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 2vg4_1_D DATA FIRST_RESID 14 DATA SEQUENCE PQLPPAPDDY PTFPDTSTWP VVFPELPAAP YGGPCRPPQH TSKAAAPRIP DATA SEQUENCE ADRLPNHVAI VMDGNGRWAT QRGLARTEGH KMGEAVVIDI ACGAIELGIK DATA SEQUENCE WLSLYAFSTE NWKRSPEEVR FLMGFNRDVV RRRRDTLKKL GVRIRWVGSR DATA SEQUENCE PRLWRSVINE LAVAEEMTKS NDVITINYCV NYGGRTEITE ATREIAREVA DATA SEQUENCE AGRLNPERIT ESTIARHLQR PDIPDVDLFL RTSGEQRSSN FMLWQAAYAE DATA SEQUENCE YIFQDKLWPD YDRRDLWAAC EEYASRTRRF GSA 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 14 P HA 0.000 4.412 4.420 -0.014 0.000 0.216 14 P C 0.000 177.280 177.300 -0.033 0.000 1.155 14 P CA 0.000 63.088 63.100 -0.021 0.000 0.800 14 P CB 0.000 31.692 31.700 -0.013 0.000 0.726 15 Q N -0.389 119.379 119.800 -0.054 0.000 2.432 15 Q HA -0.114 4.253 4.340 -0.072 -0.071 0.264 15 Q C 0.173 176.129 176.000 -0.074 0.000 1.035 15 Q CA 0.261 56.015 55.803 -0.082 0.000 0.908 15 Q CB 0.424 29.078 28.738 -0.140 0.000 1.280 15 Q HN -0.255 7.980 8.270 -0.058 0.000 0.455 16 L N 3.158 124.337 121.223 -0.072 0.000 2.455 16 L HA 0.093 4.398 4.340 -0.059 0.000 0.272 16 L C -1.402 175.416 176.870 -0.087 0.000 1.174 16 L CA -1.420 53.380 54.840 -0.066 0.000 0.869 16 L CB -0.430 41.600 42.059 -0.047 0.000 1.130 16 L HN -0.151 7.934 8.230 -0.068 0.104 0.474 17 P HA 0.198 4.569 4.420 -0.081 0.000 0.269 17 P C -2.067 175.183 177.300 -0.083 0.000 1.215 17 P CA -1.537 61.515 63.100 -0.080 0.000 0.780 17 P CB -0.261 31.397 31.700 -0.070 0.000 0.898 18 P HA -0.185 4.204 4.420 -0.052 0.000 0.259 18 P C -0.735 176.534 177.300 -0.051 0.000 1.163 18 P CA 0.566 63.634 63.100 -0.053 0.000 0.760 18 P CB -0.116 31.560 31.700 -0.039 0.000 0.762 19 A N 6.012 128.813 122.820 -0.032 0.000 2.466 19 A HA 0.012 4.240 4.320 -0.153 0.000 0.238 19 A C -1.814 175.765 177.584 -0.008 0.000 1.074 19 A CA -1.182 50.822 52.037 -0.055 0.000 0.774 19 A CB -0.251 18.775 19.000 0.043 0.000 1.015 19 A HN 0.113 8.260 8.150 -0.005 0.000 0.498 20 P HA -0.047 4.384 4.420 0.019 0.000 0.265 20 P C -0.318 177.040 177.300 0.095 0.000 1.193 20 P CA -0.561 62.566 63.100 0.045 0.000 0.765 20 P CB 0.471 32.216 31.700 0.075 0.000 0.823 21 D N 0.780 121.218 120.400 0.064 0.000 2.265 21 D HA -0.341 4.339 4.640 0.067 0.000 0.208 21 D C 1.053 177.395 176.300 0.071 0.000 0.977 21 D CA 3.212 57.250 54.000 0.062 0.000 0.871 21 D CB -0.088 40.736 40.800 0.040 0.000 0.925 21 D HN 0.383 8.781 8.370 0.046 0.000 0.485 22 D N -3.896 116.552 120.400 0.081 0.000 2.240 22 D HA -0.170 4.496 4.640 0.043 0.000 0.206 22 D C -0.525 175.829 176.300 0.089 0.000 0.963 22 D CA 0.306 54.347 54.000 0.068 0.000 0.863 22 D CB 0.331 41.164 40.800 0.056 0.000 0.973 22 D HN -0.224 8.163 8.370 0.086 0.034 0.501 23 Y N 1.921 122.223 120.300 0.003 0.000 2.944 23 Y HA -0.314 4.233 4.550 -0.004 0.000 0.340 23 Y C -2.151 173.747 175.900 -0.003 0.000 1.275 23 Y CA -0.609 57.492 58.100 0.001 0.000 1.590 23 Y CB -0.176 38.291 38.460 0.011 0.000 1.218 23 Y HN -0.785 7.547 8.280 0.266 0.108 0.576 24 P HA -0.150 4.137 4.420 -0.222 0.000 0.270 24 P C -1.536 175.674 177.300 -0.149 0.000 1.181 24 P CA 0.637 63.547 63.100 -0.317 0.000 0.767 24 P CB 0.565 31.962 31.700 -0.505 0.000 0.799 25 T N -4.971 109.527 114.554 -0.094 0.000 2.942 25 T HA 0.372 4.930 4.350 0.038 -0.185 0.289 25 T C -0.969 173.754 174.700 0.039 0.000 1.044 25 T CA -1.572 60.520 62.100 -0.014 0.000 1.023 25 T CB 3.350 72.193 68.868 -0.042 0.000 1.123 25 T HN -0.250 7.922 8.240 -0.113 0.000 0.512 26 F N -0.312 119.576 119.950 -0.104 0.000 2.688 26 F HA 0.400 4.869 4.527 -0.096 0.000 0.308 26 F C -3.493 172.258 175.800 -0.082 0.000 1.117 26 F CA -1.843 56.109 58.000 -0.078 0.000 0.976 26 F CB 3.413 42.400 39.000 -0.022 0.000 1.291 26 F HN -0.115 8.253 8.300 0.114 0.000 0.439 27 P HA 0.255 3.108 4.420 -2.610 0.000 0.286 27 P C -2.570 174.343 177.300 -0.646 0.000 1.292 27 P CA -1.002 61.256 63.100 -1.403 0.000 0.842 27 P CB 1.812 32.787 31.700 -1.208 0.000 1.207 28 D N -2.199 117.866 120.400 -0.558 0.000 2.412 28 D HA 0.170 4.671 4.640 -0.232 0.000 0.276 28 D C -0.613 175.576 176.300 -0.185 0.000 1.196 28 D CA -0.816 53.021 54.000 -0.271 0.000 0.905 28 D CB 0.587 41.278 40.800 -0.183 0.000 1.081 28 D HN 0.307 8.267 8.370 -0.683 0.000 0.502 29 T N 5.100 119.567 114.554 -0.145 0.000 3.406 29 T HA 0.063 4.526 4.350 -0.024 -0.128 0.244 29 T C 0.405 175.112 174.700 0.011 0.000 0.949 29 T CA -0.734 61.340 62.100 -0.043 0.000 0.926 29 T CB -1.182 67.673 68.868 -0.021 0.000 1.089 29 T HN 0.243 8.387 8.240 -0.161 0.000 0.604 30 S N -0.125 115.571 115.700 -0.007 0.000 2.593 30 S HA 0.088 4.577 4.470 0.032 0.000 0.217 30 S C -0.108 174.522 174.600 0.050 0.000 0.966 30 S CA 0.420 58.632 58.200 0.020 0.000 0.914 30 S CB 0.448 63.647 63.200 -0.002 0.000 0.776 30 S HN -0.287 8.080 8.310 -0.037 -0.079 0.523 31 T N 2.505 117.096 114.554 0.061 0.000 2.916 31 T HA 0.195 4.615 4.350 0.115 0.000 0.292 31 T C -2.634 172.188 174.700 0.202 0.000 1.055 31 T CA -0.576 61.584 62.100 0.101 0.000 1.009 31 T CB 1.979 70.873 68.868 0.043 0.000 1.118 31 T HN -0.682 7.508 8.240 0.039 0.073 0.497 32 W N 2.440 123.766 121.300 0.044 0.000 3.326 32 W HA 0.300 5.091 4.660 0.073 -0.087 0.333 32 W C -2.111 174.460 176.519 0.086 0.000 1.108 32 W CA -1.816 55.571 57.345 0.070 0.000 1.245 32 W CB 2.352 31.857 29.460 0.076 0.000 1.331 32 W HN 0.130 8.485 8.180 0.292 0.000 0.464 33 P HA 0.105 3.514 4.420 -1.686 0.000 0.275 33 P C -1.522 175.588 177.300 -0.316 0.000 1.227 33 P CA -0.649 61.886 63.100 -0.942 0.000 0.781 33 P CB 0.748 31.953 31.700 -0.826 0.000 0.906 34 V N 2.685 122.466 119.914 -0.221 0.000 3.061 34 V HA -0.214 3.872 4.120 -0.057 0.000 0.306 34 V C 0.169 176.272 176.094 0.014 0.000 1.118 34 V CA 1.630 63.885 62.300 -0.074 0.000 1.231 34 V CB 0.520 32.278 31.823 -0.108 0.000 0.956 34 V HN 0.463 8.487 8.190 -0.275 0.000 0.499 35 V N 3.360 123.307 119.914 0.055 0.000 2.581 35 V HA 0.155 4.355 4.120 0.134 0.000 0.303 35 V C -1.100 175.168 176.094 0.289 0.000 1.041 35 V CA -1.065 61.314 62.300 0.131 0.000 0.907 35 V CB 1.233 33.093 31.823 0.060 0.000 0.994 35 V HN 0.156 8.351 8.190 0.008 0.000 0.442 36 F N 5.946 125.994 119.950 0.164 0.000 2.385 36 F HA 0.287 5.029 4.527 0.359 0.000 0.336 36 F C -1.274 174.573 175.800 0.078 0.000 1.100 36 F CA -3.050 55.054 58.000 0.174 0.000 1.116 36 F CB 1.663 40.673 39.000 0.018 0.000 1.166 36 F HN -0.078 8.444 8.300 0.370 0.000 0.511 37 P HA 0.100 4.404 4.420 -0.192 0.000 0.274 37 P C -1.818 175.347 177.300 -0.225 0.000 1.237 37 P CA -0.929 61.952 63.100 -0.366 0.000 0.793 37 P CB 0.828 32.241 31.700 -0.479 0.000 0.977 38 E N 1.052 121.189 120.200 -0.106 0.000 2.217 38 E HA -0.048 4.317 4.350 0.025 0.000 0.279 38 E C -1.283 175.263 176.600 -0.091 0.000 1.068 38 E CA -0.133 56.244 56.400 -0.039 0.000 0.882 38 E CB -0.060 29.628 29.700 -0.019 0.000 1.039 38 E HN 0.115 8.417 8.360 -0.097 0.000 0.418 39 L N 7.021 128.222 121.223 -0.036 0.000 2.334 39 L HA 0.410 4.656 4.340 -0.156 0.000 0.277 39 L C -1.678 175.208 176.870 0.026 0.000 1.075 39 L CA -3.251 51.560 54.840 -0.047 0.000 0.804 39 L CB 0.037 42.123 42.059 0.044 0.000 1.174 39 L HN 0.014 8.267 8.230 0.039 0.000 0.438 40 P HA 0.180 4.625 4.420 0.042 0.000 0.286 40 P C -0.444 176.907 177.300 0.086 0.000 1.261 40 P CA -0.716 62.419 63.100 0.059 0.000 0.821 40 P CB 0.415 32.150 31.700 0.057 0.000 1.013 41 A N 3.435 126.296 122.820 0.068 0.000 2.259 41 A HA -0.383 3.980 4.320 0.072 0.000 0.287 41 A C -0.262 177.369 177.584 0.079 0.000 3.655 41 A CA 1.866 53.946 52.037 0.071 0.000 1.024 41 A CB -0.888 18.147 19.000 0.058 0.000 0.527 41 A HN 0.234 8.419 8.150 0.057 0.000 0.443 42 A N -3.266 119.594 122.820 0.067 0.000 2.301 42 A HA -0.121 4.217 4.320 0.031 0.000 0.283 42 A C -2.751 174.859 177.584 0.043 0.000 1.419 42 A CA -0.235 51.831 52.037 0.049 0.000 0.730 42 A CB -1.374 17.666 19.000 0.067 0.000 1.161 42 A HN 0.071 8.258 8.150 0.061 0.000 0.356 43 P HA 0.328 4.844 4.420 0.116 -0.026 0.292 43 P C -0.991 176.250 177.300 -0.097 0.000 1.300 43 P CA -1.236 61.867 63.100 0.006 0.000 0.900 43 P CB 0.831 32.486 31.700 -0.075 0.000 1.139 44 Y N 0.660 120.961 120.300 0.002 0.000 2.627 44 Y HA 0.140 4.693 4.550 0.005 0.000 0.339 44 Y C 0.688 176.589 175.900 0.001 0.000 1.137 44 Y CA -1.155 56.947 58.100 0.002 0.000 1.361 44 Y CB -0.726 37.734 38.460 0.000 0.000 1.180 44 Y HN 0.141 8.390 8.280 -0.052 0.000 0.512 45 G N -2.023 106.847 108.800 0.116 0.000 2.807 45 G HA2 -0.222 3.765 3.960 0.045 0.000 0.207 45 G HA3 -0.222 3.778 3.960 0.067 0.000 0.207 45 G C 0.435 175.371 174.900 0.060 0.000 1.151 45 G CA 0.363 45.505 45.100 0.069 0.000 0.800 45 G HN -0.657 7.581 8.290 0.082 0.101 0.523 46 G N 0.875 109.720 108.800 0.074 0.000 2.793 46 G HA2 -0.363 3.618 3.960 0.035 0.000 0.334 46 G HA3 -0.363 3.627 3.960 0.050 0.000 0.334 46 G C -1.927 172.998 174.900 0.042 0.000 1.186 46 G CA -0.314 44.815 45.100 0.049 0.000 0.960 46 G HN -0.065 8.203 8.290 0.101 0.082 0.562 47 P HA -0.150 4.514 4.420 0.023 -0.230 0.254 47 P C -0.395 176.935 177.300 0.050 0.000 1.186 47 P CA -0.036 63.081 63.100 0.027 0.000 0.868 47 P CB -0.763 30.943 31.700 0.011 0.000 0.856 48 C N 4.782 124.127 119.300 0.075 0.000 2.679 48 C HA -0.257 4.268 4.460 0.109 0.000 0.417 48 C C 0.425 175.498 174.990 0.138 0.000 1.302 48 C CA 0.173 59.262 59.018 0.118 0.000 1.973 48 C CB 0.871 28.702 27.740 0.151 0.000 2.715 48 C HN -0.272 8.000 8.230 0.070 0.000 0.628 49 R N 2.303 122.895 120.500 0.153 0.000 2.640 49 R HA -0.110 4.273 4.340 0.071 0.000 0.270 49 R C -2.075 174.393 176.300 0.279 0.000 1.024 49 R CA -0.224 55.953 56.100 0.128 0.000 1.085 49 R CB 0.310 30.551 30.300 -0.098 0.000 0.963 49 R HN 0.395 8.752 8.270 0.145 0.000 0.426 50 P HA 0.185 4.773 4.420 0.281 0.000 0.276 50 P C -2.431 175.069 177.300 0.333 0.000 1.230 50 P CA -1.569 61.687 63.100 0.259 0.000 0.776 50 P CB -0.343 31.466 31.700 0.182 0.000 0.888 51 P HA -0.187 4.316 4.420 0.139 0.000 0.265 51 P C -0.386 177.055 177.300 0.236 0.000 1.193 51 P CA -0.237 62.945 63.100 0.137 0.000 0.765 51 P CB 0.772 32.369 31.700 -0.171 0.000 0.823 52 Q N 2.229 122.200 119.800 0.286 0.000 2.616 52 Q HA -0.314 4.206 4.340 0.301 0.000 0.269 52 Q C -0.191 175.970 176.000 0.268 0.000 1.148 52 Q CA 1.158 57.127 55.803 0.278 0.000 1.003 52 Q CB 0.906 29.790 28.738 0.242 0.000 1.322 52 Q HN -0.215 8.259 8.270 0.339 0.000 0.518 53 H N -0.346 118.836 119.070 0.187 0.000 2.490 53 H HA 0.284 5.114 4.556 0.161 -0.178 0.354 53 H C 1.799 177.182 175.328 0.092 0.000 1.365 53 H CA -0.170 55.967 56.048 0.148 0.000 1.413 53 H CB 1.628 31.476 29.762 0.143 0.000 1.631 53 H HN 0.321 8.834 8.280 0.388 0.000 0.607 54 T N 1.910 115.965 114.554 -0.833 0.000 2.896 54 T HA -0.111 4.082 4.350 -0.262 0.000 0.263 54 T C 0.775 175.377 174.700 -0.163 0.000 1.050 54 T CA 2.879 64.705 62.100 -0.457 0.000 1.140 54 T CB 0.315 68.865 68.868 -0.530 0.000 0.877 54 T HN 0.397 7.364 8.240 -2.122 0.000 0.457 55 S N -0.843 114.867 115.700 0.018 0.000 2.710 55 S HA 0.055 4.571 4.470 0.077 0.000 0.224 55 S C -0.568 174.151 174.600 0.198 0.000 0.948 55 S CA -0.448 57.846 58.200 0.156 0.000 0.949 55 S CB -0.251 63.076 63.200 0.211 0.000 0.778 55 S HN -0.642 7.722 8.310 0.090 0.000 0.498 56 K N -3.034 117.483 120.400 0.194 0.000 3.010 56 K HA -0.480 4.051 4.320 0.218 -0.080 0.255 56 K C -0.329 176.401 176.600 0.217 0.000 0.929 56 K CA 0.705 57.108 56.287 0.194 0.000 0.687 56 K CB -3.061 29.509 32.500 0.117 0.000 1.304 56 K HN -0.603 7.529 8.250 0.144 0.204 0.479 57 A N -1.345 121.657 122.820 0.304 0.000 2.364 57 A HA -0.177 4.267 4.320 0.207 0.000 0.258 57 A C -0.797 176.928 177.584 0.235 0.000 1.131 57 A CA 0.514 52.724 52.037 0.289 0.000 0.800 57 A CB 0.818 20.056 19.000 0.396 0.000 1.086 57 A HN -0.070 8.296 8.150 0.388 0.016 0.508 58 A N -1.769 121.095 122.820 0.075 0.000 2.398 58 A HA 0.178 4.386 4.320 -0.186 0.000 0.301 58 A C -1.175 176.046 177.584 -0.606 0.000 1.041 58 A CA -0.738 51.183 52.037 -0.194 0.000 0.711 58 A CB 2.102 21.038 19.000 -0.107 0.000 1.240 58 A HN 0.006 8.214 8.150 0.097 0.000 0.420 59 A N 4.303 126.472 122.820 -1.086 0.000 2.561 59 A HA 0.032 3.030 4.320 -2.204 0.000 0.234 59 A C -1.664 175.551 177.584 -0.615 0.000 1.055 59 A CA -0.995 50.205 52.037 -1.394 0.000 0.756 59 A CB -0.802 17.510 19.000 -1.147 0.000 0.986 59 A HN 0.226 7.828 8.150 -0.915 0.000 0.505 60 P HA 0.026 4.352 4.420 -0.157 0.000 0.275 60 P C -1.129 176.082 177.300 -0.148 0.000 1.228 60 P CA -0.598 62.388 63.100 -0.190 0.000 0.786 60 P CB 0.821 32.474 31.700 -0.079 0.000 0.927 61 R N 1.879 122.322 120.500 -0.095 0.000 2.459 61 R HA -0.174 4.283 4.340 -0.079 -0.164 0.301 61 R C -0.645 175.634 176.300 -0.034 0.000 1.286 61 R CA 0.386 56.447 56.100 -0.066 0.000 1.046 61 R CB -0.648 29.621 30.300 -0.051 0.000 1.071 61 R HN 0.337 8.557 8.270 -0.083 0.000 0.512 62 I N 6.101 126.654 120.570 -0.027 0.000 2.362 62 I HA 0.214 4.392 4.170 0.014 0.000 0.289 62 I C -2.063 174.064 176.117 0.017 0.000 0.994 62 I CA -3.536 57.770 61.300 0.009 0.000 1.158 62 I CB 1.627 39.646 38.000 0.032 0.000 1.315 62 I HN -0.499 7.686 8.210 -0.041 0.000 0.451 63 P HA -0.135 4.295 4.420 0.017 0.000 0.261 63 P C -0.504 176.821 177.300 0.042 0.000 1.158 63 P CA 0.181 63.297 63.100 0.026 0.000 0.758 63 P CB 0.819 32.535 31.700 0.028 0.000 0.763 64 A N 2.656 125.497 122.820 0.035 0.000 2.239 64 A HA -0.193 4.157 4.320 0.050 0.000 0.209 64 A C -0.162 177.459 177.584 0.061 0.000 1.171 64 A CA 1.532 53.596 52.037 0.045 0.000 0.768 64 A CB -0.503 18.515 19.000 0.030 0.000 0.790 64 A HN 0.332 8.497 8.150 0.025 0.000 0.478 65 D N -6.805 113.631 120.400 0.060 0.000 2.407 65 D HA 0.000 4.686 4.640 0.077 0.000 0.208 65 D C 0.323 176.677 176.300 0.090 0.000 1.083 65 D CA 0.130 54.171 54.000 0.069 0.000 0.844 65 D CB 0.015 40.841 40.800 0.045 0.000 0.967 65 D HN -0.168 8.169 8.370 0.050 0.063 0.506 66 R N -2.683 117.874 120.500 0.094 0.000 2.362 66 R HA 0.219 4.614 4.340 0.092 0.000 0.227 66 R C -1.048 175.397 176.300 0.242 0.000 0.905 66 R CA -1.396 54.773 56.100 0.114 0.000 1.067 66 R CB 0.574 30.912 30.300 0.063 0.000 1.078 66 R HN -0.597 7.602 8.270 0.080 0.120 0.516 67 L N 0.218 121.568 121.223 0.210 0.000 2.307 67 L HA 0.276 4.755 4.340 0.233 0.000 0.282 67 L C -2.257 174.727 176.870 0.191 0.000 1.051 67 L CA -3.514 51.447 54.840 0.202 0.000 0.804 67 L CB 1.773 43.897 42.059 0.108 0.000 1.197 67 L HN -0.856 7.410 8.230 0.157 0.059 0.431 68 P HA 0.049 4.369 4.420 -0.167 0.000 0.271 68 P C -1.317 175.990 177.300 0.012 0.000 1.220 68 P CA -0.734 62.256 63.100 -0.184 0.000 0.768 68 P CB 1.129 32.516 31.700 -0.522 0.000 0.848 69 N N 1.304 120.054 118.700 0.083 0.000 2.333 69 N HA -0.197 4.637 4.740 0.158 0.000 0.178 69 N C -1.164 174.507 175.510 0.267 0.000 1.018 69 N CA 0.896 54.045 53.050 0.165 0.000 0.882 69 N CB 1.528 40.113 38.487 0.163 0.000 0.984 69 N HN -0.013 8.564 8.380 0.086 -0.145 0.434 70 H N -2.189 116.915 119.070 0.056 0.000 3.078 70 H HA 0.301 5.118 4.556 0.194 -0.144 0.319 70 H C -2.012 173.309 175.328 -0.013 0.000 0.995 70 H CA -1.689 54.400 56.048 0.069 0.000 1.417 70 H CB 1.846 31.582 29.762 -0.043 0.000 1.598 70 H HN -0.576 7.969 8.280 0.156 -0.170 0.515 71 V N 7.719 127.710 119.914 0.128 0.000 2.394 71 V HA 0.515 4.728 4.120 -0.146 -0.181 0.282 71 V C -1.748 174.294 176.094 -0.088 0.000 1.031 71 V CA -1.505 60.766 62.300 -0.048 0.000 0.881 71 V CB 0.601 32.432 31.823 0.012 0.000 0.982 71 V HN -0.037 8.317 8.190 0.272 0.000 0.451 72 A N 7.905 130.579 122.820 -0.244 0.000 2.350 72 A HA 0.857 5.292 4.320 -0.090 -0.169 0.324 72 A C -2.103 175.320 177.584 -0.269 0.000 1.118 72 A CA -2.273 49.632 52.037 -0.219 0.000 0.783 72 A CB 3.621 22.389 19.000 -0.386 0.000 1.236 72 A HN 0.405 8.387 8.150 -0.280 0.000 0.457 73 I N 0.450 120.958 120.570 -0.104 0.000 2.569 73 I HA 0.420 4.513 4.170 -0.429 -0.181 0.290 73 I C -1.498 174.380 176.117 -0.397 0.000 1.088 73 I CA -1.211 59.909 61.300 -0.300 0.000 1.047 73 I CB 3.922 41.771 38.000 -0.252 0.000 1.237 73 I HN 0.070 8.335 8.210 0.093 0.000 0.421 74 V N 5.656 125.300 119.914 -0.449 0.000 2.383 74 V HA 0.170 3.965 4.120 -0.542 0.000 0.275 74 V C -0.532 175.265 176.094 -0.494 0.000 1.036 74 V CA -0.503 61.538 62.300 -0.431 0.000 0.889 74 V CB 0.714 32.447 31.823 -0.150 0.000 0.985 74 V HN -0.132 7.801 8.190 -0.428 0.000 0.459 75 M N 8.676 127.864 119.600 -0.687 0.000 3.396 75 M HA 0.033 3.818 4.480 -1.160 0.000 0.255 75 M C -0.916 175.024 176.300 -0.600 0.000 1.398 75 M CA -0.584 54.086 55.300 -1.050 0.000 1.554 75 M CB -1.403 30.189 32.600 -1.680 0.000 1.070 75 M HN 0.447 8.345 8.290 -0.654 0.000 0.587 76 D N 2.101 122.315 120.400 -0.310 0.000 2.433 76 D HA 0.066 4.601 4.640 -0.176 0.000 0.255 76 D C 1.261 177.547 176.300 -0.023 0.000 1.226 76 D CA -0.010 53.901 54.000 -0.148 0.000 1.015 76 D CB 1.967 42.716 40.800 -0.084 0.000 1.091 76 D HN -0.513 7.692 8.370 -0.275 0.000 0.527 77 G N -1.326 107.472 108.800 -0.003 0.000 2.176 77 G HA2 -0.413 3.619 3.960 0.121 0.000 0.253 77 G HA3 -0.413 3.587 3.960 0.066 0.000 0.253 77 G C 0.748 175.690 174.900 0.069 0.000 0.979 77 G CA 1.409 46.551 45.100 0.071 0.000 0.641 77 G HN 0.435 8.707 8.290 -0.029 0.000 0.530 78 N N 0.679 119.340 118.700 -0.064 0.000 2.309 78 N HA -0.251 4.411 4.740 -0.130 0.000 0.182 78 N C 1.648 177.062 175.510 -0.160 0.000 1.018 78 N CA 2.893 55.807 53.050 -0.226 0.000 0.876 78 N CB -0.148 37.908 38.487 -0.718 0.000 0.972 78 N HN 0.080 8.334 8.380 -0.106 0.062 0.434 79 G N 0.393 109.136 108.800 -0.095 0.000 2.813 79 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.208 79 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.208 79 G C 1.076 176.008 174.900 0.054 0.000 1.395 79 G CA 1.603 46.700 45.100 -0.006 0.000 0.849 79 G HN 0.093 8.313 8.290 -0.099 0.011 0.617 80 R N 1.243 121.773 120.500 0.049 0.000 2.224 80 R HA -0.428 3.923 4.340 0.020 0.000 0.251 80 R C 1.925 178.275 176.300 0.084 0.000 1.123 80 R CA 3.094 59.225 56.100 0.051 0.000 0.944 80 R CB -0.454 29.877 30.300 0.050 0.000 0.910 80 R HN 0.031 8.321 8.270 0.033 0.000 0.440 81 W N -0.750 120.527 121.300 -0.038 0.000 2.290 81 W HA -0.405 4.420 4.660 -0.020 -0.177 0.328 81 W C 2.195 178.688 176.519 -0.043 0.000 1.272 81 W CA 3.443 60.770 57.345 -0.031 0.000 1.262 81 W CB -0.460 28.985 29.460 -0.025 0.000 1.151 81 W HN -0.634 7.718 8.180 0.293 0.004 0.473 82 A N -3.882 119.133 122.820 0.324 0.000 1.930 82 A HA -0.269 4.062 4.320 0.018 0.000 0.217 82 A C 1.868 179.414 177.584 -0.062 0.000 1.175 82 A CA 2.992 55.106 52.037 0.128 0.000 0.627 82 A CB -0.861 18.263 19.000 0.207 0.000 0.815 82 A HN -0.395 8.010 8.150 0.426 0.000 0.443 83 T N 0.412 114.950 114.554 -0.028 0.000 3.007 83 T HA -0.192 4.127 4.350 -0.051 0.000 0.270 83 T C 1.927 176.573 174.700 -0.091 0.000 1.107 83 T CA 3.715 65.784 62.100 -0.051 0.000 1.118 83 T CB -0.150 68.703 68.868 -0.024 0.000 0.889 83 T HN -0.575 7.595 8.240 0.016 0.080 0.506 84 Q N -0.763 118.952 119.800 -0.141 0.000 2.403 84 Q HA -0.034 4.235 4.340 -0.120 0.000 0.203 84 Q C 0.811 176.689 176.000 -0.204 0.000 0.932 84 Q CA 1.692 57.396 55.803 -0.164 0.000 0.945 84 Q CB 0.143 28.765 28.738 -0.193 0.000 1.045 84 Q HN -0.221 7.911 8.270 -0.163 0.040 0.511 85 R N -2.424 117.942 120.500 -0.224 0.000 2.549 85 R HA 0.204 4.412 4.340 -0.220 0.000 0.361 85 R C -0.293 175.913 176.300 -0.156 0.000 0.969 85 R CA -0.246 55.710 56.100 -0.239 0.000 1.158 85 R CB 0.651 30.714 30.300 -0.394 0.000 1.456 85 R HN -0.289 7.680 8.270 -0.199 0.182 0.540 86 G N -0.051 108.678 108.800 -0.117 0.000 2.198 86 G HA2 -0.378 3.534 3.960 -0.080 0.000 0.260 86 G HA3 -0.378 3.538 3.960 -0.073 0.000 0.260 86 G C -0.396 174.457 174.900 -0.079 0.000 1.025 86 G CA 0.705 45.754 45.100 -0.085 0.000 0.769 86 G HN -0.026 8.195 8.290 -0.115 0.000 0.507 87 L N -0.354 120.820 121.223 -0.082 0.000 2.344 87 L HA 0.197 4.497 4.340 -0.066 0.000 0.272 87 L C -0.546 176.292 176.870 -0.054 0.000 1.035 87 L CA -1.251 53.552 54.840 -0.061 0.000 0.807 87 L CB 1.227 43.268 42.059 -0.029 0.000 1.237 87 L HN -0.661 7.478 8.230 -0.096 0.033 0.442 88 A N 0.242 123.017 122.820 -0.075 0.000 2.531 88 A HA -0.073 4.201 4.320 -0.076 0.000 0.236 88 A C 1.237 178.781 177.584 -0.067 0.000 1.062 88 A CA 0.530 52.512 52.037 -0.092 0.000 0.760 88 A CB 0.451 19.358 19.000 -0.154 0.000 0.995 88 A HN 0.235 8.333 8.150 -0.087 0.000 0.501 89 R N 1.046 121.522 120.500 -0.040 0.000 2.285 89 R HA -0.295 4.068 4.340 0.037 0.000 0.213 89 R C 0.513 176.849 176.300 0.060 0.000 1.068 89 R CA 2.033 58.143 56.100 0.017 0.000 1.004 89 R CB -0.546 29.773 30.300 0.032 0.000 0.873 89 R HN 0.437 8.681 8.270 -0.044 0.000 0.467 90 T N -6.583 107.917 114.554 -0.090 0.000 3.148 90 T HA 0.029 4.470 4.350 0.152 0.000 0.253 90 T C 0.391 174.913 174.700 -0.297 0.000 1.134 90 T CA 1.720 63.657 62.100 -0.272 0.000 1.051 90 T CB -0.503 67.707 68.868 -1.096 0.000 0.959 90 T HN -0.093 7.995 8.240 -0.172 0.049 0.525 91 E N 1.588 121.698 120.200 -0.151 0.000 2.166 91 E HA 0.059 4.268 4.350 -0.235 0.000 0.192 91 E C 1.892 178.469 176.600 -0.038 0.000 0.967 91 E CA 2.124 58.447 56.400 -0.128 0.000 0.840 91 E CB -0.186 29.477 29.700 -0.061 0.000 0.795 91 E HN -0.244 7.881 8.360 -0.092 0.181 0.470 92 G N -0.881 107.948 108.800 0.048 0.000 2.448 92 G HA2 -0.238 3.913 3.960 0.025 0.000 0.219 92 G HA3 -0.238 3.523 3.960 -0.331 0.000 0.219 92 G C 1.317 176.092 174.900 -0.208 0.000 1.127 92 G CA 1.806 46.845 45.100 -0.101 0.000 0.766 92 G HN -0.060 8.286 8.290 0.094 0.000 0.552 93 H N 0.158 119.205 119.070 -0.037 0.000 2.389 93 H HA -0.126 4.605 4.556 0.075 -0.130 0.299 93 H C 1.079 176.381 175.328 -0.043 0.000 1.081 93 H CA 3.029 59.074 56.048 -0.005 0.000 1.345 93 H CB 0.110 29.887 29.762 0.025 0.000 1.393 93 H HN -0.564 7.714 8.280 0.032 0.021 0.520 94 K N -1.631 118.784 120.400 0.025 0.000 2.025 94 K HA -0.188 4.415 4.320 0.471 0.000 0.207 94 K C 2.781 179.673 176.600 0.486 0.000 1.049 94 K CA 2.290 58.754 56.287 0.294 0.000 0.933 94 K CB 0.122 32.524 32.500 -0.164 0.000 0.714 94 K HN -0.794 7.344 8.250 -0.019 0.100 0.438 95 M N -2.993 116.646 119.600 0.065 0.000 2.374 95 M HA -0.082 4.468 4.480 0.117 0.000 0.264 95 M C 1.141 177.380 176.300 -0.102 0.000 1.067 95 M CA 0.992 56.244 55.300 -0.079 0.000 1.103 95 M CB -0.158 32.100 32.600 -0.570 0.000 1.402 95 M HN -0.473 7.758 8.290 -0.100 0.000 0.444 96 G N -2.933 105.858 108.800 -0.014 0.000 3.727 96 G HA2 0.111 4.191 3.960 0.200 0.000 0.301 96 G HA3 0.111 3.995 3.960 -0.127 0.000 0.301 96 G C -1.673 173.459 174.900 0.387 0.000 1.128 96 G CA -0.259 44.895 45.100 0.091 0.000 1.545 96 G HN -0.474 7.699 8.290 0.016 0.127 0.555 97 E N 4.249 124.640 120.200 0.318 0.000 2.684 97 E HA 0.020 4.630 4.350 0.435 0.000 0.204 97 E C -0.509 176.248 176.600 0.261 0.000 0.900 97 E CA 1.124 57.749 56.400 0.375 0.000 1.481 97 E CB 0.646 30.625 29.700 0.464 0.000 1.468 97 E HN -0.537 7.950 8.360 0.212 0.000 0.778 98 A N -0.574 122.371 122.820 0.210 0.000 2.169 98 A HA -0.043 4.521 4.320 0.407 0.000 0.212 98 A C 1.613 179.364 177.584 0.278 0.000 1.153 98 A CA 2.229 54.444 52.037 0.297 0.000 0.756 98 A CB -0.625 18.464 19.000 0.148 0.000 0.813 98 A HN 0.322 8.576 8.150 0.172 0.000 0.471 99 V N -1.336 118.629 119.914 0.085 0.000 2.719 99 V HA -0.384 3.711 4.120 -0.042 0.000 0.252 99 V C 1.569 177.698 176.094 0.059 0.000 1.065 99 V CA 3.684 65.930 62.300 -0.090 0.000 1.086 99 V CB -0.165 31.332 31.823 -0.544 0.000 0.700 99 V HN -0.112 8.150 8.190 0.052 -0.040 0.467 100 V N 0.317 120.402 119.914 0.286 0.000 2.295 100 V HA -0.415 4.048 4.120 0.571 0.000 0.246 100 V C 1.644 177.893 176.094 0.258 0.000 1.049 100 V CA 4.733 67.280 62.300 0.411 0.000 1.024 100 V CB -0.201 31.864 31.823 0.403 0.000 0.648 100 V HN -0.299 7.969 8.190 0.298 0.100 0.447 101 I N -2.294 118.401 120.570 0.210 0.000 2.493 101 I HA -0.434 3.755 4.170 0.031 0.000 0.254 101 I C 1.748 177.924 176.117 0.098 0.000 1.160 101 I CA 2.442 63.792 61.300 0.083 0.000 1.445 101 I CB -1.499 36.492 38.000 -0.014 0.000 1.086 101 I HN -0.899 7.456 8.210 0.242 0.000 0.433 102 D N 1.197 121.744 120.400 0.246 0.000 2.103 102 D HA -0.218 4.606 4.640 0.306 0.000 0.199 102 D C 2.267 178.647 176.300 0.133 0.000 0.978 102 D CA 3.344 57.494 54.000 0.250 0.000 0.829 102 D CB 0.008 40.950 40.800 0.237 0.000 0.981 102 D HN -0.425 7.974 8.370 0.280 0.138 0.464 103 I N -0.780 119.871 120.570 0.136 0.000 2.614 103 I HA -0.357 3.860 4.170 0.079 0.000 0.258 103 I C 1.535 177.742 176.117 0.150 0.000 1.189 103 I CA 2.042 63.431 61.300 0.149 0.000 1.462 103 I CB -0.449 37.727 38.000 0.293 0.000 1.092 103 I HN -0.424 7.882 8.210 0.160 0.000 0.442 104 A N -0.041 122.860 122.820 0.135 0.000 1.898 104 A HA -0.156 4.230 4.320 0.110 0.000 0.214 104 A C 1.762 179.404 177.584 0.097 0.000 1.183 104 A CA 3.237 55.335 52.037 0.100 0.000 0.622 104 A CB -1.145 17.888 19.000 0.054 0.000 0.824 104 A HN -0.469 7.614 8.150 0.134 0.147 0.444 105 C N -2.168 117.195 119.300 0.105 0.000 2.457 105 C HA -0.266 4.267 4.460 0.122 0.000 0.278 105 C C 2.246 177.369 174.990 0.221 0.000 1.309 105 C CA 4.454 63.558 59.018 0.144 0.000 1.735 105 C CB -0.151 27.684 27.740 0.159 0.000 1.992 105 C HN -0.553 7.735 8.230 0.097 0.000 0.493 106 G N -2.011 106.933 108.800 0.241 0.000 2.422 106 G HA2 -0.291 3.816 3.960 0.245 0.000 0.218 106 G HA3 -0.291 4.070 3.960 0.668 0.000 0.218 106 G C 0.784 175.980 174.900 0.494 0.000 1.140 106 G CA 1.760 47.121 45.100 0.434 0.000 0.775 106 G HN -0.212 8.182 8.290 0.172 0.000 0.545 107 A N 2.405 125.390 122.820 0.275 0.000 1.873 107 A HA -0.302 4.171 4.320 0.255 0.000 0.215 107 A C 1.365 179.045 177.584 0.161 0.000 1.186 107 A CA 2.741 54.909 52.037 0.217 0.000 0.616 107 A CB -0.295 18.796 19.000 0.151 0.000 0.823 107 A HN -0.674 7.589 8.150 0.213 0.015 0.442 108 I N -2.261 118.386 120.570 0.129 0.000 2.208 108 I HA -0.545 3.656 4.170 0.052 0.000 0.245 108 I C 2.297 178.458 176.117 0.074 0.000 1.097 108 I CA 3.871 65.219 61.300 0.080 0.000 1.363 108 I CB -0.023 38.018 38.000 0.069 0.000 1.051 108 I HN -0.757 7.533 8.210 0.132 0.000 0.413 109 E N -1.748 118.524 120.200 0.120 0.000 2.208 109 E HA -0.280 4.079 4.350 0.015 0.000 0.193 109 E C 2.454 179.019 176.600 -0.058 0.000 0.988 109 E CA 2.538 58.967 56.400 0.048 0.000 0.828 109 E CB -0.004 29.766 29.700 0.117 0.000 0.763 109 E HN -0.614 7.856 8.360 0.184 0.000 0.478 110 L N -2.719 118.508 121.223 0.007 0.000 2.509 110 L HA 0.026 4.244 4.340 -0.204 0.000 0.222 110 L C 0.257 177.121 176.870 -0.009 0.000 1.123 110 L CA -0.054 54.745 54.840 -0.069 0.000 0.856 110 L CB 0.679 42.769 42.059 0.051 0.000 0.985 110 L HN -0.563 7.632 8.230 0.134 0.115 0.456 111 G N -1.460 107.353 108.800 0.022 0.000 2.137 111 G HA2 -0.347 3.617 3.960 0.005 0.000 0.237 111 G HA3 -0.347 3.621 3.960 0.013 0.000 0.237 111 G C -0.049 174.873 174.900 0.037 0.000 1.002 111 G CA 0.093 45.204 45.100 0.018 0.000 0.702 111 G HN -0.556 7.602 8.290 0.039 0.156 0.515 112 I N -1.026 119.582 120.570 0.063 0.000 2.754 112 I HA -0.256 3.961 4.170 0.078 0.000 0.285 112 I C -0.098 176.045 176.117 0.044 0.000 1.166 112 I CA 1.185 62.530 61.300 0.076 0.000 1.417 112 I CB 0.502 38.566 38.000 0.108 0.000 1.382 112 I HN -0.436 7.823 8.210 0.081 0.000 0.588 113 K N 0.846 121.279 120.400 0.055 0.000 2.399 113 K HA 0.328 4.582 4.320 -0.111 0.000 0.196 113 K C -0.709 175.761 176.600 -0.216 0.000 1.117 113 K CA -0.511 55.739 56.287 -0.061 0.000 0.965 113 K CB 2.200 34.694 32.500 -0.009 0.000 0.983 113 K HN -0.086 8.230 8.250 0.110 0.000 0.531 114 W N -1.960 119.344 121.300 0.007 0.000 2.739 114 W HA 0.255 5.033 4.660 -0.051 -0.148 0.331 114 W C -2.070 174.524 176.519 0.124 0.000 1.049 114 W CA -0.598 56.734 57.345 -0.022 0.000 1.234 114 W CB 3.583 32.880 29.460 -0.273 0.000 1.404 114 W HN -0.420 7.932 8.180 0.286 0.000 0.477 115 L N 4.961 126.387 121.223 0.337 0.000 2.441 115 L HA 0.879 5.605 4.340 0.278 -0.219 0.270 115 L C -2.172 174.858 176.870 0.268 0.000 0.973 115 L CA -1.015 53.986 54.840 0.268 0.000 0.842 115 L CB 3.562 45.718 42.059 0.163 0.000 1.239 115 L HN 0.438 8.834 8.230 0.277 0.000 0.406 116 S N 6.665 122.514 115.700 0.249 0.000 2.475 116 S HA 0.591 5.346 4.470 0.195 -0.167 0.298 116 S C -1.616 173.103 174.600 0.198 0.000 1.119 116 S CA -0.582 57.735 58.200 0.196 0.000 1.085 116 S CB 1.850 65.098 63.200 0.080 0.000 1.028 116 S HN 0.191 8.633 8.310 0.220 0.000 0.489 117 L N 2.517 123.841 121.223 0.168 0.000 2.446 117 L HA 0.385 4.829 4.340 -0.070 -0.147 0.268 117 L C -1.486 175.282 176.870 -0.171 0.000 0.975 117 L CA -0.569 54.245 54.840 -0.043 0.000 0.848 117 L CB 2.688 44.666 42.059 -0.135 0.000 1.225 117 L HN 0.288 8.608 8.230 0.150 0.000 0.410 118 Y N 5.280 125.182 120.300 -0.664 0.000 2.573 118 Y HA -0.151 4.035 4.550 -0.606 0.000 0.346 118 Y C -0.910 174.672 175.900 -0.530 0.000 1.198 118 Y CA -0.592 56.990 58.100 -0.864 0.000 1.627 118 Y CB 0.404 37.877 38.460 -1.644 0.000 1.457 118 Y HN 0.009 7.959 8.280 -0.550 0.000 0.483 119 A N 8.907 131.588 122.820 -0.233 0.000 1.898 119 A HA -0.103 4.058 4.320 -0.266 0.000 0.214 119 A C -1.162 176.359 177.584 -0.106 0.000 1.183 119 A CA 1.530 53.430 52.037 -0.228 0.000 0.622 119 A CB 0.826 19.648 19.000 -0.296 0.000 0.824 119 A HN 0.147 8.196 8.150 -0.168 0.000 0.444 120 F N -1.028 118.786 119.950 -0.227 0.000 2.941 120 F HA 0.167 4.604 4.527 -0.348 -0.120 0.359 120 F C -2.089 173.577 175.800 -0.223 0.000 1.231 120 F CA -1.149 56.693 58.000 -0.264 0.000 1.089 120 F CB 2.764 41.651 39.000 -0.190 0.000 1.407 120 F HN -0.757 7.609 8.300 0.110 0.000 0.538 121 S N 5.364 120.669 115.700 -0.659 0.000 2.598 121 S HA 0.096 4.695 4.470 -0.016 -0.138 0.256 121 S C 1.924 176.473 174.600 -0.086 0.000 1.350 121 S CA 0.014 57.999 58.200 -0.358 0.000 0.984 121 S CB 1.463 64.350 63.200 -0.521 0.000 0.930 121 S HN -0.078 7.885 8.310 -0.920 -0.204 0.577 122 T N 0.851 115.491 114.554 0.143 0.000 3.054 122 T HA 0.111 4.867 4.350 0.413 -0.158 0.259 122 T C 1.159 175.972 174.700 0.188 0.000 1.092 122 T CA 1.930 64.192 62.100 0.270 0.000 1.121 122 T CB 0.214 69.249 68.868 0.278 0.000 0.912 122 T HN 0.187 8.546 8.240 0.199 0.000 0.489 123 E N 1.219 121.440 120.200 0.035 0.000 2.516 123 E HA -0.080 4.307 4.350 0.062 0.000 0.199 123 E C 0.053 176.582 176.600 -0.118 0.000 1.069 123 E CA 0.606 57.004 56.400 -0.004 0.000 0.876 123 E CB -1.508 28.177 29.700 -0.024 0.000 0.843 123 E HN -0.599 7.771 8.360 0.015 0.000 0.530 124 N N -1.525 116.984 118.700 -0.319 0.000 2.280 124 N HA 0.006 4.485 4.740 -0.435 0.000 0.192 124 N C 1.069 176.323 175.510 -0.427 0.000 1.109 124 N CA 0.281 52.963 53.050 -0.614 0.000 0.855 124 N CB 0.544 38.184 38.487 -1.412 0.000 0.974 124 N HN -0.791 7.290 8.380 -0.336 0.097 0.482 125 W N -1.350 119.948 121.300 -0.005 0.000 3.047 125 W HA -0.071 4.691 4.660 0.171 0.000 0.250 125 W C 0.279 176.829 176.519 0.051 0.000 1.314 125 W CA 1.003 58.416 57.345 0.112 0.000 1.540 125 W CB -0.194 29.359 29.460 0.154 0.000 1.127 125 W HN -0.760 7.505 8.180 0.142 0.000 0.679 126 K N -3.390 117.112 120.400 0.171 0.000 2.432 126 K HA -0.117 4.281 4.320 0.130 0.000 0.196 126 K C 0.558 177.192 176.600 0.058 0.000 1.038 126 K CA 0.599 56.949 56.287 0.103 0.000 0.986 126 K CB -0.242 32.292 32.500 0.057 0.000 0.782 126 K HN -0.646 7.618 8.250 0.109 0.051 0.485 127 R N -1.773 118.740 120.500 0.021 0.000 2.652 127 R HA -0.086 4.257 4.340 0.004 0.000 0.272 127 R C 0.239 176.574 176.300 0.058 0.000 1.162 127 R CA -0.146 55.958 56.100 0.007 0.000 1.199 127 R CB 0.775 31.044 30.300 -0.051 0.000 1.166 127 R HN -0.855 7.374 8.270 -0.009 0.036 0.597 128 S N -0.098 115.632 115.700 0.050 0.000 2.562 128 S HA 0.118 4.633 4.470 0.076 0.000 0.281 128 S C 0.351 175.014 174.600 0.106 0.000 1.333 128 S CA -1.354 56.888 58.200 0.071 0.000 1.052 128 S CB 0.633 63.863 63.200 0.050 0.000 0.884 128 S HN 0.197 8.527 8.310 0.032 0.000 0.506 129 P HA -0.164 4.393 4.420 0.227 0.000 0.219 129 P C 1.103 178.504 177.300 0.169 0.000 1.146 129 P CA 2.253 65.460 63.100 0.180 0.000 0.808 129 P CB 0.078 31.877 31.700 0.165 0.000 0.779 130 E N -2.379 117.897 120.200 0.127 0.000 2.158 130 E HA -0.173 4.264 4.350 0.146 0.000 0.191 130 E C 2.279 178.959 176.600 0.133 0.000 0.982 130 E CA 3.173 59.647 56.400 0.123 0.000 0.823 130 E CB -0.765 28.982 29.700 0.078 0.000 0.766 130 E HN 0.508 8.904 8.360 0.105 0.027 0.468 131 E N 0.672 120.934 120.200 0.104 0.000 2.028 131 E HA -0.249 4.172 4.350 0.119 0.000 0.190 131 E C 2.164 178.840 176.600 0.127 0.000 0.984 131 E CA 2.785 59.248 56.400 0.105 0.000 0.800 131 E CB 0.081 29.809 29.700 0.047 0.000 0.758 131 E HN -0.794 7.526 8.360 0.088 0.093 0.448 132 V N -0.231 119.740 119.914 0.094 0.000 2.324 132 V HA -0.534 3.625 4.120 0.064 0.000 0.250 132 V C 2.191 178.263 176.094 -0.036 0.000 1.060 132 V CA 5.048 67.381 62.300 0.055 0.000 1.042 132 V CB -0.273 31.623 31.823 0.122 0.000 0.650 132 V HN -0.063 8.187 8.190 0.100 0.000 0.450 133 R N -1.649 118.908 120.500 0.094 0.000 2.115 133 R HA -0.278 4.048 4.340 -0.024 0.000 0.226 133 R C 2.506 178.850 176.300 0.074 0.000 1.100 133 R CA 3.322 59.494 56.100 0.120 0.000 0.980 133 R CB -0.160 30.341 30.300 0.336 0.000 0.875 133 R HN -0.632 7.729 8.270 0.162 0.006 0.445 134 F N 1.122 121.073 119.950 0.001 0.000 2.186 134 F HA -0.187 4.376 4.527 0.059 0.000 0.299 134 F C 0.472 176.264 175.800 -0.013 0.000 1.090 134 F CA 2.854 60.859 58.000 0.009 0.000 1.307 134 F CB -0.061 38.927 39.000 -0.020 0.000 1.019 134 F HN -0.894 7.482 8.300 0.280 0.091 0.489 135 L N -1.059 119.984 121.223 -0.300 0.000 2.072 135 L HA -0.481 3.519 4.340 -0.567 0.000 0.205 135 L C 1.983 178.630 176.870 -0.372 0.000 1.079 135 L CA 3.009 57.627 54.840 -0.371 0.000 0.752 135 L CB -0.310 41.685 42.059 -0.106 0.000 0.906 135 L HN -0.262 7.928 8.230 -0.067 0.000 0.436 136 M N -1.945 117.320 119.600 -0.559 0.000 2.082 136 M HA -0.401 3.616 4.480 -0.772 0.000 0.258 136 M C 2.465 178.483 176.300 -0.470 0.000 1.071 136 M CA 3.335 58.156 55.300 -0.798 0.000 1.103 136 M CB -1.270 30.342 32.600 -1.647 0.000 1.307 136 M HN -0.196 7.756 8.290 -0.563 0.000 0.409 137 G N -1.960 106.648 108.800 -0.320 0.000 2.514 137 G HA2 -0.400 3.569 3.960 0.016 0.000 0.217 137 G HA3 -0.400 3.571 3.960 0.020 0.000 0.217 137 G C 0.917 175.753 174.900 -0.107 0.000 1.198 137 G CA 1.981 47.039 45.100 -0.070 0.000 0.780 137 G HN -0.581 7.501 8.290 -0.347 0.000 0.565 138 F N 2.936 122.651 119.950 -0.393 0.000 2.032 138 F HA -0.513 3.884 4.527 -0.217 0.000 0.297 138 F C 1.547 177.232 175.800 -0.191 0.000 1.125 138 F CA 3.283 61.069 58.000 -0.356 0.000 1.202 138 F CB 0.048 38.610 39.000 -0.731 0.000 0.958 138 F HN -0.086 8.045 8.300 -0.282 0.000 0.491 139 N N -0.946 117.586 118.700 -0.279 0.000 2.049 139 N HA -0.495 4.043 4.740 -0.336 0.000 0.198 139 N C 2.197 177.528 175.510 -0.298 0.000 1.030 139 N CA 3.221 56.108 53.050 -0.272 0.000 0.870 139 N CB -0.655 37.784 38.487 -0.080 0.000 1.045 139 N HN -0.425 7.890 8.380 -0.109 0.000 0.434 140 R N -1.304 119.061 120.500 -0.225 0.000 2.134 140 R HA -0.422 3.812 4.340 -0.176 0.000 0.248 140 R C 1.851 178.037 176.300 -0.191 0.000 1.143 140 R CA 3.633 59.628 56.100 -0.174 0.000 0.957 140 R CB -0.190 30.057 30.300 -0.087 0.000 0.867 140 R HN -0.407 7.737 8.270 -0.210 0.000 0.441 141 D N -1.672 118.602 120.400 -0.210 0.000 2.117 141 D HA -0.183 4.370 4.640 -0.144 0.000 0.198 141 D C 2.275 178.406 176.300 -0.281 0.000 0.982 141 D CA 3.354 57.231 54.000 -0.203 0.000 0.828 141 D CB -0.295 40.410 40.800 -0.159 0.000 0.967 141 D HN -0.540 7.619 8.370 -0.213 0.083 0.464 142 V N -0.917 118.742 119.914 -0.424 0.000 2.626 142 V HA -0.339 3.567 4.120 -0.357 0.000 0.252 142 V C 1.394 177.300 176.094 -0.314 0.000 1.067 142 V CA 3.508 65.566 62.300 -0.403 0.000 1.081 142 V CB -0.293 31.224 31.823 -0.511 0.000 0.686 142 V HN -0.468 7.320 8.190 -0.525 0.087 0.468 143 V N -1.815 117.905 119.914 -0.324 0.000 2.591 143 V HA -0.285 3.621 4.120 -0.357 0.000 0.249 143 V C 1.580 177.542 176.094 -0.220 0.000 1.053 143 V CA 3.113 65.224 62.300 -0.315 0.000 1.068 143 V CB -0.420 31.206 31.823 -0.328 0.000 0.689 143 V HN -0.128 7.842 8.190 -0.322 0.027 0.462 144 R N -2.249 118.138 120.500 -0.188 0.000 2.246 144 R HA -0.164 4.098 4.340 -0.129 0.000 0.199 144 R C 1.046 177.267 176.300 -0.131 0.000 0.984 144 R CA 1.842 57.858 56.100 -0.139 0.000 1.015 144 R CB 0.167 30.399 30.300 -0.112 0.000 0.930 144 R HN -0.788 7.266 8.270 -0.200 0.096 0.475 145 R N -2.274 118.133 120.500 -0.156 0.000 2.362 145 R HA -0.049 4.223 4.340 -0.114 0.000 0.227 145 R C 0.146 176.359 176.300 -0.145 0.000 0.905 145 R CA 0.729 56.745 56.100 -0.140 0.000 1.067 145 R CB 0.482 30.687 30.300 -0.158 0.000 1.078 145 R HN -0.195 7.927 8.270 -0.184 0.038 0.516 146 R N -4.888 115.513 120.500 -0.166 0.000 2.517 146 R HA 0.283 4.511 4.340 -0.186 0.000 0.265 146 R C 0.766 176.957 176.300 -0.181 0.000 0.921 146 R CA -0.454 55.537 56.100 -0.182 0.000 1.054 146 R CB 0.835 31.025 30.300 -0.182 0.000 1.340 146 R HN -0.411 7.706 8.270 -0.174 0.049 0.551 147 R N 0.121 120.526 120.500 -0.157 0.000 2.241 147 R HA -0.252 4.003 4.340 -0.143 0.000 0.224 147 R C 0.617 176.843 176.300 -0.123 0.000 1.101 147 R CA 3.226 59.243 56.100 -0.137 0.000 0.995 147 R CB -0.983 29.244 30.300 -0.121 0.000 0.870 147 R HN -0.582 7.596 8.270 -0.153 0.000 0.463 148 D N -0.779 119.547 120.400 -0.125 0.000 2.197 148 D HA 0.003 4.587 4.640 -0.093 0.000 0.212 148 D C 1.195 177.405 176.300 -0.149 0.000 0.963 148 D CA 3.104 57.038 54.000 -0.109 0.000 0.864 148 D CB -0.382 40.369 40.800 -0.082 0.000 1.009 148 D HN 0.066 8.325 8.370 -0.128 0.035 0.479 149 T N 1.936 116.360 114.554 -0.218 0.000 2.778 149 T HA -0.352 3.786 4.350 -0.353 0.000 0.269 149 T C 1.505 175.974 174.700 -0.386 0.000 1.050 149 T CA 4.769 66.635 62.100 -0.392 0.000 1.137 149 T CB -0.115 68.385 68.868 -0.613 0.000 0.860 149 T HN 0.006 8.122 8.240 -0.206 0.000 0.468 150 L N -1.526 119.535 121.223 -0.270 0.000 2.168 150 L HA -0.188 4.015 4.340 -0.229 0.000 0.203 150 L C 1.070 177.859 176.870 -0.135 0.000 1.078 150 L CA 2.268 56.987 54.840 -0.202 0.000 0.780 150 L CB -0.563 41.401 42.059 -0.158 0.000 0.939 150 L HN -0.088 7.976 8.230 -0.236 0.025 0.451 151 K N -0.902 119.429 120.400 -0.116 0.000 2.360 151 K HA -0.320 3.956 4.320 -0.074 0.000 0.201 151 K C 1.656 178.216 176.600 -0.067 0.000 1.046 151 K CA 2.690 58.929 56.287 -0.081 0.000 0.940 151 K CB -0.325 32.133 32.500 -0.071 0.000 0.748 151 K HN -0.684 7.492 8.250 -0.124 0.000 0.465 152 K N -2.405 117.947 120.400 -0.081 0.000 2.211 152 K HA -0.164 4.140 4.320 -0.026 0.000 0.201 152 K C 1.264 177.851 176.600 -0.022 0.000 1.052 152 K CA 2.181 58.442 56.287 -0.044 0.000 0.973 152 K CB 0.170 32.645 32.500 -0.043 0.000 0.766 152 K HN -0.555 7.463 8.250 -0.114 0.163 0.466 153 L N -4.236 116.957 121.223 -0.049 0.000 2.599 153 L HA 0.134 4.489 4.340 0.026 0.000 0.230 153 L C 0.512 177.372 176.870 -0.016 0.000 1.141 153 L CA 0.291 55.123 54.840 -0.013 0.000 0.877 153 L CB 0.582 42.622 42.059 -0.031 0.000 1.009 153 L HN -0.739 7.437 8.230 -0.091 0.000 0.447 154 G N -2.384 106.396 108.800 -0.034 0.000 2.164 154 G HA2 -0.324 3.618 3.960 -0.030 0.000 0.212 154 G HA3 -0.324 3.613 3.960 -0.039 0.000 0.212 154 G C -1.180 173.685 174.900 -0.058 0.000 1.031 154 G CA -0.034 45.043 45.100 -0.039 0.000 0.730 154 G HN -0.672 7.535 8.290 -0.043 0.058 0.501 155 V N 0.704 120.578 119.914 -0.066 0.000 2.383 155 V HA 0.097 4.311 4.120 -0.084 -0.144 0.275 155 V C -1.250 174.796 176.094 -0.080 0.000 1.036 155 V CA -0.088 62.166 62.300 -0.076 0.000 0.889 155 V CB 0.763 32.546 31.823 -0.067 0.000 0.985 155 V HN -0.788 7.362 8.190 -0.067 0.000 0.459 156 R N 8.220 128.657 120.500 -0.105 0.000 2.234 156 R HA 0.361 4.821 4.340 -0.074 -0.164 0.324 156 R C -1.859 174.396 176.300 -0.074 0.000 1.054 156 R CA -0.853 55.188 56.100 -0.098 0.000 0.912 156 R CB 1.411 31.628 30.300 -0.138 0.000 1.030 156 R HN 0.312 8.502 8.270 -0.132 0.000 0.455 157 I N 5.370 125.922 120.570 -0.029 0.000 2.730 157 I HA 0.896 5.270 4.170 0.036 -0.182 0.298 157 I C -2.846 173.305 176.117 0.057 0.000 1.089 157 I CA -2.361 58.951 61.300 0.020 0.000 1.041 157 I CB 4.298 42.305 38.000 0.011 0.000 1.235 157 I HN 0.286 8.479 8.210 -0.028 0.000 0.423 158 R N 3.171 123.744 120.500 0.122 0.000 2.829 158 R HA 0.431 4.866 4.340 0.158 0.000 0.267 158 R C -2.864 173.606 176.300 0.283 0.000 1.051 158 R CA -1.544 54.660 56.100 0.173 0.000 0.927 158 R CB 2.438 32.827 30.300 0.147 0.000 1.292 158 R HN -0.165 8.193 8.270 0.146 0.000 0.445 159 W N 0.518 121.886 121.300 0.112 0.000 2.478 159 W HA 0.401 5.350 4.660 0.203 -0.168 0.318 159 W C -1.810 174.805 176.519 0.160 0.000 1.062 159 W CA -1.518 55.919 57.345 0.153 0.000 1.210 159 W CB 1.857 31.390 29.460 0.121 0.000 1.325 159 W HN 0.126 8.551 8.180 0.409 0.000 0.496 160 V N 9.379 128.999 119.914 -0.489 0.000 2.407 160 V HA 0.399 4.127 4.120 -0.653 0.000 0.291 160 V C -1.263 174.449 176.094 -0.637 0.000 1.018 160 V CA -1.848 60.111 62.300 -0.567 0.000 0.842 160 V CB 1.198 32.904 31.823 -0.195 0.000 0.996 160 V HN -0.199 7.862 8.190 -0.216 0.000 0.426 161 G N 4.898 113.188 108.800 -0.850 0.000 2.325 161 G HA2 0.093 4.244 3.960 -0.028 0.000 0.295 161 G HA3 0.093 4.110 3.960 0.095 0.000 0.295 161 G C -2.225 172.585 174.900 -0.150 0.000 1.274 161 G CA 0.157 45.117 45.100 -0.232 0.000 0.857 161 G HN -0.225 7.414 8.290 -1.085 0.000 0.499 162 S N 0.247 116.077 115.700 0.217 0.000 2.462 162 S HA 0.275 4.849 4.470 0.174 0.000 0.294 162 S C 0.737 175.626 174.600 0.482 0.000 1.144 162 S CA -1.945 56.412 58.200 0.262 0.000 1.088 162 S CB 0.968 64.288 63.200 0.200 0.000 1.009 162 S HN -0.087 8.410 8.310 0.311 0.000 0.484 163 R N 5.543 126.305 120.500 0.437 0.000 2.062 163 R HA -0.011 4.614 4.340 0.475 0.000 0.229 163 R C -1.589 174.856 176.300 0.243 0.000 1.128 163 R CA 2.963 59.298 56.100 0.393 0.000 0.960 163 R CB -1.780 28.701 30.300 0.303 0.000 0.855 163 R HN 0.422 8.898 8.270 0.344 0.000 0.432 164 P HA -0.139 4.325 4.420 0.074 0.000 0.261 164 P C -0.014 177.345 177.300 0.098 0.000 1.165 164 P CA 1.678 64.839 63.100 0.103 0.000 0.759 164 P CB -0.009 31.734 31.700 0.071 0.000 0.772 165 R N -3.716 116.794 120.500 0.016 0.000 2.902 165 R HA -0.423 3.824 4.340 -0.155 0.000 0.237 165 R C -1.122 175.318 176.300 0.233 0.000 0.777 165 R CA 2.115 58.157 56.100 -0.096 0.000 1.747 165 R CB -1.784 28.184 30.300 -0.553 0.000 1.248 165 R HN 0.347 8.622 8.270 0.008 0.000 0.577 166 L N 0.333 121.770 121.223 0.358 0.000 2.499 166 L HA -0.134 4.454 4.340 0.414 0.000 0.273 166 L C 0.611 177.686 176.870 0.342 0.000 1.195 166 L CA 0.601 55.655 54.840 0.357 0.000 0.882 166 L CB 0.357 42.566 42.059 0.249 0.000 1.133 166 L HN -0.658 7.677 8.230 0.321 0.088 0.483 167 W N 6.876 128.195 121.300 0.032 0.000 2.193 167 W HA 0.009 4.666 4.660 -0.005 0.000 0.338 167 W C 1.170 177.631 176.519 -0.096 0.000 1.310 167 W CA -1.268 56.063 57.345 -0.025 0.000 1.243 167 W CB -0.353 29.089 29.460 -0.030 0.000 1.165 167 W HN 0.322 8.696 8.180 0.324 0.000 0.566 168 R N 2.754 123.322 120.500 0.114 0.000 2.081 168 R HA -0.454 3.861 4.340 -0.043 0.000 0.235 168 R C 1.395 177.686 176.300 -0.014 0.000 1.131 168 R CA 3.786 59.886 56.100 -0.001 0.000 0.960 168 R CB -0.294 29.993 30.300 -0.022 0.000 0.856 168 R HN 0.534 8.858 8.270 0.090 0.000 0.436 169 S N -2.299 113.429 115.700 0.047 0.000 2.400 169 S HA -0.248 4.218 4.470 -0.007 0.000 0.232 169 S C 1.682 176.276 174.600 -0.010 0.000 1.025 169 S CA 2.875 61.093 58.200 0.031 0.000 0.993 169 S CB -0.827 62.425 63.200 0.087 0.000 0.808 169 S HN 0.006 8.368 8.310 0.086 0.000 0.478 170 V N 2.137 122.046 119.914 -0.009 0.000 2.407 170 V HA -0.292 3.756 4.120 -0.121 0.000 0.245 170 V C 1.543 177.490 176.094 -0.245 0.000 1.041 170 V CA 3.250 65.473 62.300 -0.127 0.000 1.040 170 V CB 0.147 31.868 31.823 -0.169 0.000 0.671 170 V HN -0.972 7.242 8.190 0.068 0.016 0.455 171 I N -0.544 119.829 120.570 -0.328 0.000 2.454 171 I HA -0.605 3.107 4.170 -0.764 0.000 0.254 171 I C 1.861 177.809 176.117 -0.282 0.000 1.156 171 I CA 3.967 64.961 61.300 -0.511 0.000 1.433 171 I CB -0.701 36.970 38.000 -0.548 0.000 1.082 171 I HN -0.756 7.296 8.210 -0.263 0.000 0.432 172 N N -0.621 117.975 118.700 -0.174 0.000 2.250 172 N HA -0.206 4.473 4.740 -0.101 0.000 0.181 172 N C 2.257 177.709 175.510 -0.098 0.000 1.017 172 N CA 3.409 56.392 53.050 -0.110 0.000 0.866 172 N CB 0.171 38.612 38.487 -0.077 0.000 0.985 172 N HN -0.410 7.840 8.380 -0.156 0.037 0.429 173 E N -0.492 119.641 120.200 -0.112 0.000 2.268 173 E HA -0.224 4.069 4.350 -0.095 0.000 0.195 173 E C 2.173 178.701 176.600 -0.119 0.000 0.995 173 E CA 2.037 58.369 56.400 -0.113 0.000 0.836 173 E CB -0.631 28.991 29.700 -0.131 0.000 0.763 173 E HN -0.718 7.570 8.360 -0.120 0.000 0.491 174 L N -1.288 119.857 121.223 -0.130 0.000 2.209 174 L HA -0.109 4.177 4.340 -0.090 0.000 0.207 174 L C 1.776 178.637 176.870 -0.015 0.000 1.094 174 L CA 2.444 57.235 54.840 -0.081 0.000 0.790 174 L CB -0.243 41.768 42.059 -0.080 0.000 0.932 174 L HN -0.678 7.332 8.230 -0.156 0.127 0.447 175 A N -1.842 120.957 122.820 -0.035 0.000 2.119 175 A HA -0.079 4.267 4.320 0.042 0.000 0.216 175 A C 1.543 179.120 177.584 -0.011 0.000 1.152 175 A CA 2.282 54.320 52.037 0.002 0.000 0.708 175 A CB -0.494 18.500 19.000 -0.011 0.000 0.805 175 A HN -0.222 7.791 8.150 -0.074 0.092 0.460 176 V N -0.341 119.551 119.914 -0.036 0.000 2.599 176 V HA -0.261 3.841 4.120 -0.030 0.000 0.245 176 V C 1.092 177.161 176.094 -0.042 0.000 1.046 176 V CA 2.945 65.222 62.300 -0.039 0.000 1.065 176 V CB -0.019 31.773 31.823 -0.052 0.000 0.703 176 V HN -0.599 7.405 8.190 -0.051 0.155 0.464 177 A N -0.546 122.242 122.820 -0.053 0.000 1.968 177 A HA -0.254 4.028 4.320 -0.064 0.000 0.217 177 A C 1.189 178.755 177.584 -0.032 0.000 1.169 177 A CA 3.119 55.121 52.037 -0.059 0.000 0.638 177 A CB -0.879 18.068 19.000 -0.088 0.000 0.812 177 A HN -0.407 7.706 8.150 -0.062 0.000 0.446 178 E N -0.641 119.556 120.200 -0.005 0.000 2.046 178 E HA -0.183 4.421 4.350 0.017 -0.244 0.190 178 E C 2.884 179.487 176.600 0.006 0.000 0.982 178 E CA 2.466 58.877 56.400 0.018 0.000 0.800 178 E CB 0.012 29.747 29.700 0.059 0.000 0.756 178 E HN -0.422 7.918 8.360 -0.002 0.019 0.449 179 E N 0.460 120.661 120.200 0.001 0.000 2.072 179 E HA -0.229 4.121 4.350 0.001 0.000 0.191 179 E C 2.418 179.009 176.600 -0.015 0.000 0.985 179 E CA 2.355 58.753 56.400 -0.004 0.000 0.801 179 E CB -0.254 29.443 29.700 -0.005 0.000 0.750 179 E HN -0.707 7.653 8.360 0.001 0.000 0.452 180 M N -3.664 115.922 119.600 -0.024 0.000 2.346 180 M HA -0.236 4.226 4.480 -0.029 0.000 0.263 180 M C 0.339 176.619 176.300 -0.034 0.000 1.064 180 M CA 2.981 58.263 55.300 -0.031 0.000 1.083 180 M CB 0.610 33.185 32.600 -0.042 0.000 1.399 180 M HN -0.586 7.689 8.290 -0.025 0.000 0.435 181 T N -8.811 105.724 114.554 -0.032 0.000 3.487 181 T HA 0.395 4.721 4.350 -0.041 0.000 0.287 181 T C -0.302 174.377 174.700 -0.034 0.000 1.004 181 T CA -1.674 60.404 62.100 -0.038 0.000 0.977 181 T CB -0.388 68.452 68.868 -0.047 0.000 1.180 181 T HN -0.683 7.375 8.240 -0.026 0.167 0.490 182 K N 1.299 121.684 120.400 -0.025 0.000 2.305 182 K HA -0.132 4.177 4.320 -0.019 0.000 0.199 182 K C 0.508 177.092 176.600 -0.027 0.000 1.047 182 K CA 2.902 59.178 56.287 -0.020 0.000 0.976 182 K CB -0.330 32.165 32.500 -0.008 0.000 0.765 182 K HN -0.803 7.434 8.250 -0.022 0.000 0.474 183 S N -1.581 114.101 115.700 -0.030 0.000 2.558 183 S HA 0.016 4.469 4.470 -0.029 0.000 0.217 183 S C -0.054 174.520 174.600 -0.042 0.000 0.975 183 S CA 0.032 58.213 58.200 -0.031 0.000 0.912 183 S CB -0.110 63.074 63.200 -0.027 0.000 0.776 183 S HN 0.096 8.388 8.310 -0.029 0.000 0.526 184 N N 1.354 120.023 118.700 -0.052 0.000 2.444 184 N HA -0.103 4.605 4.740 -0.053 0.000 0.255 184 N C -0.893 174.565 175.510 -0.087 0.000 1.255 184 N CA 1.604 54.616 53.050 -0.063 0.000 0.933 184 N CB 0.378 38.825 38.487 -0.067 0.000 1.143 184 N HN -0.780 7.522 8.380 -0.051 0.047 0.453 185 D N -2.706 117.640 120.400 -0.090 0.000 2.204 185 D HA 0.059 4.610 4.640 -0.147 0.000 0.337 185 D C 0.914 177.142 176.300 -0.120 0.000 1.054 185 D CA 0.364 54.296 54.000 -0.113 0.000 0.869 185 D CB 2.187 42.939 40.800 -0.080 0.000 1.548 185 D HN -0.065 8.259 8.370 -0.077 0.000 0.530 186 V N 0.289 120.151 119.914 -0.087 0.000 2.439 186 V HA -0.309 3.776 4.120 -0.058 0.000 0.253 186 V C 0.350 176.387 176.094 -0.095 0.000 1.074 186 V CA 2.805 65.064 62.300 -0.070 0.000 1.076 186 V CB 0.241 32.039 31.823 -0.042 0.000 0.664 186 V HN -0.337 7.809 8.190 -0.073 0.000 0.461 187 I N -5.022 115.464 120.570 -0.141 0.000 2.836 187 I HA 0.098 4.246 4.170 -0.236 -0.120 0.298 187 I C -3.065 172.889 176.117 -0.271 0.000 1.600 187 I CA -0.593 60.593 61.300 -0.190 0.000 0.972 187 I CB 3.531 41.477 38.000 -0.090 0.000 1.385 187 I HN -0.878 7.221 8.210 -0.144 0.025 0.520 188 T N 7.786 122.085 114.554 -0.424 0.000 2.864 188 T HA 0.650 5.056 4.350 -0.316 -0.246 0.299 188 T C -0.772 173.804 174.700 -0.207 0.000 1.011 188 T CA -0.675 61.144 62.100 -0.468 0.000 0.975 188 T CB 0.865 69.094 68.868 -1.064 0.000 0.962 188 T HN -0.097 7.854 8.240 -0.482 0.000 0.448 189 I N 8.045 128.591 120.570 -0.041 0.000 2.297 189 I HA 0.401 4.899 4.170 0.125 -0.253 0.291 189 I C -1.452 174.764 176.117 0.165 0.000 1.033 189 I CA -1.197 60.160 61.300 0.096 0.000 1.253 189 I CB 0.667 38.735 38.000 0.114 0.000 1.396 189 I HN 0.498 8.677 8.210 -0.051 0.000 0.476 190 N N 7.633 126.463 118.700 0.215 0.000 2.415 190 N HA 0.086 4.947 4.740 0.203 0.000 0.250 190 N C -1.456 174.177 175.510 0.204 0.000 1.127 190 N CA -1.142 52.029 53.050 0.203 0.000 0.945 190 N CB -0.271 38.315 38.487 0.165 0.000 1.196 190 N HN 0.157 8.682 8.380 0.243 0.000 0.499 191 Y N 6.675 127.054 120.300 0.132 0.000 2.600 191 Y HA 0.029 4.666 4.550 0.145 0.000 0.351 191 Y C -0.804 175.218 175.900 0.203 0.000 1.042 191 Y CA 0.228 58.423 58.100 0.159 0.000 1.333 191 Y CB 0.149 38.703 38.460 0.156 0.000 1.172 191 Y HN -0.022 8.480 8.280 0.371 0.000 0.517 192 C N 9.140 128.480 119.300 0.067 0.000 2.383 192 C HA 0.111 4.891 4.460 0.168 -0.219 0.350 192 C C -1.542 173.635 174.990 0.312 0.000 1.173 192 C CA 0.599 59.730 59.018 0.188 0.000 1.645 192 C CB -0.592 27.278 27.740 0.216 0.000 2.221 192 C HN 0.042 8.245 8.230 -0.046 0.000 0.528 193 V N 5.160 125.372 119.914 0.497 0.000 2.495 193 V HA 0.097 4.480 4.120 0.438 0.000 0.298 193 V C -0.972 175.489 176.094 0.611 0.000 1.031 193 V CA -1.244 61.377 62.300 0.536 0.000 0.871 193 V CB 1.675 33.810 31.823 0.521 0.000 0.988 193 V HN -0.215 8.298 8.190 0.539 0.000 0.432 194 N N 3.012 122.042 118.700 0.550 0.000 2.716 194 N HA -0.461 4.759 4.740 0.686 -0.069 0.250 194 N C -1.568 174.254 175.510 0.520 0.000 1.033 194 N CA 1.255 54.658 53.050 0.588 0.000 0.727 194 N CB -1.150 37.660 38.487 0.539 0.000 0.950 194 N HN 0.138 8.862 8.380 0.574 0.000 0.541 195 Y N -0.497 120.059 120.300 0.426 0.000 2.304 195 Y HA 0.044 4.720 4.550 0.211 0.000 0.327 195 Y C -1.490 174.630 175.900 0.366 0.000 1.209 195 Y CA 0.988 59.285 58.100 0.328 0.000 1.299 195 Y CB 2.030 40.668 38.460 0.296 0.000 1.249 195 Y HN -0.887 7.807 8.280 0.719 0.018 0.519 196 G N 3.794 112.178 108.800 -0.692 0.000 2.739 196 G HA2 0.127 3.975 3.960 -0.187 0.000 0.291 196 G HA3 0.127 3.997 3.960 -0.150 0.000 0.291 196 G C -1.322 173.139 174.900 -0.730 0.000 1.478 196 G CA -0.879 43.961 45.100 -0.433 0.000 1.062 196 G HN -0.166 7.500 8.290 -1.040 0.000 0.532 197 G N 3.339 111.906 108.800 -0.387 0.000 2.480 197 G HA2 -0.360 3.847 3.960 0.032 0.000 0.216 197 G HA3 -0.360 3.502 3.960 -0.163 0.000 0.216 197 G C 0.893 175.746 174.900 -0.077 0.000 1.200 197 G CA 1.171 46.184 45.100 -0.146 0.000 0.782 197 G HN 0.041 8.244 8.290 -0.145 0.000 0.554 198 R N -0.191 120.290 120.500 -0.032 0.000 2.115 198 R HA -0.284 4.070 4.340 0.023 0.000 0.230 198 R C 1.706 177.986 176.300 -0.034 0.000 1.111 198 R CA 3.208 59.306 56.100 -0.003 0.000 0.976 198 R CB -0.313 29.997 30.300 0.017 0.000 0.870 198 R HN 0.271 8.652 8.270 -0.018 -0.122 0.445 199 T N -0.733 113.781 114.554 -0.067 0.000 2.985 199 T HA -0.282 4.049 4.350 -0.031 0.000 0.266 199 T C 1.459 176.111 174.700 -0.080 0.000 1.076 199 T CA 4.558 66.624 62.100 -0.056 0.000 1.135 199 T CB -0.696 68.150 68.868 -0.037 0.000 0.890 199 T HN -0.116 8.049 8.240 -0.090 0.021 0.480 200 E N 2.010 122.126 120.200 -0.140 0.000 2.216 200 E HA -0.104 4.357 4.350 -0.096 -0.168 0.192 200 E C 1.812 178.351 176.600 -0.101 0.000 0.988 200 E CA 2.309 58.637 56.400 -0.120 0.000 0.834 200 E CB -0.511 29.106 29.700 -0.139 0.000 0.772 200 E HN -0.492 7.752 8.360 -0.194 0.000 0.479 201 I N 0.736 121.252 120.570 -0.090 0.000 2.233 201 I HA -0.390 3.678 4.170 -0.171 0.000 0.243 201 I C 1.878 177.947 176.117 -0.081 0.000 1.093 201 I CA 3.685 64.924 61.300 -0.102 0.000 1.380 201 I CB 0.056 38.040 38.000 -0.027 0.000 1.067 201 I HN -0.766 7.297 8.210 -0.075 0.102 0.413 202 T N 0.579 115.104 114.554 -0.049 0.000 2.962 202 T HA -0.321 4.008 4.350 -0.035 0.000 0.270 202 T C 2.273 176.950 174.700 -0.038 0.000 1.088 202 T CA 4.495 66.573 62.100 -0.036 0.000 1.127 202 T CB -0.682 68.174 68.868 -0.018 0.000 0.883 202 T HN -0.254 7.882 8.240 -0.044 0.078 0.493 203 E N 1.221 121.396 120.200 -0.041 0.000 2.158 203 E HA -0.152 4.188 4.350 -0.017 0.000 0.191 203 E C 1.429 178.009 176.600 -0.034 0.000 0.982 203 E CA 2.623 59.007 56.400 -0.027 0.000 0.823 203 E CB -0.267 29.422 29.700 -0.018 0.000 0.766 203 E HN -0.420 7.885 8.360 -0.049 0.026 0.468 204 A N -1.210 121.572 122.820 -0.063 0.000 2.015 204 A HA -0.087 4.345 4.320 -0.008 -0.117 0.219 204 A C 1.882 179.390 177.584 -0.127 0.000 1.163 204 A CA 2.725 54.717 52.037 -0.075 0.000 0.646 204 A CB -0.483 18.427 19.000 -0.150 0.000 0.806 204 A HN -0.546 7.460 8.150 -0.080 0.095 0.448 205 T N -0.030 114.460 114.554 -0.107 0.000 3.014 205 T HA -0.169 4.102 4.350 -0.132 0.000 0.263 205 T C 1.476 176.120 174.700 -0.093 0.000 1.078 205 T CA 4.480 66.517 62.100 -0.105 0.000 1.135 205 T CB -0.118 68.710 68.868 -0.067 0.000 0.895 205 T HN -0.229 7.826 8.240 -0.088 0.133 0.480 206 R N 1.263 121.724 120.500 -0.066 0.000 2.161 206 R HA -0.103 4.210 4.340 -0.045 0.000 0.213 206 R C 1.754 178.024 176.300 -0.049 0.000 1.055 206 R CA 3.034 59.107 56.100 -0.046 0.000 0.996 206 R CB -0.050 30.237 30.300 -0.022 0.000 0.901 206 R HN -0.626 7.507 8.270 -0.057 0.104 0.456 207 E N 0.173 120.341 120.200 -0.055 0.000 2.112 207 E HA -0.171 4.180 4.350 0.002 0.000 0.190 207 E C 2.043 178.555 176.600 -0.148 0.000 0.979 207 E CA 2.289 58.672 56.400 -0.027 0.000 0.814 207 E CB -0.551 29.219 29.700 0.117 0.000 0.762 207 E HN -0.596 7.731 8.360 -0.055 0.000 0.460 208 I N -0.046 120.332 120.570 -0.320 0.000 2.113 208 I HA -0.556 3.343 4.170 -0.451 0.000 0.238 208 I C 1.430 177.450 176.117 -0.162 0.000 1.070 208 I CA 4.266 65.353 61.300 -0.355 0.000 1.332 208 I CB -0.137 37.653 38.000 -0.350 0.000 1.044 208 I HN -0.808 7.211 8.210 -0.319 0.000 0.402 209 A N -1.571 121.179 122.820 -0.116 0.000 1.915 209 A HA -0.461 3.822 4.320 -0.061 0.000 0.220 209 A C 1.970 179.525 177.584 -0.048 0.000 1.198 209 A CA 3.313 55.310 52.037 -0.067 0.000 0.647 209 A CB -1.049 17.921 19.000 -0.051 0.000 0.825 209 A HN -0.297 7.780 8.150 -0.122 0.000 0.456 210 R N -2.278 118.196 120.500 -0.044 0.000 2.082 210 R HA -0.445 3.886 4.340 -0.016 0.000 0.234 210 R C 2.457 178.746 176.300 -0.018 0.000 1.136 210 R CA 3.682 59.769 56.100 -0.021 0.000 0.935 210 R CB -0.228 30.067 30.300 -0.008 0.000 0.842 210 R HN -0.468 7.772 8.270 -0.051 -0.000 0.430 211 E N -1.050 119.135 120.200 -0.024 0.000 2.086 211 E HA -0.442 3.911 4.350 0.006 0.000 0.200 211 E C 2.460 179.052 176.600 -0.015 0.000 1.012 211 E CA 3.030 59.423 56.400 -0.010 0.000 0.812 211 E CB -0.339 29.356 29.700 -0.008 0.000 0.743 211 E HN -0.675 7.662 8.360 -0.038 0.000 0.453 212 V N -0.605 119.291 119.914 -0.029 0.000 2.252 212 V HA -0.479 3.793 4.120 -0.018 -0.163 0.249 212 V C 2.162 178.248 176.094 -0.013 0.000 1.056 212 V CA 3.563 65.850 62.300 -0.022 0.000 1.022 212 V CB -0.694 31.112 31.823 -0.028 0.000 0.641 212 V HN -0.398 7.766 8.190 -0.043 0.000 0.445 213 A N -1.162 121.650 122.820 -0.013 0.000 1.851 213 A HA -0.301 4.014 4.320 -0.007 0.000 0.216 213 A C 1.788 179.370 177.584 -0.004 0.000 1.195 213 A CA 2.808 54.841 52.037 -0.008 0.000 0.622 213 A CB -0.532 18.464 19.000 -0.008 0.000 0.831 213 A HN -0.636 7.504 8.150 -0.017 0.000 0.444 214 A N -4.230 118.590 122.820 -0.002 0.000 2.139 214 A HA -0.232 4.089 4.320 0.002 0.000 0.221 214 A C 0.521 178.107 177.584 0.003 0.000 1.159 214 A CA 0.836 52.874 52.037 0.002 0.000 0.662 214 A CB -0.014 18.990 19.000 0.006 0.000 0.796 214 A HN -0.370 7.778 8.150 -0.002 0.000 0.463 215 G N -3.136 105.664 108.800 0.001 0.000 2.232 215 G HA2 -0.261 3.700 3.960 0.002 0.000 0.226 215 G HA3 -0.261 3.758 3.960 0.000 -0.060 0.226 215 G C 1.061 175.963 174.900 0.004 0.000 0.996 215 G CA 0.318 45.419 45.100 0.002 0.000 0.626 215 G HN -0.594 7.538 8.290 -0.001 0.158 0.509 216 R N -0.842 119.662 120.500 0.006 0.000 2.235 216 R HA -0.125 4.221 4.340 0.010 0.000 0.213 216 R C -0.085 176.222 176.300 0.011 0.000 1.059 216 R CA 0.953 57.059 56.100 0.011 0.000 0.997 216 R CB 0.540 30.851 30.300 0.018 0.000 0.884 216 R HN -0.209 8.008 8.270 0.007 0.057 0.462 217 L N -1.773 119.452 121.223 0.004 0.000 2.333 217 L HA 0.168 4.511 4.340 0.006 0.000 0.269 217 L C -1.675 175.192 176.870 -0.004 0.000 1.010 217 L CA -0.897 53.943 54.840 -0.000 0.000 0.818 217 L CB 2.853 44.904 42.059 -0.013 0.000 1.306 217 L HN -0.803 7.383 8.230 0.001 0.044 0.430 218 N N 3.245 121.943 118.700 -0.003 0.000 2.442 218 N HA 0.392 5.129 4.740 -0.004 0.000 0.274 218 N C -1.076 174.430 175.510 -0.006 0.000 1.002 218 N CA -3.552 49.496 53.050 -0.003 0.000 0.910 218 N CB 0.707 39.195 38.487 0.002 0.000 1.244 218 N HN 0.174 8.553 8.380 -0.001 0.000 0.492 219 P HA -0.196 4.214 4.420 -0.018 0.000 0.217 219 P C 0.754 178.052 177.300 -0.003 0.000 1.148 219 P CA 2.011 65.104 63.100 -0.011 0.000 0.828 219 P CB 0.192 31.887 31.700 -0.010 0.000 0.783 220 E N -3.597 116.603 120.200 0.001 0.000 2.409 220 E HA -0.169 4.185 4.350 0.006 0.000 0.198 220 E C 1.071 177.676 176.600 0.009 0.000 1.024 220 E CA 1.502 57.905 56.400 0.005 0.000 0.861 220 E CB -1.148 28.555 29.700 0.005 0.000 0.788 220 E HN -0.168 8.169 8.360 0.000 0.023 0.521 221 R N -2.815 117.690 120.500 0.007 0.000 2.290 221 R HA 0.049 4.398 4.340 0.014 0.000 0.197 221 R C 0.099 176.408 176.300 0.016 0.000 0.913 221 R CA 0.022 56.129 56.100 0.012 0.000 1.040 221 R CB 0.942 31.249 30.300 0.012 0.000 0.992 221 R HN -0.551 7.549 8.270 0.004 0.172 0.500 222 I N 1.499 122.074 120.570 0.009 0.000 2.576 222 I HA -0.334 3.842 4.170 0.010 0.000 0.288 222 I C 0.041 176.176 176.117 0.031 0.000 1.126 222 I CA 1.343 62.650 61.300 0.010 0.000 1.362 222 I CB -1.176 36.818 38.000 -0.009 0.000 1.419 222 I HN -0.753 7.354 8.210 0.004 0.105 0.533 223 T N 6.968 121.550 114.554 0.046 0.000 2.864 223 T HA 0.313 4.703 4.350 0.067 0.000 0.276 223 T C 1.075 175.842 174.700 0.112 0.000 1.006 223 T CA -1.989 60.152 62.100 0.069 0.000 0.970 223 T CB 2.061 70.965 68.868 0.060 0.000 1.420 223 T HN -0.071 8.195 8.240 0.044 0.000 0.601 224 E N -0.366 119.927 120.200 0.154 0.000 2.077 224 E HA -0.263 4.319 4.350 0.386 0.000 0.193 224 E C 1.500 178.263 176.600 0.273 0.000 0.989 224 E CA 3.374 59.946 56.400 0.286 0.000 0.800 224 E CB -0.205 29.645 29.700 0.251 0.000 0.746 224 E HN 0.479 8.915 8.360 0.128 0.000 0.452 225 S N -2.671 113.128 115.700 0.164 0.000 2.607 225 S HA -0.008 4.552 4.470 0.151 0.000 0.224 225 S C 0.988 175.631 174.600 0.072 0.000 0.969 225 S CA 1.295 59.567 58.200 0.120 0.000 0.927 225 S CB -0.208 63.041 63.200 0.082 0.000 0.772 225 S HN -0.153 8.236 8.310 0.132 0.000 0.533 226 T N 3.297 117.891 114.554 0.067 0.000 3.060 226 T HA -0.009 4.411 4.350 0.117 0.000 0.249 226 T C -0.059 174.667 174.700 0.044 0.000 1.079 226 T CA 1.754 63.901 62.100 0.078 0.000 1.013 226 T CB 0.266 69.165 68.868 0.051 0.000 0.975 226 T HN -0.549 7.660 8.240 0.076 0.076 0.518 227 I N 0.141 120.655 120.570 -0.093 0.000 2.512 227 I HA -0.050 3.981 4.170 -0.233 0.000 0.247 227 I C 1.142 177.030 176.117 -0.381 0.000 1.094 227 I CA 0.725 61.833 61.300 -0.319 0.000 1.427 227 I CB -0.474 37.102 38.000 -0.707 0.000 1.149 227 I HN -0.717 7.418 8.210 -0.066 0.036 0.438 228 A N -0.670 121.930 122.820 -0.366 0.000 1.915 228 A HA -0.425 3.661 4.320 -0.389 0.000 0.220 228 A C 1.957 179.456 177.584 -0.141 0.000 1.198 228 A CA 3.463 55.361 52.037 -0.231 0.000 0.647 228 A CB -0.801 18.226 19.000 0.044 0.000 0.825 228 A HN -0.464 7.523 8.150 -0.271 0.000 0.456 229 R N -5.167 115.286 120.500 -0.078 0.000 2.275 229 R HA -0.150 4.125 4.340 -0.108 0.000 0.199 229 R C 1.434 177.610 176.300 -0.207 0.000 0.989 229 R CA 1.735 57.771 56.100 -0.107 0.000 1.016 229 R CB 0.187 30.438 30.300 -0.081 0.000 0.918 229 R HN -0.479 7.756 8.270 -0.041 0.011 0.473 230 H N -2.411 116.580 119.070 -0.131 0.000 2.586 230 H HA 0.061 4.565 4.556 -0.087 0.000 0.273 230 H C -0.155 175.085 175.328 -0.146 0.000 0.997 230 H CA 0.514 56.491 56.048 -0.119 0.000 1.177 230 H CB 0.911 30.605 29.762 -0.114 0.000 1.471 230 H HN -0.434 7.721 8.280 0.036 0.146 0.538 231 L N -1.797 119.359 121.223 -0.113 0.000 2.461 231 L HA -0.314 3.940 4.340 -0.144 0.000 0.259 231 L C 0.574 177.390 176.870 -0.090 0.000 1.248 231 L CA 0.899 55.653 54.840 -0.143 0.000 0.823 231 L CB 0.223 42.157 42.059 -0.208 0.000 1.111 231 L HN -0.446 7.574 8.230 -0.148 0.122 0.516 232 Q N -0.694 119.063 119.800 -0.073 0.000 2.046 232 Q HA -0.233 4.070 4.340 -0.062 0.000 0.200 232 Q C 0.560 176.519 176.000 -0.068 0.000 0.975 232 Q CA 2.698 58.460 55.803 -0.069 0.000 0.836 232 Q CB 0.620 29.308 28.738 -0.085 0.000 0.896 232 Q HN 0.220 8.452 8.270 -0.064 0.000 0.428 233 R N -3.700 116.761 120.500 -0.066 0.000 2.494 233 R HA 0.491 4.809 4.340 -0.037 0.000 0.284 233 R C -1.874 174.385 176.300 -0.069 0.000 1.525 233 R CA -2.814 53.256 56.100 -0.050 0.000 1.460 233 R CB -1.255 29.027 30.300 -0.029 0.000 1.134 233 R HN -0.235 7.995 8.270 -0.067 0.000 0.592 234 P HA -0.115 4.407 4.420 -0.092 -0.157 0.219 234 P C -0.506 176.746 177.300 -0.081 0.000 1.145 234 P CA 1.689 64.740 63.100 -0.082 0.000 0.813 234 P CB 0.246 31.897 31.700 -0.082 0.000 0.771 235 D N -5.271 115.088 120.400 -0.069 0.000 2.328 235 D HA -0.082 4.517 4.640 -0.068 0.000 0.221 235 D C 0.108 176.252 176.300 -0.259 0.000 1.072 235 D CA -0.710 53.248 54.000 -0.070 0.000 0.850 235 D CB -1.083 39.744 40.800 0.046 0.000 0.922 235 D HN -0.182 8.102 8.370 -0.046 0.059 0.516 236 I N 2.745 123.098 120.570 -0.362 0.000 2.322 236 I HA 0.122 3.476 4.170 -1.361 0.000 0.292 236 I C -1.329 174.426 176.117 -0.603 0.000 1.060 236 I CA -1.725 59.131 61.300 -0.741 0.000 1.309 236 I CB -0.146 37.582 38.000 -0.455 0.000 1.415 236 I HN -0.596 7.408 8.210 -0.240 0.063 0.492 237 P HA 0.012 4.263 4.420 -0.282 0.000 0.272 237 P C -1.289 175.916 177.300 -0.158 0.000 1.254 237 P CA -0.772 62.064 63.100 -0.439 0.000 0.795 237 P CB 0.583 31.968 31.700 -0.525 0.000 1.022 238 D N -2.089 118.289 120.400 -0.036 0.000 2.341 238 D HA -0.230 4.585 4.640 0.041 -0.151 0.235 238 D C 0.169 176.538 176.300 0.115 0.000 1.265 238 D CA 1.057 55.083 54.000 0.044 0.000 0.888 238 D CB 0.492 41.318 40.800 0.043 0.000 1.192 238 D HN -0.035 8.302 8.370 -0.055 0.000 0.462 239 V N -0.104 119.800 119.914 -0.016 0.000 2.370 239 V HA -0.058 3.868 4.120 -0.323 0.000 0.279 239 V C -0.402 175.649 176.094 -0.071 0.000 1.029 239 V CA -0.235 61.946 62.300 -0.199 0.000 0.870 239 V CB 0.954 32.580 31.823 -0.328 0.000 0.984 239 V HN -0.394 7.782 8.190 -0.024 0.000 0.451 240 D N 6.140 126.504 120.400 -0.060 0.000 2.262 240 D HA 0.042 4.762 4.640 0.133 0.000 0.212 240 D C -0.924 175.317 176.300 -0.099 0.000 0.964 240 D CA 2.503 56.510 54.000 0.012 0.000 0.875 240 D CB 2.193 42.996 40.800 0.005 0.000 0.996 240 D HN -0.029 8.288 8.370 -0.087 0.000 0.497 241 L N -1.568 119.514 121.223 -0.234 0.000 2.376 241 L HA 0.315 4.581 4.340 -0.123 0.000 0.275 241 L C -2.954 173.839 176.870 -0.129 0.000 0.987 241 L CA -0.881 53.834 54.840 -0.208 0.000 0.828 241 L CB 2.690 44.544 42.059 -0.342 0.000 1.249 241 L HN -0.689 7.398 8.230 -0.238 0.000 0.409 242 F N 8.351 128.148 119.950 -0.255 0.000 2.375 242 F HA 0.570 5.180 4.527 -0.124 -0.157 0.361 242 F C -2.412 173.369 175.800 -0.031 0.000 1.117 242 F CA -2.070 55.826 58.000 -0.174 0.000 1.037 242 F CB 2.798 41.601 39.000 -0.328 0.000 1.192 242 F HN 0.329 8.601 8.300 -0.047 0.000 0.452 243 L N 6.098 127.166 121.223 -0.259 0.000 2.334 243 L HA 1.012 5.616 4.340 0.046 -0.237 0.270 243 L C -1.212 175.605 176.870 -0.088 0.000 1.018 243 L CA -1.901 52.894 54.840 -0.075 0.000 0.811 243 L CB 2.938 44.968 42.059 -0.049 0.000 1.271 243 L HN 0.288 8.248 8.230 -0.451 0.000 0.443 244 R N -0.741 119.863 120.500 0.174 0.000 2.680 244 R HA 0.676 5.163 4.340 -0.020 -0.159 0.269 244 R C -1.441 174.954 176.300 0.159 0.000 1.026 244 R CA -0.978 55.221 56.100 0.165 0.000 0.889 244 R CB 4.022 34.560 30.300 0.397 0.000 1.241 244 R HN -0.120 8.303 8.270 0.255 0.000 0.463 245 T N -0.396 114.190 114.554 0.052 0.000 2.902 245 T HA 0.743 5.338 4.350 0.136 -0.163 0.287 245 T C 1.071 175.831 174.700 0.100 0.000 1.048 245 T CA -2.020 60.134 62.100 0.090 0.000 0.941 245 T CB 2.176 71.091 68.868 0.078 0.000 1.432 245 T HN -0.195 8.036 8.240 -0.014 0.000 0.586 246 S N -1.879 113.890 115.700 0.115 0.000 3.256 246 S HA -0.528 4.187 4.470 0.107 -0.181 0.386 246 S C 1.137 175.779 174.600 0.070 0.000 1.056 246 S CA 1.280 59.535 58.200 0.091 0.000 1.087 246 S CB -1.874 61.364 63.200 0.063 0.000 0.890 246 S HN 0.298 8.692 8.310 0.140 0.000 0.496 247 G N -3.123 105.739 108.800 0.104 0.000 2.200 247 G HA2 -0.561 3.450 3.960 0.085 0.000 0.268 247 G HA3 -0.561 3.496 3.960 0.161 0.000 0.268 247 G C -0.611 174.279 174.900 -0.016 0.000 0.986 247 G CA 0.781 45.938 45.100 0.094 0.000 0.677 247 G HN -0.142 8.171 8.290 0.141 0.062 0.532 248 E N 1.407 121.576 120.200 -0.051 0.000 2.159 248 E HA -0.149 4.113 4.350 -0.147 0.000 0.272 248 E C -0.203 176.172 176.600 -0.375 0.000 1.138 248 E CA -0.505 55.807 56.400 -0.148 0.000 0.915 248 E CB -0.197 29.450 29.700 -0.087 0.000 1.028 248 E HN -0.706 7.571 8.360 -0.008 0.078 0.423 249 Q N 6.157 125.599 119.800 -0.597 0.000 3.027 249 Q HA 0.049 2.852 4.340 -2.563 0.000 0.260 249 Q C -0.315 175.149 176.000 -0.893 0.000 1.379 249 Q CA -0.366 54.607 55.803 -1.383 0.000 1.038 249 Q CB -0.954 27.183 28.738 -1.002 0.000 1.578 249 Q HN 0.399 8.415 8.270 -0.424 0.000 0.571 250 R N 0.878 121.037 120.500 -0.569 0.000 2.698 250 R HA 0.211 4.390 4.340 -0.269 0.000 0.275 250 R C -0.095 176.224 176.300 0.031 0.000 1.001 250 R CA -1.092 54.873 56.100 -0.226 0.000 0.896 250 R CB 2.924 33.151 30.300 -0.122 0.000 1.218 250 R HN -0.447 7.490 8.270 -0.487 0.041 0.462 251 S N 3.308 119.004 115.700 -0.007 0.000 2.377 251 S HA -0.145 4.366 4.470 0.070 0.000 0.223 251 S C 0.221 175.015 174.600 0.324 0.000 1.030 251 S CA 1.894 60.120 58.200 0.044 0.000 0.970 251 S CB 0.260 63.343 63.200 -0.194 0.000 0.830 251 S HN 0.518 8.772 8.310 -0.094 0.000 0.473 252 S N -0.666 115.158 115.700 0.206 0.000 3.696 252 S HA -0.178 4.394 4.470 0.170 0.000 0.302 252 S C -1.294 173.519 174.600 0.354 0.000 1.182 252 S CA 0.228 58.587 58.200 0.264 0.000 0.857 252 S CB -1.313 62.078 63.200 0.318 0.000 0.960 252 S HN 0.066 8.443 8.310 0.111 0.000 0.559 253 N N -5.523 113.331 118.700 0.257 0.000 2.850 253 N HA -0.297 4.543 4.740 0.167 0.000 0.249 253 N C -1.775 173.946 175.510 0.352 0.000 1.060 253 N CA 1.329 54.522 53.050 0.238 0.000 0.825 253 N CB -0.320 38.291 38.487 0.206 0.000 1.132 253 N HN -0.000 8.493 8.380 0.188 0.000 0.564 254 F N 0.069 120.118 119.950 0.165 0.000 2.391 254 F HA 0.099 4.595 4.527 -0.053 0.000 0.359 254 F C -0.482 175.379 175.800 0.102 0.000 1.122 254 F CA -0.423 57.569 58.000 -0.012 0.000 1.120 254 F CB 0.605 39.498 39.000 -0.178 0.000 1.142 254 F HN -0.873 7.671 8.300 0.454 0.029 0.483 255 M N 3.025 122.409 119.600 -0.359 0.000 2.302 255 M HA -0.458 4.036 4.480 -0.202 -0.135 0.200 255 M C -0.366 175.919 176.300 -0.023 0.000 0.366 255 M CA 0.295 55.407 55.300 -0.314 0.000 0.440 255 M CB -3.209 29.012 32.600 -0.632 0.000 1.475 255 M HN 0.606 8.731 8.290 -0.276 0.000 0.905 256 L N 0.986 122.284 121.223 0.123 0.000 1.951 256 L HA -0.332 4.042 4.340 0.058 0.000 0.222 256 L C 1.376 178.314 176.870 0.114 0.000 1.078 256 L CA 4.294 59.199 54.840 0.107 0.000 0.778 256 L CB -0.212 41.930 42.059 0.138 0.000 0.893 256 L HN -0.346 8.014 8.230 0.213 -0.002 0.436 257 W N -1.840 119.453 121.300 -0.011 0.000 2.363 257 W HA -0.392 4.256 4.660 -0.020 0.000 0.296 257 W C 1.651 178.153 176.519 -0.028 0.000 1.212 257 W CA 3.062 60.397 57.345 -0.017 0.000 1.260 257 W CB -0.530 28.928 29.460 -0.004 0.000 1.131 257 W HN 0.027 8.422 8.180 0.358 0.000 0.530 258 Q N -1.166 118.792 119.800 0.263 0.000 2.135 258 Q HA -0.321 4.151 4.340 0.220 0.000 0.204 258 Q C 1.631 177.622 176.000 -0.015 0.000 0.981 258 Q CA 3.028 58.910 55.803 0.133 0.000 0.856 258 Q CB -0.414 28.354 28.738 0.049 0.000 0.902 258 Q HN 0.225 8.658 8.270 0.271 0.000 0.425 259 A N -4.126 118.654 122.820 -0.066 0.000 2.545 259 A HA 0.347 4.612 4.320 -0.092 0.000 0.277 259 A C -0.148 177.348 177.584 -0.145 0.000 1.301 259 A CA -1.755 50.214 52.037 -0.114 0.000 0.935 259 A CB -1.118 17.792 19.000 -0.151 0.000 1.093 259 A HN -0.426 7.666 8.150 -0.051 0.028 0.519 260 A N 0.796 123.513 122.820 -0.170 0.000 1.958 260 A HA -0.280 3.880 4.320 -0.267 0.000 0.221 260 A C 0.236 177.600 177.584 -0.366 0.000 1.178 260 A CA 2.845 54.710 52.037 -0.286 0.000 0.642 260 A CB -0.071 18.704 19.000 -0.376 0.000 0.816 260 A HN -0.515 7.471 8.150 -0.176 0.058 0.453 261 Y N -3.661 116.599 120.300 -0.066 0.000 2.736 261 Y HA 0.073 4.588 4.550 -0.058 0.000 0.293 261 Y C -2.090 173.773 175.900 -0.061 0.000 1.062 261 Y CA -1.590 56.495 58.100 -0.026 0.000 1.247 261 Y CB -0.810 37.735 38.460 0.142 0.000 1.200 261 Y HN -0.264 8.046 8.280 0.079 0.017 0.552 262 A N -0.693 122.082 122.820 -0.075 0.000 2.331 262 A HA 0.211 4.614 4.320 -0.046 -0.110 0.283 262 A C 0.105 177.513 177.584 -0.294 0.000 1.142 262 A CA -1.327 50.604 52.037 -0.177 0.000 0.812 262 A CB 1.071 19.887 19.000 -0.307 0.000 1.074 262 A HN -0.458 7.599 8.150 -0.156 0.000 0.497 263 E N 2.098 122.223 120.200 -0.125 0.000 2.404 263 E HA -0.018 4.289 4.350 -0.072 0.000 0.261 263 E C -1.407 175.057 176.600 -0.227 0.000 1.074 263 E CA -0.251 56.102 56.400 -0.079 0.000 0.917 263 E CB 1.052 30.830 29.700 0.130 0.000 0.965 263 E HN 0.021 8.379 8.360 -0.002 0.000 0.433 264 Y N -1.076 119.185 120.300 -0.064 0.000 2.468 264 Y HA 0.591 5.208 4.550 -0.144 -0.153 0.342 264 Y C -0.277 175.405 175.900 -0.363 0.000 1.021 264 Y CA -0.643 57.308 58.100 -0.248 0.000 1.079 264 Y CB 3.360 41.582 38.460 -0.396 0.000 1.226 264 Y HN 0.295 8.610 8.280 0.058 0.000 0.460 265 I N -0.510 119.869 120.570 -0.319 0.000 2.586 265 I HA 0.208 4.254 4.170 -0.206 0.000 0.288 265 I C -2.393 173.573 176.117 -0.251 0.000 1.147 265 I CA 0.043 61.205 61.300 -0.230 0.000 1.047 265 I CB 4.070 42.066 38.000 -0.006 0.000 1.244 265 I HN 0.143 8.175 8.210 -0.296 0.000 0.429 266 F N 5.358 125.420 119.950 0.186 0.000 2.359 266 F HA 0.495 5.244 4.527 0.167 -0.122 0.370 266 F C -0.089 175.790 175.800 0.132 0.000 1.077 266 F CA -2.540 55.552 58.000 0.154 0.000 1.136 266 F CB 0.015 39.086 39.000 0.119 0.000 1.387 266 F HN 0.407 8.737 8.300 0.051 0.000 0.468 267 Q N 4.879 124.860 119.800 0.302 0.000 2.304 267 Q HA 0.066 4.540 4.340 0.224 0.000 0.260 267 Q C 0.468 176.604 176.000 0.227 0.000 0.965 267 Q CA -0.214 55.741 55.803 0.253 0.000 0.898 267 Q CB 2.015 30.940 28.738 0.312 0.000 1.196 267 Q HN -0.148 8.302 8.270 0.300 0.000 0.402 268 D N 5.666 126.178 120.400 0.187 0.000 2.183 268 D HA -0.243 4.555 4.640 0.141 -0.073 0.203 268 D C 0.756 177.150 176.300 0.156 0.000 0.969 268 D CA 2.932 57.022 54.000 0.150 0.000 0.842 268 D CB 0.079 40.949 40.800 0.117 0.000 0.957 268 D HN 0.359 8.834 8.370 0.175 0.000 0.484 269 K N -1.117 119.397 120.400 0.189 0.000 2.494 269 K HA -0.237 4.184 4.320 0.168 0.000 0.273 269 K C -0.218 176.519 176.600 0.229 0.000 0.970 269 K CA 0.873 57.285 56.287 0.208 0.000 0.963 269 K CB 0.385 33.037 32.500 0.253 0.000 0.913 269 K HN -0.367 8.003 8.250 0.200 0.000 0.502 270 L N -1.207 120.149 121.223 0.222 0.000 2.439 270 L HA 0.025 4.490 4.340 0.207 0.000 0.259 270 L C 0.182 177.202 176.870 0.251 0.000 1.129 270 L CA -0.788 54.191 54.840 0.231 0.000 0.803 270 L CB 0.504 42.723 42.059 0.266 0.000 1.161 270 L HN -0.019 8.339 8.230 0.214 0.000 0.462 271 W N 1.794 123.087 121.300 -0.011 0.000 2.381 271 W HA -0.052 4.572 4.660 -0.059 0.000 0.301 271 W C -0.641 175.840 176.519 -0.063 0.000 1.205 271 W CA 4.055 61.360 57.345 -0.067 0.000 1.285 271 W CB -1.667 27.708 29.460 -0.142 0.000 1.133 271 W HN -0.076 8.287 8.180 0.306 0.000 0.521 272 P HA -0.146 3.904 4.420 -0.617 0.000 0.226 272 P C -0.800 176.262 177.300 -0.396 0.000 1.153 272 P CA 1.608 64.339 63.100 -0.615 0.000 0.777 272 P CB -0.603 30.326 31.700 -1.286 0.000 0.794 273 D N -3.750 116.564 120.400 -0.142 0.000 2.271 273 D HA -0.055 4.596 4.640 0.018 0.000 0.206 273 D C -0.294 175.971 176.300 -0.058 0.000 0.967 273 D CA 0.679 54.681 54.000 0.004 0.000 0.867 273 D CB 0.343 41.228 40.800 0.142 0.000 0.960 273 D HN -0.410 7.881 8.370 -0.068 0.038 0.509 274 Y N 1.194 121.334 120.300 -0.266 0.000 2.652 274 Y HA -0.353 4.268 4.550 -0.173 -0.174 0.344 274 Y C -0.788 174.903 175.900 -0.348 0.000 1.254 274 Y CA 2.044 59.963 58.100 -0.302 0.000 1.480 274 Y CB 0.899 39.106 38.460 -0.422 0.000 1.345 274 Y HN -0.619 7.512 8.280 -0.041 0.124 0.617 275 D N -1.074 118.966 120.400 -0.600 0.000 2.692 275 D HA 0.214 4.686 4.640 -0.280 0.000 0.303 275 D C 0.003 175.914 176.300 -0.648 0.000 1.278 275 D CA -1.450 52.290 54.000 -0.433 0.000 0.852 275 D CB 2.495 43.148 40.800 -0.244 0.000 1.375 275 D HN -0.474 7.479 8.370 -1.058 -0.218 0.453 276 R N -2.374 117.728 120.500 -0.662 0.000 2.189 276 R HA -0.256 3.650 4.340 -0.723 0.000 0.223 276 R C 1.972 177.332 176.300 -1.567 0.000 1.092 276 R CA 2.980 58.492 56.100 -0.981 0.000 0.989 276 R CB -0.204 29.562 30.300 -0.890 0.000 0.876 276 R HN 0.149 8.076 8.270 -0.572 0.000 0.457 277 R N -0.927 118.838 120.500 -1.225 0.000 2.152 277 R HA -0.290 3.564 4.340 -0.810 0.000 0.232 277 R C 2.267 178.287 176.300 -0.467 0.000 1.117 277 R CA 3.162 58.795 56.100 -0.778 0.000 0.981 277 R CB -0.545 29.497 30.300 -0.431 0.000 0.870 277 R HN -0.329 7.438 8.270 -1.075 -0.141 0.451 278 D N 0.219 120.264 120.400 -0.592 0.000 2.084 278 D HA -0.167 4.306 4.640 -0.278 0.000 0.199 278 D C 1.884 178.032 176.300 -0.254 0.000 0.981 278 D CA 2.653 56.374 54.000 -0.466 0.000 0.841 278 D CB -0.414 39.806 40.800 -0.965 0.000 0.997 278 D HN -0.759 7.321 8.370 -0.740 -0.154 0.454 279 L N 0.649 121.694 121.223 -0.296 0.000 2.026 279 L HA -0.423 4.020 4.340 0.171 0.000 0.231 279 L C 2.393 179.310 176.870 0.079 0.000 1.095 279 L CA 3.114 57.942 54.840 -0.019 0.000 0.810 279 L CB -0.279 41.723 42.059 -0.096 0.000 0.909 279 L HN -0.879 7.055 8.230 -0.493 0.000 0.444 280 W N -3.376 117.929 121.300 0.008 0.000 2.318 280 W HA -0.413 4.262 4.660 0.026 0.000 0.313 280 W C 1.852 178.384 176.519 0.022 0.000 1.221 280 W CA 1.824 59.175 57.345 0.012 0.000 1.266 280 W CB -1.959 27.494 29.460 -0.012 0.000 1.150 280 W HN -0.457 7.487 8.180 -0.394 0.000 0.496 281 A N -2.064 120.890 122.820 0.222 0.000 1.927 281 A HA -0.331 4.080 4.320 0.152 0.000 0.220 281 A C 0.936 178.602 177.584 0.137 0.000 1.185 281 A CA 2.559 54.681 52.037 0.142 0.000 0.639 281 A CB -1.025 18.017 19.000 0.069 0.000 0.820 281 A HN -0.698 7.551 8.150 0.165 0.000 0.451 282 A N -3.944 118.959 122.820 0.138 0.000 1.969 282 A HA -0.140 4.259 4.320 0.132 0.000 0.218 282 A C 1.130 178.808 177.584 0.157 0.000 1.169 282 A CA 2.233 54.354 52.037 0.141 0.000 0.635 282 A CB 0.445 19.534 19.000 0.149 0.000 0.810 282 A HN -0.362 7.766 8.150 0.129 0.100 0.445 283 C N -3.201 116.201 119.300 0.169 0.000 2.448 283 C HA -0.307 4.253 4.460 0.166 0.000 0.280 283 C C 1.551 176.666 174.990 0.208 0.000 1.398 283 C CA 4.197 63.322 59.018 0.179 0.000 1.774 283 C CB -0.229 27.611 27.740 0.167 0.000 1.888 283 C HN -0.396 7.860 8.230 0.182 0.083 0.519 284 E N -2.273 118.030 120.200 0.171 0.000 2.494 284 E HA -0.206 4.220 4.350 0.126 0.000 0.193 284 E C -0.423 176.248 176.600 0.117 0.000 1.074 284 E CA 1.505 57.985 56.400 0.133 0.000 0.867 284 E CB -0.552 29.217 29.700 0.115 0.000 0.924 284 E HN -0.363 7.957 8.360 0.172 0.144 0.502 285 E N -2.428 117.857 120.200 0.142 0.000 2.391 285 E HA 0.002 4.402 4.350 0.084 0.000 0.206 285 E C 0.854 177.530 176.600 0.127 0.000 0.851 285 E CA 0.564 57.033 56.400 0.114 0.000 1.059 285 E CB 1.564 31.329 29.700 0.109 0.000 1.065 285 E HN -0.633 7.634 8.360 0.172 0.197 0.512 286 Y N -0.323 119.998 120.300 0.035 0.000 2.516 286 Y HA -0.207 4.349 4.550 0.010 0.000 0.291 286 Y C -0.127 175.788 175.900 0.024 0.000 1.131 286 Y CA 1.904 60.017 58.100 0.022 0.000 1.281 286 Y CB 0.380 38.855 38.460 0.025 0.000 1.013 286 Y HN -0.609 7.864 8.280 0.322 0.000 0.554 287 A N -2.948 119.914 122.820 0.070 0.000 2.072 287 A HA 0.038 4.262 4.320 -0.159 0.000 0.216 287 A C 0.016 177.551 177.584 -0.082 0.000 1.156 287 A CA 0.940 52.960 52.037 -0.028 0.000 0.701 287 A CB -0.011 19.057 19.000 0.114 0.000 0.816 287 A HN -0.735 7.492 8.150 0.188 0.036 0.458 288 S N -2.012 113.658 115.700 -0.051 0.000 2.357 288 S HA -0.144 4.303 4.470 -0.038 0.000 0.221 288 S C 0.442 174.985 174.600 -0.094 0.000 1.031 288 S CA 1.811 59.982 58.200 -0.049 0.000 0.982 288 S CB 0.245 63.437 63.200 -0.014 0.000 0.853 288 S HN -0.509 7.792 8.310 -0.015 0.000 0.458 289 R N 1.008 121.427 120.500 -0.135 0.000 2.566 289 R HA -0.192 4.081 4.340 -0.111 0.000 0.273 289 R C -0.359 175.819 176.300 -0.203 0.000 0.981 289 R CA 0.609 56.610 56.100 -0.164 0.000 1.091 289 R CB -0.069 30.110 30.300 -0.202 0.000 0.924 289 R HN -0.804 7.390 8.270 -0.126 0.000 0.411 290 T N 4.276 118.741 114.554 -0.147 0.000 2.829 290 T HA 0.205 4.469 4.350 -0.143 0.000 0.282 290 T C 0.071 174.671 174.700 -0.166 0.000 0.990 290 T CA -0.528 61.491 62.100 -0.135 0.000 1.028 290 T CB 0.789 69.608 68.868 -0.082 0.000 0.951 290 T HN 0.122 8.291 8.240 -0.117 0.000 0.460 291 R N 3.999 124.393 120.500 -0.177 0.000 2.664 291 R HA 0.248 4.373 4.340 -0.359 0.000 0.286 291 R C -0.096 176.062 176.300 -0.237 0.000 0.967 291 R CA -0.330 55.575 56.100 -0.325 0.000 0.933 291 R CB 1.737 31.759 30.300 -0.463 0.000 1.146 291 R HN 0.215 8.409 8.270 -0.126 0.000 0.468 292 R N 1.012 121.289 120.500 -0.370 0.000 2.350 292 R HA 0.120 4.480 4.340 0.033 0.000 0.199 292 R C -0.248 176.078 176.300 0.043 0.000 0.876 292 R CA -0.280 55.769 56.100 -0.086 0.000 1.062 292 R CB 1.243 31.499 30.300 -0.073 0.000 1.263 292 R HN 0.320 8.254 8.270 -0.561 0.000 0.641 293 F N -3.395 116.462 119.950 -0.154 0.000 3.100 293 F HA -0.295 3.874 4.527 -0.596 0.000 0.283 293 F C -0.043 175.601 175.800 -0.259 0.000 0.900 293 F CA 0.881 58.632 58.000 -0.415 0.000 1.010 293 F CB -2.099 36.583 39.000 -0.531 0.000 1.029 293 F HN -0.067 7.832 8.300 -0.668 0.000 0.637 294 G N -4.167 104.646 108.800 0.022 0.000 2.131 294 G HA2 -0.333 3.660 3.960 0.055 0.000 0.223 294 G HA3 -0.333 3.659 3.960 0.053 0.000 0.223 294 G C -0.621 174.296 174.900 0.028 0.000 0.990 294 G CA -0.546 44.580 45.100 0.044 0.000 0.671 294 G HN -0.070 8.192 8.290 0.001 0.028 0.521 295 S N 1.527 117.244 115.700 0.029 0.000 2.661 295 S HA 0.074 4.553 4.470 0.015 0.000 0.265 295 S C 0.385 174.992 174.600 0.012 0.000 1.225 295 S CA -0.499 57.714 58.200 0.021 0.000 0.986 295 S CB 1.657 64.874 63.200 0.029 0.000 1.008 295 S HN -0.648 7.578 8.310 0.037 0.106 0.565 296 A N 0.000 122.825 122.820 0.008 0.000 2.254 296 A HA 0.000 4.323 4.320 0.005 0.000 0.244 296 A CA 0.000 52.040 52.037 0.005 0.000 0.836 296 A CB 0.000 19.002 19.000 0.003 0.000 0.831 296 A HN 0.000 8.155 8.150 0.008 0.000 0.486