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 3mka_1_2 DATA FIRST_RESID -38 DATA SEQUENCE VDLSSFTDFL RRQAPELLPX XXXXXXXXXX XXXQLPHGXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA TIVALKYPGG DATA SEQUENCE VVMAGDRRST QGNMISGRDV RKVYITDDYT ATGIAGTAAV AVEFARLYAV DATA SEQUENCE ELEHYEKLEG VPLTFAGKIN RLAIMVRGNL AAAMQGLLAL PLLAGYDIHA DATA SEQUENCE SDPQSAGRIV SFDAAGGWNI EEEGYQAVGS GSLFAKSSMK KLYSQVTDGD DATA SEQUENCE SGLRVAVEAL YDAADDDSAT GGPDLVRGIF PTAVIIDADG AVDVPESRIA DATA SEQUENCE ELARAIIESR S 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 -38 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 -38 V C 0.000 176.120 176.094 0.043 0.000 1.182 -38 V CA 0.000 62.319 62.300 0.031 0.000 1.235 -38 V CB 0.000 31.840 31.823 0.029 0.000 1.184 -37 D N 4.713 125.142 120.400 0.047 0.000 2.317 -37 D HA 0.474 5.113 4.640 -0.002 0.000 0.252 -37 D C 0.579 176.924 176.300 0.074 0.000 1.174 -37 D CA -0.074 53.964 54.000 0.063 0.000 0.866 -37 D CB 1.731 42.562 40.800 0.052 0.000 1.127 -37 D HN 0.461 8.831 8.370 -0.000 0.000 0.467 -36 L N 2.029 123.311 121.223 0.098 0.000 2.607 -36 L HA 0.183 4.522 4.340 -0.002 0.000 0.228 -36 L C 0.993 177.975 176.870 0.187 0.000 1.123 -36 L CA 0.191 55.106 54.840 0.126 0.000 0.890 -36 L CB -0.574 41.548 42.059 0.105 0.000 1.103 -36 L HN 0.473 8.703 8.230 -0.000 0.000 0.468 -35 S N -0.444 115.350 115.700 0.157 0.000 3.682 -35 S HA -0.184 4.285 4.470 -0.002 0.000 0.354 -35 S C 0.502 175.301 174.600 0.331 0.000 1.034 -35 S CA 0.932 59.233 58.200 0.167 0.000 1.084 -35 S CB -1.249 61.977 63.200 0.043 0.000 0.903 -35 S HN 0.511 8.821 8.310 -0.000 0.000 0.470 -34 S N -0.297 115.578 115.700 0.292 0.000 2.478 -34 S HA 0.665 5.134 4.470 -0.002 0.000 0.312 -34 S C 0.519 175.243 174.600 0.208 0.000 1.094 -34 S CA -0.743 57.615 58.200 0.262 0.000 1.081 -34 S CB 0.762 64.050 63.200 0.147 0.000 1.007 -34 S HN 0.319 8.629 8.310 -0.000 0.000 0.475 -33 F N 4.773 124.649 119.950 -0.123 0.000 2.134 -33 F HA -0.061 4.465 4.527 -0.002 0.000 0.299 -33 F C 2.473 178.229 175.800 -0.074 0.000 1.097 -33 F CA 2.521 60.286 58.000 -0.391 0.000 1.264 -33 F CB -0.902 37.724 39.000 -0.625 0.000 1.001 -33 F HN 0.764 9.064 8.300 -0.000 0.000 0.479 -32 T N -2.372 112.096 114.554 -0.144 0.000 2.746 -32 T HA -0.218 4.131 4.350 -0.002 0.000 0.267 -32 T C 1.733 176.341 174.700 -0.154 0.000 1.039 -32 T CA 1.491 63.464 62.100 -0.211 0.000 1.142 -32 T CB -0.825 67.980 68.868 -0.106 0.000 0.866 -32 T HN 0.326 8.566 8.240 -0.000 0.000 0.444 -31 D N 0.588 120.959 120.400 -0.048 0.000 2.117 -31 D HA -0.091 4.548 4.640 -0.002 0.000 0.197 -31 D C 1.679 177.967 176.300 -0.019 0.000 0.987 -31 D CA 0.727 54.717 54.000 -0.017 0.000 0.829 -31 D CB -0.512 40.313 40.800 0.041 0.000 0.961 -31 D HN 0.422 8.792 8.370 -0.000 0.000 0.460 -30 F N 0.543 120.412 119.950 -0.135 0.000 2.171 -30 F HA -0.054 4.472 4.527 -0.002 0.000 0.300 -30 F C 1.967 177.646 175.800 -0.203 0.000 1.090 -30 F CA 1.072 58.997 58.000 -0.125 0.000 1.293 -30 F CB -0.179 38.777 39.000 -0.073 0.000 1.013 -30 F HN -0.018 8.282 8.300 -0.000 0.000 0.486 -29 L N 0.099 121.159 121.223 -0.272 0.000 2.046 -29 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 -29 L C 2.675 179.367 176.870 -0.297 0.000 1.077 -29 L CA 1.448 56.070 54.840 -0.362 0.000 0.747 -29 L CB -0.539 41.256 42.059 -0.440 0.000 0.896 -29 L HN 0.121 8.351 8.230 -0.000 0.000 0.432 -28 R N -0.286 120.077 120.500 -0.228 0.000 2.081 -28 R HA -0.141 4.198 4.340 -0.002 0.000 0.235 -28 R C 2.366 178.556 176.300 -0.183 0.000 1.131 -28 R CA 1.237 57.236 56.100 -0.168 0.000 0.960 -28 R CB -0.298 29.931 30.300 -0.118 0.000 0.856 -28 R HN 0.437 8.707 8.270 -0.000 0.000 0.436 -27 R N 0.365 120.730 120.500 -0.225 0.000 2.075 -27 R HA -0.090 4.249 4.340 -0.002 0.000 0.232 -27 R C 2.138 178.271 176.300 -0.278 0.000 1.126 -27 R CA 1.054 57.020 56.100 -0.223 0.000 0.963 -27 R CB -0.126 30.050 30.300 -0.207 0.000 0.858 -27 R HN 0.307 8.577 8.270 -0.000 0.000 0.435 -26 Q N -0.124 119.411 119.800 -0.443 0.000 2.387 -26 Q HA 0.218 4.557 4.340 -0.002 0.000 0.208 -26 Q C 0.454 176.301 176.000 -0.255 0.000 0.935 -26 Q CA 0.784 56.350 55.803 -0.395 0.000 0.891 -26 Q CB 0.723 29.075 28.738 -0.643 0.000 1.007 -26 Q HN 0.220 8.490 8.270 -0.000 0.000 0.548 -25 A N 1.979 124.644 122.820 -0.259 0.000 3.030 -25 A HA 0.460 4.779 4.320 -0.002 0.000 0.335 -25 A C -2.149 175.356 177.584 -0.131 0.000 1.089 -25 A CA -1.173 50.777 52.037 -0.145 0.000 0.807 -25 A CB 0.712 19.660 19.000 -0.087 0.000 1.099 -25 A HN -0.086 8.064 8.150 -0.000 0.000 0.474 -24 P HA -0.159 4.261 4.420 -0.000 0.000 0.217 -24 P C 1.522 178.784 177.300 -0.063 0.000 1.150 -24 P CA 0.918 63.962 63.100 -0.094 0.000 0.832 -24 P CB 0.384 32.037 31.700 -0.078 0.000 0.787 -23 E N -0.158 120.013 120.200 -0.048 0.000 2.169 -23 E HA -0.204 4.145 4.350 -0.002 0.000 0.202 -23 E C 1.917 178.506 176.600 -0.018 0.000 1.016 -23 E CA 1.150 57.534 56.400 -0.026 0.000 0.817 -23 E CB -0.764 28.925 29.700 -0.018 0.000 0.736 -23 E HN 0.259 8.619 8.360 -0.000 0.000 0.462 -22 L N 0.289 121.496 121.223 -0.028 0.000 2.083 -22 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 -22 L C 1.352 178.213 176.870 -0.015 0.000 1.083 -22 L CA 0.336 55.169 54.840 -0.012 0.000 0.752 -22 L CB -0.330 41.720 42.059 -0.015 0.000 0.899 -22 L HN 0.057 8.287 8.230 -0.000 0.000 0.433 -21 L N 1.084 122.281 121.223 -0.044 0.000 2.485 -21 L HA 0.081 4.420 4.340 -0.002 0.000 0.275 -21 L C -1.711 175.161 176.870 0.004 0.000 1.207 -21 L CA -1.174 53.644 54.840 -0.036 0.000 0.855 -21 L CB -0.134 41.889 42.059 -0.060 0.000 1.114 -21 L HN -0.013 8.217 8.230 -0.000 0.000 0.485 -4 L N 2.452 123.742 121.223 0.112 0.000 2.397 -4 L HA 0.454 4.793 4.340 -0.002 0.000 0.271 -4 L C -2.097 174.845 176.870 0.119 0.000 1.148 -4 L CA -1.696 53.199 54.840 0.091 0.000 0.825 -4 L CB 0.328 42.434 42.059 0.078 0.000 1.117 -4 L HN -0.075 8.155 8.230 -0.000 0.000 0.456 -3 P HA 0.192 4.612 4.420 -0.000 0.000 0.265 -3 P C -1.560 175.747 177.300 0.012 0.000 1.193 -3 P CA 0.409 63.475 63.100 -0.057 0.000 0.765 -3 P CB 0.431 32.110 31.700 -0.034 0.000 0.823 -2 H N 0.609 119.676 119.070 -0.005 0.000 2.918 -2 H HA 0.777 5.332 4.556 -0.001 0.000 0.303 -2 H C -0.096 175.229 175.328 -0.004 0.000 1.380 -2 H CA -0.714 55.329 56.048 -0.008 0.000 1.134 -2 H CB 0.433 30.187 29.762 -0.013 0.000 1.842 -2 H HN 0.759 9.039 8.280 -0.000 0.000 0.533 302 T N 1.242 115.826 114.554 0.050 0.000 2.881 302 T HA 0.654 5.003 4.350 -0.002 0.000 0.291 302 T C -0.833 173.902 174.700 0.058 0.000 0.990 302 T CA -0.016 62.120 62.100 0.060 0.000 0.976 302 T CB 0.514 69.426 68.868 0.074 0.000 0.970 302 T HN 0.514 8.754 8.240 -0.000 0.000 0.438 303 I N 3.540 124.146 120.570 0.061 0.000 2.498 303 I HA 0.638 4.807 4.170 -0.002 0.000 0.290 303 I C -0.237 175.927 176.117 0.079 0.000 1.032 303 I CA -1.218 60.122 61.300 0.066 0.000 1.073 303 I CB 2.038 40.076 38.000 0.062 0.000 1.251 303 I HN 0.398 8.608 8.210 -0.000 0.000 0.426 304 V N 2.549 122.515 119.914 0.087 0.000 2.960 304 V HA 1.050 5.168 4.120 -0.002 0.000 0.315 304 V C -0.498 175.664 176.094 0.114 0.000 1.087 304 V CA -0.593 61.769 62.300 0.102 0.000 0.982 304 V CB 1.784 33.669 31.823 0.103 0.000 1.039 304 V HN 0.873 9.063 8.190 -0.000 0.000 0.437 305 A N 3.381 126.279 122.820 0.130 0.000 2.547 305 A HA 0.949 5.268 4.320 -0.002 0.000 0.297 305 A C -1.251 176.429 177.584 0.160 0.000 1.056 305 A CA -0.496 51.626 52.037 0.141 0.000 0.688 305 A CB 1.670 20.749 19.000 0.131 0.000 1.282 305 A HN 2.222 10.372 8.150 -0.000 0.000 0.400 306 L N -1.401 119.935 121.223 0.188 0.000 2.540 306 L HA 0.769 5.108 4.340 -0.002 0.000 0.256 306 L C -0.795 176.223 176.870 0.248 0.000 1.001 306 L CA -0.907 54.066 54.840 0.222 0.000 0.843 306 L CB 1.428 43.662 42.059 0.293 0.000 1.436 306 L HN 0.508 8.738 8.230 -0.000 0.000 0.410 307 K N 1.152 121.706 120.400 0.258 0.000 2.183 307 K HA 0.623 4.942 4.320 -0.002 0.000 0.274 307 K C -1.507 175.279 176.600 0.311 0.000 1.009 307 K CA -0.543 55.862 56.287 0.196 0.000 0.888 307 K CB 1.414 33.985 32.500 0.118 0.000 1.078 307 K HN 0.722 8.972 8.250 -0.000 0.000 0.459 308 Y N -0.009 120.393 120.300 0.169 0.000 2.570 308 Y HA 0.559 5.108 4.550 -0.002 0.000 0.345 308 Y C -2.930 173.026 175.900 0.092 0.000 1.014 308 Y CA -3.818 54.349 58.100 0.112 0.000 1.063 308 Y CB 0.499 39.011 38.460 0.086 0.000 1.272 308 Y HN 0.398 8.678 8.280 -0.000 0.000 0.477 309 P HA 0.176 4.596 4.420 -0.000 0.000 0.263 309 P C 0.698 178.031 177.300 0.055 0.000 1.195 309 P CA 1.978 65.134 63.100 0.094 0.000 0.762 309 P CB 0.688 32.465 31.700 0.129 0.000 0.799 310 G N 1.947 110.729 108.800 -0.029 0.000 2.162 310 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.260 310 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.260 310 G C 0.386 175.219 174.900 -0.112 0.000 0.976 310 G CA -0.147 44.980 45.100 0.045 0.000 0.655 310 G HN 0.965 9.255 8.290 -0.000 0.000 0.533 311 G N -2.369 105.989 108.800 -0.737 0.000 2.623 311 G HA2 0.701 4.660 3.960 -0.002 0.000 0.290 311 G HA3 0.701 4.660 3.960 -0.002 0.000 0.290 311 G C -1.579 172.801 174.900 -0.866 0.000 1.437 311 G CA 0.208 44.656 45.100 -1.087 0.000 0.798 311 G HN 1.266 9.556 8.290 -0.000 0.000 0.488 312 V N -0.489 119.296 119.914 -0.215 0.000 2.876 312 V HA 0.850 4.969 4.120 -0.002 0.000 0.312 312 V C -0.941 175.298 176.094 0.243 0.000 1.085 312 V CA -0.718 61.613 62.300 0.052 0.000 0.945 312 V CB 1.975 33.846 31.823 0.080 0.000 1.017 312 V HN 1.268 9.458 8.190 -0.000 0.000 0.428 313 V N 7.114 127.191 119.914 0.273 0.000 2.925 313 V HA 0.792 4.911 4.120 -0.002 0.000 0.311 313 V C -0.936 175.265 176.094 0.178 0.000 1.104 313 V CA -0.548 61.896 62.300 0.240 0.000 0.954 313 V CB 1.987 33.957 31.823 0.245 0.000 1.022 313 V HN 1.025 9.215 8.190 -0.000 0.000 0.427 314 M N 5.987 125.673 119.600 0.142 0.000 2.386 314 M HA 0.902 5.381 4.480 -0.002 0.000 0.293 314 M C -1.233 175.122 176.300 0.093 0.000 1.120 314 M CA -0.257 55.115 55.300 0.121 0.000 0.909 314 M CB 1.934 34.608 32.600 0.123 0.000 1.661 314 M HN 1.074 9.364 8.290 -0.000 0.000 0.452 315 A N 2.754 125.625 122.820 0.085 0.000 2.539 315 A HA 0.995 5.314 4.320 -0.002 0.000 0.296 315 A C -0.943 176.675 177.584 0.058 0.000 1.073 315 A CA -0.356 51.720 52.037 0.066 0.000 0.700 315 A CB 1.943 20.987 19.000 0.074 0.000 1.296 315 A HN 1.037 9.187 8.150 -0.000 0.000 0.405 316 G N 0.453 109.277 108.800 0.041 0.000 2.690 316 G HA2 0.584 4.543 3.960 -0.002 0.000 0.293 316 G HA3 0.584 4.543 3.960 -0.002 0.000 0.293 316 G C -1.095 173.824 174.900 0.031 0.000 1.399 316 G CA -0.176 44.944 45.100 0.033 0.000 0.890 316 G HN 0.916 9.206 8.290 -0.000 0.000 0.485 317 D N -0.650 119.769 120.400 0.031 0.000 2.447 317 D HA 0.261 4.900 4.640 -0.002 0.000 0.265 317 D C 0.042 176.346 176.300 0.008 0.000 1.250 317 D CA -0.556 53.459 54.000 0.025 0.000 1.046 317 D CB 1.439 42.253 40.800 0.023 0.000 1.095 317 D HN 0.263 8.633 8.370 -0.000 0.000 0.555 318 R N -0.782 119.717 120.500 -0.002 0.000 2.509 318 R HA 0.150 4.489 4.340 -0.002 0.000 0.297 318 R C 0.759 177.049 176.300 -0.017 0.000 0.951 318 R CA -0.432 55.661 56.100 -0.011 0.000 1.103 318 R CB 0.110 30.399 30.300 -0.017 0.000 1.283 318 R HN 0.481 8.751 8.270 -0.000 0.000 0.534 319 R N 0.790 121.279 120.500 -0.019 0.000 2.531 319 R HA 0.313 4.652 4.340 -0.002 0.000 0.273 319 R C -0.694 175.589 176.300 -0.028 0.000 1.070 319 R CA 0.109 56.193 56.100 -0.027 0.000 1.112 319 R CB 0.974 31.254 30.300 -0.032 0.000 1.049 319 R HN -0.092 8.178 8.270 -0.000 0.000 0.508 320 S N 0.984 116.657 115.700 -0.044 0.000 2.575 320 S HA 0.439 4.908 4.470 -0.002 0.000 0.278 320 S C -1.435 173.104 174.600 -0.102 0.000 1.139 320 S CA -0.610 57.553 58.200 -0.063 0.000 0.954 320 S CB 1.481 64.655 63.200 -0.043 0.000 1.054 320 S HN 0.740 9.050 8.310 -0.000 0.000 0.483 321 T N 1.807 116.251 114.554 -0.184 0.000 2.907 321 T HA 0.637 4.986 4.350 -0.002 0.000 0.292 321 T C -1.101 173.396 174.700 -0.338 0.000 1.043 321 T CA -0.823 61.151 62.100 -0.211 0.000 1.003 321 T CB 1.729 70.493 68.868 -0.172 0.000 1.084 321 T HN 0.529 8.769 8.240 -0.000 0.000 0.483 322 Q N 1.149 120.828 119.800 -0.201 0.000 2.464 322 Q HA 0.511 4.850 4.340 -0.002 0.000 0.256 322 Q C 0.733 176.685 176.000 -0.079 0.000 1.020 322 Q CA -0.218 55.493 55.803 -0.153 0.000 0.716 322 Q CB 1.223 29.916 28.738 -0.075 0.000 1.230 322 Q HN 1.311 9.581 8.270 -0.000 0.000 0.494 323 G N 2.978 111.752 108.800 -0.044 0.000 2.536 323 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.280 323 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.280 323 G C 0.517 175.407 174.900 -0.016 0.000 1.152 323 G CA 0.224 45.329 45.100 0.009 0.000 0.970 323 G HN 0.585 8.875 8.290 -0.000 0.000 0.549 324 N N 0.637 119.329 118.700 -0.013 0.000 2.392 324 N HA 0.159 4.898 4.740 -0.002 0.000 0.177 324 N C 1.200 176.692 175.510 -0.031 0.000 1.066 324 N CA 0.428 53.467 53.050 -0.018 0.000 0.895 324 N CB -0.050 38.431 38.487 -0.009 0.000 0.988 324 N HN 0.543 8.923 8.380 -0.000 0.000 0.457 325 M N 0.942 120.521 119.600 -0.035 0.000 2.217 325 M HA 0.193 4.672 4.480 -0.002 0.000 0.354 325 M C 0.154 176.422 176.300 -0.053 0.000 1.225 325 M CA 0.064 55.341 55.300 -0.038 0.000 1.137 325 M CB 1.315 33.896 32.600 -0.032 0.000 1.576 325 M HN -0.170 8.120 8.290 -0.000 0.000 0.461 326 I N 2.407 122.949 120.570 -0.047 0.000 2.379 326 I HA -0.006 4.163 4.170 -0.002 0.000 0.290 326 I C 1.051 177.139 176.117 -0.048 0.000 1.063 326 I CA 0.064 61.333 61.300 -0.052 0.000 1.351 326 I CB 0.932 38.906 38.000 -0.044 0.000 1.410 326 I HN 0.853 9.063 8.210 -0.000 0.000 0.505 327 S N 3.631 119.297 115.700 -0.056 0.000 2.492 327 S HA 0.267 4.736 4.470 -0.002 0.000 0.218 327 S C 0.715 175.294 174.600 -0.033 0.000 1.016 327 S CA -0.053 58.120 58.200 -0.044 0.000 0.916 327 S CB 0.539 63.709 63.200 -0.051 0.000 0.791 327 S HN 0.683 8.993 8.310 -0.000 0.000 0.513 328 G N 0.944 109.722 108.800 -0.036 0.000 2.706 328 G HA2 0.589 4.548 3.960 -0.002 0.000 0.297 328 G HA3 0.589 4.548 3.960 -0.002 0.000 0.297 328 G C -0.282 174.600 174.900 -0.029 0.000 1.403 328 G CA -1.119 43.966 45.100 -0.025 0.000 0.954 328 G HN 0.237 8.527 8.290 -0.000 0.000 0.500 329 R N -0.187 120.298 120.500 -0.025 0.000 2.541 329 R HA 0.253 4.592 4.340 -0.002 0.000 0.332 329 R C 0.010 176.291 176.300 -0.030 0.000 0.951 329 R CA 0.108 56.188 56.100 -0.034 0.000 1.136 329 R CB 0.714 30.988 30.300 -0.042 0.000 1.449 329 R HN 0.467 8.737 8.270 -0.000 0.000 0.531 330 D N 0.446 120.837 120.400 -0.015 0.000 2.500 330 D HA 0.039 4.678 4.640 -0.002 0.000 0.217 330 D C 0.296 176.599 176.300 0.005 0.000 1.159 330 D CA -0.241 53.756 54.000 -0.005 0.000 0.828 330 D CB 0.231 41.033 40.800 0.004 0.000 1.039 330 D HN -0.096 8.274 8.370 -0.000 0.000 0.512 331 V N 1.611 121.527 119.914 0.004 0.000 2.681 331 V HA -0.092 4.027 4.120 -0.002 0.000 0.306 331 V C 0.825 176.917 176.094 -0.004 0.000 1.077 331 V CA 0.348 62.656 62.300 0.014 0.000 1.224 331 V CB -0.137 31.693 31.823 0.012 0.000 0.879 331 V HN 0.193 8.383 8.190 -0.000 0.000 0.494 332 R N 4.310 124.804 120.500 -0.009 0.000 2.294 332 R HA 0.416 4.755 4.340 -0.002 0.000 0.319 332 R C 0.395 176.579 176.300 -0.194 0.000 0.984 332 R CA -0.539 55.486 56.100 -0.123 0.000 0.861 332 R CB 0.722 30.919 30.300 -0.172 0.000 1.104 332 R HN 0.727 8.997 8.270 -0.000 0.000 0.451 333 K N 2.428 122.699 120.400 -0.215 0.000 2.438 333 K HA 0.199 4.518 4.320 -0.002 0.000 0.206 333 K C -0.717 175.778 176.600 -0.175 0.000 1.081 333 K CA -0.102 56.110 56.287 -0.124 0.000 1.053 333 K CB 1.634 34.118 32.500 -0.025 0.000 0.908 333 K HN 0.232 8.482 8.250 -0.000 0.000 0.556 334 V N 1.949 121.658 119.914 -0.342 0.000 2.448 334 V HA 0.375 4.494 4.120 -0.002 0.000 0.295 334 V C -1.266 174.592 176.094 -0.392 0.000 1.025 334 V CA -0.765 61.410 62.300 -0.207 0.000 0.859 334 V CB 0.784 32.557 31.823 -0.083 0.000 0.988 334 V HN 0.048 8.238 8.190 -0.000 0.000 0.431 335 Y N 3.548 123.901 120.300 0.088 0.000 2.442 335 Y HA 0.566 5.115 4.550 -0.002 0.000 0.344 335 Y C 0.174 176.131 175.900 0.095 0.000 0.976 335 Y CA -1.012 57.139 58.100 0.085 0.000 1.040 335 Y CB 1.913 40.427 38.460 0.091 0.000 1.228 335 Y HN 0.469 8.749 8.280 -0.000 0.000 0.451 336 I N 2.866 123.591 120.570 0.260 0.000 2.452 336 I HA 0.040 4.209 4.170 -0.002 0.000 0.287 336 I C 0.894 177.113 176.117 0.170 0.000 1.079 336 I CA 0.379 61.782 61.300 0.171 0.000 1.387 336 I CB 0.931 38.996 38.000 0.108 0.000 1.404 336 I HN 0.834 9.044 8.210 -0.000 0.000 0.522 337 T N 0.213 114.869 114.554 0.170 0.000 3.022 337 T HA 0.156 4.505 4.350 -0.002 0.000 0.250 337 T C 0.029 174.758 174.700 0.049 0.000 1.060 337 T CA -0.102 62.079 62.100 0.135 0.000 1.013 337 T CB -0.072 68.942 68.868 0.243 0.000 0.982 337 T HN 0.746 8.986 8.240 -0.000 0.000 0.508 338 D N -0.692 119.744 120.400 0.060 0.000 2.792 338 D HA 0.100 4.739 4.640 -0.002 0.000 0.335 338 D C -0.493 175.813 176.300 0.011 0.000 1.353 338 D CA -0.655 53.364 54.000 0.032 0.000 0.839 338 D CB 0.045 40.867 40.800 0.036 0.000 1.396 338 D HN -0.162 8.208 8.370 -0.000 0.000 0.479 339 D N -1.152 119.229 120.400 -0.031 0.000 2.263 339 D HA -0.116 4.523 4.640 -0.002 0.000 0.208 339 D C 0.243 176.234 176.300 -0.515 0.000 0.971 339 D CA 1.326 55.181 54.000 -0.240 0.000 0.867 339 D CB 0.284 40.923 40.800 -0.267 0.000 0.929 339 D HN 0.326 8.696 8.370 -0.000 0.000 0.492 340 Y N -0.331 120.027 120.300 0.096 0.000 2.707 340 Y HA 0.135 4.684 4.550 -0.002 0.000 0.249 340 Y C 0.502 176.519 175.900 0.195 0.000 1.166 340 Y CA -0.359 57.819 58.100 0.130 0.000 1.184 340 Y CB 0.915 39.459 38.460 0.139 0.000 1.240 340 Y HN -0.187 8.093 8.280 -0.000 0.000 0.547 341 T N -1.872 112.835 114.554 0.256 0.000 2.868 341 T HA 0.918 5.267 4.350 -0.002 0.000 0.306 341 T C -0.933 173.906 174.700 0.231 0.000 1.224 341 T CA -0.673 61.604 62.100 0.296 0.000 1.012 341 T CB 2.098 71.184 68.868 0.363 0.000 1.221 341 T HN 0.083 8.323 8.240 -0.000 0.000 0.499 342 A N 1.341 124.308 122.820 0.245 0.000 2.539 342 A HA 0.962 5.280 4.320 -0.002 0.000 0.296 342 A C -0.149 177.572 177.584 0.228 0.000 1.073 342 A CA -0.668 51.501 52.037 0.219 0.000 0.700 342 A CB 1.661 20.765 19.000 0.173 0.000 1.296 342 A HN 1.720 9.870 8.150 -0.000 0.000 0.405 343 T N -1.180 113.510 114.554 0.226 0.000 2.893 343 T HA 0.762 5.111 4.350 -0.002 0.000 0.293 343 T C -0.109 174.692 174.700 0.169 0.000 1.027 343 T CA -0.084 62.128 62.100 0.186 0.000 0.988 343 T CB 1.732 70.692 68.868 0.153 0.000 1.043 343 T HN 1.684 9.924 8.240 -0.000 0.000 0.461 344 G N 2.096 110.974 108.800 0.129 0.000 2.544 344 G HA2 0.681 4.640 3.960 -0.002 0.000 0.313 344 G HA3 0.681 4.640 3.960 -0.002 0.000 0.313 344 G C -0.948 174.002 174.900 0.084 0.000 1.316 344 G CA -0.938 44.219 45.100 0.096 0.000 0.944 344 G HN 0.907 9.197 8.290 -0.000 0.000 0.489 345 I N 1.626 122.238 120.570 0.070 0.000 2.466 345 I HA 0.593 4.762 4.170 -0.002 0.000 0.289 345 I C 0.275 176.398 176.117 0.009 0.000 1.026 345 I CA -0.882 60.432 61.300 0.025 0.000 1.078 345 I CB 2.200 40.200 38.000 -0.001 0.000 1.249 345 I HN 0.571 8.781 8.210 -0.000 0.000 0.429 346 A N 4.187 127.004 122.820 -0.005 0.000 2.330 346 A HA 1.021 5.340 4.320 -0.002 0.000 0.329 346 A C 0.157 177.724 177.584 -0.029 0.000 1.135 346 A CA 0.082 52.120 52.037 0.002 0.000 0.817 346 A CB 1.557 20.569 19.000 0.020 0.000 1.269 346 A HN 1.069 9.219 8.150 -0.000 0.000 0.469 347 G N -0.753 108.043 108.800 -0.006 0.000 2.236 347 G HA2 0.247 4.206 3.960 -0.002 0.000 0.231 347 G HA3 0.247 4.206 3.960 -0.002 0.000 0.231 347 G C -0.287 174.625 174.900 0.021 0.000 1.334 347 G CA -0.178 44.908 45.100 -0.024 0.000 1.137 347 G HN 1.221 9.511 8.290 -0.000 0.000 0.482 348 T N 2.124 116.675 114.554 -0.006 0.000 2.765 348 T HA 0.437 4.786 4.350 -0.002 0.000 0.284 348 T C 1.821 176.532 174.700 0.018 0.000 0.946 348 T CA 1.114 63.237 62.100 0.038 0.000 1.185 348 T CB 1.020 69.887 68.868 -0.002 0.000 0.887 348 T HN 1.636 9.876 8.240 -0.000 0.000 0.532 349 A N 4.294 127.141 122.820 0.044 0.000 1.927 349 A HA -0.124 4.195 4.320 -0.002 0.000 0.220 349 A C 2.548 180.151 177.584 0.032 0.000 1.185 349 A CA 2.100 54.157 52.037 0.035 0.000 0.639 349 A CB -1.119 17.901 19.000 0.034 0.000 0.820 349 A HN 0.946 9.096 8.150 -0.000 0.000 0.451 350 A N -0.580 122.257 122.820 0.029 0.000 1.841 350 A HA -0.097 4.222 4.320 -0.002 0.000 0.216 350 A C 2.191 179.792 177.584 0.028 0.000 1.199 350 A CA 2.215 54.271 52.037 0.032 0.000 0.621 350 A CB -1.291 17.727 19.000 0.030 0.000 0.835 350 A HN 0.655 8.805 8.150 -0.000 0.000 0.445 351 V N -0.178 119.734 119.914 -0.004 0.000 2.568 351 V HA -0.246 3.873 4.120 -0.002 0.000 0.253 351 V C 2.848 178.876 176.094 -0.110 0.000 1.072 351 V CA 1.993 64.268 62.300 -0.042 0.000 1.084 351 V CB -1.352 30.399 31.823 -0.119 0.000 0.676 351 V HN 0.653 8.842 8.190 -0.000 0.000 0.469 352 A N -0.674 122.090 122.820 -0.092 0.000 1.935 352 A HA -0.048 4.271 4.320 -0.002 0.000 0.214 352 A C 2.371 180.006 177.584 0.085 0.000 1.178 352 A CA 1.486 53.475 52.037 -0.080 0.000 0.640 352 A CB -0.382 18.583 19.000 -0.058 0.000 0.825 352 A HN 0.328 8.478 8.150 -0.000 0.000 0.447 353 V N 0.199 120.178 119.914 0.108 0.000 2.591 353 V HA -0.171 3.948 4.120 -0.002 0.000 0.249 353 V C 2.101 178.251 176.094 0.093 0.000 1.053 353 V CA 2.367 64.746 62.300 0.130 0.000 1.068 353 V CB -0.503 31.398 31.823 0.130 0.000 0.689 353 V HN 0.684 8.874 8.190 -0.000 0.000 0.462 354 E N -0.454 119.818 120.200 0.119 0.000 2.058 354 E HA -0.245 4.104 4.350 -0.002 0.000 0.194 354 E C 2.066 178.795 176.600 0.215 0.000 0.997 354 E CA 1.795 58.276 56.400 0.136 0.000 0.801 354 E CB -0.302 29.487 29.700 0.148 0.000 0.746 354 E HN 0.626 8.986 8.360 -0.000 0.000 0.450 355 F N 0.999 120.961 119.950 0.020 0.000 2.120 355 F HA -0.257 4.269 4.527 -0.001 0.000 0.300 355 F C 2.371 178.197 175.800 0.044 0.000 1.095 355 F CA 1.441 59.451 58.000 0.018 0.000 1.249 355 F CB -0.555 38.437 39.000 -0.014 0.000 0.995 355 F HN -0.004 8.296 8.300 -0.000 0.000 0.480 356 A N -0.719 122.259 122.820 0.263 0.000 1.898 356 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 356 A C 2.331 179.967 177.584 0.086 0.000 1.181 356 A CA 1.500 53.647 52.037 0.183 0.000 0.620 356 A CB -0.653 18.441 19.000 0.157 0.000 0.819 356 A HN 0.318 8.468 8.150 -0.000 0.000 0.442 357 R N -0.984 119.518 120.500 0.003 0.000 2.070 357 R HA -0.117 4.222 4.340 -0.002 0.000 0.233 357 R C 2.108 178.421 176.300 0.021 0.000 1.137 357 R CA 1.632 57.710 56.100 -0.035 0.000 0.945 357 R CB -0.447 29.825 30.300 -0.047 0.000 0.845 357 R HN 0.449 8.719 8.270 -0.000 0.000 0.430 358 L N -0.032 121.233 121.223 0.069 0.000 2.012 358 L HA -0.231 4.108 4.340 -0.002 0.000 0.210 358 L C 2.057 178.985 176.870 0.097 0.000 1.073 358 L CA 1.833 56.730 54.840 0.096 0.000 0.748 358 L CB -0.817 41.277 42.059 0.059 0.000 0.891 358 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 359 Y N 0.113 120.378 120.300 -0.057 0.000 2.224 359 Y HA -0.180 4.369 4.550 -0.002 0.000 0.289 359 Y C 2.313 178.193 175.900 -0.034 0.000 1.146 359 Y CA 1.406 59.466 58.100 -0.068 0.000 1.182 359 Y CB -0.602 37.816 38.460 -0.070 0.000 0.983 359 Y HN 0.279 8.559 8.280 -0.000 0.000 0.524 360 A N -1.109 121.692 122.820 -0.031 0.000 1.929 360 A HA -0.080 4.239 4.320 -0.002 0.000 0.216 360 A C 2.364 179.855 177.584 -0.154 0.000 1.176 360 A CA 1.643 53.604 52.037 -0.127 0.000 0.628 360 A CB -1.146 17.829 19.000 -0.041 0.000 0.816 360 A HN 0.298 8.448 8.150 -0.000 0.000 0.444 361 V N 0.010 119.840 119.914 -0.140 0.000 2.307 361 V HA -0.241 3.878 4.120 -0.002 0.000 0.245 361 V C 2.555 178.528 176.094 -0.202 0.000 1.045 361 V CA 2.360 64.520 62.300 -0.233 0.000 1.024 361 V CB -0.608 30.994 31.823 -0.369 0.000 0.651 361 V HN 0.798 8.988 8.190 -0.000 0.000 0.449 362 E N 0.007 120.148 120.200 -0.098 0.000 2.097 362 E HA -0.262 4.087 4.350 -0.002 0.000 0.196 362 E C 1.977 178.548 176.600 -0.047 0.000 1.000 362 E CA 1.586 57.979 56.400 -0.012 0.000 0.804 362 E CB -0.229 29.477 29.700 0.011 0.000 0.740 362 E HN 0.361 8.721 8.360 -0.000 0.000 0.454 363 L N 1.022 122.121 121.223 -0.207 0.000 2.027 363 L HA -0.076 4.263 4.340 -0.002 0.000 0.206 363 L C 2.376 179.226 176.870 -0.034 0.000 1.074 363 L CA 2.131 56.857 54.840 -0.189 0.000 0.745 363 L CB -0.775 41.076 42.059 -0.347 0.000 0.898 363 L HN 0.281 8.511 8.230 -0.000 0.000 0.433 364 E N -1.975 118.195 120.200 -0.050 0.000 2.274 364 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 364 E C 2.083 178.698 176.600 0.026 0.000 0.996 364 E CA 0.670 57.061 56.400 -0.016 0.000 0.840 364 E CB 0.069 29.737 29.700 -0.053 0.000 0.772 364 E HN 0.595 8.955 8.360 -0.000 0.000 0.491 365 H N -0.929 118.089 119.070 -0.086 0.000 2.326 365 H HA -0.176 4.379 4.556 -0.002 0.000 0.301 365 H C 1.782 177.110 175.328 -0.001 0.000 1.081 365 H CA 2.109 58.109 56.048 -0.080 0.000 1.334 365 H CB -0.293 29.417 29.762 -0.088 0.000 1.385 365 H HN 0.254 8.534 8.280 -0.000 0.000 0.504 366 Y N 1.137 121.467 120.300 0.050 0.000 2.224 366 Y HA -0.207 4.342 4.550 -0.002 0.000 0.289 366 Y C 2.618 178.486 175.900 -0.054 0.000 1.146 366 Y CA 2.044 60.137 58.100 -0.012 0.000 1.182 366 Y CB -0.117 38.347 38.460 0.008 0.000 0.983 366 Y HN 0.419 8.699 8.280 -0.000 0.000 0.524 367 E N 0.072 120.354 120.200 0.137 0.000 2.077 367 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 367 E C 1.977 178.532 176.600 -0.074 0.000 0.989 367 E CA 1.350 57.782 56.400 0.053 0.000 0.800 367 E CB -0.023 29.720 29.700 0.071 0.000 0.746 367 E HN 0.487 8.847 8.360 -0.000 0.000 0.452 368 K N 0.051 120.387 120.400 -0.107 0.000 2.103 368 K HA -0.048 4.271 4.320 -0.002 0.000 0.204 368 K C 2.246 178.721 176.600 -0.208 0.000 1.052 368 K CA 0.783 56.985 56.287 -0.142 0.000 0.945 368 K CB 0.027 32.440 32.500 -0.144 0.000 0.722 368 K HN 0.200 8.450 8.250 -0.000 0.000 0.443 369 L N 0.901 121.944 121.223 -0.301 0.000 2.109 369 L HA -0.119 4.220 4.340 -0.002 0.000 0.207 369 L C 1.685 178.369 176.870 -0.309 0.000 1.086 369 L CA 0.996 55.644 54.840 -0.321 0.000 0.760 369 L CB -0.085 41.741 42.059 -0.389 0.000 0.910 369 L HN 0.121 8.351 8.230 -0.000 0.000 0.437 370 E N -0.311 119.647 120.200 -0.404 0.000 2.481 370 E HA 0.120 4.469 4.350 -0.002 0.000 0.198 370 E C 1.477 177.957 176.600 -0.199 0.000 1.027 370 E CA 0.683 56.864 56.400 -0.365 0.000 0.900 370 E CB 0.748 30.058 29.700 -0.650 0.000 0.993 370 E HN 0.416 8.776 8.360 -0.000 0.000 0.482 371 G N 1.402 110.113 108.800 -0.149 0.000 2.196 371 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.268 371 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.268 371 G C 0.249 175.135 174.900 -0.025 0.000 0.975 371 G CA 0.850 45.905 45.100 -0.074 0.000 0.648 371 G HN 0.313 8.603 8.290 -0.000 0.000 0.538 372 V N 0.897 120.809 119.914 -0.003 0.000 2.932 372 V HA 0.750 4.869 4.120 -0.002 0.000 0.307 372 V C -2.299 173.898 176.094 0.172 0.000 1.147 372 V CA -1.653 60.691 62.300 0.073 0.000 0.951 372 V CB 2.667 34.531 31.823 0.067 0.000 1.031 372 V HN 0.057 8.247 8.190 -0.000 0.000 0.426 373 P HA 0.206 4.626 4.420 -0.000 0.000 0.274 373 P C -0.664 176.742 177.300 0.177 0.000 1.231 373 P CA -0.333 62.880 63.100 0.189 0.000 0.790 373 P CB 0.755 32.553 31.700 0.164 0.000 0.951 374 L N 2.601 123.862 121.223 0.064 0.000 2.461 374 L HA 0.133 4.472 4.340 -0.002 0.000 0.272 374 L C 1.199 178.058 176.870 -0.019 0.000 1.197 374 L CA 0.609 55.363 54.840 -0.142 0.000 0.836 374 L CB -0.245 41.621 42.059 -0.322 0.000 1.105 374 L HN 0.540 8.770 8.230 -0.000 0.000 0.477 375 T N 0.449 114.985 114.554 -0.031 0.000 2.813 375 T HA 0.054 4.403 4.350 -0.002 0.000 0.297 375 T C 1.174 175.913 174.700 0.065 0.000 1.036 375 T CA -0.089 62.046 62.100 0.057 0.000 1.044 375 T CB 0.139 69.023 68.868 0.026 0.000 0.993 375 T HN 0.426 8.666 8.240 -0.000 0.000 0.535 376 F N 1.632 121.588 119.950 0.009 0.000 2.161 376 F HA 0.022 4.548 4.527 -0.002 0.000 0.300 376 F C 2.614 178.379 175.800 -0.058 0.000 1.089 376 F CA 1.742 59.739 58.000 -0.005 0.000 1.282 376 F CB -0.958 38.043 39.000 0.002 0.000 1.010 376 F HN 0.781 9.081 8.300 -0.000 0.000 0.485 377 A N -0.020 122.793 122.820 -0.011 0.000 1.933 377 A HA -0.069 4.250 4.320 -0.002 0.000 0.218 377 A C 2.507 179.937 177.584 -0.256 0.000 1.175 377 A CA 1.659 53.598 52.037 -0.162 0.000 0.628 377 A CB -1.749 17.203 19.000 -0.081 0.000 0.814 377 A HN 0.477 8.627 8.150 -0.000 0.000 0.444 378 G N -0.330 108.356 108.800 -0.190 0.000 2.418 378 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.217 378 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.217 378 G C 1.669 176.427 174.900 -0.237 0.000 1.158 378 G CA 1.074 46.045 45.100 -0.214 0.000 0.771 378 G HN 0.583 8.873 8.290 -0.000 0.000 0.545 379 K N -0.143 120.104 120.400 -0.254 0.000 2.057 379 K HA 0.058 4.377 4.320 -0.002 0.000 0.207 379 K C 2.404 178.908 176.600 -0.160 0.000 1.049 379 K CA 0.808 56.977 56.287 -0.197 0.000 0.931 379 K CB -0.206 32.152 32.500 -0.238 0.000 0.714 379 K HN 0.322 8.572 8.250 -0.000 0.000 0.440 380 I N 1.480 121.835 120.570 -0.358 0.000 2.142 380 I HA -0.308 3.861 4.170 -0.002 0.000 0.240 380 I C 2.336 178.301 176.117 -0.253 0.000 1.078 380 I CA 1.028 62.142 61.300 -0.311 0.000 1.343 380 I CB -0.351 37.301 38.000 -0.579 0.000 1.046 380 I HN 0.251 8.461 8.210 -0.000 0.000 0.405 381 N N 0.731 119.223 118.700 -0.347 0.000 2.272 381 N HA -0.227 4.512 4.740 -0.002 0.000 0.185 381 N C 1.983 177.428 175.510 -0.107 0.000 1.014 381 N CA 1.321 54.226 53.050 -0.242 0.000 0.870 381 N CB -0.034 38.328 38.487 -0.207 0.000 0.975 381 N HN 0.205 8.585 8.380 -0.000 0.000 0.433 382 R N 0.523 120.969 120.500 -0.090 0.000 2.073 382 R HA 0.011 4.350 4.340 -0.002 0.000 0.229 382 R C 2.140 178.422 176.300 -0.029 0.000 1.120 382 R CA 0.587 56.668 56.100 -0.031 0.000 0.967 382 R CB -0.693 29.601 30.300 -0.009 0.000 0.862 382 R HN 0.122 8.392 8.270 -0.000 0.000 0.436 383 L N 0.352 121.535 121.223 -0.067 0.000 2.083 383 L HA 0.012 4.351 4.340 -0.002 0.000 0.209 383 L C 2.004 178.632 176.870 -0.402 0.000 1.083 383 L CA 2.153 56.755 54.840 -0.397 0.000 0.752 383 L CB -0.926 40.683 42.059 -0.750 0.000 0.899 383 L HN 0.270 8.500 8.230 -0.000 0.000 0.433 384 A N -0.493 122.237 122.820 -0.151 0.000 1.933 384 A HA -0.182 4.136 4.320 -0.002 0.000 0.218 384 A C 2.270 179.880 177.584 0.044 0.000 1.175 384 A CA 2.051 54.147 52.037 0.098 0.000 0.628 384 A CB -0.785 18.429 19.000 0.356 0.000 0.814 384 A HN 0.497 8.647 8.150 -0.000 0.000 0.444 385 I N -0.761 119.807 120.570 -0.004 0.000 2.252 385 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 385 I C 2.735 178.821 176.117 -0.052 0.000 1.102 385 I CA 1.389 62.686 61.300 -0.005 0.000 1.385 385 I CB -0.276 37.717 38.000 -0.011 0.000 1.064 385 I HN 0.333 8.543 8.210 -0.000 0.000 0.414 386 M N -0.369 119.147 119.600 -0.140 0.000 2.080 386 M HA -0.216 4.263 4.480 -0.002 0.000 0.260 386 M C 2.431 178.645 176.300 -0.144 0.000 1.068 386 M CA 1.656 56.804 55.300 -0.254 0.000 1.109 386 M CB -0.502 31.796 32.600 -0.503 0.000 1.342 386 M HN 0.105 8.395 8.290 -0.000 0.000 0.405 387 V N 0.156 120.037 119.914 -0.054 0.000 2.261 387 V HA -0.290 3.829 4.120 -0.002 0.000 0.246 387 V C 2.493 178.665 176.094 0.131 0.000 1.047 387 V CA 1.943 64.341 62.300 0.163 0.000 1.015 387 V CB -0.813 31.063 31.823 0.088 0.000 0.642 387 V HN 0.479 8.669 8.190 -0.000 0.000 0.446 388 R N 0.422 120.977 120.500 0.091 0.000 2.117 388 R HA -0.158 4.181 4.340 -0.002 0.000 0.243 388 R C 1.976 178.314 176.300 0.062 0.000 1.143 388 R CA 1.715 57.866 56.100 0.085 0.000 0.968 388 R CB -0.703 29.648 30.300 0.085 0.000 0.863 388 R HN 0.567 8.837 8.270 -0.000 0.000 0.444 389 G N -0.387 108.439 108.800 0.043 0.000 3.061 389 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.208 389 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.208 389 G C 0.732 175.663 174.900 0.052 0.000 1.175 389 G CA 0.125 45.243 45.100 0.029 0.000 0.812 389 G HN 0.370 8.660 8.290 -0.000 0.000 0.523 390 N N -0.637 118.117 118.700 0.090 0.000 2.159 390 N HA 0.070 4.809 4.740 -0.002 0.000 0.217 390 N C 1.693 177.245 175.510 0.071 0.000 1.223 390 N CA -0.369 52.747 53.050 0.110 0.000 0.896 390 N CB 0.108 38.731 38.487 0.226 0.000 1.064 390 N HN 0.062 8.442 8.380 -0.000 0.000 0.518 391 L N 0.937 122.195 121.223 0.059 0.000 2.051 391 L HA -0.056 4.282 4.340 -0.002 0.000 0.214 391 L C 1.967 178.852 176.870 0.025 0.000 1.076 391 L CA 2.212 57.076 54.840 0.040 0.000 0.758 391 L CB -1.007 41.075 42.059 0.038 0.000 0.890 391 L HN 0.220 8.450 8.230 -0.000 0.000 0.433 392 A N -0.792 122.042 122.820 0.024 0.000 1.877 392 A HA -0.060 4.259 4.320 -0.002 0.000 0.216 392 A C 2.433 180.024 177.584 0.012 0.000 1.186 392 A CA 1.844 53.890 52.037 0.015 0.000 0.620 392 A CB -1.149 17.859 19.000 0.014 0.000 0.822 392 A HN 0.574 8.724 8.150 -0.000 0.000 0.443 393 A N -0.259 122.572 122.820 0.019 0.000 1.969 393 A HA 0.234 4.553 4.320 -0.002 0.000 0.218 393 A C 2.452 180.038 177.584 0.002 0.000 1.169 393 A CA 1.784 53.830 52.037 0.014 0.000 0.635 393 A CB -0.915 18.101 19.000 0.026 0.000 0.810 393 A HN 1.045 9.195 8.150 -0.000 0.000 0.445 394 A N -0.479 122.343 122.820 0.003 0.000 1.940 394 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 394 A C 2.096 179.669 177.584 -0.019 0.000 1.176 394 A CA 1.967 53.995 52.037 -0.014 0.000 0.631 394 A CB -0.493 18.503 19.000 -0.006 0.000 0.814 394 A HN 0.443 8.593 8.150 -0.000 0.000 0.446 395 M N -0.722 118.872 119.600 -0.009 0.000 2.374 395 M HA -0.083 4.396 4.480 -0.002 0.000 0.264 395 M C 1.367 177.658 176.300 -0.014 0.000 1.067 395 M CA 1.132 56.426 55.300 -0.011 0.000 1.103 395 M CB -0.963 31.634 32.600 -0.004 0.000 1.402 395 M HN 0.529 8.819 8.290 -0.000 0.000 0.444 396 Q N -0.783 119.009 119.800 -0.012 0.000 2.198 396 Q HA 0.306 4.645 4.340 -0.002 0.000 0.209 396 Q C 1.079 177.068 176.000 -0.018 0.000 0.848 396 Q CA 0.322 56.117 55.803 -0.012 0.000 0.974 396 Q CB 0.698 29.433 28.738 -0.005 0.000 1.115 396 Q HN 0.673 8.943 8.270 -0.000 0.000 0.494 397 G N 0.820 109.602 108.800 -0.030 0.000 2.259 397 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.217 397 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.217 397 G C 0.342 175.215 174.900 -0.044 0.000 1.001 397 G CA -0.479 44.595 45.100 -0.044 0.000 0.627 397 G HN 0.300 8.590 8.290 -0.000 0.000 0.501 398 L N 1.939 123.144 121.223 -0.029 0.000 2.672 398 L HA 0.454 4.793 4.340 -0.002 0.000 0.238 398 L C 0.841 177.675 176.870 -0.060 0.000 1.392 398 L CA -0.560 54.261 54.840 -0.032 0.000 1.238 398 L CB -0.026 42.028 42.059 -0.009 0.000 1.548 398 L HN 0.331 8.561 8.230 -0.000 0.000 0.423 399 L N 1.681 122.858 121.223 -0.078 0.000 2.426 399 L HA 0.516 4.855 4.340 -0.002 0.000 0.271 399 L C 0.239 177.010 176.870 -0.165 0.000 1.169 399 L CA 0.205 54.985 54.840 -0.100 0.000 0.836 399 L CB 0.990 42.996 42.059 -0.087 0.000 1.112 399 L HN 0.272 8.502 8.230 -0.000 0.000 0.465 400 A N 5.835 128.514 122.820 -0.235 0.000 2.569 400 A HA 0.556 4.875 4.320 -0.002 0.000 0.282 400 A C -1.432 175.988 177.584 -0.272 0.000 1.165 400 A CA -0.404 51.396 52.037 -0.395 0.000 0.747 400 A CB 0.472 18.896 19.000 -0.960 0.000 1.215 400 A HN 0.578 8.728 8.150 -0.000 0.000 0.431 401 L N 5.362 126.501 121.223 -0.140 0.000 2.272 401 L HA 0.466 4.805 4.340 -0.002 0.000 0.284 401 L C -2.111 174.760 176.870 0.003 0.000 1.045 401 L CA -1.538 53.281 54.840 -0.036 0.000 0.842 401 L CB 1.315 43.375 42.059 0.001 0.000 1.224 401 L HN 0.458 8.688 8.230 -0.000 0.000 0.430 402 P HA 0.234 4.654 4.420 -0.000 0.000 0.281 402 P C -1.306 176.124 177.300 0.216 0.000 1.249 402 P CA -0.677 62.465 63.100 0.070 0.000 0.810 402 P CB 2.122 33.802 31.700 -0.034 0.000 1.008 403 L N 3.170 124.500 121.223 0.177 0.000 2.349 403 L HA 0.499 4.837 4.340 -0.002 0.000 0.278 403 L C -1.116 175.880 176.870 0.211 0.000 0.996 403 L CA -0.877 54.089 54.840 0.209 0.000 0.825 403 L CB 1.312 43.457 42.059 0.143 0.000 1.243 403 L HN 0.214 8.444 8.230 -0.000 0.000 0.412 404 L N 5.115 126.502 121.223 0.273 0.000 2.322 404 L HA 0.930 5.269 4.340 -0.002 0.000 0.281 404 L C -0.679 176.351 176.870 0.266 0.000 1.014 404 L CA -0.063 54.932 54.840 0.259 0.000 0.815 404 L CB 1.552 43.790 42.059 0.298 0.000 1.247 404 L HN 0.750 8.980 8.230 -0.000 0.000 0.421 405 A N 3.372 126.351 122.820 0.264 0.000 2.356 405 A HA 0.943 5.262 4.320 -0.002 0.000 0.310 405 A C -0.355 177.416 177.584 0.312 0.000 1.075 405 A CA 0.124 52.314 52.037 0.254 0.000 0.746 405 A CB 1.312 20.430 19.000 0.196 0.000 1.221 405 A HN 0.982 9.132 8.150 -0.000 0.000 0.443 406 G N -0.299 108.677 108.800 0.294 0.000 2.677 406 G HA2 0.519 4.478 3.960 -0.002 0.000 0.291 406 G HA3 0.519 4.478 3.960 -0.002 0.000 0.291 406 G C -2.049 172.867 174.900 0.027 0.000 1.435 406 G CA -0.436 44.836 45.100 0.287 0.000 0.826 406 G HN 0.828 9.118 8.290 -0.000 0.000 0.491 407 Y N 1.048 121.337 120.300 -0.019 0.000 2.328 407 Y HA 0.525 5.074 4.550 -0.002 0.000 0.337 407 Y C -0.772 174.972 175.900 -0.261 0.000 0.966 407 Y CA -0.782 57.251 58.100 -0.112 0.000 1.136 407 Y CB 2.044 40.545 38.460 0.067 0.000 1.170 407 Y HN 0.432 8.712 8.280 -0.000 0.000 0.470 408 D N 6.576 126.596 120.400 -0.632 0.000 2.396 408 D HA 0.152 4.791 4.640 -0.002 0.000 0.225 408 D C 0.917 176.982 176.300 -0.391 0.000 1.121 408 D CA -0.049 53.661 54.000 -0.484 0.000 0.853 408 D CB 0.694 41.182 40.800 -0.520 0.000 1.043 408 D HN 0.587 8.957 8.370 -0.000 0.000 0.500 409 I N 2.958 123.311 120.570 -0.362 0.000 2.286 409 I HA -0.209 3.960 4.170 -0.002 0.000 0.248 409 I C 1.202 177.101 176.117 -0.363 0.000 1.115 409 I CA 1.205 62.267 61.300 -0.397 0.000 1.392 409 I CB -0.859 36.722 38.000 -0.698 0.000 1.065 409 I HN 0.531 8.741 8.210 -0.000 0.000 0.418 410 H N 0.364 119.373 119.070 -0.102 0.000 2.533 410 H HA 0.382 4.937 4.556 -0.002 0.000 0.271 410 H C 1.073 176.355 175.328 -0.075 0.000 1.000 410 H CA 0.047 56.056 56.048 -0.066 0.000 1.149 410 H CB 0.024 29.764 29.762 -0.038 0.000 1.375 410 H HN 0.233 8.513 8.280 -0.000 0.000 0.582 411 A N 1.108 123.891 122.820 -0.062 0.000 2.511 411 A HA 0.057 4.376 4.320 -0.002 0.000 0.242 411 A C 1.705 179.256 177.584 -0.055 0.000 1.069 411 A CA 0.340 52.323 52.037 -0.090 0.000 0.763 411 A CB 0.197 19.072 19.000 -0.208 0.000 1.001 411 A HN 0.552 8.702 8.150 -0.000 0.000 0.498 412 S N 1.614 117.294 115.700 -0.034 0.000 2.382 412 S HA -0.088 4.381 4.470 -0.002 0.000 0.228 412 S C 0.374 174.955 174.600 -0.032 0.000 1.027 412 S CA 1.159 59.347 58.200 -0.020 0.000 0.991 412 S CB -0.449 62.745 63.200 -0.011 0.000 0.823 412 S HN 0.794 9.104 8.310 -0.000 0.000 0.469 413 D N 1.458 121.828 120.400 -0.051 0.000 2.342 413 D HA 0.326 4.965 4.640 -0.002 0.000 0.243 413 D C -2.254 173.998 176.300 -0.080 0.000 1.019 413 D CA -2.137 51.833 54.000 -0.051 0.000 0.864 413 D CB 1.645 42.421 40.800 -0.040 0.000 1.315 413 D HN 0.070 8.440 8.370 -0.000 0.000 0.468 414 P HA -0.234 4.186 4.420 -0.000 0.000 0.216 414 P C 1.398 178.640 177.300 -0.096 0.000 1.153 414 P CA 1.565 64.624 63.100 -0.069 0.000 0.848 414 P CB 0.456 32.141 31.700 -0.024 0.000 0.787 415 Q N 0.754 120.514 119.800 -0.068 0.000 2.124 415 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 415 Q C 2.389 178.326 176.000 -0.105 0.000 0.977 415 Q CA 2.188 57.953 55.803 -0.063 0.000 0.850 415 Q CB -1.463 27.257 28.738 -0.031 0.000 0.901 415 Q HN 0.106 8.376 8.270 -0.000 0.000 0.429 416 S N -0.834 114.797 115.700 -0.116 0.000 2.447 416 S HA -0.013 4.456 4.470 -0.002 0.000 0.233 416 S C 1.767 176.210 174.600 -0.261 0.000 1.006 416 S CA 0.913 59.026 58.200 -0.145 0.000 0.957 416 S CB -0.524 62.611 63.200 -0.107 0.000 0.773 416 S HN 0.604 8.914 8.310 -0.000 0.000 0.507 417 A N 0.784 123.391 122.820 -0.355 0.000 1.902 417 A HA 0.202 4.521 4.320 -0.002 0.000 0.217 417 A C 1.443 178.577 177.584 -0.750 0.000 1.181 417 A CA 1.193 52.824 52.037 -0.677 0.000 0.623 417 A CB -1.316 17.139 19.000 -0.908 0.000 0.818 417 A HN 0.572 8.722 8.150 -0.000 0.000 0.443 418 G N 0.021 108.540 108.800 -0.468 0.000 2.380 418 G HA2 0.480 4.439 3.960 -0.002 0.000 0.262 418 G HA3 0.480 4.439 3.960 -0.002 0.000 0.262 418 G C -0.193 174.568 174.900 -0.232 0.000 1.243 418 G CA -0.476 44.446 45.100 -0.296 0.000 0.865 418 G HN 0.280 8.570 8.290 -0.000 0.000 0.513 419 R N 1.922 122.307 120.500 -0.192 0.000 2.575 419 R HA 0.437 4.776 4.340 -0.002 0.000 0.293 419 R C -1.047 175.293 176.300 0.067 0.000 0.983 419 R CA -0.678 55.357 56.100 -0.109 0.000 0.887 419 R CB 2.332 32.434 30.300 -0.331 0.000 1.184 419 R HN 0.476 8.746 8.270 -0.000 0.000 0.445 420 I N 2.648 123.272 120.570 0.090 0.000 2.466 420 I HA 0.391 4.560 4.170 -0.002 0.000 0.289 420 I C -0.577 175.610 176.117 0.117 0.000 1.026 420 I CA -1.028 60.341 61.300 0.116 0.000 1.078 420 I CB 2.391 40.429 38.000 0.062 0.000 1.249 420 I HN 0.101 8.311 8.210 -0.000 0.000 0.429 421 V N 4.654 124.656 119.914 0.147 0.000 2.588 421 V HA 0.514 4.633 4.120 -0.002 0.000 0.304 421 V C -0.100 175.989 176.094 -0.009 0.000 1.042 421 V CA -0.553 61.784 62.300 0.062 0.000 0.877 421 V CB 1.972 33.846 31.823 0.085 0.000 0.996 421 V HN 0.841 9.031 8.190 -0.000 0.000 0.425 422 S N 3.551 119.159 115.700 -0.153 0.000 2.578 422 S HA 0.876 5.345 4.470 -0.002 0.000 0.301 422 S C -1.089 173.282 174.600 -0.381 0.000 1.091 422 S CA -0.631 57.510 58.200 -0.099 0.000 1.032 422 S CB 1.692 64.871 63.200 -0.034 0.000 1.064 422 S HN 0.339 8.649 8.310 -0.000 0.000 0.508 423 F N 1.193 121.190 119.950 0.078 0.000 2.520 423 F HA 0.436 4.962 4.527 -0.002 0.000 0.322 423 F C 0.272 176.098 175.800 0.044 0.000 1.103 423 F CA -0.787 57.266 58.000 0.087 0.000 0.926 423 F CB 1.659 40.716 39.000 0.095 0.000 1.154 423 F HN 0.753 9.053 8.300 -0.000 0.000 0.453 424 D N 1.303 121.792 120.400 0.148 0.000 2.423 424 D HA 0.410 5.049 4.640 -0.002 0.000 0.255 424 D C 0.918 177.289 176.300 0.118 0.000 1.174 424 D CA -0.556 53.497 54.000 0.087 0.000 1.008 424 D CB 0.957 41.770 40.800 0.023 0.000 1.101 424 D HN 0.532 8.902 8.370 -0.000 0.000 0.516 425 A N 0.088 122.949 122.820 0.069 0.000 2.125 425 A HA 0.109 4.428 4.320 -0.002 0.000 0.219 425 A C 1.932 179.560 177.584 0.074 0.000 1.156 425 A CA 1.604 53.679 52.037 0.063 0.000 0.671 425 A CB -1.030 17.987 19.000 0.028 0.000 0.794 425 A HN 0.684 8.834 8.150 -0.000 0.000 0.459 426 A N -2.255 120.610 122.820 0.075 0.000 2.275 426 A HA 0.450 4.769 4.320 -0.002 0.000 0.212 426 A C 1.703 179.354 177.584 0.112 0.000 1.201 426 A CA 1.073 53.154 52.037 0.073 0.000 0.843 426 A CB -0.579 18.447 19.000 0.044 0.000 0.873 426 A HN 1.746 9.896 8.150 -0.000 0.000 0.492 427 G N -1.512 107.391 108.800 0.172 0.000 2.194 427 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.236 427 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.236 427 G C 0.794 175.894 174.900 0.333 0.000 0.987 427 G CA 0.103 45.365 45.100 0.271 0.000 0.635 427 G HN 1.460 9.750 8.290 -0.000 0.000 0.520 428 G N 0.859 109.757 108.800 0.163 0.000 2.353 428 G HA2 0.415 4.374 3.960 -0.002 0.000 0.239 428 G HA3 0.415 4.374 3.960 -0.002 0.000 0.239 428 G C 0.571 175.460 174.900 -0.018 0.000 1.295 428 G CA 0.570 45.676 45.100 0.010 0.000 0.884 428 G HN 1.036 9.326 8.290 -0.000 0.000 0.537 429 W N 1.928 123.142 121.300 -0.144 0.000 2.706 429 W HA 0.672 5.331 4.660 -0.002 0.000 0.346 429 W C -0.957 175.381 176.519 -0.300 0.000 1.071 429 W CA -1.785 55.297 57.345 -0.439 0.000 1.206 429 W CB 1.320 30.443 29.460 -0.562 0.000 1.413 429 W HN 0.463 8.643 8.180 -0.000 0.000 0.542 430 N N 1.336 119.899 118.700 -0.229 0.000 2.287 430 N HA 0.444 5.183 4.740 -0.002 0.000 0.289 430 N C -1.719 173.784 175.510 -0.012 0.000 1.066 430 N CA -0.559 52.373 53.050 -0.196 0.000 0.841 430 N CB 2.057 40.416 38.487 -0.213 0.000 1.599 430 N HN 0.446 8.826 8.380 -0.000 0.000 0.476 431 I N 1.987 122.596 120.570 0.066 0.000 2.342 431 I HA 0.187 4.356 4.170 -0.002 0.000 0.291 431 I C 0.075 176.190 176.117 -0.002 0.000 1.010 431 I CA -0.616 60.741 61.300 0.096 0.000 1.308 431 I CB 1.107 39.208 38.000 0.169 0.000 1.400 431 I HN 0.412 8.622 8.210 -0.000 0.000 0.488 432 E N 6.871 127.057 120.200 -0.022 0.000 2.029 432 E HA 0.030 4.379 4.350 -0.002 0.000 0.276 432 E C 0.654 177.202 176.600 -0.086 0.000 1.163 432 E CA 0.001 56.351 56.400 -0.083 0.000 0.909 432 E CB 0.424 30.062 29.700 -0.104 0.000 1.046 432 E HN 0.422 8.782 8.360 -0.000 0.000 0.406 433 E N 2.189 122.334 120.200 -0.091 0.000 2.371 433 E HA -0.089 4.260 4.350 -0.002 0.000 0.194 433 E C 0.846 177.386 176.600 -0.101 0.000 1.012 433 E CA 0.243 56.600 56.400 -0.071 0.000 0.860 433 E CB 0.349 30.016 29.700 -0.056 0.000 0.811 433 E HN 0.440 8.800 8.360 -0.000 0.000 0.502 434 E N 0.313 120.399 120.200 -0.190 0.000 2.204 434 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 434 E C 1.390 177.765 176.600 -0.375 0.000 0.989 434 E CA 1.185 57.400 56.400 -0.308 0.000 0.824 434 E CB 0.109 29.501 29.700 -0.512 0.000 0.756 434 E HN 0.465 8.825 8.360 -0.000 0.000 0.477 435 G N 0.224 108.835 108.800 -0.315 0.000 2.259 435 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.217 435 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.217 435 G C 0.062 174.792 174.900 -0.283 0.000 1.001 435 G CA 0.247 45.203 45.100 -0.241 0.000 0.627 435 G HN 0.302 8.592 8.290 -0.000 0.000 0.501 436 Y N -1.621 118.491 120.300 -0.312 0.000 2.689 436 Y HA 0.876 5.425 4.550 -0.002 0.000 0.333 436 Y C -0.698 175.134 175.900 -0.113 0.000 1.208 436 Y CA -1.114 56.862 58.100 -0.207 0.000 1.055 436 Y CB 1.052 39.336 38.460 -0.293 0.000 1.304 436 Y HN 0.502 8.782 8.280 -0.000 0.000 0.455 437 Q N 1.303 121.157 119.800 0.091 0.000 2.702 437 Q HA 0.855 5.194 4.340 -0.002 0.000 0.289 437 Q C -2.102 173.961 176.000 0.106 0.000 0.923 437 Q CA -0.071 55.758 55.803 0.043 0.000 0.787 437 Q CB 2.352 31.081 28.738 -0.014 0.000 1.476 437 Q HN 1.447 9.717 8.270 -0.000 0.000 0.402 438 A N 0.557 123.424 122.820 0.079 0.000 2.606 438 A HA 0.906 5.225 4.320 -0.002 0.000 0.293 438 A C -1.363 176.253 177.584 0.053 0.000 1.082 438 A CA 0.002 52.085 52.037 0.077 0.000 0.685 438 A CB 1.304 20.354 19.000 0.085 0.000 1.284 438 A HN 1.418 9.568 8.150 -0.000 0.000 0.408 439 V N -1.989 117.957 119.914 0.054 0.000 3.114 439 V HA 1.028 5.147 4.120 -0.002 0.000 0.308 439 V C 0.173 176.289 176.094 0.038 0.000 1.168 439 V CA 0.008 62.332 62.300 0.041 0.000 1.015 439 V CB 0.943 32.797 31.823 0.052 0.000 1.050 439 V HN 2.944 11.134 8.190 -0.000 0.000 0.433 440 G N 1.795 110.611 108.800 0.026 0.000 2.462 440 G HA2 0.174 4.133 3.960 -0.002 0.000 0.685 440 G HA3 0.174 4.133 3.960 -0.002 0.000 0.685 440 G C 0.487 175.406 174.900 0.032 0.000 1.295 440 G CA 0.337 45.457 45.100 0.032 0.000 0.941 440 G HN 2.283 10.573 8.290 -0.000 0.000 0.554 441 S N -1.262 114.469 115.700 0.051 0.000 2.442 441 S HA 0.173 4.642 4.470 -0.002 0.000 0.236 441 S C 1.964 176.615 174.600 0.086 0.000 1.007 441 S CA 1.936 60.173 58.200 0.061 0.000 0.965 441 S CB 0.091 63.343 63.200 0.087 0.000 0.773 441 S HN 2.134 10.444 8.310 -0.000 0.000 0.504 442 G N 1.103 109.969 108.800 0.110 0.000 3.575 442 G HA2 0.288 4.247 3.960 -0.002 0.000 0.273 442 G HA3 0.288 4.247 3.960 -0.002 0.000 0.273 442 G C 1.097 176.062 174.900 0.108 0.000 1.053 442 G CA 0.277 45.505 45.100 0.212 0.000 0.803 442 G HN 0.595 8.885 8.290 -0.000 0.000 0.528 443 S N 0.136 115.846 115.700 0.016 0.000 2.419 443 S HA -0.061 4.408 4.470 -0.002 0.000 0.233 443 S C 2.150 176.712 174.600 -0.064 0.000 1.016 443 S CA 0.631 58.831 58.200 0.001 0.000 0.974 443 S CB -0.152 63.048 63.200 0.001 0.000 0.786 443 S HN 0.109 8.419 8.310 -0.000 0.000 0.492 444 L N 0.480 121.569 121.223 -0.223 0.000 2.056 444 L HA 0.168 4.507 4.340 -0.002 0.000 0.207 444 L C 2.238 178.953 176.870 -0.259 0.000 1.078 444 L CA 1.510 56.166 54.840 -0.306 0.000 0.749 444 L CB -1.103 40.651 42.059 -0.508 0.000 0.901 444 L HN 0.259 8.489 8.230 -0.000 0.000 0.433 445 F N -0.525 119.437 119.950 0.020 0.000 2.134 445 F HA -0.179 4.348 4.527 -0.001 0.000 0.299 445 F C 2.503 178.316 175.800 0.021 0.000 1.097 445 F CA 1.025 59.035 58.000 0.016 0.000 1.264 445 F CB -1.521 37.482 39.000 0.006 0.000 1.001 445 F HN 0.075 8.375 8.300 -0.000 0.000 0.479 446 A N -0.211 122.720 122.820 0.184 0.000 1.902 446 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 446 A C 2.273 179.902 177.584 0.075 0.000 1.181 446 A CA 1.752 53.861 52.037 0.121 0.000 0.623 446 A CB -0.706 18.359 19.000 0.108 0.000 0.818 446 A HN 0.333 8.483 8.150 -0.000 0.000 0.443 447 K N -0.424 120.023 120.400 0.077 0.000 2.057 447 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 447 K C 2.356 178.996 176.600 0.065 0.000 1.050 447 K CA 1.376 57.731 56.287 0.112 0.000 0.935 447 K CB -0.134 32.441 32.500 0.126 0.000 0.715 447 K HN 0.435 8.685 8.250 -0.000 0.000 0.439 448 S N 0.102 115.836 115.700 0.057 0.000 2.402 448 S HA -0.130 4.339 4.470 -0.002 0.000 0.229 448 S C 1.921 176.538 174.600 0.028 0.000 1.021 448 S CA 1.320 59.552 58.200 0.053 0.000 0.974 448 S CB -0.143 63.101 63.200 0.074 0.000 0.800 448 S HN 0.336 8.646 8.310 -0.000 0.000 0.484 449 S N 1.362 117.083 115.700 0.035 0.000 2.345 449 S HA -0.017 4.452 4.470 -0.002 0.000 0.220 449 S C 1.922 176.485 174.600 -0.062 0.000 1.031 449 S CA 1.104 59.315 58.200 0.018 0.000 0.996 449 S CB -0.332 62.901 63.200 0.056 0.000 0.882 449 S HN 0.448 8.758 8.310 -0.000 0.000 0.445 450 M N 0.959 120.460 119.600 -0.165 0.000 2.213 450 M HA -0.078 4.401 4.480 -0.002 0.000 0.263 450 M C 2.306 178.302 176.300 -0.507 0.000 1.062 450 M CA 1.363 56.433 55.300 -0.384 0.000 1.105 450 M CB -0.349 31.841 32.600 -0.682 0.000 1.385 450 M HN 0.328 8.618 8.290 -0.000 0.000 0.417 451 K N 0.470 120.645 120.400 -0.374 0.000 2.152 451 K HA -0.181 4.138 4.320 -0.002 0.000 0.206 451 K C 1.797 178.384 176.600 -0.022 0.000 1.048 451 K CA 1.185 57.394 56.287 -0.131 0.000 0.933 451 K CB 0.215 32.743 32.500 0.046 0.000 0.721 451 K HN 0.131 8.381 8.250 -0.000 0.000 0.447 452 K N 0.214 120.598 120.400 -0.027 0.000 2.202 452 K HA 0.057 4.376 4.320 -0.002 0.000 0.201 452 K C 1.979 178.589 176.600 0.016 0.000 1.051 452 K CA 0.634 56.928 56.287 0.012 0.000 0.977 452 K CB 0.095 32.605 32.500 0.016 0.000 0.792 452 K HN 0.211 8.461 8.250 -0.000 0.000 0.469 453 L N -0.070 121.152 121.223 -0.002 0.000 2.418 453 L HA -0.033 4.306 4.340 -0.002 0.000 0.218 453 L C 2.168 179.068 176.870 0.051 0.000 1.125 453 L CA 0.305 55.153 54.840 0.014 0.000 0.835 453 L CB -0.379 41.683 42.059 0.005 0.000 0.953 453 L HN 0.028 8.258 8.230 -0.000 0.000 0.454 454 Y N 1.789 122.027 120.300 -0.103 0.000 2.151 454 Y HA -0.336 4.213 4.550 -0.002 0.000 0.284 454 Y C 2.937 178.845 175.900 0.014 0.000 1.166 454 Y CA 1.403 59.472 58.100 -0.052 0.000 1.163 454 Y CB -0.400 38.034 38.460 -0.042 0.000 0.974 454 Y HN 0.295 8.575 8.280 -0.000 0.000 0.511 455 S N -0.642 115.028 115.700 -0.049 0.000 2.440 455 S HA -0.260 4.209 4.470 -0.002 0.000 0.238 455 S C 1.610 176.135 174.600 -0.125 0.000 1.010 455 S CA 1.460 59.596 58.200 -0.107 0.000 0.972 455 S CB -0.595 62.594 63.200 -0.017 0.000 0.774 455 S HN 0.676 8.986 8.310 -0.000 0.000 0.501 456 Q N 0.552 120.296 119.800 -0.093 0.000 2.472 456 Q HA 0.215 4.554 4.340 -0.002 0.000 0.208 456 Q C -0.294 175.646 176.000 -0.100 0.000 0.958 456 Q CA 0.121 55.879 55.803 -0.076 0.000 0.932 456 Q CB 0.054 28.766 28.738 -0.043 0.000 1.007 456 Q HN 0.391 8.661 8.270 -0.000 0.000 0.508 457 V N 1.746 121.555 119.914 -0.174 0.000 2.455 457 V HA 0.035 4.154 4.120 -0.002 0.000 0.273 457 V C 0.970 176.989 176.094 -0.125 0.000 1.045 457 V CA 0.799 63.015 62.300 -0.141 0.000 0.976 457 V CB 1.107 32.841 31.823 -0.148 0.000 0.993 457 V HN 0.366 8.556 8.190 -0.000 0.000 0.475 458 T N -0.183 114.336 114.554 -0.059 0.000 3.041 458 T HA 0.325 4.674 4.350 -0.002 0.000 0.276 458 T C -0.097 174.612 174.700 0.015 0.000 0.948 458 T CA 0.260 62.346 62.100 -0.024 0.000 0.885 458 T CB 0.060 68.909 68.868 -0.032 0.000 1.175 458 T HN 0.762 9.002 8.240 -0.000 0.000 0.529 459 D N -1.570 118.809 120.400 -0.034 0.000 2.725 459 D HA 0.460 5.099 4.640 -0.002 0.000 0.292 459 D C 1.288 177.280 176.300 -0.512 0.000 1.288 459 D CA -0.416 53.516 54.000 -0.115 0.000 0.784 459 D CB 0.333 41.080 40.800 -0.087 0.000 1.308 459 D HN -0.069 8.301 8.370 -0.000 0.000 0.429 460 G N -0.400 107.812 108.800 -0.979 0.000 2.469 460 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.219 460 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.219 460 G C 0.886 175.482 174.900 -0.507 0.000 1.150 460 G CA 1.256 45.602 45.100 -1.257 0.000 0.763 460 G HN 0.610 8.900 8.290 -0.000 0.000 0.561 461 D N 0.445 120.668 120.400 -0.294 0.000 2.144 461 D HA -0.099 4.540 4.640 -0.002 0.000 0.200 461 D C 2.987 179.208 176.300 -0.132 0.000 0.978 461 D CA 1.559 55.458 54.000 -0.170 0.000 0.833 461 D CB -0.106 40.623 40.800 -0.119 0.000 0.961 461 D HN 0.491 8.861 8.370 -0.000 0.000 0.470 462 S N 0.048 115.670 115.700 -0.130 0.000 2.395 462 S HA -0.022 4.447 4.470 -0.002 0.000 0.225 462 S C 2.257 176.822 174.600 -0.059 0.000 1.027 462 S CA 1.024 59.175 58.200 -0.082 0.000 0.965 462 S CB -0.667 62.491 63.200 -0.071 0.000 0.812 462 S HN 0.213 8.523 8.310 -0.000 0.000 0.482 463 G N 2.054 110.804 108.800 -0.083 0.000 2.422 463 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.218 463 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.218 463 G C 1.378 176.293 174.900 0.025 0.000 1.146 463 G CA 1.044 46.153 45.100 0.014 0.000 0.769 463 G HN 0.462 8.752 8.290 -0.000 0.000 0.547 464 L N 0.297 121.497 121.223 -0.040 0.000 2.056 464 L HA 0.167 4.506 4.340 -0.002 0.000 0.207 464 L C 2.685 179.555 176.870 -0.000 0.000 1.078 464 L CA 1.752 56.587 54.840 -0.008 0.000 0.749 464 L CB -0.521 41.513 42.059 -0.041 0.000 0.901 464 L HN 0.150 8.380 8.230 -0.000 0.000 0.433 465 R N -0.867 119.620 120.500 -0.023 0.000 2.070 465 R HA -0.142 4.197 4.340 -0.002 0.000 0.233 465 R C 2.154 178.457 176.300 0.005 0.000 1.137 465 R CA 1.974 58.063 56.100 -0.019 0.000 0.945 465 R CB -0.465 29.814 30.300 -0.036 0.000 0.845 465 R HN 0.344 8.614 8.270 -0.000 0.000 0.430 466 V N 1.068 120.993 119.914 0.017 0.000 2.324 466 V HA -0.299 3.820 4.120 -0.002 0.000 0.250 466 V C 2.490 178.617 176.094 0.056 0.000 1.060 466 V CA 2.027 64.349 62.300 0.038 0.000 1.042 466 V CB -0.770 31.091 31.823 0.063 0.000 0.650 466 V HN 0.525 8.715 8.190 -0.000 0.000 0.450 467 A N -0.437 122.426 122.820 0.071 0.000 1.877 467 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 467 A C 2.340 179.972 177.584 0.080 0.000 1.186 467 A CA 2.136 54.224 52.037 0.084 0.000 0.620 467 A CB -0.678 18.379 19.000 0.096 0.000 0.822 467 A HN 0.362 8.512 8.150 -0.000 0.000 0.443 468 V N -0.185 119.770 119.914 0.068 0.000 2.626 468 V HA -0.198 3.921 4.120 -0.002 0.000 0.252 468 V C 2.376 178.532 176.094 0.104 0.000 1.067 468 V CA 2.080 64.430 62.300 0.082 0.000 1.081 468 V CB -0.568 31.289 31.823 0.056 0.000 0.686 468 V HN 0.711 8.901 8.190 -0.000 0.000 0.468 469 E N 0.161 120.406 120.200 0.074 0.000 2.112 469 E HA -0.111 4.238 4.350 -0.002 0.000 0.190 469 E C 2.301 178.989 176.600 0.146 0.000 0.979 469 E CA 0.972 57.427 56.400 0.092 0.000 0.814 469 E CB -0.133 29.588 29.700 0.035 0.000 0.762 469 E HN 0.567 8.927 8.360 -0.000 0.000 0.460 470 A N 0.702 123.584 122.820 0.103 0.000 1.972 470 A HA -0.152 4.167 4.320 -0.002 0.000 0.219 470 A C 1.992 179.648 177.584 0.120 0.000 1.169 470 A CA 0.875 52.970 52.037 0.097 0.000 0.635 470 A CB -0.339 18.698 19.000 0.063 0.000 0.810 470 A HN 0.258 8.408 8.150 -0.000 0.000 0.446 471 L N -2.123 119.177 121.223 0.128 0.000 2.217 471 L HA -0.018 4.321 4.340 -0.002 0.000 0.211 471 L C 2.184 179.130 176.870 0.126 0.000 1.107 471 L CA 1.479 56.390 54.840 0.120 0.000 0.783 471 L CB -0.918 41.210 42.059 0.115 0.000 0.919 471 L HN 0.595 8.825 8.230 -0.000 0.000 0.442 472 Y N 0.088 120.412 120.300 0.039 0.000 2.220 472 Y HA -0.200 4.349 4.550 -0.002 0.000 0.291 472 Y C 2.252 178.159 175.900 0.012 0.000 1.129 472 Y CA 1.667 59.782 58.100 0.026 0.000 1.161 472 Y CB -0.035 38.441 38.460 0.027 0.000 0.997 472 Y HN 0.216 8.496 8.280 -0.000 0.000 0.522 473 D N 0.064 120.533 120.400 0.114 0.000 2.178 473 D HA -0.144 4.495 4.640 -0.002 0.000 0.201 473 D C 2.193 178.467 176.300 -0.042 0.000 0.980 473 D CA 1.298 55.312 54.000 0.024 0.000 0.842 473 D CB -0.339 40.523 40.800 0.104 0.000 0.948 473 D HN 0.495 8.865 8.370 -0.000 0.000 0.472 474 A N 0.971 123.814 122.820 0.038 0.000 1.897 474 A HA 0.031 4.350 4.320 -0.002 0.000 0.215 474 A C 2.283 179.841 177.584 -0.043 0.000 1.181 474 A CA 1.762 53.852 52.037 0.089 0.000 0.620 474 A CB -0.488 18.597 19.000 0.143 0.000 0.821 474 A HN 0.216 8.366 8.150 -0.000 0.000 0.443 475 A N -0.499 122.259 122.820 -0.103 0.000 2.067 475 A HA -0.107 4.212 4.320 -0.002 0.000 0.219 475 A C 1.773 179.211 177.584 -0.244 0.000 1.158 475 A CA 1.827 53.771 52.037 -0.154 0.000 0.661 475 A CB -0.472 18.432 19.000 -0.160 0.000 0.801 475 A HN 0.449 8.599 8.150 -0.000 0.000 0.452 476 D N 0.075 120.277 120.400 -0.330 0.000 2.144 476 D HA -0.094 4.545 4.640 -0.002 0.000 0.200 476 D C 0.771 176.876 176.300 -0.324 0.000 0.978 476 D CA 1.262 55.061 54.000 -0.335 0.000 0.833 476 D CB -0.026 40.574 40.800 -0.333 0.000 0.961 476 D HN 0.406 8.776 8.370 -0.000 0.000 0.470 477 D N -0.709 119.411 120.400 -0.466 0.000 2.369 477 D HA 0.051 4.690 4.640 -0.002 0.000 0.211 477 D C -0.332 175.663 176.300 -0.509 0.000 1.077 477 D CA 0.073 53.652 54.000 -0.701 0.000 0.842 477 D CB 0.627 40.512 40.800 -1.524 0.000 0.947 477 D HN 0.193 8.563 8.370 -0.000 0.000 0.509 478 D N -0.229 120.023 120.400 -0.248 0.000 2.696 478 D HA 0.091 4.730 4.640 -0.002 0.000 0.251 478 D C 1.036 177.315 176.300 -0.035 0.000 1.188 478 D CA -0.527 53.456 54.000 -0.027 0.000 0.876 478 D CB 1.611 42.501 40.800 0.150 0.000 1.334 478 D HN -0.205 8.165 8.370 -0.000 0.000 0.540 479 S N 2.353 118.040 115.700 -0.022 0.000 2.481 479 S HA -0.028 4.441 4.470 -0.002 0.000 0.231 479 S C 1.805 176.395 174.600 -0.016 0.000 0.996 479 S CA 0.520 58.702 58.200 -0.030 0.000 0.942 479 S CB -0.035 63.150 63.200 -0.025 0.000 0.768 479 S HN 0.464 8.774 8.310 -0.000 0.000 0.520 480 A N 1.003 123.830 122.820 0.012 0.000 2.169 480 A HA 0.271 4.590 4.320 -0.002 0.000 0.212 480 A C 1.016 178.606 177.584 0.010 0.000 1.153 480 A CA 0.435 52.481 52.037 0.014 0.000 0.756 480 A CB -0.345 18.687 19.000 0.053 0.000 0.813 480 A HN 0.437 8.587 8.150 -0.000 0.000 0.471 481 T N 0.553 115.112 114.554 0.008 0.000 2.771 481 T HA 0.525 4.874 4.350 -0.002 0.000 0.281 481 T C 0.270 174.954 174.700 -0.028 0.000 0.982 481 T CA 0.025 62.127 62.100 0.004 0.000 0.978 481 T CB 1.511 70.394 68.868 0.024 0.000 0.930 481 T HN 0.316 8.556 8.240 -0.000 0.000 0.447 482 G N 1.571 110.354 108.800 -0.028 0.000 2.356 482 G HA2 0.586 4.545 3.960 -0.002 0.000 0.298 482 G HA3 0.586 4.545 3.960 -0.002 0.000 0.298 482 G C 0.325 175.199 174.900 -0.044 0.000 1.145 482 G CA -0.619 44.453 45.100 -0.046 0.000 0.850 482 G HN 0.858 9.148 8.290 -0.000 0.000 0.487 483 G N 1.167 109.928 108.800 -0.066 0.000 2.532 483 G HA2 0.688 4.647 3.960 -0.002 0.000 0.291 483 G HA3 0.688 4.647 3.960 -0.002 0.000 0.291 483 G C -2.188 172.700 174.900 -0.020 0.000 1.349 483 G CA -1.152 43.926 45.100 -0.036 0.000 1.038 483 G HN 0.584 8.874 8.290 -0.000 0.000 0.518 484 P HA 0.084 4.504 4.420 -0.000 0.000 0.262 484 P C -1.036 176.145 177.300 -0.199 0.000 1.199 484 P CA 0.053 63.111 63.100 -0.071 0.000 0.763 484 P CB 0.950 32.763 31.700 0.188 0.000 0.790 485 D N 3.872 124.037 120.400 -0.391 0.000 2.411 485 D HA 0.066 4.705 4.640 -0.002 0.000 0.225 485 D C 0.864 176.950 176.300 -0.356 0.000 1.156 485 D CA -0.413 53.411 54.000 -0.293 0.000 0.874 485 D CB 0.497 41.151 40.800 -0.242 0.000 1.034 485 D HN 0.014 8.384 8.370 -0.000 0.000 0.502 486 L N 3.989 125.111 121.223 -0.168 0.000 2.313 486 L HA -0.056 4.283 4.340 -0.002 0.000 0.214 486 L C 2.336 179.185 176.870 -0.034 0.000 1.119 486 L CA 0.617 55.421 54.840 -0.060 0.000 0.809 486 L CB -0.273 41.811 42.059 0.042 0.000 0.933 486 L HN 0.346 8.576 8.230 -0.000 0.000 0.449 487 V N -0.799 119.084 119.914 -0.052 0.000 2.379 487 V HA -0.177 3.942 4.120 -0.002 0.000 0.245 487 V C 2.377 178.450 176.094 -0.034 0.000 1.044 487 V CA 1.483 63.765 62.300 -0.029 0.000 1.036 487 V CB -0.416 31.390 31.823 -0.029 0.000 0.664 487 V HN 0.393 8.583 8.190 -0.000 0.000 0.453 488 R N -0.225 120.234 120.500 -0.069 0.000 2.290 488 R HA 0.285 4.624 4.340 -0.002 0.000 0.197 488 R C 1.366 177.631 176.300 -0.059 0.000 0.913 488 R CA 0.629 56.695 56.100 -0.057 0.000 1.040 488 R CB 0.358 30.617 30.300 -0.068 0.000 0.992 488 R HN 0.539 8.809 8.270 -0.000 0.000 0.500 489 G N 2.206 110.932 108.800 -0.124 0.000 2.289 489 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.280 489 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.280 489 G C -0.144 174.646 174.900 -0.184 0.000 1.089 489 G CA -0.157 44.898 45.100 -0.074 0.000 0.939 489 G HN 0.209 8.499 8.290 -0.000 0.000 0.499 490 I N -0.416 119.845 120.570 -0.515 0.000 2.378 490 I HA 0.708 4.877 4.170 -0.002 0.000 0.291 490 I C 0.081 175.805 176.117 -0.655 0.000 0.992 490 I CA -0.899 60.201 61.300 -0.334 0.000 1.154 490 I CB 1.222 39.110 38.000 -0.186 0.000 1.315 490 I HN 0.031 8.241 8.210 -0.000 0.000 0.448 491 F N 5.134 125.091 119.950 0.012 0.000 2.640 491 F HA 0.587 5.113 4.527 -0.001 0.000 0.324 491 F C -2.315 173.493 175.800 0.014 0.000 1.077 491 F CA -2.432 55.579 58.000 0.018 0.000 0.965 491 F CB 0.872 39.882 39.000 0.017 0.000 1.351 491 F HN 0.187 8.487 8.300 -0.000 0.000 0.487 492 P HA 0.134 4.554 4.420 -0.000 0.000 0.269 492 P C -0.620 176.744 177.300 0.107 0.000 1.217 492 P CA -0.193 62.980 63.100 0.122 0.000 0.783 492 P CB 0.432 32.205 31.700 0.122 0.000 0.898 493 T N -1.367 113.218 114.554 0.052 0.000 2.925 493 T HA 0.816 5.165 4.350 -0.002 0.000 0.285 493 T C -0.590 174.124 174.700 0.024 0.000 1.021 493 T CA -0.752 61.364 62.100 0.027 0.000 1.042 493 T CB 1.445 70.300 68.868 -0.022 0.000 1.037 493 T HN 0.455 8.695 8.240 -0.000 0.000 0.481 494 A N 1.373 124.207 122.820 0.024 0.000 2.587 494 A HA 0.814 5.133 4.320 -0.002 0.000 0.293 494 A C -1.243 176.364 177.584 0.037 0.000 1.087 494 A CA -0.817 51.242 52.037 0.036 0.000 0.692 494 A CB 1.905 20.931 19.000 0.045 0.000 1.291 494 A HN 0.944 9.094 8.150 -0.000 0.000 0.407 495 V N 1.277 121.226 119.914 0.058 0.000 2.841 495 V HA 0.611 4.730 4.120 -0.002 0.000 0.310 495 V C -0.932 175.218 176.094 0.094 0.000 1.090 495 V CA -0.348 61.992 62.300 0.066 0.000 0.930 495 V CB 1.895 33.762 31.823 0.074 0.000 1.014 495 V HN 0.893 9.083 8.190 -0.000 0.000 0.425 496 I N 4.873 125.499 120.570 0.094 0.000 2.608 496 I HA 0.682 4.851 4.170 -0.002 0.000 0.295 496 I C -1.435 174.755 176.117 0.122 0.000 1.049 496 I CA -0.659 60.726 61.300 0.143 0.000 1.063 496 I CB 1.799 39.886 38.000 0.144 0.000 1.248 496 I HN 0.590 8.800 8.210 -0.000 0.000 0.424 497 I N 6.610 127.272 120.570 0.154 0.000 2.512 497 I HA 0.413 4.582 4.170 -0.002 0.000 0.287 497 I C -1.443 174.718 176.117 0.073 0.000 1.069 497 I CA -0.505 60.857 61.300 0.103 0.000 1.056 497 I CB 1.680 39.773 38.000 0.154 0.000 1.229 497 I HN 0.568 8.778 8.210 -0.000 0.000 0.429 498 D N 4.701 125.054 120.400 -0.079 0.000 2.801 498 D HA 0.490 5.129 4.640 -0.002 0.000 0.277 498 D C 0.967 176.821 176.300 -0.742 0.000 1.125 498 D CA -0.592 53.196 54.000 -0.353 0.000 1.102 498 D CB 0.803 41.536 40.800 -0.113 0.000 1.400 498 D HN 0.354 8.724 8.370 -0.000 0.000 0.601 499 A N -0.552 121.705 122.820 -0.939 0.000 2.032 499 A HA -0.180 4.139 4.320 -0.002 0.000 0.221 499 A C 1.198 178.717 177.584 -0.109 0.000 1.165 499 A CA 1.716 53.392 52.037 -0.602 0.000 0.645 499 A CB -0.797 18.028 19.000 -0.292 0.000 0.807 499 A HN 0.529 8.679 8.150 -0.000 0.000 0.453 500 D N -0.701 119.637 120.400 -0.103 0.000 2.328 500 D HA 0.358 4.997 4.640 -0.002 0.000 0.226 500 D C 1.076 177.311 176.300 -0.110 0.000 1.066 500 D CA 1.235 55.209 54.000 -0.044 0.000 0.861 500 D CB -0.032 40.740 40.800 -0.047 0.000 0.912 500 D HN 0.647 9.017 8.370 -0.000 0.000 0.521 501 G N 0.393 109.075 108.800 -0.196 0.000 2.592 501 G HA2 0.098 4.057 3.960 -0.002 0.000 0.684 501 G HA3 0.098 4.057 3.960 -0.002 0.000 0.684 501 G C -0.595 174.151 174.900 -0.258 0.000 1.291 501 G CA -0.524 44.271 45.100 -0.508 0.000 0.891 501 G HN 0.350 8.640 8.290 -0.000 0.000 0.544 502 A N -0.945 121.728 122.820 -0.245 0.000 2.328 502 A HA 0.914 5.233 4.320 -0.002 0.000 0.284 502 A C 0.466 178.020 177.584 -0.050 0.000 1.160 502 A CA 0.354 52.341 52.037 -0.082 0.000 0.818 502 A CB 1.241 20.220 19.000 -0.035 0.000 1.087 502 A HN 2.442 10.592 8.150 -0.000 0.000 0.504 503 V N 2.096 122.005 119.914 -0.008 0.000 2.808 503 V HA 0.413 4.532 4.120 -0.002 0.000 0.308 503 V C -1.184 174.921 176.094 0.018 0.000 1.099 503 V CA -0.991 61.308 62.300 -0.002 0.000 0.920 503 V CB 1.983 33.798 31.823 -0.013 0.000 1.014 503 V HN 0.855 9.045 8.190 -0.000 0.000 0.425 504 D N 4.055 124.467 120.400 0.019 0.000 2.458 504 D HA 0.198 4.837 4.640 -0.002 0.000 0.243 504 D C 0.238 176.547 176.300 0.014 0.000 1.146 504 D CA 0.442 54.456 54.000 0.022 0.000 0.877 504 D CB 1.827 42.642 40.800 0.025 0.000 1.176 504 D HN 0.519 8.889 8.370 -0.000 0.000 0.461 505 V N 5.327 125.250 119.914 0.015 0.000 2.614 505 V HA 0.124 4.243 4.120 -0.002 0.000 0.291 505 V C -1.565 174.526 176.094 -0.004 0.000 1.049 505 V CA -1.096 61.206 62.300 0.003 0.000 1.038 505 V CB 0.872 32.698 31.823 0.004 0.000 0.980 505 V HN 0.477 8.667 8.190 -0.000 0.000 0.481 506 P HA 0.151 4.571 4.420 -0.000 0.000 0.275 506 P C 0.614 177.891 177.300 -0.039 0.000 1.227 506 P CA -0.261 62.827 63.100 -0.020 0.000 0.781 506 P CB 1.106 32.791 31.700 -0.025 0.000 0.906 507 E N 2.284 122.467 120.200 -0.028 0.000 2.114 507 E HA -0.261 4.088 4.350 -0.002 0.000 0.199 507 E C 1.737 178.240 176.600 -0.162 0.000 1.008 507 E CA 2.254 58.624 56.400 -0.050 0.000 0.810 507 E CB -0.102 29.608 29.700 0.017 0.000 0.739 507 E HN 0.555 8.915 8.360 -0.000 0.000 0.456 508 S N 0.412 116.037 115.700 -0.125 0.000 2.359 508 S HA -0.263 4.206 4.470 -0.002 0.000 0.224 508 S C 2.029 176.522 174.600 -0.178 0.000 1.035 508 S CA 1.346 59.452 58.200 -0.157 0.000 1.018 508 S CB -0.479 62.666 63.200 -0.091 0.000 0.876 508 S HN 0.200 8.510 8.310 -0.000 0.000 0.448 509 R N 1.442 121.866 120.500 -0.127 0.000 2.105 509 R HA 0.127 4.466 4.340 -0.002 0.000 0.239 509 R C 2.071 178.281 176.300 -0.150 0.000 1.135 509 R CA 1.764 57.795 56.100 -0.115 0.000 0.967 509 R CB -0.953 29.300 30.300 -0.078 0.000 0.861 509 R HN 0.624 8.894 8.270 -0.000 0.000 0.442 510 I N -0.098 120.364 120.570 -0.180 0.000 2.439 510 I HA -0.100 4.069 4.170 -0.002 0.000 0.251 510 I C 2.092 177.994 176.117 -0.359 0.000 1.139 510 I CA 1.011 62.197 61.300 -0.189 0.000 1.438 510 I CB -0.189 37.752 38.000 -0.099 0.000 1.085 510 I HN 0.301 8.511 8.210 -0.000 0.000 0.427 511 A N -0.087 122.323 122.820 -0.683 0.000 1.968 511 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 511 A C 2.325 179.657 177.584 -0.419 0.000 1.169 511 A CA 1.299 52.689 52.037 -1.079 0.000 0.638 511 A CB -0.415 17.811 19.000 -1.290 0.000 0.812 511 A HN 0.422 8.572 8.150 -0.000 0.000 0.446 512 E N -0.365 119.666 120.200 -0.281 0.000 2.047 512 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 512 E C 1.854 178.381 176.600 -0.122 0.000 0.987 512 E CA 1.060 57.365 56.400 -0.158 0.000 0.799 512 E CB -0.163 29.459 29.700 -0.129 0.000 0.752 512 E HN 0.361 8.721 8.360 -0.000 0.000 0.449 513 L N 1.239 122.388 121.223 -0.123 0.000 1.994 513 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 513 L C 2.534 179.356 176.870 -0.079 0.000 1.071 513 L CA 2.110 56.897 54.840 -0.088 0.000 0.745 513 L CB -1.282 40.733 42.059 -0.073 0.000 0.892 513 L HN 0.165 8.395 8.230 -0.000 0.000 0.431 514 A N -1.048 121.734 122.820 -0.063 0.000 1.908 514 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 514 A C 2.501 180.069 177.584 -0.027 0.000 1.181 514 A CA 1.891 53.925 52.037 -0.005 0.000 0.627 514 A CB -0.539 18.559 19.000 0.163 0.000 0.818 514 A HN 0.381 8.531 8.150 -0.000 0.000 0.445 515 R N -0.821 119.665 120.500 -0.022 0.000 2.081 515 R HA -0.107 4.232 4.340 -0.002 0.000 0.235 515 R C 2.447 178.717 176.300 -0.051 0.000 1.131 515 R CA 1.296 57.387 56.100 -0.015 0.000 0.960 515 R CB -0.387 29.904 30.300 -0.014 0.000 0.856 515 R HN 0.524 8.794 8.270 -0.000 0.000 0.436 516 A N 0.671 123.451 122.820 -0.067 0.000 1.930 516 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 516 A C 2.061 179.584 177.584 -0.102 0.000 1.175 516 A CA 1.170 53.164 52.037 -0.072 0.000 0.627 516 A CB -0.410 18.549 19.000 -0.067 0.000 0.815 516 A HN 0.237 8.387 8.150 -0.000 0.000 0.443 517 I N -0.418 120.063 120.570 -0.149 0.000 2.252 517 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 517 I C 2.250 178.201 176.117 -0.276 0.000 1.102 517 I CA 1.219 62.377 61.300 -0.238 0.000 1.385 517 I CB -0.343 37.430 38.000 -0.378 0.000 1.064 517 I HN 0.281 8.491 8.210 -0.000 0.000 0.414 518 I N 0.592 121.009 120.570 -0.254 0.000 2.226 518 I HA -0.282 3.887 4.170 -0.002 0.000 0.245 518 I C 2.503 178.578 176.117 -0.070 0.000 1.100 518 I CA 1.399 62.609 61.300 -0.149 0.000 1.374 518 I CB -0.348 37.627 38.000 -0.042 0.000 1.057 518 I HN 0.203 8.413 8.210 -0.000 0.000 0.413 519 E N 0.519 120.683 120.200 -0.060 0.000 2.021 519 E HA -0.274 4.075 4.350 -0.002 0.000 0.200 519 E C 2.319 178.895 176.600 -0.040 0.000 1.015 519 E CA 2.160 58.538 56.400 -0.038 0.000 0.824 519 E CB -0.202 29.475 29.700 -0.038 0.000 0.762 519 E HN 0.298 8.658 8.360 -0.000 0.000 0.454 520 S N -0.226 115.440 115.700 -0.056 0.000 2.359 520 S HA -0.234 4.235 4.470 -0.002 0.000 0.222 520 S C 1.988 176.567 174.600 -0.034 0.000 1.038 520 S CA 1.383 59.556 58.200 -0.046 0.000 1.051 520 S CB -0.206 62.960 63.200 -0.057 0.000 0.944 520 S HN 0.156 8.466 8.310 -0.000 0.000 0.433 521 R N 1.050 121.523 120.500 -0.046 0.000 2.133 521 R HA -0.007 4.332 4.340 -0.002 0.000 0.247 521 R C 1.766 178.071 176.300 0.008 0.000 1.151 521 R CA 0.922 57.017 56.100 -0.007 0.000 0.971 521 R CB -1.438 28.873 30.300 0.018 0.000 0.866 521 R HN 0.453 8.723 8.270 -0.000 0.000 0.447 522 S N 0.000 115.701 115.700 0.002 0.000 2.498 522 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 522 S CA 0.000 58.205 58.200 0.009 0.000 1.107 522 S CB 0.000 63.207 63.200 0.012 0.000 0.593 522 S HN 0.000 8.310 8.310 -0.000 0.000 0.517