018 0.000 2.391 119 L HA 0.257 4.596 4.340 -0.002 0.000 0.249 119 L C 1.039 177.899 176.870 -0.018 0.000 1.308 119 L CA -0.198 54.636 54.840 -0.011 0.000 1.209 119 L CB 0.024 42.084 42.059 0.002 0.000 1.401 119 L HN 0.023 8.253 8.230 -0.000 0.000 0.416 120 K N 0.223 120.611 120.400 -0.019 0.000 2.360 120 K HA -0.072 4.247 4.320 -0.002 0.000 0.201 120 K C 1.140 177.727 176.600 -0.020 0.000 1.046 120 K CA 0.657 56.932 56.287 -0.019 0.000 0.945 120 K CB 0.088 32.577 32.500 -0.018 0.000 0.750 120 K HN 0.458 8.708 8.250 -0.000 0.000 0.464 121 N N 0.865 119.551 118.700 -0.023 0.000 2.383 121 N HA -0.012 4.726 4.740 -0.002 0.000 0.192 121 N C -0.375 175.108 175.510 -0.045 0.000 1.141 121 N CA 0.075 53.106 53.050 -0.031 0.000 0.851 121 N CB 0.167 38.636 38.487 -0.030 0.000 0.976 121 N HN 0.047 8.427 8.380 -0.000 0.000 0.465 122 L N 0.598 121.796 121.223 -0.042 0.000 2.477 122 L HA 0.183 4.522 4.340 -0.002 0.000 0.272 122 L C 1.418 178.253 176.870 -0.058 0.000 1.157 122 L CA 0.302 55.107 54.840 -0.058 0.000 0.889 122 L CB 0.876 42.904 42.059 -0.052 0.000 1.158 122 L HN 0.061 8.291 8.230 -0.000 0.000 0.473 123 G N 3.952 112.698 108.800 -0.089 0.000 2.727 123 G HA2 0.010 3.969 3.960 -0.002 0.000 0.203 123 G HA3 0.010 3.969 3.960 -0.002 0.000 0.203 123 G C -0.534 174.435 174.900 0.115 0.000 1.117 123 G CA -0.136 44.936 45.100 -0.047 0.000 0.817 123 G HN 0.477 8.767 8.290 -0.000 0.000 0.553 124 W N 0.109 121.259 121.300 -0.250 0.000 2.532 124 W HA 0.778 5.437 4.660 -0.002 0.000 0.321 124 W C -1.200 174.833 176.519 -0.811 0.000 1.037 124 W CA -1.709 55.321 57.345 -0.524 0.000 1.220 124 W CB 1.264 30.432 29.460 -0.486 0.000 1.361 124 W HN -0.065 8.115 8.180 -0.000 0.000 0.468 125 L N 4.424 125.182 121.223 -0.776 0.000 2.406 125 L HA 0.668 5.007 4.340 -0.002 0.000 0.272 125 L C -1.815 174.580 176.870 -0.791 0.000 0.980 125 L CA -0.981 53.465 54.840 -0.657 0.000 0.831 125 L CB 0.891 42.788 42.059 -0.271 0.000 1.253 125 L HN 0.238 8.468 8.230 -0.000 0.000 0.406 126 F N 6.147 126.034 119.950 -0.105 0.000 2.499 126 F HA 0.502 5.028 4.527 -0.003 0.000 0.333 126 F C 0.252 176.043 175.800 -0.016 0.000 1.138 126 F CA -0.540 57.420 58.000 -0.066 0.000 0.945 126 F CB 1.515 40.459 39.000 -0.093 0.000 1.181 126 F HN 0.241 8.541 8.300 -0.000 0.000 0.435 127 L N 2.640 123.958 121.223 0.159 0.000 3.288 127 L HA 0.282 4.620 4.340 -0.002 0.000 0.293 127 L C -0.605 176.323 176.870 0.096 0.000 1.294 127 L CA -0.350 54.547 54.840 0.095 0.000 1.006 127 L CB -0.120 41.969 42.059 0.050 0.000 1.407 127 L HN 0.493 8.723 8.230 -0.000 0.000 0.592 128 D N 1.331 121.798 120.400 0.113 0.000 2.400 128 D HA 0.047 4.686 4.640 -0.002 0.000 0.238 128 D C 0.596 176.946 176.300 0.083 0.000 1.157 128 D CA 0.299 54.360 54.000 0.101 0.000 0.889 128 D CB 0.481 41.329 40.800 0.081 0.000 1.199 128 D HN 0.169 8.539 8.370 -0.000 0.000 0.436 129 E N -0.315 119.947 120.200 0.103 0.000 2.360 129 E HA -0.236 4.113 4.350 -0.002 0.000 0.238 129 E C -0.218 176.409 176.600 0.045 0.000 1.186 129 E CA 0.415 56.852 56.400 0.062 0.000 0.719 129 E CB -1.077 28.614 29.700 -0.014 0.000 1.236 129 E HN 0.383 8.743 8.360 -0.000 0.000 0.386 130 N N 0.150 118.882 118.700 0.053 0.000 2.989 130 N HA 0.377 5.115 4.740 -0.002 0.000 0.338 130 N C -0.169 175.363 175.510 0.037 0.000 1.369 130 N CA -0.770 52.301 53.050 0.035 0.000 0.794 130 N CB 0.882 39.386 38.487 0.028 0.000 1.359 130 N HN -0.050 8.330 8.380 -0.000 0.000 0.609 131 K N 1.098 121.513 120.400 0.025 0.000 2.961 131 K HA 0.361 4.679 4.320 -0.002 0.000 0.187 131 K C -1.153 175.456 176.600 0.016 0.000 1.110 131 K CA -0.174 56.127 56.287 0.023 0.000 0.968 131 K CB 0.783 33.294 32.500 0.019 0.000 1.287 131 K HN 0.169 8.419 8.250 -0.000 0.000 0.578 132 V N 1.884 121.808 119.914 0.017 0.000 2.370 132 V HA 0.223 4.342 4.120 -0.002 0.000 0.279 132 V C 0.574 176.674 176.094 0.011 0.000 1.029 132 V CA -0.350 61.956 62.300 0.010 0.000 0.870 132 V CB 1.415 33.243 31.823 0.008 0.000 0.984 132 V HN 0.482 8.672 8.190 -0.000 0.000 0.451 133 K N 1.473 121.877 120.400 0.007 0.000 2.491 133 K HA 0.130 4.448 4.320 -0.002 0.000 0.211 133 K C 0.155 176.757 176.600 0.003 0.000 1.210 133 K CA -0.123 56.168 56.287 0.007 0.000 1.003 133 K CB 0.590 33.094 32.500 0.007 0.000 1.009 133 K HN 0.805 9.055 8.250 -0.000 0.000 0.577 134 D N 2.466 122.864 120.400 -0.002 0.000 2.713 134 D HA 0.002 4.641 4.640 -0.002 0.000 0.229 134 D C 0.813 177.106 176.300 -0.012 0.000 1.136 134 D CA -0.089 53.906 54.000 -0.008 0.000 1.010 134 D CB 0.094 40.886 40.800 -0.013 0.000 1.084 134 D HN 0.093 8.463 8.370 -0.000 0.000 0.495 135 L N 0.119 121.339 121.223 -0.005 0.000 2.362 135 L HA -0.124 4.215 4.340 -0.002 0.000 0.219 135 L C 1.980 178.839 176.870 -0.018 0.000 1.134 135 L CA 0.431 55.270 54.840 -0.003 0.000 0.807 135 L CB -0.392 41.675 42.059 0.012 0.000 0.927 135 L HN 0.159 8.389 8.230 -0.000 0.000 0.447 136 S N -0.387 115.292 115.700 -0.034 0.000 2.442 136 S HA -0.134 4.335 4.470 -0.002 0.000 0.236 136 S C 2.161 176.708 174.600 -0.088 0.000 1.007 136 S CA 1.129 59.280 58.200 -0.082 0.000 0.965 136 S CB -0.074 63.075 63.200 -0.084 0.000 0.773 136 S HN 0.400 8.710 8.310 -0.000 0.000 0.504 137 S N 1.710 117.376 115.700 -0.056 0.000 2.420 137 S HA -0.004 4.464 4.470 -0.002 0.000 0.237 137 S C 1.440 176.010 174.600 -0.050 0.000 1.023 137 S CA 0.867 59.037 58.200 -0.050 0.000 0.991 137 S CB -0.313 62.865 63.200 -0.036 0.000 0.792 137 S HN 0.463 8.773 8.310 -0.000 0.000 0.488 138 L N 1.421 122.618 121.223 -0.044 0.000 2.591 138 L HA 0.065 4.404 4.340 -0.002 0.000 0.228 138 L C 2.180 179.030 176.870 -0.034 0.000 1.133 138 L CA 0.255 55.075 54.840 -0.033 0.000 0.880 138 L CB -0.374 41.675 42.059 -0.016 0.000 1.033 138 L HN 0.368 8.598 8.230 -0.000 0.000 0.450 139 K N -0.498 119.855 120.400 -0.079 0.000 2.152 139 K HA -0.185 4.134 4.320 -0.002 0.000 0.206 139 K C 0.619 177.200 176.600 -0.032 0.000 1.048 139 K CA 1.723 57.945 56.287 -0.109 0.000 0.933 139 K CB -0.137 32.144 32.500 -0.365 0.000 0.721 139 K HN 0.193 8.443 8.250 -0.000 0.000 0.447 140 D N 0.771 121.149 120.400 -0.036 0.000 2.363 140 D HA 0.103 4.742 4.640 -0.002 0.000 0.214 140 D C 0.022 176.318 176.300 -0.006 0.000 1.093 140 D CA 0.102 54.094 54.000 -0.012 0.000 0.837 140 D CB 0.246 41.032 40.800 -0.022 0.000 0.948 140 D HN 0.199 8.569 8.370 -0.000 0.000 0.507 141 L N 1.625 122.844 121.223 -0.007 0.000 2.382 141 L HA 0.088 4.426 4.340 -0.002 0.000 0.259 141 L C 1.359 178.232 176.870 0.004 0.000 1.291 141 L CA -0.164 54.672 54.840 -0.007 0.000 1.176 141 L CB 0.241 42.291 42.059 -0.014 0.000 1.373 141 L HN -0.389 7.841 8.230 -0.000 0.000 0.426 142 K N 1.031 121.434 120.400 0.006 0.000 2.439 142 K HA -0.026 4.293 4.320 -0.002 0.000 0.197 142 K C 1.213 177.819 176.600 0.011 0.000 1.041 142 K CA 0.829 57.123 56.287 0.012 0.000 0.970 142 K CB 0.093 32.599 32.500 0.011 0.000 0.773 142 K HN 0.439 8.689 8.250 -0.000 0.000 0.479 143 K N 0.431 120.833 120.400 0.004 0.000 2.374 143 K HA 0.095 4.414 4.320 -0.002 0.000 0.196 143 K C 0.102 176.711 176.600 0.015 0.000 1.023 143 K CA -0.325 55.965 56.287 0.005 0.000 1.103 143 K CB 0.188 32.683 32.500 -0.009 0.000 0.848 143 K HN -0.087 8.163 8.250 -0.000 0.000 0.528 144 L N 2.175 123.407 121.223 0.016 0.000 2.385 144 L HA 0.025 4.363 4.340 -0.002 0.000 0.281 144 L C 0.765 177.668 176.870 0.055 0.000 1.106 144 L CA 0.532 55.387 54.840 0.025 0.000 0.856 144 L CB 0.495 42.557 42.059 0.005 0.000 1.186 144 L HN -0.133 8.097 8.230 -0.000 0.000 0.453 145 K N 1.826 122.291 120.400 0.108 0.000 2.313 145 K HA 0.257 4.576 4.320 -0.002 0.000 0.197 145 K C 0.205 176.882 176.600 0.128 0.000 1.061 145 K CA 0.235 56.601 56.287 0.132 0.000 0.980 145 K CB 0.562 33.178 32.500 0.193 0.000 0.888 145 K HN 0.535 8.785 8.250 -0.000 0.000 0.502 146 S N 0.733 116.522 115.700 0.148 0.000 2.532 146 S HA 0.609 5.077 4.470 -0.002 0.000 0.299 146 S C -1.789 172.829 174.600 0.031 0.000 1.105 146 S CA -0.701 57.556 58.200 0.094 0.000 1.018 146 S CB 0.716 63.916 63.200 -0.000 0.000 1.021 146 S HN 0.089 8.399 8.310 -0.000 0.000 0.483 147 L N 3.937 125.237 121.223 0.128 0.000 2.470 147 L HA 0.734 5.073 4.340 -0.002 0.000 0.268 147 L C -0.955 176.091 176.870 0.294 0.000 0.964 147 L CA 0.060 54.961 54.840 0.101 0.000 0.839 147 L CB 1.959 44.046 42.059 0.047 0.000 1.276 147 L HN 0.574 8.804 8.230 -0.000 0.000 0.403 148 S N 4.980 120.872 115.700 0.319 0.000 2.519 148 S HA 0.760 5.229 4.470 -0.002 0.000 0.309 148 S C -0.426 174.288 174.600 0.191 0.000 1.100 148 S CA -0.402 57.999 58.200 0.335 0.000 1.059 148 S CB 0.773 64.164 63.200 0.317 0.000 1.008 148 S HN 0.711 9.021 8.310 -0.000 0.000 0.478 149 L N 3.911 125.225 121.223 0.152 0.000 3.313 149 L HA 0.342 4.681 4.340 -0.002 0.000 0.320 149 L C 0.036 176.952 176.870 0.076 0.000 1.304 149 L CA -0.179 54.719 54.840 0.096 0.000 0.920 149 L CB 0.585 42.685 42.059 0.069 0.000 1.357 149 L HN 0.596 8.826 8.230 -0.000 0.000 0.602 150 E N -0.408 119.844 120.200 0.086 0.000 2.383 150 E HA 0.145 4.494 4.350 -0.002 0.000 0.264 150 E C -0.305 176.353 176.600 0.096 0.000 1.050 150 E CA -0.414 56.008 56.400 0.037 0.000 0.896 150 E CB 0.354 30.086 29.700 0.053 0.000 0.982 150 E HN 0.228 8.588 8.360 -0.000 0.000 0.424 151 H N 0.997 120.075 119.070 0.014 0.000 2.756 151 H HA -0.141 4.414 4.556 -0.002 0.000 0.315 151 H C 0.126 175.461 175.328 0.012 0.000 1.210 151 H CA 0.414 56.467 56.048 0.009 0.000 1.150 151 H CB -1.208 28.556 29.762 0.003 0.000 1.463 151 H HN 0.490 8.770 8.280 -0.000 0.000 0.427 152 N N 0.041 118.786 118.700 0.075 0.000 2.171 152 N HA 0.130 4.869 4.740 -0.002 0.000 0.212 152 N C 1.221 176.752 175.510 0.036 0.000 1.184 152 N CA 0.678 53.762 53.050 0.056 0.000 0.888 152 N CB 1.171 39.685 38.487 0.045 0.000 1.038 152 N HN 0.639 9.019 8.380 -0.000 0.000 0.517 153 G N 2.166 110.982 108.800 0.027 0.000 2.295 153 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.287 153 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.287 153 G C -0.064 174.843 174.900 0.011 0.000 1.055 153 G CA 0.087 45.197 45.100 0.017 0.000 0.922 153 G HN 0.294 8.584 8.290 -0.000 0.000 0.503 154 I N 0.656 121.229 120.570 0.006 0.000 2.365 154 I HA 0.374 4.543 4.170 -0.002 0.000 0.291 154 I C 1.472 177.590 176.117 0.002 0.000 1.004 154 I CA 0.223 61.526 61.300 0.006 0.000 1.311 154 I CB 1.639 39.644 38.000 0.008 0.000 1.401 154 I HN 0.262 8.472 8.210 -0.000 0.000 0.491 155 S N 1.885 117.588 115.700 0.006 0.000 2.665 155 S HA 0.100 4.569 4.470 -0.002 0.000 0.240 155 S C 0.355 174.960 174.600 0.008 0.000 1.081 155 S CA -0.272 57.932 58.200 0.006 0.000 0.887 155 S CB 0.187 63.392 63.200 0.009 0.000 0.805 155 S HN 0.635 8.945 8.310 -0.000 0.000 0.486 156 D N 2.282 122.688 120.400 0.009 0.000 2.396 156 D HA 0.329 4.967 4.640 -0.002 0.000 0.225 156 D C 0.570 176.878 176.300 0.014 0.000 1.121 156 D CA -0.686 53.321 54.000 0.011 0.000 0.853 156 D CB 0.748 41.555 40.800 0.012 0.000 1.043 156 D HN 0.525 8.895 8.370 -0.000 0.000 0.500 157 I N 0.452 121.030 120.570 0.013 0.000 3.904 157 I HA 0.269 4.438 4.170 -0.002 0.000 0.333 157 I C 0.647 176.778 176.117 0.023 0.000 1.361 157 I CA -0.427 60.883 61.300 0.016 0.000 1.116 157 I CB -0.056 37.950 38.000 0.011 0.000 1.028 157 I HN -0.039 8.171 8.210 -0.000 0.000 0.398 158 N N 2.549 121.265 118.700 0.026 0.000 2.348 158 N HA -0.101 4.638 4.740 -0.002 0.000 0.185 158 N C 1.977 177.528 175.510 0.068 0.000 1.019 158 N CA 1.476 54.546 53.050 0.034 0.000 0.880 158 N CB -0.452 38.054 38.487 0.032 0.000 0.965 158 N HN 0.631 9.011 8.380 -0.000 0.000 0.437 159 G N 0.543 109.388 108.800 0.076 0.000 2.448 159 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.219 159 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.219 159 G C 1.335 176.325 174.900 0.149 0.000 1.127 159 G CA 0.263 45.436 45.100 0.122 0.000 0.766 159 G HN 0.306 8.596 8.290 -0.000 0.000 0.552 160 L N 0.423 121.693 121.223 0.079 0.000 2.450 160 L HA -0.016 4.323 4.340 -0.002 0.000 0.224 160 L C 2.686 179.583 176.870 0.045 0.000 1.149 160 L CA -0.117 54.758 54.840 0.058 0.000 0.816 160 L CB -0.351 41.725 42.059 0.028 0.000 0.932 160 L HN 0.121 8.351 8.230 -0.000 0.000 0.449 161 V N -0.076 119.854 119.914 0.026 0.000 2.568 161 V HA -0.308 3.811 4.120 -0.002 0.000 0.253 161 V C 1.840 177.844 176.094 -0.149 0.000 1.072 161 V CA 1.887 64.138 62.300 -0.081 0.000 1.084 161 V CB -0.533 31.195 31.823 -0.158 0.000 0.676 161 V HN 0.562 8.752 8.190 -0.000 0.000 0.469 162 H N -0.809 118.258 119.070 -0.005 0.000 2.543 162 H HA 0.324 4.879 4.556 -0.002 0.000 0.269 162 H C 0.466 175.791 175.328 -0.005 0.000 1.005 162 H CA 0.344 56.389 56.048 -0.005 0.000 1.146 162 H CB -0.018 29.741 29.762 -0.006 0.000 1.353 162 H HN 0.333 8.613 8.280 -0.000 0.000 0.595 163 L N 1.535 122.802 121.223 0.072 0.000 2.783 163 L HA 0.215 4.553 4.340 -0.002 0.000 0.265 163 L C -1.681 175.200 176.870 0.019 0.000 1.398 163 L CA -1.005 53.863 54.840 0.046 0.000 0.802 163 L CB 1.336 43.421 42.059 0.044 0.000 1.126 163 L HN 0.071 8.301 8.230 -0.000 0.000 0.529 164 P HA -0.194 4.226 4.420 -0.000 0.000 0.226 164 P C 1.231 178.533 177.300 0.003 0.000 1.153 164 P CA 0.931 64.028 63.100 -0.004 0.000 0.777 164 P CB 0.242 31.935 31.700 -0.012 0.000 0.794 165 Q N 0.081 119.889 119.800 0.012 0.000 2.436 165 Q HA -0.031 4.307 4.340 -0.002 0.000 0.209 165 Q C 0.842 176.856 176.000 0.022 0.000 0.965 165 Q CA 0.272 56.086 55.803 0.017 0.000 0.910 165 Q CB -1.145 27.605 28.738 0.022 0.000 0.980 165 Q HN 0.312 8.582 8.270 -0.000 0.000 0.491 166 L N 2.096 123.330 121.223 0.018 0.000 2.540 166 L HA -0.043 4.296 4.340 -0.002 0.000 0.276 166 L C 1.239 178.117 176.870 0.014 0.000 1.212 166 L CA 0.413 55.265 54.840 0.020 0.000 0.893 166 L CB 0.390 42.455 42.059 0.009 0.000 1.138 166 L HN 0.208 8.438 8.230 -0.000 0.000 0.491 167 E N 0.596 120.812 120.200 0.027 0.000 2.431 167 E HA 0.069 4.418 4.350 -0.002 0.000 0.200 167 E C -0.144 176.452 176.600 -0.007 0.000 0.995 167 E CA -0.005 56.408 56.400 0.021 0.000 0.915 167 E CB 0.780 30.512 29.700 0.053 0.000 0.930 167 E HN 0.450 8.810 8.360 -0.000 0.000 0.496 168 S N 0.533 116.220 115.700 -0.022 0.000 2.689 168 S HA 0.462 4.931 4.470 -0.002 0.000 0.274 168 S C -2.078 172.433 174.600 -0.147 0.000 1.176 168 S CA -0.721 57.422 58.200 -0.095 0.000 1.014 168 S CB 0.811 64.019 63.200 0.013 0.000 1.071 168 S HN 0.093 8.403 8.310 -0.000 0.000 0.478 169 L N 5.664 126.680 121.223 -0.345 0.000 2.439 169 L HA 0.692 5.031 4.340 -0.002 0.000 0.270 169 L C -2.235 174.398 176.870 -0.396 0.000 0.972 169 L CA -0.283 54.416 54.840 -0.234 0.000 0.836 169 L CB 1.361 43.358 42.059 -0.104 0.000 1.255 169 L HN 0.709 8.939 8.230 -0.000 0.000 0.404 170 Y N 6.013 126.337 120.300 0.039 0.000 2.338 170 Y HA 0.539 5.088 4.550 -0.002 0.000 0.328 170 Y C 0.234 176.140 175.900 0.009 0.000 0.965 170 Y CA -0.564 57.548 58.100 0.021 0.000 1.208 170 Y CB 1.558 40.024 38.460 0.010 0.000 1.132 170 Y HN 0.478 8.758 8.280 -0.000 0.000 0.469 171 L N 3.071 124.358 121.223 0.107 0.000 3.267 171 L HA 0.387 4.726 4.340 -0.002 0.000 0.289 171 L C 1.092 177.961 176.870 -0.002 0.000 1.260 171 L CA -0.344 54.523 54.840 0.045 0.000 1.034 171 L CB 0.508 42.578 42.059 0.019 0.000 1.413 171 L HN 0.796 9.026 8.230 -0.000 0.000 0.594 172 G N -0.437 108.362 108.800 -0.001 0.000 2.491 172 G HA2 0.091 4.050 3.960 -0.002 0.000 0.242 172 G HA3 0.091 4.050 3.960 -0.002 0.000 0.242 172 G C 0.325 175.099 174.900 -0.210 0.000 1.266 172 G CA -0.032 45.021 45.100 -0.078 0.000 0.844 172 G HN 0.549 8.839 8.290 -0.000 0.000 0.571 173 N N 0.997 119.549 118.700 -0.247 0.000 2.699 173 N HA -0.154 4.585 4.740 -0.002 0.000 0.257 173 N C -0.387 174.976 175.510 -0.244 0.000 1.077 173 N CA 0.760 53.593 53.050 -0.362 0.000 0.702 173 N CB -0.659 37.254 38.487 -0.956 0.000 0.886 173 N HN 0.618 8.998 8.380 -0.000 0.000 0.549 174 N N 0.348 118.970 118.700 -0.130 0.000 3.439 174 N HA 0.336 5.075 4.740 -0.002 0.000 0.343 174 N C -0.008 175.472 175.510 -0.049 0.000 1.597 174 N CA -0.451 52.558 53.050 -0.069 0.000 0.733 174 N CB 0.775 39.234 38.487 -0.046 0.000 1.973 174 N HN 0.085 8.465 8.380 -0.000 0.000 0.646 175 K N 0.813 121.197 120.400 -0.026 0.000 2.861 175 K HA 0.465 4.784 4.320 -0.002 0.000 0.210 175 K C -0.353 176.241 176.600 -0.009 0.000 1.112 175 K CA -0.103 56.175 56.287 -0.014 0.000 1.076 175 K CB 0.117 32.617 32.500 0.001 0.000 0.853 175 K HN 0.359 8.609 8.250 -0.000 0.000 0.463 176 I N 0.513 121.070 120.570 -0.021 0.000 2.529 176 I HA -0.020 4.149 4.170 -0.002 0.000 0.284 176 I C 1.072 177.183 176.117 -0.009 0.000 1.082 176 I CA 0.354 61.646 61.300 -0.013 0.000 1.406 176 I CB 1.419 39.408 38.000 -0.019 0.000 1.405 176 I HN 0.158 8.368 8.210 -0.000 0.000 0.548 177 T N 1.815 116.373 114.554 0.007 0.000 3.138 177 T HA 0.034 4.383 4.350 -0.002 0.000 0.245 177 T C 0.015 174.725 174.700 0.017 0.000 0.982 177 T CA 0.203 62.317 62.100 0.023 0.000 1.134 177 T CB 0.209 69.097 68.868 0.034 0.000 1.032 177 T HN 0.569 8.809 8.240 -0.000 0.000 0.442 178 D N 1.966 122.372 120.400 0.011 0.000 2.349 178 D HA 0.256 4.894 4.640 -0.002 0.000 0.232 178 D C 0.421 176.722 176.300 0.002 0.000 1.071 178 D CA -0.688 53.317 54.000 0.008 0.000 0.832 178 D CB 0.702 41.507 40.800 0.008 0.000 1.086 178 D HN 0.435 8.805 8.370 -0.000 0.000 0.504 179 I N 0.705 121.274 120.570 -0.002 0.000 3.914 179 I HA 0.159 4.328 4.170 -0.002 0.000 0.333 179 I C 1.146 177.258 176.117 -0.009 0.000 1.449 179 I CA -0.499 60.796 61.300 -0.007 0.000 1.135 179 I CB 0.135 38.128 38.000 -0.012 0.000 1.073 179 I HN 0.056 8.266 8.210 -0.000 0.000 0.401 180 T N 1.372 115.922 114.554 -0.007 0.000 2.653 180 T HA -0.281 4.068 4.350 -0.002 0.000 0.267 180 T C 1.874 176.565 174.700 -0.014 0.000 1.037 180 T CA 2.397 64.491 62.100 -0.010 0.000 1.159 180 T CB -0.376 68.487 68.868 -0.008 0.000 0.859 180 T HN 0.413 8.653 8.240 -0.000 0.000 0.449 181 V N 1.179 121.085 119.914 -0.013 0.000 2.759 181 V HA -0.026 4.093 4.120 -0.002 0.000 0.256 181 V C 2.110 178.192 176.094 -0.021 0.000 1.080 181 V CA 1.234 63.523 62.300 -0.019 0.000 1.101 181 V CB -0.549 31.266 31.823 -0.013 0.000 0.698 181 V HN 0.519 8.709 8.190 -0.000 0.000 0.477 182 L N 0.656 121.868 121.223 -0.018 0.000 2.362 182 L HA -0.098 4.240 4.340 -0.002 0.000 0.219 182 L C 2.659 179.515 176.870 -0.024 0.000 1.134 182 L CA 1.388 56.216 54.840 -0.021 0.000 0.807 182 L CB -0.839 41.207 42.059 -0.022 0.000 0.927 182 L HN 0.602 8.832 8.230 -0.000 0.000 0.447 183 S N -0.245 115.441 115.700 -0.024 0.000 2.420 183 S HA -0.240 4.229 4.470 -0.002 0.000 0.237 183 S C 2.152 176.737 174.600 -0.026 0.000 1.023 183 S CA 0.779 58.965 58.200 -0.024 0.000 0.991 183 S CB -0.353 62.833 63.200 -0.023 0.000 0.792 183 S HN 0.375 8.685 8.310 -0.000 0.000 0.488 184 R N 0.309 120.792 120.500 -0.028 0.000 2.148 184 R HA 0.163 4.502 4.340 -0.002 0.000 0.227 184 R C 0.109 176.393 176.300 -0.025 0.000 1.103 184 R CA 0.519 56.601 56.100 -0.031 0.000 0.983 184 R CB -0.767 29.508 30.300 -0.041 0.000 0.874 184 R HN 0.389 8.659 8.270 -0.000 0.000 0.451 185 L N 2.019 123.228 121.223 -0.024 0.000 2.480 185 L HA 0.060 4.399 4.340 -0.002 0.000 0.243 185 L C 1.243 178.101 176.870 -0.021 0.000 1.315 185 L CA 0.546 55.374 54.840 -0.020 0.000 1.231 185 L CB 0.030 42.076 42.059 -0.021 0.000 1.444 185 L HN 0.054 8.284 8.230 -0.000 0.000 0.409 186 T N -4.039 110.504 114.554 -0.018 0.000 3.194 186 T HA 0.034 4.383 4.350 -0.002 0.000 0.251 186 T C 1.365 176.057 174.700 -0.013 0.000 1.132 186 T CA 0.189 62.279 62.100 -0.017 0.000 1.028 186 T CB -0.044 68.814 68.868 -0.016 0.000 0.976 186 T HN 0.154 8.394 8.240 -0.000 0.000 0.535 187 K N 0.737 121.131 120.400 -0.010 0.000 2.367 187 K HA 0.345 4.664 4.320 -0.002 0.000 0.194 187 K C 0.573 177.169 176.600 -0.006 0.000 1.027 187 K CA -0.129 56.156 56.287 -0.003 0.000 1.075 187 K CB 0.121 32.624 32.500 0.004 0.000 0.845 187 K HN 0.440 8.690 8.250 -0.000 0.000 0.529 188 L N 2.875 124.088 121.223 -0.017 0.000 2.455 188 L HA -0.058 4.281 4.340 -0.002 0.000 0.272 188 L C 1.044 177.898 176.870 -0.027 0.000 1.174 188 L CA 0.033 54.856 54.840 -0.028 0.000 0.869 188 L CB 0.418 42.450 42.059 -0.044 0.000 1.130 188 L HN 0.185 8.415 8.230 -0.000 0.000 0.474 189 D N -1.138 119.248 120.400 -0.024 0.000 2.423 189 D HA 0.020 4.659 4.640 -0.002 0.000 0.208 189 D C 0.099 176.380 176.300 -0.032 0.000 1.068 189 D CA 0.035 54.022 54.000 -0.021 0.000 0.860 189 D CB 0.500 41.299 40.800 -0.001 0.000 0.992 189 D HN 0.326 8.696 8.370 -0.000 0.000 0.504 190 T N 0.679 115.200 114.554 -0.055 0.000 2.881 190 T HA 0.535 4.883 4.350 -0.002 0.000 0.291 190 T C -1.517 173.085 174.700 -0.163 0.000 0.990 190 T CA -0.643 61.411 62.100 -0.076 0.000 0.976 190 T CB 1.827 70.657 68.868 -0.063 0.000 0.970 190 T HN 0.054 8.294 8.240 -0.000 0.000 0.438 191 L N 2.917 124.083 121.223 -0.095 0.000 2.438 191 L HA 0.788 5.127 4.340 -0.002 0.000 0.270 191 L C -0.711 176.190 176.870 0.052 0.000 0.972 191 L CA -0.273 54.510 54.840 -0.095 0.000 0.831 191 L CB 2.217 44.236 42.059 -0.066 0.000 1.273 191 L HN 0.591 8.821 8.230 -0.000 0.000 0.405 192 S N 5.376 121.091 115.700 0.025 0.000 2.640 192 S HA 0.580 5.049 4.470 -0.002 0.000 0.320 192 S C -0.071 174.577 174.600 0.079 0.000 1.097 192 S CA -0.455 57.848 58.200 0.171 0.000 1.092 192 S CB 0.445 63.750 63.200 0.176 0.000 0.988 192 S HN 0.714 9.024 8.310 -0.000 0.000 0.470 193 L N 4.214 125.478 121.223 0.068 0.000 3.014 193 L HA 0.336 4.675 4.340 -0.002 0.000 0.263 193 L C 0.904 177.768 176.870 -0.011 0.000 1.207 193 L CA -0.319 54.529 54.840 0.012 0.000 1.017 193 L CB 0.106 42.162 42.059 -0.005 0.000 1.360 193 L HN 0.722 8.952 8.230 -0.000 0.000 0.560 194 E N -0.656 119.549 120.200 0.009 0.000 2.404 194 E HA -0.063 4.286 4.350 -0.002 0.000 0.261 194 E C -0.176 176.370 176.600 -0.089 0.000 1.074 194 E CA -0.388 55.989 56.400 -0.037 0.000 0.917 194 E CB 0.456 30.153 29.700 -0.005 0.000 0.965 194 E HN 0.043 8.403 8.360 -0.000 0.000 0.433 195 D N 0.923 121.247 120.400 -0.127 0.000 2.705 195 D HA -0.160 4.479 4.640 -0.002 0.000 0.240 195 D C -1.114 175.105 176.300 -0.135 0.000 1.137 195 D CA 0.683 54.602 54.000 -0.136 0.000 0.677 195 D CB -1.070 39.658 40.800 -0.120 0.000 1.049 195 D HN 0.586 8.956 8.370 -0.000 0.000 0.427 196 N N -0.343 118.265 118.700 -0.153 0.000 3.369 196 N HA 0.380 5.119 4.740 -0.002 0.000 0.362 196 N C 0.024 175.394 175.510 -0.233 0.000 1.523 196 N CA -0.364 52.600 53.050 -0.143 0.000 0.684 196 N CB 0.544 38.970 38.487 -0.101 0.000 1.796 196 N HN 0.109 8.489 8.380 -0.000 0.000 0.641 197 Q N 0.721 120.407 119.800 -0.190 0.000 2.158 197 Q HA 0.443 4.782 4.340 -0.002 0.000 0.306 197 Q C -0.693 175.268 176.000 -0.065 0.000 0.878 197 Q CA -0.075 55.576 55.803 -0.252 0.000 1.136 197 Q CB 0.661 29.424 28.738 0.042 0.000 1.253 197 Q HN 0.419 8.689 8.270 -0.000 0.000 0.441 198 I N 1.083 121.586 120.570 -0.113 0.000 2.395 198 I HA 0.040 4.209 4.170 -0.002 0.000 0.289 198 I C 1.175 177.316 176.117 0.040 0.000 1.023 198 I CA 0.159 61.450 61.300 -0.014 0.000 1.350 198 I CB 1.393 39.374 38.000 -0.031 0.000 1.409 198 I HN 0.198 8.408 8.210 -0.000 0.000 0.507 199 S N 1.734 117.486 115.700 0.086 0.000 2.554 199 S HA 0.110 4.579 4.470 -0.002 0.000 0.227 199 S C 0.217 174.851 174.600 0.056 0.000 1.050 199 S CA -0.345 57.917 58.200 0.103 0.000 0.927 199 S CB 0.201 63.474 63.200 0.121 0.000 0.859 199 S HN 0.655 8.965 8.310 -0.000 0.000 0.494 200 D N 2.251 122.671 120.400 0.034 0.000 2.414 200 D HA 0.311 4.949 4.640 -0.002 0.000 0.232 200 D C 0.716 177.017 176.300 0.001 0.000 1.070 200 D CA -0.784 53.225 54.000 0.016 0.000 0.839 200 D CB 0.985 41.792 40.800 0.013 0.000 1.079 200 D HN 0.437 8.807 8.370 -0.000 0.000 0.521 201 I N 1.246 121.810 120.570 -0.009 0.000 3.928 201 I HA 0.097 4.265 4.170 -0.002 0.000 0.335 201 I C 0.718 176.818 176.117 -0.028 0.000 1.325 201 I CA -0.278 61.008 61.300 -0.023 0.000 1.107 201 I CB 0.305 38.282 38.000 -0.037 0.000 1.014 201 I HN 0.083 8.293 8.210 -0.000 0.000 0.400 202 V N 2.729 122.630 119.914 -0.021 0.000 2.392 202 V HA -0.114 4.005 4.120 -0.002 0.000 0.249 202 V C -0.081 176.000 176.094 -0.023 0.000 1.059 202 V CA 2.097 64.383 62.300 -0.023 0.000 1.051 202 V CB -1.922 29.891 31.823 -0.017 0.000 0.658 202 V HN 0.424 8.614 8.190 -0.000 0.000 0.455 203 P HA -0.097 4.323 4.420 -0.000 0.000 0.223 203 P C 1.551 178.836 177.300 -0.025 0.000 1.144 203 P CA 1.151 64.239 63.100 -0.020 0.000 0.783 203 P CB -0.099 31.590 31.700 -0.017 0.000 0.771 204 L N -1.711 119.495 121.223 -0.029 0.000 2.492 204 L HA 0.060 4.398 4.340 -0.002 0.000 0.223 204 L C 2.329 179.177 176.870 -0.036 0.000 1.132 204 L CA 0.503 55.323 54.840 -0.035 0.000 0.850 204 L CB -0.889 41.145 42.059 -0.041 0.000 0.966 204 L HN -0.048 8.182 8.230 -0.000 0.000 0.454 205 A N 0.804 123.604 122.820 -0.034 0.000 1.948 205 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 205 A C 2.226 179.791 177.584 -0.031 0.000 1.177 205 A CA 1.975 53.992 52.037 -0.033 0.000 0.636 205 A CB -0.885 18.097 19.000 -0.030 0.000 0.815 205 A HN 0.445 8.595 8.150 -0.000 0.000 0.449 206 G N -1.310 107.474 108.800 -0.027 0.000 3.042 206 G HA2 0.344 4.303 3.960 -0.002 0.000 0.212 206 G HA3 0.344 4.303 3.960 -0.002 0.000 0.212 206 G C 0.578 175.462 174.900 -0.025 0.000 1.166 206 G CA -0.268 44.818 45.100 -0.025 0.000 0.767 206 G HN 0.384 8.674 8.290 -0.000 0.000 0.546 207 L N 2.957 124.163 121.223 -0.029 0.000 2.533 207 L HA 0.126 4.464 4.340 -0.002 0.000 0.239 207 L C 1.869 178.720 176.870 -0.032 0.000 1.376 207 L CA -0.031 54.791 54.840 -0.030 0.000 1.240 207 L CB -0.300 41.738 42.059 -0.035 0.000 1.487 207 L HN 0.204 8.434 8.230 -0.000 0.000 0.419 208 T N -3.951 110.587 114.554 -0.027 0.000 3.118 208 T HA -0.119 4.230 4.350 -0.002 0.000 0.260 208 T C 1.608 176.294 174.700 -0.023 0.000 1.139 208 T CA 0.276 62.360 62.100 -0.026 0.000 1.085 208 T CB 0.083 68.938 68.868 -0.022 0.000 0.934 208 T HN 0.366 8.606 8.240 -0.000 0.000 0.518 209 K N 0.535 120.922 120.400 -0.022 0.000 2.418 209 K HA 0.221 4.540 4.320 -0.002 0.000 0.195 209 K C 0.444 177.030 176.600 -0.023 0.000 1.035 209 K CA -0.154 56.123 56.287 -0.017 0.000 1.003 209 K CB -0.318 32.174 32.500 -0.012 0.000 0.793 209 K HN 0.385 8.635 8.250 -0.000 0.000 0.494 210 L N 2.024 123.227 121.223 -0.033 0.000 2.540 210 L HA -0.074 4.265 4.340 -0.002 0.000 0.276 210 L C 1.013 177.856 176.870 -0.045 0.000 1.212 210 L CA 0.408 55.221 54.840 -0.044 0.000 0.893 210 L CB 0.747 42.771 42.059 -0.058 0.000 1.138 210 L HN 0.322 8.552 8.230 -0.000 0.000 0.491 211 Q N 1.472 121.245 119.800 -0.044 0.000 2.353 211 Q HA 0.203 4.541 4.340 -0.002 0.000 0.240 211 Q C -0.499 175.459 176.000 -0.070 0.000 0.868 211 Q CA 0.191 55.969 55.803 -0.042 0.000 0.944 211 Q CB 0.871 29.599 28.738 -0.016 0.000 1.104 211 Q HN 0.606 8.876 8.270 -0.000 0.000 0.531 212 N N 0.842 119.485 118.700 -0.095 0.000 2.461 212 N HA 0.351 5.090 4.740 -0.002 0.000 0.284 212 N C -1.884 173.426 175.510 -0.333 0.000 1.049 212 N CA -0.327 52.601 53.050 -0.203 0.000 0.889 212 N CB 2.541 41.015 38.487 -0.023 0.000 1.365 212 N HN -0.042 8.338 8.380 -0.000 0.000 0.499 213 L N 2.925 123.817 121.223 -0.551 0.000 2.404 213 L HA 0.486 4.825 4.340 -0.002 0.000 0.272 213 L C -1.821 174.723 176.870 -0.543 0.000 0.980 213 L CA -0.623 53.977 54.840 -0.400 0.000 0.836 213 L CB 0.863 42.799 42.059 -0.205 0.000 1.238 213 L HN 0.377 8.607 8.230 -0.000 0.000 0.408 214 Y N 5.996 126.299 120.300 0.004 0.000 2.356 214 Y HA 0.533 5.081 4.550 -0.002 0.000 0.334 214 Y C 0.406 176.301 175.900 -0.008 0.000 0.958 214 Y CA -0.567 57.547 58.100 0.024 0.000 1.196 214 Y CB 1.386 39.874 38.460 0.047 0.000 1.137 214 Y HN 0.466 8.746 8.280 -0.000 0.000 0.485 215 L N 2.089 123.362 121.223 0.084 0.000 3.298 215 L HA 0.193 4.532 4.340 -0.002 0.000 0.296 215 L C 0.358 177.204 176.870 -0.040 0.000 1.237 215 L CA -0.224 54.624 54.840 0.014 0.000 1.038 215 L CB 0.386 42.441 42.059 -0.006 0.000 1.423 215 L HN 0.553 8.783 8.230 -0.000 0.000 0.605 216 S N -0.080 115.566 115.700 -0.091 0.000 2.584 216 S HA 0.242 4.711 4.470 -0.002 0.000 0.270 216 S C 0.406 174.801 174.600 -0.341 0.000 1.346 216 S CA -0.473 57.513 58.200 -0.356 0.000 1.018 216 S CB 0.602 63.220 63.200 -0.970 0.000 0.899 216 S HN 0.326 8.636 8.310 -0.000 0.000 0.542 217 K N 0.570 120.739 120.400 -0.385 0.000 3.393 217 K HA -0.148 4.171 4.320 -0.002 0.000 0.272 217 K C -0.370 176.098 176.600 -0.219 0.000 1.004 217 K CA 0.599 56.726 56.287 -0.266 0.000 0.764 217 K CB -1.804 30.550 32.500 -0.244 0.000 1.373 217 K HN 0.641 8.891 8.250 -0.000 0.000 0.458 218 N N -0.529 118.053 118.700 -0.196 0.000 3.379 218 N HA 0.325 5.064 4.740 -0.002 0.000 0.350 218 N C -0.292 175.076 175.510 -0.237 0.000 1.553 218 N CA -0.738 52.146 53.050 -0.277 0.000 0.712 218 N CB 0.770 39.161 38.487 -0.161 0.000 1.880 218 N HN 0.196 8.576 8.380 -0.000 0.000 0.648 219 H N 0.473 119.549 119.070 0.011 0.000 2.490 219 H HA 0.422 4.977 4.556 -0.002 0.000 0.285 219 H C -0.243 175.123 175.328 0.064 0.000 1.127 219 H CA -0.085 55.979 56.048 0.027 0.000 0.993 219 H CB 0.065 29.833 29.762 0.011 0.000 1.653 219 H HN 0.277 8.557 8.280 -0.000 0.000 0.557 220 I N 1.903 122.582 120.570 0.181 0.000 2.352 220 I HA 0.009 4.178 4.170 -0.002 0.000 0.290 220 I C 1.032 177.335 176.117 0.310 0.000 1.036 220 I CA 0.078 61.491 61.300 0.188 0.000 1.336 220 I CB 1.115 39.200 38.000 0.141 0.000 1.407 220 I HN 0.130 8.340 8.210 -0.000 0.000 0.497 221 S N 2.261 118.098 115.700 0.228 0.000 2.666 221 S HA 0.170 4.639 4.470 -0.002 0.000 0.239 221 S C -0.076 174.632 174.600 0.180 0.000 1.031 221 S CA -0.439 57.898 58.200 0.227 0.000 1.015 221 S CB 0.219 63.469 63.200 0.085 0.000 0.981 221 S HN 0.650 8.960 8.310 -0.000 0.000 0.547 222 D N 1.079 121.538 120.400 0.098 0.000 2.479 222 D HA 0.334 4.972 4.640 -0.002 0.000 0.246 222 D C 0.339 176.584 176.300 -0.092 0.000 1.336 222 D CA -0.422 53.583 54.000 0.007 0.000 0.967 222 D CB 1.075 41.880 40.800 0.009 0.000 1.275 222 D HN 0.180 8.550 8.370 -0.000 0.000 0.577 223 L N 3.112 124.210 121.223 -0.208 0.000 2.591 223 L HA 0.191 4.530 4.340 -0.002 0.000 0.228 223 L C 2.231 179.004 176.870 -0.161 0.000 1.133 223 L CA -0.024 54.646 54.840 -0.282 0.000 0.880 223 L CB 0.109 41.864 42.059 -0.507 0.000 1.033 223 L HN 0.215 8.445 8.230 -0.000 0.000 0.450 224 R N 0.708 121.146 120.500 -0.103 0.000 2.105 224 R HA -0.152 4.187 4.340 -0.002 0.000 0.239 224 R C 2.243 178.506 176.300 -0.062 0.000 1.135 224 R CA 1.512 57.570 56.100 -0.070 0.000 0.967 224 R CB -0.293 29.981 30.300 -0.043 0.000 0.861 224 R HN 0.321 8.591 8.270 -0.000 0.000 0.442 225 A N 0.673 123.457 122.820 -0.060 0.000 2.206 225 A HA 0.018 4.337 4.320 -0.002 0.000 0.211 225 A C 1.775 179.325 177.584 -0.057 0.000 1.158 225 A CA 0.588 52.595 52.037 -0.049 0.000 0.761 225 A CB -0.180 18.796 19.000 -0.040 0.000 0.801 225 A HN 0.177 8.327 8.150 -0.000 0.000 0.473 226 L N -1.090 120.088 121.223 -0.075 0.000 2.599 226 L HA 0.068 4.406 4.340 -0.002 0.000 0.230 226 L C 2.493 179.322 176.870 -0.069 0.000 1.141 226 L CA 0.416 55.210 54.840 -0.077 0.000 0.877 226 L CB -0.313 41.685 42.059 -0.101 0.000 1.009 226 L HN 0.380 8.610 8.230 -0.000 0.000 0.447 227 A N 0.589 123.373 122.820 -0.061 0.000 2.067 227 A HA -0.024 4.294 4.320 -0.002 0.000 0.219 227 A C 2.230 179.790 177.584 -0.041 0.000 1.158 227 A CA 1.401 53.407 52.037 -0.051 0.000 0.661 227 A CB -0.596 18.378 19.000 -0.045 0.000 0.801 227 A HN 0.424 8.574 8.150 -0.000 0.000 0.452 228 G N -0.863 107.914 108.800 -0.039 0.000 2.985 228 G HA2 0.275 4.234 3.960 -0.002 0.000 0.209 228 G HA3 0.275 4.234 3.960 -0.002 0.000 0.209 228 G C 0.621 175.501 174.900 -0.033 0.000 1.165 228 G CA -0.199 44.882 45.100 -0.032 0.000 0.776 228 G HN 0.405 8.695 8.290 -0.000 0.000 0.541 229 L N 1.004 122.202 121.223 -0.041 0.000 2.437 229 L HA 0.225 4.563 4.340 -0.002 0.000 0.243 229 L C 1.122 177.968 176.870 -0.039 0.000 1.346 229 L CA -0.095 54.720 54.840 -0.042 0.000 1.233 229 L CB 0.241 42.269 42.059 -0.053 0.000 1.436 229 L HN 0.093 8.323 8.230 -0.000 0.000 0.416 230 K N 0.223 120.604 120.400 -0.031 0.000 2.458 230 K HA 0.075 4.393 4.320 -0.002 0.000 0.194 230 K C 0.774 177.360 176.600 -0.024 0.000 1.024 230 K CA 0.004 56.275 56.287 -0.027 0.000 1.108 230 K CB 0.205 32.692 32.500 -0.021 0.000 0.846 230 K HN 0.412 8.662 8.250 -0.000 0.000 0.518 231 N N 0.778 119.462 118.700 -0.026 0.000 2.230 231 N HA 0.071 4.809 4.740 -0.002 0.000 0.202 231 N C -0.109 175.384 175.510 -0.029 0.000 1.119 231 N CA 0.113 53.150 53.050 -0.023 0.000 0.851 231 N CB 0.431 38.906 38.487 -0.019 0.000 0.990 231 N HN 0.125 8.505 8.380 -0.000 0.000 0.497 232 L N 0.941 122.141 121.223 -0.039 0.000 2.455 232 L HA 0.049 4.388 4.340 -0.002 0.000 0.272 232 L C 1.152 177.997 176.870 -0.041 0.000 1.174 232 L CA 0.166 54.975 54.840 -0.052 0.000 0.869 232 L CB 0.767 42.786 42.059 -0.067 0.000 1.130 232 L HN -0.053 8.177 8.230 -0.000 0.000 0.474 233 D N 1.552 121.927 120.400 -0.042 0.000 2.338 233 D HA 0.100 4.739 4.640 -0.002 0.000 0.224 233 D C -0.034 176.246 176.300 -0.034 0.000 0.967 233 D CA 0.961 54.945 54.000 -0.026 0.000 0.896 233 D CB 0.940 41.734 40.800 -0.011 0.000 1.028 233 D HN 0.180 8.550 8.370 -0.000 0.000 0.493 234 V N 1.881 121.752 119.914 -0.071 0.000 2.588 234 V HA 0.439 4.558 4.120 -0.002 0.000 0.304 234 V C -0.909 175.064 176.094 -0.202 0.000 1.042 234 V CA -0.794 61.446 62.300 -0.099 0.000 0.877 234 V CB 2.593 34.372 31.823 -0.073 0.000 0.996 234 V HN -0.023 8.167 8.190 -0.000 0.000 0.425 235 L N 4.402 125.541 121.223 -0.140 0.000 2.470 235 L HA 0.668 5.007 4.340 -0.002 0.000 0.268 235 L C -0.794 176.063 176.870 -0.022 0.000 0.964 235 L CA 0.046 54.802 54.840 -0.141 0.000 0.839 235 L CB 2.262 44.270 42.059 -0.086 0.000 1.276 235 L HN 0.725 8.955 8.230 -0.000 0.000 0.403 236 E N 5.384 125.596 120.200 0.020 0.000 2.210 236 E HA 0.512 4.860 4.350 -0.002 0.000 0.266 236 E C -0.511 176.204 176.600 0.191 0.000 0.883 236 E CA -0.365 56.164 56.400 0.216 0.000 0.761 236 E CB 2.125 32.061 29.700 0.393 0.000 1.156 236 E HN 0.669 9.029 8.360 -0.000 0.000 0.412 237 L N 3.286 124.673 121.223 0.272 0.000 3.410 237 L HA 0.250 4.589 4.340 -0.002 0.000 0.309 237 L C -0.020 177.039 176.870 0.315 0.000 1.254 237 L CA -0.404 54.578 54.840 0.236 0.000 1.048 237 L CB 0.162 42.361 42.059 0.234 0.000 1.442 237 L HN 0.480 8.710 8.230 -0.000 0.000 0.615 238 F N -1.387 118.693 119.950 0.216 0.000 2.440 238 F HA 0.414 4.940 4.527 -0.002 0.000 0.323 238 F C 1.310 177.204 175.800 0.156 0.000 1.192 238 F CA -0.373 57.780 58.000 0.254 0.000 1.252 238 F CB 0.337 39.489 39.000 0.253 0.000 1.214 238 F HN -0.006 8.294 8.300 -0.000 0.000 0.578 239 S N 0.802 116.602 115.700 0.167 0.000 3.631 239 S HA -0.201 4.267 4.470 -0.002 0.000 0.366 239 S C -0.374 174.088 174.600 -0.231 0.000 0.993 239 S CA 0.317 58.439 58.200 -0.130 0.000 1.167 239 S CB -1.635 61.558 63.200 -0.011 0.000 0.909 239 S HN 0.693 9.003 8.310 -0.000 0.000 0.478 240 Q N 1.222 120.877 119.800 -0.241 0.000 2.327 240 Q HA 0.312 4.651 4.340 -0.002 0.000 0.254 240 Q C 0.395 176.328 176.000 -0.113 0.000 0.952 240 Q CA 0.174 55.916 55.803 -0.102 0.000 0.884 240 Q CB 0.510 29.297 28.738 0.080 0.000 1.224 240 Q HN 0.368 8.638 8.270 -0.000 0.000 0.422 241 E N 1.290 121.499 120.200 0.015 0.000 2.114 241 E HA 0.229 4.578 4.350 -0.002 0.000 0.266 241 E C -1.031 175.660 176.600 0.151 0.000 0.896 241 E CA -0.332 56.101 56.400 0.054 0.000 0.750 241 E CB 1.711 31.464 29.700 0.089 0.000 1.121 241 E HN 0.512 8.872 8.360 -0.000 0.000 0.413 242 C N 4.370 123.692 119.300 0.038 0.000 2.382 242 C HA 0.643 5.101 4.460 -0.002 0.000 0.327 242 C C -0.856 174.086 174.990 -0.080 0.000 1.250 242 C CA -0.681 58.337 59.018 -0.000 0.000 1.707 242 C CB 0.122 27.885 27.740 0.039 0.000 2.272 242 C HN 0.625 8.855 8.230 -0.000 0.000 0.506 243 L N 6.760 127.910 121.223 -0.123 0.000 2.372 243 L HA 0.537 4.876 4.340 -0.002 0.000 0.273 243 L C -0.253 176.567 176.870 -0.084 0.000 0.989 243 L CA 0.145 54.915 54.840 -0.117 0.000 0.841 243 L CB 0.856 42.823 42.059 -0.153 0.000 1.225 243 L HN 0.711 8.941 8.230 -0.000 0.000 0.414 244 N N 2.541 121.209 118.700 -0.053 0.000 2.354 244 N HA 0.159 4.898 4.740 -0.002 0.000 0.246 244 N C -0.261 175.232 175.510 -0.030 0.000 1.285 244 N CA -0.311 52.725 53.050 -0.023 0.000 0.925 244 N CB 0.513 39.005 38.487 0.008 0.000 1.174 244 N HN 0.385 8.765 8.380 -0.000 0.000 0.478 245 K N 1.607 121.998 120.400 -0.015 0.000 2.382 245 K HA 0.213 4.532 4.320 -0.002 0.000 0.275 245 K C -2.072 174.520 176.600 -0.014 0.000 1.009 245 K CA -1.019 55.259 56.287 -0.015 0.000 0.970 245 K CB -0.004 32.493 32.500 -0.005 0.000 0.934 245 K HN 0.393 8.643 8.250 -0.000 0.000 0.479 246 P HA 0.116 4.536 4.420 -0.000 0.000 0.271 246 P C -0.451 176.844 177.300 -0.009 0.000 1.218 246 P CA -0.078 63.010 63.100 -0.020 0.000 0.780 246 P CB 0.436 32.124 31.700 -0.020 0.000 0.901 247 I N -1.674 118.890 120.570 -0.010 0.000 3.279 247 I HA 0.523 4.692 4.170 -0.002 0.000 0.315 247 I C -0.768 175.353 176.117 0.007 0.000 1.187 247 I CA -1.489 59.813 61.300 0.003 0.000 0.953 247 I CB 1.912 39.920 38.000 0.013 0.000 1.279 247 I HN -0.044 8.166 8.210 -0.000 0.000 0.465 248 N N 2.158 120.871 118.700 0.023 0.000 2.497 248 N HA 0.120 4.858 4.740 -0.002 0.000 0.271 248 N C -0.396 175.161 175.510 0.078 0.000 1.142 248 N CA -0.030 53.046 53.050 0.043 0.000 0.965 248 N CB 0.025 38.534 38.487 0.036 0.000 1.077 248 N HN 0.542 8.922 8.380 -0.000 0.000 0.462 249 H N 2.452 121.500 119.070 -0.037 0.000 3.157 249 H HA -0.005 4.550 4.556 -0.002 0.000 0.299 249 H C -0.387 174.921 175.328 -0.032 0.000 0.961 249 H CA 0.962 56.983 56.048 -0.046 0.000 1.428 249 H CB 0.126 29.858 29.762 -0.051 0.000 1.459 249 H HN 0.460 8.740 8.280 -0.000 0.000 0.566 250 Q N 2.744 122.739 119.800 0.326 0.000 2.496 250 Q HA 0.285 4.624 4.340 -0.002 0.000 0.286 250 Q C 1.015 177.132 176.000 0.196 0.000 1.103 250 Q CA -0.957 54.979 55.803 0.222 0.000 0.813 250 Q CB 1.835 30.636 28.738 0.106 0.000 1.444 250 Q HN 0.606 8.876 8.270 -0.000 0.000 0.443 251 S N 0.424 116.174 115.700 0.083 0.000 2.371 251 S HA -0.000 4.468 4.470 -0.002 0.000 0.224 251 S C 0.445 175.008 174.600 -0.062 0.000 1.029 251 S CA 0.816 58.984 58.200 -0.053 0.000 0.978 251 S CB 0.046 63.197 63.200 -0.081 0.000 0.833 251 S HN 0.442 8.752 8.310 -0.000 0.000 0.466 252 N N 1.955 120.687 118.700 0.053 0.000 2.817 252 N HA 0.339 5.077 4.740 -0.002 0.000 0.234 252 N C -1.298 174.288 175.510 0.127 0.000 1.066 252 N CA -0.168 52.953 53.050 0.117 0.000 0.926 252 N CB 1.095 39.656 38.487 0.123 0.000 1.176 252 N HN 0.172 8.552 8.380 -0.000 0.000 0.506 253 L N 2.347 123.673 121.223 0.171 0.000 2.312 253 L HA 0.416 4.755 4.340 -0.002 0.000 0.281 253 L C -0.593 176.456 176.870 0.298 0.000 1.070 253 L CA -0.332 54.635 54.840 0.212 0.000 0.805 253 L CB 1.268 43.443 42.059 0.193 0.000 1.174 253 L HN 0.097 8.327 8.230 -0.000 0.000 0.434 254 V N 6.124 126.180 119.914 0.236 0.000 2.439 254 V HA 0.325 4.444 4.120 -0.002 0.000 0.277 254 V C -0.536 175.685 176.094 0.211 0.000 1.008 254 V CA -0.661 61.755 62.300 0.193 0.000 0.846 254 V CB 1.482 33.364 31.823 0.098 0.000 1.031 254 V HN 0.493 8.683 8.190 -0.000 0.000 0.441 255 V N 7.150 127.260 119.914 0.326 0.000 2.407 255 V HA 0.418 4.536 4.120 -0.002 0.000 0.278 255 V C -1.991 174.220 176.094 0.195 0.000 1.037 255 V CA -1.921 60.557 62.300 0.298 0.000 0.900 255 V CB 1.961 34.066 31.823 0.471 0.000 0.983 255 V HN 0.625 8.815 8.190 -0.000 0.000 0.459 256 P HA 0.098 4.518 4.420 -0.000 0.000 0.276 256 P C -0.513 176.871 177.300 0.139 0.000 1.235 256 P CA -0.344 62.819 63.100 0.104 0.000 0.772 256 P CB 0.549 32.296 31.700 0.078 0.000 0.871 257 N N 2.522 121.295 118.700 0.121 0.000 2.452 257 N HA 0.016 4.754 4.740 -0.002 0.000 0.266 257 N C 0.795 176.374 175.510 0.115 0.000 1.209 257 N CA 0.382 53.511 53.050 0.132 0.000 0.929 257 N CB 0.080 38.635 38.487 0.113 0.000 1.063 257 N HN 0.360 8.740 8.380 -0.000 0.000 0.472 258 T N -0.583 114.044 114.554 0.122 0.000 3.084 258 T HA 0.189 4.538 4.350 -0.002 0.000 0.270 258 T C 0.292 175.003 174.700 0.018 0.000 1.008 258 T CA -0.381 61.760 62.100 0.068 0.000 0.900 258 T CB -0.288 68.624 68.868 0.073 0.000 1.084 258 T HN 0.072 8.312 8.240 -0.000 0.000 0.538 259 V N 3.130 123.021 119.914 -0.038 0.000 2.488 259 V HA 0.408 4.527 4.120 -0.002 0.000 0.277 259 V C -0.141 175.923 176.094 -0.050 0.000 1.046 259 V CA -0.481 61.717 62.300 -0.170 0.000 0.986 259 V CB 0.567 32.011 31.823 -0.631 0.000 0.989 259 V HN 0.307 8.497 8.190 -0.000 0.000 0.475 260 K N 3.650 124.083 120.400 0.054 0.000 2.345 260 K HA 0.440 4.759 4.320 -0.002 0.000 0.255 260 K C -0.241 176.419 176.600 0.100 0.000 0.934 260 K CA -0.815 55.510 56.287 0.063 0.000 0.801 260 K CB 1.819 34.330 32.500 0.020 0.000 1.137 260 K HN 0.538 8.788 8.250 -0.000 0.000 0.424 261 N N 0.589 119.337 118.700 0.080 0.000 2.294 261 N HA 0.021 4.760 4.740 -0.002 0.000 0.248 261 N C 1.016 176.487 175.510 -0.066 0.000 1.300 261 N CA 0.406 53.467 53.050 0.018 0.000 0.925 261 N CB 0.748 39.268 38.487 0.055 0.000 1.188 261 N HN 0.596 8.976 8.380 -0.000 0.000 0.512 262 T N -1.904 112.592 114.554 -0.096 0.000 2.803 262 T HA -0.197 4.151 4.350 -0.002 0.000 0.269 262 T C 0.905 175.574 174.700 -0.052 0.000 1.052 262 T CA 1.536 63.581 62.100 -0.092 0.000 1.136 262 T CB -0.307 68.508 68.868 -0.089 0.000 0.864 262 T HN 0.672 8.912 8.240 -0.000 0.000 0.467 263 D N 1.071 121.452 120.400 -0.031 0.000 2.340 263 D HA 0.213 4.852 4.640 -0.002 0.000 0.220 263 D C 1.624 177.917 176.300 -0.011 0.000 1.039 263 D CA 0.561 54.550 54.000 -0.018 0.000 0.866 263 D CB -0.736 40.058 40.800 -0.009 0.000 0.913 263 D HN 0.631 9.001 8.370 -0.000 0.000 0.523 264 G N 0.273 109.066 108.800 -0.012 0.000 2.176 264 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.253 264 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.253 264 G C 0.328 175.233 174.900 0.009 0.000 0.979 264 G CA 0.370 45.468 45.100 -0.004 0.000 0.641 264 G HN 0.746 9.036 8.290 -0.000 0.000 0.530 265 S N 0.035 115.744 115.700 0.015 0.000 2.601 265 S HA 0.731 5.199 4.470 -0.002 0.000 0.271 265 S C 0.524 175.145 174.600 0.035 0.000 1.305 265 S CA -0.911 57.304 58.200 0.025 0.000 1.022 265 S CB 1.882 65.098 63.200 0.026 0.000 0.940 265 S HN 0.560 8.870 8.310 -0.000 0.000 0.525 266 L N 2.117 123.366 121.223 0.044 0.000 2.453 266 L HA 0.199 4.537 4.340 -0.002 0.000 0.272 266 L C -0.298 176.592 176.870 0.033 0.000 1.182 266 L CA -0.698 54.170 54.840 0.046 0.000 0.858 266 L CB 0.518 42.631 42.059 0.091 0.000 1.120 266 L HN 0.505 8.735 8.230 -0.000 0.000 0.474 267 V N 2.851 122.758 119.914 -0.012 0.000 2.439 267 V HA 0.029 4.148 4.120 -0.002 0.000 0.271 267 V C 0.707 176.746 176.094 -0.091 0.000 1.040 267 V CA -0.289 61.992 62.300 -0.031 0.000 1.002 267 V CB 0.778 32.541 31.823 -0.100 0.000 1.000 267 V HN 0.746 8.936 8.190 -0.000 0.000 0.477 268 T N 8.953 123.460 114.554 -0.079 0.000 2.888 268 T HA 0.171 4.520 4.350 -0.002 0.000 0.301 268 T C -2.158 172.391 174.700 -0.251 0.000 1.001 268 T CA -0.405 61.540 62.100 -0.258 0.000 1.147 268 T CB 0.673 69.492 68.868 -0.082 0.000 0.931 268 T HN 0.502 8.742 8.240 -0.000 0.000 0.541 269 P HA 0.180 4.600 4.420 -0.000 0.000 0.268 269 P C 0.495 177.749 177.300 -0.077 0.000 1.205 269 P CA -0.050 62.932 63.100 -0.196 0.000 0.771 269 P CB 0.819 32.221 31.700 -0.497 0.000 0.858 270 E N 2.090 122.335 120.200 0.076 0.000 2.206 270 E HA 0.160 4.508 4.350 -0.002 0.000 0.195 270 E C 0.076 176.712 176.600 0.061 0.000 0.935 270 E CA 0.400 56.844 56.400 0.073 0.000 0.875 270 E CB 0.284 30.056 29.700 0.121 0.000 0.841 270 E HN 0.374 8.734 8.360 -0.000 0.000 0.477 271 I N 1.760 122.389 120.570 0.098 0.000 2.466 271 I HA 0.367 4.536 4.170 -0.002 0.000 0.289 271 I C -0.807 175.405 176.117 0.158 0.000 1.026 271 I CA -0.714 60.644 61.300 0.097 0.000 1.078 271 I CB 2.117 40.169 38.000 0.087 0.000 1.249 271 I HN -0.042 8.168 8.210 -0.000 0.000 0.429 272 I N 4.467 125.116 120.570 0.133 0.000 2.433 272 I HA 0.282 4.451 4.170 -0.002 0.000 0.292 272 I C 0.674 176.942 176.117 0.250 0.000 1.001 272 I CA -0.433 60.992 61.300 0.208 0.000 1.119 272 I CB 2.202 40.208 38.000 0.010 0.000 1.289 272 I HN 0.695 8.905 8.210 -0.000 0.000 0.438 273 S N 3.517 119.448 115.700 0.385 0.000 2.606 273 S HA 0.075 4.544 4.470 -0.002 0.000 0.257 273 S C 0.361 175.196 174.600 0.393 0.000 1.327 273 S CA -0.354 58.035 58.200 0.315 0.000 0.984 273 S CB 0.504 63.850 63.200 0.244 0.000 0.941 273 S HN 0.792 9.102 8.310 -0.000 0.000 0.576 274 D N 0.258 120.803 120.400 0.243 0.000 2.737 274 D HA -0.177 4.461 4.640 -0.002 0.000 0.233 274 D C -0.070 176.402 176.300 0.287 0.000 1.155 274 D CA 1.512 55.651 54.000 0.231 0.000 0.667 274 D CB -1.613 39.292 40.800 0.176 0.000 1.060 274 D HN 0.850 9.220 8.370 -0.000 0.000 0.427 275 D N -1.062 119.458 120.400 0.201 0.000 2.689 275 D HA -0.155 4.484 4.640 -0.002 0.000 0.237 275 D C 0.681 177.043 176.300 0.103 0.000 1.148 275 D CA 1.405 55.484 54.000 0.132 0.000 0.656 275 D CB -1.026 39.842 40.800 0.114 0.000 1.050 275 D HN 0.582 8.952 8.370 -0.000 0.000 0.426 276 G N 0.193 109.011 108.800 0.030 0.000 2.528 276 G HA2 0.541 4.500 3.960 -0.002 0.000 0.289 276 G HA3 0.541 4.500 3.960 -0.002 0.000 0.289 276 G C -0.355 174.376 174.900 -0.282 0.000 1.192 276 G CA -0.415 44.474 45.100 -0.353 0.000 0.921 276 G HN 0.193 8.483 8.290 -0.000 0.000 0.512 277 D N -1.195 118.989 120.400 -0.359 0.000 2.671 277 D HA 0.241 4.880 4.640 -0.002 0.000 0.232 277 D C -1.412 174.768 176.300 -0.200 0.000 1.114 277 D CA -0.280 53.598 54.000 -0.202 0.000 0.858 277 D CB 2.546 43.271 40.800 -0.126 0.000 1.544 277 D HN 0.220 8.590 8.370 -0.000 0.000 0.471 278 Y N 1.262 121.405 120.300 -0.263 0.000 2.313 278 Y HA 0.220 4.769 4.550 -0.002 0.000 0.332 278 Y C 0.015 175.808 175.900 -0.178 0.000 1.071 278 Y CA -0.358 57.588 58.100 -0.256 0.000 1.169 278 Y CB 0.961 39.293 38.460 -0.213 0.000 1.192 278 Y HN 0.321 8.601 8.280 -0.000 0.000 0.487 279 E N 6.333 126.244 120.200 -0.481 0.000 3.374 279 E HA 0.141 4.490 4.350 -0.002 0.000 0.223 279 E C -0.768 175.460 176.600 -0.620 0.000 1.210 279 E CA -0.532 55.609 56.400 -0.432 0.000 0.987 279 E CB 0.282 29.840 29.700 -0.237 0.000 1.322 279 E HN 0.612 8.972 8.360 -0.000 0.000 0.404 280 K N 3.105 122.920 120.400 -0.975 0.000 2.472 280 K HA -0.078 4.241 4.320 -0.002 0.000 0.269 280 K C -1.670 174.699 176.600 -0.385 0.000 1.056 280 K CA -0.111 55.659 56.287 -0.861 0.000 1.158 280 K CB 0.523 32.722 32.500 -0.501 0.000 0.821 280 K HN 0.306 8.556 8.250 -0.000 0.000 0.486 281 P HA 0.152 4.572 4.420 -0.000 0.000 0.259 281 P C -1.163 176.080 177.300 -0.095 0.000 1.530 281 P CA -0.183 62.816 63.100 -0.169 0.000 1.022 281 P CB 0.337 32.012 31.700 -0.041 0.000 1.514 282 N N 0.052 118.621 118.700 -0.218 0.000 2.321 282 N HA 0.235 4.974 4.740 -0.002 0.000 0.299 282 N C -0.617 174.831 175.510 -0.104 0.000 1.048 282 N CA -0.631 52.365 53.050 -0.090 0.000 0.836 282 N CB 2.481 40.920 38.487 -0.079 0.000 1.269 282 N HN -0.239 8.141 8.380 -0.000 0.000 0.486 283 V N 1.674 121.532 119.914 -0.093 0.000 2.530 283 V HA 0.264 4.383 4.120 -0.002 0.000 0.282 283 V C 0.552 176.391 176.094 -0.424 0.000 1.048 283 V CA -0.158 61.923 62.300 -0.364 0.000 0.997 283 V CB 0.697 32.096 31.823 -0.707 0.000 0.987 283 V HN 0.508 8.698 8.190 -0.000 0.000 0.477 284 K N 4.497 124.580 120.400 -0.529 0.000 2.378 284 K HA 0.456 4.775 4.320 -0.002 0.000 0.252 284 K C -1.721 174.683 176.600 -0.327 0.000 0.931 284 K CA -0.655 55.480 56.287 -0.254 0.000 0.794 284 K CB 1.780 34.217 32.500 -0.104 0.000 1.181 284 K HN 0.679 8.929 8.250 -0.000 0.000 0.425 285 W N 2.279 123.608 121.300 0.047 0.000 2.736 285 W HA 0.203 4.862 4.660 -0.002 0.000 0.335 285 W C -0.452 176.118 176.519 0.084 0.000 1.059 285 W CA -0.781 56.598 57.345 0.056 0.000 1.226 285 W CB 1.622 31.096 29.460 0.023 0.000 1.416 285 W HN 0.691 8.871 8.180 -0.000 0.000 0.505 286 H N 2.716 121.920 119.070 0.224 0.000 2.661 286 H HA 0.453 5.008 4.556 -0.002 0.000 0.290 286 H C -0.417 174.998 175.328 0.144 0.000 1.082 286 H CA 0.072 56.209 56.048 0.149 0.000 1.234 286 H CB 0.207 30.025 29.762 0.093 0.000 1.387 286 H HN 0.220 8.500 8.280 -0.000 0.000 0.476 293 E N -0.614 119.486 120.200 -0.167 0.000 2.388 293 E HA 0.559 4.907 4.350 -0.002 0.000 0.282 293 E C -1.105 175.339 176.600 -0.259 0.000 1.026 293 E CA -0.985 55.295 56.400 -0.200 0.000 0.820 293 E CB 1.839 31.460 29.700 -0.132 0.000 1.226 293 E HN -0.099 8.261 8.360 -0.000 0.000 0.432 294 V N -0.669 119.031 119.914 -0.356 0.000 3.102 294 V HA 0.986 5.105 4.120 -0.002 0.000 0.312 294 V C -0.502 175.471 176.094 -0.202 0.000 1.135 294 V CA 0.008 62.052 62.300 -0.427 0.000 1.022 294 V CB 1.451 32.562 31.823 -1.186 0.000 1.056 294 V HN 1.204 9.394 8.190 -0.000 0.000 0.436 295 S N 1.362 117.106 115.700 0.074 0.000 2.656 295 S HA 0.954 5.422 4.470 -0.002 0.000 0.273 295 S C -1.115 173.770 174.600 0.475 0.000 1.168 295 S CA -0.601 57.704 58.200 0.174 0.000 0.817 295 S CB 1.959 65.164 63.200 0.010 0.000 1.146 295 S HN 2.177 10.487 8.310 -0.000 0.000 0.475 296 F N -0.752 119.334 119.950 0.226 0.000 2.645 296 F HA 0.830 5.355 4.527 -0.002 0.000 0.310 296 F C -1.367 174.497 175.800 0.106 0.000 1.102 296 F CA -1.456 56.645 58.000 0.167 0.000 0.952 296 F CB 0.816 39.904 39.000 0.147 0.000 1.326 296 F HN 0.494 8.794 8.300 -0.000 0.000 0.456 297 I N 3.049 123.749 120.570 0.217 0.000 2.437 297 I HA 0.472 4.640 4.170 -0.002 0.000 0.298 297 I C -0.484 175.760 176.117 0.213 0.000 0.984 297 I CA -0.769 60.567 61.300 0.060 0.000 1.214 297 I CB 1.349 39.378 38.000 0.047 0.000 1.365 297 I HN 0.779 8.989 8.210 -0.000 0.000 0.469 298 F N 4.916 124.904 119.950 0.064 0.000 2.579 298 F HA 0.781 5.306 4.527 -0.002 0.000 0.324 298 F C -1.247 174.637 175.800 0.140 0.000 1.058 298 F CA -1.248 56.786 58.000 0.057 0.000 0.944 298 F CB 1.607 40.578 39.000 -0.048 0.000 1.245 298 F HN 0.383 8.683 8.300 -0.000 0.000 0.477 299 Y N 1.241 121.660 120.300 0.198 0.000 2.480 299 Y HA 0.532 5.080 4.550 -0.002 0.000 0.329 299 Y C -1.704 174.300 175.900 0.174 0.000 1.127 299 Y CA -0.531 57.660 58.100 0.152 0.000 1.037 299 Y CB 1.789 40.299 38.460 0.083 0.000 1.320 299 Y HN 0.982 9.262 8.280 -0.000 0.000 0.446 300 Q N 7.684 127.052 119.800 -0.720 0.000 2.403 300 Q HA 0.424 4.763 4.340 -0.002 0.000 0.267 300 Q C -3.002 172.707 176.000 -0.485 0.000 0.991 300 Q CA -2.218 53.273 55.803 -0.520 0.000 0.906 300 Q CB 3.111 31.815 28.738 -0.056 0.000 1.422 300 Q HN 0.440 8.710 8.270 -0.000 0.000 0.400 301 P HA 0.149 4.569 4.420 -0.000 0.000 0.272 301 P C -0.987 176.296 177.300 -0.028 0.000 1.223 301 P CA -0.178 62.848 63.100 -0.124 0.000 0.784 301 P CB 0.975 32.663 31.700 -0.020 0.000 0.923 302 V N 2.054 121.972 119.914 0.005 0.000 2.668 302 V HA 0.292 4.410 4.120 -0.002 0.000 0.304 302 V C -0.102 175.991 176.094 -0.003 0.000 1.071 302 V CA -0.372 61.928 62.300 0.001 0.000 0.894 302 V CB 2.219 34.038 31.823 -0.006 0.000 1.008 302 V HN 0.515 8.705 8.190 -0.000 0.000 0.425 303 T N 6.245 120.793 114.554 -0.010 0.000 2.824 303 T HA 0.775 5.123 4.350 -0.002 0.000 0.280 303 T C -0.419 174.265 174.700 -0.026 0.000 0.995 303 T CA -0.209 61.884 62.100 -0.012 0.000 1.009 303 T CB 1.019 69.883 68.868 -0.006 0.000 0.955 303 T HN 0.453 8.694 8.240 -0.000 0.000 0.452 304 I N 2.119 122.671 120.570 -0.030 0.000 2.512 304 I HA 0.529 4.698 4.170 -0.002 0.000 0.287 304 I C 1.014 177.112 176.117 -0.032 0.000 1.069 304 I CA -0.731 60.547 61.300 -0.037 0.000 1.056 304 I CB 1.566 39.535 38.000 -0.052 0.000 1.229 304 I HN 0.869 9.079 8.210 -0.000 0.000 0.429 305 G N 6.195 114.980 108.800 -0.026 0.000 2.620 305 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.315 305 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.315 305 G C 0.561 175.451 174.900 -0.016 0.000 1.179 305 G CA 0.484 45.571 45.100 -0.021 0.000 0.971 305 G HN 0.663 8.953 8.290 -0.000 0.000 0.544 306 K N 1.351 121.741 120.400 -0.016 0.000 2.414 306 K HA 0.599 4.917 4.320 -0.002 0.000 0.204 306 K C 0.490 177.084 176.600 -0.010 0.000 1.026 306 K CA 0.527 56.809 56.287 -0.010 0.000 1.108 306 K CB 1.431 33.928 32.500 -0.007 0.000 0.855 306 K HN 0.772 9.022 8.250 -0.000 0.000 0.517 307 A N 1.957 124.767 122.820 -0.017 0.000 2.304 307 A HA 0.400 4.719 4.320 -0.002 0.000 0.323 307 A C -0.618 176.961 177.584 -0.008 0.000 1.195 307 A CA -0.617 51.410 52.037 -0.018 0.000 0.826 307 A CB 0.610 19.587 19.000 -0.038 0.000 1.184 307 A HN 0.066 8.216 8.150 -0.000 0.000 0.496 308 K N 1.583 121.986 120.400 0.006 0.000 2.235 308 K HA 0.644 4.963 4.320 -0.002 0.000 0.266 308 K C -0.404 176.218 176.600 0.036 0.000 0.980 308 K CA -0.230 56.069 56.287 0.019 0.000 0.849 308 K CB 2.104 34.620 32.500 0.026 0.000 1.098 308 K HN 0.760 9.010 8.250 -0.000 0.000 0.445 309 A N 3.126 125.975 122.820 0.047 0.000 2.386 309 A HA 0.604 4.922 4.320 -0.002 0.000 0.308 309 A C -0.796 176.860 177.584 0.120 0.000 1.128 309 A CA -0.956 51.134 52.037 0.088 0.000 0.789 309 A CB 1.095 20.140 19.000 0.075 0.000 1.325 309 A HN 0.736 8.886 8.150 -0.000 0.000 0.437 310 R N 0.749 121.366 120.500 0.196 0.000 2.346 310 R HA 0.259 4.598 4.340 -0.002 0.000 0.309 310 R C -1.251 175.254 176.300 0.342 0.000 1.119 310 R CA -0.281 55.962 56.100 0.240 0.000 1.112 310 R CB 0.643 31.155 30.300 0.354 0.000 1.132 310 R HN 0.545 8.815 8.270 -0.000 0.000 0.538 311 F N 5.327 125.313 119.950 0.060 0.000 2.494 311 F HA 0.096 4.622 4.527 -0.002 0.000 0.369 311 F C -0.075 175.887 175.800 0.270 0.000 1.098 311 F CA -0.132 57.968 58.000 0.166 0.000 1.154 311 F CB -0.170 38.906 39.000 0.125 0.000 1.103 311 F HN 0.423 8.723 8.300 -0.000 0.000 0.549 312 H N 4.277 123.362 119.070 0.025 0.000 3.029 312 H HA 0.605 5.160 4.556 -0.002 0.000 0.358 312 H C -0.840 174.092 175.328 -0.659 0.000 1.129 312 H CA -0.137 55.728 56.048 -0.304 0.000 1.230 312 H CB 1.637 31.467 29.762 0.114 0.000 1.827 312 H HN 0.797 9.077 8.280 -0.000 0.000 0.530 313 G N 2.838 110.462 108.800 -1.960 0.000 2.340 313 G HA2 0.287 4.246 3.960 -0.002 0.000 0.299 313 G HA3 0.287 4.246 3.960 -0.002 0.000 0.299 313 G C -1.905 172.280 174.900 -1.191 0.000 1.291 313 G CA -1.070 43.142 45.100 -1.480 0.000 0.841 313 G HN 0.681 8.971 8.290 -0.000 0.000 0.500 314 R N -0.459 119.714 120.500 -0.545 0.000 2.561 314 R HA 0.665 5.004 4.340 -0.002 0.000 0.297 314 R C -1.355 174.823 176.300 -0.202 0.000 0.969 314 R CA -0.508 55.403 56.100 -0.315 0.000 0.879 314 R CB 2.123 32.287 30.300 -0.226 0.000 1.178 314 R HN 0.411 8.681 8.270 -0.000 0.000 0.445 315 V N 3.856 123.541 119.914 -0.382 0.000 2.370 315 V HA 0.381 4.500 4.120 -0.002 0.000 0.279 315 V C -0.312 175.558 176.094 -0.374 0.000 1.029 315 V CA -0.425 61.615 62.300 -0.434 0.000 0.870 315 V CB 1.729 33.086 31.823 -0.775 0.000 0.984 315 V HN 0.840 9.030 8.190 -0.000 0.000 0.451 316 T N 4.540 118.981 114.554 -0.190 0.000 2.797 316 T HA 0.471 4.820 4.350 -0.002 0.000 0.279 316 T C -0.500 174.142 174.700 -0.096 0.000 0.991 316 T CA -0.468 61.555 62.100 -0.128 0.000 0.979 316 T CB 1.597 70.403 68.868 -0.103 0.000 0.943 316 T HN 0.595 8.835 8.240 -0.000 0.000 0.444 317 Q N 3.650 123.388 119.800 -0.103 0.000 2.413 317 Q HA 0.409 4.747 4.340 -0.002 0.000 0.258 317 Q C -2.793 173.124 176.000 -0.140 0.000 1.037 317 Q CA -2.338 53.404 55.803 -0.103 0.000 0.764 317 Q CB 1.054 29.725 28.738 -0.113 0.000 1.217 317 Q HN 0.244 8.514 8.270 -0.000 0.000 0.490 318 P HA 0.246 4.666 4.420 -0.000 0.000 0.275 318 P C -0.881 176.364 177.300 -0.091 0.000 1.228 318 P CA -0.121 62.923 63.100 -0.093 0.000 0.786 318 P CB 0.907 32.568 31.700 -0.066 0.000 0.927 319 L N 2.008 123.178 121.223 -0.089 0.000 2.309 319 L HA 0.667 5.006 4.340 -0.002 0.000 0.261 319 L C 0.531 177.393 176.870 -0.014 0.000 1.021 319 L CA -0.848 53.954 54.840 -0.064 0.000 0.823 319 L CB 2.094 44.084 42.059 -0.116 0.000 1.366 319 L HN 0.442 8.672 8.230 -0.000 0.000 0.423 320 K N 0.000 120.411 120.400 0.019 0.000 2.780 320 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 320 K CA 0.000 56.304 56.287 0.028 0.000 0.838 320 K CB 0.000 32.504 32.500 0.007 0.000 1.064 320 K HN 0.000 8.250 8.250 -0.000 0.000 0.543