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 2klf_1_A DATA FIRST_RESID 1 DATA SEQUENCE KTEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 K HA 0.000 4.330 4.320 0.017 0.000 0.191 1 K C 0.000 176.610 176.600 0.017 0.000 0.988 1 K CA 0.000 56.296 56.287 0.015 0.000 0.838 1 K CB 0.000 32.508 32.500 0.013 0.000 1.064 2 T N 2.407 116.974 114.554 0.021 0.000 3.008 2 T HA 0.207 4.569 4.350 0.020 0.000 0.328 2 T C -1.385 173.331 174.700 0.027 0.000 1.020 2 T CA -0.149 61.965 62.100 0.023 0.000 1.043 2 T CB 0.494 69.378 68.868 0.027 0.000 1.010 2 T HN 0.105 8.359 8.240 0.023 0.000 0.466 3 E N 4.495 124.709 120.200 0.023 0.000 2.256 3 E HA 0.257 4.627 4.350 0.033 0.000 0.267 3 E C -1.311 175.303 176.600 0.024 0.000 0.892 3 E CA -0.233 56.182 56.400 0.025 0.000 0.775 3 E CB 1.689 31.400 29.700 0.018 0.000 1.207 3 E HN 0.202 8.573 8.360 0.019 0.000 0.420 4 E N 1.019 121.236 120.200 0.029 0.000 2.450 4 E HA 0.214 4.575 4.350 0.019 0.000 0.272 4 E C -1.043 175.573 176.600 0.026 0.000 0.967 4 E CA -0.773 55.641 56.400 0.024 0.000 0.818 4 E CB 2.588 32.301 29.700 0.022 0.000 1.401 4 E HN 0.146 8.528 8.360 0.037 0.000 0.450 5 G N -0.403 108.408 108.800 0.019 0.000 4.885 5 G HA2 0.206 4.398 3.960 0.035 0.000 0.263 5 G HA3 0.206 4.178 3.960 0.020 0.000 0.263 5 G C -2.081 172.823 174.900 0.007 0.000 1.168 5 G CA -0.164 44.949 45.100 0.021 0.000 0.906 5 G HN 0.170 8.468 8.290 0.013 0.000 0.575 6 K N -0.863 119.534 120.400 -0.005 0.000 2.536 6 K HA 0.527 4.987 4.320 -0.033 -0.160 0.269 6 K C -2.759 173.806 176.600 -0.059 0.000 0.965 6 K CA -1.449 54.819 56.287 -0.031 0.000 0.860 6 K CB 3.398 35.880 32.500 -0.030 0.000 1.423 6 K HN -0.467 7.785 8.250 0.002 0.000 0.438 7 L N 2.836 123.999 121.223 -0.099 0.000 2.580 7 L HA 0.336 4.604 4.340 -0.121 0.000 0.266 7 L C -2.725 174.047 176.870 -0.163 0.000 0.955 7 L CA -0.333 54.417 54.840 -0.149 0.000 0.886 7 L CB 3.640 45.550 42.059 -0.247 0.000 1.263 7 L HN 0.877 9.051 8.230 -0.095 0.000 0.406 8 V N 6.595 126.416 119.914 -0.155 0.000 2.513 8 V HA 0.651 4.791 4.120 -0.213 -0.148 0.299 8 V C -1.136 174.845 176.094 -0.188 0.000 1.035 8 V CA -1.297 60.882 62.300 -0.202 0.000 0.889 8 V CB 2.293 33.969 31.823 -0.245 0.000 0.988 8 V HN 0.311 8.428 8.190 -0.123 0.000 0.440 9 I N 6.170 126.614 120.570 -0.211 0.000 2.499 9 I HA 0.312 4.455 4.170 -0.045 0.000 0.288 9 I C -2.818 173.268 176.117 -0.052 0.000 1.048 9 I CA -1.377 59.858 61.300 -0.109 0.000 1.062 9 I CB 3.925 41.857 38.000 -0.112 0.000 1.238 9 I HN 1.040 8.994 8.210 -0.253 0.105 0.426 10 W N 8.509 129.812 121.300 0.004 0.000 2.391 10 W HA 0.508 5.349 4.660 0.043 -0.155 0.311 10 W C -1.338 175.246 176.519 0.109 0.000 1.087 10 W CA -2.198 55.175 57.345 0.046 0.000 1.209 10 W CB 1.807 31.297 29.460 0.050 0.000 1.273 10 W HN -0.044 8.163 8.180 0.219 0.104 0.482 11 I N 2.333 123.160 120.570 0.428 0.000 2.692 11 I HA 0.249 4.919 4.170 0.587 -0.148 0.293 11 I C -1.755 174.573 176.117 0.352 0.000 1.200 11 I CA -1.465 60.073 61.300 0.396 0.000 1.036 11 I CB 3.310 41.403 38.000 0.156 0.000 1.258 11 I HN 0.710 9.211 8.210 0.485 0.000 0.421 12 N N 3.274 122.181 118.700 0.344 0.000 2.458 12 N HA 0.168 5.046 4.740 0.230 0.000 0.274 12 N C 0.030 175.652 175.510 0.187 0.000 1.242 12 N CA -0.034 53.142 53.050 0.211 0.000 0.904 12 N CB -0.064 38.474 38.487 0.085 0.000 1.206 12 N HN 0.208 8.877 8.380 0.483 0.000 0.510 13 G N -1.115 107.802 108.800 0.196 0.000 2.921 13 G HA2 -0.089 3.951 3.960 0.132 0.000 0.213 13 G HA3 -0.089 3.954 3.960 0.137 0.000 0.213 13 G C -0.561 174.359 174.900 0.033 0.000 1.143 13 G CA -0.354 44.822 45.100 0.128 0.000 0.764 13 G HN -0.121 8.222 8.290 0.209 0.073 0.542 14 D N -1.674 118.710 120.400 -0.026 0.000 3.026 14 D HA -0.364 3.997 4.640 -0.466 0.000 0.248 14 D C -1.301 174.917 176.300 -0.136 0.000 1.100 14 D CA 1.383 55.273 54.000 -0.184 0.000 0.855 14 D CB -1.148 39.596 40.800 -0.094 0.000 1.011 14 D HN 0.127 8.514 8.370 0.028 0.000 0.423 15 K N -0.439 119.888 120.400 -0.122 0.000 4.871 15 K HA -0.012 4.298 4.320 -0.017 0.000 0.634 15 K C -1.390 175.187 176.600 -0.038 0.000 0.978 15 K CA 0.133 56.393 56.287 -0.044 0.000 0.948 15 K CB 0.895 33.375 32.500 -0.033 0.000 1.812 15 K HN -0.483 7.680 8.250 -0.147 0.000 0.841 16 G N -1.771 107.012 108.800 -0.028 0.000 2.147 16 G HA2 -0.230 3.690 3.960 -0.066 0.000 0.244 16 G HA3 -0.230 3.655 3.960 -0.125 0.000 0.244 16 G C 0.442 175.294 174.900 -0.081 0.000 1.005 16 G CA 0.559 45.614 45.100 -0.075 0.000 0.713 16 G HN 0.431 8.715 8.290 -0.011 0.000 0.515 17 Y N 0.428 120.697 120.300 -0.051 0.000 2.314 17 Y HA -0.192 4.337 4.550 -0.036 0.000 0.294 17 Y C 1.439 177.313 175.900 -0.044 0.000 1.119 17 Y CA 2.266 60.344 58.100 -0.037 0.000 1.179 17 Y CB 0.188 38.637 38.460 -0.017 0.000 1.025 17 Y HN 0.001 8.383 8.280 0.171 0.000 0.541 18 N N -1.497 117.272 118.700 0.115 0.000 2.080 18 N HA -0.257 4.523 4.740 0.067 0.000 0.189 18 N C 2.185 177.693 175.510 -0.002 0.000 1.036 18 N CA 3.189 56.269 53.050 0.051 0.000 0.846 18 N CB -0.749 37.755 38.487 0.028 0.000 1.015 18 N HN 0.070 8.516 8.380 0.111 0.000 0.423 19 G N -1.163 107.614 108.800 -0.038 0.000 2.394 19 G HA2 -0.228 3.685 3.960 -0.078 0.000 0.214 19 G HA3 -0.228 3.673 3.960 -0.097 0.000 0.214 19 G C 1.235 176.062 174.900 -0.120 0.000 1.176 19 G CA 1.504 46.553 45.100 -0.084 0.000 0.786 19 G HN 0.167 8.439 8.290 -0.030 0.000 0.533 20 L N 1.796 122.941 121.223 -0.131 0.000 1.989 20 L HA -0.235 4.012 4.340 -0.156 0.000 0.211 20 L C 1.798 178.579 176.870 -0.148 0.000 1.071 20 L CA 2.614 57.357 54.840 -0.163 0.000 0.749 20 L CB -0.943 40.987 42.059 -0.215 0.000 0.890 20 L HN -0.655 7.502 8.230 -0.122 0.000 0.431 21 A N -2.380 120.383 122.820 -0.094 0.000 1.930 21 A HA -0.274 4.005 4.320 -0.069 0.000 0.217 21 A C 2.497 180.060 177.584 -0.035 0.000 1.175 21 A CA 2.830 54.843 52.037 -0.040 0.000 0.627 21 A CB -0.619 18.421 19.000 0.067 0.000 0.815 21 A HN -0.343 7.762 8.150 -0.076 0.000 0.443 22 E N -1.345 118.832 120.200 -0.039 0.000 2.106 22 E HA -0.351 3.996 4.350 -0.005 0.000 0.192 22 E C 2.337 178.899 176.600 -0.063 0.000 0.984 22 E CA 2.937 59.318 56.400 -0.032 0.000 0.806 22 E CB 0.012 29.694 29.700 -0.030 0.000 0.750 22 E HN -0.457 7.779 8.360 -0.039 0.101 0.458 23 V N 0.144 119.965 119.914 -0.155 0.000 2.229 23 V HA -0.340 3.595 4.120 -0.308 0.000 0.243 23 V C 2.429 178.447 176.094 -0.126 0.000 1.042 23 V CA 3.047 65.162 62.300 -0.308 0.000 1.000 23 V CB -0.826 30.638 31.823 -0.598 0.000 0.637 23 V HN 0.059 8.154 8.190 -0.159 0.000 0.446 24 G N -1.664 107.063 108.800 -0.122 0.000 2.503 24 G HA2 -0.449 3.467 3.960 -0.072 0.000 0.221 24 G HA3 -0.449 3.417 3.960 -0.155 0.000 0.221 24 G C 1.221 176.169 174.900 0.081 0.000 1.131 24 G CA 2.326 47.385 45.100 -0.069 0.000 0.756 24 G HN -0.240 7.948 8.290 -0.171 0.000 0.572 25 K N 1.640 122.068 120.400 0.047 0.000 2.020 25 K HA -0.271 4.091 4.320 0.070 0.000 0.212 25 K C 2.049 178.734 176.600 0.142 0.000 1.050 25 K CA 2.870 59.203 56.287 0.077 0.000 0.929 25 K CB -0.469 32.060 32.500 0.048 0.000 0.714 25 K HN -0.305 7.928 8.250 -0.002 0.016 0.443 26 K N -0.960 119.546 120.400 0.176 0.000 2.074 26 K HA -0.312 4.124 4.320 0.193 0.000 0.209 26 K C 2.734 179.575 176.600 0.402 0.000 1.048 26 K CA 3.214 59.663 56.287 0.269 0.000 0.926 26 K CB -0.449 32.256 32.500 0.341 0.000 0.713 26 K HN -0.419 7.820 8.250 0.117 0.081 0.444 27 F N -2.120 117.946 119.950 0.193 0.000 2.293 27 F HA -0.236 4.408 4.527 0.194 0.000 0.300 27 F C 2.422 178.281 175.800 0.099 0.000 1.086 27 F CA 1.672 59.784 58.000 0.186 0.000 1.375 27 F CB -0.396 38.754 39.000 0.250 0.000 1.045 27 F HN -0.372 8.177 8.300 0.565 0.090 0.516 28 E N 0.152 120.495 120.200 0.240 0.000 2.028 28 E HA -0.312 4.280 4.350 0.107 -0.177 0.190 28 E C 2.855 179.507 176.600 0.086 0.000 0.984 28 E CA 3.090 59.564 56.400 0.124 0.000 0.800 28 E CB -0.273 29.483 29.700 0.092 0.000 0.758 28 E HN 0.076 8.444 8.360 0.263 0.150 0.448 29 K N -1.794 118.663 120.400 0.095 0.000 2.218 29 K HA -0.279 4.072 4.320 0.051 0.000 0.205 29 K C 1.919 178.546 176.600 0.046 0.000 1.046 29 K CA 2.611 58.938 56.287 0.066 0.000 0.933 29 K CB -0.081 32.464 32.500 0.076 0.000 0.728 29 K HN 0.284 8.499 8.250 0.123 0.108 0.454 30 D N -4.331 116.095 120.400 0.043 0.000 2.216 30 D HA 0.020 4.659 4.640 -0.003 0.000 0.208 30 D C 0.444 176.730 176.300 -0.024 0.000 0.960 30 D CA 1.918 55.913 54.000 -0.008 0.000 0.861 30 D CB 1.895 42.659 40.800 -0.060 0.000 0.985 30 D HN -0.590 7.689 8.370 0.078 0.138 0.493 31 T N -3.501 111.044 114.554 -0.014 0.000 5.413 31 T HA -0.038 4.313 4.350 0.002 0.000 0.298 31 T C -1.127 173.572 174.700 -0.002 0.000 0.916 31 T CA 0.542 62.635 62.100 -0.012 0.000 0.393 31 T CB -0.360 68.491 68.868 -0.029 0.000 0.463 31 T HN -0.462 7.691 8.240 0.011 0.093 0.198 32 G N -0.718 108.098 108.800 0.028 0.000 3.829 32 G HA2 -0.078 3.901 3.960 0.032 0.000 0.226 32 G HA3 -0.078 3.897 3.960 0.026 0.000 0.226 32 G C -2.344 172.603 174.900 0.079 0.000 1.243 32 G CA 0.842 45.966 45.100 0.040 0.000 1.211 32 G HN -0.555 7.656 8.290 0.047 0.107 0.641 33 I N -1.053 119.579 120.570 0.103 0.000 2.569 33 I HA 0.158 4.373 4.170 0.075 0.000 0.290 33 I C -1.628 174.519 176.117 0.050 0.000 1.088 33 I CA -0.900 60.465 61.300 0.107 0.000 1.047 33 I CB 3.950 42.093 38.000 0.239 0.000 1.237 33 I HN -0.413 7.855 8.210 0.097 0.000 0.421 34 K N 6.089 126.489 120.400 0.000 0.000 2.690 34 K HA 0.270 4.585 4.320 -0.009 0.000 0.243 34 K C -2.284 174.277 176.600 -0.066 0.000 0.982 34 K CA -0.913 55.362 56.287 -0.020 0.000 0.955 34 K CB 2.130 34.625 32.500 -0.009 0.000 1.185 34 K HN 0.285 8.527 8.250 -0.013 0.000 0.467 35 V N 6.517 126.375 119.914 -0.094 0.000 2.427 35 V HA 0.797 4.986 4.120 -0.163 -0.167 0.286 35 V C -0.502 175.518 176.094 -0.122 0.000 1.034 35 V CA -2.590 59.619 62.300 -0.152 0.000 0.893 35 V CB 2.134 33.812 31.823 -0.242 0.000 0.982 35 V HN 0.432 8.577 8.190 -0.075 0.000 0.452 36 T N 6.484 120.951 114.554 -0.145 0.000 2.885 36 T HA 0.462 4.772 4.350 -0.067 0.000 0.285 36 T C -1.789 172.770 174.700 -0.234 0.000 1.019 36 T CA -2.087 59.935 62.100 -0.130 0.000 1.010 36 T CB 2.217 71.028 68.868 -0.095 0.000 1.022 36 T HN 1.169 9.191 8.240 -0.167 0.117 0.466 37 V N 2.400 122.118 119.914 -0.326 0.000 2.525 37 V HA 0.761 5.002 4.120 -0.262 -0.278 0.299 37 V C -1.133 174.874 176.094 -0.146 0.000 1.034 37 V CA -2.107 59.970 62.300 -0.372 0.000 0.863 37 V CB 2.142 33.571 31.823 -0.656 0.000 0.999 37 V HN 0.293 8.307 8.190 -0.293 0.000 0.423 38 E N 5.921 126.110 120.200 -0.018 0.000 2.195 38 E HA 0.425 4.888 4.350 0.188 0.000 0.271 38 E C -1.726 175.129 176.600 0.425 0.000 0.923 38 E CA -2.486 54.016 56.400 0.171 0.000 0.790 38 E CB 3.967 33.700 29.700 0.056 0.000 1.155 38 E HN 0.416 8.714 8.360 -0.103 0.000 0.402 39 H N 1.790 121.037 119.070 0.295 0.000 2.380 39 H HA 0.897 5.795 4.556 0.255 -0.189 0.231 39 H C -2.213 173.212 175.328 0.162 0.000 1.415 39 H CA -4.045 52.139 56.048 0.228 0.000 1.433 39 H CB -0.515 29.348 29.762 0.169 0.000 1.544 39 H HN 0.451 8.611 8.280 -0.199 0.000 0.503 40 P HA 0.176 4.583 4.420 -0.022 0.000 0.306 40 P C -0.997 176.277 177.300 -0.044 0.000 1.309 40 P CA -1.056 62.046 63.100 0.002 0.000 0.759 40 P CB 2.120 33.834 31.700 0.024 0.000 1.314 41 D N -3.019 117.337 120.400 -0.074 0.000 2.338 41 D HA -0.038 4.546 4.640 -0.094 0.000 0.224 41 D C 1.596 177.788 176.300 -0.180 0.000 0.967 41 D CA 2.037 55.974 54.000 -0.104 0.000 0.896 41 D CB 0.654 41.410 40.800 -0.074 0.000 1.028 41 D HN 0.147 8.482 8.370 -0.060 0.000 0.493 42 K N -0.701 119.588 120.400 -0.184 0.000 2.444 42 K HA -0.006 4.169 4.320 -0.241 0.000 0.193 42 K C 1.746 178.123 176.600 -0.371 0.000 1.024 42 K CA 0.108 56.254 56.287 -0.235 0.000 1.077 42 K CB -0.689 31.717 32.500 -0.158 0.000 0.833 42 K HN 0.073 8.239 8.250 -0.139 0.000 0.517 43 L N -0.375 120.576 121.223 -0.452 0.000 2.166 43 L HA -0.522 3.132 4.340 -1.143 0.000 0.228 43 L C 0.917 177.388 176.870 -0.664 0.000 1.101 43 L CA 3.201 57.587 54.840 -0.757 0.000 0.821 43 L CB -0.375 41.327 42.059 -0.595 0.000 0.908 43 L HN 0.132 8.081 8.230 -0.340 0.077 0.447 44 E N -3.391 116.394 120.200 -0.692 0.000 2.028 44 E HA -0.380 3.567 4.350 -0.671 0.000 0.191 44 E C 1.242 177.517 176.600 -0.542 0.000 0.988 44 E CA 2.620 58.435 56.400 -0.975 0.000 0.799 44 E CB -1.003 27.528 29.700 -1.948 0.000 0.755 44 E HN 0.152 8.078 8.360 -0.685 0.022 0.447 45 E N -0.487 119.477 120.200 -0.395 0.000 2.072 45 E HA -0.271 4.051 4.350 -0.048 0.000 0.191 45 E C 1.692 178.206 176.600 -0.142 0.000 0.985 45 E CA 2.076 58.382 56.400 -0.158 0.000 0.801 45 E CB 0.211 29.857 29.700 -0.090 0.000 0.750 45 E HN -0.312 7.793 8.360 -0.425 0.000 0.452 46 K N -1.077 119.198 120.400 -0.208 0.000 1.991 46 K HA -0.361 3.921 4.320 -0.064 0.000 0.212 46 K C 1.996 178.536 176.600 -0.099 0.000 1.049 46 K CA 3.465 59.659 56.287 -0.156 0.000 0.932 46 K CB -0.170 32.186 32.500 -0.240 0.000 0.717 46 K HN 0.324 8.276 8.250 -0.280 0.130 0.441 47 F N 0.907 120.609 119.950 -0.412 0.000 2.032 47 F HA -0.227 4.402 4.527 0.171 0.000 0.297 47 F C -1.436 174.430 175.800 0.111 0.000 1.125 47 F CA 4.414 62.353 58.000 -0.101 0.000 1.202 47 F CB -2.936 36.026 39.000 -0.063 0.000 0.958 47 F HN 0.048 7.960 8.300 -0.446 0.121 0.491 48 P HA -0.254 3.514 4.420 -1.086 0.000 0.220 48 P C 1.384 178.532 177.300 -0.253 0.000 1.148 48 P CA 2.773 65.467 63.100 -0.676 0.000 0.803 48 P CB -0.424 31.140 31.700 -0.227 0.000 0.782 49 Q N -2.915 116.812 119.800 -0.121 0.000 2.163 49 Q HA -0.149 4.170 4.340 -0.036 0.000 0.198 49 Q C 2.435 178.441 176.000 0.010 0.000 0.954 49 Q CA 3.067 58.849 55.803 -0.035 0.000 0.851 49 Q CB 0.312 29.045 28.738 -0.009 0.000 0.928 49 Q HN -0.321 7.718 8.270 -0.120 0.159 0.459 50 V N -1.377 118.578 119.914 0.070 0.000 2.407 50 V HA -0.053 4.136 4.120 0.114 0.000 0.245 50 V C 1.448 177.615 176.094 0.121 0.000 1.041 50 V CA 1.665 64.055 62.300 0.150 0.000 1.040 50 V CB -1.143 30.878 31.823 0.331 0.000 0.671 50 V HN 0.422 8.462 8.190 0.073 0.194 0.455 51 A N 0.079 122.948 122.820 0.082 0.000 1.958 51 A HA -0.408 4.019 4.320 0.177 0.000 0.221 51 A C 1.739 179.335 177.584 0.020 0.000 1.178 51 A CA 3.104 55.172 52.037 0.052 0.000 0.642 51 A CB -0.872 18.008 19.000 -0.200 0.000 0.816 51 A HN 0.652 8.697 8.150 0.024 0.119 0.453 52 A N -3.659 119.150 122.820 -0.019 0.000 1.903 52 A HA -0.173 4.142 4.320 -0.007 0.000 0.213 52 A C 1.624 179.216 177.584 0.013 0.000 1.185 52 A CA 1.672 53.703 52.037 -0.009 0.000 0.628 52 A CB 0.094 19.078 19.000 -0.025 0.000 0.830 52 A HN -0.583 7.522 8.150 -0.044 0.018 0.446 53 T N -1.278 113.291 114.554 0.024 0.000 2.639 53 T HA -0.223 4.139 4.350 0.020 0.000 0.261 53 T C 1.280 176.000 174.700 0.034 0.000 1.053 53 T CA 2.171 64.288 62.100 0.029 0.000 1.158 53 T CB 0.741 69.630 68.868 0.036 0.000 0.863 53 T HN -0.678 7.501 8.240 0.029 0.079 0.413 54 G N 0.326 109.154 108.800 0.047 0.000 3.870 54 G HA2 -0.037 3.950 3.960 0.045 0.000 0.239 54 G HA3 -0.037 3.945 3.960 0.036 0.000 0.239 54 G C -1.248 173.684 174.900 0.054 0.000 3.909 54 G CA 0.425 45.552 45.100 0.045 0.000 0.525 54 G HN -0.521 7.804 8.290 0.059 0.000 0.243 55 D N 1.730 122.176 120.400 0.077 0.000 2.527 55 D HA -0.014 4.660 4.640 0.057 0.000 0.249 55 D C 0.891 177.228 176.300 0.063 0.000 1.029 55 D CA -0.472 53.577 54.000 0.081 0.000 0.951 55 D CB 1.338 42.228 40.800 0.150 0.000 1.093 55 D HN -0.057 8.364 8.370 0.085 0.000 0.464 56 G N 0.070 108.923 108.800 0.088 0.000 2.536 56 G HA2 -0.315 3.695 3.960 0.084 0.000 0.277 56 G HA3 -0.315 3.675 3.960 0.051 0.000 0.277 56 G C -2.767 172.172 174.900 0.064 0.000 1.155 56 G CA -0.458 44.685 45.100 0.072 0.000 0.960 56 G HN 0.045 8.405 8.290 0.117 0.000 0.544 57 P HA -0.099 4.331 4.420 0.017 0.000 0.253 57 P C -1.873 175.410 177.300 -0.028 0.000 1.170 57 P CA 0.791 63.893 63.100 0.003 0.000 0.806 57 P CB -0.137 31.552 31.700 -0.017 0.000 0.775 58 D N 1.432 121.826 120.400 -0.010 0.000 2.400 58 D HA -0.059 4.624 4.640 -0.122 -0.116 0.119 58 D C -1.723 174.609 176.300 0.053 0.000 0.910 58 D CA 0.219 54.186 54.000 -0.055 0.000 1.313 58 D CB 1.088 41.804 40.800 -0.139 0.000 3.823 58 D HN -0.545 7.839 8.370 0.024 0.000 0.714 59 I N -0.608 119.986 120.570 0.040 0.000 3.062 59 I HA 0.203 4.407 4.170 0.055 0.000 0.318 59 I C -0.797 175.379 176.117 0.098 0.000 1.026 59 I CA -1.594 59.747 61.300 0.068 0.000 1.096 59 I CB 1.823 39.883 38.000 0.099 0.000 1.348 59 I HN 0.518 8.618 8.210 -0.009 0.104 0.543 60 I N -2.509 118.041 120.570 -0.033 0.000 2.533 60 I HA 0.275 4.572 4.170 0.212 0.000 0.290 60 I C -2.032 174.007 176.117 -0.130 0.000 1.056 60 I CA -0.775 60.491 61.300 -0.056 0.000 1.057 60 I CB 2.229 39.939 38.000 -0.483 0.000 1.240 60 I HN -0.164 8.004 8.210 -0.069 0.000 0.423 61 F N 8.458 128.318 119.950 -0.149 0.000 2.445 61 F HA 0.385 4.869 4.527 -0.470 -0.239 0.348 61 F C -2.560 173.164 175.800 -0.126 0.000 1.125 61 F CA -1.784 56.072 58.000 -0.239 0.000 0.983 61 F CB 3.046 42.002 39.000 -0.072 0.000 1.198 61 F HN 0.136 8.495 8.300 0.244 0.087 0.436 62 W N 5.717 126.323 121.300 -1.156 0.000 3.057 62 W HA 0.209 4.285 4.660 -0.973 0.000 0.328 62 W C -2.409 173.655 176.519 -0.759 0.000 1.232 62 W CA -0.955 55.848 57.345 -0.903 0.000 1.187 62 W CB 1.606 30.745 29.460 -0.534 0.000 1.417 62 W HN -0.153 7.247 8.180 -1.302 0.000 0.569 63 A N 0.186 122.966 122.820 -0.066 0.000 2.653 63 A HA -0.300 4.115 4.320 -0.124 -0.170 0.227 63 A C 0.074 177.547 177.584 -0.184 0.000 1.066 63 A CA 1.670 53.690 52.037 -0.029 0.000 0.771 63 A CB 0.445 19.576 19.000 0.220 0.000 0.980 63 A HN 0.315 8.551 8.150 0.142 0.000 0.507 64 H N 2.007 120.993 119.070 -0.139 0.000 2.470 64 H HA -0.210 4.280 4.556 -0.110 0.000 0.289 64 H C 1.406 176.808 175.328 0.123 0.000 1.033 64 H CA 2.209 58.227 56.048 -0.050 0.000 1.331 64 H CB 0.435 30.178 29.762 -0.032 0.000 1.414 64 H HN 0.315 8.651 8.280 0.093 0.000 0.545 65 D N -1.270 119.168 120.400 0.063 0.000 2.127 65 D HA -0.385 4.190 4.640 -0.108 0.000 0.190 65 D C 2.349 178.769 176.300 0.199 0.000 1.000 65 D CA 4.339 58.377 54.000 0.063 0.000 0.839 65 D CB -1.140 39.777 40.800 0.196 0.000 0.955 65 D HN 0.574 9.029 8.370 0.143 0.000 0.446 66 R N -1.219 119.560 120.500 0.465 0.000 2.153 66 R HA -0.056 4.569 4.340 0.475 0.000 0.218 66 R C 2.142 178.923 176.300 0.802 0.000 1.072 66 R CA 2.179 58.695 56.100 0.694 0.000 0.990 66 R CB -0.314 30.528 30.300 0.903 0.000 0.889 66 R HN -0.139 8.464 8.270 0.555 0.000 0.452 67 F N 1.075 121.134 119.950 0.181 0.000 2.269 67 F HA -0.227 4.155 4.527 -0.241 0.000 0.301 67 F C 2.110 178.022 175.800 0.186 0.000 1.082 67 F CA 2.499 60.404 58.000 -0.159 0.000 1.360 67 F CB -0.657 38.008 39.000 -0.557 0.000 1.041 67 F HN -0.616 7.832 8.300 0.417 0.103 0.512 68 G N -1.139 107.838 108.800 0.294 0.000 2.453 68 G HA2 -0.413 3.888 3.960 0.569 0.000 0.215 68 G HA3 -0.413 3.569 3.960 0.038 0.000 0.215 68 G C 1.106 176.130 174.900 0.207 0.000 1.201 68 G CA 2.020 47.276 45.100 0.258 0.000 0.784 68 G HN 0.574 8.753 8.290 0.212 0.237 0.545 69 G N 1.277 110.185 108.800 0.179 0.000 2.511 69 G HA2 -0.274 3.718 3.960 0.054 0.000 0.216 69 G HA3 -0.274 3.736 3.960 0.084 0.000 0.216 69 G C 1.166 176.109 174.900 0.072 0.000 1.218 69 G CA 1.533 46.692 45.100 0.098 0.000 0.788 69 G HN -0.602 7.807 8.290 0.199 0.000 0.560 70 Y N 2.131 122.507 120.300 0.127 0.000 2.181 70 Y HA -0.515 4.164 4.550 0.084 -0.078 0.284 70 Y C 2.566 178.444 175.900 -0.035 0.000 1.179 70 Y CA 3.487 61.642 58.100 0.091 0.000 1.179 70 Y CB -0.332 38.278 38.460 0.250 0.000 0.973 70 Y HN 0.583 9.042 8.280 0.488 0.114 0.519 71 A N -3.497 119.357 122.820 0.057 0.000 1.940 71 A HA -0.350 3.978 4.320 -0.112 -0.076 0.219 71 A C 1.728 179.281 177.584 -0.051 0.000 1.176 71 A CA 2.650 54.657 52.037 -0.049 0.000 0.631 71 A CB -0.766 18.235 19.000 0.001 0.000 0.814 71 A HN -0.082 7.926 8.150 0.112 0.210 0.446 72 Q N -1.914 117.860 119.800 -0.043 0.000 2.008 72 Q HA -0.120 4.155 4.340 -0.109 0.000 0.196 72 Q C 1.863 177.826 176.000 -0.062 0.000 0.973 72 Q CA 2.156 57.913 55.803 -0.076 0.000 0.826 72 Q CB 0.482 29.175 28.738 -0.075 0.000 0.894 72 Q HN 0.019 8.158 8.270 -0.003 0.129 0.439 73 S N -3.239 112.423 115.700 -0.062 0.000 2.539 73 S HA 0.171 4.605 4.470 -0.059 0.000 0.226 73 S C 0.489 175.048 174.600 -0.068 0.000 1.054 73 S CA 1.051 59.208 58.200 -0.072 0.000 0.910 73 S CB 1.556 64.700 63.200 -0.093 0.000 0.818 73 S HN -0.120 8.152 8.310 -0.063 0.000 0.490 74 G N 2.044 110.806 108.800 -0.064 0.000 2.770 74 G HA2 -0.129 3.802 3.960 -0.049 0.000 0.212 74 G HA3 -0.129 3.940 3.960 0.265 0.050 0.212 74 G C -0.863 174.110 174.900 0.120 0.000 1.357 74 G CA 0.887 46.026 45.100 0.065 0.000 0.837 74 G HN -0.728 7.441 8.290 -0.072 0.078 0.610 75 L N -0.490 120.821 121.223 0.147 0.000 2.310 75 L HA 0.069 4.411 4.340 0.004 0.000 0.266 75 L C -2.372 174.549 176.870 0.085 0.000 1.432 75 L CA 0.090 54.940 54.840 0.017 0.000 0.696 75 L CB 1.204 43.157 42.059 -0.175 0.000 0.898 75 L HN -0.292 7.974 8.230 0.245 0.111 0.534 76 L N -0.778 120.444 121.223 -0.002 0.000 2.346 76 L HA 0.299 4.710 4.340 0.004 -0.068 0.274 76 L C -1.431 175.417 176.870 -0.038 0.000 1.007 76 L CA -2.169 52.611 54.840 -0.099 0.000 0.818 76 L CB 3.424 45.234 42.059 -0.415 0.000 1.284 76 L HN -0.535 7.686 8.230 -0.015 0.000 0.424 77 A N 3.909 126.729 122.820 -0.002 0.000 2.798 77 A HA 0.129 4.452 4.320 0.005 0.000 0.316 77 A C -0.835 176.745 177.584 -0.006 0.000 1.506 77 A CA -1.164 50.879 52.037 0.010 0.000 1.162 77 A CB -0.320 18.705 19.000 0.042 0.000 1.138 77 A HN 1.190 9.272 8.150 0.014 0.076 0.532 78 E N 5.072 125.260 120.200 -0.021 0.000 2.734 78 E HA -0.374 3.983 4.350 0.010 0.000 0.235 78 E C -0.425 176.172 176.600 -0.005 0.000 1.107 78 E CA 0.753 57.147 56.400 -0.010 0.000 0.951 78 E CB -0.526 29.152 29.700 -0.037 0.000 0.955 78 E HN -0.292 8.049 8.360 -0.032 0.000 0.515 79 I N 3.923 124.491 120.570 -0.004 0.000 3.141 79 I HA -0.268 3.884 4.170 -0.030 0.000 0.295 79 I C 0.779 176.874 176.117 -0.036 0.000 1.252 79 I CA 1.445 62.724 61.300 -0.034 0.000 1.406 79 I CB 0.415 38.367 38.000 -0.080 0.000 1.333 79 I HN -0.499 7.716 8.210 0.008 0.000 0.594 80 T N 2.098 116.620 114.554 -0.052 0.000 2.810 80 T HA 0.233 4.570 4.350 -0.022 0.000 0.277 80 T C -1.993 172.679 174.700 -0.047 0.000 0.973 80 T CA -2.300 59.778 62.100 -0.037 0.000 0.949 80 T CB -0.024 68.827 68.868 -0.029 0.000 1.075 80 T HN -0.049 8.151 8.240 -0.066 0.000 0.537 81 P HA 0.157 4.573 4.420 -0.006 0.000 0.281 81 P C -1.693 175.600 177.300 -0.010 0.000 1.252 81 P CA -0.155 62.939 63.100 -0.010 0.000 0.778 81 P CB 0.628 32.331 31.700 0.005 0.000 0.895 82 D N 2.144 122.545 120.400 0.002 0.000 2.727 82 D HA 0.095 4.751 4.640 0.027 0.000 0.264 82 D C -0.854 175.482 176.300 0.061 0.000 1.101 82 D CA -0.521 53.499 54.000 0.034 0.000 1.122 82 D CB 2.037 42.867 40.800 0.049 0.000 1.390 82 D HN 0.087 8.462 8.370 0.008 0.000 0.606 83 K N -0.309 120.140 120.400 0.082 0.000 2.506 83 K HA 0.192 4.540 4.320 0.047 0.000 0.237 83 K C 1.131 177.773 176.600 0.070 0.000 1.276 83 K CA 0.347 56.670 56.287 0.060 0.000 0.753 83 K CB 0.046 32.568 32.500 0.037 0.000 1.627 83 K HN -0.035 8.276 8.250 0.102 0.000 0.397 84 A N -0.809 122.051 122.820 0.066 0.000 2.067 84 A HA -0.143 4.178 4.320 0.002 0.000 0.219 84 A C 1.561 179.176 177.584 0.052 0.000 1.158 84 A CA 2.692 54.749 52.037 0.033 0.000 0.661 84 A CB -1.030 17.977 19.000 0.012 0.000 0.801 84 A HN 0.250 8.439 8.150 0.066 0.000 0.452 85 F N -1.160 118.785 119.950 -0.008 0.000 2.051 85 F HA -0.380 4.149 4.527 0.004 0.000 0.296 85 F C 1.056 176.852 175.800 -0.005 0.000 1.122 85 F CA 3.298 61.302 58.000 0.007 0.000 1.201 85 F CB -0.422 38.600 39.000 0.037 0.000 0.978 85 F HN -0.356 8.066 8.300 0.266 0.038 0.472 86 Q N -4.005 115.996 119.800 0.335 0.000 2.245 86 Q HA -0.260 4.228 4.340 0.246 0.000 0.201 86 Q C 2.232 178.244 176.000 0.020 0.000 0.955 86 Q CA 2.992 58.910 55.803 0.191 0.000 0.870 86 Q CB -0.350 28.482 28.738 0.157 0.000 0.945 86 Q HN 0.057 8.520 8.270 0.322 0.000 0.461 87 D N -1.310 119.092 120.400 0.004 0.000 2.347 87 D HA -0.080 4.512 4.640 -0.080 0.000 0.215 87 D C 0.849 177.076 176.300 -0.121 0.000 0.976 87 D CA 1.753 55.716 54.000 -0.062 0.000 0.884 87 D CB -0.454 40.324 40.800 -0.036 0.000 0.915 87 D HN 0.020 8.334 8.370 0.054 0.088 0.526 88 K N -3.053 117.260 120.400 -0.144 0.000 2.356 88 K HA 0.031 4.255 4.320 -0.160 0.000 0.195 88 K C -0.215 176.197 176.600 -0.313 0.000 1.037 88 K CA 0.495 56.665 56.287 -0.195 0.000 1.014 88 K CB 1.086 33.471 32.500 -0.192 0.000 0.815 88 K HN -0.387 7.634 8.250 -0.106 0.165 0.507 89 L N -2.587 118.362 121.223 -0.457 0.000 2.569 89 L HA 0.012 3.802 4.340 -0.918 0.000 0.247 89 L C -0.690 175.643 176.870 -0.895 0.000 1.135 89 L CA -0.351 53.903 54.840 -0.977 0.000 0.812 89 L CB 0.423 41.529 42.059 -1.587 0.000 1.431 89 L HN -0.989 7.035 8.230 -0.344 0.000 0.499 90 Y N -1.719 117.555 120.300 -1.710 0.000 2.392 90 Y HA 0.089 4.282 4.550 -0.595 0.000 0.323 90 Y C -0.902 174.815 175.900 -0.304 0.000 1.291 90 Y CA -1.404 56.205 58.100 -0.819 0.000 1.345 90 Y CB 0.830 38.971 38.460 -0.533 0.000 1.320 90 Y HN -0.094 6.202 8.280 -3.305 0.000 0.518 91 P HA -0.140 4.222 4.420 -0.098 0.000 0.227 91 P C -0.933 176.414 177.300 0.079 0.000 1.161 91 P CA 1.213 64.164 63.100 -0.248 0.000 0.788 91 P CB 0.412 31.813 31.700 -0.499 0.000 0.822 92 F N -5.631 114.552 119.950 0.389 0.000 2.148 92 F HA 0.033 4.660 4.527 0.168 0.000 0.285 92 F C 1.423 177.364 175.800 0.234 0.000 1.092 92 F CA 1.831 60.000 58.000 0.281 0.000 1.218 92 F CB -0.955 38.196 39.000 0.252 0.000 1.059 92 F HN -0.147 8.023 8.300 -0.216 0.000 0.490 93 T N -1.278 113.509 114.554 0.389 0.000 2.929 93 T HA -0.281 3.971 4.350 -0.162 0.000 0.271 93 T C 1.142 175.559 174.700 -0.472 0.000 1.085 93 T CA 4.637 66.526 62.100 -0.351 0.000 1.125 93 T CB -0.295 67.839 68.868 -1.222 0.000 0.874 93 T HN 0.059 8.711 8.240 0.687 0.000 0.494 94 W N -1.598 119.770 121.300 0.113 0.000 2.812 94 W HA -0.001 4.707 4.660 0.080 0.000 0.263 94 W C 0.542 177.085 176.519 0.040 0.000 1.284 94 W CA 1.243 58.635 57.345 0.078 0.000 1.430 94 W CB 0.012 29.522 29.460 0.083 0.000 1.088 94 W HN -0.560 8.146 8.180 0.952 0.045 0.623 95 D N -0.047 120.512 120.400 0.265 0.000 2.269 95 D HA -0.226 4.484 4.640 0.117 0.000 0.208 95 D C 1.460 177.803 176.300 0.072 0.000 0.963 95 D CA 2.196 56.283 54.000 0.145 0.000 0.864 95 D CB -0.697 40.197 40.800 0.155 0.000 0.936 95 D HN -0.074 8.405 8.370 0.361 0.107 0.505 96 A N -0.020 122.839 122.820 0.066 0.000 1.902 96 A HA -0.169 4.192 4.320 0.069 0.000 0.217 96 A C 0.835 178.442 177.584 0.038 0.000 1.181 96 A CA 2.587 54.655 52.037 0.053 0.000 0.623 96 A CB 0.099 19.120 19.000 0.034 0.000 0.818 96 A HN -0.644 7.527 8.150 0.084 0.029 0.443 97 V N -2.546 117.299 119.914 -0.114 0.000 2.812 97 V HA 0.118 3.771 4.120 -0.778 0.000 0.344 97 V C -1.567 174.336 176.094 -0.319 0.000 1.244 97 V CA -0.477 61.556 62.300 -0.445 0.000 1.447 97 V CB -0.535 30.999 31.823 -0.481 0.000 1.534 97 V HN -0.315 7.828 8.190 -0.077 0.000 0.590 98 R N -0.469 119.889 120.500 -0.237 0.000 2.686 98 R HA 0.228 4.606 4.340 -0.092 -0.094 0.283 98 R C -1.909 174.264 176.300 -0.212 0.000 0.978 98 R CA -1.776 54.243 56.100 -0.134 0.000 0.897 98 R CB 3.555 33.868 30.300 0.021 0.000 1.192 98 R HN -0.863 7.234 8.270 -0.186 0.061 0.457 99 Y N 0.058 120.414 120.300 0.094 0.000 2.631 99 Y HA 0.149 4.778 4.550 0.133 0.000 0.328 99 Y C 0.514 176.459 175.900 0.075 0.000 1.118 99 Y CA -2.021 56.138 58.100 0.098 0.000 1.206 99 Y CB 2.382 40.887 38.460 0.074 0.000 1.337 99 Y HN 0.169 8.395 8.280 0.139 0.138 0.515 100 N N 2.443 121.302 118.700 0.265 0.000 2.328 100 N HA -0.275 4.543 4.740 0.131 0.000 0.290 100 N C 0.451 176.029 175.510 0.114 0.000 1.355 100 N CA 1.999 55.138 53.050 0.148 0.000 1.009 100 N CB -1.265 37.286 38.487 0.107 0.000 1.426 100 N HN 0.468 9.042 8.380 0.324 0.000 0.488 101 G N 2.857 111.715 108.800 0.097 0.000 2.305 101 G HA2 -0.413 3.587 3.960 0.066 0.000 0.287 101 G HA3 -0.413 3.581 3.960 0.057 0.000 0.287 101 G C -1.464 173.488 174.900 0.086 0.000 1.036 101 G CA 0.948 46.093 45.100 0.074 0.000 0.887 101 G HN 0.089 8.436 8.290 0.095 0.000 0.505 102 K N -2.271 118.207 120.400 0.131 0.000 2.367 102 K HA 0.352 4.729 4.320 0.095 0.000 0.272 102 K C -2.119 174.588 176.600 0.179 0.000 1.046 102 K CA -1.406 54.971 56.287 0.150 0.000 0.895 102 K CB 4.048 36.655 32.500 0.180 0.000 1.512 102 K HN -0.238 7.992 8.250 0.151 0.111 0.433 103 L N -2.986 118.353 121.223 0.193 0.000 3.976 103 L HA 0.118 4.552 4.340 0.158 0.000 0.253 103 L C -2.620 174.318 176.870 0.113 0.000 1.011 103 L CA 0.814 55.742 54.840 0.146 0.000 1.069 103 L CB 2.476 44.593 42.059 0.098 0.000 1.791 103 L HN 0.536 8.870 8.230 0.174 0.000 0.481 104 I N 4.383 125.018 120.570 0.108 0.000 3.531 104 I HA 0.241 4.437 4.170 0.043 0.000 0.341 104 I C -2.169 173.966 176.117 0.031 0.000 1.550 104 I CA -1.754 59.581 61.300 0.058 0.000 1.087 104 I CB -1.302 36.729 38.000 0.051 0.000 1.408 104 I HN 0.541 8.813 8.210 0.103 0.000 0.484 105 A N -2.017 120.819 122.820 0.027 0.000 2.395 105 A HA -0.028 4.242 4.320 -0.084 0.000 0.296 105 A C -2.979 174.626 177.584 0.036 0.000 0.983 105 A CA -0.214 51.791 52.037 -0.054 0.000 0.581 105 A CB 1.360 20.308 19.000 -0.088 0.000 1.426 105 A HN -0.295 7.830 8.150 0.053 0.057 0.503 106 Y N -3.626 116.753 120.300 0.131 0.000 2.364 106 Y HA 0.514 5.161 4.550 0.160 0.000 0.340 106 Y C -2.921 173.013 175.900 0.057 0.000 0.975 106 Y CA -3.833 54.351 58.100 0.140 0.000 1.089 106 Y CB 1.040 39.622 38.460 0.203 0.000 1.192 106 Y HN -0.360 7.376 8.280 -0.907 0.000 0.454 107 P HA 0.135 4.650 4.420 -0.016 -0.104 0.278 107 P C -1.536 175.839 177.300 0.124 0.000 1.238 107 P CA -0.288 62.806 63.100 -0.009 0.000 0.794 107 P CB 1.713 33.271 31.700 -0.236 0.000 0.955 108 I N -1.951 118.756 120.570 0.228 0.000 3.064 108 I HA 0.273 4.636 4.170 0.186 -0.081 0.323 108 I C -1.450 174.833 176.117 0.277 0.000 1.501 108 I CA -0.845 60.620 61.300 0.276 0.000 0.890 108 I CB -0.101 38.076 38.000 0.295 0.000 1.602 108 I HN 0.966 9.181 8.210 0.200 0.115 0.586 109 A N 0.308 123.225 122.820 0.162 0.000 2.540 109 A HA 0.062 4.431 4.320 0.140 0.035 0.315 109 A C -2.384 175.249 177.584 0.081 0.000 1.037 109 A CA 0.244 52.366 52.037 0.142 0.000 0.940 109 A CB 2.976 22.090 19.000 0.191 0.000 1.262 109 A HN -0.470 7.732 8.150 0.086 0.000 0.377 110 V N 5.281 125.240 119.914 0.075 0.000 2.328 110 V HA 0.672 5.004 4.120 0.050 -0.181 0.278 110 V C -1.495 174.664 176.094 0.109 0.000 1.021 110 V CA -1.793 60.545 62.300 0.064 0.000 0.838 110 V CB 1.776 33.619 31.823 0.034 0.000 0.999 110 V HN 0.216 8.456 8.190 0.082 0.000 0.447 111 E N 8.447 128.729 120.200 0.137 0.000 2.197 111 E HA 0.478 5.271 4.350 0.257 -0.288 0.281 111 E C -1.164 175.504 176.600 0.114 0.000 0.995 111 E CA -1.429 55.105 56.400 0.222 0.000 0.808 111 E CB 1.721 31.641 29.700 0.367 0.000 1.093 111 E HN -0.481 7.951 8.360 0.119 0.000 0.394 112 A N 3.334 126.227 122.820 0.122 0.000 2.483 112 A HA 0.331 4.601 4.320 -0.085 0.000 0.306 112 A C -2.813 174.806 177.584 0.058 0.000 1.137 112 A CA -0.527 51.518 52.037 0.014 0.000 0.626 112 A CB 2.650 21.664 19.000 0.023 0.000 1.352 112 A HN -0.418 7.887 8.150 0.258 0.000 0.508 113 L N -2.244 118.982 121.223 0.005 0.000 2.482 113 L HA 0.353 4.831 4.340 0.093 -0.083 0.263 113 L C -2.188 174.679 176.870 -0.006 0.000 0.957 113 L CA -0.044 54.808 54.840 0.020 0.000 0.836 113 L CB 4.167 46.201 42.059 -0.041 0.000 1.324 113 L HN 0.294 8.512 8.230 -0.019 0.000 0.406 114 S N 0.869 116.562 115.700 -0.013 0.000 2.632 114 S HA 0.307 4.753 4.470 -0.039 0.000 0.289 114 S C -2.363 172.184 174.600 -0.088 0.000 1.115 114 S CA -1.528 56.647 58.200 -0.042 0.000 0.889 114 S CB 2.640 65.823 63.200 -0.029 0.000 1.116 114 S HN 0.371 8.609 8.310 0.005 0.075 0.486 115 L N 1.878 123.023 121.223 -0.129 0.000 2.292 115 L HA 0.275 4.531 4.340 -0.140 0.000 0.284 115 L C -2.053 174.606 176.870 -0.352 0.000 1.065 115 L CA -0.655 54.058 54.840 -0.212 0.000 0.806 115 L CB 2.305 44.227 42.059 -0.228 0.000 1.175 115 L HN 0.846 8.898 8.230 -0.118 0.107 0.431 116 I N 5.211 125.602 120.570 -0.298 0.000 2.404 116 I HA 0.522 4.758 4.170 -0.201 -0.187 0.293 116 I C -2.239 173.782 176.117 -0.160 0.000 0.992 116 I CA -2.409 58.760 61.300 -0.218 0.000 1.149 116 I CB 3.342 41.254 38.000 -0.146 0.000 1.315 116 I HN 0.075 8.153 8.210 -0.220 0.000 0.446 117 Y N 6.760 127.107 120.300 0.078 0.000 2.330 117 Y HA 0.206 4.776 4.550 0.033 0.000 0.336 117 Y C -0.992 174.952 175.900 0.073 0.000 1.036 117 Y CA -2.328 55.806 58.100 0.056 0.000 1.125 117 Y CB 1.491 39.978 38.460 0.044 0.000 1.194 117 Y HN 0.043 8.208 8.280 0.018 0.126 0.469 118 N N 4.347 123.178 118.700 0.219 0.000 2.422 118 N HA 0.086 4.920 4.740 0.156 0.000 0.264 118 N C -1.174 174.397 175.510 0.102 0.000 1.063 118 N CA 1.019 54.150 53.050 0.134 0.000 0.959 118 N CB 1.074 39.605 38.487 0.073 0.000 1.087 118 N HN 0.547 9.063 8.380 0.227 0.000 0.483 119 K N 3.463 123.921 120.400 0.097 0.000 2.312 119 K HA 0.081 4.425 4.320 0.040 0.000 0.223 119 K C 1.554 178.176 176.600 0.036 0.000 1.043 119 K CA 1.852 58.173 56.287 0.056 0.000 0.981 119 K CB 0.927 33.458 32.500 0.050 0.000 1.142 119 K HN -0.518 7.805 8.250 0.123 0.000 0.463 120 D N -0.010 120.412 120.400 0.038 0.000 2.973 120 D HA -0.341 4.311 4.640 0.020 0.000 0.203 120 D C 0.564 176.875 176.300 0.019 0.000 1.096 120 D CA 2.846 56.862 54.000 0.027 0.000 0.876 120 D CB -0.019 40.801 40.800 0.033 0.000 0.979 120 D HN 0.390 8.788 8.370 0.046 0.000 0.495 121 L N -7.406 113.830 121.223 0.023 0.000 3.255 121 L HA 0.258 4.603 4.340 0.009 0.000 0.293 121 L C -1.780 175.097 176.870 0.012 0.000 1.302 121 L CA -0.596 54.253 54.840 0.014 0.000 0.977 121 L CB 0.061 42.129 42.059 0.014 0.000 1.390 121 L HN -0.301 7.948 8.230 0.032 0.000 0.588 122 L N 0.380 121.611 121.223 0.013 0.000 2.661 122 L HA 0.422 4.762 4.340 0.001 0.000 0.263 122 L C -3.085 173.786 176.870 0.001 0.000 0.956 122 L CA -1.537 53.308 54.840 0.009 0.000 0.918 122 L CB 3.860 45.932 42.059 0.021 0.000 1.280 122 L HN -0.119 8.025 8.230 0.016 0.096 0.416 123 P HA 0.271 4.664 4.420 -0.044 0.000 0.297 123 P C -1.390 175.878 177.300 -0.054 0.000 1.331 123 P CA -1.253 61.824 63.100 -0.038 0.000 0.803 123 P CB 0.199 31.877 31.700 -0.037 0.000 0.929 124 N N 5.162 123.803 118.700 -0.098 0.000 2.482 124 N HA 0.147 4.850 4.740 -0.061 0.000 0.279 124 N C -1.337 174.075 175.510 -0.164 0.000 1.182 124 N CA -1.905 51.067 53.050 -0.129 0.000 0.969 124 N CB -0.655 37.701 38.487 -0.218 0.000 1.201 124 N HN 0.047 8.355 8.380 -0.120 0.000 0.523 125 P HA 0.272 4.645 4.420 -0.077 0.000 0.276 125 P C -1.716 175.514 177.300 -0.117 0.000 1.261 125 P CA -1.378 61.672 63.100 -0.084 0.000 0.800 125 P CB -0.358 31.328 31.700 -0.023 0.000 1.066 126 P HA 0.075 4.434 4.420 -0.102 0.000 0.216 126 P C -0.403 176.892 177.300 -0.007 0.000 1.154 126 P CA 1.417 64.481 63.100 -0.061 0.000 0.857 126 P CB 0.852 32.526 31.700 -0.043 0.000 0.787 127 K N -7.844 112.562 120.400 0.010 0.000 2.570 127 K HA 0.234 4.590 4.320 0.060 0.000 0.201 127 K C -1.342 175.257 176.600 -0.002 0.000 1.730 127 K CA 0.211 56.512 56.287 0.022 0.000 1.034 127 K CB 1.655 34.154 32.500 -0.001 0.000 1.471 127 K HN -0.039 8.211 8.250 -0.001 0.000 0.608 128 T N -2.350 112.205 114.554 0.002 0.000 2.856 128 T HA 0.514 4.782 4.350 -0.137 0.000 0.283 128 T C 0.568 175.316 174.700 0.080 0.000 1.008 128 T CA -2.019 60.060 62.100 -0.036 0.000 0.997 128 T CB 2.911 71.749 68.868 -0.050 0.000 0.992 128 T HN -0.864 7.508 8.240 0.010 -0.127 0.454 129 W N 4.537 125.658 121.300 -0.298 0.000 2.467 129 W HA -0.175 4.466 4.660 -0.032 0.000 0.275 129 W C 1.320 177.812 176.519 -0.046 0.000 1.239 129 W CA 2.746 60.009 57.345 -0.137 0.000 1.266 129 W CB -0.270 29.102 29.460 -0.147 0.000 1.112 129 W HN 0.919 8.988 8.180 -0.184 0.000 0.576 130 E N -0.703 119.566 120.200 0.115 0.000 2.301 130 E HA -0.512 3.929 4.350 0.151 0.000 0.202 130 E C 1.894 178.537 176.600 0.071 0.000 1.017 130 E CA 3.319 59.777 56.400 0.097 0.000 0.831 130 E CB -0.690 29.035 29.700 0.043 0.000 0.742 130 E HN 0.296 8.641 8.360 0.012 0.023 0.491 131 E N -0.904 119.323 120.200 0.044 0.000 2.265 131 E HA -0.262 4.097 4.350 0.016 0.000 0.196 131 E C 2.062 178.667 176.600 0.009 0.000 0.996 131 E CA 2.487 58.896 56.400 0.016 0.000 0.832 131 E CB -0.349 29.350 29.700 -0.003 0.000 0.756 131 E HN -0.827 7.512 8.360 0.047 0.050 0.491 132 I N 0.342 120.920 120.570 0.012 0.000 2.091 132 I HA -0.463 3.679 4.170 -0.047 0.000 0.240 132 I C -0.884 175.240 176.117 0.011 0.000 1.046 132 I CA 6.397 67.693 61.300 -0.007 0.000 1.306 132 I CB -2.713 35.297 38.000 0.018 0.000 1.018 132 I HN 0.610 8.690 8.210 0.032 0.150 0.404 133 P HA -0.272 4.168 4.420 0.033 0.000 0.216 133 P C 0.984 178.293 177.300 0.016 0.000 1.157 133 P CA 3.205 66.326 63.100 0.035 0.000 0.880 133 P CB -1.093 30.637 31.700 0.051 0.000 0.791 134 A N -2.122 120.705 122.820 0.012 0.000 1.843 134 A HA -0.132 4.190 4.320 0.004 0.000 0.213 134 A C 2.408 179.987 177.584 -0.008 0.000 1.202 134 A CA 2.738 54.777 52.037 0.003 0.000 0.607 134 A CB -0.518 18.484 19.000 0.003 0.000 0.847 134 A HN -0.417 7.661 8.150 0.019 0.083 0.445 135 L N -2.741 118.473 121.223 -0.014 0.000 2.093 135 L HA -0.395 3.931 4.340 -0.023 0.000 0.208 135 L C 2.280 179.132 176.870 -0.030 0.000 1.085 135 L CA 2.945 57.770 54.840 -0.025 0.000 0.755 135 L CB -0.340 41.699 42.059 -0.034 0.000 0.904 135 L HN 0.671 8.779 8.230 -0.011 0.114 0.435 136 D N -1.555 118.826 120.400 -0.031 0.000 2.123 136 D HA -0.276 4.336 4.640 -0.047 0.000 0.200 136 D C 1.586 177.869 176.300 -0.028 0.000 0.976 136 D CA 3.210 57.187 54.000 -0.038 0.000 0.831 136 D CB 0.136 40.910 40.800 -0.043 0.000 0.974 136 D HN 0.580 8.809 8.370 -0.026 0.125 0.469 137 K N -0.087 120.303 120.400 -0.017 0.000 2.089 137 K HA -0.379 3.934 4.320 -0.013 0.000 0.210 137 K C 2.238 178.829 176.600 -0.016 0.000 1.048 137 K CA 3.379 59.658 56.287 -0.012 0.000 0.926 137 K CB -0.189 32.308 32.500 -0.004 0.000 0.714 137 K HN -0.540 7.528 8.250 -0.012 0.175 0.448 138 E N -1.469 118.721 120.200 -0.017 0.000 2.106 138 E HA -0.243 4.099 4.350 -0.015 0.000 0.192 138 E C 2.309 178.896 176.600 -0.021 0.000 0.984 138 E CA 2.480 58.869 56.400 -0.017 0.000 0.806 138 E CB -0.131 29.558 29.700 -0.018 0.000 0.750 138 E HN -0.675 7.580 8.360 -0.017 0.094 0.458 139 L N -1.217 119.990 121.223 -0.027 0.000 2.017 139 L HA -0.363 3.961 4.340 -0.027 0.000 0.208 139 L C 2.342 179.193 176.870 -0.031 0.000 1.073 139 L CA 3.175 57.997 54.840 -0.031 0.000 0.745 139 L CB -0.051 41.984 42.059 -0.040 0.000 0.894 139 L HN -0.495 7.614 8.230 -0.028 0.103 0.432 140 K N 0.247 120.628 120.400 -0.032 0.000 2.089 140 K HA -0.396 3.902 4.320 -0.037 0.000 0.210 140 K C 2.062 178.647 176.600 -0.024 0.000 1.048 140 K CA 2.555 58.824 56.287 -0.031 0.000 0.926 140 K CB -0.474 32.010 32.500 -0.027 0.000 0.714 140 K HN 0.497 8.615 8.250 -0.032 0.114 0.448 141 A N -3.021 119.787 122.820 -0.019 0.000 2.093 141 A HA -0.207 4.105 4.320 -0.014 0.000 0.222 141 A C 1.488 179.062 177.584 -0.016 0.000 1.162 141 A CA 2.469 54.497 52.037 -0.016 0.000 0.655 141 A CB -0.410 18.582 19.000 -0.014 0.000 0.805 141 A HN -0.503 7.556 8.150 -0.019 0.080 0.461 142 K N -3.612 116.776 120.400 -0.019 0.000 2.313 142 K HA 0.131 4.441 4.320 -0.015 0.000 0.215 142 K C 0.285 176.872 176.600 -0.021 0.000 1.109 142 K CA 0.273 56.550 56.287 -0.018 0.000 0.895 142 K CB 2.514 35.004 32.500 -0.017 0.000 1.234 142 K HN 0.097 8.159 8.250 -0.021 0.176 0.463 143 G N -1.782 107.003 108.800 -0.025 0.000 3.669 143 G HA2 -0.047 3.894 3.960 -0.032 0.000 0.230 143 G HA3 -0.047 3.897 3.960 -0.027 0.000 0.230 143 G C -1.945 172.933 174.900 -0.036 0.000 2.671 143 G CA 0.102 45.184 45.100 -0.030 0.000 0.975 143 G HN -0.289 7.985 8.290 -0.026 0.000 0.448 144 K N -3.199 117.177 120.400 -0.041 0.000 2.454 144 K HA 0.246 4.535 4.320 -0.051 0.000 0.279 144 K C -2.543 174.021 176.600 -0.059 0.000 1.020 144 K CA -1.484 54.776 56.287 -0.046 0.000 0.850 144 K CB 1.751 34.232 32.500 -0.033 0.000 1.529 144 K HN -0.569 7.538 8.250 -0.039 0.119 0.390 145 S N -2.923 112.738 115.700 -0.064 0.000 2.661 145 S HA 0.448 5.093 4.470 -0.075 -0.220 0.285 145 S C -0.493 174.065 174.600 -0.070 0.000 1.138 145 S CA -1.167 56.985 58.200 -0.080 0.000 0.855 145 S CB 3.918 67.045 63.200 -0.122 0.000 1.136 145 S HN -0.160 8.118 8.310 -0.053 0.000 0.484 146 A N 1.581 124.351 122.820 -0.084 0.000 1.975 146 A HA 0.043 4.328 4.320 -0.057 0.000 0.215 146 A C -1.204 176.323 177.584 -0.096 0.000 1.170 146 A CA 1.584 53.572 52.037 -0.081 0.000 0.656 146 A CB 0.412 19.358 19.000 -0.090 0.000 0.821 146 A HN 0.352 8.622 8.150 -0.093 -0.175 0.449 147 L N -6.833 114.307 121.223 -0.138 0.000 2.438 147 L HA 0.740 5.257 4.340 -0.077 -0.223 0.270 147 L C -1.525 175.241 176.870 -0.173 0.000 0.972 147 L CA -0.671 54.083 54.840 -0.143 0.000 0.831 147 L CB 2.666 44.568 42.059 -0.262 0.000 1.273 147 L HN -0.806 7.334 8.230 -0.151 0.000 0.405 148 M N 3.115 122.675 119.600 -0.067 0.000 2.393 148 M HA 0.319 4.663 4.480 -0.227 0.000 0.299 148 M C -1.778 174.587 176.300 0.108 0.000 1.103 148 M CA -0.861 54.438 55.300 -0.002 0.000 0.910 148 M CB 3.735 36.505 32.600 0.284 0.000 1.659 148 M HN -0.214 8.071 8.290 -0.009 0.000 0.445 149 F N -0.254 120.001 119.950 0.508 0.000 2.900 149 F HA 0.169 4.707 4.527 0.018 0.000 0.321 149 F C -2.476 173.757 175.800 0.722 0.000 1.160 149 F CA -2.193 56.081 58.000 0.455 0.000 0.890 149 F CB 0.523 39.738 39.000 0.358 0.000 1.334 149 F HN -0.351 7.905 8.300 -0.074 0.000 0.459 150 N N -0.919 118.467 118.700 1.143 0.000 2.048 150 N HA -0.314 4.836 4.740 0.682 0.000 0.204 150 N C -0.853 175.009 175.510 0.585 0.000 1.407 150 N CA 2.076 55.601 53.050 0.792 0.000 0.826 150 N CB 0.788 39.695 38.487 0.701 0.000 0.913 150 N HN 0.421 9.515 8.380 1.190 0.000 0.422 151 L N -1.970 119.472 121.223 0.365 0.000 3.441 151 L HA 0.038 4.483 4.340 0.176 0.000 0.363 151 L C -1.996 174.923 176.870 0.082 0.000 1.333 151 L CA 0.485 55.432 54.840 0.179 0.000 0.926 151 L CB 0.632 42.756 42.059 0.108 0.000 1.304 151 L HN 0.237 8.672 8.230 0.342 0.000 0.596 152 Q N -2.158 117.695 119.800 0.089 0.000 1.911 152 Q HA 0.129 4.415 4.340 -0.091 0.000 0.166 152 Q C -1.794 174.170 176.000 -0.060 0.000 0.648 152 Q CA 0.111 55.901 55.803 -0.023 0.000 0.918 152 Q CB 0.806 29.536 28.738 -0.012 0.000 1.327 152 Q HN -0.218 8.151 8.270 0.164 0.000 0.336 153 E N -1.275 118.919 120.200 -0.008 0.000 2.244 153 E HA 0.553 4.841 4.350 -0.103 0.000 0.266 153 E C -2.767 173.768 176.600 -0.108 0.000 0.914 153 E CA -2.787 53.614 56.400 0.000 0.000 0.794 153 E CB 0.935 30.782 29.700 0.245 0.000 1.210 153 E HN -0.398 7.998 8.360 0.060 0.000 0.414 154 P HA 0.045 4.260 4.420 -0.426 -0.051 0.338 154 P C -0.030 177.293 177.300 0.038 0.000 1.417 154 P CA -0.621 62.294 63.100 -0.308 0.000 0.868 154 P CB 0.554 31.877 31.700 -0.629 0.000 2.131 155 Y N -7.255 112.988 120.300 -0.095 0.000 2.656 155 Y HA -0.495 3.959 4.550 -0.160 0.000 0.492 155 Y C 1.312 177.260 175.900 0.081 0.000 0.924 155 Y CA 3.037 61.063 58.100 -0.123 0.000 3.303 155 Y CB -2.269 36.159 38.460 -0.053 0.000 0.858 155 Y HN -0.048 7.616 8.280 -1.026 0.000 0.569 156 F N -1.263 118.788 119.950 0.168 0.000 2.164 156 F HA 0.060 4.579 4.527 -0.013 0.000 0.287 156 F C 1.197 177.048 175.800 0.084 0.000 1.086 156 F CA 0.979 59.035 58.000 0.093 0.000 1.249 156 F CB 1.011 40.154 39.000 0.238 0.000 1.059 156 F HN 0.236 8.876 8.300 0.612 0.027 0.490 157 T N -0.696 113.640 114.554 -0.363 0.000 2.746 157 T HA -0.461 3.379 4.350 -0.850 0.000 0.267 157 T C 1.943 176.517 174.700 -0.210 0.000 1.039 157 T CA 4.054 65.847 62.100 -0.513 0.000 1.142 157 T CB -0.439 68.192 68.868 -0.395 0.000 0.866 157 T HN -0.396 7.801 8.240 -0.072 0.000 0.444 158 W N 1.612 122.780 121.300 -0.219 0.000 2.301 158 W HA -0.283 4.243 4.660 -0.223 0.000 0.325 158 W C -1.267 175.175 176.519 -0.129 0.000 1.250 158 W CA 3.417 60.657 57.345 -0.175 0.000 1.261 158 W CB -1.539 27.853 29.460 -0.112 0.000 1.157 158 W HN -0.820 7.252 8.180 0.031 0.126 0.473 159 P HA -0.352 4.218 4.420 0.074 -0.107 0.217 159 P C 1.891 179.216 177.300 0.042 0.000 1.158 159 P CA 2.800 65.970 63.100 0.118 0.000 0.887 159 P CB -0.412 31.376 31.700 0.147 0.000 0.792 160 L N -2.450 118.758 121.223 -0.026 0.000 1.976 160 L HA -0.251 4.042 4.340 -0.079 0.000 0.209 160 L C 2.812 179.647 176.870 -0.058 0.000 1.071 160 L CA 3.428 58.215 54.840 -0.088 0.000 0.746 160 L CB -0.118 41.833 42.059 -0.180 0.000 0.890 160 L HN -0.672 7.520 8.230 -0.064 0.000 0.432 161 I N -1.950 118.564 120.570 -0.092 0.000 2.502 161 I HA -0.523 3.532 4.170 -0.192 0.000 0.258 161 I C 1.591 177.719 176.117 0.018 0.000 1.172 161 I CA 4.130 65.391 61.300 -0.065 0.000 1.430 161 I CB -0.737 37.255 38.000 -0.012 0.000 1.086 161 I HN -0.383 7.757 8.210 -0.116 0.000 0.440 162 A N -1.443 121.386 122.820 0.015 0.000 2.067 162 A HA -0.054 4.156 4.320 -0.182 0.000 0.217 162 A C 0.974 178.478 177.584 -0.133 0.000 1.156 162 A CA 1.389 53.355 52.037 -0.118 0.000 0.683 162 A CB -0.725 18.184 19.000 -0.152 0.000 0.808 162 A HN -0.199 7.875 8.150 0.054 0.109 0.455 163 A N -1.042 121.744 122.820 -0.058 0.000 1.881 163 A HA -0.296 4.161 4.320 -0.026 -0.152 0.219 163 A C 1.135 178.689 177.584 -0.051 0.000 1.215 163 A CA 2.630 54.648 52.037 -0.032 0.000 0.648 163 A CB -0.410 18.591 19.000 0.002 0.000 0.832 163 A HN 0.054 8.008 8.150 -0.033 0.176 0.455 164 D N -2.472 117.902 120.400 -0.044 0.000 2.084 164 D HA -0.211 4.418 4.640 -0.018 0.000 0.194 164 D C 1.051 177.276 176.300 -0.126 0.000 0.990 164 D CA 2.962 56.932 54.000 -0.049 0.000 0.826 164 D CB 0.565 41.354 40.800 -0.019 0.000 0.971 164 D HN 0.093 8.453 8.370 -0.018 0.000 0.453 165 G N -4.807 103.851 108.800 -0.238 0.000 4.706 165 G HA2 -0.006 3.591 3.960 -0.605 0.000 0.223 165 G HA3 -0.006 3.796 3.960 -0.264 0.000 0.223 165 G C -1.179 173.366 174.900 -0.591 0.000 0.812 165 G CA -0.066 44.776 45.100 -0.429 0.000 1.222 165 G HN -0.037 8.124 8.290 -0.215 0.000 0.732 166 G N 0.766 109.270 108.800 -0.493 0.000 2.922 166 G HA2 0.304 4.219 3.960 -0.314 0.000 0.335 166 G HA3 0.304 4.269 3.960 -0.244 -0.152 0.335 166 G C -0.923 173.680 174.900 -0.495 0.000 1.016 166 G CA -0.907 43.958 45.100 -0.393 0.000 1.306 166 G HN -0.748 7.306 8.290 -0.393 0.000 0.465 167 Y N 3.487 123.667 120.300 -0.200 0.000 2.314 167 Y HA 0.137 4.713 4.550 -0.303 -0.207 0.334 167 Y C 0.429 176.098 175.900 -0.385 0.000 1.266 167 Y CA -0.560 57.385 58.100 -0.258 0.000 1.391 167 Y CB 0.280 38.659 38.460 -0.135 0.000 1.306 167 Y HN -0.641 7.366 8.280 -0.455 0.000 0.558 168 A N 1.697 124.339 122.820 -0.297 0.000 1.823 168 A HA -0.266 3.521 4.320 -0.888 0.000 0.214 168 A C -0.431 176.828 177.584 -0.543 0.000 1.227 168 A CA 2.570 54.271 52.037 -0.560 0.000 0.616 168 A CB 0.064 18.864 19.000 -0.334 0.000 0.874 168 A HN 0.182 8.449 8.150 -0.203 -0.238 0.455 169 F N -5.248 114.636 119.950 -0.110 0.000 2.572 169 F HA 0.181 4.740 4.527 0.053 0.000 0.342 169 F C -0.186 175.662 175.800 0.079 0.000 1.064 169 F CA -1.545 56.455 58.000 -0.000 0.000 1.008 169 F CB 2.542 41.462 39.000 -0.133 0.000 1.303 169 F HN -0.560 7.923 8.300 0.306 0.000 0.492 170 K N 0.312 120.900 120.400 0.313 0.000 2.292 170 K HA 0.237 4.643 4.320 0.144 0.000 0.270 170 K C -1.267 175.461 176.600 0.214 0.000 1.062 170 K CA -1.315 55.090 56.287 0.198 0.000 0.916 170 K CB 1.343 33.926 32.500 0.140 0.000 1.166 170 K HN 0.173 8.651 8.250 0.381 0.000 0.458 171 Y N 7.247 127.606 120.300 0.098 0.000 2.404 171 Y HA 0.034 4.728 4.550 0.100 -0.084 0.344 171 Y C -0.962 174.944 175.900 0.010 0.000 0.995 171 Y CA 0.142 58.282 58.100 0.067 0.000 1.201 171 Y CB 0.727 39.211 38.460 0.040 0.000 1.151 171 Y HN 0.479 8.907 8.280 0.247 0.000 0.517 172 E N 7.863 128.218 120.200 0.259 0.000 2.373 172 E HA 0.141 4.578 4.350 0.146 0.000 0.251 172 E C -0.695 175.995 176.600 0.149 0.000 0.923 172 E CA -1.044 55.450 56.400 0.158 0.000 0.798 172 E CB 1.441 31.186 29.700 0.075 0.000 1.303 172 E HN 0.361 8.797 8.360 0.125 0.000 0.412 173 N N 4.624 123.421 118.700 0.162 0.000 3.201 173 N HA -0.434 4.370 4.740 0.107 0.000 0.198 173 N C 0.227 175.825 175.510 0.148 0.000 0.165 173 N CA 2.656 55.779 53.050 0.122 0.000 3.047 173 N CB -0.922 37.602 38.487 0.061 0.000 1.089 173 N HN 0.619 9.087 8.380 0.147 0.000 0.362 174 G N 0.565 109.409 108.800 0.074 0.000 2.547 174 G HA2 -0.106 3.871 3.960 0.029 0.000 0.214 174 G HA3 -0.106 3.836 3.960 -0.030 0.000 0.214 174 G C -1.150 173.703 174.900 -0.079 0.000 1.254 174 G CA 0.586 45.691 45.100 0.009 0.000 0.817 174 G HN 0.521 8.798 8.290 0.054 0.046 0.551 175 K N -2.851 117.401 120.400 -0.247 0.000 2.703 175 K HA 0.135 3.835 4.320 -1.033 0.000 0.285 175 K C -0.856 175.386 176.600 -0.596 0.000 1.014 175 K CA -0.597 55.286 56.287 -0.673 0.000 0.858 175 K CB 2.352 34.403 32.500 -0.748 0.000 1.467 175 K HN -0.837 7.314 8.250 -0.165 0.000 0.383 176 Y N -2.978 117.070 120.300 -0.420 0.000 2.173 176 Y HA -0.249 4.852 4.550 -0.042 -0.576 0.282 176 Y C 1.049 176.935 175.900 -0.024 0.000 1.192 176 Y CA 1.289 59.321 58.100 -0.114 0.000 1.176 176 Y CB -0.368 38.089 38.460 -0.004 0.000 0.969 176 Y HN 0.411 8.066 8.280 -1.042 0.000 0.519 177 D N -1.742 118.403 120.400 -0.426 0.000 4.365 177 D HA -0.392 4.037 4.640 -0.351 0.000 0.198 177 D C 0.361 176.783 176.300 0.203 0.000 0.997 177 D CA 2.369 56.270 54.000 -0.166 0.000 2.182 177 D CB -0.721 40.037 40.800 -0.069 0.000 1.147 177 D HN 0.032 7.510 8.370 -1.438 0.029 0.409 178 I N -4.185 116.547 120.570 0.270 0.000 5.446 178 I HA -0.022 4.399 4.170 0.419 0.000 0.316 178 I C -1.599 174.627 176.117 0.181 0.000 0.798 178 I CA 1.363 62.831 61.300 0.280 0.000 1.723 178 I CB 0.857 38.967 38.000 0.184 0.000 2.748 178 I HN -0.186 8.123 8.210 0.208 0.026 0.908 179 K N 0.076 120.548 120.400 0.119 0.000 2.504 179 K HA -0.085 4.276 4.320 0.069 0.000 0.195 179 K C -0.383 176.269 176.600 0.087 0.000 1.036 179 K CA 1.065 57.401 56.287 0.081 0.000 0.984 179 K CB 0.057 32.589 32.500 0.053 0.000 0.788 179 K HN 0.026 8.338 8.250 0.104 0.000 0.488 180 D N 0.368 120.840 120.400 0.121 0.000 2.462 180 D HA 0.201 4.891 4.640 0.085 0.000 0.249 180 D C -2.313 174.068 176.300 0.134 0.000 1.117 180 D CA -0.252 53.815 54.000 0.112 0.000 0.900 180 D CB 0.793 41.657 40.800 0.107 0.000 1.039 180 D HN -0.431 7.976 8.370 0.160 0.059 0.516 181 V N 1.299 121.268 119.914 0.091 0.000 2.350 181 V HA 0.224 4.354 4.120 0.016 0.000 0.285 181 V C -0.338 175.781 176.094 0.042 0.000 1.014 181 V CA -1.604 60.727 62.300 0.052 0.000 0.831 181 V CB 0.843 32.709 31.823 0.071 0.000 1.000 181 V HN -0.176 8.060 8.190 0.077 0.000 0.433 182 G N 5.755 114.565 108.800 0.017 0.000 4.433 182 G HA2 0.486 4.465 3.960 0.031 0.000 0.304 182 G HA3 0.486 4.492 3.960 0.077 0.000 0.304 182 G C -0.768 174.099 174.900 -0.054 0.000 1.254 182 G CA -0.487 44.628 45.100 0.025 0.000 0.999 182 G HN 0.317 8.606 8.290 -0.001 0.000 0.576 183 V N -2.013 117.828 119.914 -0.122 0.000 2.346 183 V HA -0.187 3.808 4.120 -0.330 -0.073 0.244 183 V C 0.004 176.060 176.094 -0.064 0.000 1.037 183 V CA 1.648 63.804 62.300 -0.239 0.000 1.029 183 V CB 0.452 31.981 31.823 -0.490 0.000 0.663 183 V HN -0.579 7.506 8.190 -0.071 0.063 0.454 184 D N -2.258 118.159 120.400 0.029 0.000 2.934 184 D HA -0.147 4.530 4.640 0.063 0.000 0.237 184 D C -1.428 174.879 176.300 0.012 0.000 1.158 184 D CA -1.093 52.937 54.000 0.051 0.000 0.971 184 D CB -2.546 38.303 40.800 0.082 0.000 1.123 184 D HN 0.230 8.635 8.370 0.059 0.000 0.467 185 N N 0.390 119.078 118.700 -0.020 0.000 2.530 185 N HA 0.157 4.891 4.740 -0.010 0.000 0.283 185 N C 1.109 176.600 175.510 -0.031 0.000 1.238 185 N CA -0.566 52.468 53.050 -0.027 0.000 0.971 185 N CB 2.574 41.032 38.487 -0.048 0.000 1.195 185 N HN -0.400 7.875 8.380 -0.039 0.082 0.583 186 A N 0.722 123.526 122.820 -0.026 0.000 1.986 186 A HA -0.338 3.971 4.320 -0.018 0.000 0.220 186 A C 1.378 178.943 177.584 -0.032 0.000 1.171 186 A CA 3.260 55.283 52.037 -0.022 0.000 0.640 186 A CB -0.121 18.871 19.000 -0.012 0.000 0.811 186 A HN 0.607 8.745 8.150 -0.021 0.000 0.451 187 G N -2.674 106.092 108.800 -0.056 0.000 2.394 187 G HA2 -0.300 3.637 3.960 -0.039 0.000 0.215 187 G HA3 -0.300 3.709 3.960 -0.110 -0.114 0.215 187 G C 0.704 175.566 174.900 -0.064 0.000 1.165 187 G CA 1.108 46.167 45.100 -0.068 0.000 0.784 187 G HN 0.237 8.459 8.290 -0.067 0.028 0.535 188 A N 3.672 126.456 122.820 -0.061 0.000 1.883 188 A HA -0.116 4.466 4.320 0.012 -0.255 0.217 188 A C 1.986 179.537 177.584 -0.055 0.000 1.186 188 A CA 2.701 54.731 52.037 -0.012 0.000 0.624 188 A CB -0.692 18.342 19.000 0.056 0.000 0.822 188 A HN -0.646 7.372 8.150 -0.073 0.088 0.444 189 K N -1.154 119.216 120.400 -0.051 0.000 1.978 189 K HA -0.423 3.844 4.320 -0.087 0.000 0.214 189 K C 2.167 178.723 176.600 -0.074 0.000 1.049 189 K CA 3.494 59.741 56.287 -0.066 0.000 0.939 189 K CB 0.014 32.488 32.500 -0.042 0.000 0.721 189 K HN -0.208 8.019 8.250 -0.038 0.000 0.441 190 A N -2.266 120.532 122.820 -0.037 0.000 1.917 190 A HA -0.289 4.037 4.320 0.009 0.000 0.219 190 A C 2.250 179.844 177.584 0.017 0.000 1.182 190 A CA 3.081 55.120 52.037 0.003 0.000 0.633 190 A CB -0.888 18.129 19.000 0.028 0.000 0.819 190 A HN 0.501 8.509 8.150 -0.030 0.123 0.448 191 G N -1.386 107.392 108.800 -0.036 0.000 2.484 191 G HA2 -0.279 3.835 3.960 0.256 0.000 0.215 191 G HA3 -0.279 3.652 3.960 -0.103 -0.033 0.215 191 G C 0.991 175.484 174.900 -0.680 0.000 1.219 191 G CA 1.611 46.639 45.100 -0.118 0.000 0.791 191 G HN 0.353 8.480 8.290 -0.044 0.137 0.550 192 L N 0.774 121.718 121.223 -0.466 0.000 2.187 192 L HA -0.306 3.631 4.340 -0.671 0.000 0.213 192 L C 2.027 178.630 176.870 -0.445 0.000 1.100 192 L CA 2.810 57.344 54.840 -0.511 0.000 0.765 192 L CB -0.083 41.773 42.059 -0.337 0.000 0.904 192 L HN 0.382 8.441 8.230 -0.285 0.000 0.437 193 T N 2.442 116.822 114.554 -0.290 0.000 2.708 193 T HA -0.417 3.855 4.350 -0.131 0.000 0.266 193 T C 1.893 176.534 174.700 -0.099 0.000 1.037 193 T CA 5.022 67.035 62.100 -0.144 0.000 1.146 193 T CB -0.553 68.288 68.868 -0.046 0.000 0.865 193 T HN 0.520 8.389 8.240 -0.243 0.226 0.435 194 F N 1.479 121.404 119.950 -0.041 0.000 2.171 194 F HA -0.074 4.481 4.527 0.046 0.000 0.300 194 F C 1.381 177.196 175.800 0.026 0.000 1.090 194 F CA 1.265 59.270 58.000 0.008 0.000 1.293 194 F CB -1.645 37.358 39.000 0.004 0.000 1.013 194 F HN -0.479 7.773 8.300 -0.081 0.000 0.486 195 L N 0.218 121.001 121.223 -0.733 0.000 2.017 195 L HA -0.323 3.995 4.340 -0.035 0.000 0.208 195 L C 1.792 178.591 176.870 -0.118 0.000 1.073 195 L CA 3.921 58.527 54.840 -0.390 0.000 0.745 195 L CB -0.034 41.653 42.059 -0.619 0.000 0.894 195 L HN -0.504 6.823 8.230 -1.337 0.101 0.432 196 V N -1.062 118.755 119.914 -0.162 0.000 2.469 196 V HA -0.594 3.475 4.120 -0.085 0.000 0.251 196 V C 2.304 178.400 176.094 0.002 0.000 1.064 196 V CA 4.554 66.806 62.300 -0.080 0.000 1.066 196 V CB -1.213 30.556 31.823 -0.091 0.000 0.667 196 V HN 0.449 8.290 8.190 -0.256 0.196 0.461 197 D N 0.178 120.609 120.400 0.052 0.000 2.097 197 D HA -0.281 4.402 4.640 0.072 0.000 0.195 197 D C 2.360 178.736 176.300 0.127 0.000 0.989 197 D CA 3.820 57.881 54.000 0.102 0.000 0.827 197 D CB -0.003 40.891 40.800 0.157 0.000 0.966 197 D HN -0.298 7.961 8.370 0.043 0.137 0.456 198 L N 0.051 121.382 121.223 0.179 0.000 1.989 198 L HA -0.324 4.133 4.340 0.195 0.000 0.211 198 L C 1.706 178.671 176.870 0.158 0.000 1.071 198 L CA 3.330 58.291 54.840 0.202 0.000 0.749 198 L CB 0.188 42.424 42.059 0.295 0.000 0.890 198 L HN -0.517 7.759 8.230 0.206 0.077 0.431 199 I N -2.031 118.609 120.570 0.116 0.000 2.315 199 I HA -0.526 3.757 4.170 0.189 0.000 0.248 199 I C 1.736 177.896 176.117 0.072 0.000 1.117 199 I CA 3.235 64.590 61.300 0.093 0.000 1.404 199 I CB -0.110 37.882 38.000 -0.014 0.000 1.071 199 I HN -0.408 7.856 8.210 0.090 0.000 0.419 200 K N -0.789 119.643 120.400 0.052 0.000 2.103 200 K HA -0.309 4.026 4.320 0.025 0.000 0.207 200 K C 1.696 178.324 176.600 0.047 0.000 1.048 200 K CA 3.074 59.385 56.287 0.039 0.000 0.930 200 K CB -0.206 32.314 32.500 0.034 0.000 0.716 200 K HN 0.384 8.458 8.250 0.051 0.206 0.444 201 N N -4.018 114.719 118.700 0.062 0.000 2.460 201 N HA 0.025 4.789 4.740 0.039 0.000 0.193 201 N C 0.731 176.269 175.510 0.046 0.000 1.080 201 N CA 2.079 55.160 53.050 0.050 0.000 0.869 201 N CB 1.552 40.069 38.487 0.049 0.000 1.201 201 N HN -0.486 7.925 8.380 0.079 0.017 0.457 202 K N -0.291 120.145 120.400 0.061 0.000 2.167 202 K HA 0.070 4.399 4.320 0.015 0.000 0.214 202 K C 1.496 178.119 176.600 0.040 0.000 1.024 202 K CA 0.961 57.268 56.287 0.034 0.000 0.951 202 K CB 0.384 32.897 32.500 0.022 0.000 0.907 202 K HN -0.444 7.855 8.250 0.082 0.000 0.459 203 H N -0.908 118.164 119.070 0.004 0.000 2.394 203 H HA -0.280 4.265 4.556 -0.017 0.000 0.297 203 H C 1.440 176.764 175.328 -0.006 0.000 1.113 203 H CA 2.816 58.860 56.048 -0.006 0.000 1.277 203 H CB 0.646 30.407 29.762 -0.002 0.000 1.370 203 H HN -0.459 7.924 8.280 0.171 0.000 0.506 204 M N -4.804 114.883 119.600 0.145 0.000 7.303 204 M HA -0.556 4.028 4.480 0.058 -0.069 0.147 204 M C -0.067 176.278 176.300 0.074 0.000 0.481 204 M CA 3.520 58.868 55.300 0.081 0.000 1.308 204 M CB -1.393 31.237 32.600 0.051 0.000 0.437 204 M HN -0.012 8.267 8.290 0.138 0.094 0.259 205 N N -0.244 118.515 118.700 0.099 0.000 2.418 205 N HA -0.002 4.755 4.740 0.028 0.000 0.283 205 N C -0.762 174.776 175.510 0.046 0.000 1.267 205 N CA 0.154 53.242 53.050 0.064 0.000 0.975 205 N CB 1.423 39.945 38.487 0.058 0.000 1.167 205 N HN -0.054 8.372 8.380 0.121 0.027 0.581 206 A N -3.459 119.355 122.820 -0.010 0.000 2.816 206 A HA 0.216 4.433 4.320 -0.171 0.000 0.208 206 A C -1.362 176.199 177.584 -0.038 0.000 0.896 206 A CA 0.408 52.391 52.037 -0.089 0.000 1.183 206 A CB 0.451 19.369 19.000 -0.136 0.000 1.249 206 A HN 0.128 8.279 8.150 0.001 0.000 0.484 207 D N -0.886 119.518 120.400 0.006 0.000 2.349 207 D HA 0.014 4.658 4.640 0.005 0.000 0.214 207 D C -0.703 175.612 176.300 0.025 0.000 1.063 207 D CA -0.309 53.699 54.000 0.012 0.000 0.847 207 D CB 0.115 40.921 40.800 0.009 0.000 0.933 207 D HN 0.105 8.491 8.370 0.026 0.000 0.513 208 T N 2.182 116.766 114.554 0.049 0.000 2.792 208 T HA -0.164 4.199 4.350 0.022 0.000 0.286 208 T C -0.743 173.996 174.700 0.064 0.000 0.970 208 T CA 1.686 63.820 62.100 0.057 0.000 1.187 208 T CB 0.368 69.307 68.868 0.119 0.000 0.915 208 T HN -0.548 7.678 8.240 0.063 0.052 0.529 209 D N 5.341 125.751 120.400 0.017 0.000 2.511 209 D HA -0.005 4.698 4.640 0.105 0.000 0.276 209 D C 1.544 177.881 176.300 0.060 0.000 1.220 209 D CA -0.618 53.400 54.000 0.030 0.000 1.077 209 D CB 1.966 42.718 40.800 -0.081 0.000 1.126 209 D HN -0.251 8.103 8.370 -0.027 0.000 0.583 210 Y N -1.436 118.913 120.300 0.083 0.000 2.184 210 Y HA -0.215 4.441 4.550 0.178 0.000 0.290 210 Y C 1.594 177.536 175.900 0.070 0.000 1.129 210 Y CA 2.603 60.760 58.100 0.096 0.000 1.144 210 Y CB -0.188 38.290 38.460 0.029 0.000 0.995 210 Y HN 0.246 8.661 8.280 0.225 0.000 0.513 211 S N 0.344 115.520 115.700 -0.874 0.000 2.406 211 S HA -0.246 4.076 4.470 -0.246 0.000 0.228 211 S C 1.637 176.071 174.600 -0.277 0.000 1.020 211 S CA 2.686 60.562 58.200 -0.540 0.000 0.965 211 S CB -0.824 61.944 63.200 -0.721 0.000 0.798 211 S HN 0.047 7.324 8.310 -1.722 0.000 0.488 212 I N 1.254 121.666 120.570 -0.264 0.000 2.277 212 I HA -0.223 3.841 4.170 -0.176 0.000 0.243 212 I C 0.993 176.980 176.117 -0.216 0.000 1.094 212 I CA 1.817 63.006 61.300 -0.185 0.000 1.393 212 I CB -0.283 37.638 38.000 -0.132 0.000 1.078 212 I HN -0.450 7.474 8.210 -0.322 0.093 0.417 213 A N -1.110 121.611 122.820 -0.166 0.000 1.978 213 A HA -0.409 3.733 4.320 -0.297 0.000 0.220 213 A C 1.560 178.517 177.584 -1.045 0.000 1.170 213 A CA 3.431 55.290 52.037 -0.297 0.000 0.636 213 A CB -1.016 18.097 19.000 0.190 0.000 0.810 213 A HN 0.551 8.515 8.150 -0.078 0.139 0.448 214 E N -1.070 118.868 120.200 -0.436 0.000 2.051 214 E HA -0.358 3.928 4.350 -0.107 0.000 0.192 214 E C 1.977 178.340 176.600 -0.396 0.000 0.991 214 E CA 2.986 59.232 56.400 -0.257 0.000 0.799 214 E CB -0.334 29.441 29.700 0.125 0.000 0.748 214 E HN -0.317 7.750 8.360 -0.153 0.202 0.449 215 A N -1.300 121.343 122.820 -0.295 0.000 1.940 215 A HA -0.283 3.963 4.320 -0.123 0.000 0.219 215 A C 1.887 179.315 177.584 -0.259 0.000 1.176 215 A CA 2.839 54.753 52.037 -0.204 0.000 0.631 215 A CB -1.032 17.878 19.000 -0.150 0.000 0.814 215 A HN -0.500 7.406 8.150 -0.258 0.090 0.446 216 A N -0.766 121.797 122.820 -0.429 0.000 1.851 216 A HA -0.277 3.932 4.320 -0.185 0.000 0.216 216 A C 2.208 179.668 177.584 -0.206 0.000 1.195 216 A CA 2.973 54.815 52.037 -0.325 0.000 0.622 216 A CB -0.568 18.228 19.000 -0.340 0.000 0.831 216 A HN -0.298 7.415 8.150 -0.536 0.115 0.444 217 F N -5.012 114.951 119.950 0.021 0.000 2.269 217 F HA -0.407 4.105 4.527 -0.024 0.000 0.301 217 F C 1.962 177.758 175.800 -0.006 0.000 1.082 217 F CA 1.711 59.707 58.000 -0.007 0.000 1.360 217 F CB -1.522 37.461 39.000 -0.029 0.000 1.041 217 F HN -0.650 6.707 8.300 -1.572 0.000 0.512 218 N N -0.157 118.568 118.700 0.042 0.000 2.061 218 N HA -0.376 4.409 4.740 0.075 0.000 0.193 218 N C 1.679 177.201 175.510 0.021 0.000 1.030 218 N CA 2.932 56.003 53.050 0.035 0.000 0.856 218 N CB 0.117 38.598 38.487 -0.010 0.000 1.023 218 N HN -0.232 7.957 8.380 -0.108 0.127 0.424 219 K N -1.784 118.614 120.400 -0.004 0.000 2.288 219 K HA -0.142 4.178 4.320 -0.001 0.000 0.201 219 K C 0.532 177.141 176.600 0.015 0.000 1.048 219 K CA 0.469 56.755 56.287 -0.002 0.000 0.956 219 K CB 0.752 33.240 32.500 -0.021 0.000 0.746 219 K HN -0.514 7.630 8.250 -0.033 0.087 0.461 220 G N -0.082 108.742 108.800 0.039 0.000 2.324 220 G HA2 -0.282 3.776 3.960 0.082 0.000 0.292 220 G HA3 -0.282 3.702 3.960 0.039 0.000 0.292 220 G C -0.205 174.712 174.900 0.029 0.000 1.079 220 G CA 0.581 45.711 45.100 0.049 0.000 1.026 220 G HN -0.469 7.689 8.290 0.049 0.162 0.506 221 E N -1.519 118.696 120.200 0.024 0.000 2.511 221 E HA 0.247 4.599 4.350 0.002 0.000 0.214 221 E C -1.697 174.904 176.600 0.002 0.000 1.062 221 E CA -0.474 55.928 56.400 0.004 0.000 1.213 221 E CB 0.142 29.835 29.700 -0.012 0.000 1.214 221 E HN -0.325 8.055 8.360 0.033 0.000 0.441 222 T N -1.303 113.262 114.554 0.018 0.000 2.933 222 T HA 0.704 5.399 4.350 -0.018 -0.356 0.305 222 T C -1.620 173.080 174.700 0.000 0.000 1.092 222 T CA -2.465 59.638 62.100 0.004 0.000 1.008 222 T CB 1.983 70.866 68.868 0.026 0.000 1.102 222 T HN -0.575 7.602 8.240 0.033 0.083 0.469 223 A N 7.338 130.150 122.820 -0.014 0.000 2.833 223 A HA 0.349 4.674 4.320 0.009 0.000 0.293 223 A C -2.219 175.373 177.584 0.013 0.000 1.338 223 A CA -0.533 51.504 52.037 -0.001 0.000 0.959 223 A CB 0.737 19.732 19.000 -0.008 0.000 1.094 223 A HN 0.230 8.271 8.150 -0.029 0.092 0.569 224 M N -3.008 116.593 119.600 0.002 0.000 2.602 224 M HA 0.048 4.567 4.480 0.065 0.000 0.267 224 M C -2.842 173.466 176.300 0.013 0.000 0.922 224 M CA 0.744 56.063 55.300 0.032 0.000 0.845 224 M CB 2.035 34.667 32.600 0.052 0.000 1.824 224 M HN -0.713 7.505 8.290 -0.015 0.064 0.578 225 T N 4.839 119.394 114.554 0.002 0.000 2.868 225 T HA 0.394 4.882 4.350 0.229 0.000 0.306 225 T C -2.893 171.790 174.700 -0.028 0.000 1.224 225 T CA -0.526 61.581 62.100 0.012 0.000 1.012 225 T CB 3.947 72.667 68.868 -0.247 0.000 1.221 225 T HN 0.108 8.341 8.240 -0.013 0.000 0.499 226 I N 3.262 123.796 120.570 -0.060 0.000 2.382 226 I HA 0.417 4.615 4.170 -0.101 -0.089 0.285 226 I C -2.297 173.607 176.117 -0.354 0.000 1.007 226 I CA -1.726 59.483 61.300 -0.152 0.000 1.142 226 I CB 1.775 39.768 38.000 -0.012 0.000 1.289 226 I HN 0.158 8.332 8.210 -0.060 0.000 0.453 227 N N 7.215 125.777 118.700 -0.231 0.000 2.732 227 N HA 0.497 5.268 4.740 0.052 0.000 0.259 227 N C -1.895 173.643 175.510 0.046 0.000 1.402 227 N CA -1.585 51.417 53.050 -0.079 0.000 0.829 227 N CB 3.277 41.507 38.487 -0.429 0.000 1.495 227 N HN 0.561 8.822 8.380 -0.198 0.000 0.511 228 G N -4.132 104.818 108.800 0.250 0.000 2.606 228 G HA2 0.250 4.279 3.960 0.115 0.000 0.300 228 G HA3 0.250 4.388 3.960 0.157 -0.084 0.300 228 G C -3.060 172.008 174.900 0.279 0.000 1.360 228 G CA -0.597 44.620 45.100 0.195 0.000 0.783 228 G HN -0.076 8.503 8.290 0.482 0.000 0.484 229 P HA -0.058 4.468 4.420 0.176 0.000 0.238 229 P C -2.115 175.356 177.300 0.284 0.000 1.679 229 P CA 0.695 63.915 63.100 0.199 0.000 1.080 229 P CB -1.852 29.933 31.700 0.142 0.000 1.961 230 W N 2.571 123.906 121.300 0.058 0.000 5.465 230 W HA 0.023 4.684 4.660 0.001 0.000 0.160 230 W C -1.584 174.889 176.519 -0.075 0.000 1.373 230 W CA 2.467 59.816 57.345 0.005 0.000 1.891 230 W CB 1.231 30.706 29.460 0.025 0.000 0.552 230 W HN 0.356 8.680 8.180 0.316 0.046 1.112 231 A N 0.180 122.693 122.820 -0.511 0.000 1.984 231 A HA 0.096 3.459 4.320 -1.595 0.000 0.214 231 A C 0.415 177.475 177.584 -0.874 0.000 1.173 231 A CA 1.133 52.430 52.037 -1.233 0.000 0.673 231 A CB 0.806 18.963 19.000 -1.403 0.000 0.830 231 A HN -0.423 7.914 8.150 0.313 0.000 0.453 232 W N -1.665 119.551 121.300 -0.141 0.000 2.317 232 W HA 0.300 4.907 4.660 -0.087 0.000 0.290 232 W C -0.872 175.619 176.519 -0.046 0.000 0.937 232 W CA -1.597 55.700 57.345 -0.080 0.000 1.790 232 W CB -1.840 27.585 29.460 -0.060 0.000 1.847 232 W HN -0.589 7.738 8.180 0.244 0.000 0.411 233 S N 2.021 117.775 115.700 0.090 0.000 2.371 233 S HA -0.184 4.347 4.470 0.102 0.000 0.224 233 S C 0.137 174.790 174.600 0.088 0.000 1.029 233 S CA 2.023 60.271 58.200 0.080 0.000 0.978 233 S CB 0.279 63.498 63.200 0.032 0.000 0.833 233 S HN 0.111 8.417 8.310 -0.007 0.000 0.466 234 N N 0.678 119.428 118.700 0.085 0.000 3.105 234 N HA 0.036 4.818 4.740 0.069 0.000 0.256 234 N C -1.124 174.446 175.510 0.100 0.000 1.174 234 N CA -0.683 52.414 53.050 0.079 0.000 1.030 234 N CB -0.649 37.875 38.487 0.060 0.000 1.305 234 N HN -0.130 8.294 8.380 0.074 0.000 0.509 235 I N 2.204 122.823 120.570 0.082 0.000 2.919 235 I HA -0.293 3.923 4.170 0.077 0.000 0.303 235 I C -0.792 175.346 176.117 0.035 0.000 1.221 235 I CA 1.265 62.587 61.300 0.037 0.000 1.444 235 I CB 0.614 38.571 38.000 -0.072 0.000 1.331 235 I HN -0.329 7.926 8.210 0.075 0.000 0.572 236 D N 7.963 128.390 120.400 0.043 0.000 2.511 236 D HA 0.097 4.771 4.640 0.058 0.000 0.276 236 D C -0.111 176.195 176.300 0.010 0.000 1.220 236 D CA -0.658 53.374 54.000 0.053 0.000 1.077 236 D CB 1.688 42.553 40.800 0.108 0.000 1.126 236 D HN 0.057 8.454 8.370 0.046 0.000 0.583 237 T N 2.797 117.367 114.554 0.027 0.000 3.738 237 T HA -0.099 4.259 4.350 0.015 0.000 0.231 237 T C -0.880 173.821 174.700 0.001 0.000 0.967 237 T CA 1.310 63.421 62.100 0.018 0.000 1.227 237 T CB -1.928 66.957 68.868 0.029 0.000 1.136 237 T HN 0.144 8.411 8.240 0.044 0.000 0.807 238 S N 5.101 120.772 115.700 -0.048 0.000 2.438 238 S HA 0.079 4.528 4.470 -0.033 0.000 0.227 238 S C -1.082 173.485 174.600 -0.055 0.000 1.265 238 S CA -0.660 57.492 58.200 -0.081 0.000 1.265 238 S CB -0.151 62.931 63.200 -0.197 0.000 0.987 238 S HN 0.097 8.336 8.310 -0.072 0.027 0.502 239 K N -1.252 119.157 120.400 0.016 0.000 6.865 239 K HA -0.235 4.123 4.320 0.064 0.000 0.761 239 K C 0.120 176.820 176.600 0.166 0.000 2.274 239 K CA 0.440 56.770 56.287 0.072 0.000 1.700 239 K CB -0.211 32.333 32.500 0.074 0.000 1.937 239 K HN -0.333 7.866 8.250 0.016 0.060 0.307 240 V N -4.355 115.655 119.914 0.160 0.000 2.324 240 V HA -0.405 3.893 4.120 0.297 0.000 0.250 240 V C 0.003 176.253 176.094 0.261 0.000 1.060 240 V CA 2.163 64.598 62.300 0.224 0.000 1.042 240 V CB 0.060 31.952 31.823 0.116 0.000 0.650 240 V HN 0.005 8.258 8.190 0.105 0.000 0.450 241 N N 0.910 119.706 118.700 0.160 0.000 2.415 241 N HA 0.092 4.808 4.740 -0.039 0.000 0.250 241 N C -2.055 173.552 175.510 0.161 0.000 1.127 241 N CA -0.119 52.973 53.050 0.070 0.000 0.945 241 N CB -0.974 37.538 38.487 0.041 0.000 1.196 241 N HN -0.299 8.150 8.380 0.131 0.010 0.499 242 Y N 0.921 121.232 120.300 0.020 0.000 2.513 242 Y HA 0.825 5.558 4.550 0.046 -0.155 0.340 242 Y C -1.281 174.640 175.900 0.035 0.000 1.055 242 Y CA -2.904 55.212 58.100 0.027 0.000 1.020 242 Y CB 2.774 41.233 38.460 -0.001 0.000 1.301 242 Y HN -0.617 7.416 8.280 -0.411 0.000 0.453 243 G N 0.781 109.681 108.800 0.167 0.000 2.504 243 G HA2 0.082 4.042 3.960 0.001 0.000 0.288 243 G HA3 0.082 4.175 3.960 0.222 0.000 0.288 243 G C -1.556 173.385 174.900 0.068 0.000 1.182 243 G CA -1.107 44.057 45.100 0.107 0.000 0.894 243 G HN 0.599 8.927 8.290 0.264 0.122 0.521 244 V N 2.651 122.568 119.914 0.005 0.000 2.380 244 V HA 0.419 4.626 4.120 -0.040 -0.111 0.286 244 V C -1.020 175.034 176.094 -0.067 0.000 1.015 244 V CA -0.480 61.804 62.300 -0.026 0.000 0.834 244 V CB 2.510 34.342 31.823 0.015 0.000 1.009 244 V HN 0.184 8.382 8.190 0.013 0.000 0.428 245 T N 8.419 122.871 114.554 -0.169 0.000 2.907 245 T HA 0.371 4.694 4.350 -0.044 0.000 0.290 245 T C -1.590 173.051 174.700 -0.098 0.000 1.066 245 T CA -2.363 59.659 62.100 -0.130 0.000 1.012 245 T CB 2.507 71.255 68.868 -0.199 0.000 1.184 245 T HN 0.996 8.957 8.240 -0.277 0.112 0.522 246 V N 1.145 121.035 119.914 -0.040 0.000 2.924 246 V HA -0.104 3.999 4.120 -0.029 0.000 0.305 246 V C -0.179 175.902 176.094 -0.022 0.000 1.073 246 V CA -0.622 61.664 62.300 -0.024 0.000 1.098 246 V CB 0.943 32.763 31.823 -0.006 0.000 1.000 246 V HN 0.105 8.287 8.190 -0.012 0.000 0.484 247 L N 6.927 128.140 121.223 -0.016 0.000 2.492 247 L HA 0.018 4.361 4.340 0.005 0.000 0.280 247 L C -1.049 175.825 176.870 0.006 0.000 1.240 247 L CA 0.673 55.513 54.840 -0.001 0.000 0.831 247 L CB -0.517 41.543 42.059 0.002 0.000 1.100 247 L HN 0.250 8.470 8.230 -0.018 0.000 0.505 248 P HA 0.179 4.607 4.420 0.014 0.000 0.307 248 P C -1.218 176.018 177.300 -0.107 0.000 1.306 248 P CA -0.695 62.388 63.100 -0.028 0.000 0.742 248 P CB 1.584 33.277 31.700 -0.010 0.000 1.349 249 T N -3.874 110.566 114.554 -0.190 0.000 2.948 249 T HA 0.192 4.490 4.350 -0.088 0.000 0.285 249 T C -0.982 173.494 174.700 -0.374 0.000 1.019 249 T CA -0.831 61.160 62.100 -0.181 0.000 1.013 249 T CB 2.065 70.858 68.868 -0.124 0.000 1.117 249 T HN -0.413 7.707 8.240 -0.199 0.000 0.533 250 F N -1.895 117.945 119.950 -0.184 0.000 2.651 250 F HA 0.036 4.383 4.527 -0.299 0.000 0.327 250 F C -0.936 174.763 175.800 -0.168 0.000 1.133 250 F CA 0.125 57.964 58.000 -0.268 0.000 1.076 250 F CB 3.313 42.073 39.000 -0.400 0.000 1.315 250 F HN -0.414 7.876 8.300 -0.016 0.000 0.499 251 K N 3.928 124.392 120.400 0.106 0.000 2.938 251 K HA -0.407 3.942 4.320 0.049 0.000 0.250 251 K C 0.112 176.733 176.600 0.036 0.000 0.939 251 K CA 1.420 57.745 56.287 0.063 0.000 0.694 251 K CB -1.560 30.986 32.500 0.076 0.000 1.267 251 K HN 0.845 9.162 8.250 0.111 0.000 0.483 252 G N -6.030 102.781 108.800 0.019 0.000 2.149 252 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.235 252 G HA3 -0.278 3.689 3.960 0.012 0.000 0.235 252 G C -1.120 173.789 174.900 0.015 0.000 1.018 252 G CA -0.029 45.078 45.100 0.010 0.000 0.728 252 G HN 0.098 8.347 8.290 0.006 0.045 0.508 253 Q N -2.105 117.709 119.800 0.024 0.000 2.472 253 Q HA 0.392 4.743 4.340 0.017 0.000 0.281 253 Q C -2.794 173.225 176.000 0.031 0.000 0.997 253 Q CA -2.523 53.294 55.803 0.023 0.000 0.828 253 Q CB 3.295 32.042 28.738 0.015 0.000 1.443 253 Q HN 0.221 8.386 8.270 0.036 0.126 0.390 254 P HA 0.316 4.749 4.420 0.022 0.000 0.294 254 P C 0.170 177.481 177.300 0.017 0.000 1.294 254 P CA -0.939 62.171 63.100 0.017 0.000 0.827 254 P CB 0.937 32.640 31.700 0.004 0.000 0.992 255 S N 4.477 120.193 115.700 0.027 0.000 2.558 255 S HA -0.254 4.353 4.470 0.007 -0.132 0.288 255 S C 0.008 174.615 174.600 0.013 0.000 1.318 255 S CA 1.768 59.981 58.200 0.023 0.000 1.056 255 S CB 0.474 63.704 63.200 0.050 0.000 0.853 255 S HN 0.182 8.515 8.310 0.038 0.000 0.505 256 K N 5.729 126.129 120.400 -0.000 0.000 2.273 256 K HA 0.246 4.552 4.320 -0.023 0.000 0.287 256 K C -1.693 174.905 176.600 -0.004 0.000 1.089 256 K CA -2.409 53.864 56.287 -0.023 0.000 0.909 256 K CB 0.293 32.752 32.500 -0.068 0.000 1.123 256 K HN -0.155 8.003 8.250 -0.006 0.089 0.473 257 P HA 0.138 4.563 4.420 0.009 0.000 0.278 257 P C -1.214 176.073 177.300 -0.023 0.000 1.238 257 P CA -0.953 62.135 63.100 -0.021 0.000 0.794 257 P CB 0.957 32.619 31.700 -0.063 0.000 0.955 258 F N 1.329 121.190 119.950 -0.148 0.000 2.443 258 F HA 0.247 4.926 4.527 -0.023 -0.165 0.353 258 F C 0.716 176.485 175.800 -0.052 0.000 1.101 258 F CA 0.747 58.721 58.000 -0.043 0.000 1.226 258 F CB 1.271 40.366 39.000 0.158 0.000 1.140 258 F HN 0.025 8.389 8.300 0.106 0.000 0.557 259 V N 4.195 124.138 119.914 0.048 0.000 2.406 259 V HA -0.004 4.138 4.120 0.036 0.000 0.272 259 V C -0.647 175.530 176.094 0.139 0.000 1.043 259 V CA -0.305 62.030 62.300 0.058 0.000 0.915 259 V CB 0.216 32.044 31.823 0.008 0.000 0.988 259 V HN -0.056 8.079 8.190 -0.092 0.000 0.466 260 G N 6.097 114.976 108.800 0.132 0.000 2.478 260 G HA2 0.481 4.552 3.960 0.185 0.000 0.317 260 G HA3 0.481 4.665 3.960 0.197 -0.106 0.317 260 G C -2.295 172.666 174.900 0.102 0.000 1.259 260 G CA -0.944 44.251 45.100 0.159 0.000 0.933 260 G HN -0.257 8.091 8.290 0.097 0.000 0.478 261 V N 3.871 123.839 119.914 0.090 0.000 2.325 261 V HA 0.449 4.715 4.120 0.004 -0.144 0.280 261 V C -0.953 175.117 176.094 -0.040 0.000 1.016 261 V CA -1.855 60.460 62.300 0.025 0.000 0.818 261 V CB 0.719 32.558 31.823 0.026 0.000 1.019 261 V HN 0.245 8.509 8.190 0.124 0.000 0.434 262 L N 8.638 129.822 121.223 -0.065 0.000 2.312 262 L HA 0.175 4.370 4.340 -0.366 -0.075 0.287 262 L C -1.350 175.316 176.870 -0.341 0.000 1.091 262 L CA -0.253 54.420 54.840 -0.278 0.000 0.846 262 L CB -1.479 40.480 42.059 -0.167 0.000 1.219 262 L HN -0.091 8.142 8.230 0.005 0.000 0.439 263 S N 2.629 117.988 115.700 -0.569 0.000 2.538 263 S HA 0.645 5.229 4.470 0.063 -0.076 0.288 263 S C -1.225 173.049 174.600 -0.544 0.000 1.108 263 S CA -1.681 56.316 58.200 -0.338 0.000 0.971 263 S CB 3.257 66.290 63.200 -0.279 0.000 1.041 263 S HN -0.053 7.780 8.310 -0.672 0.075 0.483 264 A N 2.966 125.632 122.820 -0.257 0.000 2.260 264 A HA 0.944 5.257 4.320 -0.421 -0.245 0.312 264 A C -0.387 176.681 177.584 -0.860 0.000 1.321 264 A CA -1.787 50.001 52.037 -0.416 0.000 0.928 264 A CB 1.066 20.096 19.000 0.051 0.000 1.158 264 A HN 0.069 8.189 8.150 -0.050 0.000 0.542 265 G N 2.967 111.601 108.800 -0.277 0.000 2.461 265 G HA2 0.480 4.286 3.960 -0.256 0.000 0.329 265 G HA3 0.480 4.724 3.960 0.237 -0.143 0.329 265 G C -2.443 172.477 174.900 0.032 0.000 1.170 265 G CA -2.026 43.045 45.100 -0.048 0.000 0.935 265 G HN -0.146 8.028 8.290 -0.193 0.000 0.492 266 I N -3.071 117.547 120.570 0.080 0.000 2.395 266 I HA 0.165 4.403 4.170 0.114 0.000 0.289 266 I C -0.770 175.410 176.117 0.105 0.000 1.023 266 I CA -1.158 60.209 61.300 0.111 0.000 1.350 266 I CB 1.797 39.878 38.000 0.134 0.000 1.409 266 I HN 0.159 8.415 8.210 0.077 0.000 0.507 267 N N 5.260 124.056 118.700 0.159 0.000 1.941 267 N HA -0.400 4.628 4.740 0.479 0.000 0.212 267 N C -0.711 174.923 175.510 0.208 0.000 1.439 267 N CA 2.186 55.409 53.050 0.288 0.000 0.831 267 N CB 0.553 39.205 38.487 0.275 0.000 0.893 267 N HN 0.458 8.930 8.380 0.153 0.000 0.459 268 A N -0.739 122.211 122.820 0.217 0.000 2.258 268 A HA 0.121 4.626 4.320 0.062 -0.148 0.316 268 A C -0.812 176.815 177.584 0.072 0.000 1.279 268 A CA 0.408 52.505 52.037 0.099 0.000 0.876 268 A CB 0.796 19.832 19.000 0.060 0.000 1.170 268 A HN 0.283 8.579 8.150 0.242 0.000 0.520 269 A N 4.998 127.845 122.820 0.045 0.000 1.303 269 A HA -0.263 4.069 4.320 0.020 0.000 0.208 269 A C -1.722 175.886 177.584 0.040 0.000 0.554 269 A CA 1.092 53.150 52.037 0.035 0.000 1.109 269 A CB -0.732 18.290 19.000 0.036 0.000 1.465 269 A HN 0.526 8.697 8.150 0.034 0.000 0.722 270 S N -3.051 112.684 115.700 0.058 0.000 2.407 270 S HA 0.110 4.616 4.470 0.060 0.000 0.327 270 S C -2.862 171.779 174.600 0.069 0.000 0.655 270 S CA -0.175 58.060 58.200 0.058 0.000 0.734 270 S CB 0.323 63.548 63.200 0.041 0.000 1.103 270 S HN -0.465 7.844 8.310 0.074 0.046 0.514 271 P HA 0.240 4.709 4.420 0.082 0.000 0.285 271 P C -1.073 176.273 177.300 0.077 0.000 1.448 271 P CA -0.525 62.627 63.100 0.088 0.000 0.953 271 P CB 0.308 32.076 31.700 0.113 0.000 1.175 272 N N 4.347 123.085 118.700 0.064 0.000 2.726 272 N HA -0.417 4.355 4.740 0.054 0.000 0.287 272 N C 0.655 176.209 175.510 0.073 0.000 1.052 272 N CA 0.910 53.996 53.050 0.061 0.000 0.805 272 N CB -0.249 38.270 38.487 0.054 0.000 0.944 272 N HN 0.390 8.805 8.380 0.059 0.000 0.574 273 K N -3.467 116.976 120.400 0.073 0.000 2.147 273 K HA -0.300 4.079 4.320 0.099 0.000 0.205 273 K C 1.629 178.286 176.600 0.097 0.000 1.049 273 K CA 2.872 59.210 56.287 0.085 0.000 0.936 273 K CB -0.049 32.491 32.500 0.067 0.000 0.722 273 K HN 0.012 8.300 8.250 0.063 0.000 0.446 274 E N 0.661 120.911 120.200 0.083 0.000 2.033 274 E HA -0.331 4.072 4.350 0.089 0.000 0.199 274 E C 2.371 179.043 176.600 0.120 0.000 1.011 274 E CA 3.165 59.619 56.400 0.089 0.000 0.815 274 E CB -1.040 28.701 29.700 0.068 0.000 0.755 274 E HN 0.037 8.421 8.360 0.070 0.019 0.451 275 L N -1.531 119.762 121.223 0.117 0.000 1.994 275 L HA -0.357 4.091 4.340 0.180 0.000 0.208 275 L C 1.488 178.475 176.870 0.195 0.000 1.071 275 L CA 3.521 58.452 54.840 0.153 0.000 0.745 275 L CB -0.254 41.870 42.059 0.109 0.000 0.892 275 L HN -0.408 7.878 8.230 0.094 0.000 0.431 276 A N -2.762 120.148 122.820 0.150 0.000 1.933 276 A HA -0.358 4.057 4.320 0.158 0.000 0.218 276 A C 1.882 179.603 177.584 0.228 0.000 1.175 276 A CA 3.252 55.392 52.037 0.172 0.000 0.628 276 A CB -0.720 18.366 19.000 0.144 0.000 0.814 276 A HN -0.516 7.706 8.150 0.119 0.000 0.444 277 K N -2.201 118.318 120.400 0.200 0.000 2.057 277 K HA -0.336 4.129 4.320 0.241 0.000 0.207 277 K C 2.145 178.876 176.600 0.218 0.000 1.049 277 K CA 2.934 59.347 56.287 0.211 0.000 0.931 277 K CB -0.537 32.062 32.500 0.166 0.000 0.714 277 K HN 0.314 8.544 8.250 0.168 0.121 0.440 278 E N 0.182 120.516 120.200 0.222 0.000 2.033 278 E HA -0.209 4.238 4.350 0.162 0.000 0.189 278 E C 1.774 178.543 176.600 0.281 0.000 0.979 278 E CA 2.784 59.316 56.400 0.219 0.000 0.802 278 E CB 0.281 30.106 29.700 0.208 0.000 0.763 278 E HN -0.724 7.767 8.360 0.218 0.000 0.449 279 F N 2.018 122.115 119.950 0.246 0.000 2.046 279 F HA -0.367 4.345 4.527 0.308 0.000 0.297 279 F C 1.690 177.525 175.800 0.059 0.000 1.123 279 F CA 3.710 61.819 58.000 0.181 0.000 1.199 279 F CB 0.048 39.067 39.000 0.031 0.000 0.972 279 F HN -0.440 8.175 8.300 0.524 0.000 0.474 280 L N -2.293 119.149 121.223 0.365 0.000 2.051 280 L HA -0.481 3.907 4.340 0.079 0.000 0.214 280 L C 2.154 178.991 176.870 -0.055 0.000 1.076 280 L CA 3.583 58.492 54.840 0.115 0.000 0.758 280 L CB -0.924 41.206 42.059 0.119 0.000 0.890 280 L HN -0.346 8.191 8.230 0.512 0.000 0.433 281 E N -3.057 117.156 120.200 0.023 0.000 2.152 281 E HA -0.314 3.979 4.350 -0.096 0.000 0.192 281 E C 1.688 178.232 176.600 -0.093 0.000 0.983 281 E CA 2.468 58.847 56.400 -0.034 0.000 0.818 281 E CB -0.069 29.660 29.700 0.050 0.000 0.758 281 E HN -0.574 7.789 8.360 0.121 0.069 0.467 282 N N -3.400 115.242 118.700 -0.097 0.000 2.392 282 N HA -0.065 4.589 4.740 -0.143 0.000 0.177 282 N C 0.281 175.590 175.510 -0.334 0.000 1.066 282 N CA 0.964 53.914 53.050 -0.166 0.000 0.895 282 N CB 0.737 39.174 38.487 -0.084 0.000 0.988 282 N HN 0.259 8.408 8.380 -0.039 0.207 0.457 283 Y N -1.928 118.086 120.300 -0.476 0.000 2.583 283 Y HA 0.000 4.294 4.550 -0.427 0.000 0.270 283 Y C 0.978 176.602 175.900 -0.460 0.000 1.113 283 Y CA 1.942 59.667 58.100 -0.625 0.000 1.307 283 Y CB 1.512 39.150 38.460 -1.371 0.000 1.369 283 Y HN 0.230 8.194 8.280 -0.368 0.095 0.506 284 L N -1.072 119.989 121.223 -0.270 0.000 2.151 284 L HA -0.281 3.929 4.340 -0.217 0.000 0.215 284 L C 1.503 178.280 176.870 -0.155 0.000 1.084 284 L CA 3.032 57.744 54.840 -0.213 0.000 0.764 284 L CB -0.108 41.807 42.059 -0.239 0.000 0.891 284 L HN -0.424 7.583 8.230 -0.372 0.000 0.435 285 L N -4.694 116.441 121.223 -0.146 0.000 2.939 285 L HA 0.004 4.295 4.340 -0.082 0.000 0.239 285 L C -0.374 176.442 176.870 -0.089 0.000 1.325 285 L CA -0.171 54.604 54.840 -0.109 0.000 1.170 285 L CB -1.706 40.277 42.059 -0.126 0.000 1.538 285 L HN -0.315 7.788 8.230 -0.172 0.025 0.452 286 T N -5.412 109.098 114.554 -0.073 0.000 2.900 286 T HA 0.296 4.620 4.350 -0.043 0.000 0.303 286 T C -0.924 173.760 174.700 -0.026 0.000 1.142 286 T CA -2.424 59.651 62.100 -0.042 0.000 1.007 286 T CB 3.141 71.993 68.868 -0.026 0.000 1.156 286 T HN -0.477 7.601 8.240 -0.086 0.111 0.490 287 D N 0.162 120.560 120.400 -0.005 0.000 2.351 287 D HA -0.166 4.480 4.640 0.010 0.000 0.216 287 D C 0.680 176.969 176.300 -0.018 0.000 0.968 287 D CA 2.540 56.542 54.000 0.003 0.000 0.899 287 D CB -0.452 40.361 40.800 0.021 0.000 0.907 287 D HN 0.449 8.818 8.370 -0.003 0.000 0.514 288 E N -1.043 119.158 120.200 0.002 0.000 2.051 288 E HA -0.113 4.225 4.350 -0.020 0.000 0.189 288 E C 2.122 178.660 176.600 -0.103 0.000 0.979 288 E CA 2.309 58.704 56.400 -0.009 0.000 0.803 288 E CB 0.238 30.003 29.700 0.107 0.000 0.761 288 E HN -0.794 7.530 8.360 0.029 0.054 0.451 289 G N -0.063 108.669 108.800 -0.112 0.000 2.456 289 G HA2 -0.190 3.617 3.960 -0.255 0.000 0.213 289 G HA3 -0.190 3.641 3.960 -0.216 0.000 0.213 289 G C 1.307 176.058 174.900 -0.249 0.000 1.215 289 G CA 1.798 46.772 45.100 -0.211 0.000 0.805 289 G HN -0.163 8.115 8.290 -0.020 0.000 0.537 290 L N 0.217 121.276 121.223 -0.274 0.000 2.012 290 L HA -0.280 3.706 4.340 -0.590 0.000 0.210 290 L C 2.229 178.724 176.870 -0.625 0.000 1.073 290 L CA 3.144 57.672 54.840 -0.520 0.000 0.748 290 L CB -0.684 41.134 42.059 -0.401 0.000 0.891 290 L HN -0.283 7.830 8.230 -0.195 0.000 0.431 291 E N -2.381 117.655 120.200 -0.274 0.000 2.216 291 E HA -0.226 4.074 4.350 -0.083 0.000 0.192 291 E C 1.849 178.387 176.600 -0.103 0.000 0.988 291 E CA 2.749 59.080 56.400 -0.114 0.000 0.834 291 E CB -0.296 29.410 29.700 0.010 0.000 0.772 291 E HN -0.565 7.581 8.360 -0.174 0.110 0.479 292 A N 0.209 122.952 122.820 -0.129 0.000 1.930 292 A HA -0.256 4.024 4.320 -0.066 0.000 0.217 292 A C 1.914 179.427 177.584 -0.117 0.000 1.175 292 A CA 3.163 55.138 52.037 -0.103 0.000 0.627 292 A CB -0.657 18.274 19.000 -0.116 0.000 0.815 292 A HN -0.415 7.545 8.150 -0.153 0.098 0.443 293 V N -0.160 119.646 119.914 -0.181 0.000 2.229 293 V HA -0.479 3.728 4.120 -0.146 -0.175 0.243 293 V C 2.106 178.129 176.094 -0.120 0.000 1.042 293 V CA 4.386 66.580 62.300 -0.178 0.000 1.000 293 V CB -0.407 31.264 31.823 -0.253 0.000 0.637 293 V HN -0.210 7.834 8.190 -0.231 0.008 0.446 294 N N -0.715 117.900 118.700 -0.142 0.000 2.112 294 N HA -0.429 4.393 4.740 0.137 0.000 0.200 294 N C 0.902 176.445 175.510 0.055 0.000 1.011 294 N CA 2.930 56.011 53.050 0.052 0.000 0.891 294 N CB -0.106 38.515 38.487 0.222 0.000 1.060 294 N HN -0.302 7.892 8.380 -0.311 0.000 0.478 295 K N -2.908 117.505 120.400 0.021 0.000 2.032 295 K HA -0.293 4.051 4.320 0.039 0.000 0.209 295 K C 0.852 177.458 176.600 0.011 0.000 1.048 295 K CA 2.648 58.948 56.287 0.021 0.000 0.927 295 K CB 0.190 32.695 32.500 0.008 0.000 0.712 295 K HN -0.195 8.047 8.250 -0.006 0.004 0.441 296 D N -2.735 117.659 120.400 -0.011 0.000 2.104 296 D HA -0.203 4.435 4.640 -0.004 0.000 0.194 296 D C 0.821 177.121 176.300 -0.001 0.000 0.994 296 D CA 1.859 55.851 54.000 -0.013 0.000 0.830 296 D CB 0.001 40.778 40.800 -0.038 0.000 0.959 296 D HN -0.466 7.820 8.370 -0.029 0.066 0.452 297 K N -0.116 120.286 120.400 0.003 0.000 2.393 297 K HA -0.216 4.116 4.320 0.020 0.000 0.264 297 K C -1.081 175.546 176.600 0.045 0.000 0.979 297 K CA 0.312 56.618 56.287 0.031 0.000 0.893 297 K CB 0.221 32.761 32.500 0.066 0.000 0.967 297 K HN 0.120 8.154 8.250 -0.012 0.209 0.521 298 P HA 0.036 4.484 4.420 0.047 0.000 0.207 298 P C -1.005 176.333 177.300 0.064 0.000 1.169 298 P CA 1.470 64.603 63.100 0.055 0.000 0.900 298 P CB 1.007 32.741 31.700 0.056 0.000 0.747 299 L N -3.344 117.922 121.223 0.072 0.000 1.719 299 L HA 0.171 4.551 4.340 0.067 0.000 0.119 299 L C -0.824 176.089 176.870 0.072 0.000 1.421 299 L CA 0.376 55.258 54.840 0.071 0.000 1.093 299 L CB 0.543 42.645 42.059 0.071 0.000 2.237 299 L HN -0.518 7.758 8.230 0.076 0.000 0.465 300 G N -0.957 107.891 108.800 0.080 0.000 2.403 300 G HA2 -0.061 3.938 3.960 0.065 0.000 0.259 300 G HA3 -0.061 3.954 3.960 0.091 0.000 0.259 300 G C -1.526 173.431 174.900 0.094 0.000 1.244 300 G CA 0.282 45.431 45.100 0.082 0.000 0.849 300 G HN -0.222 8.118 8.290 0.083 0.000 0.532 301 A N 0.552 123.425 122.820 0.088 0.000 2.306 301 A HA -0.074 4.388 4.320 0.116 -0.072 0.289 301 A C -2.880 174.762 177.584 0.098 0.000 0.993 301 A CA -0.244 51.862 52.037 0.114 0.000 0.548 301 A CB 0.557 19.647 19.000 0.150 0.000 1.524 301 A HN -0.196 7.992 8.150 0.064 0.000 0.627 302 V N -1.821 118.180 119.914 0.145 0.000 3.181 302 V HA 0.181 4.356 4.120 0.091 0.000 0.307 302 V C -2.113 174.161 176.094 0.300 0.000 1.310 302 V CA -1.064 61.320 62.300 0.139 0.000 1.067 302 V CB 3.883 35.694 31.823 -0.020 0.000 1.081 302 V HN -0.522 7.716 8.190 0.172 0.056 0.453 303 A N 1.465 124.507 122.820 0.370 0.000 1.884 303 A HA 0.133 4.750 4.320 0.213 -0.170 0.243 303 A C -1.865 175.977 177.584 0.429 0.000 1.556 303 A CA -0.041 52.208 52.037 0.354 0.000 1.608 303 A CB 0.017 19.095 19.000 0.130 0.000 0.932 303 A HN 0.148 8.471 8.150 0.287 0.000 0.813 304 L N -2.565 118.925 121.223 0.446 0.000 0.588 304 L HA -0.343 4.527 4.340 0.884 0.000 0.356 304 L C -0.675 176.531 176.870 0.560 0.000 1.004 304 L CA 0.284 55.470 54.840 0.577 0.000 1.223 304 L CB 1.342 43.566 42.059 0.274 0.000 0.066 304 L HN -0.129 8.305 8.230 0.340 0.000 0.099 305 K N 2.789 123.450 120.400 0.435 0.000 2.015 305 K HA -0.467 4.008 4.320 0.260 0.000 0.216 305 K C 1.654 178.278 176.600 0.040 0.000 1.052 305 K CA 3.288 59.636 56.287 0.101 0.000 0.937 305 K CB -0.207 32.146 32.500 -0.245 0.000 0.719 305 K HN 0.099 8.535 8.250 0.309 0.000 0.446 306 S N 0.116 115.837 115.700 0.034 0.000 2.365 306 S HA -0.348 4.111 4.470 -0.018 0.000 0.225 306 S C 1.759 176.404 174.600 0.074 0.000 1.039 306 S CA 3.599 61.815 58.200 0.026 0.000 1.033 306 S CB -0.705 62.509 63.200 0.023 0.000 0.887 306 S HN -0.025 8.299 8.310 0.024 0.000 0.447 307 Y N 0.454 120.766 120.300 0.021 0.000 2.509 307 Y HA -0.158 4.396 4.550 0.007 0.000 0.293 307 Y C 0.775 176.698 175.900 0.039 0.000 1.133 307 Y CA 2.049 60.163 58.100 0.024 0.000 1.283 307 Y CB -0.590 37.886 38.460 0.026 0.000 1.001 307 Y HN 0.389 8.821 8.280 0.253 0.000 0.555 308 E N 0.831 120.988 120.200 -0.071 0.000 2.106 308 E HA -0.452 3.728 4.350 -0.282 0.000 0.192 308 E C 1.962 178.449 176.600 -0.189 0.000 0.984 308 E CA 3.278 59.592 56.400 -0.142 0.000 0.806 308 E CB -1.193 28.556 29.700 0.083 0.000 0.750 308 E HN -0.578 7.714 8.360 0.096 0.126 0.458 309 E N 0.077 120.197 120.200 -0.133 0.000 2.028 309 E HA -0.347 3.935 4.350 -0.114 0.000 0.191 309 E C 2.233 178.763 176.600 -0.118 0.000 0.988 309 E CA 3.099 59.431 56.400 -0.113 0.000 0.799 309 E CB -0.061 29.591 29.700 -0.080 0.000 0.755 309 E HN -0.222 7.984 8.360 -0.090 0.100 0.447 310 E N -0.640 119.493 120.200 -0.111 0.000 2.038 310 E HA -0.317 4.005 4.350 -0.047 0.000 0.195 310 E C 3.074 179.575 176.600 -0.165 0.000 1.000 310 E CA 2.599 58.949 56.400 -0.084 0.000 0.803 310 E CB -0.080 29.631 29.700 0.017 0.000 0.750 310 E HN -0.655 7.655 8.360 -0.084 0.000 0.448 311 L N -0.512 120.463 121.223 -0.413 0.000 2.042 311 L HA -0.271 3.903 4.340 -0.277 0.000 0.210 311 L C 1.513 178.251 176.870 -0.220 0.000 1.076 311 L CA 2.552 57.125 54.840 -0.446 0.000 0.749 311 L CB -0.173 41.324 42.059 -0.935 0.000 0.893 311 L HN 0.526 8.279 8.230 -0.593 0.121 0.432 312 A N -2.529 120.176 122.820 -0.193 0.000 2.042 312 A HA -0.372 3.895 4.320 -0.088 0.000 0.222 312 A C 1.456 179.001 177.584 -0.066 0.000 1.167 312 A CA 2.563 54.538 52.037 -0.103 0.000 0.649 312 A CB -0.918 18.031 19.000 -0.086 0.000 0.809 312 A HN 0.280 8.088 8.150 -0.239 0.199 0.457 313 K N -1.313 119.048 120.400 -0.065 0.000 2.148 313 K HA -0.355 3.946 4.320 -0.031 0.000 0.213 313 K C 0.158 176.743 176.600 -0.024 0.000 1.050 313 K CA 2.244 58.509 56.287 -0.037 0.000 0.932 313 K CB -0.070 32.413 32.500 -0.029 0.000 0.717 313 K HN -0.740 7.316 8.250 -0.086 0.143 0.462 314 D N -1.388 118.998 120.400 -0.023 0.000 2.350 314 D HA 0.208 4.846 4.640 -0.003 0.000 0.249 314 D C -1.008 175.290 176.300 -0.004 0.000 1.119 314 D CA -1.723 52.274 54.000 -0.006 0.000 0.886 314 D CB 1.081 41.885 40.800 0.007 0.000 1.195 314 D HN -0.704 7.630 8.370 -0.036 0.015 0.437 315 P HA -0.144 4.275 4.420 -0.001 0.000 0.221 315 P C 0.897 178.206 177.300 0.014 0.000 1.145 315 P CA 1.493 64.595 63.100 0.003 0.000 0.795 315 P CB 0.347 32.047 31.700 -0.000 0.000 0.775 316 R N -3.314 117.202 120.500 0.026 0.000 2.070 316 R HA -0.352 4.014 4.340 0.042 0.000 0.232 316 R C 1.800 178.118 176.300 0.029 0.000 1.138 316 R CA 2.823 58.947 56.100 0.038 0.000 0.936 316 R CB -0.883 29.450 30.300 0.056 0.000 0.839 316 R HN -0.847 7.585 8.270 0.028 -0.145 0.429 317 I N -0.722 119.858 120.570 0.017 0.000 2.087 317 I HA -0.357 3.826 4.170 0.022 0.000 0.240 317 I C 2.196 178.320 176.117 0.012 0.000 1.054 317 I CA 1.503 62.809 61.300 0.009 0.000 1.311 317 I CB -1.862 36.125 38.000 -0.022 0.000 1.024 317 I HN -0.585 7.633 8.210 0.013 0.000 0.402 318 A N -0.968 121.855 122.820 0.006 0.000 1.903 318 A HA -0.454 3.878 4.320 0.020 0.000 0.219 318 A C 1.655 179.244 177.584 0.009 0.000 1.191 318 A CA 3.301 55.345 52.037 0.011 0.000 0.638 318 A CB -1.229 17.775 19.000 0.007 0.000 0.823 318 A HN -0.065 8.084 8.150 -0.002 0.000 0.451 319 A N -2.541 120.283 122.820 0.006 0.000 1.929 319 A HA -0.288 4.027 4.320 -0.009 0.000 0.216 319 A C 1.912 179.497 177.584 0.001 0.000 1.176 319 A CA 2.537 54.573 52.037 -0.001 0.000 0.628 319 A CB -0.621 18.379 19.000 -0.000 0.000 0.816 319 A HN -0.470 7.682 8.150 0.009 0.004 0.444 320 T N 2.066 116.631 114.554 0.018 0.000 2.720 320 T HA -0.502 3.867 4.350 0.032 0.000 0.268 320 T C 2.355 177.063 174.700 0.014 0.000 1.037 320 T CA 4.690 66.807 62.100 0.029 0.000 1.144 320 T CB -0.179 68.718 68.868 0.049 0.000 0.864 320 T HN 0.098 8.264 8.240 0.022 0.087 0.444 321 M N 0.420 120.029 119.600 0.015 0.000 2.193 321 M HA -0.366 4.129 4.480 0.026 0.000 0.265 321 M C 1.399 177.660 176.300 -0.064 0.000 1.071 321 M CA 4.275 59.586 55.300 0.018 0.000 1.140 321 M CB -0.164 32.491 32.600 0.092 0.000 1.369 321 M HN 0.432 8.734 8.290 0.021 0.000 0.423 322 E N 0.241 120.398 120.200 -0.072 0.000 2.070 322 E HA -0.458 3.761 4.350 -0.219 0.000 0.197 322 E C 2.489 179.010 176.600 -0.132 0.000 1.004 322 E CA 3.718 60.040 56.400 -0.130 0.000 0.805 322 E CB -0.128 29.529 29.700 -0.072 0.000 0.744 322 E HN -0.378 7.963 8.360 -0.030 0.000 0.451 323 N N -1.466 117.186 118.700 -0.079 0.000 2.207 323 N HA -0.186 4.509 4.740 -0.075 0.000 0.182 323 N C 1.338 176.804 175.510 -0.074 0.000 1.020 323 N CA 2.181 55.189 53.050 -0.070 0.000 0.858 323 N CB -0.103 38.356 38.487 -0.046 0.000 0.991 323 N HN -0.532 7.815 8.380 -0.055 0.000 0.427 324 A N -1.522 121.264 122.820 -0.057 0.000 1.958 324 A HA -0.283 4.017 4.320 -0.033 0.000 0.221 324 A C 1.421 178.973 177.584 -0.054 0.000 1.178 324 A CA 2.580 54.594 52.037 -0.037 0.000 0.642 324 A CB -0.447 18.552 19.000 -0.002 0.000 0.816 324 A HN -0.605 7.519 8.150 -0.045 0.000 0.453 325 Q N -3.916 115.820 119.800 -0.107 0.000 2.250 325 Q HA -0.124 4.188 4.340 -0.047 0.000 0.200 325 Q C 1.060 176.981 176.000 -0.132 0.000 0.941 325 Q CA 1.646 57.371 55.803 -0.130 0.000 0.872 325 Q CB 0.825 29.358 28.738 -0.342 0.000 0.965 325 Q HN -0.508 7.659 8.270 -0.143 0.017 0.480 326 K N 1.134 121.451 120.400 -0.139 0.000 2.758 326 K HA 0.059 4.321 4.320 -0.098 0.000 0.250 326 K C -1.006 175.550 176.600 -0.073 0.000 1.268 326 K CA -1.011 55.215 56.287 -0.102 0.000 1.228 326 K CB -1.289 31.152 32.500 -0.098 0.000 1.715 326 K HN -0.717 7.356 8.250 -0.152 0.086 0.334 327 G N -1.341 107.411 108.800 -0.080 0.000 2.791 327 G HA2 0.398 4.321 3.960 -0.061 0.000 0.158 327 G HA3 0.398 4.454 3.960 -0.097 -0.155 0.158 327 G C -1.901 172.927 174.900 -0.119 0.000 1.193 327 G CA 0.226 45.273 45.100 -0.087 0.000 1.032 327 G HN -0.558 7.613 8.290 -0.088 0.066 0.557 328 E N 0.717 120.791 120.200 -0.209 0.000 2.216 328 E HA 0.402 4.661 4.350 -0.151 0.000 0.260 328 E C -1.495 174.905 176.600 -0.332 0.000 0.880 328 E CA -1.163 55.072 56.400 -0.276 0.000 0.765 328 E CB 2.965 32.413 29.700 -0.421 0.000 1.174 328 E HN -0.008 8.210 8.360 -0.237 0.000 0.417 329 I N 5.703 126.187 120.570 -0.144 0.000 2.396 329 I HA -0.061 4.063 4.170 -0.076 0.000 0.289 329 I C -0.267 175.796 176.117 -0.091 0.000 1.056 329 I CA -0.458 60.798 61.300 -0.072 0.000 1.365 329 I CB 0.795 38.818 38.000 0.039 0.000 1.407 329 I HN 0.464 8.636 8.210 -0.064 0.000 0.509 330 M N 8.260 127.826 119.600 -0.057 0.000 2.243 330 M HA -0.181 4.278 4.480 -0.034 0.000 0.365 330 M C -1.485 174.763 176.300 -0.087 0.000 1.327 330 M CA 0.634 55.938 55.300 0.005 0.000 0.918 330 M CB -1.097 31.633 32.600 0.215 0.000 1.894 330 M HN 0.277 8.574 8.290 0.012 0.000 0.473 331 P HA -0.226 4.051 4.420 -0.239 0.000 0.295 331 P C -1.389 175.874 177.300 -0.061 0.000 1.300 331 P CA 0.753 63.597 63.100 -0.427 0.000 0.801 331 P CB 0.682 31.599 31.700 -1.306 0.000 1.420 332 N N -5.323 113.431 118.700 0.090 0.000 2.595 332 N HA 0.010 4.788 4.740 0.063 0.000 0.291 332 N C -1.683 173.889 175.510 0.102 0.000 1.706 332 N CA -0.293 52.826 53.050 0.115 0.000 0.867 332 N CB 1.245 39.842 38.487 0.184 0.000 1.414 332 N HN 0.315 8.828 8.380 0.222 0.000 0.492 333 I N -5.284 115.322 120.570 0.061 0.000 3.074 333 I HA 0.493 4.692 4.170 0.048 0.000 0.310 333 I C -1.341 174.800 176.117 0.040 0.000 1.153 333 I CA -3.311 58.024 61.300 0.058 0.000 0.993 333 I CB 0.037 38.099 38.000 0.103 0.000 1.237 333 I HN -0.743 7.462 8.210 -0.007 0.000 0.443 334 P HA -0.025 4.413 4.420 0.029 0.000 0.233 334 P C 0.717 178.053 177.300 0.060 0.000 1.167 334 P CA 1.339 64.458 63.100 0.031 0.000 0.770 334 P CB 0.436 32.138 31.700 0.004 0.000 0.837 335 Q N -1.788 118.060 119.800 0.080 0.000 2.291 335 Q HA -0.230 4.160 4.340 0.083 0.000 0.206 335 Q C 2.251 178.360 176.000 0.182 0.000 0.976 335 Q CA 2.547 58.417 55.803 0.112 0.000 0.875 335 Q CB -0.860 27.954 28.738 0.127 0.000 0.927 335 Q HN 0.516 8.779 8.270 0.074 0.052 0.450 336 M N 0.053 119.778 119.600 0.209 0.000 2.192 336 M HA -0.435 4.345 4.480 0.501 0.000 0.259 336 M C 1.583 178.087 176.300 0.341 0.000 1.071 336 M CA 3.713 59.211 55.300 0.331 0.000 1.082 336 M CB -0.378 32.375 32.600 0.255 0.000 1.373 336 M HN -0.551 7.781 8.290 0.141 0.043 0.408 337 S N -0.540 115.289 115.700 0.217 0.000 2.383 337 S HA -0.362 4.239 4.470 0.218 0.000 0.229 337 S C 1.629 176.392 174.600 0.270 0.000 1.030 337 S CA 2.765 61.084 58.200 0.199 0.000 1.002 337 S CB -0.459 62.788 63.200 0.078 0.000 0.829 337 S HN -0.579 7.801 8.310 0.155 0.023 0.467 338 A N 1.311 124.255 122.820 0.206 0.000 1.940 338 A HA -0.234 4.199 4.320 0.187 0.000 0.219 338 A C 1.915 179.615 177.584 0.194 0.000 1.176 338 A CA 2.745 54.875 52.037 0.155 0.000 0.631 338 A CB -0.722 18.290 19.000 0.019 0.000 0.814 338 A HN 0.373 8.492 8.150 0.171 0.133 0.446 339 F N -0.819 119.277 119.950 0.244 0.000 2.094 339 F HA -0.226 4.390 4.527 0.149 0.000 0.291 339 F C 1.318 177.277 175.800 0.265 0.000 1.109 339 F CA 2.361 60.493 58.000 0.221 0.000 1.221 339 F CB 0.091 39.223 39.000 0.221 0.000 1.014 339 F HN -0.728 7.711 8.300 0.414 0.109 0.473 340 W N -0.403 121.119 121.300 0.371 0.000 2.290 340 W HA -0.579 4.190 4.660 0.181 0.000 0.318 340 W C 1.857 178.499 176.519 0.205 0.000 1.248 340 W CA 4.260 61.742 57.345 0.228 0.000 1.263 340 W CB -0.301 29.270 29.460 0.186 0.000 1.147 340 W HN -0.193 8.412 8.180 0.708 0.000 0.494 341 Y N -0.978 119.575 120.300 0.421 0.000 2.220 341 Y HA -0.483 4.247 4.550 0.301 0.000 0.291 341 Y C 1.515 177.491 175.900 0.127 0.000 1.129 341 Y CA 3.195 61.450 58.100 0.258 0.000 1.161 341 Y CB -0.265 38.309 38.460 0.191 0.000 0.997 341 Y HN -0.303 8.367 8.280 0.655 0.004 0.522 342 A N -0.658 122.195 122.820 0.055 0.000 1.873 342 A HA -0.277 3.886 4.320 -0.262 0.000 0.215 342 A C 2.040 179.582 177.584 -0.070 0.000 1.186 342 A CA 3.201 55.194 52.037 -0.073 0.000 0.616 342 A CB -0.603 18.417 19.000 0.033 0.000 0.823 342 A HN -0.404 7.812 8.150 0.252 0.086 0.442 343 V N -1.483 118.443 119.914 0.019 0.000 2.453 343 V HA -0.415 3.626 4.120 -0.130 0.000 0.247 343 V C 2.261 178.166 176.094 -0.315 0.000 1.048 343 V CA 3.708 65.916 62.300 -0.154 0.000 1.049 343 V CB -0.949 30.740 31.823 -0.223 0.000 0.672 343 V HN 0.825 8.998 8.190 0.168 0.119 0.457 344 R N -0.780 119.539 120.500 -0.302 0.000 2.092 344 R HA -0.194 3.918 4.340 -0.379 0.000 0.231 344 R C 2.078 178.240 176.300 -0.229 0.000 1.119 344 R CA 3.138 59.054 56.100 -0.306 0.000 0.970 344 R CB -1.454 28.695 30.300 -0.252 0.000 0.864 344 R HN -0.282 7.853 8.270 -0.224 0.000 0.440 345 T N 3.244 117.648 114.554 -0.249 0.000 2.668 345 T HA -0.368 3.863 4.350 -0.200 0.000 0.262 345 T C 1.575 176.157 174.700 -0.197 0.000 1.045 345 T CA 4.890 66.841 62.100 -0.250 0.000 1.152 345 T CB -0.430 68.205 68.868 -0.388 0.000 0.864 345 T HN -0.513 7.474 8.240 -0.272 0.089 0.419 346 A N 1.014 123.719 122.820 -0.193 0.000 1.884 346 A HA -0.341 3.897 4.320 -0.136 0.000 0.219 346 A C 1.900 179.373 177.584 -0.186 0.000 1.197 346 A CA 3.176 55.115 52.037 -0.162 0.000 0.637 346 A CB -0.946 17.972 19.000 -0.138 0.000 0.827 346 A HN 0.265 8.184 8.150 -0.201 0.111 0.450 347 V N -0.795 118.972 119.914 -0.245 0.000 2.231 347 V HA -0.555 3.402 4.120 -0.272 0.000 0.248 347 V C 2.008 177.985 176.094 -0.194 0.000 1.054 347 V CA 4.639 66.781 62.300 -0.265 0.000 1.015 347 V CB -0.198 31.420 31.823 -0.342 0.000 0.638 347 V HN 0.298 8.197 8.190 -0.275 0.125 0.444 348 I N -2.211 118.257 120.570 -0.171 0.000 2.423 348 I HA -0.606 3.495 4.170 -0.116 0.000 0.254 348 I C 1.854 177.907 176.117 -0.108 0.000 1.151 348 I CA 3.762 64.988 61.300 -0.123 0.000 1.421 348 I CB -0.771 37.170 38.000 -0.100 0.000 1.079 348 I HN -0.381 7.716 8.210 -0.189 0.000 0.431 349 N N -0.238 118.391 118.700 -0.119 0.000 2.166 349 N HA -0.322 4.369 4.740 -0.082 0.000 0.186 349 N C 1.588 177.044 175.510 -0.090 0.000 1.019 349 N CA 3.395 56.386 53.050 -0.097 0.000 0.856 349 N CB 0.407 38.833 38.487 -0.101 0.000 0.993 349 N HN 0.185 8.290 8.380 -0.141 0.190 0.426 350 A N -1.689 121.066 122.820 -0.108 0.000 2.021 350 A HA -0.008 4.261 4.320 -0.084 0.000 0.216 350 A C 0.792 178.321 177.584 -0.092 0.000 1.163 350 A CA 2.042 54.019 52.037 -0.101 0.000 0.676 350 A CB -0.327 18.597 19.000 -0.126 0.000 0.818 350 A HN -0.051 7.918 8.150 -0.130 0.103 0.453 351 A N -3.241 119.520 122.820 -0.097 0.000 2.123 351 A HA 0.020 4.291 4.320 -0.082 0.000 0.214 351 A C 0.798 178.346 177.584 -0.059 0.000 1.152 351 A CA 1.837 53.824 52.037 -0.083 0.000 0.728 351 A CB 0.318 19.261 19.000 -0.095 0.000 0.814 351 A HN -0.357 7.630 8.150 -0.110 0.098 0.464 352 S N -3.574 112.093 115.700 -0.054 0.000 2.540 352 S HA 0.083 4.533 4.470 -0.034 0.000 0.222 352 S C 1.376 175.956 174.600 -0.034 0.000 1.008 352 S CA -0.169 58.008 58.200 -0.039 0.000 0.939 352 S CB 1.309 64.487 63.200 -0.037 0.000 0.865 352 S HN -0.658 7.583 8.310 -0.062 0.031 0.499 353 G N 1.832 110.609 108.800 -0.038 0.000 2.176 353 G HA2 -0.409 3.531 3.960 -0.033 0.000 0.253 353 G HA3 -0.409 3.536 3.960 -0.025 0.000 0.253 353 G C -0.049 174.834 174.900 -0.029 0.000 0.979 353 G CA 0.235 45.317 45.100 -0.031 0.000 0.641 353 G HN -0.024 8.238 8.290 -0.047 0.000 0.530 354 R N 1.198 121.679 120.500 -0.032 0.000 3.192 354 R HA 0.006 4.332 4.340 -0.024 0.000 0.264 354 R C -0.291 175.988 176.300 -0.034 0.000 1.464 354 R CA -0.738 55.344 56.100 -0.029 0.000 1.309 354 R CB -0.313 29.971 30.300 -0.027 0.000 1.283 354 R HN -0.038 8.138 8.270 -0.036 0.072 0.584 355 Q N -1.015 118.763 119.800 -0.037 0.000 2.527 355 Q HA 0.134 4.702 4.340 -0.051 -0.258 0.189 355 Q C 0.400 176.377 176.000 -0.039 0.000 1.116 355 Q CA 0.038 55.815 55.803 -0.044 0.000 1.169 355 Q CB 1.321 30.030 28.738 -0.048 0.000 1.211 355 Q HN -0.417 7.742 8.270 -0.038 0.088 0.649 356 T N -1.513 113.015 114.554 -0.044 0.000 5.409 356 T HA -0.086 4.244 4.350 -0.034 0.000 0.193 356 T C -0.921 173.750 174.700 -0.048 0.000 0.805 356 T CA -0.042 62.034 62.100 -0.039 0.000 0.400 356 T CB -0.097 68.751 68.868 -0.035 0.000 0.473 356 T HN 0.150 8.385 8.240 -0.052 -0.026 0.197 357 V N 4.304 124.185 119.914 -0.055 0.000 2.255 357 V HA -0.308 3.767 4.120 -0.075 0.000 0.243 357 V C 0.151 176.217 176.094 -0.046 0.000 1.038 357 V CA 3.282 65.543 62.300 -0.065 0.000 1.008 357 V CB 0.325 32.099 31.823 -0.083 0.000 0.645 357 V HN 0.438 8.966 8.190 -0.054 -0.371 0.449 358 D N -0.458 119.920 120.400 -0.037 0.000 2.133 358 D HA -0.368 4.263 4.640 -0.015 0.000 0.192 358 D C 2.599 178.891 176.300 -0.014 0.000 1.001 358 D CA 3.940 57.928 54.000 -0.021 0.000 0.844 358 D CB -0.584 40.205 40.800 -0.019 0.000 0.944 358 D HN 0.029 8.374 8.370 -0.040 0.000 0.447 359 E N -1.349 118.838 120.200 -0.020 0.000 2.021 359 E HA -0.248 4.095 4.350 -0.013 0.000 0.189 359 E C 1.817 178.404 176.600 -0.023 0.000 0.980 359 E CA 2.781 59.170 56.400 -0.018 0.000 0.803 359 E CB -0.334 29.354 29.700 -0.019 0.000 0.766 359 E HN -0.057 8.284 8.360 -0.025 0.005 0.449 360 A N 0.649 123.449 122.820 -0.033 0.000 1.917 360 A HA -0.277 4.020 4.320 -0.038 0.000 0.219 360 A C 2.459 180.017 177.584 -0.043 0.000 1.182 360 A CA 3.266 55.277 52.037 -0.044 0.000 0.633 360 A CB -0.644 18.317 19.000 -0.064 0.000 0.819 360 A HN 0.107 8.129 8.150 -0.037 0.107 0.448 361 L N -2.970 118.234 121.223 -0.030 0.000 2.095 361 L HA -0.173 4.164 4.340 -0.006 0.000 0.204 361 L C 1.504 178.384 176.870 0.016 0.000 1.080 361 L CA 2.358 57.201 54.840 0.006 0.000 0.759 361 L CB -0.939 41.143 42.059 0.038 0.000 0.914 361 L HN 0.124 8.328 8.230 -0.033 0.007 0.439 362 K N 0.874 121.281 120.400 0.011 0.000 1.985 362 K HA -0.295 4.245 4.320 0.033 -0.200 0.210 362 K C 2.305 178.896 176.600 -0.015 0.000 1.047 362 K CA 3.272 59.566 56.287 0.011 0.000 0.932 362 K CB -0.417 32.087 32.500 0.007 0.000 0.716 362 K HN 0.035 8.103 8.250 0.002 0.184 0.439 363 D N -0.736 119.652 120.400 -0.020 0.000 2.158 363 D HA -0.285 4.342 4.640 -0.021 0.000 0.197 363 D C 2.132 178.404 176.300 -0.046 0.000 0.995 363 D CA 3.298 57.282 54.000 -0.026 0.000 0.846 363 D CB -0.582 40.206 40.800 -0.021 0.000 0.941 363 D HN 0.445 8.683 8.370 -0.017 0.122 0.456 364 A N -0.766 122.018 122.820 -0.061 0.000 1.903 364 A HA -0.367 3.906 4.320 -0.078 0.000 0.219 364 A C 1.789 179.262 177.584 -0.185 0.000 1.191 364 A CA 3.268 55.240 52.037 -0.108 0.000 0.638 364 A CB -0.997 17.933 19.000 -0.116 0.000 0.823 364 A HN -0.309 7.615 8.150 -0.045 0.199 0.451 365 Q N -1.500 118.188 119.800 -0.186 0.000 2.112 365 Q HA -0.348 3.767 4.340 -0.375 0.000 0.206 365 Q C 2.369 178.304 176.000 -0.109 0.000 0.987 365 Q CA 3.387 59.072 55.803 -0.198 0.000 0.858 365 Q CB -0.313 28.382 28.738 -0.071 0.000 0.905 365 Q HN -0.069 8.038 8.270 -0.115 0.093 0.420 366 T N 1.675 116.192 114.554 -0.063 0.000 2.720 366 T HA -0.380 3.957 4.350 -0.023 0.000 0.268 366 T C 2.064 176.742 174.700 -0.036 0.000 1.037 366 T CA 4.110 66.190 62.100 -0.034 0.000 1.144 366 T CB -0.694 68.161 68.868 -0.021 0.000 0.864 366 T HN -0.413 7.701 8.240 -0.057 0.092 0.444 367 R N 1.129 121.600 120.500 -0.049 0.000 2.055 367 R HA -0.216 4.112 4.340 -0.021 0.000 0.228 367 R C 2.590 178.864 176.300 -0.043 0.000 1.143 367 R CA 2.836 58.914 56.100 -0.036 0.000 0.945 367 R CB 0.075 30.358 30.300 -0.028 0.000 0.841 367 R HN -0.054 8.093 8.270 -0.060 0.087 0.429 368 I N 0.214 120.731 120.570 -0.088 0.000 2.315 368 I HA -0.277 3.866 4.170 -0.044 0.000 0.251 368 I C 1.094 177.192 176.117 -0.031 0.000 1.125 368 I CA 2.868 64.117 61.300 -0.086 0.000 1.392 368 I CB -0.051 37.814 38.000 -0.226 0.000 1.065 368 I HN 0.500 8.523 8.210 -0.129 0.110 0.424 369 T N -5.627 108.907 114.554 -0.033 0.000 3.057 369 T HA 0.032 4.410 4.350 0.046 0.000 0.254 369 T C 0.107 174.816 174.700 0.015 0.000 1.094 369 T CA 0.577 62.686 62.100 0.015 0.000 1.088 369 T CB 0.986 69.866 68.868 0.021 0.000 0.934 369 T HN 0.020 8.101 8.240 -0.064 0.121 0.497 370 K N 0.000 120.400 120.400 0.000 0.000 2.780 370 K HA 0.000 4.325 4.320 0.009 0.000 0.191 370 K CA 0.000 56.289 56.287 0.003 0.000 0.838 370 K CB 0.000 32.500 32.500 0.001 0.000 1.064 370 K HN 0.000 8.036 8.250 -0.013 0.206 0.543