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 2vw5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASETFEFQA EITQLMSLII NTVYSNKEIF LRELISNASD ALDKIRYKSL DATA SEQUENCE SDPKQLETEP DLFIRITPKP EQKVLEIRDS GIGMTKAELI NNLGTIAKSG DATA SEQUENCE TKAFMEALSA GADVSMIGQF GVGFYSLFLV ADRVQVISKS NDDEQYIWES DATA SEQUENCE NAGGSFTVTL DEVNERIGRG TILRLFLKDD QLEYLEEKRI KEVIKRHSEF DATA SEQUENCE VAYPIQLVVT KEVE 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 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.316 176.300 0.027 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 A N 2.324 125.161 122.820 0.029 0.000 2.451 2 A HA 0.619 4.939 4.320 -0.001 0.000 0.266 2 A C 0.304 177.913 177.584 0.042 0.000 1.119 2 A CA 0.048 52.099 52.037 0.023 0.000 0.786 2 A CB 0.032 19.040 19.000 0.014 0.000 1.061 2 A HN 0.676 8.826 8.150 0.000 0.000 0.503 3 S N 1.935 117.653 115.700 0.029 0.000 2.592 3 S HA 0.254 4.723 4.470 -0.001 0.000 0.271 3 S C 0.059 174.660 174.600 0.002 0.000 1.326 3 S CA -0.358 57.868 58.200 0.043 0.000 1.024 3 S CB 0.645 63.858 63.200 0.021 0.000 0.921 3 S HN 0.743 9.053 8.310 0.000 0.000 0.527 4 E N 0.924 121.138 120.200 0.022 0.000 2.191 4 E HA 0.400 4.749 4.350 -0.001 0.000 0.274 4 E C -0.829 175.618 176.600 -0.256 0.000 0.948 4 E CA -0.563 55.754 56.400 -0.138 0.000 0.802 4 E CB 1.480 31.123 29.700 -0.095 0.000 1.137 4 E HN 0.396 8.756 8.360 0.000 0.000 0.397 5 T N 2.612 116.864 114.554 -0.504 0.000 2.824 5 T HA 0.518 4.868 4.350 -0.001 0.000 0.280 5 T C -0.894 173.271 174.700 -0.893 0.000 0.995 5 T CA -0.491 61.307 62.100 -0.503 0.000 1.009 5 T CB 0.323 69.005 68.868 -0.311 0.000 0.955 5 T HN 0.208 8.448 8.240 0.000 0.000 0.452 6 F N 1.013 120.542 119.950 -0.701 0.000 2.563 6 F HA 0.429 4.955 4.527 -0.001 0.000 0.316 6 F C 0.489 175.839 175.800 -0.750 0.000 1.076 6 F CA -1.226 56.294 58.000 -0.801 0.000 0.921 6 F CB 1.482 39.740 39.000 -1.236 0.000 1.209 6 F HN 0.287 8.587 8.300 0.000 0.000 0.462 7 E N 1.941 122.019 120.200 -0.203 0.000 2.283 7 E HA 0.217 4.566 4.350 -0.001 0.000 0.278 7 E C -0.816 175.839 176.600 0.090 0.000 1.027 7 E CA -0.371 55.998 56.400 -0.050 0.000 0.843 7 E CB 0.901 30.615 29.700 0.023 0.000 1.062 7 E HN 0.372 8.732 8.360 0.000 0.000 0.401 8 F N 1.567 121.665 119.950 0.247 0.000 2.518 8 F HA -0.038 4.488 4.527 -0.001 0.000 0.359 8 F C 1.583 177.494 175.800 0.184 0.000 1.118 8 F CA 0.062 58.260 58.000 0.330 0.000 1.287 8 F CB 0.542 39.710 39.000 0.280 0.000 1.132 8 F HN 0.338 8.638 8.300 0.000 0.000 0.587 9 Q N 3.157 123.187 119.800 0.384 0.000 2.333 9 Q HA 0.085 4.424 4.340 -0.001 0.000 0.299 9 Q C 0.965 177.068 176.000 0.172 0.000 1.067 9 Q CA 0.330 56.266 55.803 0.221 0.000 0.943 9 Q CB 1.297 30.140 28.738 0.174 0.000 1.233 9 Q HN 0.844 9.114 8.270 0.000 0.000 0.401 10 A N 4.086 126.970 122.820 0.106 0.000 1.927 10 A HA -0.291 4.028 4.320 -0.001 0.000 0.220 10 A C 1.707 179.302 177.584 0.017 0.000 1.185 10 A CA 2.161 54.233 52.037 0.058 0.000 0.639 10 A CB -0.612 18.411 19.000 0.038 0.000 0.820 10 A HN 0.993 9.143 8.150 0.000 0.000 0.451 11 E N -0.654 119.555 120.200 0.016 0.000 2.150 11 E HA -0.091 4.258 4.350 -0.001 0.000 0.193 11 E C 1.849 178.406 176.600 -0.072 0.000 0.985 11 E CA 1.016 57.404 56.400 -0.020 0.000 0.814 11 E CB -0.222 29.476 29.700 -0.003 0.000 0.752 11 E HN 0.738 9.098 8.360 0.000 0.000 0.466 12 I N 0.702 121.233 120.570 -0.065 0.000 2.252 12 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 12 I C 2.298 178.223 176.117 -0.320 0.000 1.102 12 I CA 1.055 62.230 61.300 -0.209 0.000 1.385 12 I CB -0.347 37.615 38.000 -0.063 0.000 1.064 12 I HN 0.086 8.296 8.210 0.000 0.000 0.414 13 T N 0.403 114.830 114.554 -0.212 0.000 2.720 13 T HA -0.242 4.107 4.350 -0.001 0.000 0.268 13 T C 1.853 176.434 174.700 -0.198 0.000 1.037 13 T CA 1.426 63.383 62.100 -0.239 0.000 1.144 13 T CB -0.310 68.508 68.868 -0.083 0.000 0.864 13 T HN 0.428 8.668 8.240 0.000 0.000 0.444 14 Q N 0.231 119.951 119.800 -0.134 0.000 2.061 14 Q HA -0.095 4.244 4.340 -0.001 0.000 0.204 14 Q C 2.377 178.298 176.000 -0.132 0.000 0.984 14 Q CA 1.219 56.955 55.803 -0.110 0.000 0.846 14 Q CB -0.424 28.267 28.738 -0.078 0.000 0.902 14 Q HN 0.347 8.617 8.270 0.000 0.000 0.421 15 L N 0.329 121.455 121.223 -0.161 0.000 2.017 15 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 15 L C 2.159 178.932 176.870 -0.161 0.000 1.073 15 L CA 1.757 56.511 54.840 -0.144 0.000 0.745 15 L CB -0.290 41.645 42.059 -0.207 0.000 0.894 15 L HN 0.223 8.453 8.230 0.000 0.000 0.432 16 M N -1.414 118.016 119.600 -0.285 0.000 2.159 16 M HA -0.187 4.292 4.480 -0.001 0.000 0.263 16 M C 2.484 178.628 176.300 -0.261 0.000 1.063 16 M CA 1.853 56.948 55.300 -0.342 0.000 1.110 16 M CB -0.488 31.739 32.600 -0.621 0.000 1.374 16 M HN 0.506 8.796 8.290 0.000 0.000 0.411 17 S N 0.797 116.370 115.700 -0.212 0.000 2.371 17 S HA -0.064 4.405 4.470 -0.001 0.000 0.224 17 S C 1.861 176.397 174.600 -0.107 0.000 1.029 17 S CA 0.745 58.855 58.200 -0.150 0.000 0.978 17 S CB -0.208 62.918 63.200 -0.124 0.000 0.833 17 S HN 0.434 8.744 8.310 0.000 0.000 0.466 18 L N 0.748 121.915 121.223 -0.094 0.000 2.013 18 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 18 L C 2.440 179.278 176.870 -0.054 0.000 1.073 18 L CA 1.769 56.565 54.840 -0.073 0.000 0.753 18 L CB -0.524 41.489 42.059 -0.076 0.000 0.890 18 L HN 0.424 8.654 8.230 0.000 0.000 0.432 19 I N -0.463 120.096 120.570 -0.018 0.000 2.252 19 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 19 I C 2.363 178.472 176.117 -0.012 0.000 1.102 19 I CA 1.301 62.620 61.300 0.031 0.000 1.385 19 I CB -0.105 37.970 38.000 0.126 0.000 1.064 19 I HN 0.176 8.386 8.210 0.000 0.000 0.414 20 I N 0.827 121.373 120.570 -0.040 0.000 2.315 20 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 20 I C 1.929 177.983 176.117 -0.106 0.000 1.117 20 I CA 1.315 62.584 61.300 -0.052 0.000 1.404 20 I CB -0.300 37.656 38.000 -0.074 0.000 1.071 20 I HN 0.329 8.539 8.210 0.000 0.000 0.419 21 N N -0.808 117.820 118.700 -0.120 0.000 2.463 21 N HA -0.016 4.723 4.740 -0.001 0.000 0.183 21 N C 1.833 177.213 175.510 -0.216 0.000 1.064 21 N CA 1.532 54.499 53.050 -0.140 0.000 0.879 21 N CB 0.027 38.467 38.487 -0.079 0.000 1.148 21 N HN 0.347 8.727 8.380 0.000 0.000 0.451 22 T N -1.634 112.815 114.554 -0.176 0.000 3.022 22 T HA 0.216 4.565 4.350 -0.001 0.000 0.250 22 T C 0.609 175.197 174.700 -0.186 0.000 1.060 22 T CA -0.067 61.959 62.100 -0.124 0.000 1.013 22 T CB -0.091 68.769 68.868 -0.013 0.000 0.982 22 T HN -0.236 8.004 8.240 0.000 0.000 0.508 23 V N 2.057 121.822 119.914 -0.249 0.000 2.432 23 V HA 0.387 4.507 4.120 -0.001 0.000 0.275 23 V C 0.056 175.983 176.094 -0.278 0.000 1.043 23 V CA -0.523 61.697 62.300 -0.132 0.000 0.925 23 V CB 0.709 32.522 31.823 -0.016 0.000 0.985 23 V HN 0.383 8.573 8.190 0.000 0.000 0.466 24 Y N 1.802 122.125 120.300 0.039 0.000 2.526 24 Y HA 0.216 4.765 4.550 -0.002 0.000 0.265 24 Y C 1.326 177.256 175.900 0.050 0.000 1.092 24 Y CA 0.267 58.391 58.100 0.039 0.000 1.277 24 Y CB 0.917 39.395 38.460 0.029 0.000 1.228 24 Y HN 0.729 9.009 8.280 0.000 0.000 0.507 25 S N -1.476 114.337 115.700 0.188 0.000 2.720 25 S HA 0.355 4.824 4.470 -0.001 0.000 0.287 25 S C -0.276 174.392 174.600 0.113 0.000 1.168 25 S CA -0.800 57.484 58.200 0.141 0.000 0.832 25 S CB 1.472 64.750 63.200 0.129 0.000 1.166 25 S HN 0.136 8.446 8.310 0.000 0.000 0.493 26 N N 0.501 119.266 118.700 0.108 0.000 2.721 26 N HA -0.159 4.580 4.740 -0.001 0.000 0.249 26 N C 0.404 175.966 175.510 0.088 0.000 1.072 26 N CA 0.985 54.088 53.050 0.088 0.000 0.710 26 N CB -1.231 37.292 38.487 0.059 0.000 0.993 26 N HN 0.712 9.092 8.380 0.000 0.000 0.547 27 K N 0.084 120.563 120.400 0.130 0.000 2.283 27 K HA -0.166 4.153 4.320 -0.001 0.000 0.202 27 K C 1.624 178.324 176.600 0.167 0.000 1.048 27 K CA 1.389 57.756 56.287 0.132 0.000 0.948 27 K CB -0.041 32.539 32.500 0.132 0.000 0.742 27 K HN 0.679 8.929 8.250 0.000 0.000 0.458 28 E N 1.794 122.095 120.200 0.167 0.000 2.331 28 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 28 E C 1.808 178.297 176.600 -0.184 0.000 1.008 28 E CA 1.141 57.567 56.400 0.043 0.000 0.843 28 E CB -0.713 29.093 29.700 0.177 0.000 0.761 28 E HN 0.494 8.854 8.360 0.000 0.000 0.507 29 I N 0.206 120.699 120.570 -0.129 0.000 2.530 29 I HA -0.211 3.958 4.170 -0.001 0.000 0.257 29 I C 2.392 178.392 176.117 -0.195 0.000 1.179 29 I CA 1.200 62.380 61.300 -0.201 0.000 1.440 29 I CB -1.006 36.924 38.000 -0.116 0.000 1.087 29 I HN 0.189 8.399 8.210 0.000 0.000 0.440 30 F N 0.820 120.657 119.950 -0.188 0.000 2.154 30 F HA -0.192 4.333 4.527 -0.003 0.000 0.301 30 F C 1.946 177.634 175.800 -0.186 0.000 1.087 30 F CA 1.494 59.375 58.000 -0.199 0.000 1.274 30 F CB -1.085 37.763 39.000 -0.254 0.000 1.009 30 F HN 0.180 8.480 8.300 0.000 0.000 0.485 31 L N 1.113 121.445 121.223 -1.485 0.000 2.056 31 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 31 L C 2.842 179.441 176.870 -0.452 0.000 1.078 31 L CA 1.829 56.001 54.840 -1.113 0.000 0.749 31 L CB -0.972 40.457 42.059 -1.050 0.000 0.901 31 L HN 0.312 8.542 8.230 0.000 0.000 0.433 32 R N -0.782 119.521 120.500 -0.329 0.000 2.081 32 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 32 R C 2.048 178.279 176.300 -0.116 0.000 1.131 32 R CA 1.455 57.465 56.100 -0.151 0.000 0.960 32 R CB -0.141 30.103 30.300 -0.094 0.000 0.856 32 R HN 0.349 8.619 8.270 0.000 0.000 0.436 33 E N 0.948 121.071 120.200 -0.130 0.000 2.058 33 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 33 E C 2.125 178.684 176.600 -0.067 0.000 0.997 33 E CA 1.315 57.668 56.400 -0.077 0.000 0.801 33 E CB -0.312 29.349 29.700 -0.064 0.000 0.746 33 E HN 0.442 8.802 8.360 0.000 0.000 0.450 34 L N 0.320 121.486 121.223 -0.094 0.000 2.141 34 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 34 L C 2.564 179.401 176.870 -0.056 0.000 1.094 34 L CA 0.662 55.466 54.840 -0.060 0.000 0.763 34 L CB -0.368 41.662 42.059 -0.048 0.000 0.908 34 L HN 0.075 8.305 8.230 0.000 0.000 0.437 35 I N -0.745 119.780 120.570 -0.074 0.000 2.252 35 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 35 I C 2.607 178.715 176.117 -0.016 0.000 1.102 35 I CA 0.966 62.241 61.300 -0.041 0.000 1.385 35 I CB -0.156 37.819 38.000 -0.042 0.000 1.064 35 I HN 0.159 8.369 8.210 0.000 0.000 0.414 36 S N 0.702 116.391 115.700 -0.017 0.000 2.368 36 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 36 S C 1.667 176.260 174.600 -0.011 0.000 1.030 36 S CA 1.598 59.798 58.200 0.001 0.000 0.999 36 S CB -0.576 62.623 63.200 -0.002 0.000 0.844 36 S HN 0.501 8.811 8.310 0.000 0.000 0.459 37 N N 1.351 120.035 118.700 -0.026 0.000 2.084 37 N HA -0.099 4.640 4.740 -0.001 0.000 0.190 37 N C 2.042 177.515 175.510 -0.062 0.000 1.030 37 N CA 0.995 54.022 53.050 -0.039 0.000 0.849 37 N CB -0.271 38.201 38.487 -0.025 0.000 1.012 37 N HN 0.396 8.776 8.380 0.000 0.000 0.423 38 A N 0.691 123.473 122.820 -0.063 0.000 1.865 38 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 38 A C 2.324 179.826 177.584 -0.136 0.000 1.191 38 A CA 1.894 53.870 52.037 -0.103 0.000 0.623 38 A CB -1.027 17.923 19.000 -0.084 0.000 0.826 38 A HN 0.288 8.438 8.150 0.000 0.000 0.444 39 S N -0.438 115.228 115.700 -0.056 0.000 2.370 39 S HA -0.254 4.215 4.470 -0.001 0.000 0.226 39 S C 1.854 176.454 174.600 0.000 0.000 1.033 39 S CA 2.065 60.276 58.200 0.018 0.000 1.011 39 S CB -0.538 62.766 63.200 0.173 0.000 0.852 39 S HN 0.662 8.972 8.310 0.000 0.000 0.457 40 D N 0.655 121.045 120.400 -0.017 0.000 2.104 40 D HA -0.047 4.592 4.640 -0.001 0.000 0.194 40 D C 2.043 178.297 176.300 -0.076 0.000 0.994 40 D CA 1.530 55.511 54.000 -0.031 0.000 0.830 40 D CB -0.500 40.275 40.800 -0.042 0.000 0.959 40 D HN 0.434 8.804 8.370 0.000 0.000 0.452 41 A N -0.089 122.660 122.820 -0.118 0.000 1.940 41 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 41 A C 2.416 179.890 177.584 -0.183 0.000 1.176 41 A CA 1.214 53.165 52.037 -0.143 0.000 0.631 41 A CB -0.834 18.072 19.000 -0.157 0.000 0.814 41 A HN 0.385 8.535 8.150 0.000 0.000 0.446 42 L N -0.658 120.386 121.223 -0.299 0.000 2.093 42 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 42 L C 2.099 178.845 176.870 -0.206 0.000 1.085 42 L CA 1.242 55.801 54.840 -0.469 0.000 0.755 42 L CB -0.580 40.771 42.059 -1.180 0.000 0.904 42 L HN 0.273 8.502 8.230 0.000 0.000 0.435 43 D N 0.139 120.523 120.400 -0.028 0.000 2.116 43 D HA -0.182 4.457 4.640 -0.001 0.000 0.193 43 D C 2.204 178.556 176.300 0.086 0.000 0.998 43 D CA 1.111 55.192 54.000 0.135 0.000 0.836 43 D CB -0.079 40.786 40.800 0.109 0.000 0.951 43 D HN 0.152 8.522 8.370 0.000 0.000 0.449 44 K N 0.274 120.681 120.400 0.011 0.000 2.026 44 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 44 K C 2.254 178.885 176.600 0.051 0.000 1.048 44 K CA 0.307 56.602 56.287 0.014 0.000 0.929 44 K CB -0.552 31.925 32.500 -0.039 0.000 0.713 44 K HN 0.192 8.442 8.250 0.000 0.000 0.439 45 I N 1.452 122.022 120.570 0.000 0.000 2.252 45 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 45 I C 2.575 178.714 176.117 0.038 0.000 1.102 45 I CA 1.179 62.479 61.300 0.001 0.000 1.385 45 I CB -0.190 37.779 38.000 -0.052 0.000 1.064 45 I HN 0.050 8.260 8.210 0.000 0.000 0.414 46 R N -0.933 119.603 120.500 0.060 0.000 2.083 46 R HA -0.271 4.069 4.340 -0.001 0.000 0.237 46 R C 2.479 178.839 176.300 0.100 0.000 1.137 46 R CA 2.073 58.228 56.100 0.091 0.000 0.951 46 R CB -0.700 29.695 30.300 0.158 0.000 0.851 46 R HN 0.474 8.744 8.270 0.000 0.000 0.434 47 Y N 1.154 121.465 120.300 0.019 0.000 2.181 47 Y HA -0.219 4.330 4.550 -0.002 0.000 0.288 47 Y C 2.304 178.204 175.900 0.001 0.000 1.146 47 Y CA 2.076 60.182 58.100 0.010 0.000 1.164 47 Y CB -0.038 38.426 38.460 0.007 0.000 0.982 47 Y HN 0.009 8.289 8.280 0.000 0.000 0.515 48 K N -0.067 120.445 120.400 0.186 0.000 2.103 48 K HA -0.197 4.122 4.320 -0.001 0.000 0.207 48 K C 2.246 178.845 176.600 -0.002 0.000 1.048 48 K CA 1.659 58.002 56.287 0.093 0.000 0.930 48 K CB -0.360 32.186 32.500 0.076 0.000 0.716 48 K HN 0.459 8.709 8.250 0.000 0.000 0.444 49 S N 0.690 116.386 115.700 -0.007 0.000 2.447 49 S HA -0.090 4.379 4.470 -0.001 0.000 0.233 49 S C 1.977 176.543 174.600 -0.057 0.000 1.006 49 S CA 0.637 58.824 58.200 -0.022 0.000 0.957 49 S CB -0.478 62.719 63.200 -0.005 0.000 0.773 49 S HN 0.326 8.636 8.310 0.000 0.000 0.507 50 L N 0.993 122.148 121.223 -0.114 0.000 2.013 50 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 50 L C 2.406 179.205 176.870 -0.118 0.000 1.073 50 L CA 1.652 56.400 54.840 -0.153 0.000 0.753 50 L CB -0.600 41.280 42.059 -0.299 0.000 0.890 50 L HN 0.372 8.602 8.230 0.000 0.000 0.432 51 S N -2.597 113.034 115.700 -0.115 0.000 2.559 51 S HA 0.053 4.522 4.470 -0.001 0.000 0.226 51 S C 0.154 174.729 174.600 -0.041 0.000 1.000 51 S CA -0.138 58.018 58.200 -0.073 0.000 0.948 51 S CB 0.327 63.483 63.200 -0.072 0.000 0.870 51 S HN 0.279 8.589 8.310 0.000 0.000 0.497 52 D N 1.312 121.691 120.400 -0.036 0.000 2.735 52 D HA 0.223 4.862 4.640 -0.001 0.000 0.291 52 D C -2.157 174.135 176.300 -0.015 0.000 1.205 52 D CA -1.661 52.328 54.000 -0.018 0.000 0.777 52 D CB 1.087 41.883 40.800 -0.008 0.000 1.234 52 D HN 0.000 8.370 8.370 0.000 0.000 0.520 53 P HA -0.152 4.268 4.420 0.000 0.000 0.220 53 P C 1.380 178.678 177.300 -0.004 0.000 1.148 53 P CA 0.617 63.710 63.100 -0.011 0.000 0.803 53 P CB 0.535 32.228 31.700 -0.011 0.000 0.782 54 K N 0.217 120.615 120.400 -0.003 0.000 2.211 54 K HA -0.171 4.148 4.320 -0.001 0.000 0.204 54 K C 2.251 178.852 176.600 0.002 0.000 1.047 54 K CA 1.064 57.352 56.287 0.001 0.000 0.935 54 K CB -0.233 32.267 32.500 0.001 0.000 0.728 54 K HN -0.002 8.248 8.250 0.000 0.000 0.452 55 Q N 0.283 120.084 119.800 0.000 0.000 2.234 55 Q HA -0.167 4.172 4.340 -0.001 0.000 0.206 55 Q C 1.938 177.938 176.000 -0.000 0.000 0.980 55 Q CA 1.110 56.913 55.803 0.000 0.000 0.869 55 Q CB -0.052 28.686 28.738 0.000 0.000 0.912 55 Q HN 0.451 8.721 8.270 0.000 0.000 0.436 56 L N 0.361 121.585 121.223 0.002 0.000 2.395 56 L HA -0.091 4.249 4.340 -0.001 0.000 0.218 56 L C 1.923 178.800 176.870 0.012 0.000 1.130 56 L CA 0.457 55.301 54.840 0.006 0.000 0.826 56 L CB -0.185 41.881 42.059 0.011 0.000 0.941 56 L HN 0.206 8.436 8.230 0.000 0.000 0.451 57 E N -0.160 120.047 120.200 0.011 0.000 2.265 57 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 57 E C 1.965 178.575 176.600 0.017 0.000 0.996 57 E CA 1.671 58.080 56.400 0.014 0.000 0.832 57 E CB -0.121 29.585 29.700 0.011 0.000 0.756 57 E HN 0.573 8.933 8.360 0.000 0.000 0.491 58 T N -0.911 113.651 114.554 0.013 0.000 3.007 58 T HA -0.118 4.231 4.350 -0.001 0.000 0.270 58 T C 0.733 175.448 174.700 0.024 0.000 1.107 58 T CA 0.956 63.065 62.100 0.015 0.000 1.118 58 T CB 0.126 68.999 68.868 0.008 0.000 0.889 58 T HN -0.022 8.218 8.240 0.000 0.000 0.506 59 E N 0.606 120.823 120.200 0.028 0.000 2.647 59 E HA 0.290 4.639 4.350 -0.001 0.000 0.387 59 E C -2.798 173.837 176.600 0.057 0.000 0.996 59 E CA -1.428 55.004 56.400 0.054 0.000 0.735 59 E CB 0.899 30.629 29.700 0.049 0.000 1.559 59 E HN -0.044 8.316 8.360 0.000 0.000 0.385 60 P HA 0.053 4.473 4.420 0.000 0.000 0.223 60 P C -0.445 176.908 177.300 0.088 0.000 1.151 60 P CA 0.644 63.780 63.100 0.060 0.000 0.787 60 P CB 0.306 32.036 31.700 0.050 0.000 0.788 61 D N -0.281 120.208 120.400 0.148 0.000 2.210 61 D HA 0.249 4.889 4.640 -0.001 0.000 0.249 61 D C 0.027 176.476 176.300 0.248 0.000 1.078 61 D CA -0.116 54.016 54.000 0.221 0.000 0.875 61 D CB 0.755 41.718 40.800 0.272 0.000 1.175 61 D HN -0.019 8.351 8.370 0.000 0.000 0.440 62 L N 3.675 125.014 121.223 0.193 0.000 2.262 62 L HA 0.499 4.838 4.340 -0.001 0.000 0.288 62 L C -0.581 176.387 176.870 0.163 0.000 1.035 62 L CA -0.784 54.084 54.840 0.047 0.000 0.820 62 L CB -0.236 41.881 42.059 0.097 0.000 1.204 62 L HN 0.336 8.566 8.230 0.000 0.000 0.424 63 F N 2.012 121.949 119.950 -0.022 0.000 2.686 63 F HA 0.736 5.262 4.527 -0.001 0.000 0.311 63 F C -1.150 174.632 175.800 -0.030 0.000 1.128 63 F CA -1.225 56.782 58.000 0.011 0.000 0.946 63 F CB 1.262 40.272 39.000 0.017 0.000 1.336 63 F HN 0.048 8.348 8.300 0.000 0.000 0.457 64 I N 2.285 122.975 120.570 0.202 0.000 2.433 64 I HA 0.563 4.732 4.170 -0.001 0.000 0.292 64 I C -0.639 175.634 176.117 0.260 0.000 1.001 64 I CA -0.738 60.635 61.300 0.122 0.000 1.119 64 I CB 2.086 40.125 38.000 0.065 0.000 1.289 64 I HN 0.737 8.947 8.210 0.000 0.000 0.438 65 R N 6.889 127.534 120.500 0.242 0.000 2.575 65 R HA 0.684 5.023 4.340 -0.001 0.000 0.293 65 R C -1.824 174.538 176.300 0.103 0.000 0.983 65 R CA -0.579 55.637 56.100 0.194 0.000 0.887 65 R CB 1.765 32.217 30.300 0.253 0.000 1.184 65 R HN 0.621 8.891 8.270 0.000 0.000 0.445 66 I N 3.211 123.821 120.570 0.066 0.000 2.389 66 I HA 0.295 4.465 4.170 -0.001 0.000 0.288 66 I C -0.581 175.558 176.117 0.037 0.000 0.999 66 I CA -0.595 60.733 61.300 0.047 0.000 1.129 66 I CB 2.424 40.447 38.000 0.038 0.000 1.288 66 I HN 0.554 8.764 8.210 0.000 0.000 0.444 67 T N 6.905 121.477 114.554 0.030 0.000 2.934 67 T HA 0.342 4.692 4.350 -0.001 0.000 0.328 67 T C -2.619 172.087 174.700 0.010 0.000 1.068 67 T CA -1.408 60.702 62.100 0.017 0.000 1.018 67 T CB 1.101 69.975 68.868 0.011 0.000 1.009 67 T HN 0.244 8.484 8.240 0.000 0.000 0.471 68 P HA 0.308 4.728 4.420 0.000 0.000 0.276 68 P C -0.629 176.670 177.300 -0.002 0.000 1.230 68 P CA -0.573 62.536 63.100 0.014 0.000 0.776 68 P CB 0.769 32.487 31.700 0.031 0.000 0.888 69 K N 4.290 124.680 120.400 -0.017 0.000 2.679 69 K HA 0.245 4.564 4.320 -0.001 0.000 0.188 69 K C -2.092 174.499 176.600 -0.015 0.000 1.055 69 K CA -1.572 54.702 56.287 -0.022 0.000 1.006 69 K CB 1.308 33.782 32.500 -0.045 0.000 1.317 69 K HN 0.195 8.445 8.250 0.000 0.000 0.584 70 P HA -0.218 4.202 4.420 0.000 0.000 0.216 70 P C 0.632 177.937 177.300 0.009 0.000 1.150 70 P CA 1.339 64.442 63.100 0.005 0.000 0.843 70 P CB 0.325 32.029 31.700 0.007 0.000 0.787 71 E N -0.426 119.780 120.200 0.009 0.000 2.118 71 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 71 E C 1.729 178.345 176.600 0.026 0.000 0.992 71 E CA 1.068 57.478 56.400 0.017 0.000 0.804 71 E CB -0.473 29.237 29.700 0.016 0.000 0.741 71 E HN 0.383 8.743 8.360 0.000 0.000 0.458 72 Q N 0.192 120.005 119.800 0.020 0.000 2.360 72 Q HA 0.095 4.434 4.340 -0.001 0.000 0.202 72 Q C -0.417 175.607 176.000 0.041 0.000 0.915 72 Q CA 0.046 55.873 55.803 0.040 0.000 0.943 72 Q CB 0.309 29.059 28.738 0.019 0.000 1.064 72 Q HN 0.067 8.337 8.270 0.000 0.000 0.511 73 K N -0.428 119.984 120.400 0.019 0.000 3.148 73 K HA -0.172 4.147 4.320 -0.001 0.000 0.267 73 K C -1.174 175.407 176.600 -0.032 0.000 0.996 73 K CA 0.135 56.432 56.287 0.017 0.000 0.737 73 K CB -1.814 30.717 32.500 0.052 0.000 1.308 73 K HN 0.021 8.271 8.250 0.000 0.000 0.470 74 V N 1.081 120.937 119.914 -0.098 0.000 2.680 74 V HA 0.546 4.665 4.120 -0.001 0.000 0.309 74 V C -0.597 175.418 176.094 -0.132 0.000 1.052 74 V CA -0.974 61.190 62.300 -0.226 0.000 0.908 74 V CB 1.860 33.457 31.823 -0.376 0.000 1.001 74 V HN 0.241 8.431 8.190 0.000 0.000 0.431 75 L N 4.248 125.392 121.223 -0.131 0.000 2.349 75 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 75 L C -0.347 176.486 176.870 -0.062 0.000 0.996 75 L CA 0.142 54.954 54.840 -0.046 0.000 0.825 75 L CB 1.705 43.782 42.059 0.031 0.000 1.243 75 L HN 0.686 8.916 8.230 0.000 0.000 0.412 76 E N 4.904 125.083 120.200 -0.036 0.000 2.166 76 E HA 0.515 4.864 4.350 -0.001 0.000 0.275 76 E C -1.225 175.383 176.600 0.014 0.000 0.941 76 E CA -0.576 55.810 56.400 -0.023 0.000 0.784 76 E CB 2.017 31.703 29.700 -0.023 0.000 1.115 76 E HN 0.447 8.807 8.360 0.000 0.000 0.399 77 I N 3.099 123.678 120.570 0.017 0.000 2.411 77 I HA 0.298 4.468 4.170 -0.001 0.000 0.284 77 I C -0.174 175.953 176.117 0.017 0.000 1.012 77 I CA -0.296 61.017 61.300 0.022 0.000 1.119 77 I CB 1.328 39.337 38.000 0.014 0.000 1.261 77 I HN 0.279 8.489 8.210 0.000 0.000 0.448 78 R N 4.662 125.182 120.500 0.033 0.000 2.664 78 R HA 0.725 5.064 4.340 -0.001 0.000 0.286 78 R C -1.480 174.793 176.300 -0.045 0.000 0.967 78 R CA -0.529 55.584 56.100 0.021 0.000 0.933 78 R CB 1.618 31.975 30.300 0.096 0.000 1.146 78 R HN 0.795 9.065 8.270 0.000 0.000 0.468 79 D N -0.034 120.272 120.400 -0.157 0.000 2.552 79 D HA 0.179 4.818 4.640 -0.001 0.000 0.239 79 D C -0.780 175.230 176.300 -0.484 0.000 1.139 79 D CA -0.854 52.940 54.000 -0.343 0.000 0.914 79 D CB 2.031 42.670 40.800 -0.268 0.000 1.461 79 D HN 0.358 8.728 8.370 0.000 0.000 0.462 80 S N -0.474 114.770 115.700 -0.759 0.000 2.519 80 S HA 0.488 4.957 4.470 -0.001 0.000 0.245 80 S C 0.827 175.208 174.600 -0.365 0.000 1.152 80 S CA -0.612 57.237 58.200 -0.585 0.000 1.175 80 S CB -0.228 62.496 63.200 -0.794 0.000 0.829 80 S HN 0.666 8.976 8.310 0.000 0.000 0.472 81 G N 1.231 109.842 108.800 -0.315 0.000 2.504 81 G HA2 0.431 4.391 3.960 -0.001 0.000 0.257 81 G HA3 0.431 4.391 3.960 -0.001 0.000 0.257 81 G C 0.723 175.529 174.900 -0.158 0.000 1.451 81 G CA -0.604 44.351 45.100 -0.243 0.000 1.059 81 G HN 0.426 8.716 8.290 0.000 0.000 0.550 82 I N -0.247 120.249 120.570 -0.124 0.000 2.493 82 I HA 0.161 4.330 4.170 -0.001 0.000 0.254 82 I C 1.417 177.489 176.117 -0.075 0.000 1.160 82 I CA 1.562 62.812 61.300 -0.083 0.000 1.445 82 I CB -0.491 37.469 38.000 -0.067 0.000 1.086 82 I HN 0.951 9.162 8.210 0.000 0.000 0.433 83 G N 0.959 109.705 108.800 -0.090 0.000 2.796 83 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.226 83 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.226 83 G C -0.492 174.364 174.900 -0.074 0.000 1.381 83 G CA -0.113 44.943 45.100 -0.073 0.000 0.867 83 G HN 0.275 8.565 8.290 0.000 0.000 0.552 84 M N 0.988 120.550 119.600 -0.062 0.000 2.326 84 M HA 0.441 4.920 4.480 -0.001 0.000 0.292 84 M C 0.696 176.974 176.300 -0.036 0.000 1.081 84 M CA -0.344 54.909 55.300 -0.079 0.000 0.919 84 M CB 2.568 35.087 32.600 -0.135 0.000 1.634 84 M HN 1.109 9.399 8.290 0.000 0.000 0.451 85 T N -1.558 112.967 114.554 -0.047 0.000 2.766 85 T HA 0.229 4.578 4.350 -0.001 0.000 0.295 85 T C 1.028 175.651 174.700 -0.128 0.000 1.024 85 T CA -0.496 61.582 62.100 -0.036 0.000 1.018 85 T CB 1.262 70.104 68.868 -0.043 0.000 1.002 85 T HN 0.838 9.078 8.240 0.000 0.000 0.532 86 K N 0.453 120.686 120.400 -0.278 0.000 2.044 86 K HA -0.174 4.145 4.320 -0.001 0.000 0.210 86 K C 2.457 178.880 176.600 -0.294 0.000 1.049 86 K CA 1.529 57.489 56.287 -0.544 0.000 0.927 86 K CB -0.956 30.919 32.500 -1.043 0.000 0.713 86 K HN 0.746 8.996 8.250 0.000 0.000 0.443 87 A N 1.207 123.903 122.820 -0.208 0.000 1.933 87 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 87 A C 1.877 179.373 177.584 -0.148 0.000 1.175 87 A CA 1.750 53.698 52.037 -0.148 0.000 0.628 87 A CB -0.466 18.476 19.000 -0.097 0.000 0.814 87 A HN 0.508 8.658 8.150 0.000 0.000 0.444 88 E N -0.267 119.846 120.200 -0.144 0.000 2.077 88 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 88 E C 1.972 178.445 176.600 -0.211 0.000 0.989 88 E CA 1.210 57.517 56.400 -0.154 0.000 0.800 88 E CB -0.290 29.328 29.700 -0.137 0.000 0.746 88 E HN 0.649 9.009 8.360 0.000 0.000 0.452 89 L N 0.619 121.708 121.223 -0.224 0.000 2.012 89 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 89 L C 2.475 179.177 176.870 -0.281 0.000 1.073 89 L CA 1.087 55.749 54.840 -0.296 0.000 0.748 89 L CB -0.439 41.519 42.059 -0.168 0.000 0.891 89 L HN 0.166 8.396 8.230 0.000 0.000 0.431 90 I N -0.005 120.440 120.570 -0.209 0.000 2.163 90 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 90 I C 2.118 178.141 176.117 -0.156 0.000 1.085 90 I CA 1.306 62.463 61.300 -0.237 0.000 1.347 90 I CB -0.434 37.297 38.000 -0.448 0.000 1.044 90 I HN 0.337 8.547 8.210 0.000 0.000 0.408 91 N N 0.614 119.225 118.700 -0.149 0.000 2.331 91 N HA -0.096 4.644 4.740 -0.001 0.000 0.180 91 N C 1.303 176.752 175.510 -0.102 0.000 1.019 91 N CA 1.002 53.996 53.050 -0.095 0.000 0.881 91 N CB -0.269 38.168 38.487 -0.082 0.000 0.972 91 N HN 0.428 8.808 8.380 0.000 0.000 0.435 92 N N -0.343 118.246 118.700 -0.185 0.000 2.250 92 N HA 0.172 4.911 4.740 -0.001 0.000 0.190 92 N C 0.234 175.564 175.510 -0.299 0.000 1.116 92 N CA 0.085 53.009 53.050 -0.210 0.000 0.881 92 N CB 1.173 39.512 38.487 -0.247 0.000 1.006 92 N HN 0.167 8.547 8.380 0.000 0.000 0.491 93 L N 0.060 121.027 121.223 -0.428 0.000 3.062 93 L HA 0.375 4.714 4.340 -0.001 0.000 0.255 93 L C 0.940 177.652 176.870 -0.264 0.000 1.274 93 L CA -0.151 54.319 54.840 -0.617 0.000 1.047 93 L CB 0.607 41.746 42.059 -1.534 0.000 1.402 93 L HN 0.152 8.382 8.230 0.000 0.000 0.550 94 G N -0.698 108.111 108.800 0.015 0.000 3.468 94 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.219 94 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.219 94 G C 0.983 176.138 174.900 0.425 0.000 0.968 94 G CA 0.371 45.686 45.100 0.359 0.000 0.851 94 G HN 0.245 8.535 8.290 0.000 0.000 0.524 95 T N -0.538 114.197 114.554 0.301 0.000 3.067 95 T HA 0.482 4.831 4.350 -0.001 0.000 0.261 95 T C 0.833 175.634 174.700 0.168 0.000 1.110 95 T CA 0.636 62.886 62.100 0.251 0.000 1.113 95 T CB 0.227 69.202 68.868 0.179 0.000 0.917 95 T HN 0.331 8.571 8.240 0.000 0.000 0.499 96 I N 1.295 121.947 120.570 0.136 0.000 2.499 96 I HA 0.543 4.712 4.170 -0.001 0.000 0.288 96 I C -0.238 175.937 176.117 0.097 0.000 1.048 96 I CA -1.488 59.868 61.300 0.094 0.000 1.062 96 I CB 2.002 40.033 38.000 0.052 0.000 1.238 96 I HN 0.065 8.275 8.210 0.000 0.000 0.426 97 A N 6.529 129.401 122.820 0.085 0.000 2.410 97 A HA 0.206 4.525 4.320 -0.001 0.000 0.292 97 A C 0.271 177.891 177.584 0.060 0.000 1.232 97 A CA -0.181 51.899 52.037 0.072 0.000 0.893 97 A CB -0.080 18.954 19.000 0.058 0.000 1.131 97 A HN 0.765 8.915 8.150 0.000 0.000 0.530 98 K N 2.796 123.235 120.400 0.065 0.000 2.485 98 K HA 0.095 4.415 4.320 -0.001 0.000 0.277 98 K C 0.650 177.289 176.600 0.066 0.000 0.990 98 K CA 0.227 56.550 56.287 0.059 0.000 0.994 98 K CB 0.352 32.894 32.500 0.070 0.000 0.906 98 K HN 0.643 8.893 8.250 0.000 0.000 0.488 99 S N 2.532 118.267 115.700 0.058 0.000 2.558 99 S HA 0.218 4.687 4.470 -0.001 0.000 0.293 99 S C 1.041 175.706 174.600 0.108 0.000 1.292 99 S CA 1.074 59.316 58.200 0.070 0.000 1.063 99 S CB -0.169 63.061 63.200 0.050 0.000 0.831 99 S HN 0.953 9.263 8.310 0.000 0.000 0.499 100 G N 3.571 112.464 108.800 0.154 0.000 2.254 100 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.225 100 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.225 100 G C 0.987 176.037 174.900 0.251 0.000 1.003 100 G CA 0.542 45.804 45.100 0.270 0.000 0.622 100 G HN 0.769 9.059 8.290 0.000 0.000 0.507 101 T N 1.028 115.672 114.554 0.150 0.000 2.643 101 T HA -0.023 4.327 4.350 -0.001 0.000 0.264 101 T C 2.207 176.957 174.700 0.083 0.000 1.045 101 T CA 1.657 63.820 62.100 0.105 0.000 1.155 101 T CB -0.214 68.682 68.868 0.046 0.000 0.863 101 T HN 0.426 8.666 8.240 0.000 0.000 0.420 102 K N 0.947 121.382 120.400 0.058 0.000 2.026 102 K HA 0.024 4.343 4.320 -0.001 0.000 0.208 102 K C 2.743 179.347 176.600 0.006 0.000 1.048 102 K CA 1.157 57.457 56.287 0.021 0.000 0.929 102 K CB -0.402 32.114 32.500 0.026 0.000 0.713 102 K HN 0.285 8.535 8.250 0.000 0.000 0.439 103 A N 1.329 124.196 122.820 0.078 0.000 1.892 103 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 103 A C 2.014 179.500 177.584 -0.165 0.000 1.188 103 A CA 1.551 53.651 52.037 0.106 0.000 0.631 103 A CB -0.813 18.401 19.000 0.355 0.000 0.822 103 A HN 0.382 8.532 8.150 0.000 0.000 0.447 104 F N 0.350 120.009 119.950 -0.485 0.000 2.102 104 F HA -0.182 4.344 4.527 -0.002 0.000 0.298 104 F C 2.296 177.802 175.800 -0.490 0.000 1.105 104 F CA 2.067 59.491 58.000 -0.959 0.000 1.239 104 F CB -0.387 38.244 39.000 -0.615 0.000 0.991 104 F HN 0.173 8.473 8.300 0.000 0.000 0.474 105 M N 0.001 119.340 119.600 -0.434 0.000 2.159 105 M HA -0.219 4.260 4.480 -0.001 0.000 0.263 105 M C 2.017 178.100 176.300 -0.362 0.000 1.063 105 M CA 2.003 57.052 55.300 -0.418 0.000 1.110 105 M CB -0.627 31.862 32.600 -0.185 0.000 1.374 105 M HN 0.193 8.483 8.290 0.000 0.000 0.411 106 E N 0.545 120.589 120.200 -0.260 0.000 2.072 106 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 106 E C 2.156 178.626 176.600 -0.217 0.000 0.985 106 E CA 1.230 57.522 56.400 -0.181 0.000 0.801 106 E CB -0.202 29.442 29.700 -0.094 0.000 0.750 106 E HN 0.518 8.878 8.360 0.000 0.000 0.452 107 A N 1.501 124.128 122.820 -0.320 0.000 1.877 107 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 107 A C 2.196 179.582 177.584 -0.330 0.000 1.186 107 A CA 0.959 52.827 52.037 -0.283 0.000 0.620 107 A CB -0.680 18.105 19.000 -0.358 0.000 0.822 107 A HN 0.198 8.348 8.150 0.000 0.000 0.443 108 L N -0.318 120.554 121.223 -0.586 0.000 2.017 108 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 108 L C 2.739 179.450 176.870 -0.264 0.000 1.073 108 L CA 1.884 56.425 54.840 -0.499 0.000 0.745 108 L CB -0.346 41.259 42.059 -0.757 0.000 0.894 108 L HN 0.384 8.614 8.230 0.000 0.000 0.432 109 S N -0.256 115.297 115.700 -0.244 0.000 2.399 109 S HA -0.119 4.350 4.470 -0.001 0.000 0.231 109 S C 1.818 176.359 174.600 -0.098 0.000 1.022 109 S CA 1.102 59.216 58.200 -0.143 0.000 0.983 109 S CB -0.172 62.952 63.200 -0.128 0.000 0.803 109 S HN 0.557 8.867 8.310 0.000 0.000 0.480 110 A N 0.076 122.834 122.820 -0.102 0.000 2.238 110 A HA 0.489 4.808 4.320 -0.001 0.000 0.208 110 A C 1.604 179.164 177.584 -0.041 0.000 1.177 110 A CA 0.917 52.919 52.037 -0.059 0.000 0.804 110 A CB -0.489 18.484 19.000 -0.046 0.000 0.823 110 A HN 0.810 8.960 8.150 0.000 0.000 0.482 111 G N -2.316 106.452 108.800 -0.054 0.000 2.192 111 G HA2 0.184 4.143 3.960 -0.001 0.000 0.193 111 G HA3 0.184 4.143 3.960 -0.001 0.000 0.193 111 G C 0.422 175.316 174.900 -0.010 0.000 0.999 111 G CA 0.015 45.100 45.100 -0.025 0.000 0.659 111 G HN 1.497 9.787 8.290 0.000 0.000 0.503 112 A N 0.585 123.391 122.820 -0.024 0.000 2.561 112 A HA 0.439 4.758 4.320 -0.001 0.000 0.234 112 A C 0.490 178.099 177.584 0.043 0.000 1.055 112 A CA 0.579 52.631 52.037 0.025 0.000 0.756 112 A CB 0.156 19.172 19.000 0.026 0.000 0.986 112 A HN 0.323 8.473 8.150 0.000 0.000 0.505 113 D N 1.511 121.964 120.400 0.089 0.000 2.533 113 D HA -0.014 4.625 4.640 -0.001 0.000 0.236 113 D C 1.459 177.859 176.300 0.166 0.000 1.137 113 D CA 0.348 54.413 54.000 0.109 0.000 0.867 113 D CB 0.938 41.805 40.800 0.111 0.000 1.170 113 D HN 0.296 8.666 8.370 0.000 0.000 0.474 114 V N 3.224 123.235 119.914 0.163 0.000 2.469 114 V HA -0.286 3.833 4.120 -0.001 0.000 0.251 114 V C 2.098 178.325 176.094 0.223 0.000 1.064 114 V CA 2.628 65.081 62.300 0.255 0.000 1.066 114 V CB -0.411 31.526 31.823 0.190 0.000 0.667 114 V HN 0.718 8.908 8.190 0.000 0.000 0.461 115 S N -0.455 115.329 115.700 0.139 0.000 2.465 115 S HA -0.198 4.271 4.470 -0.001 0.000 0.241 115 S C 1.732 176.407 174.600 0.125 0.000 1.000 115 S CA 1.623 59.877 58.200 0.090 0.000 0.964 115 S CB -0.495 62.738 63.200 0.055 0.000 0.763 115 S HN 0.550 8.860 8.310 0.000 0.000 0.512 116 M N 0.766 120.499 119.600 0.221 0.000 2.619 116 M HA 0.288 4.767 4.480 -0.001 0.000 0.251 116 M C 1.832 178.320 176.300 0.313 0.000 1.106 116 M CA 0.201 55.676 55.300 0.292 0.000 1.086 116 M CB -1.271 31.574 32.600 0.407 0.000 1.465 116 M HN 0.432 8.722 8.290 0.000 0.000 0.506 117 I N 0.670 121.296 120.570 0.094 0.000 2.248 117 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 117 I C 2.156 178.177 176.117 -0.161 0.000 1.107 117 I CA 1.593 62.617 61.300 -0.460 0.000 1.373 117 I CB -0.231 37.369 38.000 -0.668 0.000 1.055 117 I HN 0.324 8.534 8.210 0.000 0.000 0.418 118 G N -0.439 108.339 108.800 -0.038 0.000 2.432 118 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.219 118 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.219 118 G C 1.449 176.353 174.900 0.006 0.000 1.135 118 G CA 0.514 45.606 45.100 -0.014 0.000 0.767 118 G HN 0.519 8.809 8.290 0.000 0.000 0.550 119 Q N -0.894 118.924 119.800 0.029 0.000 2.437 119 Q HA 0.055 4.394 4.340 -0.001 0.000 0.210 119 Q C 1.268 177.137 176.000 -0.217 0.000 0.972 119 Q CA 0.568 56.317 55.803 -0.091 0.000 0.903 119 Q CB -0.063 28.597 28.738 -0.130 0.000 0.967 119 Q HN 0.613 8.883 8.270 0.000 0.000 0.486 120 F N -1.221 118.718 119.950 -0.019 0.000 2.678 120 F HA 0.294 4.820 4.527 -0.002 0.000 0.305 120 F C 1.366 177.157 175.800 -0.016 0.000 1.090 120 F CA 0.327 58.333 58.000 0.011 0.000 1.272 120 F CB 1.002 40.051 39.000 0.082 0.000 1.060 120 F HN 0.060 8.360 8.300 0.000 0.000 0.576 121 G N 0.817 109.669 108.800 0.086 0.000 2.136 121 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.242 121 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.242 121 G C 0.560 175.502 174.900 0.069 0.000 0.989 121 G CA 0.500 45.629 45.100 0.050 0.000 0.682 121 G HN 0.643 8.933 8.290 0.000 0.000 0.522 122 V N -2.886 117.059 119.914 0.052 0.000 3.166 122 V HA 0.693 4.812 4.120 -0.001 0.000 0.332 122 V C 1.812 177.971 176.094 0.109 0.000 1.434 122 V CA 1.121 63.497 62.300 0.127 0.000 1.121 122 V CB 0.159 32.049 31.823 0.112 0.000 1.062 122 V HN 0.843 9.033 8.190 0.000 0.000 0.489 123 G N 0.437 109.243 108.800 0.010 0.000 2.509 123 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 123 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 123 G C 1.103 176.016 174.900 0.023 0.000 1.124 123 G CA 1.011 46.099 45.100 -0.021 0.000 0.776 123 G HN 0.603 8.893 8.290 0.000 0.000 0.547 124 F N 1.078 120.951 119.950 -0.129 0.000 2.115 124 F HA -0.205 4.322 4.527 -0.001 0.000 0.300 124 F C 2.155 177.795 175.800 -0.267 0.000 1.092 124 F CA 1.359 59.195 58.000 -0.273 0.000 1.245 124 F CB -0.218 38.491 39.000 -0.486 0.000 0.995 124 F HN 0.249 8.549 8.300 0.000 0.000 0.481 125 Y N 0.318 120.643 120.300 0.042 0.000 2.571 125 Y HA -0.106 4.443 4.550 -0.001 0.000 0.294 125 Y C 2.779 178.696 175.900 0.027 0.000 1.141 125 Y CA 0.847 58.992 58.100 0.074 0.000 1.308 125 Y CB -0.871 37.722 38.460 0.222 0.000 1.002 125 Y HN 0.236 8.516 8.280 0.000 0.000 0.551 126 S N 0.670 116.397 115.700 0.045 0.000 2.442 126 S HA -0.208 4.261 4.470 -0.001 0.000 0.236 126 S C 1.889 176.462 174.600 -0.044 0.000 1.007 126 S CA 1.259 59.479 58.200 0.034 0.000 0.965 126 S CB -0.988 62.225 63.200 0.022 0.000 0.773 126 S HN 0.560 8.870 8.310 0.000 0.000 0.504 127 L N -1.328 119.748 121.223 -0.246 0.000 2.187 127 L HA 0.194 4.533 4.340 -0.001 0.000 0.213 127 L C 1.905 178.497 176.870 -0.463 0.000 1.100 127 L CA 1.441 56.024 54.840 -0.428 0.000 0.765 127 L CB -1.568 40.090 42.059 -0.668 0.000 0.904 127 L HN 0.193 8.423 8.230 0.000 0.000 0.437 128 F N -0.241 119.620 119.950 -0.149 0.000 2.699 128 F HA 0.042 4.568 4.527 -0.001 0.000 0.298 128 F C 2.028 177.766 175.800 -0.103 0.000 1.154 128 F CA 0.471 58.414 58.000 -0.095 0.000 1.457 128 F CB -0.430 38.555 39.000 -0.026 0.000 1.106 128 F HN 0.086 8.386 8.300 0.000 0.000 0.585 129 L N -0.402 120.819 121.223 -0.004 0.000 2.141 129 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 129 L C 2.130 178.932 176.870 -0.114 0.000 1.094 129 L CA 1.173 55.990 54.840 -0.038 0.000 0.763 129 L CB -0.477 41.572 42.059 -0.018 0.000 0.908 129 L HN 0.211 8.441 8.230 0.000 0.000 0.437 130 V N -5.154 114.591 119.914 -0.282 0.000 3.604 130 V HA 0.523 4.643 4.120 -0.001 0.000 0.277 130 V C 0.566 176.521 176.094 -0.231 0.000 1.399 130 V CA 0.040 62.145 62.300 -0.325 0.000 1.034 130 V CB 0.105 31.481 31.823 -0.744 0.000 0.824 130 V HN 0.119 8.309 8.190 0.000 0.000 0.439 131 A N -0.081 122.616 122.820 -0.205 0.000 2.386 131 A HA 0.764 5.083 4.320 -0.001 0.000 0.311 131 A C -0.197 177.413 177.584 0.044 0.000 1.068 131 A CA -0.141 51.826 52.037 -0.116 0.000 0.743 131 A CB 1.768 20.628 19.000 -0.233 0.000 1.258 131 A HN 0.085 8.235 8.150 0.000 0.000 0.429 132 D N 0.016 120.482 120.400 0.109 0.000 2.379 132 D HA 0.150 4.790 4.640 -0.001 0.000 0.208 132 D C 0.443 176.875 176.300 0.220 0.000 1.065 132 D CA 0.742 54.852 54.000 0.183 0.000 0.848 132 D CB 0.315 41.177 40.800 0.104 0.000 0.949 132 D HN 0.557 8.927 8.370 0.000 0.000 0.509 133 R N -0.049 120.563 120.500 0.186 0.000 2.604 133 R HA 0.545 4.885 4.340 -0.001 0.000 0.270 133 R C -2.172 174.284 176.300 0.260 0.000 1.052 133 R CA -0.679 55.520 56.100 0.165 0.000 0.902 133 R CB 2.183 32.438 30.300 -0.076 0.000 1.233 133 R HN -0.137 8.133 8.270 0.000 0.000 0.455 134 V N 3.401 123.467 119.914 0.254 0.000 2.851 134 V HA 0.419 4.538 4.120 -0.001 0.000 0.307 134 V C -1.635 174.685 176.094 0.377 0.000 1.129 134 V CA -0.481 61.999 62.300 0.300 0.000 0.932 134 V CB 2.419 34.300 31.823 0.096 0.000 1.024 134 V HN 0.881 9.071 8.190 0.000 0.000 0.426 135 Q N 3.954 124.006 119.800 0.420 0.000 2.293 135 Q HA 0.682 5.022 4.340 -0.001 0.000 0.261 135 Q C -1.214 175.017 176.000 0.384 0.000 0.960 135 Q CA -0.678 55.364 55.803 0.398 0.000 0.882 135 Q CB 2.559 31.508 28.738 0.352 0.000 1.275 135 Q HN 0.653 8.923 8.270 0.000 0.000 0.445 136 V N 4.758 124.964 119.914 0.487 0.000 2.328 136 V HA 0.382 4.501 4.120 -0.001 0.000 0.278 136 V C -0.374 175.859 176.094 0.232 0.000 1.021 136 V CA -0.447 62.029 62.300 0.293 0.000 0.838 136 V CB 0.901 32.818 31.823 0.156 0.000 0.999 136 V HN 0.646 8.836 8.190 0.000 0.000 0.447 137 I N 4.150 124.812 120.570 0.154 0.000 2.321 137 I HA 0.539 4.709 4.170 -0.001 0.000 0.291 137 I C 0.218 176.384 176.117 0.081 0.000 0.998 137 I CA 0.247 61.624 61.300 0.129 0.000 1.227 137 I CB 1.697 39.759 38.000 0.104 0.000 1.368 137 I HN 0.574 8.784 8.210 0.000 0.000 0.466 138 S N 4.927 120.681 115.700 0.090 0.000 2.540 138 S HA 0.614 5.083 4.470 -0.001 0.000 0.275 138 S C -1.059 173.580 174.600 0.065 0.000 1.123 138 S CA -0.665 57.563 58.200 0.048 0.000 0.907 138 S CB 1.374 64.581 63.200 0.012 0.000 1.081 138 S HN 0.476 8.786 8.310 0.000 0.000 0.476 139 K N 2.273 122.690 120.400 0.029 0.000 2.604 139 K HA 0.498 4.817 4.320 -0.001 0.000 0.247 139 K C -0.690 175.916 176.600 0.010 0.000 0.956 139 K CA -0.280 56.026 56.287 0.032 0.000 0.896 139 K CB 1.420 33.931 32.500 0.018 0.000 1.131 139 K HN 0.461 8.711 8.250 0.000 0.000 0.440 140 S N 3.205 118.919 115.700 0.022 0.000 2.586 140 S HA 0.235 4.704 4.470 -0.001 0.000 0.274 140 S C 0.716 175.323 174.600 0.013 0.000 1.281 140 S CA -0.457 57.746 58.200 0.004 0.000 1.035 140 S CB 0.612 63.814 63.200 0.002 0.000 0.962 140 S HN 0.625 8.935 8.310 0.000 0.000 0.512 141 N N 2.795 121.496 118.700 0.002 0.000 2.334 141 N HA -0.093 4.646 4.740 -0.001 0.000 0.187 141 N C 0.470 175.989 175.510 0.015 0.000 1.016 141 N CA 1.105 54.160 53.050 0.007 0.000 0.879 141 N CB -0.199 38.289 38.487 0.002 0.000 0.965 141 N HN 0.628 9.008 8.380 0.000 0.000 0.438 142 D N -0.378 120.032 120.400 0.016 0.000 2.339 142 D HA 0.054 4.693 4.640 -0.001 0.000 0.217 142 D C -0.074 176.249 176.300 0.040 0.000 1.050 142 D CA 0.462 54.474 54.000 0.021 0.000 0.856 142 D CB 0.469 41.274 40.800 0.010 0.000 0.922 142 D HN 0.178 8.548 8.370 0.000 0.000 0.518 143 D N -0.447 119.989 120.400 0.060 0.000 2.677 143 D HA 0.113 4.752 4.640 -0.001 0.000 0.298 143 D C -0.472 175.899 176.300 0.118 0.000 1.250 143 D CA -0.457 53.610 54.000 0.112 0.000 0.888 143 D CB 1.578 42.465 40.800 0.146 0.000 1.397 143 D HN -0.342 8.028 8.370 0.000 0.000 0.461 144 E N 0.266 120.563 120.200 0.162 0.000 2.391 144 E HA 0.089 4.438 4.350 -0.001 0.000 0.255 144 E C -0.134 176.477 176.600 0.019 0.000 1.187 144 E CA -0.221 56.200 56.400 0.035 0.000 0.941 144 E CB 0.376 30.023 29.700 -0.088 0.000 1.010 144 E HN 0.329 8.689 8.360 0.000 0.000 0.458 145 Q N 0.762 120.501 119.800 -0.101 0.000 2.297 145 Q HA 0.130 4.469 4.340 -0.001 0.000 0.267 145 Q C -1.384 174.463 176.000 -0.254 0.000 1.006 145 Q CA 0.241 55.999 55.803 -0.075 0.000 0.896 145 Q CB 0.271 28.980 28.738 -0.048 0.000 1.186 145 Q HN 0.346 8.616 8.270 0.000 0.000 0.392 146 Y N 2.757 123.089 120.300 0.053 0.000 2.536 146 Y HA 0.500 5.049 4.550 -0.002 0.000 0.347 146 Y C -0.440 175.525 175.900 0.109 0.000 1.000 146 Y CA -0.930 57.219 58.100 0.080 0.000 1.051 146 Y CB 1.649 40.158 38.460 0.082 0.000 1.259 146 Y HN 0.476 8.756 8.280 0.000 0.000 0.468 147 I N 1.849 122.605 120.570 0.310 0.000 2.389 147 I HA 0.201 4.370 4.170 -0.001 0.000 0.288 147 I C -1.134 175.200 176.117 0.361 0.000 0.999 147 I CA -0.494 60.975 61.300 0.281 0.000 1.129 147 I CB 1.060 39.181 38.000 0.202 0.000 1.288 147 I HN 0.565 8.775 8.210 0.000 0.000 0.444 148 W N 7.347 128.738 121.300 0.152 0.000 2.496 148 W HA 0.580 5.238 4.660 -0.002 0.000 0.327 148 W C -0.555 176.074 176.519 0.183 0.000 1.086 148 W CA -0.291 57.147 57.345 0.154 0.000 1.222 148 W CB 1.143 30.623 29.460 0.034 0.000 1.304 148 W HN 0.491 8.671 8.180 0.000 0.000 0.547 149 E N 4.206 124.248 120.200 -0.263 0.000 2.304 149 E HA 0.421 4.770 4.350 -0.001 0.000 0.277 149 E C -1.760 174.523 176.600 -0.528 0.000 0.898 149 E CA -0.632 55.622 56.400 -0.243 0.000 0.764 149 E CB 1.947 31.633 29.700 -0.024 0.000 1.216 149 E HN 0.299 8.659 8.360 0.000 0.000 0.419 150 S N 2.656 118.144 115.700 -0.352 0.000 2.536 150 S HA 0.372 4.841 4.470 -0.001 0.000 0.287 150 S C -0.612 174.084 174.600 0.160 0.000 1.101 150 S CA -0.709 57.462 58.200 -0.048 0.000 0.950 150 S CB 0.898 64.204 63.200 0.176 0.000 1.056 150 S HN 0.632 8.942 8.310 0.000 0.000 0.481 151 N N 2.583 121.377 118.700 0.157 0.000 2.275 151 N HA 0.327 5.067 4.740 -0.001 0.000 0.236 151 N C 0.586 176.180 175.510 0.140 0.000 1.154 151 N CA 0.267 53.394 53.050 0.128 0.000 0.866 151 N CB 0.254 38.762 38.487 0.035 0.000 1.093 151 N HN 1.267 9.647 8.380 0.000 0.000 0.515 152 A N -2.071 120.843 122.820 0.157 0.000 2.979 152 A HA -0.069 4.250 4.320 -0.001 0.000 0.260 152 A C 0.837 178.344 177.584 -0.129 0.000 1.282 152 A CA 1.003 52.939 52.037 -0.168 0.000 0.971 152 A CB -2.058 16.870 19.000 -0.119 0.000 1.124 152 A HN 0.771 8.921 8.150 0.000 0.000 0.826 153 G N -2.188 106.621 108.800 0.016 0.000 2.557 153 G HA2 0.574 4.533 3.960 -0.001 0.000 0.302 153 G HA3 0.574 4.533 3.960 -0.001 0.000 0.302 153 G C 1.039 176.029 174.900 0.150 0.000 1.311 153 G CA 0.004 45.131 45.100 0.045 0.000 1.030 153 G HN 1.337 9.627 8.290 0.000 0.000 0.509 154 G N -1.010 107.888 108.800 0.163 0.000 2.848 154 G HA2 0.330 4.290 3.960 -0.001 0.000 0.208 154 G HA3 0.330 4.290 3.960 -0.001 0.000 0.208 154 G C 0.728 175.894 174.900 0.442 0.000 1.152 154 G CA 1.139 46.407 45.100 0.280 0.000 0.789 154 G HN 1.054 9.344 8.290 0.000 0.000 0.531 155 S N -0.521 115.379 115.700 0.334 0.000 2.599 155 S HA 0.820 5.290 4.470 -0.001 0.000 0.287 155 S C -0.817 173.821 174.600 0.065 0.000 1.105 155 S CA -1.074 57.178 58.200 0.086 0.000 0.899 155 S CB 2.125 65.290 63.200 -0.057 0.000 1.100 155 S HN 0.540 8.850 8.310 0.000 0.000 0.482 156 F N -0.799 118.979 119.950 -0.287 0.000 2.620 156 F HA 0.900 5.426 4.527 -0.001 0.000 0.320 156 F C -0.441 175.232 175.800 -0.212 0.000 1.069 156 F CA -0.713 57.051 58.000 -0.394 0.000 0.953 156 F CB 1.316 39.814 39.000 -0.836 0.000 1.322 156 F HN 0.789 9.089 8.300 0.000 0.000 0.479 157 T N -0.426 114.115 114.554 -0.021 0.000 2.912 157 T HA 0.806 5.156 4.350 -0.001 0.000 0.288 157 T C -1.317 173.517 174.700 0.223 0.000 1.030 157 T CA -0.808 61.327 62.100 0.059 0.000 1.020 157 T CB 1.628 70.501 68.868 0.008 0.000 1.056 157 T HN 0.723 8.963 8.240 0.000 0.000 0.480 158 V N 2.144 122.256 119.914 0.329 0.000 2.531 158 V HA 0.694 4.813 4.120 -0.001 0.000 0.301 158 V C -0.339 175.945 176.094 0.316 0.000 1.034 158 V CA -0.628 61.888 62.300 0.360 0.000 0.865 158 V CB 1.942 33.991 31.823 0.378 0.000 0.995 158 V HN 1.209 9.399 8.190 0.000 0.000 0.424 159 T N 4.947 119.704 114.554 0.337 0.000 2.921 159 T HA 0.470 4.819 4.350 -0.001 0.000 0.297 159 T C -0.653 174.221 174.700 0.290 0.000 1.013 159 T CA -0.502 61.762 62.100 0.274 0.000 0.990 159 T CB 1.787 70.748 68.868 0.155 0.000 1.023 159 T HN 0.515 8.755 8.240 0.000 0.000 0.447 160 L N 3.065 124.384 121.223 0.160 0.000 2.540 160 L HA 0.236 4.575 4.340 -0.001 0.000 0.276 160 L C 0.105 176.871 176.870 -0.173 0.000 1.212 160 L CA 0.269 54.926 54.840 -0.305 0.000 0.893 160 L CB 0.200 42.134 42.059 -0.208 0.000 1.138 160 L HN 0.564 8.794 8.230 0.000 0.000 0.491 161 D N 4.626 124.880 120.400 -0.244 0.000 2.380 161 D HA 0.136 4.775 4.640 -0.001 0.000 0.230 161 D C -0.205 176.049 176.300 -0.077 0.000 1.154 161 D CA 0.122 54.068 54.000 -0.091 0.000 0.859 161 D CB 0.545 41.312 40.800 -0.056 0.000 1.045 161 D HN 0.705 9.075 8.370 0.000 0.000 0.495 162 E N 2.408 122.585 120.200 -0.037 0.000 2.789 162 E HA 0.089 4.438 4.350 -0.001 0.000 0.208 162 E C 0.941 177.540 176.600 -0.002 0.000 0.988 162 E CA -0.050 56.335 56.400 -0.024 0.000 1.092 162 E CB 0.922 30.608 29.700 -0.023 0.000 1.066 162 E HN 0.416 8.776 8.360 0.000 0.000 0.465 163 V N -3.748 116.171 119.914 0.008 0.000 3.332 163 V HA 0.298 4.417 4.120 -0.001 0.000 0.263 163 V C 0.385 176.497 176.094 0.030 0.000 1.562 163 V CA -0.411 61.902 62.300 0.023 0.000 1.040 163 V CB 0.368 32.212 31.823 0.035 0.000 0.857 163 V HN 0.007 8.197 8.190 0.000 0.000 0.428 164 N N 2.233 120.951 118.700 0.030 0.000 2.483 164 N HA 0.332 5.071 4.740 -0.001 0.000 0.285 164 N C -0.450 175.075 175.510 0.025 0.000 1.210 164 N CA -0.287 52.784 53.050 0.035 0.000 0.931 164 N CB 1.336 39.852 38.487 0.048 0.000 1.220 164 N HN 0.713 9.093 8.380 0.000 0.000 0.542 165 E N 0.617 120.834 120.200 0.027 0.000 2.481 165 E HA -0.023 4.326 4.350 -0.001 0.000 0.263 165 E C -0.478 176.136 176.600 0.024 0.000 0.992 165 E CA -0.160 56.255 56.400 0.024 0.000 0.938 165 E CB 0.491 30.207 29.700 0.027 0.000 0.933 165 E HN 0.139 8.499 8.360 0.000 0.000 0.453 166 R N 3.168 123.679 120.500 0.019 0.000 2.458 166 R HA 0.139 4.478 4.340 -0.001 0.000 0.303 166 R C 0.290 176.608 176.300 0.031 0.000 1.013 166 R CA -0.075 56.036 56.100 0.019 0.000 1.026 166 R CB -0.529 29.779 30.300 0.014 0.000 0.948 166 R HN 0.600 8.870 8.270 0.000 0.000 0.417 167 I N -1.026 119.563 120.570 0.032 0.000 2.396 167 I HA 0.300 4.470 4.170 -0.001 0.000 0.292 167 I C 1.287 177.423 176.117 0.032 0.000 0.999 167 I CA -0.538 60.787 61.300 0.042 0.000 1.310 167 I CB 1.503 39.525 38.000 0.036 0.000 1.404 167 I HN 0.497 8.707 8.210 0.000 0.000 0.496 168 G N 5.568 114.394 108.800 0.043 0.000 2.422 168 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.218 168 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.218 168 G C 0.778 175.686 174.900 0.012 0.000 1.146 168 G CA 0.318 45.437 45.100 0.031 0.000 0.769 168 G HN 0.786 9.076 8.290 0.000 0.000 0.547 169 R N -2.028 118.470 120.500 -0.003 0.000 2.725 169 R HA 0.488 4.827 4.340 -0.001 0.000 0.254 169 R C -0.239 176.021 176.300 -0.068 0.000 1.076 169 R CA 0.298 56.380 56.100 -0.029 0.000 0.940 169 R CB 0.478 30.758 30.300 -0.034 0.000 1.260 169 R HN 0.814 9.084 8.270 0.000 0.000 0.466 170 G N 0.938 109.695 108.800 -0.071 0.000 2.297 170 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.209 170 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.209 170 G C -1.436 173.420 174.900 -0.074 0.000 1.267 170 G CA -0.267 44.767 45.100 -0.110 0.000 1.127 170 G HN 0.636 8.926 8.290 0.000 0.000 0.498 171 T N 0.218 114.722 114.554 -0.083 0.000 2.956 171 T HA 0.634 4.983 4.350 -0.001 0.000 0.312 171 T C -0.557 174.128 174.700 -0.026 0.000 1.151 171 T CA -0.344 61.728 62.100 -0.047 0.000 1.024 171 T CB 1.635 70.461 68.868 -0.070 0.000 1.140 171 T HN 0.665 8.905 8.240 0.000 0.000 0.473 172 I N 2.806 123.383 120.570 0.012 0.000 2.378 172 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 172 I C -0.933 175.212 176.117 0.047 0.000 0.992 172 I CA -0.914 60.402 61.300 0.027 0.000 1.154 172 I CB 1.530 39.554 38.000 0.040 0.000 1.315 172 I HN 0.311 8.521 8.210 0.000 0.000 0.448 173 L N 7.091 128.336 121.223 0.037 0.000 2.268 173 L HA 0.334 4.674 4.340 -0.001 0.000 0.289 173 L C 0.376 177.256 176.870 0.016 0.000 1.064 173 L CA 0.145 55.016 54.840 0.051 0.000 0.824 173 L CB 0.448 42.526 42.059 0.032 0.000 1.202 173 L HN 0.454 8.684 8.230 0.000 0.000 0.433 174 R N 5.018 125.537 120.500 0.032 0.000 2.230 174 R HA 0.439 4.778 4.340 -0.001 0.000 0.337 174 R C -1.193 175.038 176.300 -0.116 0.000 1.063 174 R CA -0.495 55.561 56.100 -0.073 0.000 0.935 174 R CB 0.284 30.547 30.300 -0.061 0.000 1.121 174 R HN 0.560 8.830 8.270 0.000 0.000 0.486 175 L N 5.636 126.750 121.223 -0.182 0.000 2.265 175 L HA 0.354 4.693 4.340 -0.001 0.000 0.288 175 L C -0.572 176.145 176.870 -0.255 0.000 1.058 175 L CA -0.573 54.172 54.840 -0.160 0.000 0.809 175 L CB 0.803 42.751 42.059 -0.185 0.000 1.179 175 L HN 0.521 8.751 8.230 0.000 0.000 0.429 176 F N 4.107 124.026 119.950 -0.053 0.000 2.368 176 F HA 0.322 4.848 4.527 -0.001 0.000 0.362 176 F C 0.463 176.235 175.800 -0.046 0.000 1.137 176 F CA -0.379 57.605 58.000 -0.026 0.000 1.161 176 F CB 0.358 39.358 39.000 -0.000 0.000 1.265 176 F HN 0.271 8.571 8.300 0.000 0.000 0.530 177 L N 4.019 125.270 121.223 0.046 0.000 2.456 177 L HA 0.158 4.497 4.340 -0.001 0.000 0.272 177 L C 0.602 177.498 176.870 0.044 0.000 1.189 177 L CA -0.435 54.408 54.840 0.004 0.000 0.846 177 L CB 0.419 42.475 42.059 -0.004 0.000 1.111 177 L HN 0.497 8.727 8.230 0.000 0.000 0.475 178 K N 1.768 122.182 120.400 0.023 0.000 2.355 178 K HA -0.020 4.299 4.320 -0.001 0.000 0.270 178 K C 0.474 177.096 176.600 0.036 0.000 1.003 178 K CA -0.557 55.751 56.287 0.034 0.000 0.957 178 K CB 0.637 33.151 32.500 0.024 0.000 0.939 178 K HN 0.486 8.736 8.250 0.000 0.000 0.482 179 D N 1.926 122.347 120.400 0.036 0.000 2.228 179 D HA -0.175 4.464 4.640 -0.001 0.000 0.203 179 D C 1.047 177.363 176.300 0.026 0.000 0.988 179 D CA 1.437 55.456 54.000 0.031 0.000 0.864 179 D CB -0.013 40.804 40.800 0.028 0.000 0.928 179 D HN 0.619 8.989 8.370 0.000 0.000 0.469 180 D N -0.456 119.961 120.400 0.029 0.000 2.328 180 D HA -0.069 4.570 4.640 -0.001 0.000 0.221 180 D C 0.761 177.081 176.300 0.033 0.000 1.072 180 D CA 0.217 54.233 54.000 0.027 0.000 0.850 180 D CB 0.033 40.852 40.800 0.032 0.000 0.922 180 D HN 0.043 8.413 8.370 0.000 0.000 0.516 181 Q N 0.241 120.070 119.800 0.047 0.000 2.135 181 Q HA 0.276 4.615 4.340 -0.001 0.000 0.231 181 Q C 1.541 177.594 176.000 0.088 0.000 0.817 181 Q CA -0.110 55.753 55.803 0.100 0.000 1.073 181 Q CB 0.999 29.820 28.738 0.140 0.000 1.176 181 Q HN 0.354 8.624 8.270 0.000 0.000 0.478 182 L N 0.664 121.897 121.223 0.018 0.000 2.552 182 L HA -0.091 4.249 4.340 -0.001 0.000 0.227 182 L C 2.207 179.050 176.870 -0.045 0.000 1.146 182 L CA 0.755 55.601 54.840 0.009 0.000 0.858 182 L CB -0.270 41.793 42.059 0.007 0.000 0.969 182 L HN 0.334 8.564 8.230 0.000 0.000 0.451 183 E N 0.443 120.552 120.200 -0.152 0.000 2.219 183 E HA -0.278 4.071 4.350 -0.001 0.000 0.198 183 E C 1.358 177.791 176.600 -0.278 0.000 0.998 183 E CA 1.587 57.829 56.400 -0.263 0.000 0.818 183 E CB -0.508 28.944 29.700 -0.413 0.000 0.741 183 E HN 0.567 8.927 8.360 0.000 0.000 0.477 184 Y N 0.661 120.997 120.300 0.061 0.000 2.578 184 Y HA 0.116 4.667 4.550 0.002 0.000 0.297 184 Y C 1.677 177.619 175.900 0.070 0.000 1.176 184 Y CA 0.109 58.271 58.100 0.102 0.000 1.315 184 Y CB 0.127 38.695 38.460 0.180 0.000 1.031 184 Y HN 0.033 8.313 8.280 0.000 0.000 0.524 185 L N -0.490 120.799 121.223 0.110 0.000 2.529 185 L HA 0.071 4.410 4.340 -0.001 0.000 0.223 185 L C 0.327 177.224 176.870 0.046 0.000 1.113 185 L CA 0.284 55.166 54.840 0.070 0.000 0.861 185 L CB 0.019 42.100 42.059 0.037 0.000 1.012 185 L HN 0.090 8.320 8.230 0.000 0.000 0.461 186 E N 0.760 120.978 120.200 0.030 0.000 2.259 186 E HA -0.027 4.323 4.350 -0.001 0.000 0.281 186 E C 0.634 177.251 176.600 0.027 0.000 1.037 186 E CA -0.134 56.274 56.400 0.013 0.000 0.854 186 E CB 1.324 31.014 29.700 -0.016 0.000 1.051 186 E HN 0.109 8.469 8.360 0.000 0.000 0.409 187 E N 3.936 124.148 120.200 0.020 0.000 2.070 187 E HA -0.333 4.016 4.350 -0.001 0.000 0.197 187 E C 1.768 178.380 176.600 0.021 0.000 1.004 187 E CA 1.815 58.227 56.400 0.021 0.000 0.805 187 E CB 0.160 29.867 29.700 0.012 0.000 0.744 187 E HN 0.403 8.763 8.360 0.000 0.000 0.451 188 K N 0.188 120.595 120.400 0.012 0.000 2.057 188 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 188 K C 2.308 178.918 176.600 0.017 0.000 1.050 188 K CA 1.370 57.663 56.287 0.009 0.000 0.935 188 K CB -0.111 32.389 32.500 0.001 0.000 0.715 188 K HN -0.102 8.148 8.250 0.000 0.000 0.439 189 R N 1.185 121.696 120.500 0.018 0.000 2.073 189 R HA 0.008 4.348 4.340 -0.001 0.000 0.234 189 R C 1.979 178.334 176.300 0.091 0.000 1.134 189 R CA 1.719 57.839 56.100 0.033 0.000 0.952 189 R CB -0.675 29.610 30.300 -0.025 0.000 0.850 189 R HN 0.366 8.636 8.270 0.000 0.000 0.433 190 I N 0.635 121.266 120.570 0.101 0.000 2.127 190 I HA -0.320 3.849 4.170 -0.001 0.000 0.241 190 I C 2.252 178.403 176.117 0.056 0.000 1.075 190 I CA 1.668 63.031 61.300 0.105 0.000 1.334 190 I CB -0.309 37.744 38.000 0.090 0.000 1.040 190 I HN 0.166 8.376 8.210 0.000 0.000 0.405 191 K N 0.622 121.044 120.400 0.037 0.000 2.044 191 K HA -0.249 4.071 4.320 -0.001 0.000 0.210 191 K C 2.061 178.669 176.600 0.014 0.000 1.049 191 K CA 1.877 58.174 56.287 0.017 0.000 0.927 191 K CB -0.259 32.246 32.500 0.009 0.000 0.713 191 K HN 0.379 8.629 8.250 0.000 0.000 0.443 192 E N 0.275 120.490 120.200 0.024 0.000 2.070 192 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 192 E C 2.049 178.673 176.600 0.040 0.000 1.004 192 E CA 1.499 57.914 56.400 0.024 0.000 0.805 192 E CB -0.044 29.678 29.700 0.036 0.000 0.744 192 E HN 0.057 8.417 8.360 0.000 0.000 0.451 193 V N 1.156 121.118 119.914 0.081 0.000 2.358 193 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 193 V C 2.200 178.339 176.094 0.075 0.000 1.047 193 V CA 1.386 63.760 62.300 0.123 0.000 1.035 193 V CB -0.340 31.554 31.823 0.120 0.000 0.658 193 V HN 0.260 8.450 8.190 0.000 0.000 0.452 194 I N -0.333 120.248 120.570 0.019 0.000 2.142 194 I HA -0.263 3.906 4.170 -0.001 0.000 0.240 194 I C 2.570 178.670 176.117 -0.029 0.000 1.078 194 I CA 1.715 63.009 61.300 -0.009 0.000 1.343 194 I CB -0.384 37.607 38.000 -0.014 0.000 1.046 194 I HN 0.245 8.455 8.210 0.000 0.000 0.405 195 K N 0.468 120.843 120.400 -0.041 0.000 2.057 195 K HA -0.155 4.164 4.320 -0.001 0.000 0.207 195 K C 2.267 178.794 176.600 -0.122 0.000 1.049 195 K CA 1.360 57.601 56.287 -0.077 0.000 0.931 195 K CB -0.152 32.311 32.500 -0.062 0.000 0.714 195 K HN 0.274 8.524 8.250 0.000 0.000 0.440 196 R N -0.388 120.028 120.500 -0.141 0.000 2.092 196 R HA -0.063 4.276 4.340 -0.001 0.000 0.231 196 R C 1.653 177.674 176.300 -0.466 0.000 1.119 196 R CA 1.093 57.000 56.100 -0.321 0.000 0.970 196 R CB -0.063 30.004 30.300 -0.389 0.000 0.864 196 R HN 0.384 8.654 8.270 0.000 0.000 0.440 197 H N -1.984 117.066 119.070 -0.033 0.000 3.170 197 H HA 0.299 4.854 4.556 -0.002 0.000 0.264 197 H C 0.211 175.524 175.328 -0.024 0.000 1.113 197 H CA 0.100 56.134 56.048 -0.022 0.000 1.194 197 H CB 1.229 30.973 29.762 -0.030 0.000 1.553 197 H HN -0.036 8.244 8.280 0.000 0.000 0.538 198 S N 0.858 116.577 115.700 0.033 0.000 2.558 198 S HA 0.058 4.527 4.470 -0.001 0.000 0.238 198 S C 1.326 175.894 174.600 -0.053 0.000 1.183 198 S CA -0.294 57.914 58.200 0.014 0.000 1.185 198 S CB 1.174 64.376 63.200 0.004 0.000 1.003 198 S HN 0.359 8.669 8.310 0.000 0.000 0.478 199 E N 0.879 120.991 120.200 -0.146 0.000 2.208 199 E HA -0.013 4.336 4.350 -0.001 0.000 0.193 199 E C -0.649 175.649 176.600 -0.504 0.000 0.988 199 E CA 0.907 57.075 56.400 -0.388 0.000 0.828 199 E CB 0.190 29.511 29.700 -0.632 0.000 0.763 199 E HN 0.522 8.882 8.360 0.000 0.000 0.478 200 F N 1.133 121.078 119.950 -0.008 0.000 2.344 200 F HA 0.280 4.807 4.527 0.000 0.000 0.344 200 F C -0.670 175.122 175.800 -0.014 0.000 1.140 200 F CA -0.680 57.311 58.000 -0.015 0.000 1.256 200 F CB 1.182 40.173 39.000 -0.015 0.000 1.573 200 F HN -0.287 8.014 8.300 0.000 0.000 0.547 201 V N 1.481 121.445 119.914 0.083 0.000 2.487 201 V HA 0.462 4.581 4.120 -0.001 0.000 0.298 201 V C 0.660 176.745 176.094 -0.016 0.000 1.028 201 V CA -0.621 61.717 62.300 0.064 0.000 0.860 201 V CB 1.704 33.575 31.823 0.079 0.000 0.991 201 V HN 0.620 8.810 8.190 0.000 0.000 0.427 202 A N 3.932 126.661 122.820 -0.153 0.000 2.208 202 A HA 0.239 4.558 4.320 -0.001 0.000 0.209 202 A C 0.342 177.581 177.584 -0.575 0.000 1.161 202 A CA 0.786 52.586 52.037 -0.395 0.000 0.782 202 A CB -0.168 18.499 19.000 -0.555 0.000 0.816 202 A HN 0.713 8.863 8.150 0.000 0.000 0.477 203 Y N -0.336 119.983 120.300 0.031 0.000 2.509 203 Y HA 0.486 5.035 4.550 -0.002 0.000 0.341 203 Y C -2.183 173.745 175.900 0.045 0.000 1.038 203 Y CA -2.967 55.155 58.100 0.037 0.000 1.089 203 Y CB 0.884 39.360 38.460 0.026 0.000 1.241 203 Y HN -0.021 8.259 8.280 0.000 0.000 0.468 204 P HA 0.163 4.583 4.420 0.000 0.000 0.268 204 P C -0.737 176.660 177.300 0.163 0.000 1.204 204 P CA 0.357 63.547 63.100 0.150 0.000 0.768 204 P CB 0.798 32.582 31.700 0.141 0.000 0.842 205 I N 3.166 123.798 120.570 0.104 0.000 2.354 205 I HA 0.213 4.382 4.170 -0.001 0.000 0.286 205 I C 0.518 176.674 176.117 0.066 0.000 1.007 205 I CA -0.472 60.883 61.300 0.091 0.000 1.167 205 I CB 0.929 38.963 38.000 0.057 0.000 1.320 205 I HN 0.178 8.388 8.210 0.000 0.000 0.458 206 Q N 5.589 125.435 119.800 0.077 0.000 2.271 206 Q HA 0.549 4.888 4.340 -0.001 0.000 0.258 206 Q C -1.087 174.930 176.000 0.029 0.000 0.936 206 Q CA -0.854 54.969 55.803 0.034 0.000 0.909 206 Q CB 2.844 31.582 28.738 -0.000 0.000 1.253 206 Q HN 0.412 8.682 8.270 0.000 0.000 0.440 207 L N 3.104 124.335 121.223 0.013 0.000 2.313 207 L HA 0.420 4.760 4.340 -0.001 0.000 0.283 207 L C -1.262 175.609 176.870 0.003 0.000 1.013 207 L CA -0.635 54.214 54.840 0.014 0.000 0.816 207 L CB 1.804 43.872 42.059 0.015 0.000 1.236 207 L HN 0.409 8.639 8.230 0.000 0.000 0.419 208 V N 6.239 126.156 119.914 0.005 0.000 2.364 208 V HA 0.438 4.558 4.120 -0.001 0.000 0.272 208 V C -0.198 175.896 176.094 0.001 0.000 1.036 208 V CA -0.526 61.772 62.300 -0.004 0.000 0.880 208 V CB 1.361 33.181 31.823 -0.005 0.000 0.991 208 V HN 0.527 8.717 8.190 0.000 0.000 0.460 209 V N 4.327 124.239 119.914 -0.002 0.000 2.448 209 V HA 0.449 4.568 4.120 -0.001 0.000 0.295 209 V C 0.209 176.302 176.094 -0.002 0.000 1.025 209 V CA -0.298 62.002 62.300 0.000 0.000 0.859 209 V CB 2.238 34.060 31.823 -0.001 0.000 0.988 209 V HN 0.901 9.091 8.190 0.000 0.000 0.431 210 T N 6.201 120.755 114.554 -0.000 0.000 2.772 210 T HA 0.554 4.903 4.350 -0.001 0.000 0.288 210 T C -0.495 174.205 174.700 -0.001 0.000 0.994 210 T CA -0.677 61.422 62.100 -0.002 0.000 0.951 210 T CB 0.629 69.497 68.868 -0.001 0.000 0.933 210 T HN 0.686 8.926 8.240 0.000 0.000 0.447 211 K N 2.021 122.420 120.400 -0.002 0.000 2.426 211 K HA 0.479 4.798 4.320 -0.001 0.000 0.251 211 K C -0.608 175.991 176.600 -0.002 0.000 0.941 211 K CA -1.039 55.248 56.287 -0.001 0.000 0.808 211 K CB 2.412 34.910 32.500 -0.002 0.000 1.265 211 K HN 0.472 8.722 8.250 0.000 0.000 0.432 212 E N 1.887 122.086 120.200 -0.001 0.000 2.344 212 E HA 0.087 4.437 4.350 -0.001 0.000 0.270 212 E C -0.711 175.888 176.600 -0.001 0.000 1.021 212 E CA -0.527 55.873 56.400 -0.001 0.000 0.887 212 E CB 0.903 30.603 29.700 0.000 0.000 0.997 212 E HN 0.268 8.628 8.360 0.000 0.000 0.429 213 V N 5.622 125.535 119.914 -0.002 0.000 2.508 213 V HA 0.002 4.121 4.120 -0.001 0.000 0.281 213 V C 0.681 176.775 176.094 -0.002 0.000 1.041 213 V CA -0.222 62.077 62.300 -0.002 0.000 1.016 213 V CB 0.992 32.814 31.823 -0.002 0.000 0.984 213 V HN 0.747 8.937 8.190 0.000 0.000 0.478 214 E N 0.000 120.199 120.200 -0.002 0.000 2.725 214 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 214 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 214 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 214 E HN 0.000 8.360 8.360 0.000 0.000 0.440