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 1n1p_1_A DATA FIRST_RESID 9 DATA SEQUENCE GYVPAVVIGT GYGAAVSALR LGEAGVQTLM LEMGQLWNQP GPDGNIFCGM DATA SEQUENCE LNPDKRSSWF KNRTEAPLGS FLWLDVVNRN IDPYAGVLDR VNYDQMSVYV DATA SEQUENCE GRGVGGGSLV NGGMAVEPKR SYFEEILPRV DSSEMYDRYF PRANSMLRVN DATA SEQUENCE HIDTKWFEDT EWYKFARVSR EQAGKAGLGT VFVPNVYDFG YMQREAAGEV DATA SEQUENCE PKSALATEVI YGNNHGKQSL DKTYLAAALG TGKVTIQTLH QVKTIRQTKD DATA SEQUENCE GGYALTVEQK DTDGKLLATK EISCRYLFLG AGSLGSTELL VRARDTGTLP DATA SEQUENCE NLNSEVGAGW GPNGNIMTAR ANHMWNPTGA HQSSIPALGI DAWDNSDSSV DATA SEQUENCE FAEIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYHP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVNPFV TITALAERNV ERIIKQDVT 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 4.001 3.960 0.068 0.000 0.244 9 G C 0.000 174.964 174.900 0.106 0.000 0.946 9 G CA 0.000 45.148 45.100 0.079 0.000 0.502 10 Y N 2.595 122.904 120.300 0.014 0.000 2.304 10 Y HA 0.715 5.504 4.550 0.019 -0.228 0.328 10 Y C -1.198 174.715 175.900 0.022 0.000 1.123 10 Y CA -1.095 57.015 58.100 0.016 0.000 1.218 10 Y CB 1.708 40.171 38.460 0.006 0.000 1.207 10 Y HN 0.053 8.473 8.280 0.233 0.000 0.495 11 V N 7.226 126.646 119.914 -0.824 0.000 2.841 11 V HA 0.609 4.308 4.120 -0.702 0.000 0.310 11 V C -2.508 173.057 176.094 -0.882 0.000 1.090 11 V CA -4.630 57.222 62.300 -0.748 0.000 0.930 11 V CB 3.472 35.126 31.823 -0.282 0.000 1.014 11 V HN 0.449 8.270 8.190 -0.615 0.000 0.425 12 P HA -0.162 4.163 4.420 -0.158 0.000 0.214 12 P C -1.629 175.727 177.300 0.094 0.000 1.163 12 P CA 2.031 65.040 63.100 -0.152 0.000 0.889 12 P CB 0.412 32.160 31.700 0.079 0.000 0.790 13 A N -6.097 116.805 122.820 0.135 0.000 2.355 13 A HA 0.883 5.656 4.320 0.391 -0.219 0.317 13 A C -2.066 175.598 177.584 0.132 0.000 1.094 13 A CA -1.750 50.450 52.037 0.271 0.000 0.764 13 A CB 3.267 22.449 19.000 0.303 0.000 1.230 13 A HN -0.417 7.763 8.150 0.050 0.000 0.448 14 V N 2.271 122.301 119.914 0.193 0.000 2.555 14 V HA 0.842 5.200 4.120 0.061 -0.201 0.302 14 V C -1.436 174.767 176.094 0.182 0.000 1.038 14 V CA -2.266 60.106 62.300 0.120 0.000 0.887 14 V CB 3.438 35.308 31.823 0.078 0.000 0.991 14 V HN 0.196 8.550 8.190 0.275 0.000 0.434 15 V N 6.862 126.832 119.914 0.092 0.000 2.409 15 V HA 0.583 5.021 4.120 0.180 -0.209 0.291 15 V C -0.770 175.352 176.094 0.047 0.000 1.020 15 V CA -1.931 60.422 62.300 0.088 0.000 0.848 15 V CB 1.774 33.591 31.823 -0.011 0.000 0.990 15 V HN 0.539 8.755 8.190 0.044 0.000 0.430 16 I N 6.094 126.697 120.570 0.055 0.000 2.325 16 I HA 0.075 4.258 4.170 0.021 0.000 0.291 16 I C -0.265 175.858 176.117 0.011 0.000 1.019 16 I CA -0.311 61.004 61.300 0.025 0.000 1.302 16 I CB -0.215 37.794 38.000 0.015 0.000 1.401 16 I HN 0.505 8.764 8.210 0.083 0.000 0.485 17 G N 7.748 116.548 108.800 -0.001 0.000 2.756 17 G HA2 -0.275 3.797 3.960 -0.016 0.000 0.678 17 G HA3 -0.275 3.850 3.960 -0.016 -0.174 0.678 17 G C -1.508 173.374 174.900 -0.030 0.000 1.349 17 G CA -0.061 45.030 45.100 -0.015 0.000 0.847 17 G HN 0.583 8.875 8.290 0.004 0.000 0.548 18 T N -4.223 110.304 114.554 -0.045 0.000 3.541 18 T HA 0.265 4.568 4.350 -0.078 0.000 0.309 18 T C -0.745 173.881 174.700 -0.123 0.000 0.973 18 T CA -1.691 60.366 62.100 -0.072 0.000 0.993 18 T CB 1.142 69.980 68.868 -0.050 0.000 1.206 18 T HN -0.140 8.154 8.240 -0.042 -0.080 0.489 19 G N 0.859 109.589 108.800 -0.117 0.000 2.504 19 G HA2 -0.006 3.944 3.960 -0.280 0.000 0.257 19 G HA3 -0.006 3.902 3.960 -0.087 0.000 0.257 19 G C -0.410 174.339 174.900 -0.251 0.000 1.451 19 G CA -1.005 43.984 45.100 -0.185 0.000 1.059 19 G HN -0.650 7.595 8.290 -0.075 0.000 0.550 20 Y N 0.102 120.331 120.300 -0.118 0.000 2.114 20 Y HA -0.412 3.999 4.550 -0.233 0.000 0.284 20 Y C 2.395 178.174 175.900 -0.201 0.000 1.143 20 Y CA 4.215 62.208 58.100 -0.177 0.000 1.135 20 Y CB -0.385 38.007 38.460 -0.114 0.000 0.980 20 Y HN 0.233 8.544 8.280 0.051 0.000 0.499 21 G N -3.575 105.243 108.800 0.029 0.000 2.418 21 G HA2 -0.339 3.590 3.960 -0.052 0.000 0.217 21 G HA3 -0.339 3.748 3.960 0.006 -0.124 0.217 21 G C 0.498 175.350 174.900 -0.080 0.000 1.158 21 G CA 2.146 47.228 45.100 -0.029 0.000 0.771 21 G HN 0.237 8.582 8.290 0.092 0.000 0.545 22 A N 1.399 124.176 122.820 -0.072 0.000 1.877 22 A HA -0.321 3.959 4.320 -0.067 0.000 0.216 22 A C 1.581 179.076 177.584 -0.149 0.000 1.186 22 A CA 2.703 54.687 52.037 -0.088 0.000 0.620 22 A CB -0.738 18.224 19.000 -0.064 0.000 0.822 22 A HN -0.167 7.952 8.150 -0.052 0.000 0.443 23 A N -1.274 121.434 122.820 -0.188 0.000 1.898 23 A HA -0.272 3.971 4.320 -0.130 0.000 0.216 23 A C 1.850 179.297 177.584 -0.229 0.000 1.181 23 A CA 2.683 54.606 52.037 -0.191 0.000 0.620 23 A CB -0.498 18.371 19.000 -0.219 0.000 0.819 23 A HN -0.109 7.923 8.150 -0.197 0.000 0.442 24 V N -1.613 118.045 119.914 -0.427 0.000 2.287 24 V HA -0.512 3.356 4.120 -0.420 0.000 0.248 24 V C 2.014 177.992 176.094 -0.194 0.000 1.053 24 V CA 3.917 65.975 62.300 -0.402 0.000 1.027 24 V CB -0.920 30.645 31.823 -0.431 0.000 0.646 24 V HN -0.372 7.547 8.190 -0.451 0.000 0.447 25 S N 0.346 115.909 115.700 -0.228 0.000 2.359 25 S HA -0.433 3.855 4.470 -0.303 0.000 0.224 25 S C 1.887 176.280 174.600 -0.345 0.000 1.035 25 S CA 4.091 62.099 58.200 -0.320 0.000 1.018 25 S CB -0.384 62.584 63.200 -0.387 0.000 0.876 25 S HN -0.606 7.571 8.310 -0.222 0.000 0.448 26 A N 1.286 123.950 122.820 -0.261 0.000 1.933 26 A HA -0.252 3.909 4.320 -0.265 0.000 0.218 26 A C 1.587 179.091 177.584 -0.133 0.000 1.175 26 A CA 2.869 54.782 52.037 -0.208 0.000 0.628 26 A CB -0.503 18.413 19.000 -0.140 0.000 0.814 26 A HN -0.170 7.844 8.150 -0.227 0.000 0.444 27 L N -0.768 120.414 121.223 -0.068 0.000 1.989 27 L HA -0.358 3.971 4.340 -0.019 0.000 0.211 27 L C 1.760 178.604 176.870 -0.045 0.000 1.071 27 L CA 3.121 57.954 54.840 -0.011 0.000 0.749 27 L CB -0.408 41.719 42.059 0.113 0.000 0.890 27 L HN -0.381 7.813 8.230 -0.060 0.000 0.431 28 R N -2.397 118.063 120.500 -0.067 0.000 2.092 28 R HA -0.210 4.103 4.340 -0.045 0.000 0.231 28 R C 3.003 179.230 176.300 -0.122 0.000 1.119 28 R CA 1.115 57.169 56.100 -0.077 0.000 0.970 28 R CB -0.841 29.415 30.300 -0.075 0.000 0.864 28 R HN -0.555 7.670 8.270 -0.075 0.000 0.440 29 L N -1.114 119.994 121.223 -0.190 0.000 2.012 29 L HA -0.363 3.861 4.340 -0.193 0.000 0.210 29 L C 1.966 178.766 176.870 -0.118 0.000 1.073 29 L CA 3.270 57.991 54.840 -0.197 0.000 0.748 29 L CB -0.672 41.214 42.059 -0.289 0.000 0.891 29 L HN 0.153 8.245 8.230 -0.230 0.000 0.431 30 G N -2.704 106.036 108.800 -0.100 0.000 2.418 30 G HA2 -0.343 3.582 3.960 -0.059 0.000 0.217 30 G HA3 -0.343 3.581 3.960 -0.060 0.000 0.217 30 G C 1.903 176.773 174.900 -0.049 0.000 1.158 30 G CA 1.725 46.786 45.100 -0.065 0.000 0.771 30 G HN -0.088 8.135 8.290 -0.113 0.000 0.545 31 E N 2.695 122.865 120.200 -0.049 0.000 2.204 31 E HA -0.277 4.054 4.350 -0.032 0.000 0.195 31 E C 1.425 178.003 176.600 -0.036 0.000 0.990 31 E CA 2.057 58.434 56.400 -0.037 0.000 0.821 31 E CB -0.051 29.630 29.700 -0.032 0.000 0.750 31 E HN -0.174 8.153 8.360 -0.055 0.000 0.477 32 A N -3.403 119.388 122.820 -0.048 0.000 2.238 32 A HA 0.057 4.356 4.320 -0.035 0.000 0.208 32 A C 0.090 177.656 177.584 -0.030 0.000 1.177 32 A CA 0.016 52.027 52.037 -0.044 0.000 0.804 32 A CB -0.012 18.948 19.000 -0.067 0.000 0.823 32 A HN -0.394 7.591 8.150 -0.062 0.127 0.482 33 G N -2.126 106.658 108.800 -0.026 0.000 2.136 33 G HA2 -0.373 3.580 3.960 -0.011 0.000 0.242 33 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.242 33 G C -0.571 174.329 174.900 0.000 0.000 0.989 33 G CA -0.056 45.038 45.100 -0.010 0.000 0.682 33 G HN -0.458 7.617 8.290 -0.033 0.195 0.522 34 V N 2.413 122.319 119.914 -0.013 0.000 2.385 34 V HA -0.091 4.057 4.120 0.047 0.000 0.269 34 V C -0.916 175.179 176.094 0.002 0.000 1.043 34 V CA -0.603 61.705 62.300 0.012 0.000 0.906 34 V CB 0.377 32.193 31.823 -0.011 0.000 0.995 34 V HN -0.395 7.734 8.190 -0.035 0.040 0.467 35 Q N 9.742 129.551 119.800 0.015 0.000 2.255 35 Q HA -0.015 4.502 4.340 -0.020 -0.189 0.280 35 Q C -0.763 175.224 176.000 -0.022 0.000 1.068 35 Q CA 0.361 56.157 55.803 -0.011 0.000 0.911 35 Q CB 0.274 29.003 28.738 -0.015 0.000 1.157 35 Q HN 0.686 8.977 8.270 0.035 0.000 0.380 36 T N 8.800 123.331 114.554 -0.039 0.000 2.881 36 T HA 0.587 5.147 4.350 -0.022 -0.224 0.290 36 T C -2.274 172.394 174.700 -0.053 0.000 1.000 36 T CA -0.753 61.322 62.100 -0.042 0.000 0.978 36 T CB 2.615 71.440 68.868 -0.072 0.000 0.997 36 T HN 0.507 8.721 8.240 -0.043 0.000 0.443 37 L N 7.522 128.716 121.223 -0.048 0.000 2.305 37 L HA 0.659 5.264 4.340 -0.065 -0.304 0.284 37 L C -2.384 174.459 176.870 -0.045 0.000 1.013 37 L CA -1.549 53.256 54.840 -0.057 0.000 0.819 37 L CB 2.954 44.972 42.059 -0.067 0.000 1.227 37 L HN 0.603 8.812 8.230 -0.035 0.000 0.417 38 M N 6.035 125.601 119.600 -0.056 0.000 2.209 38 M HA 0.612 5.305 4.480 -0.030 -0.231 0.355 38 M C -1.174 175.094 176.300 -0.052 0.000 1.171 38 M CA -0.657 54.616 55.300 -0.045 0.000 1.069 38 M CB 1.827 34.397 32.600 -0.050 0.000 1.622 38 M HN 0.770 9.021 8.290 -0.064 0.000 0.459 39 L N 2.565 123.773 121.223 -0.026 0.000 2.294 39 L HA 0.613 5.075 4.340 -0.045 -0.149 0.283 39 L C -1.533 175.350 176.870 0.021 0.000 1.015 39 L CA -1.165 53.670 54.840 -0.008 0.000 0.831 39 L CB 1.112 43.186 42.059 0.025 0.000 1.217 39 L HN 0.531 8.754 8.230 -0.012 0.000 0.420 40 E N 4.357 124.578 120.200 0.035 0.000 2.176 40 E HA 0.454 4.820 4.350 0.025 0.000 0.267 40 E C -0.321 176.333 176.600 0.091 0.000 0.893 40 E CA -1.679 54.747 56.400 0.043 0.000 0.761 40 E CB 2.912 32.630 29.700 0.030 0.000 1.133 40 E HN 0.240 8.618 8.360 0.030 0.000 0.409 41 M N 4.879 124.521 119.600 0.072 0.000 2.319 41 M HA 0.042 4.704 4.480 0.164 -0.083 0.265 41 M C 0.347 176.784 176.300 0.227 0.000 1.068 41 M CA 2.299 57.678 55.300 0.132 0.000 1.118 41 M CB 0.563 33.210 32.600 0.078 0.000 1.395 41 M HN 0.527 8.835 8.290 0.029 0.000 0.435 42 G N -2.018 106.867 108.800 0.141 0.000 2.510 42 G HA2 0.104 4.379 3.960 0.525 0.000 0.280 42 G HA3 0.104 4.281 3.960 0.235 -0.076 0.280 42 G C -2.045 172.957 174.900 0.170 0.000 1.386 42 G CA -1.768 43.496 45.100 0.274 0.000 1.047 42 G HN -0.313 8.350 8.290 0.056 -0.340 0.527 43 Q N -2.498 117.353 119.800 0.086 0.000 2.221 43 Q HA 0.088 4.343 4.340 -0.142 0.000 0.242 43 Q C -1.076 174.819 176.000 -0.175 0.000 0.940 43 Q CA -1.079 54.594 55.803 -0.216 0.000 0.896 43 Q CB 2.265 30.563 28.738 -0.735 0.000 1.226 43 Q HN 0.345 8.744 8.270 0.215 0.000 0.463 44 L N 1.343 122.461 121.223 -0.175 0.000 2.369 44 L HA 0.061 4.420 4.340 0.031 0.000 0.279 44 L C -1.019 175.737 176.870 -0.190 0.000 1.108 44 L CA 0.087 54.877 54.840 -0.084 0.000 0.852 44 L CB 0.170 42.192 42.059 -0.062 0.000 1.169 44 L HN 0.265 8.394 8.230 -0.168 0.000 0.452 45 W N 7.681 128.981 121.300 -0.001 0.000 2.247 45 W HA -0.009 4.600 4.660 -0.084 0.000 0.394 45 W C -1.388 175.028 176.519 -0.172 0.000 0.939 45 W CA -0.032 57.264 57.345 -0.082 0.000 1.548 45 W CB -0.973 28.484 29.460 -0.006 0.000 1.610 45 W HN 0.402 8.771 8.180 0.315 0.000 0.336 46 N N -1.134 117.533 118.700 -0.056 0.000 2.110 46 N HA 0.037 4.733 4.740 -0.074 0.000 0.230 46 N C -1.156 174.304 175.510 -0.084 0.000 1.353 46 N CA -0.064 52.946 53.050 -0.067 0.000 0.807 46 N CB 1.237 39.697 38.487 -0.044 0.000 1.244 46 N HN -0.456 7.849 8.380 -0.125 0.000 0.504 47 Q N 0.122 119.862 119.800 -0.100 0.000 2.337 47 Q HA 0.524 4.825 4.340 -0.066 0.000 0.266 47 Q C -2.317 173.646 176.000 -0.061 0.000 1.023 47 Q CA -3.156 52.600 55.803 -0.079 0.000 0.829 47 Q CB 0.721 29.406 28.738 -0.088 0.000 1.306 47 Q HN -0.245 7.953 8.270 -0.120 0.000 0.449 48 P HA -0.146 4.378 4.420 -0.033 -0.123 0.271 48 P C -0.883 176.407 177.300 -0.017 0.000 1.216 48 P CA -0.008 63.075 63.100 -0.028 0.000 0.771 48 P CB 0.408 32.096 31.700 -0.019 0.000 0.864 49 G N 3.242 112.042 108.800 -0.001 0.000 2.535 49 G HA2 0.225 4.174 3.960 -0.019 0.000 0.282 49 G HA3 0.225 4.194 3.960 0.014 0.000 0.282 49 G C -0.713 174.179 174.900 -0.012 0.000 1.350 49 G CA -1.592 43.506 45.100 -0.003 0.000 1.039 49 G HN 0.425 8.608 8.290 0.005 0.110 0.509 50 P HA -0.080 4.325 4.420 -0.025 0.000 0.226 50 P C -1.484 175.813 177.300 -0.005 0.000 1.146 50 P CA 1.577 64.664 63.100 -0.022 0.000 0.773 50 P CB 0.149 31.829 31.700 -0.034 0.000 0.772 51 D N -6.918 113.486 120.400 0.007 0.000 2.431 51 D HA -0.010 4.640 4.640 0.016 0.000 0.213 51 D C 0.781 177.096 176.300 0.025 0.000 1.130 51 D CA -1.028 52.983 54.000 0.019 0.000 0.834 51 D CB -0.482 40.337 40.800 0.032 0.000 0.985 51 D HN -0.633 7.685 8.370 0.007 0.055 0.504 52 G N -0.251 108.558 108.800 0.016 0.000 2.205 52 G HA2 -0.488 3.478 3.960 0.009 0.000 0.261 52 G HA3 -0.488 3.487 3.960 0.024 0.000 0.261 52 G C -0.572 174.339 174.900 0.019 0.000 0.980 52 G CA 0.510 45.620 45.100 0.017 0.000 0.632 52 G HN 0.000 8.032 8.290 0.009 0.264 0.533 53 N N -0.254 118.460 118.700 0.023 0.000 2.472 53 N HA 0.390 5.131 4.740 0.002 0.000 0.289 53 N C -0.074 175.422 175.510 -0.023 0.000 1.156 53 N CA -1.585 51.473 53.050 0.013 0.000 0.940 53 N CB 1.761 40.280 38.487 0.054 0.000 1.200 53 N HN -0.442 8.162 8.380 0.029 -0.208 0.511 54 I N 1.035 121.535 120.570 -0.115 0.000 2.202 54 I HA -0.170 4.281 4.170 -0.129 -0.358 0.242 54 I C 0.655 176.654 176.117 -0.197 0.000 1.091 54 I CA 3.585 64.737 61.300 -0.247 0.000 1.368 54 I CB 0.960 38.630 38.000 -0.550 0.000 1.058 54 I HN -0.065 8.152 8.210 -0.129 -0.085 0.410 55 F N -2.592 117.407 119.950 0.081 0.000 2.492 55 F HA 0.238 4.784 4.527 0.032 0.000 0.327 55 F C -0.596 175.233 175.800 0.049 0.000 1.079 55 F CA -1.019 56.998 58.000 0.028 0.000 0.967 55 F CB 1.998 40.963 39.000 -0.058 0.000 1.169 55 F HN -0.464 8.168 8.300 -0.007 -0.336 0.472 56 C N 0.712 120.165 119.300 0.255 0.000 2.605 56 C HA 0.122 4.675 4.460 0.155 0.000 0.404 56 C C 0.048 175.192 174.990 0.256 0.000 1.284 56 C CA -1.735 57.393 59.018 0.184 0.000 2.199 56 C CB 0.488 28.278 27.740 0.082 0.000 2.647 56 C HN 0.362 8.741 8.230 0.247 0.000 0.604 57 G N 1.033 109.954 108.800 0.203 0.000 2.588 57 G HA2 0.363 4.423 3.960 0.167 0.000 0.281 57 G HA3 0.363 4.442 3.960 0.139 -0.035 0.281 57 G C -0.820 174.241 174.900 0.269 0.000 1.236 57 G CA -1.436 43.779 45.100 0.191 0.000 0.969 57 G HN -0.125 8.665 8.290 0.162 -0.402 0.504 58 M N -1.558 118.130 119.600 0.147 0.000 2.419 58 M HA -0.142 4.536 4.480 0.331 0.000 0.264 58 M C 0.401 176.796 176.300 0.158 0.000 1.082 58 M CA 3.111 58.499 55.300 0.147 0.000 1.119 58 M CB 0.359 32.929 32.600 -0.051 0.000 1.398 58 M HN 0.173 8.507 8.290 0.073 0.000 0.453 59 L N -4.718 116.573 121.223 0.113 0.000 2.567 59 L HA 0.080 4.471 4.340 0.086 0.000 0.225 59 L C -0.197 176.724 176.870 0.085 0.000 1.119 59 L CA 0.134 55.026 54.840 0.088 0.000 0.871 59 L CB 0.059 42.157 42.059 0.065 0.000 1.036 59 L HN -0.120 8.141 8.230 0.103 0.031 0.459 60 N N -3.606 115.154 118.700 0.101 0.000 2.642 60 N HA 0.234 5.007 4.740 0.054 0.000 0.308 60 N C -2.484 173.062 175.510 0.060 0.000 1.914 60 N CA -2.870 50.222 53.050 0.070 0.000 0.893 60 N CB 0.111 38.634 38.487 0.060 0.000 1.322 60 N HN -0.730 7.575 8.380 0.129 0.153 0.490 61 P HA -0.079 4.279 4.420 -0.103 0.000 0.269 61 P C -1.234 176.020 177.300 -0.077 0.000 1.209 61 P CA 0.373 63.438 63.100 -0.057 0.000 0.776 61 P CB 0.538 32.198 31.700 -0.066 0.000 0.876 62 D N 0.640 120.965 120.400 -0.125 0.000 2.958 62 D HA 0.073 4.660 4.640 -0.089 0.000 0.306 62 D C 0.433 176.655 176.300 -0.130 0.000 1.226 62 D CA -1.407 52.530 54.000 -0.105 0.000 1.032 62 D CB 0.917 41.668 40.800 -0.082 0.000 1.400 62 D HN -0.460 7.806 8.370 -0.174 0.000 0.587 63 K N -2.869 117.443 120.400 -0.147 0.000 2.280 63 K HA -0.283 3.982 4.320 -0.091 0.000 0.202 63 K C 2.211 178.805 176.600 -0.010 0.000 1.047 63 K CA 2.808 59.010 56.287 -0.141 0.000 0.942 63 K CB -0.440 31.890 32.500 -0.284 0.000 0.739 63 K HN 0.282 8.434 8.250 -0.164 0.000 0.457 64 R N -1.157 119.346 120.500 0.005 0.000 2.241 64 R HA -0.275 4.445 4.340 0.633 0.000 0.224 64 R C 1.960 178.350 176.300 0.149 0.000 1.101 64 R CA 2.683 58.962 56.100 0.299 0.000 0.995 64 R CB -0.237 30.254 30.300 0.318 0.000 0.870 64 R HN -0.355 8.072 8.270 -0.083 -0.207 0.463 65 S N -2.092 113.532 115.700 -0.126 0.000 2.489 65 S HA -0.128 4.073 4.470 -0.447 0.000 0.228 65 S C 0.058 174.584 174.600 -0.123 0.000 0.995 65 S CA 2.393 60.323 58.200 -0.449 0.000 0.934 65 S CB 0.434 62.956 63.200 -1.129 0.000 0.771 65 S HN -0.242 7.812 8.310 -0.149 0.167 0.522 66 S N 0.605 116.325 115.700 0.034 0.000 2.547 66 S HA 0.341 5.092 4.470 0.159 -0.185 0.281 66 S C -1.993 172.705 174.600 0.162 0.000 1.118 66 S CA -0.315 57.951 58.200 0.110 0.000 0.947 66 S CB 3.180 66.409 63.200 0.048 0.000 1.053 66 S HN -0.729 7.560 8.310 0.065 0.061 0.482 67 W N 7.295 128.621 121.300 0.042 0.000 2.507 67 W HA 0.023 4.751 4.660 -0.095 -0.125 0.334 67 W C -1.136 175.436 176.519 0.089 0.000 1.165 67 W CA -0.335 57.030 57.345 0.034 0.000 1.460 67 W CB 0.495 30.046 29.460 0.152 0.000 1.404 67 W HN 0.206 8.626 8.180 0.399 0.000 0.435 68 F N 4.927 124.725 119.950 -0.254 0.000 2.891 68 F HA -0.454 3.953 4.527 -0.201 0.000 0.272 68 F C -1.630 174.139 175.800 -0.051 0.000 1.004 68 F CA 0.995 58.852 58.000 -0.237 0.000 0.938 68 F CB -2.211 36.530 39.000 -0.431 0.000 0.939 68 F HN 0.338 8.043 8.300 -0.993 0.000 0.833 69 K N -1.869 118.560 120.400 0.047 0.000 2.350 69 K HA 0.263 4.634 4.320 0.085 0.000 0.241 69 K C -0.725 175.897 176.600 0.037 0.000 0.994 69 K CA -2.253 54.074 56.287 0.066 0.000 0.839 69 K CB 2.493 35.039 32.500 0.076 0.000 1.244 69 K HN -0.546 7.690 8.250 -0.023 0.000 0.443 70 N N -1.189 117.537 118.700 0.044 0.000 2.203 70 N HA 0.057 4.983 4.740 0.021 -0.174 0.207 70 N C -0.449 175.077 175.510 0.027 0.000 1.130 70 N CA -0.739 52.329 53.050 0.030 0.000 0.861 70 N CB 0.816 39.323 38.487 0.034 0.000 1.005 70 N HN 0.300 8.712 8.380 0.052 0.000 0.507 71 R N -0.763 119.758 120.500 0.036 0.000 2.604 71 R HA 0.392 4.905 4.340 0.026 -0.158 0.270 71 R C -1.920 174.408 176.300 0.047 0.000 1.052 71 R CA -0.835 55.289 56.100 0.040 0.000 0.902 71 R CB 2.887 33.220 30.300 0.055 0.000 1.233 71 R HN -0.823 7.419 8.270 0.043 0.054 0.455 72 T N 3.018 117.592 114.554 0.034 0.000 2.802 72 T HA -0.023 4.342 4.350 0.025 0.000 0.305 72 T C -0.141 174.624 174.700 0.108 0.000 1.053 72 T CA -0.018 62.106 62.100 0.039 0.000 1.058 72 T CB 1.212 70.077 68.868 -0.005 0.000 0.988 72 T HN 0.096 8.349 8.240 0.021 0.000 0.539 73 E N 0.218 120.515 120.200 0.162 0.000 2.288 73 E HA 0.232 4.722 4.350 0.232 0.000 0.268 73 E C -1.702 175.063 176.600 0.275 0.000 0.885 73 E CA -1.733 54.808 56.400 0.235 0.000 0.767 73 E CB 4.080 33.939 29.700 0.266 0.000 1.220 73 E HN 0.170 8.621 8.360 0.152 0.000 0.427 74 A N 2.547 125.536 122.820 0.281 0.000 2.407 74 A HA 0.091 4.541 4.320 0.217 0.000 0.248 74 A C -1.989 175.736 177.584 0.235 0.000 1.082 74 A CA -1.341 50.843 52.037 0.246 0.000 0.785 74 A CB -0.852 18.289 19.000 0.234 0.000 1.020 74 A HN 0.122 8.465 8.150 0.322 0.000 0.489 75 P HA -0.108 4.349 4.420 0.062 0.000 0.266 75 P C -0.499 176.862 177.300 0.103 0.000 1.195 75 P CA 0.064 63.209 63.100 0.075 0.000 0.768 75 P CB 0.424 32.113 31.700 -0.019 0.000 0.838 76 L N 2.963 124.221 121.223 0.058 0.000 2.540 76 L HA -0.440 3.985 4.340 0.142 0.000 0.276 76 L C 1.036 177.969 176.870 0.106 0.000 1.212 76 L CA 1.468 56.344 54.840 0.060 0.000 0.893 76 L CB -0.500 41.445 42.059 -0.189 0.000 1.138 76 L HN 0.396 8.638 8.230 0.019 0.000 0.491 77 G N 3.281 112.203 108.800 0.203 0.000 2.254 77 G HA2 -0.295 3.596 3.960 -0.115 0.000 0.225 77 G HA3 -0.295 3.711 3.960 0.076 0.000 0.225 77 G C -0.147 174.826 174.900 0.121 0.000 1.003 77 G CA 0.682 45.825 45.100 0.072 0.000 0.622 77 G HN 0.632 9.079 8.290 0.261 0.000 0.507 78 S N -0.921 114.893 115.700 0.191 0.000 2.629 78 S HA 0.209 4.999 4.470 0.534 0.000 0.236 78 S C 0.208 174.963 174.600 0.260 0.000 1.010 78 S CA 0.012 58.402 58.200 0.316 0.000 0.981 78 S CB 1.609 64.923 63.200 0.191 0.000 0.919 78 S HN -0.303 8.036 8.310 0.171 0.074 0.514 79 F N 5.015 124.986 119.950 0.036 0.000 2.115 79 F HA -0.412 4.128 4.527 0.021 0.000 0.300 79 F C 0.830 176.536 175.800 -0.157 0.000 1.092 79 F CA 4.406 62.390 58.000 -0.026 0.000 1.245 79 F CB 0.034 39.015 39.000 -0.032 0.000 0.995 79 F HN -0.006 8.477 8.300 0.304 0.000 0.481 80 L N -3.995 117.049 121.223 -0.298 0.000 2.265 80 L HA -0.367 3.671 4.340 -0.503 0.000 0.215 80 L C 1.325 177.675 176.870 -0.867 0.000 1.117 80 L CA 2.377 56.762 54.840 -0.758 0.000 0.782 80 L CB -0.678 40.559 42.059 -1.369 0.000 0.914 80 L HN -0.116 7.967 8.230 -0.217 0.017 0.441 81 W N -4.526 116.705 121.300 -0.115 0.000 2.871 81 W HA 0.084 4.685 4.660 -0.099 0.000 0.267 81 W C 1.009 177.454 176.519 -0.123 0.000 1.180 81 W CA 0.985 58.267 57.345 -0.106 0.000 1.463 81 W CB 1.387 30.799 29.460 -0.080 0.000 0.966 81 W HN -0.544 7.558 8.180 -0.068 0.037 0.605 82 L N -3.400 117.856 121.223 0.054 0.000 2.693 82 L HA 0.210 4.571 4.340 0.035 0.000 0.235 82 L C 1.066 177.871 176.870 -0.109 0.000 1.127 82 L CA 0.477 55.324 54.840 0.012 0.000 0.914 82 L CB 0.115 42.221 42.059 0.078 0.000 1.193 82 L HN -0.147 8.110 8.230 0.045 0.000 0.502 83 D N 1.699 121.884 120.400 -0.358 0.000 2.218 83 D HA -0.312 4.145 4.640 -0.306 0.000 0.204 83 D C 1.856 178.018 176.300 -0.230 0.000 0.976 83 D CA 3.306 57.032 54.000 -0.456 0.000 0.853 83 D CB 0.068 40.191 40.800 -1.128 0.000 0.939 83 D HN -0.473 7.618 8.370 -0.465 0.000 0.481 84 V N -1.224 118.585 119.914 -0.176 0.000 2.720 84 V HA -0.296 3.765 4.120 -0.097 0.000 0.256 84 V C 0.552 176.618 176.094 -0.045 0.000 1.082 84 V CA 2.364 64.608 62.300 -0.092 0.000 1.101 84 V CB 0.087 31.871 31.823 -0.065 0.000 0.693 84 V HN -0.148 7.897 8.190 -0.193 0.029 0.479 85 V N -4.893 115.004 119.914 -0.028 0.000 3.647 85 V HA 0.047 4.167 4.120 0.000 0.000 0.279 85 V C -0.209 175.889 176.094 0.007 0.000 1.314 85 V CA -0.740 61.561 62.300 0.002 0.000 1.125 85 V CB -0.956 30.883 31.823 0.026 0.000 0.907 85 V HN -0.694 7.436 8.190 -0.038 0.038 0.434 86 N N 1.707 120.405 118.700 -0.003 0.000 2.479 86 N HA 0.058 4.815 4.740 0.029 0.000 0.257 86 N C -0.486 175.031 175.510 0.011 0.000 1.232 86 N CA 1.028 54.088 53.050 0.017 0.000 0.920 86 N CB 0.597 39.105 38.487 0.035 0.000 1.105 86 N HN -0.565 7.628 8.380 -0.027 0.171 0.444 87 R N -1.147 119.360 120.500 0.012 0.000 2.707 87 R HA 0.179 4.523 4.340 0.007 0.000 0.272 87 R C -1.335 174.969 176.300 0.006 0.000 1.011 87 R CA -2.271 53.832 56.100 0.005 0.000 0.893 87 R CB 3.979 34.275 30.300 -0.007 0.000 1.233 87 R HN 0.175 8.455 8.270 0.015 0.000 0.464 88 N N 0.963 119.666 118.700 0.005 0.000 2.454 88 N HA 0.062 4.959 4.740 0.011 -0.150 0.254 88 N C 0.443 175.946 175.510 -0.011 0.000 1.228 88 N CA 0.653 53.705 53.050 0.004 0.000 0.900 88 N CB 0.254 38.744 38.487 0.005 0.000 1.089 88 N HN 0.224 8.608 8.380 0.006 0.000 0.449 89 I N -4.129 116.433 120.570 -0.013 0.000 2.994 89 I HA 0.350 4.494 4.170 -0.043 0.000 0.306 89 I C -1.538 174.564 176.117 -0.025 0.000 1.195 89 I CA -2.016 59.263 61.300 -0.034 0.000 1.001 89 I CB 3.861 41.832 38.000 -0.048 0.000 1.244 89 I HN 0.050 8.150 8.210 -0.003 0.108 0.437 90 D N 2.534 122.911 120.400 -0.040 0.000 2.389 90 D HA 0.113 4.751 4.640 -0.003 0.000 0.247 90 D C -1.599 174.692 176.300 -0.015 0.000 1.128 90 D CA -1.465 52.524 54.000 -0.019 0.000 0.884 90 D CB -0.507 40.279 40.800 -0.024 0.000 1.194 90 D HN 0.071 8.405 8.370 -0.060 0.000 0.441 91 P HA -0.091 4.435 4.420 -0.075 -0.151 0.264 91 P C -1.966 175.244 177.300 -0.149 0.000 1.193 91 P CA 0.201 63.292 63.100 -0.015 0.000 0.763 91 P CB 0.513 32.312 31.700 0.164 0.000 0.810 92 Y N 3.608 123.403 120.300 -0.841 0.000 2.609 92 Y HA 0.335 4.616 4.550 -0.710 -0.158 0.336 92 Y C -1.895 173.045 175.900 -1.599 0.000 1.129 92 Y CA -1.283 56.270 58.100 -0.912 0.000 1.040 92 Y CB 4.520 42.745 38.460 -0.391 0.000 1.310 92 Y HN -0.216 7.615 8.280 -0.748 0.000 0.460 93 A N 3.788 125.562 122.820 -1.743 0.000 3.029 93 A HA 0.135 3.536 4.320 -1.531 0.000 0.251 93 A C -0.793 176.612 177.584 -0.299 0.000 1.749 93 A CA -0.758 50.599 52.037 -1.134 0.000 1.386 93 A CB -2.061 16.578 19.000 -0.600 0.000 1.043 93 A HN -0.023 7.066 8.150 -1.770 0.000 0.638 94 G N -0.552 108.275 108.800 0.045 0.000 2.588 94 G HA2 0.184 4.674 3.960 0.883 0.000 0.278 94 G HA3 0.184 4.580 3.960 0.434 -0.175 0.278 94 G C -0.526 174.767 174.900 0.654 0.000 1.307 94 G CA -0.921 44.516 45.100 0.561 0.000 1.016 94 G HN -0.465 7.602 8.290 -0.241 0.078 0.503 95 V N -1.428 118.703 119.914 0.361 0.000 2.992 95 V HA 0.129 4.615 4.120 0.324 -0.171 0.250 95 V C -0.841 175.328 176.094 0.124 0.000 1.090 95 V CA 0.315 62.686 62.300 0.119 0.000 1.101 95 V CB 1.421 32.945 31.823 -0.497 0.000 0.743 95 V HN -0.153 8.182 8.190 0.241 0.000 0.468 96 L N -0.922 120.414 121.223 0.188 0.000 2.325 96 L HA 0.466 5.014 4.340 0.134 -0.128 0.281 96 L C -2.470 174.545 176.870 0.242 0.000 1.004 96 L CA -1.532 53.425 54.840 0.195 0.000 0.823 96 L CB 2.571 44.791 42.059 0.269 0.000 1.236 96 L HN -0.945 7.412 8.230 0.213 0.000 0.415 97 D N 6.832 127.336 120.400 0.174 0.000 2.414 97 D HA 0.347 5.139 4.640 0.253 0.000 0.232 97 D C -1.833 174.488 176.300 0.035 0.000 1.070 97 D CA -1.617 52.474 54.000 0.152 0.000 0.839 97 D CB 2.470 43.276 40.800 0.010 0.000 1.079 97 D HN 0.526 8.970 8.370 0.123 0.000 0.521 98 R N 6.643 127.116 120.500 -0.046 0.000 2.220 98 R HA 0.010 4.049 4.340 -0.690 -0.112 0.340 98 R C -1.393 174.775 176.300 -0.219 0.000 1.076 98 R CA -0.010 55.858 56.100 -0.386 0.000 0.920 98 R CB 0.244 30.297 30.300 -0.412 0.000 1.062 98 R HN 0.500 8.802 8.270 0.054 0.000 0.469 99 V N 8.837 128.612 119.914 -0.232 0.000 2.348 99 V HA 0.125 4.128 4.120 -0.196 0.000 0.270 99 V C -1.735 174.147 176.094 -0.353 0.000 1.037 99 V CA -1.381 60.773 62.300 -0.243 0.000 0.872 99 V CB 0.321 32.023 31.823 -0.202 0.000 1.002 99 V HN 0.670 8.707 8.190 -0.255 0.000 0.464 100 N N 7.734 126.233 118.700 -0.336 0.000 2.426 100 N HA 0.164 4.802 4.740 -0.169 0.000 0.257 100 N C -0.835 174.452 175.510 -0.372 0.000 1.002 100 N CA -0.622 52.279 53.050 -0.249 0.000 0.942 100 N CB 1.017 39.436 38.487 -0.112 0.000 1.112 100 N HN 0.375 8.588 8.380 -0.278 0.000 0.499 101 Y N 4.299 124.588 120.300 -0.019 0.000 2.565 101 Y HA 0.070 4.607 4.550 -0.021 0.000 0.325 101 Y C 1.201 177.101 175.900 0.000 0.000 1.221 101 Y CA -0.716 57.367 58.100 -0.028 0.000 1.316 101 Y CB 1.726 40.131 38.460 -0.091 0.000 1.404 101 Y HN 0.079 8.350 8.280 -0.016 0.000 0.527 102 D N 0.010 120.522 120.400 0.186 0.000 2.160 102 D HA -0.319 4.373 4.640 0.087 0.000 0.189 102 D C 0.662 177.031 176.300 0.116 0.000 1.003 102 D CA 2.899 56.966 54.000 0.112 0.000 0.846 102 D CB 0.492 41.342 40.800 0.083 0.000 0.949 102 D HN 0.578 9.077 8.370 0.215 0.000 0.446 103 Q N -4.628 115.267 119.800 0.158 0.000 2.106 103 Q HA 0.214 4.643 4.340 0.147 0.000 0.273 103 Q C -1.809 174.350 176.000 0.264 0.000 0.853 103 Q CA -1.128 54.786 55.803 0.184 0.000 1.118 103 Q CB 0.643 29.475 28.738 0.157 0.000 1.240 103 Q HN 0.278 8.654 8.270 0.177 0.000 0.445 104 M N -0.747 118.986 119.600 0.220 0.000 2.373 104 M HA 0.213 4.954 4.480 0.191 -0.146 0.290 104 M C -2.614 173.792 176.300 0.177 0.000 1.143 104 M CA -0.124 55.288 55.300 0.187 0.000 0.949 104 M CB 3.886 36.531 32.600 0.074 0.000 1.756 104 M HN -0.768 7.642 8.290 0.201 0.000 0.494 105 S N 6.545 122.350 115.700 0.176 0.000 2.530 105 S HA 0.658 5.339 4.470 0.033 -0.191 0.322 105 S C -1.317 173.397 174.600 0.190 0.000 1.085 105 S CA -0.764 57.505 58.200 0.114 0.000 1.096 105 S CB 1.296 64.560 63.200 0.106 0.000 0.988 105 S HN 0.280 8.712 8.310 0.204 0.000 0.466 106 V N 5.663 125.653 119.914 0.127 0.000 2.398 106 V HA 0.434 5.149 4.120 0.403 -0.353 0.286 106 V C -1.080 175.110 176.094 0.161 0.000 1.026 106 V CA -1.230 61.232 62.300 0.271 0.000 0.868 106 V CB 1.651 33.669 31.823 0.326 0.000 0.982 106 V HN 0.558 8.775 8.190 0.046 0.000 0.443 107 Y N 7.308 127.786 120.300 0.297 0.000 2.330 107 Y HA 0.575 5.433 4.550 0.185 -0.197 0.336 107 Y C -0.304 175.690 175.900 0.158 0.000 1.036 107 Y CA -0.982 57.254 58.100 0.226 0.000 1.125 107 Y CB 1.238 39.851 38.460 0.254 0.000 1.194 107 Y HN 0.363 9.104 8.280 0.767 0.000 0.469 108 V N -1.911 118.120 119.914 0.195 0.000 3.007 108 V HA 0.509 4.716 4.120 0.145 0.000 0.311 108 V C -2.097 174.029 176.094 0.053 0.000 1.120 108 V CA -3.212 59.158 62.300 0.117 0.000 0.980 108 V CB 3.774 35.642 31.823 0.075 0.000 1.033 108 V HN 0.200 8.485 8.190 0.157 0.000 0.429 109 G N 0.800 109.615 108.800 0.025 0.000 2.476 109 G HA2 0.274 4.396 3.960 -0.006 0.000 0.269 109 G HA3 0.274 4.377 3.960 -0.022 -0.157 0.269 109 G C -0.722 174.142 174.900 -0.061 0.000 1.195 109 G CA -0.622 44.470 45.100 -0.014 0.000 0.843 109 G HN 0.224 8.542 8.290 0.046 0.000 0.545 110 R N 2.208 122.684 120.500 -0.041 0.000 2.468 110 R HA 0.295 4.524 4.340 -0.186 0.000 0.302 110 R C -1.278 175.135 176.300 0.188 0.000 1.041 110 R CA -1.655 54.384 56.100 -0.102 0.000 0.899 110 R CB 1.315 31.378 30.300 -0.395 0.000 1.167 110 R HN 0.040 8.319 8.270 0.015 0.000 0.483 111 G N 0.686 109.592 108.800 0.177 0.000 2.337 111 G HA2 -0.005 4.341 3.960 0.355 0.000 0.298 111 G HA3 -0.005 4.322 3.960 0.611 0.000 0.298 111 G C -2.469 172.549 174.900 0.197 0.000 1.335 111 G CA 0.216 45.532 45.100 0.360 0.000 0.875 111 G HN -0.342 8.108 8.290 0.062 -0.123 0.579 112 V N 1.945 121.989 119.914 0.216 0.000 2.409 112 V HA -0.308 3.843 4.120 0.051 0.000 0.270 112 V C 0.535 176.671 176.094 0.070 0.000 1.019 112 V CA 0.752 63.112 62.300 0.101 0.000 1.066 112 V CB -2.053 29.818 31.823 0.079 0.000 1.021 112 V HN 0.031 8.395 8.190 0.290 0.000 0.476 113 G N 5.310 114.096 108.800 -0.024 0.000 2.255 113 G HA2 -0.212 3.714 3.960 -0.180 0.000 0.196 113 G HA3 -0.212 3.693 3.960 -0.092 0.000 0.196 113 G C 0.146 174.951 174.900 -0.159 0.000 0.998 113 G CA -0.420 44.610 45.100 -0.117 0.000 0.656 113 G HN 0.435 8.704 8.290 -0.036 0.000 0.490 114 G N 1.600 110.355 108.800 -0.074 0.000 2.614 114 G HA2 -0.453 3.484 3.960 -0.038 0.000 0.303 114 G HA3 -0.453 3.462 3.960 -0.074 0.000 0.303 114 G C -0.011 174.854 174.900 -0.058 0.000 1.270 114 G CA 0.304 45.366 45.100 -0.063 0.000 0.988 114 G HN -0.030 8.142 8.290 -0.025 0.103 0.551 115 G N 0.315 109.115 108.800 -0.001 0.000 2.498 115 G HA2 -0.234 3.739 3.960 0.022 0.000 0.219 115 G HA3 -0.234 3.805 3.960 0.131 0.000 0.219 115 G C 1.057 175.973 174.900 0.027 0.000 1.119 115 G CA 1.590 46.721 45.100 0.053 0.000 0.766 115 G HN 0.277 8.581 8.290 0.024 0.000 0.552 116 S N 1.232 116.884 115.700 -0.080 0.000 2.442 116 S HA -0.247 4.189 4.470 -0.056 0.000 0.236 116 S C 1.129 175.636 174.600 -0.154 0.000 1.007 116 S CA 2.871 60.974 58.200 -0.162 0.000 0.965 116 S CB -0.648 62.283 63.200 -0.450 0.000 0.773 116 S HN -0.512 7.655 8.310 -0.171 0.040 0.504 117 L N -0.903 120.223 121.223 -0.162 0.000 2.109 117 L HA -0.121 4.075 4.340 -0.240 0.000 0.207 117 L C 1.614 178.292 176.870 -0.320 0.000 1.086 117 L CA 2.484 57.176 54.840 -0.246 0.000 0.760 117 L CB 0.143 42.051 42.059 -0.251 0.000 0.910 117 L HN -0.546 7.558 8.230 -0.141 0.042 0.437 118 V N -7.330 112.455 119.914 -0.215 0.000 3.643 118 V HA 0.395 4.471 4.120 -0.290 -0.130 0.280 118 V C -0.385 175.622 176.094 -0.144 0.000 1.351 118 V CA -1.571 60.601 62.300 -0.212 0.000 1.073 118 V CB 0.230 31.959 31.823 -0.156 0.000 0.863 118 V HN -0.639 7.359 8.190 -0.150 0.102 0.436 119 N N 2.263 120.929 118.700 -0.057 0.000 2.413 119 N HA 0.056 4.789 4.740 -0.013 0.000 0.266 119 N C 0.975 176.518 175.510 0.054 0.000 1.238 119 N CA -0.113 52.956 53.050 0.031 0.000 0.972 119 N CB 0.314 38.898 38.487 0.162 0.000 1.210 119 N HN -0.643 7.705 8.380 -0.054 0.000 0.547 120 G N -1.925 106.946 108.800 0.118 0.000 2.920 120 G HA2 -0.150 3.852 3.960 0.070 0.000 0.208 120 G HA3 -0.150 3.888 3.960 0.131 0.000 0.208 120 G C 0.162 175.167 174.900 0.176 0.000 1.159 120 G CA -0.431 44.742 45.100 0.121 0.000 0.784 120 G HN 0.440 8.819 8.290 0.149 0.000 0.535 121 G N -1.399 107.565 108.800 0.274 0.000 2.184 121 G HA2 -0.371 3.905 3.960 0.422 0.000 0.264 121 G HA3 -0.371 3.911 3.960 0.246 -0.175 0.264 121 G C -0.735 174.386 174.900 0.369 0.000 0.975 121 G CA 0.291 45.603 45.100 0.354 0.000 0.642 121 G HN -0.352 8.286 8.290 0.299 -0.168 0.536 122 M N 0.406 120.118 119.600 0.187 0.000 2.184 122 M HA -0.030 4.647 4.480 0.053 -0.164 0.351 122 M C -0.783 175.272 176.300 -0.410 0.000 1.395 122 M CA 0.211 55.496 55.300 -0.024 0.000 1.117 122 M CB 0.434 33.019 32.600 -0.025 0.000 1.708 122 M HN -0.420 7.938 8.290 0.215 0.061 0.468 123 A N 7.467 130.111 122.820 -0.293 0.000 2.316 123 A HA 0.313 4.072 4.320 -0.935 0.000 0.324 123 A C -1.850 175.572 177.584 -0.271 0.000 1.375 123 A CA -1.056 50.723 52.037 -0.430 0.000 0.882 123 A CB 0.851 19.815 19.000 -0.059 0.000 1.152 123 A HN 0.394 8.374 8.150 -0.109 0.105 0.512 124 V N 4.128 123.826 119.914 -0.359 0.000 2.483 124 V HA 0.075 4.090 4.120 -0.176 0.000 0.297 124 V C -0.778 175.169 176.094 -0.245 0.000 1.027 124 V CA -1.829 60.313 62.300 -0.263 0.000 0.855 124 V CB 2.763 34.378 31.823 -0.346 0.000 0.995 124 V HN 0.089 7.975 8.190 -0.507 0.000 0.424 125 E N 7.266 127.339 120.200 -0.211 0.000 2.354 125 E HA 0.141 4.251 4.350 -0.401 0.000 0.269 125 E C -1.547 174.901 176.600 -0.253 0.000 1.036 125 E CA -1.865 54.326 56.400 -0.349 0.000 0.876 125 E CB -0.257 29.171 29.700 -0.454 0.000 1.009 125 E HN 0.139 8.404 8.360 -0.158 0.000 0.416 126 P HA 0.014 4.380 4.420 -0.091 0.000 0.274 126 P C -0.871 176.455 177.300 0.043 0.000 1.237 126 P CA -0.580 62.496 63.100 -0.039 0.000 0.793 126 P CB 0.846 32.634 31.700 0.145 0.000 0.977 127 K N 1.987 122.429 120.400 0.069 0.000 2.451 127 K HA -0.182 4.164 4.320 0.044 0.000 0.280 127 K C 1.109 177.803 176.600 0.156 0.000 1.020 127 K CA 0.578 56.922 56.287 0.095 0.000 1.008 127 K CB 0.693 33.262 32.500 0.116 0.000 0.917 127 K HN 0.432 8.691 8.250 0.014 0.000 0.478 128 R N 8.058 128.526 120.500 -0.053 0.000 2.091 128 R HA -0.388 3.913 4.340 -0.065 0.000 0.238 128 R C 1.773 178.121 176.300 0.081 0.000 1.136 128 R CA 3.831 59.813 56.100 -0.197 0.000 0.959 128 R CB -0.481 29.363 30.300 -0.760 0.000 0.856 128 R HN 0.721 8.907 8.270 -0.139 0.000 0.437 129 S N -2.448 113.303 115.700 0.085 0.000 2.399 129 S HA -0.214 4.472 4.470 0.107 -0.152 0.231 129 S C 1.641 176.389 174.600 0.246 0.000 1.022 129 S CA 3.111 61.396 58.200 0.143 0.000 0.983 129 S CB -0.728 62.547 63.200 0.123 0.000 0.803 129 S HN 0.261 8.598 8.310 0.045 0.000 0.480 130 Y N 3.923 124.328 120.300 0.175 0.000 2.243 130 Y HA -0.200 4.470 4.550 0.200 0.000 0.293 130 Y C 1.154 177.163 175.900 0.182 0.000 1.124 130 Y CA 2.244 60.466 58.100 0.203 0.000 1.159 130 Y CB 0.037 38.640 38.460 0.237 0.000 1.008 130 Y HN -0.773 7.633 8.280 0.385 0.105 0.527 131 F N 1.314 121.320 119.950 0.093 0.000 2.091 131 F HA -0.567 3.952 4.527 -0.015 0.000 0.299 131 F C 1.349 177.155 175.800 0.010 0.000 1.103 131 F CA 4.546 62.584 58.000 0.064 0.000 1.228 131 F CB 0.104 39.272 39.000 0.281 0.000 0.984 131 F HN 0.151 8.720 8.300 0.449 0.000 0.477 132 E N -2.464 117.869 120.200 0.222 0.000 2.150 132 E HA -0.440 4.005 4.350 0.158 0.000 0.193 132 E C 1.936 178.520 176.600 -0.026 0.000 0.985 132 E CA 2.775 59.248 56.400 0.122 0.000 0.814 132 E CB -0.385 29.404 29.700 0.148 0.000 0.752 132 E HN -0.232 8.297 8.360 0.298 0.010 0.466 133 E N -0.271 119.891 120.200 -0.063 0.000 2.047 133 E HA -0.220 4.102 4.350 -0.046 0.000 0.191 133 E C 2.136 178.607 176.600 -0.215 0.000 0.987 133 E CA 2.587 58.925 56.400 -0.103 0.000 0.799 133 E CB 0.154 29.829 29.700 -0.041 0.000 0.752 133 E HN -0.808 7.449 8.360 -0.024 0.088 0.449 134 I N -6.801 113.528 120.570 -0.402 0.000 2.617 134 I HA -0.119 3.869 4.170 -0.303 0.000 0.256 134 I C 0.166 176.079 176.117 -0.340 0.000 1.167 134 I CA 2.215 63.274 61.300 -0.401 0.000 1.469 134 I CB 1.094 38.772 38.000 -0.537 0.000 1.098 134 I HN -0.296 7.624 8.210 -0.483 0.000 0.436 135 L N -0.672 120.305 121.223 -0.411 0.000 2.678 135 L HA 0.613 4.792 4.340 -0.267 0.000 0.250 135 L C -1.518 175.230 176.870 -0.203 0.000 1.455 135 L CA -2.811 51.809 54.840 -0.365 0.000 0.823 135 L CB 0.811 42.504 42.059 -0.610 0.000 1.107 135 L HN -0.485 7.479 8.230 -0.444 0.000 0.514 136 P HA -0.026 4.477 4.420 -0.019 -0.094 0.226 136 P C 0.226 177.516 177.300 -0.017 0.000 1.153 136 P CA 1.211 64.286 63.100 -0.043 0.000 0.777 136 P CB 0.265 31.945 31.700 -0.033 0.000 0.794 137 R N -2.690 117.787 120.500 -0.039 0.000 2.299 137 R HA 0.053 4.390 4.340 -0.004 0.000 0.197 137 R C -0.079 176.210 176.300 -0.018 0.000 0.971 137 R CA -0.052 56.034 56.100 -0.023 0.000 1.030 137 R CB -0.237 30.040 30.300 -0.039 0.000 0.932 137 R HN 0.046 8.231 8.270 -0.067 0.045 0.477 138 V N 0.267 120.179 119.914 -0.003 0.000 2.481 138 V HA -0.036 4.070 4.120 -0.024 0.000 0.286 138 V C -1.558 174.622 176.094 0.143 0.000 1.042 138 V CA -0.656 61.669 62.300 0.043 0.000 0.928 138 V CB 1.550 33.430 31.823 0.094 0.000 0.986 138 V HN -0.710 7.414 8.190 -0.014 0.058 0.462 139 D N 4.971 125.449 120.400 0.130 0.000 2.346 139 D HA -0.035 4.692 4.640 0.144 0.000 0.260 139 D C 0.520 176.945 176.300 0.208 0.000 1.252 139 D CA 0.353 54.447 54.000 0.156 0.000 0.895 139 D CB 0.589 41.473 40.800 0.139 0.000 1.097 139 D HN 0.469 8.895 8.370 0.094 0.000 0.489 140 S N 7.587 123.434 115.700 0.244 0.000 2.453 140 S HA -0.242 4.403 4.470 0.293 0.000 0.231 140 S C 1.648 176.406 174.600 0.262 0.000 1.005 140 S CA 2.422 60.798 58.200 0.293 0.000 0.949 140 S CB 0.020 63.422 63.200 0.337 0.000 0.774 140 S HN 0.240 8.681 8.310 0.219 0.000 0.510 141 S N 4.306 120.115 115.700 0.182 0.000 2.368 141 S HA -0.317 4.255 4.470 0.169 0.000 0.224 141 S C 1.913 176.595 174.600 0.137 0.000 1.029 141 S CA 3.913 62.204 58.200 0.152 0.000 0.988 141 S CB -0.129 63.131 63.200 0.100 0.000 0.838 141 S HN -0.247 8.381 8.310 0.161 -0.221 0.462 142 E N 1.563 121.843 120.200 0.133 0.000 2.110 142 E HA -0.349 4.018 4.350 0.029 0.000 0.193 142 E C 2.583 179.249 176.600 0.111 0.000 0.988 142 E CA 2.853 59.320 56.400 0.111 0.000 0.804 142 E CB -0.209 29.634 29.700 0.240 0.000 0.745 142 E HN -0.418 8.508 8.360 0.147 -0.479 0.458 143 M N -0.720 118.958 119.600 0.130 0.000 2.067 143 M HA -0.315 4.172 4.480 0.012 0.000 0.260 143 M C 2.226 178.475 176.300 -0.085 0.000 1.069 143 M CA 2.538 57.796 55.300 -0.070 0.000 1.117 143 M CB -0.407 31.961 32.600 -0.386 0.000 1.334 143 M HN -0.755 7.610 8.290 0.146 0.012 0.407 144 Y N -2.562 117.810 120.300 0.119 0.000 2.395 144 Y HA -0.335 4.398 4.550 0.306 0.000 0.293 144 Y C 2.299 178.240 175.900 0.068 0.000 1.123 144 Y CA 3.259 61.450 58.100 0.151 0.000 1.227 144 Y CB -0.268 38.227 38.460 0.058 0.000 1.012 144 Y HN -0.228 8.246 8.280 0.323 0.000 0.552 145 D N -3.100 117.370 120.400 0.116 0.000 2.213 145 D HA -0.014 4.660 4.640 0.057 0.000 0.205 145 D C 0.331 176.592 176.300 -0.067 0.000 0.961 145 D CA 2.044 56.062 54.000 0.030 0.000 0.853 145 D CB 0.302 41.109 40.800 0.011 0.000 0.967 145 D HN -0.020 8.423 8.370 0.121 0.000 0.496 146 R N -2.675 117.710 120.500 -0.192 0.000 2.342 146 R HA 0.077 4.255 4.340 -0.269 0.000 0.179 146 R C 1.425 177.482 176.300 -0.405 0.000 0.989 146 R CA 1.630 57.488 56.100 -0.404 0.000 1.125 146 R CB 1.826 31.671 30.300 -0.758 0.000 1.211 146 R HN -0.381 7.787 8.270 -0.170 0.000 0.568 147 Y N -0.753 119.479 120.300 -0.113 0.000 2.286 147 Y HA -0.178 4.301 4.550 -0.118 0.000 0.293 147 Y C 2.559 178.318 175.900 -0.234 0.000 1.124 147 Y CA 2.975 60.958 58.100 -0.197 0.000 1.178 147 Y CB 0.146 38.427 38.460 -0.299 0.000 1.010 147 Y HN -0.554 7.505 8.280 -0.368 0.000 0.536 148 F N -1.872 118.032 119.950 -0.077 0.000 2.102 148 F HA -0.118 4.352 4.527 -0.096 0.000 0.298 148 F C -0.472 175.301 175.800 -0.045 0.000 1.105 148 F CA 4.864 62.788 58.000 -0.127 0.000 1.239 148 F CB -3.251 35.558 39.000 -0.318 0.000 0.991 148 F HN 0.369 8.579 8.300 -0.150 0.000 0.474 149 P HA -0.286 4.193 4.420 0.099 0.000 0.215 149 P C 1.311 178.653 177.300 0.069 0.000 1.153 149 P CA 3.027 66.175 63.100 0.081 0.000 0.853 149 P CB -0.249 31.474 31.700 0.037 0.000 0.788 150 R N -1.282 119.249 120.500 0.052 0.000 2.073 150 R HA -0.346 4.019 4.340 0.042 0.000 0.234 150 R C 2.036 178.407 176.300 0.119 0.000 1.134 150 R CA 3.364 59.504 56.100 0.067 0.000 0.952 150 R CB -0.211 30.139 30.300 0.083 0.000 0.850 150 R HN -0.488 7.798 8.270 0.027 0.000 0.433 151 A N -1.790 121.125 122.820 0.158 0.000 1.883 151 A HA -0.263 4.249 4.320 0.319 0.000 0.217 151 A C 1.990 179.698 177.584 0.206 0.000 1.186 151 A CA 2.861 55.035 52.037 0.228 0.000 0.624 151 A CB -0.715 18.401 19.000 0.194 0.000 0.822 151 A HN -0.038 8.192 8.150 0.132 0.000 0.444 152 N N -2.294 116.507 118.700 0.168 0.000 2.069 152 N HA -0.381 4.454 4.740 0.157 0.000 0.191 152 N C 2.074 177.645 175.510 0.103 0.000 1.031 152 N CA 3.276 56.411 53.050 0.142 0.000 0.852 152 N CB -0.016 38.547 38.487 0.127 0.000 1.018 152 N HN -0.198 8.281 8.380 0.165 0.000 0.423 153 S N 0.120 115.863 115.700 0.071 0.000 2.355 153 S HA -0.209 4.280 4.470 0.032 0.000 0.222 153 S C 2.321 176.909 174.600 -0.020 0.000 1.031 153 S CA 3.385 61.601 58.200 0.027 0.000 0.993 153 S CB -0.300 62.906 63.200 0.009 0.000 0.859 153 S HN -0.467 7.889 8.310 0.077 0.000 0.453 154 M N 2.253 121.820 119.600 -0.054 0.000 2.213 154 M HA -0.212 4.108 4.480 -0.268 0.000 0.263 154 M C 1.824 178.006 176.300 -0.196 0.000 1.062 154 M CA 1.992 57.140 55.300 -0.255 0.000 1.105 154 M CB -0.605 31.690 32.600 -0.508 0.000 1.385 154 M HN -0.389 7.899 8.290 -0.003 0.000 0.417 155 L N -6.100 115.149 121.223 0.045 0.000 2.376 155 L HA -0.130 4.302 4.340 0.154 0.000 0.219 155 L C -0.066 176.843 176.870 0.065 0.000 1.133 155 L CA 0.560 55.487 54.840 0.145 0.000 0.816 155 L CB -0.021 42.219 42.059 0.302 0.000 0.933 155 L HN -0.332 7.941 8.230 0.104 0.019 0.449 156 R N -6.404 114.111 120.500 0.025 0.000 3.418 156 R HA -0.385 3.956 4.340 0.002 0.000 0.274 156 R C -0.664 175.651 176.300 0.024 0.000 1.108 156 R CA 0.026 56.130 56.100 0.006 0.000 0.741 156 R CB -3.110 27.172 30.300 -0.030 0.000 1.223 156 R HN -0.705 7.408 8.270 0.017 0.166 0.434 157 V N -1.559 118.385 119.914 0.050 0.000 2.673 157 V HA -0.283 4.017 4.120 0.027 -0.163 0.303 157 V C 0.081 176.142 176.094 -0.055 0.000 1.046 157 V CA 1.181 63.489 62.300 0.014 0.000 1.126 157 V CB -0.671 31.171 31.823 0.031 0.000 0.934 157 V HN -0.763 7.469 8.190 0.070 0.000 0.487 158 N N 6.296 124.917 118.700 -0.131 0.000 2.902 158 N HA 0.264 4.933 4.740 -0.119 0.000 0.268 158 N C -2.423 172.924 175.510 -0.272 0.000 1.450 158 N CA -0.701 52.280 53.050 -0.116 0.000 0.819 158 N CB 3.337 41.875 38.487 0.086 0.000 1.540 158 N HN 0.549 8.870 8.380 -0.099 0.000 0.545 159 H N -2.478 116.738 119.070 0.244 0.000 2.600 159 H HA 0.410 5.014 4.556 0.079 0.000 0.357 159 H C -1.085 174.128 175.328 -0.192 0.000 1.106 159 H CA -1.029 55.050 56.048 0.051 0.000 1.193 159 H CB 2.960 32.693 29.762 -0.049 0.000 1.594 159 H HN 0.187 8.603 8.280 0.227 0.000 0.526 160 I N 3.014 123.161 120.570 -0.705 0.000 2.692 160 I HA -0.125 3.497 4.170 -0.913 0.000 0.284 160 I C -1.024 174.829 176.117 -0.440 0.000 1.159 160 I CA 0.097 60.823 61.300 -0.957 0.000 1.423 160 I CB 1.294 38.510 38.000 -1.306 0.000 1.380 160 I HN 0.050 7.827 8.210 -0.722 0.000 0.580 161 D N 6.196 126.492 120.400 -0.174 0.000 2.371 161 D HA 0.030 4.604 4.640 -0.110 0.000 0.256 161 D C 1.086 177.358 176.300 -0.046 0.000 1.193 161 D CA 0.373 54.337 54.000 -0.061 0.000 0.881 161 D CB 1.368 42.209 40.800 0.068 0.000 1.143 161 D HN 0.244 8.553 8.370 -0.102 0.000 0.473 162 T N 4.933 119.393 114.554 -0.157 0.000 2.821 162 T HA -0.396 3.791 4.350 -0.272 0.000 0.267 162 T C 1.592 176.366 174.700 0.124 0.000 1.046 162 T CA 3.165 65.191 62.100 -0.124 0.000 1.139 162 T CB 0.183 68.972 68.868 -0.132 0.000 0.871 162 T HN 0.274 8.414 8.240 -0.168 0.000 0.454 163 K N 2.470 122.941 120.400 0.118 0.000 2.062 163 K HA -0.239 4.153 4.320 0.120 0.000 0.205 163 K C 1.325 178.034 176.600 0.182 0.000 1.051 163 K CA 2.791 59.161 56.287 0.137 0.000 0.941 163 K CB -0.334 32.234 32.500 0.114 0.000 0.719 163 K HN -0.694 7.707 8.250 0.083 -0.101 0.440 164 W N 0.904 122.246 121.300 0.070 0.000 2.335 164 W HA -0.379 4.334 4.660 0.089 0.000 0.311 164 W C 1.276 177.879 176.519 0.140 0.000 1.213 164 W CA 4.282 61.687 57.345 0.099 0.000 1.274 164 W CB -0.044 29.474 29.460 0.097 0.000 1.148 164 W HN -0.261 8.453 8.180 0.361 -0.317 0.498 165 F N -0.753 119.204 119.950 0.011 0.000 2.120 165 F HA -0.628 3.724 4.527 -0.291 0.000 0.300 165 F C 1.435 177.156 175.800 -0.132 0.000 1.095 165 F CA 4.064 61.972 58.000 -0.155 0.000 1.249 165 F CB 0.143 39.090 39.000 -0.088 0.000 0.995 165 F HN -0.160 8.398 8.300 0.430 0.000 0.480 166 E N -2.807 117.377 120.200 -0.028 0.000 2.150 166 E HA -0.319 3.908 4.350 -0.205 0.000 0.193 166 E C 1.295 177.770 176.600 -0.207 0.000 0.985 166 E CA 2.480 58.817 56.400 -0.106 0.000 0.814 166 E CB -0.388 29.360 29.700 0.080 0.000 0.752 166 E HN -0.471 7.900 8.360 0.173 0.094 0.466 167 D N -3.596 116.685 120.400 -0.198 0.000 2.301 167 D HA 0.117 4.681 4.640 -0.127 0.000 0.206 167 D C 0.371 176.520 176.300 -0.250 0.000 0.979 167 D CA 1.437 55.336 54.000 -0.170 0.000 0.874 167 D CB 1.000 41.752 40.800 -0.079 0.000 0.968 167 D HN -0.542 7.584 8.370 -0.184 0.134 0.510 168 T N 0.989 115.281 114.554 -0.435 0.000 2.897 168 T HA 0.116 4.310 4.350 -0.260 0.000 0.294 168 T C 1.413 175.944 174.700 -0.282 0.000 1.004 168 T CA -1.354 60.504 62.100 -0.402 0.000 1.106 168 T CB 1.175 69.543 68.868 -0.834 0.000 0.949 168 T HN -0.574 7.338 8.240 -0.546 0.000 0.520 169 E N 7.920 127.980 120.200 -0.233 0.000 2.204 169 E HA -0.211 3.987 4.350 -0.253 0.000 0.195 169 E C 1.432 177.836 176.600 -0.326 0.000 0.990 169 E CA 2.370 58.587 56.400 -0.305 0.000 0.821 169 E CB -0.849 28.629 29.700 -0.370 0.000 0.750 169 E HN 0.670 8.920 8.360 -0.183 0.000 0.477 170 W N -1.278 119.913 121.300 -0.182 0.000 2.611 170 W HA -0.103 4.686 4.660 -0.117 -0.199 0.251 170 W C 1.051 177.354 176.519 -0.360 0.000 1.265 170 W CA 1.744 58.959 57.345 -0.216 0.000 1.295 170 W CB 0.383 29.721 29.460 -0.203 0.000 1.129 170 W HN -0.618 7.469 8.180 -0.074 0.048 0.630 171 Y N -4.240 116.043 120.300 -0.028 0.000 2.682 171 Y HA 0.085 4.562 4.550 -0.122 0.000 0.251 171 Y C -0.027 175.598 175.900 -0.458 0.000 1.172 171 Y CA -0.220 57.713 58.100 -0.278 0.000 1.186 171 Y CB -0.005 38.141 38.460 -0.522 0.000 1.216 171 Y HN -0.481 7.673 8.280 -0.121 0.053 0.540 172 K N 3.095 123.390 120.400 -0.174 0.000 2.113 172 K HA -0.462 3.726 4.320 -0.219 0.000 0.208 172 K C 1.118 177.640 176.600 -0.130 0.000 1.047 172 K CA 4.292 60.477 56.287 -0.171 0.000 0.928 172 K CB -0.337 32.078 32.500 -0.140 0.000 0.716 172 K HN -0.648 7.410 8.250 -0.140 0.107 0.446 173 F N -5.243 114.651 119.950 -0.092 0.000 2.161 173 F HA -0.315 4.152 4.527 -0.101 0.000 0.300 173 F C 1.256 177.069 175.800 0.021 0.000 1.089 173 F CA 2.229 60.188 58.000 -0.069 0.000 1.282 173 F CB -1.489 37.454 39.000 -0.096 0.000 1.010 173 F HN -0.351 8.063 8.300 0.222 0.019 0.485 174 A N 0.813 123.064 122.820 -0.948 0.000 1.897 174 A HA -0.335 3.761 4.320 -0.373 0.000 0.215 174 A C 1.826 179.340 177.584 -0.116 0.000 1.181 174 A CA 2.731 54.467 52.037 -0.501 0.000 0.620 174 A CB -0.490 18.292 19.000 -0.364 0.000 0.821 174 A HN -0.535 6.714 8.150 -1.312 0.115 0.443 175 R N -2.086 118.326 120.500 -0.146 0.000 2.096 175 R HA -0.345 4.009 4.340 0.023 0.000 0.235 175 R C 2.443 178.734 176.300 -0.016 0.000 1.127 175 R CA 3.411 59.476 56.100 -0.059 0.000 0.968 175 R CB -0.208 30.006 30.300 -0.142 0.000 0.861 175 R HN -0.653 7.455 8.270 -0.270 0.000 0.440 176 V N -0.405 119.495 119.914 -0.023 0.000 2.295 176 V HA -0.332 3.806 4.120 0.031 0.000 0.246 176 V C 1.872 178.005 176.094 0.065 0.000 1.049 176 V CA 3.609 65.923 62.300 0.024 0.000 1.024 176 V CB -0.788 31.044 31.823 0.016 0.000 0.648 176 V HN 0.019 8.174 8.190 -0.059 0.000 0.447 177 S N -0.574 115.181 115.700 0.092 0.000 2.402 177 S HA -0.303 4.289 4.470 0.204 0.000 0.229 177 S C 1.678 176.361 174.600 0.139 0.000 1.021 177 S CA 4.030 62.340 58.200 0.183 0.000 0.974 177 S CB -0.111 63.275 63.200 0.310 0.000 0.800 177 S HN -0.691 7.657 8.310 0.065 0.000 0.484 178 R N 1.686 122.238 120.500 0.086 0.000 2.083 178 R HA -0.441 3.925 4.340 0.043 0.000 0.237 178 R C 1.935 178.261 176.300 0.044 0.000 1.137 178 R CA 3.717 59.846 56.100 0.048 0.000 0.951 178 R CB -0.169 30.148 30.300 0.028 0.000 0.851 178 R HN -0.230 8.083 8.270 0.072 0.000 0.434 179 E N -1.391 118.840 120.200 0.051 0.000 2.072 179 E HA -0.252 4.123 4.350 0.042 0.000 0.191 179 E C 2.947 179.584 176.600 0.062 0.000 0.985 179 E CA 2.398 58.830 56.400 0.053 0.000 0.801 179 E CB -0.899 28.838 29.700 0.062 0.000 0.750 179 E HN -0.409 7.983 8.360 0.053 0.000 0.452 180 Q N -1.300 118.544 119.800 0.075 0.000 2.084 180 Q HA -0.257 4.129 4.340 0.076 0.000 0.202 180 Q C 2.494 178.524 176.000 0.050 0.000 0.978 180 Q CA 2.590 58.437 55.803 0.073 0.000 0.844 180 Q CB -0.095 28.693 28.738 0.083 0.000 0.898 180 Q HN -0.345 7.974 8.270 0.081 0.000 0.426 181 A N -1.125 121.723 122.820 0.048 0.000 1.902 181 A HA -0.337 3.972 4.320 -0.019 0.000 0.217 181 A C 2.028 179.605 177.584 -0.012 0.000 1.181 181 A CA 2.700 54.739 52.037 0.002 0.000 0.623 181 A CB -0.747 18.254 19.000 0.001 0.000 0.818 181 A HN 0.205 8.397 8.150 0.071 0.000 0.443 182 G N -2.395 106.407 108.800 0.003 0.000 2.432 182 G HA2 -0.354 3.917 3.960 -0.018 0.000 0.219 182 G HA3 -0.354 3.608 3.960 0.003 0.000 0.219 182 G C 1.877 176.778 174.900 0.002 0.000 1.135 182 G CA 1.642 46.740 45.100 -0.004 0.000 0.767 182 G HN -0.170 8.115 8.290 0.016 0.014 0.550 183 K N 0.331 120.741 120.400 0.018 0.000 2.280 183 K HA -0.246 4.087 4.320 0.022 0.000 0.202 183 K C 0.173 176.777 176.600 0.008 0.000 1.047 183 K CA 1.879 58.180 56.287 0.023 0.000 0.942 183 K CB -0.114 32.414 32.500 0.048 0.000 0.739 183 K HN -0.612 7.640 8.250 0.027 0.014 0.457 184 A N -3.938 118.878 122.820 -0.008 0.000 2.307 184 A HA 0.061 4.370 4.320 -0.018 0.000 0.218 184 A C -0.763 176.797 177.584 -0.040 0.000 1.228 184 A CA -0.612 51.409 52.037 -0.027 0.000 0.857 184 A CB 0.520 19.492 19.000 -0.046 0.000 0.897 184 A HN -0.617 7.385 8.150 -0.009 0.143 0.495 185 G N -2.703 106.077 108.800 -0.033 0.000 2.182 185 G HA2 -0.343 3.597 3.960 -0.033 0.000 0.248 185 G HA3 -0.343 3.592 3.960 -0.040 0.000 0.248 185 G C -0.745 174.120 174.900 -0.058 0.000 1.042 185 G CA 0.265 45.341 45.100 -0.040 0.000 0.775 185 G HN -0.443 7.640 8.290 -0.024 0.192 0.501 186 L N -0.572 120.614 121.223 -0.061 0.000 2.341 186 L HA 0.286 4.574 4.340 -0.086 0.000 0.278 186 L C -0.792 176.039 176.870 -0.065 0.000 1.005 186 L CA -1.279 53.514 54.840 -0.079 0.000 0.818 186 L CB 1.524 43.520 42.059 -0.105 0.000 1.259 186 L HN -0.620 7.546 8.230 -0.051 0.033 0.418 187 G N 0.638 109.392 108.800 -0.076 0.000 2.535 187 G HA2 0.298 4.219 3.960 -0.065 0.000 0.303 187 G HA3 0.298 4.210 3.960 -0.080 0.000 0.303 187 G C -1.923 172.920 174.900 -0.094 0.000 1.237 187 G CA -1.027 44.026 45.100 -0.078 0.000 0.986 187 G HN 0.370 8.609 8.290 -0.085 0.000 0.494 188 T N -4.113 110.371 114.554 -0.116 0.000 2.930 188 T HA 0.861 5.251 4.350 -0.102 -0.101 0.290 188 T C -0.773 173.811 174.700 -0.193 0.000 1.052 188 T CA -2.387 59.628 62.100 -0.141 0.000 1.017 188 T CB 3.466 72.237 68.868 -0.162 0.000 1.137 188 T HN -0.261 7.906 8.240 -0.122 0.000 0.511 189 V N -2.871 116.945 119.914 -0.163 0.000 2.735 189 V HA 0.466 4.475 4.120 -0.185 0.000 0.310 189 V C -1.619 174.355 176.094 -0.201 0.000 1.061 189 V CA -2.570 59.648 62.300 -0.137 0.000 0.913 189 V CB 3.150 34.992 31.823 0.031 0.000 1.005 189 V HN 0.478 8.600 8.190 -0.114 0.000 0.428 190 F N 2.978 122.877 119.950 -0.085 0.000 2.506 190 F HA 0.135 4.703 4.527 -0.215 -0.170 0.351 190 F C 0.526 176.315 175.800 -0.018 0.000 1.136 190 F CA 0.703 58.620 58.000 -0.138 0.000 1.298 190 F CB 1.000 39.877 39.000 -0.204 0.000 1.145 190 F HN 0.087 8.313 8.300 -0.124 0.000 0.593 191 V N 3.926 123.958 119.914 0.197 0.000 2.357 191 V HA 0.413 4.610 4.120 0.128 0.000 0.284 191 V C -2.114 174.089 176.094 0.181 0.000 1.018 191 V CA -3.639 58.752 62.300 0.153 0.000 0.841 191 V CB 0.827 32.728 31.823 0.129 0.000 0.991 191 V HN 0.108 8.416 8.190 0.198 0.000 0.437 192 P HA 0.141 4.699 4.420 0.069 -0.096 0.271 192 P C -1.486 175.888 177.300 0.123 0.000 1.233 192 P CA -0.467 62.675 63.100 0.069 0.000 0.789 192 P CB 0.988 32.660 31.700 -0.046 0.000 0.951 193 N N -1.640 117.146 118.700 0.144 0.000 2.708 193 N HA 0.548 5.578 4.740 0.142 -0.205 0.257 193 N C -0.011 175.535 175.510 0.060 0.000 1.373 193 N CA -0.668 52.458 53.050 0.127 0.000 0.843 193 N CB 4.418 42.958 38.487 0.089 0.000 1.503 193 N HN -0.080 8.355 8.380 0.090 0.000 0.504 194 V N -3.531 116.453 119.914 0.117 0.000 3.608 194 V HA 0.308 4.448 4.120 0.033 0.000 0.269 194 V C -0.318 175.751 176.094 -0.042 0.000 1.245 194 V CA -0.606 61.729 62.300 0.059 0.000 1.138 194 V CB 0.580 32.472 31.823 0.116 0.000 0.841 194 V HN 0.209 8.517 8.190 0.197 0.000 0.451 195 Y N 3.783 123.956 120.300 -0.212 0.000 2.442 195 Y HA -0.246 4.336 4.550 -0.213 -0.160 0.330 195 Y C -0.790 174.853 175.900 -0.428 0.000 1.129 195 Y CA 0.764 58.681 58.100 -0.305 0.000 1.365 195 Y CB 0.568 38.831 38.460 -0.328 0.000 1.233 195 Y HN -0.020 8.672 8.280 0.031 -0.394 0.529 196 D N 7.552 127.754 120.400 -0.330 0.000 2.342 196 D HA -0.147 4.555 4.640 -0.095 -0.119 0.260 196 D C 0.437 176.769 176.300 0.054 0.000 1.278 196 D CA 0.311 54.230 54.000 -0.134 0.000 0.910 196 D CB 0.255 40.976 40.800 -0.133 0.000 1.079 196 D HN -0.085 7.920 8.370 -0.608 0.000 0.496 197 F N 5.961 126.005 119.950 0.157 0.000 2.407 197 F HA -0.295 4.348 4.527 0.193 0.000 0.299 197 F C 1.789 177.557 175.800 -0.054 0.000 1.097 197 F CA 2.917 60.981 58.000 0.107 0.000 1.422 197 F CB -0.066 38.979 39.000 0.075 0.000 1.067 197 F HN 0.286 8.994 8.300 0.138 -0.325 0.539 198 G N -0.383 108.492 108.800 0.125 0.000 2.421 198 G HA2 -0.425 3.488 3.960 -0.077 0.000 0.216 198 G HA3 -0.425 3.544 3.960 0.015 0.000 0.216 198 G C 0.530 175.407 174.900 -0.038 0.000 1.171 198 G CA 2.113 47.210 45.100 -0.005 0.000 0.775 198 G HN -0.205 8.394 8.290 0.155 -0.217 0.543 199 Y N 3.233 123.496 120.300 -0.063 0.000 2.165 199 Y HA -0.466 4.036 4.550 -0.080 0.000 0.286 199 Y C 1.503 177.378 175.900 -0.043 0.000 1.155 199 Y CA 3.959 62.020 58.100 -0.065 0.000 1.164 199 Y CB 0.253 38.657 38.460 -0.094 0.000 0.978 199 Y HN -0.232 8.773 8.280 0.175 -0.620 0.513 200 M N -0.547 119.159 119.600 0.177 0.000 2.149 200 M HA -0.498 4.300 4.480 0.159 -0.223 0.261 200 M C 2.048 178.173 176.300 -0.293 0.000 1.064 200 M CA 3.732 59.075 55.300 0.072 0.000 1.102 200 M CB -0.087 32.653 32.600 0.234 0.000 1.369 200 M HN -0.378 8.003 8.290 0.275 0.075 0.408 201 Q N -1.118 118.324 119.800 -0.597 0.000 2.084 201 Q HA -0.395 3.218 4.340 -1.211 0.000 0.202 201 Q C 2.474 178.265 176.000 -0.348 0.000 0.978 201 Q CA 3.562 58.869 55.803 -0.827 0.000 0.844 201 Q CB -0.201 27.952 28.738 -0.976 0.000 0.898 201 Q HN -0.357 7.619 8.270 -0.491 0.000 0.426 202 R N -1.592 118.715 120.500 -0.322 0.000 2.115 202 R HA -0.279 4.055 4.340 -0.201 -0.115 0.230 202 R C 2.608 178.733 176.300 -0.292 0.000 1.111 202 R CA 3.389 59.319 56.100 -0.284 0.000 0.976 202 R CB -0.150 29.953 30.300 -0.329 0.000 0.870 202 R HN -0.505 7.562 8.270 -0.338 0.000 0.445 203 E N 0.336 120.322 120.200 -0.356 0.000 2.058 203 E HA -0.321 3.850 4.350 -0.298 0.000 0.194 203 E C 1.890 178.387 176.600 -0.173 0.000 0.997 203 E CA 2.809 59.041 56.400 -0.281 0.000 0.801 203 E CB -0.174 29.383 29.700 -0.238 0.000 0.746 203 E HN -0.142 7.894 8.360 -0.402 0.082 0.450 204 A N -2.497 120.267 122.820 -0.094 0.000 1.969 204 A HA -0.133 4.205 4.320 0.030 0.000 0.218 204 A C 1.543 179.217 177.584 0.151 0.000 1.169 204 A CA 2.297 54.392 52.037 0.097 0.000 0.635 204 A CB -0.637 18.615 19.000 0.420 0.000 0.810 204 A HN -0.595 7.496 8.150 -0.099 0.000 0.445 205 A N -4.599 118.262 122.820 0.067 0.000 2.238 205 A HA 0.000 4.378 4.320 0.097 0.000 0.208 205 A C 0.341 177.931 177.584 0.009 0.000 1.177 205 A CA -0.263 51.806 52.037 0.052 0.000 0.804 205 A CB 0.063 19.074 19.000 0.019 0.000 0.823 205 A HN -0.652 7.386 8.150 0.012 0.118 0.482 206 G N -1.902 106.886 108.800 -0.020 0.000 2.160 206 G HA2 -0.317 3.619 3.960 -0.040 0.000 0.251 206 G HA3 -0.317 3.638 3.960 -0.008 0.000 0.251 206 G C 0.645 175.507 174.900 -0.063 0.000 1.008 206 G CA 1.072 46.152 45.100 -0.033 0.000 0.724 206 G HN -0.455 7.629 8.290 -0.030 0.188 0.514 207 E N -2.027 118.110 120.200 -0.105 0.000 2.364 207 E HA 0.132 4.433 4.350 -0.082 0.000 0.196 207 E C -0.142 176.364 176.600 -0.158 0.000 0.990 207 E CA 0.266 56.596 56.400 -0.116 0.000 0.886 207 E CB 1.228 30.860 29.700 -0.115 0.000 0.866 207 E HN -0.152 8.107 8.360 -0.125 0.026 0.493 208 V N -4.755 115.018 119.914 -0.235 0.000 3.114 208 V HA 0.494 4.500 4.120 -0.191 0.000 0.308 208 V C -2.807 173.138 176.094 -0.248 0.000 1.168 208 V CA -4.239 57.892 62.300 -0.283 0.000 1.015 208 V CB -0.141 31.343 31.823 -0.565 0.000 1.050 208 V HN -0.923 7.121 8.190 -0.244 0.000 0.433 209 P HA 0.012 4.350 4.420 -0.137 0.000 0.265 209 P C -1.055 176.176 177.300 -0.115 0.000 1.193 209 P CA 0.421 63.384 63.100 -0.228 0.000 0.765 209 P CB 0.400 31.783 31.700 -0.529 0.000 0.823 210 K N 3.759 124.148 120.400 -0.019 0.000 2.237 210 K HA -0.142 4.350 4.320 0.040 -0.149 0.270 210 K C -0.860 175.862 176.600 0.203 0.000 1.015 210 K CA 0.872 57.187 56.287 0.047 0.000 0.949 210 K CB 0.793 33.268 32.500 -0.043 0.000 0.976 210 K HN 0.095 8.329 8.250 -0.027 0.000 0.472 211 S N 3.399 119.239 115.700 0.233 0.000 4.403 211 S HA 0.106 4.792 4.470 0.214 -0.088 0.183 211 S C 1.146 175.816 174.600 0.117 0.000 1.070 211 S CA 1.333 59.683 58.200 0.250 0.000 1.145 211 S CB 0.905 64.323 63.200 0.363 0.000 1.585 211 S HN 0.645 9.467 8.310 0.203 -0.391 0.634 212 A N 4.244 127.126 122.820 0.105 0.000 1.940 212 A HA -0.092 4.284 4.320 -0.148 -0.144 0.219 212 A C 1.307 178.772 177.584 -0.198 0.000 1.176 212 A CA 2.815 54.752 52.037 -0.166 0.000 0.631 212 A CB -0.008 18.656 19.000 -0.559 0.000 0.814 212 A HN -0.084 8.260 8.150 0.323 0.000 0.446 213 L N -6.863 114.188 121.223 -0.287 0.000 2.653 213 L HA 0.018 3.943 4.340 -0.693 0.000 0.232 213 L C -1.389 175.288 176.870 -0.321 0.000 1.169 213 L CA -0.540 53.907 54.840 -0.654 0.000 0.951 213 L CB -0.900 40.416 42.059 -1.237 0.000 1.181 213 L HN -0.503 7.881 8.230 -0.192 -0.269 0.460 214 A N -2.607 120.160 122.820 -0.089 0.000 2.674 214 A HA 0.347 4.694 4.320 0.045 0.000 0.286 214 A C -1.021 176.587 177.584 0.039 0.000 0.980 214 A CA -1.222 50.825 52.037 0.017 0.000 1.028 214 A CB 1.002 20.029 19.000 0.044 0.000 1.199 214 A HN -0.410 7.490 8.150 -0.076 0.205 0.499 215 T N -4.720 109.848 114.554 0.023 0.000 3.803 215 T HA -0.556 3.783 4.350 -0.018 0.000 0.376 215 T C -1.225 173.472 174.700 -0.005 0.000 0.761 215 T CA 0.555 62.659 62.100 0.007 0.000 1.962 215 T CB -2.063 66.819 68.868 0.024 0.000 1.780 215 T HN -0.176 8.072 8.240 0.014 0.000 0.771 216 E N -0.176 120.014 120.200 -0.016 0.000 2.210 216 E HA 0.395 4.722 4.350 -0.039 0.000 0.266 216 E C -2.478 174.072 176.600 -0.083 0.000 0.883 216 E CA -0.869 55.513 56.400 -0.029 0.000 0.761 216 E CB 4.262 33.982 29.700 0.032 0.000 1.156 216 E HN -0.640 7.710 8.360 -0.018 0.000 0.412 217 V N 4.532 124.349 119.914 -0.160 0.000 4.496 217 V HA 0.187 4.450 4.120 -0.141 -0.228 0.146 217 V C -0.352 175.580 176.094 -0.271 0.000 1.365 217 V CA 1.791 63.985 62.300 -0.175 0.000 1.001 217 V CB 2.254 33.999 31.823 -0.130 0.000 1.083 217 V HN 0.161 8.228 8.190 -0.205 0.000 0.624 218 I N 0.530 120.874 120.570 -0.377 0.000 2.928 218 I HA -0.183 4.024 4.170 -0.317 -0.228 0.266 218 I C -1.629 174.252 176.117 -0.394 0.000 1.234 218 I CA 1.430 62.474 61.300 -0.427 0.000 1.483 218 I CB 0.282 37.980 38.000 -0.505 0.000 1.097 218 I HN -0.770 7.195 8.210 -0.409 0.000 0.455 219 Y N -3.955 116.228 120.300 -0.195 0.000 2.658 219 Y HA 0.062 4.470 4.550 -0.237 0.000 0.276 219 Y C -0.946 174.638 175.900 -0.526 0.000 1.167 219 Y CA -2.684 55.270 58.100 -0.243 0.000 1.230 219 Y CB -0.782 37.618 38.460 -0.099 0.000 1.144 219 Y HN -0.530 7.438 8.280 -0.469 0.030 0.529 220 G N -0.339 108.091 108.800 -0.617 0.000 2.629 220 G HA2 -0.321 3.200 3.960 -1.141 0.000 0.686 220 G HA3 -0.321 2.125 3.960 -2.522 0.000 0.686 220 G C -1.986 172.519 174.900 -0.658 0.000 1.232 220 G CA -0.405 43.935 45.100 -1.266 0.000 0.803 220 G HN -0.670 7.175 8.290 -0.455 0.172 0.638 221 N N 0.916 119.314 118.700 -0.503 0.000 2.407 221 N HA 0.155 5.003 4.740 -0.023 -0.122 0.277 221 N C -0.803 174.758 175.510 0.086 0.000 0.995 221 N CA -0.562 52.437 53.050 -0.084 0.000 0.903 221 N CB 2.209 40.705 38.487 0.016 0.000 1.218 221 N HN 0.222 8.204 8.380 -0.663 0.000 0.487 222 N N 2.102 120.862 118.700 0.100 0.000 2.453 222 N HA -0.126 4.638 4.740 0.039 0.000 0.183 222 N C -0.610 174.500 175.510 -0.667 0.000 1.041 222 N CA 1.891 54.848 53.050 -0.156 0.000 0.900 222 N CB 0.911 39.271 38.487 -0.211 0.000 0.961 222 N HN 0.174 8.959 8.380 0.109 -0.340 0.443 223 H N -1.242 117.824 119.070 -0.007 0.000 3.008 223 H HA 0.224 4.620 4.556 -0.266 0.000 0.354 223 H C 0.108 175.156 175.328 -0.466 0.000 1.252 223 H CA -0.313 55.594 56.048 -0.235 0.000 1.117 223 H CB 3.625 33.290 29.762 -0.162 0.000 1.857 223 H HN -1.019 7.191 8.280 -0.049 0.041 0.547 224 G N 1.448 109.764 108.800 -0.806 0.000 2.550 224 G HA2 -0.479 2.697 3.960 -1.306 0.000 0.233 224 G HA3 -0.479 2.466 3.960 -1.691 0.000 0.233 224 G C -0.947 173.198 174.900 -1.257 0.000 1.170 224 G CA 1.059 45.369 45.100 -1.317 0.000 0.693 224 G HN 0.423 8.232 8.290 -0.800 0.000 0.512 225 K N 3.602 123.522 120.400 -0.801 0.000 2.276 225 K HA 0.044 4.106 4.320 -0.430 0.000 0.285 225 K C -0.655 175.789 176.600 -0.259 0.000 1.062 225 K CA -0.829 55.222 56.287 -0.393 0.000 0.918 225 K CB 0.245 32.702 32.500 -0.072 0.000 1.055 225 K HN -0.582 7.230 8.250 -0.585 0.087 0.477 226 Q N 8.064 127.742 119.800 -0.203 0.000 2.844 226 Q HA 0.183 4.431 4.340 -0.154 0.000 0.235 226 Q C -0.902 175.033 176.000 -0.109 0.000 1.336 226 Q CA -1.687 54.030 55.803 -0.144 0.000 1.026 226 Q CB -1.783 26.883 28.738 -0.120 0.000 1.513 226 Q HN -0.150 8.002 8.270 -0.197 0.000 0.577 227 S N 0.499 116.129 115.700 -0.117 0.000 2.606 227 S HA -0.158 4.213 4.470 -0.165 0.000 0.257 227 S C 1.026 175.546 174.600 -0.133 0.000 1.327 227 S CA -0.271 57.847 58.200 -0.136 0.000 0.984 227 S CB 0.859 63.989 63.200 -0.117 0.000 0.941 227 S HN -0.279 7.901 8.310 -0.119 0.059 0.576 228 L N -0.145 120.957 121.223 -0.201 0.000 2.275 228 L HA -0.089 4.186 4.340 -0.109 0.000 0.215 228 L C 1.723 178.542 176.870 -0.086 0.000 1.119 228 L CA 2.529 57.267 54.840 -0.170 0.000 0.790 228 L CB -0.467 41.393 42.059 -0.332 0.000 0.919 228 L HN 0.117 8.190 8.230 -0.261 0.000 0.443 229 D N -2.476 117.883 120.400 -0.069 0.000 2.218 229 D HA -0.257 4.365 4.640 -0.030 0.000 0.204 229 D C 1.210 177.489 176.300 -0.034 0.000 0.976 229 D CA 2.378 56.360 54.000 -0.030 0.000 0.853 229 D CB -1.168 39.638 40.800 0.011 0.000 0.939 229 D HN 0.505 8.806 8.370 -0.077 0.023 0.481 230 K N -3.242 117.128 120.400 -0.049 0.000 2.314 230 K HA -0.002 4.287 4.320 -0.052 0.000 0.198 230 K C 0.060 176.620 176.600 -0.067 0.000 1.045 230 K CA 1.892 58.144 56.287 -0.059 0.000 0.988 230 K CB 0.787 33.240 32.500 -0.077 0.000 0.783 230 K HN -0.348 7.846 8.250 -0.057 0.022 0.484 231 T N -5.686 108.830 114.554 -0.063 0.000 3.274 231 T HA -0.055 4.226 4.350 -0.115 0.000 0.186 231 T C 0.762 175.409 174.700 -0.087 0.000 0.799 231 T CA 1.008 63.053 62.100 -0.093 0.000 1.611 231 T CB 0.934 69.752 68.868 -0.083 0.000 2.155 231 T HN -1.052 7.038 8.240 -0.053 0.118 0.427 232 Y N 1.845 122.095 120.300 -0.083 0.000 2.165 232 Y HA -0.234 4.279 4.550 -0.062 0.000 0.286 232 Y C 2.042 177.891 175.900 -0.085 0.000 1.155 232 Y CA 3.716 61.769 58.100 -0.079 0.000 1.164 232 Y CB -0.112 38.295 38.460 -0.088 0.000 0.978 232 Y HN -0.086 8.284 8.280 0.150 0.000 0.513 233 L N -2.592 118.669 121.223 0.064 0.000 2.109 233 L HA -0.388 3.957 4.340 0.007 0.000 0.207 233 L C 2.147 179.009 176.870 -0.013 0.000 1.086 233 L CA 2.924 57.767 54.840 0.005 0.000 0.760 233 L CB -0.736 41.308 42.059 -0.025 0.000 0.910 233 L HN 0.175 8.437 8.230 0.055 0.000 0.437 234 A N -0.490 122.316 122.820 -0.024 0.000 1.908 234 A HA -0.366 3.935 4.320 -0.031 0.000 0.218 234 A C 1.929 179.490 177.584 -0.038 0.000 1.181 234 A CA 3.001 55.017 52.037 -0.034 0.000 0.627 234 A CB -1.201 17.773 19.000 -0.043 0.000 0.818 234 A HN -0.335 7.801 8.150 -0.025 0.000 0.445 235 A N -2.605 120.187 122.820 -0.045 0.000 1.902 235 A HA -0.307 3.981 4.320 -0.053 0.000 0.217 235 A C 1.803 179.368 177.584 -0.032 0.000 1.181 235 A CA 2.687 54.694 52.037 -0.051 0.000 0.623 235 A CB -0.623 18.327 19.000 -0.083 0.000 0.818 235 A HN -0.297 7.824 8.150 -0.049 0.000 0.443 236 A N -1.098 121.713 122.820 -0.016 0.000 1.883 236 A HA -0.366 3.939 4.320 -0.024 0.000 0.217 236 A C 1.991 179.556 177.584 -0.032 0.000 1.186 236 A CA 2.795 54.819 52.037 -0.022 0.000 0.624 236 A CB -0.522 18.466 19.000 -0.020 0.000 0.822 236 A HN -0.325 7.748 8.150 -0.004 0.075 0.444 237 L N -2.749 118.455 121.223 -0.031 0.000 2.079 237 L HA -0.259 4.061 4.340 -0.035 0.000 0.210 237 L C 3.286 180.138 176.870 -0.031 0.000 1.081 237 L CA 2.211 57.031 54.840 -0.032 0.000 0.752 237 L CB -0.415 41.625 42.059 -0.031 0.000 0.896 237 L HN 0.008 8.221 8.230 -0.029 0.000 0.433 238 G N -2.785 105.996 108.800 -0.031 0.000 2.498 238 G HA2 -0.216 3.727 3.960 -0.029 0.000 0.219 238 G HA3 -0.216 3.725 3.960 -0.033 0.000 0.219 238 G C 0.205 175.088 174.900 -0.029 0.000 1.119 238 G CA 1.568 46.649 45.100 -0.031 0.000 0.766 238 G HN -0.116 8.046 8.290 -0.032 0.109 0.552 239 T N -2.017 112.519 114.554 -0.030 0.000 2.995 239 T HA -0.165 4.169 4.350 -0.027 0.000 0.269 239 T C 1.280 175.965 174.700 -0.025 0.000 1.091 239 T CA 0.470 62.553 62.100 -0.029 0.000 1.128 239 T CB 0.455 69.304 68.868 -0.032 0.000 0.891 239 T HN -0.694 7.365 8.240 -0.032 0.162 0.492 240 G N 1.118 109.902 108.800 -0.026 0.000 2.179 240 G HA2 -0.309 3.638 3.960 -0.022 0.000 0.260 240 G HA3 -0.309 3.639 3.960 -0.019 0.000 0.260 240 G C 0.402 175.288 174.900 -0.023 0.000 0.977 240 G CA 0.758 45.844 45.100 -0.022 0.000 0.641 240 G HN -0.335 7.893 8.290 -0.027 0.046 0.533 241 K N -2.446 117.937 120.400 -0.028 0.000 2.413 241 K HA 0.288 4.744 4.320 -0.024 -0.151 0.204 241 K C -1.940 174.637 176.600 -0.038 0.000 1.041 241 K CA -0.417 55.852 56.287 -0.029 0.000 1.082 241 K CB 1.806 34.289 32.500 -0.028 0.000 0.871 241 K HN -0.369 7.800 8.250 -0.031 0.063 0.535 242 V N -0.706 119.183 119.914 -0.041 0.000 2.588 242 V HA 0.894 5.202 4.120 -0.053 -0.219 0.304 242 V C -0.435 175.631 176.094 -0.047 0.000 1.042 242 V CA -2.025 60.246 62.300 -0.049 0.000 0.877 242 V CB 2.280 34.071 31.823 -0.054 0.000 0.996 242 V HN -0.605 7.563 8.190 -0.038 0.000 0.425 243 T N 8.313 122.836 114.554 -0.053 0.000 2.912 243 T HA 0.451 4.770 4.350 -0.051 0.000 0.288 243 T C -1.755 172.906 174.700 -0.065 0.000 1.030 243 T CA -1.272 60.794 62.100 -0.057 0.000 1.020 243 T CB 2.144 70.975 68.868 -0.061 0.000 1.056 243 T HN 0.378 8.585 8.240 -0.056 0.000 0.480 244 I N 3.157 123.687 120.570 -0.067 0.000 2.466 244 I HA 0.346 4.651 4.170 -0.075 -0.179 0.289 244 I C -1.028 175.031 176.117 -0.097 0.000 1.026 244 I CA -1.109 60.149 61.300 -0.071 0.000 1.078 244 I CB 2.203 40.173 38.000 -0.049 0.000 1.249 244 I HN 0.241 8.414 8.210 -0.061 0.000 0.429 245 Q N 8.064 127.774 119.800 -0.149 0.000 2.325 245 Q HA 0.430 4.660 4.340 -0.183 0.000 0.262 245 Q C -0.976 174.948 176.000 -0.128 0.000 0.968 245 Q CA -1.491 54.162 55.803 -0.250 0.000 0.877 245 Q CB 2.697 31.076 28.738 -0.598 0.000 1.253 245 Q HN 0.549 8.732 8.270 -0.143 0.000 0.448 246 T N -1.079 113.481 114.554 0.009 0.000 2.944 246 T HA 0.607 5.164 4.350 0.083 -0.158 0.284 246 T C 0.773 175.618 174.700 0.242 0.000 1.010 246 T CA -2.822 59.336 62.100 0.095 0.000 1.025 246 T CB 2.317 71.204 68.868 0.031 0.000 1.079 246 T HN 0.331 8.569 8.240 -0.003 0.000 0.516 247 L N -2.382 118.947 121.223 0.177 0.000 3.839 247 L HA -0.459 4.237 4.340 0.181 -0.248 0.416 247 L C -1.729 175.209 176.870 0.113 0.000 1.195 247 L CA 0.923 55.855 54.840 0.153 0.000 0.946 247 L CB -2.528 39.573 42.059 0.070 0.000 1.891 247 L HN 0.445 8.762 8.230 0.144 0.000 0.963 248 H N -1.389 117.710 119.070 0.049 0.000 2.708 248 H HA 0.676 5.459 4.556 0.032 -0.208 0.320 248 H C -0.891 174.461 175.328 0.039 0.000 0.991 248 H CA -1.113 54.956 56.048 0.034 0.000 1.243 248 H CB 1.227 31.000 29.762 0.018 0.000 1.446 248 H HN -0.448 7.965 8.280 0.280 0.035 0.502 249 Q N 5.307 125.167 119.800 0.099 0.000 2.325 249 Q HA 0.341 4.729 4.340 0.080 0.000 0.262 249 Q C -1.756 174.278 176.000 0.056 0.000 0.968 249 Q CA -1.817 54.032 55.803 0.077 0.000 0.877 249 Q CB 2.203 30.986 28.738 0.074 0.000 1.253 249 Q HN 0.476 8.772 8.270 0.044 0.000 0.448 250 V N 9.112 129.056 119.914 0.049 0.000 2.521 250 V HA -0.191 4.088 4.120 0.039 -0.136 0.286 250 V C -0.018 176.087 176.094 0.018 0.000 1.034 250 V CA 1.281 63.601 62.300 0.032 0.000 1.045 250 V CB -0.517 31.318 31.823 0.020 0.000 0.974 250 V HN 0.661 8.880 8.190 0.049 0.000 0.480 251 K N 4.807 125.215 120.400 0.015 0.000 2.262 251 K HA 0.126 4.455 4.320 0.015 0.000 0.200 251 K C -0.042 176.558 176.600 0.000 0.000 1.058 251 K CA 0.226 56.520 56.287 0.012 0.000 0.974 251 K CB 2.478 34.987 32.500 0.014 0.000 0.910 251 K HN 0.621 8.882 8.250 0.018 0.000 0.484 252 T N -5.970 108.581 114.554 -0.004 0.000 2.903 252 T HA 0.307 4.637 4.350 -0.034 0.000 0.299 252 T C -2.210 172.478 174.700 -0.021 0.000 1.093 252 T CA -1.287 60.802 62.100 -0.019 0.000 1.002 252 T CB 2.448 71.308 68.868 -0.012 0.000 1.127 252 T HN -0.779 7.463 8.240 0.003 0.000 0.488 253 I N 1.440 121.985 120.570 -0.042 0.000 2.466 253 I HA 0.600 4.914 4.170 -0.007 -0.148 0.289 253 I C -1.854 174.248 176.117 -0.025 0.000 1.026 253 I CA -0.901 60.376 61.300 -0.038 0.000 1.078 253 I CB 3.123 41.061 38.000 -0.104 0.000 1.249 253 I HN 0.753 8.929 8.210 -0.057 0.000 0.429 254 R N 4.197 124.716 120.500 0.032 0.000 2.808 254 R HA 0.758 5.267 4.340 0.002 -0.167 0.272 254 R C -2.007 174.344 176.300 0.084 0.000 0.995 254 R CA -2.560 53.559 56.100 0.030 0.000 0.917 254 R CB 4.008 34.313 30.300 0.008 0.000 1.217 254 R HN 0.693 8.998 8.270 0.059 0.000 0.471 255 Q N 3.348 123.159 119.800 0.019 0.000 2.288 255 Q HA 0.280 4.565 4.340 -0.358 -0.160 0.258 255 Q C 0.263 176.192 176.000 -0.118 0.000 0.957 255 Q CA -0.162 55.556 55.803 -0.141 0.000 0.919 255 Q CB 1.011 29.720 28.738 -0.048 0.000 1.185 255 Q HN 0.131 8.415 8.270 0.024 0.000 0.408 256 T N 2.925 117.376 114.554 -0.170 0.000 2.860 256 T HA 0.073 4.384 4.350 -0.066 0.000 0.299 256 T C 1.712 176.355 174.700 -0.095 0.000 1.045 256 T CA -0.933 61.106 62.100 -0.101 0.000 1.071 256 T CB 1.612 70.425 68.868 -0.091 0.000 0.985 256 T HN 0.123 8.207 8.240 -0.260 0.000 0.537 257 K N 3.845 124.207 120.400 -0.064 0.000 2.211 257 K HA -0.176 4.114 4.320 -0.050 0.000 0.204 257 K C 0.068 176.627 176.600 -0.068 0.000 1.047 257 K CA 2.519 58.772 56.287 -0.056 0.000 0.935 257 K CB -0.173 32.303 32.500 -0.040 0.000 0.728 257 K HN 0.484 8.702 8.250 -0.053 0.000 0.452 258 D N -3.821 116.530 120.400 -0.082 0.000 2.402 258 D HA 0.194 4.789 4.640 -0.075 0.000 0.216 258 D C -0.356 175.877 176.300 -0.112 0.000 1.128 258 D CA -0.467 53.481 54.000 -0.087 0.000 0.833 258 D CB 0.216 40.966 40.800 -0.084 0.000 0.971 258 D HN -0.606 7.678 8.370 -0.084 0.036 0.503 259 G N -0.297 108.419 108.800 -0.140 0.000 2.629 259 G HA2 -0.162 3.677 3.960 -0.202 0.000 0.686 259 G HA3 -0.162 3.707 3.960 -0.153 0.000 0.686 259 G C -0.464 174.287 174.900 -0.248 0.000 1.232 259 G CA -0.478 44.511 45.100 -0.185 0.000 0.803 259 G HN -0.595 7.432 8.290 -0.137 0.180 0.638 260 G N 1.046 109.627 108.800 -0.365 0.000 2.698 260 G HA2 -0.359 3.338 3.960 -0.439 0.000 0.233 260 G HA3 -0.359 3.594 3.960 -0.212 -0.121 0.233 260 G C -1.398 173.060 174.900 -0.736 0.000 1.352 260 G CA 0.096 44.936 45.100 -0.433 0.000 0.879 260 G HN -0.183 7.892 8.290 -0.358 0.000 0.567 261 Y N -1.180 119.108 120.300 -0.020 0.000 2.499 261 Y HA 0.615 5.306 4.550 -0.045 -0.168 0.347 261 Y C -1.755 174.143 175.900 -0.003 0.000 0.987 261 Y CA -1.573 56.507 58.100 -0.033 0.000 1.044 261 Y CB 3.999 42.422 38.460 -0.062 0.000 1.245 261 Y HN -0.300 7.978 8.280 -0.003 0.000 0.461 262 A N -0.011 122.880 122.820 0.118 0.000 2.355 262 A HA 0.808 5.327 4.320 0.090 -0.145 0.317 262 A C -2.444 175.182 177.584 0.071 0.000 1.094 262 A CA -2.118 49.967 52.037 0.079 0.000 0.764 262 A CB 3.264 22.288 19.000 0.040 0.000 1.230 262 A HN 0.802 9.022 8.150 0.117 0.000 0.448 263 L N 1.954 123.213 121.223 0.060 0.000 2.346 263 L HA 0.805 5.373 4.340 0.032 -0.209 0.276 263 L C 0.108 177.000 176.870 0.037 0.000 1.006 263 L CA -1.853 53.013 54.840 0.043 0.000 0.817 263 L CB 3.329 45.416 42.059 0.045 0.000 1.272 263 L HN 0.674 8.943 8.230 0.065 0.000 0.421 264 T N 6.280 120.850 114.554 0.027 0.000 2.771 264 T HA 0.452 4.997 4.350 0.029 -0.178 0.291 264 T C -1.217 173.500 174.700 0.029 0.000 0.954 264 T CA 0.598 62.712 62.100 0.025 0.000 1.045 264 T CB 0.865 69.742 68.868 0.015 0.000 0.917 264 T HN 0.022 8.274 8.240 0.020 0.000 0.484 265 V N 6.763 126.698 119.914 0.035 0.000 2.525 265 V HA 0.494 4.814 4.120 0.044 -0.174 0.299 265 V C -1.636 174.461 176.094 0.005 0.000 1.034 265 V CA -1.913 60.415 62.300 0.048 0.000 0.863 265 V CB 2.008 33.897 31.823 0.109 0.000 0.999 265 V HN 0.653 8.863 8.190 0.033 0.000 0.423 266 E N 6.872 127.058 120.200 -0.024 0.000 2.200 266 E HA 0.400 4.850 4.350 -0.079 -0.147 0.283 266 E C -1.533 174.958 176.600 -0.183 0.000 1.015 266 E CA -1.211 55.143 56.400 -0.078 0.000 0.819 266 E CB 1.849 31.518 29.700 -0.052 0.000 1.081 266 E HN 0.399 8.757 8.360 -0.003 0.000 0.397 267 Q N 6.974 126.603 119.800 -0.286 0.000 2.278 267 Q HA 0.716 4.931 4.340 -0.582 -0.225 0.257 267 Q C -1.171 174.702 176.000 -0.212 0.000 0.928 267 Q CA -1.028 54.506 55.803 -0.449 0.000 0.932 267 Q CB 2.432 30.826 28.738 -0.573 0.000 1.221 267 Q HN 0.392 8.532 8.270 -0.217 0.000 0.434 268 K N 7.233 127.542 120.400 -0.151 0.000 2.295 268 K HA 0.861 5.301 4.320 -0.093 -0.176 0.239 268 K C -0.693 175.870 176.600 -0.062 0.000 0.991 268 K CA -1.771 54.461 56.287 -0.091 0.000 0.845 268 K CB 3.630 36.080 32.500 -0.083 0.000 1.197 268 K HN 0.057 8.213 8.250 -0.157 0.000 0.441 269 D N -1.337 119.034 120.400 -0.047 0.000 2.466 269 D HA 0.182 4.800 4.640 -0.038 0.000 0.262 269 D C 1.712 177.992 176.300 -0.033 0.000 1.177 269 D CA -1.330 52.650 54.000 -0.034 0.000 1.035 269 D CB 1.532 42.318 40.800 -0.022 0.000 1.105 269 D HN 0.188 8.528 8.370 -0.051 0.000 0.551 270 T N -5.654 108.859 114.554 -0.068 0.000 3.072 270 T HA -0.222 3.978 4.350 -0.250 0.000 0.266 270 T C 0.185 174.823 174.700 -0.103 0.000 1.127 270 T CA 2.017 63.998 62.100 -0.198 0.000 1.107 270 T CB -0.160 68.531 68.868 -0.295 0.000 0.910 270 T HN 0.175 8.382 8.240 -0.054 0.000 0.513 271 D N 0.733 121.165 120.400 0.054 0.000 2.340 271 D HA 0.087 4.831 4.640 0.174 0.000 0.220 271 D C 0.865 177.299 176.300 0.224 0.000 1.039 271 D CA 0.369 54.457 54.000 0.147 0.000 0.866 271 D CB 0.215 41.069 40.800 0.090 0.000 0.913 271 D HN -0.535 7.988 8.370 0.033 -0.133 0.523 272 G N -1.280 107.598 108.800 0.130 0.000 2.157 272 G HA2 -0.439 3.353 3.960 -0.281 0.000 0.248 272 G HA3 -0.439 3.300 3.960 -0.368 0.000 0.248 272 G C -0.430 174.382 174.900 -0.146 0.000 0.979 272 G CA 0.225 45.219 45.100 -0.177 0.000 0.650 272 G HN -0.293 7.930 8.290 0.118 0.137 0.529 273 K N 0.765 121.127 120.400 -0.063 0.000 2.350 273 K HA -0.077 4.201 4.320 -0.070 0.000 0.279 273 K C -0.715 175.842 176.600 -0.072 0.000 1.027 273 K CA -0.379 55.871 56.287 -0.061 0.000 0.969 273 K CB 0.806 33.286 32.500 -0.033 0.000 0.954 273 K HN -0.421 8.040 8.250 -0.027 -0.227 0.474 274 L N 5.411 126.590 121.223 -0.073 0.000 2.418 274 L HA -0.106 4.184 4.340 -0.084 0.000 0.274 274 L C -0.067 176.767 176.870 -0.060 0.000 1.135 274 L CA 0.954 55.751 54.840 -0.072 0.000 0.870 274 L CB 0.067 42.087 42.059 -0.065 0.000 1.154 274 L HN 0.420 8.608 8.230 -0.070 0.000 0.462 275 L N 7.149 128.331 121.223 -0.069 0.000 2.316 275 L HA 0.122 4.435 4.340 -0.044 0.000 0.207 275 L C 0.178 177.017 176.870 -0.052 0.000 1.070 275 L CA 0.710 55.516 54.840 -0.057 0.000 0.820 275 L CB 0.430 42.453 42.059 -0.061 0.000 0.992 275 L HN 0.700 8.879 8.230 -0.086 0.000 0.466 276 A N -2.565 120.214 122.820 -0.069 0.000 2.605 276 A HA 0.304 4.603 4.320 -0.036 0.000 0.294 276 A C -3.011 174.537 177.584 -0.059 0.000 1.062 276 A CA 0.166 52.172 52.037 -0.052 0.000 0.682 276 A CB 2.637 21.612 19.000 -0.042 0.000 1.278 276 A HN -0.721 7.376 8.150 -0.088 0.000 0.410 277 T N 3.511 118.045 114.554 -0.033 0.000 2.786 277 T HA 0.611 5.111 4.350 -0.033 -0.169 0.283 277 T C -0.578 174.122 174.700 -0.001 0.000 0.992 277 T CA -0.662 61.425 62.100 -0.022 0.000 0.954 277 T CB 1.148 70.007 68.868 -0.015 0.000 0.934 277 T HN 0.123 8.349 8.240 -0.023 0.000 0.440 278 K N 7.077 127.486 120.400 0.015 0.000 2.267 278 K HA 0.337 4.676 4.320 0.033 0.000 0.246 278 K C -1.496 175.129 176.600 0.042 0.000 0.954 278 K CA -1.767 54.543 56.287 0.039 0.000 0.824 278 K CB 2.630 35.175 32.500 0.075 0.000 1.167 278 K HN 0.669 8.926 8.250 0.011 0.000 0.431 279 E N 1.559 121.785 120.200 0.042 0.000 2.133 279 E HA 0.697 5.297 4.350 0.043 -0.224 0.274 279 E C -0.724 175.909 176.600 0.055 0.000 0.930 279 E CA -1.428 54.998 56.400 0.044 0.000 0.770 279 E CB 1.023 30.744 29.700 0.034 0.000 1.104 279 E HN 0.174 8.557 8.360 0.040 0.000 0.403 280 I N 6.950 127.556 120.570 0.060 0.000 2.436 280 I HA 0.257 4.789 4.170 0.065 -0.323 0.289 280 I C -1.373 174.791 176.117 0.077 0.000 1.010 280 I CA -0.897 60.441 61.300 0.063 0.000 1.098 280 I CB 2.799 40.830 38.000 0.052 0.000 1.266 280 I HN 0.338 8.583 8.210 0.058 0.000 0.434 281 S N 6.246 122.009 115.700 0.106 0.000 2.648 281 S HA 1.136 5.857 4.470 0.128 -0.174 0.305 281 S C -0.905 173.801 174.600 0.176 0.000 1.094 281 S CA -2.184 56.107 58.200 0.151 0.000 0.983 281 S CB 3.621 66.915 63.200 0.156 0.000 1.101 281 S HN 0.620 8.997 8.310 0.112 0.000 0.514 282 C N -2.488 116.939 119.300 0.211 0.000 3.321 282 C HA 0.903 5.579 4.460 0.057 -0.182 0.329 282 C C -0.610 174.506 174.990 0.210 0.000 1.394 282 C CA -2.060 57.055 59.018 0.162 0.000 1.291 282 C CB 3.358 31.156 27.740 0.098 0.000 1.606 282 C HN 0.526 8.877 8.230 0.202 0.000 0.463 283 R N 1.234 121.808 120.500 0.123 0.000 2.090 283 R HA -0.079 4.205 4.340 -0.093 0.000 0.219 283 R C -0.534 175.628 176.300 -0.230 0.000 1.100 283 R CA 2.017 58.023 56.100 -0.158 0.000 0.991 283 R CB 1.466 31.532 30.300 -0.389 0.000 0.893 283 R HN 0.089 8.421 8.270 0.102 0.000 0.443 284 Y N -3.926 116.527 120.300 0.254 0.000 2.350 284 Y HA 0.348 5.174 4.550 0.206 -0.152 0.338 284 Y C -1.839 174.189 175.900 0.213 0.000 0.961 284 Y CA -1.688 56.568 58.100 0.259 0.000 1.100 284 Y CB 2.657 41.365 38.460 0.413 0.000 1.179 284 Y HN -0.241 8.116 8.280 0.129 0.000 0.454 285 L N 2.696 123.983 121.223 0.108 0.000 2.349 285 L HA 0.659 5.258 4.340 0.175 -0.154 0.278 285 L C -2.340 174.454 176.870 -0.127 0.000 0.996 285 L CA -1.398 53.440 54.840 -0.004 0.000 0.825 285 L CB 3.378 45.274 42.059 -0.272 0.000 1.243 285 L HN 0.352 8.558 8.230 -0.040 0.000 0.412 286 F N 5.718 125.724 119.950 0.094 0.000 2.449 286 F HA 0.413 5.202 4.527 0.168 -0.161 0.342 286 F C -1.527 174.282 175.800 0.015 0.000 1.127 286 F CA -1.712 56.350 58.000 0.102 0.000 0.975 286 F CB 2.768 41.819 39.000 0.084 0.000 1.146 286 F HN 0.764 9.319 8.300 0.425 0.000 0.444 287 L N 3.101 124.400 121.223 0.127 0.000 2.264 287 L HA 0.205 4.571 4.340 0.042 0.000 0.289 287 L C -0.437 176.475 176.870 0.071 0.000 1.044 287 L CA -0.238 54.634 54.840 0.053 0.000 0.807 287 L CB 0.324 42.372 42.059 -0.018 0.000 1.192 287 L HN 0.815 9.108 8.230 0.104 0.000 0.425 288 G N 2.435 111.264 108.800 0.048 0.000 4.543 288 G HA2 0.281 4.399 3.960 0.036 0.000 0.286 288 G HA3 0.281 4.255 3.960 0.024 0.000 0.286 288 G C -1.004 173.902 174.900 0.010 0.000 1.112 288 G CA 0.294 45.412 45.100 0.030 0.000 0.870 288 G HN 0.695 9.009 8.290 0.040 0.000 0.540 289 A N 0.774 123.595 122.820 0.002 0.000 2.259 289 A HA 0.120 4.432 4.320 -0.015 0.000 0.208 289 A C -0.944 176.638 177.584 -0.005 0.000 1.201 289 A CA -0.605 51.425 52.037 -0.012 0.000 0.824 289 A CB 0.278 19.264 19.000 -0.024 0.000 0.838 289 A HN -0.385 7.779 8.150 0.003 -0.013 0.485 290 G N -1.994 106.818 108.800 0.019 0.000 2.707 290 G HA2 -0.373 3.629 3.960 0.069 0.000 0.686 290 G HA3 -0.373 3.621 3.960 0.056 0.000 0.686 290 G C 0.173 175.101 174.900 0.047 0.000 1.315 290 G CA -0.528 44.602 45.100 0.050 0.000 0.832 290 G HN -0.400 8.086 8.290 0.021 -0.184 0.573 291 S N 0.095 115.858 115.700 0.105 0.000 2.372 291 S HA -0.420 4.178 4.470 0.119 -0.056 0.227 291 S C 1.892 176.510 174.600 0.029 0.000 1.044 291 S CA 3.233 61.523 58.200 0.150 0.000 1.050 291 S CB 0.044 63.437 63.200 0.321 0.000 0.901 291 S HN 0.445 8.832 8.310 0.128 0.000 0.447 292 L N -1.885 119.368 121.223 0.051 0.000 2.044 292 L HA -0.158 3.996 4.340 -0.309 0.000 0.205 292 L C 2.286 179.054 176.870 -0.170 0.000 1.075 292 L CA 2.202 56.988 54.840 -0.090 0.000 0.747 292 L CB -0.553 41.572 42.059 0.111 0.000 0.903 292 L HN -0.203 8.102 8.230 0.127 0.000 0.435 293 G N -2.347 106.410 108.800 -0.073 0.000 2.394 293 G HA2 -0.278 3.642 3.960 -0.067 0.000 0.215 293 G HA3 -0.278 3.800 3.960 -0.049 -0.148 0.215 293 G C 1.261 176.107 174.900 -0.091 0.000 1.165 293 G CA 1.913 46.970 45.100 -0.071 0.000 0.784 293 G HN -0.438 7.833 8.290 -0.031 0.000 0.535 294 S N 2.529 118.178 115.700 -0.084 0.000 2.368 294 S HA -0.319 4.108 4.470 -0.073 0.000 0.224 294 S C 2.021 176.543 174.600 -0.129 0.000 1.029 294 S CA 3.723 61.873 58.200 -0.083 0.000 0.988 294 S CB 0.079 63.251 63.200 -0.046 0.000 0.838 294 S HN 0.045 8.316 8.310 -0.065 0.000 0.462 295 T N 5.154 119.588 114.554 -0.199 0.000 2.746 295 T HA -0.359 3.884 4.350 -0.179 0.000 0.267 295 T C 1.510 176.046 174.700 -0.273 0.000 1.039 295 T CA 4.802 66.734 62.100 -0.281 0.000 1.142 295 T CB -0.025 68.518 68.868 -0.541 0.000 0.866 295 T HN -0.696 7.423 8.240 -0.201 0.000 0.444 296 E N 2.008 122.037 120.200 -0.285 0.000 2.077 296 E HA -0.312 3.965 4.350 -0.122 0.000 0.193 296 E C 2.220 178.766 176.600 -0.089 0.000 0.989 296 E CA 3.184 59.497 56.400 -0.144 0.000 0.800 296 E CB -0.248 29.405 29.700 -0.079 0.000 0.746 296 E HN -0.549 7.619 8.360 -0.320 0.000 0.452 297 L N -1.495 119.670 121.223 -0.097 0.000 2.042 297 L HA -0.377 3.918 4.340 -0.076 0.000 0.210 297 L C 2.391 179.187 176.870 -0.123 0.000 1.076 297 L CA 3.229 58.013 54.840 -0.093 0.000 0.749 297 L CB -0.055 41.952 42.059 -0.086 0.000 0.893 297 L HN -0.528 7.640 8.230 -0.105 0.000 0.432 298 L N -2.707 118.440 121.223 -0.126 0.000 2.131 298 L HA -0.387 3.867 4.340 -0.145 0.000 0.206 298 L C 2.155 178.952 176.870 -0.122 0.000 1.087 298 L CA 2.864 57.628 54.840 -0.127 0.000 0.767 298 L CB -0.406 41.590 42.059 -0.106 0.000 0.917 298 L HN -0.546 7.610 8.230 -0.123 0.000 0.441 299 V N -0.248 119.603 119.914 -0.106 0.000 2.343 299 V HA -0.499 3.576 4.120 -0.076 0.000 0.247 299 V C 1.753 177.680 176.094 -0.278 0.000 1.051 299 V CA 4.316 66.558 62.300 -0.098 0.000 1.036 299 V CB -0.881 30.945 31.823 0.005 0.000 0.654 299 V HN 0.217 8.346 8.190 -0.102 0.000 0.451 300 R N -0.124 120.170 120.500 -0.342 0.000 2.083 300 R HA -0.474 3.025 4.340 -1.401 0.000 0.237 300 R C 2.482 178.511 176.300 -0.451 0.000 1.137 300 R CA 4.043 59.755 56.100 -0.646 0.000 0.951 300 R CB -0.234 29.895 30.300 -0.284 0.000 0.851 300 R HN -0.080 8.069 8.270 -0.201 0.000 0.434 301 A N -1.112 121.556 122.820 -0.254 0.000 1.902 301 A HA -0.166 4.056 4.320 -0.165 0.000 0.217 301 A C 2.360 179.852 177.584 -0.153 0.000 1.181 301 A CA 2.718 54.648 52.037 -0.180 0.000 0.623 301 A CB -0.650 18.254 19.000 -0.159 0.000 0.818 301 A HN -0.143 7.876 8.150 -0.219 0.000 0.443 302 R N -1.084 119.330 120.500 -0.144 0.000 2.070 302 R HA -0.267 4.242 4.340 -0.034 -0.189 0.233 302 R C 1.594 177.836 176.300 -0.096 0.000 1.137 302 R CA 2.974 59.027 56.100 -0.078 0.000 0.945 302 R CB 0.207 30.480 30.300 -0.046 0.000 0.845 302 R HN -0.192 7.983 8.270 -0.158 0.000 0.430 303 D N -3.288 116.998 120.400 -0.190 0.000 2.348 303 D HA -0.006 4.613 4.640 -0.036 0.000 0.211 303 D C 1.543 177.773 176.300 -0.115 0.000 0.998 303 D CA 2.079 56.001 54.000 -0.130 0.000 0.873 303 D CB 0.016 40.771 40.800 -0.076 0.000 0.925 303 D HN -0.370 7.829 8.370 -0.286 0.000 0.524 304 T N -6.460 107.982 114.554 -0.186 0.000 3.069 304 T HA 0.208 4.557 4.350 -0.002 0.000 0.252 304 T C 1.100 175.778 174.700 -0.037 0.000 1.053 304 T CA -0.444 61.612 62.100 -0.073 0.000 0.964 304 T CB 0.803 69.622 68.868 -0.082 0.000 1.005 304 T HN -0.343 7.701 8.240 -0.269 0.035 0.532 305 G N 2.608 111.384 108.800 -0.041 0.000 2.141 305 G HA2 -0.311 3.649 3.960 0.000 0.000 0.242 305 G HA3 -0.311 3.649 3.960 0.001 0.000 0.242 305 G C 0.477 175.374 174.900 -0.005 0.000 0.982 305 G CA 0.587 45.681 45.100 -0.009 0.000 0.662 305 G HN -0.423 7.669 8.290 -0.063 0.160 0.527 306 T N -3.495 111.042 114.554 -0.028 0.000 3.051 306 T HA -0.022 4.326 4.350 -0.004 0.000 0.255 306 T C -0.679 174.009 174.700 -0.020 0.000 1.085 306 T CA 0.881 62.968 62.100 -0.021 0.000 1.109 306 T CB 1.021 69.867 68.868 -0.037 0.000 0.921 306 T HN -0.382 7.786 8.240 -0.052 0.041 0.488 307 L N 0.463 121.667 121.223 -0.031 0.000 2.594 307 L HA 0.716 5.088 4.340 0.052 0.000 0.245 307 L C -2.153 174.800 176.870 0.138 0.000 1.460 307 L CA -2.760 52.072 54.840 -0.013 0.000 0.865 307 L CB 1.261 43.155 42.059 -0.274 0.000 1.131 307 L HN -0.481 7.622 8.230 -0.044 0.100 0.506 308 P HA 0.002 4.461 4.420 0.065 0.000 0.230 308 P C -0.153 177.219 177.300 0.120 0.000 1.158 308 P CA 1.192 64.354 63.100 0.103 0.000 0.769 308 P CB 0.032 31.774 31.700 0.069 0.000 0.807 309 N N -1.782 117.039 118.700 0.202 0.000 2.268 309 N HA 0.134 4.887 4.740 0.020 0.000 0.204 309 N C -0.002 175.581 175.510 0.122 0.000 1.124 309 N CA -0.590 52.491 53.050 0.051 0.000 0.838 309 N CB 0.425 38.786 38.487 -0.211 0.000 0.994 309 N HN -0.334 8.212 8.380 0.374 0.058 0.489 310 L N -0.516 120.856 121.223 0.247 0.000 2.461 310 L HA -0.196 4.266 4.340 0.203 0.000 0.272 310 L C 0.159 177.075 176.870 0.078 0.000 1.197 310 L CA 0.859 55.800 54.840 0.168 0.000 0.836 310 L CB 0.404 42.528 42.059 0.107 0.000 1.105 310 L HN -0.879 7.456 8.230 0.277 0.061 0.477 311 N N 1.262 119.998 118.700 0.060 0.000 2.413 311 N HA 0.049 4.810 4.740 0.035 0.000 0.266 311 N C 0.841 176.375 175.510 0.040 0.000 1.238 311 N CA -1.057 52.017 53.050 0.040 0.000 0.972 311 N CB 0.688 39.194 38.487 0.032 0.000 1.210 311 N HN 0.058 8.479 8.380 0.067 0.000 0.547 312 S N -2.239 113.483 115.700 0.036 0.000 2.515 312 S HA -0.163 4.333 4.470 0.043 0.000 0.231 312 S C 1.000 175.629 174.600 0.048 0.000 0.987 312 S CA 2.702 60.926 58.200 0.041 0.000 0.936 312 S CB -0.500 62.721 63.200 0.036 0.000 0.766 312 S HN 0.363 8.692 8.310 0.032 0.000 0.528 313 E N 1.830 122.058 120.200 0.046 0.000 2.347 313 E HA -0.105 4.281 4.350 0.059 0.000 0.196 313 E C -0.012 176.626 176.600 0.064 0.000 1.008 313 E CA 0.608 57.040 56.400 0.054 0.000 0.852 313 E CB 0.010 29.737 29.700 0.044 0.000 0.783 313 E HN -0.590 7.935 8.360 0.041 -0.141 0.505 314 V N -0.198 119.748 119.914 0.054 0.000 2.540 314 V HA -0.583 3.565 4.120 0.047 0.000 0.297 314 V C 0.539 176.679 176.094 0.078 0.000 1.024 314 V CA 2.588 64.918 62.300 0.049 0.000 1.105 314 V CB -0.660 31.178 31.823 0.025 0.000 0.938 314 V HN -0.822 7.497 8.190 0.048 -0.101 0.482 315 G N 6.775 115.641 108.800 0.110 0.000 2.254 315 G HA2 -0.406 3.694 3.960 0.234 0.000 0.225 315 G HA3 -0.406 3.666 3.960 0.187 0.000 0.225 315 G C -1.500 173.565 174.900 0.275 0.000 1.003 315 G CA 0.203 45.426 45.100 0.206 0.000 0.622 315 G HN 0.895 9.240 8.290 0.092 0.000 0.507 316 A N 0.363 123.299 122.820 0.192 0.000 2.257 316 A HA 0.327 4.756 4.320 0.182 0.000 0.289 316 A C -0.537 177.173 177.584 0.210 0.000 1.095 316 A CA -1.504 50.641 52.037 0.179 0.000 0.836 316 A CB 1.231 20.300 19.000 0.116 0.000 1.111 316 A HN -0.589 7.584 8.150 0.152 0.067 0.497 317 G N -2.547 106.370 108.800 0.194 0.000 2.160 317 G HA2 -0.407 3.639 3.960 0.143 0.000 0.244 317 G HA3 -0.407 3.632 3.960 0.131 0.000 0.244 317 G C -0.615 174.413 174.900 0.213 0.000 1.022 317 G CA -0.123 45.078 45.100 0.169 0.000 0.741 317 G HN 0.372 8.771 8.290 0.181 0.000 0.508 318 W N 2.686 124.046 121.300 0.100 0.000 2.315 318 W HA 0.237 5.132 4.660 0.096 -0.177 0.316 318 W C -1.987 174.544 176.519 0.021 0.000 1.211 318 W CA 0.186 57.575 57.345 0.073 0.000 1.201 318 W CB 1.528 31.007 29.460 0.032 0.000 1.184 318 W HN -0.397 8.031 8.180 0.413 0.000 0.544 319 G N 3.950 112.193 108.800 -0.929 0.000 2.690 319 G HA2 0.469 3.832 3.960 -0.996 0.000 0.291 319 G HA3 0.469 4.103 3.960 -0.544 0.000 0.291 319 G C -3.075 170.829 174.900 -1.660 0.000 1.403 319 G CA -1.197 43.260 45.100 -1.072 0.000 0.864 319 G HN 0.677 8.336 8.290 -1.052 0.000 0.480 320 P HA 0.253 4.085 4.420 -0.981 0.000 0.249 320 P C -0.530 176.509 177.300 -0.435 0.000 1.583 320 P CA -1.041 61.517 63.100 -0.903 0.000 0.988 320 P CB -0.272 30.989 31.700 -0.732 0.000 1.530 321 N N -0.119 118.390 118.700 -0.319 0.000 2.708 321 N HA -0.434 4.384 4.740 -0.054 -0.111 0.249 321 N C -0.221 175.274 175.510 -0.024 0.000 1.097 321 N CA 1.060 54.058 53.050 -0.086 0.000 0.710 321 N CB -1.121 37.399 38.487 0.055 0.000 1.032 321 N HN -0.297 7.739 8.380 -0.421 0.092 0.551 322 G N -7.203 101.559 108.800 -0.064 0.000 2.225 322 G HA2 -0.556 3.415 3.960 0.018 0.000 0.267 322 G HA3 -0.556 3.648 3.960 0.098 -0.185 0.267 322 G C -0.574 174.315 174.900 -0.019 0.000 1.024 322 G CA 0.640 45.750 45.100 0.016 0.000 0.784 322 G HN 0.581 8.756 8.290 -0.138 0.033 0.507 323 N N 1.248 119.844 118.700 -0.172 0.000 2.468 323 N HA 0.209 5.084 4.740 -0.108 -0.199 0.265 323 N C -1.189 174.194 175.510 -0.213 0.000 1.199 323 N CA 0.959 53.854 53.050 -0.259 0.000 0.928 323 N CB 0.916 39.012 38.487 -0.651 0.000 1.059 323 N HN -0.646 7.562 8.380 -0.244 0.026 0.467 324 I N 1.847 122.458 120.570 0.068 0.000 2.656 324 I HA 0.473 4.952 4.170 0.243 -0.163 0.292 324 I C -2.054 174.245 176.117 0.304 0.000 1.144 324 I CA -2.277 59.158 61.300 0.225 0.000 1.038 324 I CB 4.134 42.269 38.000 0.225 0.000 1.244 324 I HN 0.140 8.421 8.210 0.119 0.000 0.420 325 M N 6.849 126.576 119.600 0.212 0.000 2.436 325 M HA 0.856 5.570 4.480 0.073 -0.190 0.331 325 M C -1.656 174.621 176.300 -0.038 0.000 1.135 325 M CA -1.070 54.220 55.300 -0.018 0.000 0.987 325 M CB 3.506 35.875 32.600 -0.385 0.000 1.687 325 M HN 0.007 8.441 8.290 0.240 0.000 0.445 326 T N 3.968 118.524 114.554 0.003 0.000 2.762 326 T HA 0.730 5.171 4.350 -0.078 -0.138 0.301 326 T C -2.739 171.932 174.700 -0.048 0.000 1.299 326 T CA -2.399 59.604 62.100 -0.163 0.000 1.005 326 T CB 2.351 70.858 68.868 -0.602 0.000 1.377 326 T HN 0.260 8.525 8.240 0.040 0.000 0.504 327 A N -0.371 122.395 122.820 -0.089 0.000 2.574 327 A HA 0.924 5.416 4.320 0.016 -0.163 0.297 327 A C -2.245 175.370 177.584 0.051 0.000 1.062 327 A CA -0.931 51.095 52.037 -0.019 0.000 0.686 327 A CB 3.555 22.495 19.000 -0.101 0.000 1.285 327 A HN 0.359 8.391 8.150 -0.196 0.000 0.403 328 R N 0.313 120.867 120.500 0.089 0.000 2.711 328 R HA 0.447 4.887 4.340 -0.012 -0.107 0.284 328 R C -1.455 174.843 176.300 -0.003 0.000 0.968 328 R CA -1.915 54.206 56.100 0.036 0.000 0.924 328 R CB 4.274 34.625 30.300 0.085 0.000 1.162 328 R HN 0.438 8.771 8.270 0.104 0.000 0.465 329 A N 3.331 126.130 122.820 -0.035 0.000 2.302 329 A HA 0.168 4.494 4.320 0.011 0.000 0.295 329 A C -1.376 176.142 177.584 -0.110 0.000 1.235 329 A CA -0.797 51.222 52.037 -0.031 0.000 0.876 329 A CB 0.514 19.503 19.000 -0.018 0.000 1.133 329 A HN 0.276 8.395 8.150 -0.053 0.000 0.533 330 N N 5.845 124.503 118.700 -0.070 0.000 2.467 330 N HA -0.008 4.548 4.740 -0.308 0.000 0.262 330 N C -0.301 175.027 175.510 -0.303 0.000 1.234 330 N CA -0.037 52.903 53.050 -0.183 0.000 0.952 330 N CB 1.560 40.033 38.487 -0.024 0.000 1.158 330 N HN -0.287 8.104 8.380 0.019 0.000 0.463 331 H N 0.611 119.418 119.070 -0.438 0.000 2.929 331 H HA -0.033 4.054 4.556 -0.782 0.000 0.358 331 H C 1.679 176.559 175.328 -0.746 0.000 1.111 331 H CA 1.013 56.515 56.048 -0.910 0.000 1.409 331 H CB 0.922 29.506 29.762 -1.964 0.000 1.373 331 H HN 0.173 7.954 8.280 -0.832 0.000 0.610 332 M N -0.047 119.194 119.600 -0.598 0.000 2.267 332 M HA -0.280 3.753 4.480 -0.745 0.000 0.263 332 M C 1.576 177.967 176.300 0.151 0.000 1.063 332 M CA 3.977 59.070 55.300 -0.346 0.000 1.090 332 M CB -0.255 32.230 32.600 -0.192 0.000 1.392 332 M HN 0.384 8.278 8.290 -0.660 0.000 0.422 333 W N -5.825 115.580 121.300 0.174 0.000 3.180 333 W HA -0.054 4.700 4.660 0.157 0.000 0.254 333 W C -1.019 175.611 176.519 0.185 0.000 1.318 333 W CA -0.769 56.672 57.345 0.159 0.000 1.608 333 W CB -0.491 29.017 29.460 0.080 0.000 1.124 333 W HN -0.274 7.672 8.180 -0.335 0.033 0.694 334 N N 0.262 119.014 118.700 0.087 0.000 2.818 334 N HA 0.371 5.188 4.740 0.128 0.000 0.301 334 N C -2.609 172.969 175.510 0.113 0.000 1.821 334 N CA -2.191 50.915 53.050 0.095 0.000 0.930 334 N CB -0.369 38.124 38.487 0.010 0.000 1.263 334 N HN -0.363 7.807 8.380 -0.049 0.181 0.487 335 P HA -0.005 4.164 4.420 -0.548 -0.077 0.269 335 P C -0.510 176.653 177.300 -0.229 0.000 1.209 335 P CA -0.070 62.858 63.100 -0.286 0.000 0.776 335 P CB 0.470 31.953 31.700 -0.361 0.000 0.876 336 T N -5.002 109.361 114.554 -0.319 0.000 3.060 336 T HA 0.051 4.342 4.350 -0.098 0.000 0.249 336 T C -0.281 174.297 174.700 -0.202 0.000 1.079 336 T CA -0.170 61.824 62.100 -0.177 0.000 1.013 336 T CB 0.993 69.784 68.868 -0.128 0.000 0.975 336 T HN 0.111 8.419 8.240 -0.476 -0.354 0.518 337 G N 0.802 109.399 108.800 -0.338 0.000 2.712 337 G HA2 -0.227 3.513 3.960 -0.380 0.000 0.686 337 G HA3 -0.227 3.558 3.960 -0.292 0.000 0.686 337 G C -0.616 174.031 174.900 -0.422 0.000 1.181 337 G CA -0.461 44.425 45.100 -0.356 0.000 0.762 337 G HN -0.626 7.831 8.290 -0.431 -0.425 0.641 338 A N 1.226 123.744 122.820 -0.505 0.000 2.067 338 A HA -0.132 3.913 4.320 -0.458 0.000 0.217 338 A C -0.966 176.332 177.584 -0.477 0.000 1.156 338 A CA 1.088 52.807 52.037 -0.531 0.000 0.683 338 A CB 0.765 19.396 19.000 -0.615 0.000 0.808 338 A HN 0.305 8.139 8.150 -0.527 0.000 0.455 339 H N -0.855 117.960 119.070 -0.424 0.000 2.661 339 H HA 0.225 4.540 4.556 -0.401 0.000 0.290 339 H C -1.701 173.394 175.328 -0.388 0.000 1.082 339 H CA -1.744 53.945 56.048 -0.599 0.000 1.234 339 H CB 0.324 29.272 29.762 -1.357 0.000 1.387 339 H HN -0.005 7.913 8.280 -0.534 0.041 0.476 340 Q N 5.914 125.732 119.800 0.029 0.000 2.310 340 Q HA 0.350 4.885 4.340 0.067 -0.155 0.270 340 Q C -1.491 174.566 176.000 0.095 0.000 1.025 340 Q CA -1.607 54.172 55.803 -0.039 0.000 0.772 340 Q CB 2.524 30.977 28.738 -0.475 0.000 1.253 340 Q HN 0.293 8.612 8.270 0.081 0.000 0.450 341 S N 3.681 119.453 115.700 0.119 0.000 2.552 341 S HA -0.280 4.301 4.470 -0.017 -0.122 0.289 341 S C 1.061 175.610 174.600 -0.084 0.000 1.304 341 S CA 0.764 58.940 58.200 -0.039 0.000 1.063 341 S CB 0.657 63.694 63.200 -0.273 0.000 0.848 341 S HN 0.134 8.513 8.310 0.115 0.000 0.499 342 S N 5.831 121.475 115.700 -0.094 0.000 2.561 342 S HA -0.003 4.390 4.470 -0.128 0.000 0.225 342 S C 0.541 175.119 174.600 -0.038 0.000 0.977 342 S CA 1.296 59.437 58.200 -0.098 0.000 0.926 342 S CB 0.605 63.741 63.200 -0.108 0.000 0.769 342 S HN 0.297 8.540 8.310 -0.112 0.000 0.533 343 I N 3.589 124.174 120.570 0.026 0.000 2.312 343 I HA 0.402 4.622 4.170 0.084 0.000 0.290 343 I C -2.058 174.306 176.117 0.411 0.000 1.008 343 I CA -3.938 57.435 61.300 0.122 0.000 1.226 343 I CB -0.430 37.536 38.000 -0.057 0.000 1.371 343 I HN -0.905 7.240 8.210 0.015 0.074 0.468 344 P HA 0.067 nan 4.420 nan 0.000 0.272 344 P C -1.771 175.827 177.300 0.497 0.000 1.223 344 P CA -0.076 63.332 63.100 0.513 0.000 0.784 344 P CB 0.403 32.314 31.700 0.352 0.000 0.923 345 A N -0.812 122.267 122.820 0.431 0.000 2.427 345 A HA 0.338 4.811 4.320 0.255 0.000 0.225 345 A C -1.798 175.822 177.584 0.060 0.000 1.257 345 A CA -0.491 51.655 52.037 0.181 0.000 0.985 345 A CB 2.193 21.093 19.000 -0.167 0.000 1.136 345 A HN 0.522 8.966 8.150 0.490 0.000 0.538 346 L N -2.098 119.170 121.223 0.075 0.000 2.388 346 L HA 0.907 5.353 4.340 -0.136 -0.187 0.264 346 L C -1.844 175.095 176.870 0.116 0.000 0.998 346 L CA -0.770 54.045 54.840 -0.040 0.000 0.817 346 L CB 4.455 46.436 42.059 -0.130 0.000 1.338 346 L HN -0.583 7.755 8.230 0.179 0.000 0.414 347 G N 1.461 110.341 108.800 0.132 0.000 2.680 347 G HA2 0.801 5.108 3.960 0.294 0.000 0.290 347 G HA3 0.801 4.994 3.960 0.385 -0.002 0.290 347 G C -2.605 172.422 174.900 0.211 0.000 1.355 347 G CA -1.422 43.844 45.100 0.276 0.000 0.903 347 G HN 0.482 8.809 8.290 0.063 0.000 0.474 348 I N -0.539 120.173 120.570 0.235 0.000 2.307 348 I HA 0.272 4.603 4.170 -0.015 -0.169 0.289 348 I C -1.619 174.432 176.117 -0.111 0.000 1.021 348 I CA -0.468 60.861 61.300 0.049 0.000 1.224 348 I CB 1.416 39.437 38.000 0.035 0.000 1.376 348 I HN 0.639 9.050 8.210 0.335 0.000 0.470 349 D N 8.223 128.390 120.400 -0.389 0.000 2.428 349 D HA 0.156 4.068 4.640 -1.214 0.000 0.221 349 D C -1.566 174.498 176.300 -0.393 0.000 1.123 349 D CA -1.154 52.335 54.000 -0.851 0.000 0.869 349 D CB 0.901 41.144 40.800 -0.928 0.000 1.032 349 D HN -0.213 7.989 8.370 -0.280 0.000 0.506 350 A N 5.081 127.741 122.820 -0.267 0.000 2.749 350 A HA 0.314 4.534 4.320 -0.168 0.000 0.299 350 A C -0.965 176.561 177.584 -0.097 0.000 1.105 350 A CA -1.349 50.590 52.037 -0.163 0.000 0.987 350 A CB 0.577 19.479 19.000 -0.164 0.000 1.180 350 A HN 0.548 8.547 8.150 -0.252 0.000 0.528 351 W N 2.485 123.636 121.300 -0.249 0.000 2.291 351 W HA 0.200 4.776 4.660 -0.140 0.000 0.312 351 W C -2.376 174.056 176.519 -0.145 0.000 1.061 351 W CA -0.943 56.300 57.345 -0.169 0.000 1.296 351 W CB 1.312 30.704 29.460 -0.113 0.000 1.223 351 W HN -0.152 8.494 8.180 -0.060 -0.502 0.421 352 D N 4.634 124.877 120.400 -0.261 0.000 2.513 352 D HA 0.066 4.716 4.640 0.016 0.000 0.222 352 D C -0.104 176.102 176.300 -0.156 0.000 1.210 352 D CA -1.547 52.382 54.000 -0.118 0.000 0.825 352 D CB 1.040 41.768 40.800 -0.121 0.000 1.037 352 D HN -0.265 7.816 8.370 -0.482 0.000 0.506 353 N N -4.237 114.216 118.700 -0.412 0.000 2.965 353 N HA -0.329 4.189 4.740 -0.370 0.000 0.232 353 N C -1.118 174.232 175.510 -0.266 0.000 0.913 353 N CA 2.107 55.011 53.050 -0.243 0.000 0.981 353 N CB -0.913 37.663 38.487 0.149 0.000 1.077 353 N HN -0.100 7.742 8.380 -0.898 0.000 0.589 354 S N -0.318 115.190 115.700 -0.321 0.000 2.634 354 S HA 0.159 4.538 4.470 -0.152 0.000 0.261 354 S C 0.684 175.098 174.600 -0.309 0.000 1.271 354 S CA 0.827 58.886 58.200 -0.236 0.000 0.985 354 S CB 1.903 64.991 63.200 -0.187 0.000 0.968 354 S HN -0.345 7.948 8.310 -0.350 -0.193 0.568 355 D N -0.425 119.856 120.400 -0.199 0.000 2.350 355 D HA -0.099 4.426 4.640 -0.191 0.000 0.216 355 D C 0.957 177.131 176.300 -0.209 0.000 0.968 355 D CA 2.561 56.452 54.000 -0.182 0.000 0.894 355 D CB -0.697 40.041 40.800 -0.104 0.000 0.909 355 D HN 0.430 8.711 8.370 -0.148 0.000 0.520 356 S N -2.345 113.220 115.700 -0.226 0.000 2.575 356 S HA 0.045 4.415 4.470 -0.168 0.000 0.215 356 S C -0.068 174.364 174.600 -0.280 0.000 0.966 356 S CA 0.242 58.318 58.200 -0.207 0.000 0.911 356 S CB 0.611 63.716 63.200 -0.159 0.000 0.780 356 S HN -0.669 7.455 8.310 -0.223 0.052 0.514 357 S N 2.239 117.652 115.700 -0.480 0.000 2.552 357 S HA -0.204 4.130 4.470 -0.521 -0.177 0.289 357 S C -1.128 173.255 174.600 -0.361 0.000 1.304 357 S CA 2.073 59.866 58.200 -0.680 0.000 1.063 357 S CB 0.668 62.830 63.200 -1.730 0.000 0.848 357 S HN -0.589 7.332 8.310 -0.523 0.075 0.499 358 V N 3.023 122.889 119.914 -0.080 0.000 2.733 358 V HA 0.509 4.996 4.120 0.275 -0.202 0.306 358 V C -2.261 174.046 176.094 0.354 0.000 1.084 358 V CA -1.314 61.092 62.300 0.176 0.000 0.905 358 V CB 3.751 35.608 31.823 0.056 0.000 1.010 358 V HN 0.001 8.012 8.190 -0.108 0.114 0.424 359 F N 7.475 127.630 119.950 0.341 0.000 2.500 359 F HA 0.593 5.406 4.527 0.178 -0.179 0.349 359 F C -2.525 173.398 175.800 0.204 0.000 1.127 359 F CA -2.758 55.375 58.000 0.221 0.000 0.998 359 F CB 3.421 42.502 39.000 0.135 0.000 1.237 359 F HN 0.587 9.270 8.300 0.638 0.000 0.439 360 A N 7.479 130.641 122.820 0.570 0.000 2.291 360 A HA 0.747 5.695 4.320 0.447 -0.360 0.311 360 A C -1.741 176.125 177.584 0.471 0.000 1.224 360 A CA -2.501 49.829 52.037 0.489 0.000 0.821 360 A CB 2.541 21.875 19.000 0.558 0.000 1.172 360 A HN 0.860 9.324 8.150 0.524 0.000 0.494 361 E N 6.711 127.138 120.200 0.378 0.000 2.465 361 E HA -0.207 4.322 4.350 0.299 0.000 0.260 361 E C -1.025 175.811 176.600 0.395 0.000 0.980 361 E CA 0.382 56.978 56.400 0.328 0.000 0.927 361 E CB 1.112 30.966 29.700 0.256 0.000 0.934 361 E HN -0.041 8.522 8.360 0.338 0.000 0.459 362 I N 7.010 127.797 120.570 0.363 0.000 2.308 362 I HA -0.002 4.340 4.170 0.287 0.000 0.293 362 I C -1.388 174.939 176.117 0.351 0.000 1.078 362 I CA -0.285 61.212 61.300 0.328 0.000 1.292 362 I CB -0.513 37.670 38.000 0.305 0.000 1.423 362 I HN -0.246 8.162 8.210 0.331 0.000 0.493 363 A N 8.238 131.164 122.820 0.175 0.000 2.309 363 A HA 0.677 5.264 4.320 0.195 -0.149 0.298 363 A C -2.659 174.894 177.584 -0.051 0.000 1.165 363 A CA -3.374 48.734 52.037 0.117 0.000 0.821 363 A CB 0.700 19.716 19.000 0.027 0.000 1.102 363 A HN 0.318 8.483 8.150 0.026 0.000 0.500 364 P HA 0.119 3.726 4.420 -1.552 -0.118 0.274 364 P C -1.114 175.896 177.300 -0.482 0.000 1.246 364 P CA -0.691 61.875 63.100 -0.890 0.000 0.795 364 P CB 1.137 32.334 31.700 -0.839 0.000 1.006 365 M N -1.612 117.679 119.600 -0.515 0.000 2.465 365 M HA 0.434 4.754 4.480 -0.268 0.000 0.316 365 M C -1.445 174.670 176.300 -0.309 0.000 1.121 365 M CA -2.257 52.832 55.300 -0.351 0.000 0.934 365 M CB 1.808 34.180 32.600 -0.380 0.000 1.692 365 M HN 0.203 8.445 8.290 -0.663 -0.349 0.444 366 P HA 0.235 4.573 4.420 -0.137 0.000 0.261 366 P C -0.514 176.710 177.300 -0.127 0.000 1.268 366 P CA 0.047 63.062 63.100 -0.140 0.000 0.833 366 P CB 0.728 32.376 31.700 -0.086 0.000 1.231 367 A N -0.777 121.918 122.820 -0.208 0.000 1.986 367 A HA -0.256 4.023 4.320 -0.067 0.000 0.220 367 A C 0.672 178.155 177.584 -0.168 0.000 1.171 367 A CA 1.788 53.707 52.037 -0.196 0.000 0.640 367 A CB -0.267 18.438 19.000 -0.491 0.000 0.811 367 A HN 0.061 7.986 8.150 -0.285 0.054 0.451 368 G N -5.470 103.206 108.800 -0.207 0.000 2.162 368 G HA2 -0.369 3.761 3.960 -0.116 0.000 0.260 368 G HA3 -0.369 3.553 3.960 -0.063 0.000 0.260 368 G C -1.443 173.338 174.900 -0.199 0.000 0.976 368 G CA 0.622 45.640 45.100 -0.136 0.000 0.655 368 G HN 0.487 8.618 8.290 -0.260 0.004 0.533 369 L N -7.565 113.494 121.223 -0.273 0.000 2.403 369 L HA 0.293 4.449 4.340 -0.306 0.000 0.253 369 L C -1.709 174.914 176.870 -0.412 0.000 1.045 369 L CA -3.247 51.416 54.840 -0.294 0.000 0.845 369 L CB 1.921 43.871 42.059 -0.181 0.000 1.447 369 L HN -1.021 6.940 8.230 -0.309 0.083 0.411 370 E N -0.417 119.514 120.200 -0.448 0.000 2.324 370 E HA 0.013 3.950 4.350 -0.687 0.000 0.271 370 E C -0.023 176.206 176.600 -0.619 0.000 1.028 370 E CA 0.530 56.519 56.400 -0.685 0.000 0.890 370 E CB 0.276 29.408 29.700 -0.946 0.000 1.004 370 E HN 0.234 8.368 8.360 -0.377 0.000 0.431 371 T N 0.505 114.703 114.554 -0.594 0.000 2.975 371 T HA 0.307 4.694 4.350 0.060 0.000 0.261 371 T C 0.627 175.395 174.700 0.114 0.000 0.984 371 T CA -1.024 60.940 62.100 -0.226 0.000 0.911 371 T CB 1.421 69.902 68.868 -0.646 0.000 1.127 371 T HN 0.167 8.012 8.240 -0.659 0.000 0.514 372 W N -3.444 117.748 121.300 -0.179 0.000 2.902 372 W HA -0.374 4.276 4.660 -0.145 -0.077 0.278 372 W C -1.602 174.829 176.519 -0.148 0.000 1.066 372 W CA 0.869 58.127 57.345 -0.145 0.000 0.570 372 W CB -2.216 27.174 29.460 -0.117 0.000 2.092 372 W HN -0.154 7.920 8.180 -0.650 -0.285 1.423 373 V N -0.347 119.535 119.914 -0.054 0.000 2.546 373 V HA 0.357 4.628 4.120 -0.014 -0.160 0.284 373 V C 0.413 176.425 176.094 -0.136 0.000 1.050 373 V CA -0.546 61.708 62.300 -0.077 0.000 0.981 373 V CB 0.428 32.182 31.823 -0.115 0.000 0.990 373 V HN -0.761 7.268 8.190 -0.158 0.066 0.474 374 S N 6.640 122.269 115.700 -0.118 0.000 2.462 374 S HA 0.291 4.628 4.470 -0.222 0.000 0.294 374 S C -1.974 172.367 174.600 -0.431 0.000 1.144 374 S CA -0.580 57.478 58.200 -0.238 0.000 1.088 374 S CB 1.400 64.518 63.200 -0.138 0.000 1.009 374 S HN 0.265 8.535 8.310 -0.066 0.000 0.484 375 L N 5.789 126.681 121.223 -0.552 0.000 2.334 375 L HA 0.600 4.876 4.340 -0.329 -0.134 0.276 375 L C -2.234 174.232 176.870 -0.673 0.000 1.014 375 L CA -1.174 53.395 54.840 -0.453 0.000 0.815 375 L CB 3.759 45.684 42.059 -0.224 0.000 1.268 375 L HN 0.330 8.280 8.230 -0.466 0.000 0.428 376 Y N 1.347 121.624 120.300 -0.038 0.000 2.457 376 Y HA 0.700 5.719 4.550 0.113 -0.401 0.343 376 Y C -1.568 174.359 175.900 0.045 0.000 0.994 376 Y CA -1.953 56.158 58.100 0.018 0.000 1.031 376 Y CB 4.074 42.453 38.460 -0.134 0.000 1.246 376 Y HN 0.629 8.870 8.280 -0.065 0.000 0.449 377 L N 3.126 124.515 121.223 0.277 0.000 2.295 377 L HA 0.602 5.191 4.340 0.197 -0.131 0.281 377 L C -2.074 174.977 176.870 0.302 0.000 1.018 377 L CA -1.666 53.312 54.840 0.229 0.000 0.841 377 L CB 2.459 44.622 42.059 0.173 0.000 1.218 377 L HN -0.015 8.402 8.230 0.312 0.000 0.424 378 A N 6.185 129.195 122.820 0.318 0.000 2.331 378 A HA 0.507 5.200 4.320 0.396 -0.135 0.283 378 A C -1.445 176.297 177.584 0.263 0.000 1.142 378 A CA -1.813 50.435 52.037 0.352 0.000 0.812 378 A CB 1.878 21.125 19.000 0.411 0.000 1.074 378 A HN 0.908 9.235 8.150 0.295 0.000 0.497 379 I N 3.880 124.625 120.570 0.293 0.000 2.354 379 I HA 0.393 4.687 4.170 0.206 0.000 0.292 379 I C -0.454 175.913 176.117 0.416 0.000 0.989 379 I CA -0.777 60.688 61.300 0.275 0.000 1.188 379 I CB 1.463 39.583 38.000 0.200 0.000 1.342 379 I HN 0.742 9.157 8.210 0.340 0.000 0.457 380 T N 2.652 117.420 114.554 0.356 0.000 2.888 380 T HA 0.652 5.332 4.350 0.275 -0.166 0.288 380 T C -0.758 174.114 174.700 0.287 0.000 1.063 380 T CA -2.575 59.692 62.100 0.279 0.000 1.010 380 T CB 2.964 71.910 68.868 0.130 0.000 1.214 380 T HN -0.122 8.278 8.240 0.267 0.000 0.533 381 K N 1.590 122.006 120.400 0.028 0.000 2.414 381 K HA 0.196 4.659 4.320 0.238 0.000 0.251 381 K C -1.592 175.030 176.600 0.037 0.000 1.037 381 K CA -0.910 55.403 56.287 0.044 0.000 0.980 381 K CB 0.601 32.953 32.500 -0.246 0.000 1.280 381 K HN 0.245 8.428 8.250 -0.110 0.000 0.451 382 N N 6.558 125.317 118.700 0.099 0.000 2.448 382 N HA 0.388 5.160 4.740 0.053 0.000 0.279 382 N C -1.124 174.450 175.510 0.108 0.000 1.025 382 N CA -3.119 49.983 53.050 0.087 0.000 0.898 382 N CB 1.730 40.285 38.487 0.113 0.000 1.303 382 N HN 0.173 8.636 8.380 0.138 0.000 0.495 383 P HA 0.073 4.547 4.420 0.090 0.000 0.233 383 P C -0.124 177.231 177.300 0.092 0.000 1.167 383 P CA 0.383 63.530 63.100 0.079 0.000 0.770 383 P CB 0.305 32.033 31.700 0.048 0.000 0.837 384 Q N 1.053 120.915 119.800 0.104 0.000 2.361 384 Q HA -0.109 4.256 4.340 0.041 0.000 0.276 384 Q C -0.510 175.653 176.000 0.271 0.000 1.022 384 Q CA 1.052 56.914 55.803 0.098 0.000 0.898 384 Q CB 0.653 29.374 28.738 -0.029 0.000 1.246 384 Q HN -0.416 8.159 8.270 0.099 -0.245 0.410 385 R N 0.734 121.381 120.500 0.246 0.000 2.795 385 R HA 0.633 5.431 4.340 0.513 -0.151 0.275 385 R C -0.163 176.375 176.300 0.397 0.000 0.981 385 R CA -2.081 54.241 56.100 0.370 0.000 0.917 385 R CB 3.136 33.562 30.300 0.210 0.000 1.202 385 R HN 0.010 8.359 8.270 0.132 0.000 0.469 386 G N -0.652 108.490 108.800 0.569 0.000 2.597 386 G HA2 0.630 4.886 3.960 0.266 0.000 0.317 386 G HA3 0.630 4.920 3.960 0.500 -0.030 0.317 386 G C -2.155 172.853 174.900 0.179 0.000 1.230 386 G CA -1.221 44.112 45.100 0.389 0.000 0.996 386 G HN 0.558 9.239 8.290 0.651 0.000 0.490 387 T N 2.410 116.966 114.554 0.003 0.000 2.886 387 T HA 0.684 5.264 4.350 0.093 -0.174 0.292 387 T C -1.240 173.356 174.700 -0.174 0.000 1.012 387 T CA -0.924 61.175 62.100 -0.001 0.000 0.982 387 T CB 3.267 72.166 68.868 0.052 0.000 1.018 387 T HN 0.227 8.792 8.240 -0.032 -0.345 0.451 388 F N 6.023 125.946 119.950 -0.045 0.000 2.424 388 F HA 0.153 4.768 4.527 -0.151 -0.179 0.356 388 F C -0.541 175.258 175.800 -0.002 0.000 1.110 388 F CA 0.296 58.245 58.000 -0.085 0.000 1.161 388 F CB 0.655 39.599 39.000 -0.094 0.000 1.115 388 F HN 0.549 9.028 8.300 0.297 0.000 0.507 389 V N 3.969 123.977 119.914 0.156 0.000 2.378 389 V HA 0.162 4.373 4.120 0.151 0.000 0.288 389 V C -1.597 174.603 176.094 0.176 0.000 1.016 389 V CA -1.385 60.997 62.300 0.137 0.000 0.840 389 V CB 2.369 34.232 31.823 0.066 0.000 0.994 389 V HN 0.438 8.685 8.190 0.094 0.000 0.431 390 Y N 10.069 130.408 120.300 0.064 0.000 2.526 390 Y HA -0.218 4.486 4.550 0.064 -0.116 0.330 390 Y C -1.077 174.851 175.900 0.046 0.000 1.156 390 Y CA 0.601 58.734 58.100 0.055 0.000 1.419 390 Y CB 0.712 39.196 38.460 0.040 0.000 1.250 390 Y HN 0.620 9.073 8.280 0.288 0.000 0.540 391 D N 7.669 127.766 120.400 -0.505 0.000 2.443 391 D HA 0.138 4.590 4.640 -0.313 0.000 0.221 391 D C -0.651 175.120 176.300 -0.882 0.000 1.097 391 D CA -2.100 51.608 54.000 -0.487 0.000 0.865 391 D CB 1.014 41.672 40.800 -0.237 0.000 1.034 391 D HN 0.142 8.244 8.370 -0.447 0.000 0.511 392 A N 6.982 129.385 122.820 -0.695 0.000 2.019 392 A HA -0.221 3.713 4.320 -0.644 0.000 0.219 392 A C 0.731 178.194 177.584 -0.200 0.000 1.164 392 A CA 2.479 54.262 52.037 -0.423 0.000 0.644 392 A CB -0.381 18.613 19.000 -0.010 0.000 0.805 392 A HN 0.590 8.481 8.150 -0.432 0.000 0.449 393 A N -0.473 122.247 122.820 -0.168 0.000 1.877 393 A HA -0.216 4.069 4.320 -0.058 0.000 0.216 393 A C 1.279 178.812 177.584 -0.084 0.000 1.186 393 A CA 2.329 54.312 52.037 -0.089 0.000 0.620 393 A CB 0.036 18.995 19.000 -0.067 0.000 0.822 393 A HN -0.124 8.084 8.150 -0.188 -0.171 0.443 394 T N -6.037 108.448 114.554 -0.114 0.000 3.086 394 T HA -0.081 4.240 4.350 -0.048 0.000 0.250 394 T C 0.530 175.189 174.700 -0.068 0.000 1.074 394 T CA -1.006 61.050 62.100 -0.074 0.000 0.988 394 T CB 0.958 69.793 68.868 -0.055 0.000 0.988 394 T HN -0.797 7.546 8.240 -0.154 -0.195 0.530 395 D N 0.796 121.116 120.400 -0.133 0.000 2.699 395 D HA -0.441 4.193 4.640 -0.075 -0.039 0.239 395 D C -1.942 174.390 176.300 0.054 0.000 1.136 395 D CA 1.519 55.507 54.000 -0.020 0.000 0.668 395 D CB -0.632 40.225 40.800 0.094 0.000 1.060 395 D HN -0.308 7.761 8.370 -0.217 0.171 0.429 396 R N -3.943 116.521 120.500 -0.059 0.000 2.686 396 R HA 0.811 5.541 4.340 0.141 -0.306 0.283 396 R C -1.537 174.831 176.300 0.113 0.000 0.978 396 R CA -3.349 52.794 56.100 0.071 0.000 0.897 396 R CB 3.322 33.655 30.300 0.055 0.000 1.192 396 R HN -0.768 7.358 8.270 -0.239 0.000 0.457 397 A N 4.672 127.638 122.820 0.243 0.000 2.437 397 A HA 0.456 5.132 4.320 0.312 -0.169 0.303 397 A C -1.337 176.441 177.584 0.322 0.000 1.324 397 A CA -0.789 51.421 52.037 0.289 0.000 0.983 397 A CB 0.128 19.257 19.000 0.215 0.000 1.142 397 A HN 0.811 9.782 8.150 0.230 -0.684 0.541 398 K N 4.412 124.940 120.400 0.214 0.000 2.227 398 K HA 0.252 4.748 4.320 0.293 0.000 0.280 398 K C -1.355 175.177 176.600 -0.114 0.000 1.041 398 K CA -1.254 55.120 56.287 0.145 0.000 0.905 398 K CB 2.086 34.641 32.500 0.092 0.000 1.068 398 K HN 0.530 8.783 8.250 0.184 0.108 0.470 399 L N 5.633 126.513 121.223 -0.571 0.000 2.369 399 L HA -0.042 3.756 4.340 -1.131 -0.136 0.279 399 L C -1.025 175.575 176.870 -0.451 0.000 1.108 399 L CA -0.194 54.036 54.840 -1.016 0.000 0.852 399 L CB 0.662 41.599 42.059 -1.870 0.000 1.169 399 L HN 0.436 8.260 8.230 -0.676 0.000 0.452 400 N N 5.631 124.153 118.700 -0.297 0.000 2.968 400 N HA 0.057 4.751 4.740 -0.077 0.000 0.271 400 N C -1.787 173.711 175.510 -0.020 0.000 1.174 400 N CA -0.287 52.696 53.050 -0.111 0.000 1.096 400 N CB -0.318 38.126 38.487 -0.072 0.000 1.403 400 N HN 0.147 8.312 8.380 -0.357 0.000 0.522 401 W N 4.118 125.297 121.300 -0.202 0.000 2.702 401 W HA 0.694 5.530 4.660 -0.052 -0.208 0.331 401 W C -2.037 174.454 176.519 -0.048 0.000 1.049 401 W CA -1.619 55.668 57.345 -0.097 0.000 1.230 401 W CB 4.011 33.409 29.460 -0.103 0.000 1.408 401 W HN -0.436 7.689 8.180 0.047 0.084 0.492 402 T N 0.545 114.784 114.554 -0.525 0.000 2.918 402 T HA 0.433 4.815 4.350 -0.106 -0.096 0.286 402 T C 0.544 175.007 174.700 -0.396 0.000 1.026 402 T CA -2.162 59.747 62.100 -0.318 0.000 1.031 402 T CB 3.371 72.091 68.868 -0.248 0.000 1.046 402 T HN 0.080 8.116 8.240 -0.843 -0.301 0.479 403 R N 2.592 123.052 120.500 -0.067 0.000 2.120 403 R HA -0.329 4.122 4.340 0.185 0.000 0.234 403 R C 1.890 178.161 176.300 -0.047 0.000 1.123 403 R CA 3.881 60.007 56.100 0.043 0.000 0.975 403 R CB -0.076 30.277 30.300 0.087 0.000 0.866 403 R HN 0.527 9.156 8.270 -0.011 -0.366 0.446 404 D N -1.257 119.072 120.400 -0.117 0.000 2.221 404 D HA -0.219 4.378 4.640 -0.071 0.000 0.204 404 D C 2.301 178.487 176.300 -0.189 0.000 0.982 404 D CA 3.017 56.944 54.000 -0.122 0.000 0.857 404 D CB -1.004 39.726 40.800 -0.116 0.000 0.934 404 D HN 0.320 8.583 8.370 -0.121 0.034 0.475 405 Q N -2.910 116.655 119.800 -0.392 0.000 2.364 405 Q HA -0.213 3.900 4.340 -0.378 0.000 0.207 405 Q C 1.016 176.881 176.000 -0.224 0.000 0.970 405 Q CA 2.420 57.898 55.803 -0.541 0.000 0.888 405 Q CB -0.136 27.815 28.738 -1.311 0.000 0.951 405 Q HN -0.123 7.602 8.270 -0.480 0.258 0.469 406 N N -2.099 116.611 118.700 0.017 0.000 2.398 406 N HA -0.060 4.849 4.740 0.281 0.000 0.188 406 N C 0.346 175.895 175.510 0.066 0.000 1.122 406 N CA 0.307 53.477 53.050 0.199 0.000 0.866 406 N CB 0.306 38.976 38.487 0.306 0.000 0.970 406 N HN -0.476 7.733 8.380 -0.028 0.155 0.462 407 A N 1.251 124.069 122.820 -0.002 0.000 1.908 407 A HA -0.069 4.234 4.320 -0.028 0.000 0.218 407 A C -1.390 176.175 177.584 -0.032 0.000 1.181 407 A CA 4.790 56.811 52.037 -0.027 0.000 0.627 407 A CB -2.354 16.620 19.000 -0.044 0.000 0.818 407 A HN -0.208 7.750 8.150 -0.032 0.173 0.445 408 P HA -0.176 4.222 4.420 -0.037 0.000 0.217 408 P C 1.090 178.381 177.300 -0.014 0.000 1.150 408 P CA 2.923 66.010 63.100 -0.020 0.000 0.832 408 P CB -0.597 31.099 31.700 -0.007 0.000 0.787 409 A N -2.277 120.556 122.820 0.023 0.000 1.873 409 A HA -0.223 4.118 4.320 0.035 0.000 0.215 409 A C 2.115 179.697 177.584 -0.004 0.000 1.186 409 A CA 2.992 55.051 52.037 0.037 0.000 0.616 409 A CB -0.790 18.259 19.000 0.081 0.000 0.823 409 A HN -0.777 7.401 8.150 0.046 0.000 0.442 410 V N -0.902 118.985 119.914 -0.045 0.000 2.287 410 V HA -0.686 3.321 4.120 -0.187 0.000 0.248 410 V C 1.807 177.724 176.094 -0.296 0.000 1.053 410 V CA 4.930 67.113 62.300 -0.196 0.000 1.027 410 V CB -0.269 31.436 31.823 -0.196 0.000 0.646 410 V HN -0.062 8.119 8.190 -0.014 0.000 0.447 411 N N -0.640 117.953 118.700 -0.177 0.000 2.166 411 N HA -0.310 4.307 4.740 -0.205 0.000 0.186 411 N C 2.114 177.551 175.510 -0.121 0.000 1.019 411 N CA 3.080 56.035 53.050 -0.159 0.000 0.856 411 N CB -0.794 37.634 38.487 -0.098 0.000 0.993 411 N HN -0.084 8.222 8.380 -0.124 0.000 0.426 412 A N -0.212 122.559 122.820 -0.082 0.000 1.873 412 A HA -0.172 4.106 4.320 -0.070 0.000 0.215 412 A C 1.824 179.403 177.584 -0.010 0.000 1.186 412 A CA 3.007 55.010 52.037 -0.057 0.000 0.616 412 A CB -0.767 18.198 19.000 -0.059 0.000 0.823 412 A HN -0.325 7.781 8.150 -0.073 0.000 0.442 413 A N -1.200 121.647 122.820 0.045 0.000 1.908 413 A HA -0.442 4.043 4.320 0.276 0.000 0.218 413 A C 1.451 179.224 177.584 0.316 0.000 1.181 413 A CA 3.318 55.502 52.037 0.245 0.000 0.627 413 A CB -0.771 18.441 19.000 0.354 0.000 0.818 413 A HN -0.169 7.988 8.150 0.013 0.000 0.445 414 K N -0.610 119.767 120.400 -0.038 0.000 2.097 414 K HA -0.239 4.332 4.320 0.419 0.000 0.205 414 K C 1.975 178.673 176.600 0.163 0.000 1.050 414 K CA 2.943 59.245 56.287 0.026 0.000 0.938 414 K CB 0.084 32.312 32.500 -0.452 0.000 0.718 414 K HN 0.096 8.197 8.250 -0.249 0.000 0.442 415 A N -0.332 122.510 122.820 0.037 0.000 1.902 415 A HA -0.244 4.101 4.320 0.042 0.000 0.217 415 A C 1.936 179.523 177.584 0.004 0.000 1.181 415 A CA 3.021 55.069 52.037 0.020 0.000 0.623 415 A CB -0.718 18.264 19.000 -0.030 0.000 0.818 415 A HN -0.263 7.877 8.150 -0.017 0.000 0.443 416 L N -1.675 119.519 121.223 -0.047 0.000 2.005 416 L HA -0.273 3.949 4.340 -0.196 0.000 0.207 416 L C 2.076 178.778 176.870 -0.280 0.000 1.072 416 L CA 3.216 57.922 54.840 -0.224 0.000 0.744 416 L CB -0.616 41.228 42.059 -0.359 0.000 0.895 416 L HN -0.668 7.553 8.230 -0.015 0.000 0.433 417 F N -2.272 117.736 119.950 0.097 0.000 2.293 417 F HA -0.369 4.134 4.527 -0.039 0.000 0.300 417 F C 2.176 178.019 175.800 0.072 0.000 1.086 417 F CA 3.918 61.971 58.000 0.089 0.000 1.375 417 F CB -0.703 38.450 39.000 0.253 0.000 1.045 417 F HN -0.160 8.219 8.300 0.131 0.000 0.516 418 D N -0.702 119.866 120.400 0.280 0.000 2.144 418 D HA -0.317 4.401 4.640 0.130 0.000 0.199 418 D C 2.385 178.713 176.300 0.047 0.000 0.984 418 D CA 3.907 58.003 54.000 0.161 0.000 0.834 418 D CB -0.685 40.225 40.800 0.184 0.000 0.955 418 D HN 0.265 8.817 8.370 0.330 0.016 0.465 419 R N -0.737 119.766 120.500 0.006 0.000 2.081 419 R HA -0.269 4.063 4.340 -0.013 0.000 0.235 419 R C 2.550 178.829 176.300 -0.034 0.000 1.131 419 R CA 3.133 59.216 56.100 -0.029 0.000 0.960 419 R CB -0.183 30.076 30.300 -0.067 0.000 0.856 419 R HN -0.783 7.489 8.270 0.003 0.000 0.436 420 I N -0.570 119.970 120.570 -0.051 0.000 2.252 420 I HA -0.458 3.692 4.170 -0.034 0.000 0.245 420 I C 1.575 177.678 176.117 -0.023 0.000 1.102 420 I CA 3.801 65.080 61.300 -0.035 0.000 1.385 420 I CB -0.293 37.688 38.000 -0.031 0.000 1.064 420 I HN -0.696 7.393 8.210 -0.067 0.082 0.414 421 N N -0.117 118.552 118.700 -0.051 0.000 2.120 421 N HA -0.237 4.442 4.740 -0.102 0.000 0.188 421 N C 2.497 177.991 175.510 -0.027 0.000 1.024 421 N CA 2.636 55.632 53.050 -0.091 0.000 0.852 421 N CB -0.379 37.988 38.487 -0.201 0.000 1.003 421 N HN -0.079 8.274 8.380 -0.045 0.000 0.424 422 K N 0.676 121.073 120.400 -0.006 0.000 2.057 422 K HA -0.274 4.060 4.320 0.024 0.000 0.206 422 K C 2.031 178.647 176.600 0.028 0.000 1.050 422 K CA 2.823 59.121 56.287 0.017 0.000 0.935 422 K CB -0.033 32.478 32.500 0.018 0.000 0.715 422 K HN -0.188 8.057 8.250 -0.009 0.000 0.439 423 A N -2.338 120.494 122.820 0.021 0.000 2.015 423 A HA -0.136 4.204 4.320 0.034 0.000 0.219 423 A C 1.102 178.726 177.584 0.066 0.000 1.163 423 A CA 2.344 54.401 52.037 0.034 0.000 0.646 423 A CB 0.050 19.062 19.000 0.020 0.000 0.806 423 A HN -0.375 7.780 8.150 0.009 0.000 0.448 424 N N -3.866 114.877 118.700 0.072 0.000 2.220 424 N HA 0.016 4.868 4.740 0.187 0.000 0.195 424 N C 0.635 176.272 175.510 0.211 0.000 1.123 424 N CA 0.155 53.290 53.050 0.142 0.000 0.874 424 N CB 1.609 40.138 38.487 0.070 0.000 0.995 424 N HN -0.681 7.586 8.380 0.043 0.138 0.498 425 G N 1.494 110.373 108.800 0.131 0.000 2.273 425 G HA2 -0.405 3.617 3.960 0.103 0.000 0.280 425 G HA3 -0.405 3.681 3.960 0.211 0.000 0.280 425 G C -1.130 173.852 174.900 0.137 0.000 1.047 425 G CA 0.954 46.147 45.100 0.155 0.000 0.869 425 G HN -0.118 8.224 8.290 0.086 0.000 0.502 426 T N -2.585 111.957 114.554 -0.020 0.000 2.949 426 T HA 0.309 4.592 4.350 -0.111 0.000 0.287 426 T C -1.511 173.125 174.700 -0.108 0.000 1.034 426 T CA -2.245 59.777 62.100 -0.130 0.000 1.018 426 T CB 3.238 71.941 68.868 -0.274 0.000 1.135 426 T HN -0.695 7.529 8.240 -0.027 0.000 0.532 427 I N -5.425 115.085 120.570 -0.101 0.000 2.910 427 I HA 0.490 4.588 4.170 -0.121 0.000 0.310 427 I C -1.621 174.413 176.117 -0.138 0.000 1.043 427 I CA -2.639 58.620 61.300 -0.069 0.000 1.053 427 I CB 3.223 41.279 38.000 0.093 0.000 1.242 427 I HN 0.147 8.298 8.210 -0.098 0.000 0.452 428 Y N -0.347 119.944 120.300 -0.015 0.000 2.426 428 Y HA -0.081 4.485 4.550 -0.191 -0.130 0.344 428 Y C 0.884 176.648 175.900 -0.227 0.000 1.256 428 Y CA 1.515 59.473 58.100 -0.237 0.000 1.451 428 Y CB 0.614 38.719 38.460 -0.592 0.000 1.342 428 Y HN 0.102 8.350 8.280 -0.054 0.000 0.600 429 R N -0.621 119.835 120.500 -0.073 0.000 2.539 429 R HA 0.061 4.426 4.340 0.043 0.000 0.275 429 R C -0.268 175.839 176.300 -0.322 0.000 1.077 429 R CA -0.749 55.298 56.100 -0.088 0.000 1.097 429 R CB 0.615 30.872 30.300 -0.071 0.000 1.018 429 R HN -0.069 8.175 8.270 -0.044 0.000 0.483 430 Y N -1.546 118.752 120.300 -0.003 0.000 2.527 430 Y HA 0.075 4.623 4.550 -0.003 0.000 0.247 430 Y C -0.589 175.289 175.900 -0.037 0.000 1.138 430 Y CA 1.032 59.130 58.100 -0.004 0.000 1.228 430 Y CB 1.425 39.905 38.460 0.033 0.000 1.252 430 Y HN 0.411 8.797 8.280 0.175 0.000 0.531 431 D N -1.370 119.037 120.400 0.011 0.000 2.469 431 D HA 0.185 4.824 4.640 -0.001 0.000 0.215 431 D C 0.637 176.833 176.300 -0.174 0.000 1.154 431 D CA -0.255 53.719 54.000 -0.043 0.000 0.832 431 D CB -0.963 39.822 40.800 -0.025 0.000 1.008 431 D HN -0.069 8.287 8.370 -0.024 0.000 0.506 432 L N -1.465 119.530 121.223 -0.380 0.000 2.418 432 L HA -0.019 4.102 4.340 -0.365 0.000 0.218 432 L C -0.718 175.804 176.870 -0.579 0.000 1.125 432 L CA 1.697 56.184 54.840 -0.589 0.000 0.835 432 L CB 0.157 41.638 42.059 -0.965 0.000 0.953 432 L HN -0.312 7.670 8.230 -0.414 0.000 0.454 433 F N -4.424 115.500 119.950 -0.043 0.000 2.818 433 F HA -0.005 4.480 4.527 -0.070 0.000 0.369 433 F C -0.947 174.802 175.800 -0.084 0.000 1.327 433 F CA -0.873 57.088 58.000 -0.065 0.000 1.211 433 F CB -0.322 38.649 39.000 -0.050 0.000 1.036 433 F HN -0.256 7.847 8.300 -0.244 0.051 0.510 434 G N -0.769 108.015 108.800 -0.026 0.000 2.497 434 G HA2 -0.218 3.626 3.960 -0.192 0.000 0.686 434 G HA3 -0.218 3.717 3.960 -0.042 0.000 0.686 434 G C -0.817 174.065 174.900 -0.031 0.000 1.288 434 G CA -0.824 44.228 45.100 -0.080 0.000 0.899 434 G HN -0.824 7.430 8.290 -0.060 0.000 0.608 435 T N -4.927 109.607 114.554 -0.034 0.000 2.951 435 T HA -0.280 4.066 4.350 -0.007 0.000 0.268 435 T C 0.210 174.922 174.700 0.019 0.000 1.073 435 T CA 0.966 63.062 62.100 -0.006 0.000 1.134 435 T CB -0.009 68.856 68.868 -0.006 0.000 0.884 435 T HN 0.187 8.396 8.240 -0.052 0.000 0.479 436 Q N 0.749 120.567 119.800 0.029 0.000 2.337 436 Q HA -0.037 4.326 4.340 0.038 0.000 0.270 436 Q C -0.783 175.267 176.000 0.083 0.000 1.002 436 Q CA -0.220 55.612 55.803 0.049 0.000 0.888 436 Q CB 0.134 28.903 28.738 0.051 0.000 1.222 436 Q HN -0.252 8.010 8.270 0.022 0.021 0.400 437 L N 1.625 122.901 121.223 0.088 0.000 2.615 437 L HA -0.173 4.430 4.340 0.184 -0.152 0.271 437 L C 0.529 177.534 176.870 0.225 0.000 1.183 437 L CA 0.545 55.476 54.840 0.152 0.000 0.933 437 L CB -0.258 41.839 42.059 0.062 0.000 1.199 437 L HN 0.035 8.301 8.230 0.061 0.000 0.487 438 K N 6.011 126.581 120.400 0.284 0.000 2.690 438 K HA 0.181 4.660 4.320 0.266 0.000 0.264 438 K C -1.449 175.268 176.600 0.195 0.000 1.040 438 K CA -0.412 56.028 56.287 0.255 0.000 0.946 438 K CB 2.687 35.318 32.500 0.218 0.000 1.268 438 K HN 0.086 8.512 8.250 0.294 0.000 0.473 439 A N 3.423 126.259 122.820 0.027 0.000 2.081 439 A HA 0.119 4.333 4.320 -0.422 -0.147 0.214 439 A C -1.150 176.094 177.584 -0.568 0.000 1.158 439 A CA 0.887 52.644 52.037 -0.467 0.000 0.724 439 A CB 0.795 19.155 19.000 -1.066 0.000 0.826 439 A HN 0.344 8.586 8.150 0.154 0.000 0.463 440 F N -2.515 117.419 119.950 -0.026 0.000 2.496 440 F HA 0.552 5.225 4.527 -0.072 -0.189 0.341 440 F C -0.908 174.798 175.800 -0.157 0.000 1.134 440 F CA -2.155 55.797 58.000 -0.079 0.000 0.968 440 F CB 2.541 41.492 39.000 -0.080 0.000 1.205 440 F HN -0.572 7.791 8.300 0.171 0.040 0.436 441 A N 4.371 126.959 122.820 -0.386 0.000 2.396 441 A HA 0.018 4.119 4.320 -0.365 0.000 0.279 441 A C -1.038 176.564 177.584 0.030 0.000 1.165 441 A CA 0.122 51.873 52.037 -0.476 0.000 0.824 441 A CB 0.580 18.839 19.000 -1.236 0.000 1.100 441 A HN 0.403 8.216 8.150 -0.562 0.000 0.516 442 D N 0.080 120.539 120.400 0.097 0.000 2.563 442 D HA 0.097 4.812 4.640 0.125 0.000 0.237 442 D C -1.202 175.192 176.300 0.158 0.000 1.282 442 D CA -1.179 52.903 54.000 0.136 0.000 0.816 442 D CB 1.374 42.252 40.800 0.131 0.000 1.066 442 D HN 0.230 8.638 8.370 0.063 0.000 0.501 443 D N -4.444 116.065 120.400 0.183 0.000 2.785 443 D HA 0.087 4.845 4.640 0.197 0.000 0.324 443 D C -1.853 174.586 176.300 0.233 0.000 1.523 443 D CA -0.644 53.473 54.000 0.196 0.000 0.789 443 D CB -0.830 40.085 40.800 0.192 0.000 1.171 443 D HN -0.414 8.094 8.370 0.229 0.000 0.447 444 F N -2.532 117.449 119.950 0.051 0.000 2.631 444 F HA 1.141 6.014 4.527 0.231 -0.207 0.328 444 F C -2.098 173.730 175.800 0.047 0.000 1.067 444 F CA -2.429 55.639 58.000 0.112 0.000 0.969 444 F CB 3.382 42.398 39.000 0.027 0.000 1.332 444 F HN -0.776 7.586 8.300 0.103 0.000 0.490 445 C N -2.878 116.326 119.300 -0.159 0.000 3.181 445 C HA 0.282 4.110 4.460 -1.176 -0.074 0.362 445 C C -1.844 173.303 174.990 0.262 0.000 1.125 445 C CA -1.140 57.618 59.018 -0.434 0.000 1.265 445 C CB 2.182 29.730 27.740 -0.320 0.000 1.632 445 C HN 0.157 8.594 8.230 0.345 0.000 0.525 446 Y N -0.326 119.962 120.300 -0.020 0.000 2.497 446 Y HA 0.239 4.938 4.550 0.249 0.000 0.265 446 Y C 0.028 176.058 175.900 0.217 0.000 1.111 446 Y CA -1.513 56.653 58.100 0.110 0.000 1.288 446 Y CB 1.037 39.518 38.460 0.035 0.000 1.082 446 Y HN 0.021 8.451 8.280 -0.199 -0.269 0.536 447 H N -1.397 117.789 119.070 0.194 0.000 2.317 447 H HA 0.358 4.985 4.556 0.117 0.000 0.231 447 H C -2.768 172.559 175.328 -0.001 0.000 1.442 447 H CA -3.774 52.323 56.048 0.083 0.000 1.336 447 H CB 0.579 30.347 29.762 0.011 0.000 1.533 447 H HN -0.801 7.680 8.280 0.031 -0.182 0.522 448 P HA 0.035 4.438 4.420 -0.028 0.000 0.276 448 P C -2.116 175.209 177.300 0.041 0.000 1.235 448 P CA 0.036 63.252 63.100 0.194 0.000 0.772 448 P CB 0.841 32.883 31.700 0.570 0.000 0.871 449 L N 1.924 122.965 121.223 -0.304 0.000 2.438 449 L HA 0.386 4.857 4.340 -0.031 -0.150 0.270 449 L C -0.683 176.062 176.870 -0.208 0.000 0.972 449 L CA -0.871 53.860 54.840 -0.181 0.000 0.831 449 L CB 3.137 45.087 42.059 -0.181 0.000 1.273 449 L HN 0.027 7.799 8.230 -0.764 0.000 0.405 450 G N 1.878 110.707 108.800 0.048 0.000 2.483 450 G HA2 -0.302 3.922 3.960 0.095 0.000 0.521 450 G HA3 -0.302 3.902 3.960 0.104 -0.182 0.521 450 G C -0.901 174.211 174.900 0.354 0.000 1.278 450 G CA -0.204 44.982 45.100 0.143 0.000 0.965 450 G HN 0.484 8.819 8.290 0.076 0.000 0.504 451 G N -3.567 105.433 108.800 0.332 0.000 2.284 451 G HA2 -0.392 3.890 3.960 0.406 0.000 0.216 451 G HA3 -0.392 3.741 3.960 0.289 0.000 0.216 451 G C -1.499 173.483 174.900 0.136 0.000 1.009 451 G CA 0.686 45.972 45.100 0.309 0.000 0.625 451 G HN -0.220 8.233 8.290 0.271 0.000 0.501 452 C N 0.985 120.340 119.300 0.093 0.000 3.471 452 C HA 0.331 4.820 4.460 0.050 0.000 0.191 452 C C -1.155 173.859 174.990 0.041 0.000 1.480 452 C CA -0.647 58.400 59.018 0.048 0.000 1.281 452 C CB -0.356 27.394 27.740 0.017 0.000 1.898 452 C HN -0.189 8.033 8.230 0.105 0.071 0.533 453 V N 2.326 122.267 119.914 0.046 0.000 2.655 453 V HA -0.136 4.051 4.120 0.018 -0.056 0.300 453 V C -0.048 176.048 176.094 0.003 0.000 1.044 453 V CA 0.251 62.565 62.300 0.023 0.000 1.095 453 V CB 0.398 32.235 31.823 0.023 0.000 0.952 453 V HN 0.115 8.341 8.190 0.059 0.000 0.485 454 L N 7.415 128.627 121.223 -0.019 0.000 2.584 454 L HA -0.271 4.056 4.340 -0.021 0.000 0.272 454 L C 0.506 177.351 176.870 -0.042 0.000 1.195 454 L CA 1.449 56.267 54.840 -0.036 0.000 0.920 454 L CB -0.294 41.724 42.059 -0.070 0.000 1.173 454 L HN 0.014 8.124 8.230 -0.023 0.106 0.489 455 G N 4.268 113.053 108.800 -0.026 0.000 2.199 455 G HA2 -0.307 3.691 3.960 -0.011 0.000 0.254 455 G HA3 -0.307 3.692 3.960 -0.035 -0.060 0.254 455 G C -0.510 174.388 174.900 -0.004 0.000 0.982 455 G CA 0.648 45.736 45.100 -0.020 0.000 0.632 455 G HN 0.013 8.295 8.290 -0.014 0.000 0.529 456 K N -0.172 120.230 120.400 0.003 0.000 2.363 456 K HA 0.209 4.536 4.320 0.013 0.000 0.215 456 K C -0.132 176.482 176.600 0.023 0.000 1.179 456 K CA 0.277 56.573 56.287 0.014 0.000 0.856 456 K CB 1.384 33.894 32.500 0.016 0.000 1.371 456 K HN -0.257 7.915 8.250 0.001 0.079 0.455 457 A N -2.029 120.807 122.820 0.027 0.000 2.067 457 A HA 0.098 4.612 4.320 0.034 -0.173 0.217 457 A C -0.592 177.011 177.584 0.031 0.000 1.156 457 A CA 1.258 53.314 52.037 0.032 0.000 0.683 457 A CB 1.479 20.499 19.000 0.033 0.000 0.808 457 A HN -0.329 7.837 8.150 0.026 0.000 0.455 458 T N -7.782 106.789 114.554 0.029 0.000 2.864 458 T HA 0.712 5.287 4.350 0.042 -0.200 0.289 458 T C -1.383 173.341 174.700 0.040 0.000 1.082 458 T CA -3.248 58.874 62.100 0.038 0.000 1.009 458 T CB 2.909 71.801 68.868 0.041 0.000 1.234 458 T HN -0.816 7.383 8.240 0.024 0.055 0.526 459 D N -1.145 119.294 120.400 0.065 0.000 2.356 459 D HA -0.116 4.557 4.640 0.055 0.000 0.258 459 D C 0.780 177.105 176.300 0.043 0.000 1.279 459 D CA -1.066 52.980 54.000 0.077 0.000 1.016 459 D CB 0.267 41.145 40.800 0.130 0.000 1.107 459 D HN 0.121 8.539 8.370 0.079 0.000 0.544 460 D N -3.419 116.991 120.400 0.017 0.000 2.352 460 D HA -0.100 4.447 4.640 -0.155 0.000 0.232 460 D C -0.598 175.407 176.300 -0.491 0.000 1.055 460 D CA 1.882 55.764 54.000 -0.197 0.000 0.891 460 D CB -0.757 39.896 40.800 -0.246 0.000 0.897 460 D HN 0.384 8.805 8.370 0.084 0.000 0.529 461 Y N -2.547 117.763 120.300 0.018 0.000 2.675 461 Y HA 0.255 5.002 4.550 -0.019 -0.209 0.248 461 Y C 0.069 175.988 175.900 0.033 0.000 1.161 461 Y CA -1.603 56.500 58.100 0.005 0.000 1.203 461 Y CB 1.060 39.521 38.460 0.001 0.000 1.262 461 Y HN -0.335 8.270 8.280 0.157 -0.230 0.544 462 G N -1.015 107.861 108.800 0.127 0.000 2.143 462 G HA2 -0.430 3.576 3.960 0.076 0.000 0.249 462 G HA3 -0.430 3.744 3.960 0.121 -0.142 0.249 462 G C -0.552 174.452 174.900 0.175 0.000 0.981 462 G CA 0.005 45.178 45.100 0.122 0.000 0.665 462 G HN -0.520 7.856 8.290 0.082 -0.037 0.528 463 R N 0.633 121.262 120.500 0.215 0.000 2.370 463 R HA 0.103 4.691 4.340 0.186 -0.136 0.309 463 R C 0.103 176.437 176.300 0.056 0.000 1.059 463 R CA -0.136 56.066 56.100 0.170 0.000 0.981 463 R CB 0.189 30.605 30.300 0.193 0.000 0.972 463 R HN -0.334 8.317 8.270 0.226 -0.245 0.437 464 V N 5.543 125.445 119.914 -0.019 0.000 2.540 464 V HA -0.256 3.876 4.120 0.019 0.000 0.297 464 V C -0.215 175.914 176.094 0.059 0.000 1.024 464 V CA 0.992 63.296 62.300 0.008 0.000 1.105 464 V CB -0.535 31.264 31.823 -0.041 0.000 0.938 464 V HN 0.205 8.336 8.190 -0.098 0.000 0.482 465 A N 7.669 130.524 122.820 0.059 0.000 2.520 465 A HA -0.181 4.157 4.320 0.031 0.000 0.245 465 A C 0.398 178.013 177.584 0.053 0.000 1.072 465 A CA 1.584 53.647 52.037 0.044 0.000 0.761 465 A CB -0.014 19.005 19.000 0.032 0.000 1.004 465 A HN -0.009 8.171 8.150 0.051 0.000 0.499 466 G N 2.022 110.792 108.800 -0.051 0.000 2.194 466 G HA2 -0.227 3.588 3.960 -0.242 0.000 0.236 466 G HA3 -0.227 3.739 3.960 -0.254 -0.158 0.236 466 G C -0.924 173.605 174.900 -0.618 0.000 0.987 466 G CA 0.231 45.175 45.100 -0.261 0.000 0.635 466 G HN 0.359 8.622 8.290 -0.046 0.000 0.520 467 Y N -1.071 119.221 120.300 -0.013 0.000 2.553 467 Y HA 0.154 4.720 4.550 0.027 0.000 0.347 467 Y C -1.048 174.837 175.900 -0.024 0.000 1.019 467 Y CA -0.929 57.174 58.100 0.005 0.000 1.032 467 Y CB 3.618 42.090 38.460 0.020 0.000 1.284 467 Y HN -0.781 7.446 8.280 0.014 0.061 0.466 468 K N 1.499 121.993 120.400 0.158 0.000 2.138 468 K HA 0.291 4.627 4.320 0.027 0.000 0.263 468 K C -0.342 176.294 176.600 0.061 0.000 0.965 468 K CA -1.019 55.311 56.287 0.071 0.000 0.868 468 K CB 2.306 34.844 32.500 0.063 0.000 1.083 468 K HN 0.531 8.918 8.250 0.228 0.000 0.443 469 N N -0.435 118.191 118.700 -0.123 0.000 2.741 469 N HA -0.433 4.150 4.740 -0.262 0.000 0.250 469 N C -2.486 172.607 175.510 -0.694 0.000 1.115 469 N CA 0.494 53.408 53.050 -0.226 0.000 0.724 469 N CB -0.400 38.202 38.487 0.192 0.000 1.090 469 N HN 0.789 9.104 8.380 -0.109 0.000 0.558 470 L N -1.973 118.634 121.223 -1.026 0.000 2.372 470 L HA 0.686 4.609 4.340 -0.948 -0.152 0.274 470 L C -2.152 174.153 176.870 -0.942 0.000 0.988 470 L CA -0.596 53.681 54.840 -0.940 0.000 0.833 470 L CB 2.628 44.290 42.059 -0.661 0.000 1.236 470 L HN -0.685 6.967 8.230 -0.898 0.039 0.410 471 Y N 3.983 124.059 120.300 -0.375 0.000 2.462 471 Y HA 0.625 5.240 4.550 -0.181 -0.174 0.346 471 Y C -1.052 174.757 175.900 -0.151 0.000 0.976 471 Y CA -2.402 55.527 58.100 -0.284 0.000 1.044 471 Y CB 4.173 42.324 38.460 -0.516 0.000 1.230 471 Y HN 0.746 8.693 8.280 -0.556 0.000 0.455 472 V N 0.509 120.477 119.914 0.090 0.000 2.555 472 V HA 0.428 4.721 4.120 0.063 -0.136 0.302 472 V C -0.240 175.915 176.094 0.102 0.000 1.038 472 V CA -1.130 61.210 62.300 0.068 0.000 0.887 472 V CB 2.687 34.523 31.823 0.021 0.000 0.991 472 V HN 0.557 8.813 8.190 0.110 0.000 0.434 473 T N -0.532 114.078 114.554 0.093 0.000 3.058 473 T HA 0.302 4.702 4.350 0.083 0.000 0.278 473 T C -0.454 174.271 174.700 0.041 0.000 0.974 473 T CA -1.303 60.847 62.100 0.083 0.000 0.893 473 T CB 1.056 69.990 68.868 0.111 0.000 1.138 473 T HN 0.292 8.579 8.240 0.078 0.000 0.529 474 D N 0.419 120.844 120.400 0.042 0.000 2.784 474 D HA 0.162 4.829 4.640 0.045 0.000 0.256 474 D C 0.883 177.210 176.300 0.044 0.000 1.129 474 D CA -1.406 52.621 54.000 0.045 0.000 1.102 474 D CB 1.174 42.005 40.800 0.051 0.000 1.330 474 D HN -0.808 7.588 8.370 0.043 0.000 0.626 475 G N -2.014 106.822 108.800 0.061 0.000 2.498 475 G HA2 -0.289 3.695 3.960 0.039 0.000 0.219 475 G HA3 -0.289 3.717 3.960 0.076 0.000 0.219 475 G C 1.169 176.108 174.900 0.065 0.000 1.119 475 G CA 2.285 47.420 45.100 0.059 0.000 0.766 475 G HN 0.452 8.787 8.290 0.075 0.000 0.552 476 S N 2.728 118.470 115.700 0.070 0.000 2.442 476 S HA -0.251 4.420 4.470 0.125 -0.126 0.236 476 S C 1.431 176.065 174.600 0.055 0.000 1.007 476 S CA 3.360 61.607 58.200 0.078 0.000 0.965 476 S CB -0.432 62.794 63.200 0.043 0.000 0.773 476 S HN -0.364 8.208 8.310 0.062 -0.224 0.504 477 L N -0.129 121.112 121.223 0.031 0.000 2.217 477 L HA -0.036 4.534 4.340 0.013 -0.222 0.211 477 L C 0.059 176.924 176.870 -0.009 0.000 1.107 477 L CA 1.322 56.168 54.840 0.010 0.000 0.783 477 L CB 0.199 42.258 42.059 -0.000 0.000 0.919 477 L HN -0.418 7.784 8.230 0.032 0.046 0.442 478 I N -1.111 119.452 120.570 -0.012 0.000 2.441 478 I HA 0.108 4.240 4.170 -0.063 0.000 0.287 478 I C -1.248 174.840 176.117 -0.049 0.000 1.049 478 I CA -3.388 57.886 61.300 -0.043 0.000 1.381 478 I CB -1.320 36.658 38.000 -0.036 0.000 1.409 478 I HN -0.797 7.373 8.210 0.004 0.042 0.523 479 P HA 0.169 4.576 4.420 -0.022 0.000 0.225 479 P C -0.229 177.037 177.300 -0.056 0.000 1.768 479 P CA -0.443 62.627 63.100 -0.049 0.000 0.943 479 P CB -1.612 30.052 31.700 -0.061 0.000 1.936 480 G N -0.776 107.966 108.800 -0.097 0.000 2.241 480 G HA2 -0.463 3.564 3.960 -0.303 0.000 0.244 480 G HA3 -0.463 3.421 3.960 -0.126 0.000 0.244 480 G C -1.868 172.957 174.900 -0.125 0.000 0.998 480 G CA 0.555 45.554 45.100 -0.169 0.000 0.621 480 G HN 0.383 8.530 8.290 -0.099 0.084 0.519 481 S N -1.745 113.937 115.700 -0.030 0.000 2.548 481 S HA 0.387 5.056 4.470 0.048 -0.170 0.278 481 S C -1.167 173.506 174.600 0.121 0.000 1.150 481 S CA -0.677 57.574 58.200 0.084 0.000 0.907 481 S CB 2.081 65.423 63.200 0.236 0.000 1.108 481 S HN -0.922 7.215 8.310 -0.041 0.148 0.459 482 V N 6.248 126.228 119.914 0.111 0.000 3.398 482 V HA 0.265 4.514 4.120 0.215 0.000 0.298 482 V C -0.461 175.631 176.094 -0.003 0.000 1.496 482 V CA -1.629 60.746 62.300 0.126 0.000 1.044 482 V CB 1.622 33.457 31.823 0.020 0.000 0.880 482 V HN 0.781 9.326 8.190 0.051 -0.323 0.443 483 G N -0.194 108.412 108.800 -0.323 0.000 2.184 483 G HA2 -0.250 2.710 3.960 -1.666 0.000 0.264 483 G HA3 -0.250 2.565 3.960 -1.909 0.000 0.264 483 G C -1.558 172.853 174.900 -0.815 0.000 0.975 483 G CA 0.932 45.272 45.100 -1.268 0.000 0.642 483 G HN -0.548 7.822 8.290 -0.142 -0.165 0.536 484 V N -7.843 111.793 119.914 -0.463 0.000 3.202 484 V HA 0.208 3.960 4.120 -0.613 0.000 0.306 484 V C -2.004 173.857 176.094 -0.389 0.000 1.283 484 V CA -3.236 58.773 62.300 -0.485 0.000 1.065 484 V CB 2.007 33.554 31.823 -0.460 0.000 1.079 484 V HN -0.887 7.015 8.190 -0.352 0.077 0.448 485 N N 1.332 119.767 118.700 -0.442 0.000 2.359 485 N HA -0.009 4.312 4.740 -0.700 0.000 0.261 485 N C -0.528 174.661 175.510 -0.535 0.000 1.267 485 N CA 0.594 53.324 53.050 -0.533 0.000 0.864 485 N CB 0.229 38.454 38.487 -0.436 0.000 1.063 485 N HN 0.106 8.196 8.380 -0.483 0.000 0.474 486 P HA 0.121 4.388 4.420 -0.256 0.000 0.245 486 P C 0.231 177.377 177.300 -0.258 0.000 1.203 486 P CA 1.096 64.004 63.100 -0.320 0.000 0.792 486 P CB 0.643 32.199 31.700 -0.240 0.000 0.997 487 F N -2.093 117.629 119.950 -0.380 0.000 2.234 487 F HA -0.172 4.007 4.527 -0.580 0.000 0.299 487 F C 0.949 176.507 175.800 -0.403 0.000 1.087 487 F CA 2.205 59.838 58.000 -0.611 0.000 1.340 487 F CB -1.561 36.690 39.000 -1.248 0.000 1.031 487 F HN -0.061 7.942 8.300 -0.496 0.000 0.500 488 V N 0.947 120.731 119.914 -0.216 0.000 2.407 488 V HA -0.428 3.798 4.120 0.177 0.000 0.248 488 V C 2.073 178.249 176.094 0.136 0.000 1.055 488 V CA 4.440 66.761 62.300 0.036 0.000 1.049 488 V CB -1.013 30.783 31.823 -0.044 0.000 0.662 488 V HN 0.066 7.928 8.190 -0.546 0.000 0.455 489 T N 3.095 117.720 114.554 0.119 0.000 2.708 489 T HA -0.388 4.169 4.350 0.344 0.000 0.266 489 T C 2.241 176.962 174.700 0.036 0.000 1.037 489 T CA 5.110 67.325 62.100 0.191 0.000 1.146 489 T CB -0.250 68.738 68.868 0.200 0.000 0.865 489 T HN -0.830 7.419 8.240 0.014 0.000 0.435 490 I N 1.529 122.099 120.570 -0.000 0.000 2.163 490 I HA -0.572 3.594 4.170 -0.006 0.000 0.243 490 I C 1.740 177.843 176.117 -0.023 0.000 1.085 490 I CA 4.425 65.719 61.300 -0.011 0.000 1.347 490 I CB -0.445 37.551 38.000 -0.007 0.000 1.044 490 I HN -0.401 7.798 8.210 -0.019 0.000 0.408 491 T N 2.024 116.577 114.554 -0.002 0.000 2.674 491 T HA -0.462 3.862 4.350 -0.044 0.000 0.265 491 T C 1.783 176.438 174.700 -0.074 0.000 1.039 491 T CA 5.082 67.178 62.100 -0.006 0.000 1.150 491 T CB -0.247 68.693 68.868 0.121 0.000 0.864 491 T HN -0.275 7.971 8.240 0.009 0.000 0.427 492 A N 1.901 124.642 122.820 -0.132 0.000 1.898 492 A HA -0.189 4.024 4.320 -0.178 0.000 0.216 492 A C 1.719 179.096 177.584 -0.346 0.000 1.181 492 A CA 2.923 54.769 52.037 -0.318 0.000 0.620 492 A CB -0.505 17.972 19.000 -0.872 0.000 0.819 492 A HN -0.070 8.025 8.150 -0.091 0.000 0.442 493 L N -0.530 120.525 121.223 -0.279 0.000 2.046 493 L HA -0.236 3.945 4.340 -0.264 0.000 0.208 493 L C 1.679 178.432 176.870 -0.195 0.000 1.077 493 L CA 2.541 57.254 54.840 -0.212 0.000 0.747 493 L CB -0.486 41.521 42.059 -0.087 0.000 0.896 493 L HN -0.119 7.970 8.230 -0.235 0.000 0.432 494 A N -1.494 121.240 122.820 -0.144 0.000 1.930 494 A HA -0.376 3.889 4.320 -0.092 0.000 0.217 494 A C 2.082 179.574 177.584 -0.154 0.000 1.175 494 A CA 3.362 55.326 52.037 -0.122 0.000 0.627 494 A CB -0.850 18.085 19.000 -0.108 0.000 0.815 494 A HN -0.089 7.985 8.150 -0.128 0.000 0.443 495 E N -1.577 118.524 120.200 -0.166 0.000 2.051 495 E HA -0.371 3.941 4.350 -0.063 0.000 0.192 495 E C 2.443 178.837 176.600 -0.343 0.000 0.991 495 E CA 3.250 59.577 56.400 -0.121 0.000 0.799 495 E CB -0.279 29.452 29.700 0.052 0.000 0.748 495 E HN -0.335 7.930 8.360 -0.158 0.000 0.449 496 R N -0.809 119.240 120.500 -0.752 0.000 2.083 496 R HA -0.411 2.757 4.340 -1.953 0.000 0.237 496 R C 2.025 178.114 176.300 -0.351 0.000 1.137 496 R CA 3.657 59.082 56.100 -1.124 0.000 0.951 496 R CB -0.105 29.608 30.300 -0.978 0.000 0.851 496 R HN -0.268 7.622 8.270 -0.633 0.000 0.434 497 N N -0.900 117.696 118.700 -0.173 0.000 2.106 497 N HA -0.234 4.650 4.740 0.239 0.000 0.188 497 N C 1.758 177.252 175.510 -0.027 0.000 1.029 497 N CA 2.951 56.020 53.050 0.032 0.000 0.848 497 N CB -0.434 38.069 38.487 0.027 0.000 1.007 497 N HN -0.152 8.093 8.380 -0.225 0.000 0.423 498 V N 1.024 120.891 119.914 -0.078 0.000 2.515 498 V HA -0.398 3.672 4.120 -0.082 0.000 0.250 498 V C 0.925 176.959 176.094 -0.100 0.000 1.058 498 V CA 2.994 65.237 62.300 -0.094 0.000 1.064 498 V CB -0.350 31.392 31.823 -0.135 0.000 0.675 498 V HN -0.078 8.053 8.190 -0.099 0.000 0.461 499 E N 0.320 120.473 120.200 -0.078 0.000 2.077 499 E HA -0.439 3.889 4.350 -0.036 0.000 0.193 499 E C 2.048 178.607 176.600 -0.068 0.000 0.989 499 E CA 3.653 60.032 56.400 -0.036 0.000 0.800 499 E CB -0.182 29.551 29.700 0.055 0.000 0.746 499 E HN -0.607 7.683 8.360 -0.094 0.014 0.452 500 R N -0.993 119.442 120.500 -0.107 0.000 2.083 500 R HA -0.279 3.957 4.340 -0.173 0.000 0.237 500 R C 2.245 178.434 176.300 -0.185 0.000 1.137 500 R CA 2.957 58.933 56.100 -0.206 0.000 0.951 500 R CB -0.515 29.498 30.300 -0.478 0.000 0.851 500 R HN -0.808 7.407 8.270 -0.091 0.000 0.434 501 I N -1.332 119.130 120.570 -0.180 0.000 2.226 501 I HA -0.494 3.570 4.170 -0.176 0.000 0.245 501 I C 2.097 178.115 176.117 -0.165 0.000 1.100 501 I CA 4.481 65.659 61.300 -0.204 0.000 1.374 501 I CB -0.024 37.754 38.000 -0.370 0.000 1.057 501 I HN -0.110 8.002 8.210 -0.163 0.000 0.413 502 I N -2.187 118.295 120.570 -0.146 0.000 2.252 502 I HA -0.545 3.525 4.170 -0.166 0.000 0.245 502 I C 1.564 177.626 176.117 -0.093 0.000 1.102 502 I CA 4.369 65.589 61.300 -0.133 0.000 1.385 502 I CB -0.419 37.508 38.000 -0.121 0.000 1.064 502 I HN 0.283 8.409 8.210 -0.140 0.000 0.414 503 K N -0.839 119.515 120.400 -0.076 0.000 2.063 503 K HA -0.368 3.927 4.320 -0.041 0.000 0.208 503 K C 1.722 178.296 176.600 -0.044 0.000 1.048 503 K CA 2.849 59.105 56.287 -0.052 0.000 0.928 503 K CB -0.254 32.218 32.500 -0.047 0.000 0.713 503 K HN -0.493 7.707 8.250 -0.083 0.000 0.442 504 Q N -4.204 115.562 119.800 -0.057 0.000 2.349 504 Q HA -0.034 4.293 4.340 -0.022 0.000 0.209 504 Q C 1.039 177.041 176.000 0.004 0.000 0.920 504 Q CA 1.925 57.708 55.803 -0.033 0.000 0.901 504 Q CB 0.950 29.652 28.738 -0.060 0.000 1.021 504 Q HN 0.204 8.357 8.270 -0.079 0.070 0.519 505 D N -2.846 117.555 120.400 0.001 0.000 2.455 505 D HA 0.189 4.898 4.640 0.115 0.000 0.228 505 D C -0.841 175.511 176.300 0.087 0.000 1.070 505 D CA 1.378 55.426 54.000 0.080 0.000 0.881 505 D CB 2.573 43.456 40.800 0.137 0.000 1.087 505 D HN 0.033 8.272 8.370 -0.040 0.107 0.498 506 V N -2.472 117.404 119.914 -0.064 0.000 2.769 506 V HA 0.036 4.052 4.120 -0.174 0.000 0.312 506 V C -0.703 175.388 176.094 -0.005 0.000 1.058 506 V CA -1.182 61.003 62.300 -0.191 0.000 0.952 506 V CB 1.399 32.928 31.823 -0.489 0.000 1.019 506 V HN -0.650 7.495 8.190 -0.075 0.000 0.445 507 T N 0.000 114.625 114.554 0.118 0.000 3.816 507 T HA 0.000 3.979 4.350 -0.618 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658