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 2ffy_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDAKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 4.307 4.320 -0.022 0.000 0.244 4 A C 0.000 177.514 177.584 -0.116 0.000 1.274 4 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 4 A CB 0.000 18.967 19.000 -0.054 0.000 0.831 5 P HA 0.047 4.387 4.420 -0.134 0.000 0.261 5 P C 0.161 177.367 177.300 -0.157 0.000 1.173 5 P CA -0.587 62.382 63.100 -0.218 0.000 0.760 5 P CB 0.909 32.394 31.700 -0.358 0.000 0.783 6 Q N 4.700 124.447 119.800 -0.089 0.000 2.170 6 Q HA -0.434 3.898 4.340 -0.014 0.000 0.203 6 Q C 1.962 177.923 176.000 -0.065 0.000 0.976 6 Q CA 3.573 59.349 55.803 -0.045 0.000 0.858 6 Q CB 0.013 28.736 28.738 -0.026 0.000 0.907 6 Q HN 0.502 8.724 8.270 -0.078 0.000 0.433 7 Q N -1.703 118.028 119.800 -0.115 0.000 2.124 7 Q HA -0.262 4.031 4.340 -0.079 0.000 0.202 7 Q C 2.212 178.124 176.000 -0.147 0.000 0.977 7 Q CA 3.223 58.952 55.803 -0.122 0.000 0.850 7 Q CB -0.439 28.207 28.738 -0.154 0.000 0.901 7 Q HN 0.415 8.591 8.270 -0.132 0.015 0.429 8 I N -1.271 119.168 120.570 -0.218 0.000 2.233 8 I HA -0.495 3.552 4.170 -0.205 0.000 0.243 8 I C 1.587 177.648 176.117 -0.092 0.000 1.093 8 I CA 3.676 64.855 61.300 -0.202 0.000 1.380 8 I CB -0.313 37.492 38.000 -0.325 0.000 1.067 8 I HN -0.623 7.414 8.210 -0.267 0.013 0.413 9 N N 0.029 118.752 118.700 0.038 0.000 2.036 9 N HA -0.401 4.533 4.740 0.323 0.000 0.195 9 N C 1.359 176.945 175.510 0.127 0.000 1.037 9 N CA 3.591 56.762 53.050 0.201 0.000 0.855 9 N CB 0.002 38.632 38.487 0.238 0.000 1.033 9 N HN -0.388 7.993 8.380 0.003 0.000 0.423 10 D N -1.372 119.062 120.400 0.057 0.000 2.097 10 D HA -0.161 4.542 4.640 0.105 0.000 0.197 10 D C 2.114 178.427 176.300 0.021 0.000 0.984 10 D CA 3.094 57.127 54.000 0.056 0.000 0.826 10 D CB 0.117 40.931 40.800 0.022 0.000 0.973 10 D HN -0.135 8.250 8.370 0.024 0.000 0.460 11 I N 0.213 120.761 120.570 -0.037 0.000 2.394 11 I HA -0.341 3.821 4.170 -0.015 0.000 0.251 11 I C 1.160 177.230 176.117 -0.078 0.000 1.136 11 I CA 1.626 62.900 61.300 -0.043 0.000 1.425 11 I CB -0.028 37.942 38.000 -0.050 0.000 1.079 11 I HN -0.603 7.574 8.210 -0.055 0.000 0.425 12 V N 2.005 121.804 119.914 -0.193 0.000 2.270 12 V HA -0.695 3.292 4.120 -0.222 0.000 0.245 12 V C 2.158 178.131 176.094 -0.201 0.000 1.043 12 V CA 4.657 66.761 62.300 -0.326 0.000 1.014 12 V CB -0.808 30.499 31.823 -0.860 0.000 0.645 12 V HN -0.163 7.897 8.190 -0.216 0.000 0.447 13 H N 1.327 120.366 119.070 -0.053 0.000 2.353 13 H HA -0.137 4.579 4.556 0.267 0.000 0.300 13 H C 2.986 178.335 175.328 0.035 0.000 1.090 13 H CA 2.162 58.279 56.048 0.115 0.000 1.327 13 H CB -0.136 29.720 29.762 0.156 0.000 1.383 13 H HN 0.159 nan 8.280 nan 0.000 0.508 14 R N -2.666 117.903 120.500 0.115 0.000 2.280 14 R HA -0.191 4.192 4.340 0.072 0.000 0.207 14 R C 1.296 177.604 176.300 0.015 0.000 1.043 14 R CA 2.230 58.367 56.100 0.061 0.000 1.006 14 R CB -0.051 30.278 30.300 0.049 0.000 0.885 14 R HN 0.077 8.413 8.270 0.110 0.000 0.467 15 T N 0.934 115.480 114.554 -0.014 0.000 2.953 15 T HA -0.104 4.239 4.350 -0.011 0.000 0.247 15 T C 1.104 175.744 174.700 -0.099 0.000 1.029 15 T CA 3.540 65.620 62.100 -0.032 0.000 1.144 15 T CB 1.024 69.884 68.868 -0.013 0.000 0.870 15 T HN -0.507 7.682 8.240 -0.018 0.041 0.446 16 I N 0.944 121.403 120.570 -0.186 0.000 2.406 16 I HA -0.222 3.753 4.170 -0.326 0.000 0.249 16 I C 1.510 177.359 176.117 -0.447 0.000 1.122 16 I CA 1.444 62.503 61.300 -0.402 0.000 1.431 16 I CB -1.411 36.157 38.000 -0.721 0.000 1.087 16 I HN 0.191 8.308 8.210 -0.155 0.000 0.424 17 T N 1.705 116.089 114.554 -0.283 0.000 2.684 17 T HA -0.184 3.964 4.350 -0.338 0.000 0.267 17 T C -1.014 173.595 174.700 -0.152 0.000 1.036 17 T CA 7.020 69.001 62.100 -0.198 0.000 1.148 17 T CB -1.562 67.319 68.868 0.023 0.000 0.863 17 T HN -0.250 7.894 8.240 -0.161 0.000 0.436 18 P HA 0.100 4.632 4.420 -0.062 -0.149 0.222 18 P C 1.019 178.255 177.300 -0.107 0.000 1.153 18 P CA 2.109 65.163 63.100 -0.076 0.000 0.798 18 P CB -0.167 31.509 31.700 -0.041 0.000 0.796 19 L N 0.002 121.136 121.223 -0.149 0.000 2.017 19 L HA -0.238 4.026 4.340 -0.127 0.000 0.208 19 L C 1.667 178.391 176.870 -0.243 0.000 1.073 19 L CA 3.152 57.885 54.840 -0.178 0.000 0.745 19 L CB -0.207 41.733 42.059 -0.198 0.000 0.894 19 L HN -0.880 7.160 8.230 -0.158 0.095 0.432 20 I N -1.795 118.604 120.570 -0.286 0.000 2.286 20 I HA -0.591 3.402 4.170 -0.295 0.000 0.248 20 I C 2.094 178.117 176.117 -0.157 0.000 1.115 20 I CA 4.481 65.626 61.300 -0.258 0.000 1.392 20 I CB -0.424 37.400 38.000 -0.293 0.000 1.065 20 I HN -0.074 7.944 8.210 -0.320 0.000 0.418 21 E N -0.285 119.844 120.200 -0.118 0.000 2.047 21 E HA -0.290 4.027 4.350 -0.054 0.000 0.191 21 E C 2.498 179.060 176.600 -0.064 0.000 0.987 21 E CA 3.140 59.499 56.400 -0.068 0.000 0.799 21 E CB -0.339 29.333 29.700 -0.046 0.000 0.752 21 E HN -0.732 7.549 8.360 -0.131 0.000 0.449 22 Q N -1.774 117.983 119.800 -0.071 0.000 2.172 22 Q HA -0.186 4.133 4.340 -0.034 0.000 0.200 22 Q C 2.085 178.057 176.000 -0.047 0.000 0.964 22 Q CA 2.272 58.046 55.803 -0.047 0.000 0.855 22 Q CB 0.475 29.190 28.738 -0.038 0.000 0.918 22 Q HN -0.170 8.049 8.270 -0.085 0.000 0.444 23 Q N -4.154 115.593 119.800 -0.089 0.000 2.319 23 Q HA 0.104 4.431 4.340 -0.022 0.000 0.202 23 Q C -0.965 174.995 176.000 -0.066 0.000 0.896 23 Q CA -0.725 55.031 55.803 -0.079 0.000 0.942 23 Q CB 0.539 29.166 28.738 -0.186 0.000 1.083 23 Q HN -0.562 7.611 8.270 -0.127 0.021 0.510 24 K N -4.699 115.659 120.400 -0.070 0.000 3.096 24 K HA -0.437 3.888 4.320 -0.048 -0.034 0.266 24 K C -1.020 175.552 176.600 -0.047 0.000 1.043 24 K CA 0.667 56.925 56.287 -0.047 0.000 0.758 24 K CB -3.046 29.439 32.500 -0.025 0.000 1.260 24 K HN -0.493 7.604 8.250 -0.079 0.106 0.481 25 I N -1.100 119.420 120.570 -0.083 0.000 2.396 25 I HA -0.009 4.153 4.170 -0.014 0.000 0.289 25 I C -1.314 174.807 176.117 0.006 0.000 1.056 25 I CA -1.786 59.482 61.300 -0.054 0.000 1.365 25 I CB 0.270 38.176 38.000 -0.157 0.000 1.407 25 I HN -0.736 7.402 8.210 -0.120 0.000 0.509 26 P HA -0.045 4.382 4.420 0.010 0.000 0.216 26 P C -1.033 176.370 177.300 0.172 0.000 1.153 26 P CA 0.901 64.022 63.100 0.036 0.000 0.844 26 P CB 0.756 32.376 31.700 -0.133 0.000 0.787 27 G N -4.911 104.030 108.800 0.236 0.000 2.733 27 G HA2 0.659 4.972 3.960 0.313 0.000 0.297 27 G HA3 0.659 4.989 3.960 0.365 -0.151 0.297 27 G C -3.354 171.799 174.900 0.421 0.000 1.422 27 G CA -0.189 45.113 45.100 0.337 0.000 0.942 27 G HN -0.471 8.108 8.290 0.226 -0.154 0.510 28 M N 1.412 121.296 119.600 0.473 0.000 2.465 28 M HA 0.905 5.779 4.480 0.340 -0.190 0.284 28 M C -3.131 173.491 176.300 0.536 0.000 1.212 28 M CA -0.691 54.859 55.300 0.417 0.000 0.910 28 M CB 5.051 37.785 32.600 0.223 0.000 1.725 28 M HN 0.316 8.902 8.290 0.495 0.000 0.477 29 A N 2.830 125.832 122.820 0.305 0.000 2.371 29 A HA 1.019 5.786 4.320 0.450 -0.176 0.311 29 A C -2.831 174.946 177.584 0.320 0.000 1.068 29 A CA -2.063 50.171 52.037 0.329 0.000 0.744 29 A CB 3.791 22.930 19.000 0.233 0.000 1.239 29 A HN 0.736 8.916 8.150 0.051 0.000 0.435 30 V N 1.795 121.993 119.914 0.474 0.000 2.789 30 V HA 0.961 5.493 4.120 0.332 -0.214 0.311 30 V C -1.996 174.377 176.094 0.466 0.000 1.073 30 V CA -2.349 60.214 62.300 0.440 0.000 0.921 30 V CB 4.627 36.747 31.823 0.495 0.000 1.009 30 V HN 0.536 9.038 8.190 0.519 0.000 0.426 31 A N 5.495 128.532 122.820 0.361 0.000 2.355 31 A HA 0.968 5.672 4.320 0.285 -0.213 0.317 31 A C -1.877 175.840 177.584 0.222 0.000 1.094 31 A CA -2.287 49.919 52.037 0.282 0.000 0.764 31 A CB 3.838 22.983 19.000 0.241 0.000 1.230 31 A HN 0.593 8.926 8.150 0.306 0.000 0.448 32 V N 3.184 123.232 119.914 0.224 0.000 2.459 32 V HA 0.598 4.977 4.120 0.160 -0.163 0.295 32 V C -1.359 174.837 176.094 0.170 0.000 1.029 32 V CA -2.076 60.347 62.300 0.206 0.000 0.874 32 V CB 2.488 34.462 31.823 0.250 0.000 0.985 32 V HN 0.272 8.614 8.190 0.254 0.000 0.438 33 I N 7.643 128.279 120.570 0.110 0.000 2.312 33 I HA 0.326 4.933 4.170 0.048 -0.407 0.290 33 I C -1.576 174.634 176.117 0.155 0.000 1.008 33 I CA -1.366 59.974 61.300 0.066 0.000 1.226 33 I CB 0.589 38.566 38.000 -0.038 0.000 1.371 33 I HN 0.638 8.796 8.210 0.090 0.107 0.468 34 Y N 8.737 129.094 120.300 0.095 0.000 2.363 34 Y HA 0.314 4.881 4.550 0.028 0.000 0.325 34 Y C -1.260 174.684 175.900 0.074 0.000 0.984 34 Y CA -1.388 56.769 58.100 0.095 0.000 1.248 34 Y CB 3.040 41.586 38.460 0.143 0.000 1.116 34 Y HN 0.628 9.088 8.280 0.300 0.000 0.470 35 Q N 7.247 126.856 119.800 -0.317 0.000 2.435 35 Q HA -0.515 3.675 4.340 -0.251 0.000 0.312 35 Q C -0.222 175.714 176.000 -0.106 0.000 1.333 35 Q CA 1.238 56.891 55.803 -0.249 0.000 0.883 35 Q CB -2.838 25.702 28.738 -0.330 0.000 1.170 35 Q HN 0.624 8.667 8.270 -0.378 0.000 0.443 36 G N -4.300 104.443 108.800 -0.094 0.000 2.157 36 G HA2 -0.541 3.356 3.960 -0.104 0.000 0.248 36 G HA3 -0.541 3.368 3.960 -0.084 0.000 0.248 36 G C -1.822 173.025 174.900 -0.088 0.000 0.979 36 G CA 0.087 45.133 45.100 -0.089 0.000 0.650 36 G HN 0.115 8.343 8.290 -0.103 0.000 0.529 37 K N -0.602 119.747 120.400 -0.084 0.000 2.427 37 K HA 0.443 4.627 4.320 -0.228 0.000 0.252 37 K C -2.862 173.517 176.600 -0.367 0.000 0.931 37 K CA -3.413 52.736 56.287 -0.230 0.000 0.793 37 K CB 2.436 34.774 32.500 -0.271 0.000 1.211 37 K HN -0.464 7.715 8.250 -0.025 0.056 0.426 38 P HA 0.591 4.959 4.420 -0.395 -0.185 0.286 38 P C -1.320 175.308 177.300 -1.120 0.000 1.261 38 P CA -1.128 61.593 63.100 -0.632 0.000 0.821 38 P CB 1.138 32.513 31.700 -0.542 0.000 1.013 39 Y N 0.371 120.363 120.300 -0.513 0.000 2.406 39 Y HA 0.258 4.502 4.550 -0.510 0.000 0.340 39 Y C -1.365 174.163 175.900 -0.620 0.000 0.975 39 Y CA -1.218 56.593 58.100 -0.482 0.000 1.056 39 Y CB 3.640 42.021 38.460 -0.132 0.000 1.210 39 Y HN 0.480 8.553 8.280 -0.346 0.000 0.448 40 Y N -0.117 120.002 120.300 -0.302 0.000 2.468 40 Y HA 0.871 5.578 4.550 -0.028 -0.174 0.342 40 Y C -0.102 175.338 175.900 -0.768 0.000 1.021 40 Y CA -2.325 55.600 58.100 -0.292 0.000 1.079 40 Y CB 3.705 42.067 38.460 -0.163 0.000 1.226 40 Y HN 0.093 8.116 8.280 -0.429 0.000 0.460 41 F N -0.107 119.891 119.950 0.081 0.000 2.591 41 F HA 0.418 4.764 4.527 -0.302 0.000 0.309 41 F C -1.804 173.770 175.800 -0.376 0.000 1.098 41 F CA -0.342 57.487 58.000 -0.285 0.000 0.937 41 F CB 4.688 43.427 39.000 -0.435 0.000 1.250 41 F HN 0.363 8.840 8.300 0.295 0.000 0.447 42 T N -2.103 112.148 114.554 -0.504 0.000 2.900 42 T HA 0.823 5.394 4.350 0.085 -0.170 0.303 42 T C -1.678 172.754 174.700 -0.447 0.000 1.142 42 T CA -1.667 60.297 62.100 -0.227 0.000 1.007 42 T CB 2.938 71.805 68.868 -0.002 0.000 1.156 42 T HN 0.092 7.971 8.240 -0.601 0.000 0.490 43 W N 2.350 123.734 121.300 0.140 0.000 3.107 43 W HA 0.354 5.065 4.660 0.084 0.000 0.331 43 W C -0.605 175.944 176.519 0.049 0.000 1.204 43 W CA -0.081 57.322 57.345 0.097 0.000 1.184 43 W CB 4.147 33.672 29.460 0.109 0.000 1.421 43 W HN 0.495 8.981 8.180 0.510 0.000 0.544 44 G N 1.520 110.430 108.800 0.183 0.000 2.562 44 G HA2 -0.443 3.556 3.960 0.067 0.000 0.250 44 G HA3 -0.443 3.805 3.960 0.224 -0.154 0.250 44 G C -1.772 172.990 174.900 -0.230 0.000 1.269 44 G CA 0.212 45.355 45.100 0.071 0.000 0.919 44 G HN 0.215 8.600 8.290 0.158 0.000 0.574 45 Y N -0.033 120.358 120.300 0.152 0.000 2.364 45 Y HA 0.289 5.042 4.550 0.130 -0.125 0.340 45 Y C 0.258 176.261 175.900 0.172 0.000 0.975 45 Y CA -1.077 57.100 58.100 0.129 0.000 1.089 45 Y CB 2.157 40.654 38.460 0.061 0.000 1.192 45 Y HN -0.166 8.187 8.280 0.308 0.111 0.454 46 A N 2.840 125.814 122.820 0.258 0.000 1.970 46 A HA -0.114 4.324 4.320 0.195 0.000 0.216 46 A C -1.512 176.295 177.584 0.372 0.000 1.170 46 A CA 1.620 53.795 52.037 0.230 0.000 0.645 46 A CB 0.987 20.055 19.000 0.113 0.000 0.816 46 A HN 0.604 8.870 8.150 0.193 0.000 0.447 47 D N -3.905 116.737 120.400 0.404 0.000 2.479 47 D HA 0.439 5.411 4.640 0.554 0.000 0.246 47 D C 0.090 176.566 176.300 0.293 0.000 1.336 47 D CA -1.378 52.880 54.000 0.430 0.000 0.967 47 D CB 1.145 42.189 40.800 0.406 0.000 1.275 47 D HN -0.756 7.849 8.370 0.391 0.000 0.577 48 I N 5.556 126.238 120.570 0.186 0.000 2.179 48 I HA -0.511 3.523 4.170 -0.226 0.000 0.242 48 I C 1.851 177.906 176.117 -0.104 0.000 1.088 48 I CA 3.847 65.083 61.300 -0.106 0.000 1.357 48 I CB 0.088 37.922 38.000 -0.278 0.000 1.051 48 I HN 0.431 8.832 8.210 0.319 0.000 0.409 49 A N -0.723 122.074 122.820 -0.038 0.000 1.933 49 A HA -0.196 4.073 4.320 -0.085 0.000 0.218 49 A C 0.849 178.419 177.584 -0.023 0.000 1.175 49 A CA 2.630 54.632 52.037 -0.059 0.000 0.628 49 A CB -0.594 18.356 19.000 -0.083 0.000 0.814 49 A HN -0.051 8.162 8.150 0.008 -0.058 0.444 50 K N -4.704 115.717 120.400 0.036 0.000 2.417 50 K HA 0.032 4.377 4.320 0.041 0.000 0.196 50 K C -1.027 175.635 176.600 0.103 0.000 1.023 50 K CA -0.625 55.704 56.287 0.069 0.000 1.122 50 K CB 0.199 32.760 32.500 0.101 0.000 0.850 50 K HN -0.580 8.047 8.250 0.062 -0.340 0.521 51 K N -3.901 116.560 120.400 0.102 0.000 3.035 51 K HA -0.385 4.012 4.320 0.127 0.000 0.262 51 K C -0.637 176.188 176.600 0.375 0.000 1.024 51 K CA 0.965 57.376 56.287 0.208 0.000 0.748 51 K CB -2.829 29.750 32.500 0.132 0.000 1.247 51 K HN -0.516 7.569 8.250 0.046 0.192 0.482 52 Q N -2.405 117.604 119.800 0.349 0.000 2.296 52 Q HA 0.427 4.875 4.340 0.179 0.000 0.257 52 Q C -1.979 174.134 176.000 0.189 0.000 0.942 52 Q CA -2.873 53.071 55.803 0.236 0.000 0.939 52 Q CB 0.420 29.273 28.738 0.192 0.000 1.198 52 Q HN -0.496 7.957 8.270 0.336 0.019 0.429 53 P HA 0.138 4.427 4.420 -0.457 -0.143 0.276 53 P C -0.914 176.365 177.300 -0.035 0.000 1.244 53 P CA -1.094 61.897 63.100 -0.182 0.000 0.801 53 P CB 1.144 32.741 31.700 -0.172 0.000 1.006 54 V N 1.776 121.685 119.914 -0.009 0.000 2.585 54 V HA -0.240 3.948 4.120 0.114 0.000 0.296 54 V C 0.213 176.350 176.094 0.073 0.000 1.035 54 V CA 0.811 63.179 62.300 0.113 0.000 1.084 54 V CB -0.632 31.359 31.823 0.280 0.000 0.953 54 V HN 0.030 8.178 8.190 -0.070 0.000 0.483 55 T N 0.992 115.594 114.554 0.080 0.000 2.858 55 T HA 0.479 4.833 4.350 0.006 0.000 0.285 55 T C 1.247 175.971 174.700 0.039 0.000 1.052 55 T CA -2.930 59.188 62.100 0.029 0.000 1.009 55 T CB 2.833 71.697 68.868 -0.008 0.000 1.241 55 T HN 0.245 8.545 8.240 0.100 0.000 0.542 56 Q N -0.806 118.963 119.800 -0.053 0.000 2.437 56 Q HA -0.209 4.067 4.340 -0.107 0.000 0.210 56 Q C 0.788 176.716 176.000 -0.120 0.000 0.972 56 Q CA 3.147 58.864 55.803 -0.142 0.000 0.903 56 Q CB -0.476 28.070 28.738 -0.320 0.000 0.967 56 Q HN 0.564 8.790 8.270 -0.074 0.000 0.486 57 Q N -4.139 115.614 119.800 -0.079 0.000 2.282 57 Q HA 0.112 4.368 4.340 -0.140 0.000 0.206 57 Q C 0.099 176.098 176.000 -0.002 0.000 0.878 57 Q CA -0.667 55.083 55.803 -0.089 0.000 0.944 57 Q CB 0.554 29.220 28.738 -0.120 0.000 1.100 57 Q HN -0.654 7.518 8.270 -0.062 0.061 0.509 58 T N 3.649 118.237 114.554 0.057 0.000 2.888 58 T HA -0.222 4.459 4.350 0.014 -0.322 0.301 58 T C -0.598 174.154 174.700 0.086 0.000 1.001 58 T CA 2.370 64.495 62.100 0.043 0.000 1.147 58 T CB 0.609 69.483 68.868 0.009 0.000 0.931 58 T HN -0.726 7.397 8.240 0.074 0.161 0.541 59 L N 5.875 127.114 121.223 0.027 0.000 2.305 59 L HA 0.119 4.739 4.340 0.146 -0.192 0.281 59 L C -0.964 175.896 176.870 -0.017 0.000 1.085 59 L CA -0.392 54.485 54.840 0.061 0.000 0.813 59 L CB 0.724 42.766 42.059 -0.028 0.000 1.157 59 L HN 0.846 8.974 8.230 0.017 0.112 0.436 60 F N 1.831 121.835 119.950 0.090 0.000 2.522 60 F HA 0.349 4.953 4.527 0.127 0.000 0.324 60 F C -0.424 175.189 175.800 -0.312 0.000 1.077 60 F CA -1.441 56.578 58.000 0.031 0.000 0.944 60 F CB 3.712 42.861 39.000 0.248 0.000 1.175 60 F HN 0.555 9.078 8.300 0.372 0.000 0.468 61 E N 1.786 121.521 120.200 -0.774 0.000 2.257 61 E HA -0.018 4.156 4.350 -0.294 0.000 0.278 61 E C -0.450 176.092 176.600 -0.095 0.000 1.049 61 E CA 0.599 56.703 56.400 -0.493 0.000 0.876 61 E CB -0.149 29.137 29.700 -0.690 0.000 1.035 61 E HN 0.279 7.502 8.360 -1.896 0.000 0.419 62 L N 2.858 124.091 121.223 0.017 0.000 2.418 62 L HA -0.060 4.375 4.340 0.159 0.000 0.218 62 L C 1.144 178.112 176.870 0.163 0.000 1.125 62 L CA 0.814 55.727 54.840 0.121 0.000 0.835 62 L CB 0.497 42.625 42.059 0.115 0.000 0.953 62 L HN 0.147 8.362 8.230 -0.025 0.000 0.454 63 G N -2.625 106.272 108.800 0.162 0.000 2.596 63 G HA2 -0.577 3.651 3.960 0.253 0.000 0.295 63 G HA3 -0.577 3.540 3.960 0.201 -0.036 0.295 63 G C 0.583 175.626 174.900 0.239 0.000 1.240 63 G CA 0.981 46.211 45.100 0.216 0.000 0.985 63 G HN -0.443 7.876 8.290 0.122 0.045 0.555 64 S N 3.687 119.528 115.700 0.236 0.000 2.547 64 S HA 0.054 4.871 4.470 0.276 -0.181 0.235 64 S C 2.683 177.408 174.600 0.208 0.000 0.980 64 S CA 2.312 60.665 58.200 0.255 0.000 0.941 64 S CB -0.460 62.926 63.200 0.310 0.000 0.763 64 S HN 0.256 8.771 8.310 0.214 -0.076 0.532 65 V N 2.854 122.879 119.914 0.183 0.000 2.720 65 V HA -0.425 3.747 4.120 0.087 0.000 0.256 65 V C 1.533 177.739 176.094 0.187 0.000 1.082 65 V CA 2.604 64.993 62.300 0.149 0.000 1.101 65 V CB -1.506 30.426 31.823 0.182 0.000 0.693 65 V HN -0.368 7.898 8.190 0.191 0.039 0.479 66 S N 0.736 116.573 115.700 0.228 0.000 2.420 66 S HA -0.392 4.314 4.470 0.394 0.000 0.237 66 S C 1.068 175.822 174.600 0.257 0.000 1.023 66 S CA 4.051 62.414 58.200 0.271 0.000 0.991 66 S CB -0.547 62.751 63.200 0.163 0.000 0.792 66 S HN 0.060 8.464 8.310 0.207 0.030 0.488 67 K N 0.166 120.673 120.400 0.179 0.000 2.209 67 K HA -0.229 4.196 4.320 0.175 0.000 0.204 67 K C 2.166 178.798 176.600 0.054 0.000 1.048 67 K CA 2.971 59.349 56.287 0.151 0.000 0.940 67 K CB -0.216 32.399 32.500 0.191 0.000 0.729 67 K HN -0.425 7.782 8.250 0.180 0.151 0.451 68 T N -1.752 112.731 114.554 -0.117 0.000 2.821 68 T HA -0.212 3.834 4.350 -0.506 0.000 0.267 68 T C 1.493 176.191 174.700 -0.003 0.000 1.046 68 T CA 3.661 65.519 62.100 -0.404 0.000 1.139 68 T CB -0.049 68.186 68.868 -1.054 0.000 0.871 68 T HN -0.279 7.882 8.240 -0.088 0.026 0.454 69 F N 1.821 121.817 119.950 0.077 0.000 2.146 69 F HA -0.263 4.316 4.527 0.087 0.000 0.298 69 F C 1.964 177.820 175.800 0.093 0.000 1.096 69 F CA 3.971 61.978 58.000 0.012 0.000 1.275 69 F CB -0.397 38.491 39.000 -0.188 0.000 1.008 69 F HN -0.818 7.572 8.300 0.149 0.000 0.480 70 T N 2.173 116.918 114.554 0.319 0.000 2.720 70 T HA -0.475 4.089 4.350 0.357 0.000 0.268 70 T C 2.057 176.942 174.700 0.309 0.000 1.037 70 T CA 5.408 67.706 62.100 0.329 0.000 1.144 70 T CB -0.341 68.718 68.868 0.319 0.000 0.864 70 T HN -0.315 8.118 8.240 0.322 0.000 0.444 71 G N 0.844 109.794 108.800 0.251 0.000 2.418 71 G HA2 -0.247 3.902 3.960 0.314 0.000 0.217 71 G HA3 -0.247 3.912 3.960 0.160 -0.102 0.217 71 G C 1.124 176.182 174.900 0.262 0.000 1.158 71 G CA 1.985 47.231 45.100 0.244 0.000 0.771 71 G HN -0.150 8.257 8.290 0.195 0.000 0.545 72 V N 3.849 123.926 119.914 0.271 0.000 2.427 72 V HA -0.228 4.044 4.120 0.253 0.000 0.248 72 V C 1.999 178.212 176.094 0.199 0.000 1.051 72 V CA 3.003 65.470 62.300 0.278 0.000 1.048 72 V CB -0.618 31.460 31.823 0.425 0.000 0.666 72 V HN -0.386 7.970 8.190 0.276 0.000 0.456 73 L N 0.594 121.908 121.223 0.153 0.000 2.046 73 L HA -0.317 4.022 4.340 -0.001 0.000 0.208 73 L C 1.444 178.328 176.870 0.023 0.000 1.077 73 L CA 3.098 57.950 54.840 0.021 0.000 0.747 73 L CB -0.670 41.321 42.059 -0.112 0.000 0.896 73 L HN 0.228 8.569 8.230 0.185 0.000 0.432 74 G N -2.587 106.279 108.800 0.111 0.000 2.418 74 G HA2 -0.389 3.528 3.960 -0.071 0.000 0.217 74 G HA3 -0.389 3.776 3.960 0.343 0.000 0.217 74 G C 1.099 176.104 174.900 0.174 0.000 1.158 74 G CA 2.230 47.407 45.100 0.129 0.000 0.771 74 G HN 0.100 8.502 8.290 0.187 0.000 0.545 75 G N 1.144 110.061 108.800 0.195 0.000 2.440 75 G HA2 -0.438 3.617 3.960 0.159 0.000 0.218 75 G HA3 -0.438 3.776 3.960 0.159 -0.158 0.218 75 G C 0.340 175.297 174.900 0.096 0.000 1.154 75 G CA 1.765 46.957 45.100 0.152 0.000 0.767 75 G HN -0.032 8.325 8.290 0.223 0.067 0.552 76 D N 2.634 123.078 120.400 0.073 0.000 2.117 76 D HA -0.263 4.569 4.640 0.039 -0.169 0.197 76 D C 1.958 178.262 176.300 0.007 0.000 0.987 76 D CA 3.299 57.319 54.000 0.033 0.000 0.829 76 D CB 0.194 41.006 40.800 0.019 0.000 0.961 76 D HN -0.039 8.384 8.370 0.087 0.000 0.460 77 A N -0.933 121.880 122.820 -0.011 0.000 1.930 77 A HA -0.238 4.054 4.320 -0.046 0.000 0.217 77 A C 1.898 179.478 177.584 -0.007 0.000 1.175 77 A CA 2.873 54.886 52.037 -0.039 0.000 0.627 77 A CB -0.345 18.595 19.000 -0.101 0.000 0.815 77 A HN -0.542 7.521 8.150 -0.008 0.082 0.443 78 I N -0.939 119.649 120.570 0.030 0.000 2.179 78 I HA -0.362 4.055 4.170 0.046 -0.219 0.242 78 I C 2.903 179.045 176.117 0.042 0.000 1.088 78 I CA 3.640 64.971 61.300 0.051 0.000 1.357 78 I CB -0.086 37.965 38.000 0.086 0.000 1.051 78 I HN -0.291 7.947 8.210 0.045 0.000 0.409 79 A N -0.149 122.695 122.820 0.040 0.000 1.972 79 A HA -0.203 4.137 4.320 0.033 0.000 0.219 79 A C 1.318 178.913 177.584 0.018 0.000 1.169 79 A CA 2.436 54.491 52.037 0.031 0.000 0.635 79 A CB -0.380 18.639 19.000 0.031 0.000 0.810 79 A HN -0.094 8.083 8.150 0.045 0.000 0.446 80 R N -3.315 117.191 120.500 0.010 0.000 2.280 80 R HA -0.065 4.276 4.340 0.002 0.000 0.207 80 R C 0.239 176.544 176.300 0.009 0.000 1.043 80 R CA 0.141 56.242 56.100 0.002 0.000 1.006 80 R CB 0.152 30.445 30.300 -0.011 0.000 0.885 80 R HN -0.196 7.974 8.270 0.009 0.105 0.467 81 G N -1.729 107.082 108.800 0.019 0.000 2.143 81 G HA2 -0.370 3.667 3.960 0.036 0.000 0.248 81 G HA3 -0.370 3.606 3.960 0.026 0.000 0.248 81 G C 0.358 175.278 174.900 0.034 0.000 0.991 81 G CA 0.615 45.732 45.100 0.029 0.000 0.689 81 G HN -0.262 7.844 8.290 0.021 0.197 0.522 82 E N -0.868 119.345 120.200 0.020 0.000 2.112 82 E HA -0.112 4.260 4.350 0.037 0.000 0.190 82 E C 0.509 177.142 176.600 0.054 0.000 0.979 82 E CA 1.183 57.596 56.400 0.022 0.000 0.814 82 E CB 0.807 30.492 29.700 -0.024 0.000 0.762 82 E HN -0.185 8.134 8.360 0.009 0.047 0.460 83 I N -9.347 111.240 120.570 0.028 0.000 3.074 83 I HA 0.641 4.927 4.170 0.193 0.000 0.310 83 I C -1.887 174.287 176.117 0.095 0.000 1.153 83 I CA -2.391 58.939 61.300 0.050 0.000 0.993 83 I CB 4.475 42.366 38.000 -0.182 0.000 1.237 83 I HN -0.874 7.344 8.210 0.014 0.000 0.443 84 K N 1.264 121.755 120.400 0.152 0.000 2.371 84 K HA 0.428 4.811 4.320 0.105 0.000 0.251 84 K C 0.745 177.429 176.600 0.141 0.000 0.934 84 K CA -1.592 54.773 56.287 0.129 0.000 0.798 84 K CB 3.070 35.644 32.500 0.123 0.000 1.204 84 K HN 0.040 8.703 8.250 0.224 -0.279 0.427 85 L N 1.761 123.050 121.223 0.110 0.000 2.275 85 L HA -0.298 4.111 4.340 0.115 0.000 0.215 85 L C 0.561 177.471 176.870 0.066 0.000 1.119 85 L CA 2.763 57.651 54.840 0.080 0.000 0.790 85 L CB -0.629 41.434 42.059 0.006 0.000 0.919 85 L HN 0.453 8.743 8.230 0.099 0.000 0.443 86 S N -6.143 109.603 115.700 0.078 0.000 2.561 86 S HA -0.100 4.396 4.470 0.044 0.000 0.225 86 S C 0.501 175.168 174.600 0.110 0.000 0.977 86 S CA 0.055 58.298 58.200 0.072 0.000 0.926 86 S CB -0.829 62.409 63.200 0.064 0.000 0.769 86 S HN -0.166 8.158 8.310 0.084 0.036 0.533 87 D N 5.275 125.771 120.400 0.159 0.000 2.341 87 D HA 0.454 5.176 4.640 0.136 0.000 0.245 87 D C -2.301 174.125 176.300 0.210 0.000 1.106 87 D CA -1.310 52.800 54.000 0.185 0.000 0.905 87 D CB 0.283 41.227 40.800 0.240 0.000 1.202 87 D HN -0.527 7.774 8.370 0.172 0.173 0.426 88 P HA 0.054 4.727 4.420 0.234 -0.113 0.269 88 P C 1.028 178.475 177.300 0.244 0.000 1.209 88 P CA 0.565 63.785 63.100 0.201 0.000 0.776 88 P CB 0.853 32.640 31.700 0.146 0.000 0.876 89 T N 5.116 119.850 114.554 0.300 0.000 2.699 89 T HA -0.429 4.126 4.350 0.342 0.000 0.268 89 T C 1.829 176.658 174.700 0.215 0.000 1.036 89 T CA 5.570 67.850 62.100 0.300 0.000 1.147 89 T CB -0.231 68.837 68.868 0.334 0.000 0.862 89 T HN 0.481 8.919 8.240 0.330 0.000 0.446 90 T N -4.003 110.637 114.554 0.144 0.000 2.977 90 T HA -0.307 4.238 4.350 0.042 -0.170 0.271 90 T C 1.052 175.754 174.700 0.004 0.000 1.105 90 T CA 1.941 64.078 62.100 0.061 0.000 1.116 90 T CB -0.407 68.490 68.868 0.049 0.000 0.878 90 T HN 0.112 8.445 8.240 0.181 0.015 0.509 91 K N 1.459 121.813 120.400 -0.075 0.000 2.147 91 K HA -0.287 3.898 4.320 -0.226 0.000 0.205 91 K C 1.185 177.483 176.600 -0.503 0.000 1.049 91 K CA 2.431 58.516 56.287 -0.336 0.000 0.936 91 K CB 0.066 32.272 32.500 -0.490 0.000 0.722 91 K HN -0.540 7.558 8.250 -0.009 0.146 0.446 92 Y N -6.465 113.874 120.300 0.066 0.000 2.458 92 Y HA -0.043 4.518 4.550 0.018 0.000 0.254 92 Y C -0.712 175.246 175.900 0.096 0.000 1.120 92 Y CA 0.449 58.571 58.100 0.038 0.000 1.282 92 Y CB 1.464 39.919 38.460 -0.010 0.000 1.109 92 Y HN -0.687 7.566 8.280 -0.003 0.025 0.526 93 W N 0.153 121.447 121.300 -0.010 0.000 1.949 93 W HA 0.559 5.187 4.660 -0.053 0.000 0.299 93 W C -2.194 174.266 176.519 -0.098 0.000 0.959 93 W CA -4.012 53.289 57.345 -0.073 0.000 1.665 93 W CB 0.882 30.254 29.460 -0.147 0.000 1.829 93 W HN -0.739 7.487 8.180 0.253 0.106 0.375 94 P HA 0.061 4.570 4.420 -0.014 -0.098 0.226 94 P C -0.818 176.433 177.300 -0.082 0.000 1.153 94 P CA 1.319 64.423 63.100 0.007 0.000 0.777 94 P CB 0.218 31.930 31.700 0.020 0.000 0.794 95 E N -3.160 116.963 120.200 -0.128 0.000 2.409 95 E HA -0.155 4.108 4.350 -0.144 0.000 0.198 95 E C 0.393 176.715 176.600 -0.464 0.000 1.024 95 E CA 0.577 56.828 56.400 -0.249 0.000 0.861 95 E CB -0.743 28.851 29.700 -0.177 0.000 0.788 95 E HN 0.140 8.451 8.360 0.000 0.049 0.521 96 L N -0.238 120.598 121.223 -0.645 0.000 2.384 96 L HA -0.013 4.014 4.340 -0.722 -0.121 0.258 96 L C 0.145 176.829 176.870 -0.310 0.000 1.266 96 L CA -0.207 54.228 54.840 -0.675 0.000 1.162 96 L CB -1.386 40.105 42.059 -0.946 0.000 1.375 96 L HN -0.612 7.088 8.230 -0.621 0.157 0.420 97 T N -2.283 112.161 114.554 -0.182 0.000 3.065 97 T HA -0.035 4.291 4.350 -0.039 0.000 0.252 97 T C 0.538 175.255 174.700 0.028 0.000 1.099 97 T CA -0.421 61.646 62.100 -0.055 0.000 1.063 97 T CB 0.880 69.716 68.868 -0.054 0.000 0.948 97 T HN -0.413 7.725 8.240 -0.213 -0.026 0.506 98 A N 2.969 125.835 122.820 0.077 0.000 2.498 98 A HA -0.039 4.329 4.320 0.081 0.000 0.239 98 A C 0.687 178.390 177.584 0.198 0.000 1.068 98 A CA 0.191 52.317 52.037 0.148 0.000 0.766 98 A CB 0.985 20.094 19.000 0.182 0.000 1.003 98 A HN -0.402 8.031 8.150 0.031 -0.265 0.497 99 K N 4.879 125.337 120.400 0.096 0.000 2.074 99 K HA -0.376 3.987 4.320 0.071 0.000 0.209 99 K C 1.587 178.209 176.600 0.036 0.000 1.048 99 K CA 2.449 58.770 56.287 0.057 0.000 0.926 99 K CB -0.440 32.064 32.500 0.007 0.000 0.713 99 K HN 0.366 8.654 8.250 0.063 0.000 0.444 100 Q N -1.577 118.203 119.800 -0.034 0.000 2.364 100 Q HA -0.214 4.016 4.340 -0.183 0.000 0.209 100 Q C 0.468 176.334 176.000 -0.223 0.000 0.977 100 Q CA 1.700 57.378 55.803 -0.207 0.000 0.885 100 Q CB -1.709 26.776 28.738 -0.421 0.000 0.941 100 Q HN 0.308 8.539 8.270 -0.007 0.035 0.464 101 W N -2.146 119.189 121.300 0.058 0.000 2.800 101 W HA -0.102 4.657 4.660 0.165 0.000 0.249 101 W C -0.577 175.995 176.519 0.089 0.000 1.294 101 W CA 1.272 58.681 57.345 0.106 0.000 1.402 101 W CB 0.154 29.665 29.460 0.084 0.000 1.126 101 W HN -0.638 7.602 8.180 0.280 0.108 0.652 102 N N -0.381 118.436 118.700 0.195 0.000 2.440 102 N HA -0.185 4.657 4.740 0.170 0.000 0.265 102 N C 0.787 176.372 175.510 0.126 0.000 1.239 102 N CA 1.621 54.759 53.050 0.146 0.000 0.909 102 N CB -0.623 37.917 38.487 0.089 0.000 1.066 102 N HN -0.542 7.890 8.380 0.158 0.042 0.474 103 G N 0.348 109.245 108.800 0.162 0.000 2.175 103 G HA2 -0.344 3.726 3.960 0.184 0.000 0.244 103 G HA3 -0.344 3.694 3.960 0.130 0.000 0.244 103 G C -0.634 174.413 174.900 0.246 0.000 0.982 103 G CA -0.123 45.081 45.100 0.174 0.000 0.641 103 G HN 0.204 8.599 8.290 0.175 0.000 0.527 104 I N 3.232 123.971 120.570 0.281 0.000 2.301 104 I HA 0.062 4.497 4.170 0.441 0.000 0.292 104 I C -0.766 175.642 176.117 0.485 0.000 1.046 104 I CA -0.607 60.929 61.300 0.394 0.000 1.282 104 I CB -0.319 37.851 38.000 0.283 0.000 1.409 104 I HN -0.438 7.875 8.210 0.273 0.060 0.484 105 T N 3.402 118.290 114.554 0.556 0.000 2.897 105 T HA 0.670 5.423 4.350 0.286 -0.232 0.278 105 T C 1.321 176.164 174.700 0.238 0.000 0.981 105 T CA -2.728 59.539 62.100 0.277 0.000 0.973 105 T CB 3.053 71.967 68.868 0.077 0.000 1.092 105 T HN 0.184 9.030 8.240 1.010 0.000 0.543 106 L N -0.621 120.729 121.223 0.211 0.000 2.079 106 L HA -0.306 4.211 4.340 0.296 0.000 0.210 106 L C 2.287 179.183 176.870 0.044 0.000 1.081 106 L CA 3.262 58.242 54.840 0.232 0.000 0.752 106 L CB -0.619 41.619 42.059 0.299 0.000 0.896 106 L HN 0.243 8.604 8.230 0.218 0.000 0.433 107 L N 0.058 121.241 121.223 -0.066 0.000 2.013 107 L HA -0.475 3.682 4.340 -0.304 0.000 0.212 107 L C 1.959 178.770 176.870 -0.098 0.000 1.073 107 L CA 2.878 57.604 54.840 -0.191 0.000 0.753 107 L CB -1.159 40.789 42.059 -0.184 0.000 0.890 107 L HN -0.332 7.870 8.230 -0.033 0.008 0.432 108 H N -0.394 118.746 119.070 0.116 0.000 2.319 108 H HA -0.167 4.457 4.556 0.113 0.000 0.299 108 H C 2.963 178.292 175.328 0.001 0.000 1.092 108 H CA 1.899 58.005 56.048 0.097 0.000 1.302 108 H CB 0.006 29.846 29.762 0.132 0.000 1.373 108 H HN -0.044 nan 8.280 nan 0.000 0.497 109 L N 0.007 121.319 121.223 0.148 0.000 2.012 109 L HA -0.290 4.114 4.340 0.107 0.000 0.210 109 L C 2.536 179.323 176.870 -0.138 0.000 1.073 109 L CA 2.157 57.047 54.840 0.084 0.000 0.748 109 L CB -0.029 42.150 42.059 0.200 0.000 0.891 109 L HN -0.228 8.121 8.230 0.199 0.000 0.431 110 A N -2.616 119.963 122.820 -0.402 0.000 2.019 110 A HA -0.260 3.617 4.320 -0.738 0.000 0.219 110 A C 0.551 177.719 177.584 -0.694 0.000 1.164 110 A CA 2.997 54.559 52.037 -0.791 0.000 0.644 110 A CB -0.285 17.869 19.000 -1.410 0.000 0.805 110 A HN 0.022 7.957 8.150 -0.360 0.000 0.449 111 T N -7.783 106.472 114.554 -0.498 0.000 3.132 111 T HA 0.133 4.124 4.350 -0.598 0.000 0.274 111 T C -0.427 174.071 174.700 -0.336 0.000 1.011 111 T CA -1.507 60.342 62.100 -0.418 0.000 0.899 111 T CB 1.142 70.049 68.868 0.064 0.000 1.089 111 T HN -0.770 7.220 8.240 -0.329 0.052 0.543 112 Y N -5.447 114.850 120.300 -0.005 0.000 4.272 112 Y HA -0.388 4.165 4.550 0.005 0.000 0.232 112 Y C -0.664 175.215 175.900 -0.035 0.000 1.149 112 Y CA 0.755 58.855 58.100 -0.000 0.000 1.961 112 Y CB -3.527 34.957 38.460 0.040 0.000 1.611 112 Y HN -0.524 7.533 8.280 -0.372 0.000 0.682 113 T N -5.954 108.602 114.554 0.002 0.000 3.182 113 T HA 0.587 5.081 4.350 -0.109 -0.209 0.277 113 T C 0.399 175.080 174.700 -0.032 0.000 1.013 113 T CA -2.556 59.469 62.100 -0.125 0.000 0.900 113 T CB 0.852 69.373 68.868 -0.578 0.000 1.098 113 T HN -0.207 8.014 8.240 0.008 0.023 0.543 114 A N 1.843 124.702 122.820 0.066 0.000 2.119 114 A HA 0.062 4.341 4.320 -0.068 0.000 0.217 114 A C -0.063 177.586 177.584 0.107 0.000 1.153 114 A CA 1.313 53.371 52.037 0.035 0.000 0.692 114 A CB -0.112 18.910 19.000 0.037 0.000 0.799 114 A HN -0.072 8.135 8.150 0.095 0.000 0.458 115 G N -5.287 103.654 108.800 0.235 0.000 2.188 115 G HA2 -0.150 4.113 3.960 0.505 0.000 0.112 115 G HA3 -0.150 4.060 3.960 0.215 -0.120 0.112 115 G C -1.066 173.981 174.900 0.245 0.000 1.048 115 G CA -0.510 44.794 45.100 0.339 0.000 0.720 115 G HN -0.115 8.267 8.290 0.239 0.051 0.487 116 G N -2.880 106.086 108.800 0.278 0.000 2.215 116 G HA2 -0.392 3.648 3.960 0.133 0.000 0.198 116 G HA3 -0.392 3.295 3.960 -0.456 0.000 0.198 116 G C -0.404 174.623 174.900 0.212 0.000 1.047 116 G CA -0.543 44.571 45.100 0.023 0.000 0.747 116 G HN 0.073 8.581 8.290 0.363 0.000 0.495 117 L N -0.170 121.055 121.223 0.004 0.000 2.543 117 L HA -0.115 3.682 4.340 -0.905 0.000 0.285 117 L C -1.125 175.698 176.870 -0.079 0.000 1.236 117 L CA -1.169 53.431 54.840 -0.399 0.000 0.871 117 L CB -0.136 41.654 42.059 -0.449 0.000 1.121 117 L HN -0.236 8.009 8.230 0.026 0.000 0.501 118 P HA 0.092 4.561 4.420 0.080 0.000 0.276 118 P C 0.280 177.622 177.300 0.071 0.000 1.252 118 P CA -1.312 61.834 63.100 0.077 0.000 0.802 118 P CB 1.191 32.983 31.700 0.154 0.000 1.035 119 L N -1.846 119.415 121.223 0.064 0.000 2.141 119 L HA -0.080 4.262 4.340 0.004 0.000 0.209 119 L C 0.446 177.332 176.870 0.028 0.000 1.094 119 L CA 2.204 57.066 54.840 0.036 0.000 0.763 119 L CB -0.335 41.760 42.059 0.060 0.000 0.908 119 L HN 0.362 8.636 8.230 0.073 0.000 0.437 120 Q N -3.862 115.961 119.800 0.039 0.000 2.397 120 Q HA 0.113 4.466 4.340 0.023 0.000 0.275 120 Q C -1.578 174.404 176.000 -0.031 0.000 1.090 120 Q CA -1.139 54.672 55.803 0.013 0.000 0.809 120 Q CB 3.364 32.097 28.738 -0.008 0.000 1.362 120 Q HN -0.413 7.887 8.270 0.051 0.000 0.431 121 V N 3.709 123.559 119.914 -0.105 0.000 2.555 121 V HA 0.079 3.787 4.120 -0.686 0.000 0.286 121 V C -1.257 174.644 176.094 -0.322 0.000 1.044 121 V CA -2.434 59.624 62.300 -0.404 0.000 1.026 121 V CB -0.172 31.433 31.823 -0.363 0.000 0.981 121 V HN 0.281 8.450 8.190 -0.034 0.000 0.480 122 P HA 0.071 4.418 4.420 -0.120 0.000 0.268 122 P C -0.446 176.761 177.300 -0.156 0.000 1.205 122 P CA -0.207 62.775 63.100 -0.197 0.000 0.771 122 P CB 0.938 32.537 31.700 -0.169 0.000 0.858 123 D N 1.210 121.563 120.400 -0.079 0.000 2.221 123 D HA -0.334 4.282 4.640 -0.041 0.000 0.204 123 D C 0.505 176.777 176.300 -0.046 0.000 0.982 123 D CA 2.434 56.406 54.000 -0.047 0.000 0.857 123 D CB 0.052 40.839 40.800 -0.021 0.000 0.934 123 D HN 0.339 8.671 8.370 -0.063 0.000 0.475 124 E N -5.132 115.038 120.200 -0.050 0.000 2.478 124 E HA -0.190 4.148 4.350 -0.020 0.000 0.198 124 E C 0.087 176.661 176.600 -0.042 0.000 1.046 124 E CA 0.141 56.522 56.400 -0.033 0.000 0.870 124 E CB -0.606 29.084 29.700 -0.017 0.000 0.818 124 E HN 0.039 8.327 8.360 -0.056 0.038 0.527 125 V N 2.866 122.728 119.914 -0.087 0.000 2.397 125 V HA -0.240 3.852 4.120 -0.047 0.000 0.262 125 V C -1.230 174.834 176.094 -0.051 0.000 1.047 125 V CA 0.427 62.676 62.300 -0.085 0.000 1.003 125 V CB -1.473 30.231 31.823 -0.199 0.000 1.037 125 V HN -0.536 7.424 8.190 -0.120 0.158 0.480 126 K N 5.211 125.600 120.400 -0.018 0.000 2.436 126 K HA 0.133 4.445 4.320 -0.013 0.000 0.198 126 K C -0.249 176.353 176.600 0.004 0.000 1.174 126 K CA 0.095 56.377 56.287 -0.007 0.000 0.951 126 K CB 2.312 34.812 32.500 -0.000 0.000 1.040 126 K HN 0.267 8.834 8.250 -0.008 -0.322 0.536 127 S N -1.784 113.927 115.700 0.019 0.000 2.648 127 S HA 0.386 4.868 4.470 0.020 0.000 0.305 127 S C 0.416 175.049 174.600 0.055 0.000 1.094 127 S CA -1.291 56.927 58.200 0.030 0.000 0.983 127 S CB 2.944 66.165 63.200 0.034 0.000 1.101 127 S HN -0.582 8.031 8.310 0.019 -0.291 0.514 128 S N 2.171 117.905 115.700 0.057 0.000 2.383 128 S HA -0.255 4.275 4.470 0.100 0.000 0.229 128 S C 1.906 176.600 174.600 0.158 0.000 1.030 128 S CA 3.420 61.678 58.200 0.097 0.000 1.002 128 S CB -0.834 62.409 63.200 0.071 0.000 0.829 128 S HN 0.432 8.766 8.310 0.040 0.000 0.467 129 S N 0.626 116.395 115.700 0.116 0.000 2.368 129 S HA -0.168 4.385 4.470 0.138 0.000 0.225 129 S C 2.346 177.021 174.600 0.125 0.000 1.030 129 S CA 3.111 61.381 58.200 0.117 0.000 0.999 129 S CB -0.981 62.265 63.200 0.077 0.000 0.844 129 S HN 0.157 8.507 8.310 0.087 0.012 0.459 130 D N 2.909 123.372 120.400 0.105 0.000 2.123 130 D HA -0.264 4.433 4.640 0.094 0.000 0.196 130 D C 2.081 178.476 176.300 0.159 0.000 0.992 130 D CA 3.002 57.063 54.000 0.101 0.000 0.833 130 D CB -0.755 40.077 40.800 0.055 0.000 0.954 130 D HN -0.297 8.125 8.370 0.087 0.000 0.455 131 L N -0.244 121.100 121.223 0.201 0.000 2.056 131 L HA -0.178 4.316 4.340 0.258 0.000 0.207 131 L C 1.499 178.675 176.870 0.511 0.000 1.078 131 L CA 2.874 57.914 54.840 0.332 0.000 0.749 131 L CB -0.034 42.221 42.059 0.327 0.000 0.901 131 L HN -0.474 7.761 8.230 0.175 0.101 0.433 132 L N -1.003 120.484 121.223 0.441 0.000 2.012 132 L HA -0.421 3.954 4.340 0.059 0.000 0.210 132 L C 1.505 178.433 176.870 0.097 0.000 1.073 132 L CA 3.342 58.295 54.840 0.188 0.000 0.748 132 L CB -0.603 41.519 42.059 0.105 0.000 0.891 132 L HN -0.411 8.065 8.230 0.411 0.000 0.431 133 R N -1.268 119.311 120.500 0.132 0.000 2.096 133 R HA -0.475 3.904 4.340 0.065 0.000 0.240 133 R C 2.126 178.517 176.300 0.152 0.000 1.139 133 R CA 3.723 59.889 56.100 0.110 0.000 0.952 133 R CB -0.248 30.116 30.300 0.107 0.000 0.854 133 R HN -0.487 7.873 8.270 0.150 0.000 0.436 134 F N 0.298 120.261 119.950 0.023 0.000 2.065 134 F HA -0.415 4.108 4.527 -0.007 0.000 0.298 134 F C 1.499 177.304 175.800 0.007 0.000 1.112 134 F CA 3.575 61.548 58.000 -0.045 0.000 1.212 134 F CB -0.219 38.672 39.000 -0.182 0.000 0.975 134 F HN -0.458 8.030 8.300 0.313 0.000 0.476 135 Y N -3.465 116.823 120.300 -0.020 0.000 2.242 135 Y HA -0.433 4.053 4.550 -0.108 0.000 0.291 135 Y C 2.861 178.907 175.900 0.243 0.000 1.137 135 Y CA 3.671 61.775 58.100 0.006 0.000 1.181 135 Y CB -0.425 38.013 38.460 -0.036 0.000 0.989 135 Y HN -0.611 7.762 8.280 0.154 0.000 0.527 136 Q N -2.835 117.079 119.800 0.191 0.000 2.124 136 Q HA -0.316 4.178 4.340 0.257 0.000 0.202 136 Q C 1.236 177.351 176.000 0.192 0.000 0.977 136 Q CA 3.115 59.026 55.803 0.179 0.000 0.850 136 Q CB -0.258 28.494 28.738 0.023 0.000 0.901 136 Q HN -0.132 8.196 8.270 0.097 0.000 0.429 137 N N -4.314 114.464 118.700 0.130 0.000 2.424 137 N HA 0.003 4.776 4.740 0.054 0.000 0.178 137 N C -0.171 175.376 175.510 0.062 0.000 1.060 137 N CA 0.422 53.517 53.050 0.075 0.000 0.901 137 N CB 0.841 39.366 38.487 0.063 0.000 0.979 137 N HN -0.473 7.950 8.380 0.113 0.026 0.451 138 W N 3.433 124.658 121.300 -0.126 0.000 2.264 138 W HA -0.181 4.353 4.660 -0.209 0.000 0.331 138 W C -1.636 174.786 176.519 -0.162 0.000 1.364 138 W CA 0.938 58.166 57.345 -0.195 0.000 1.253 138 W CB 0.498 29.794 29.460 -0.274 0.000 1.215 138 W HN -0.650 7.631 8.180 0.236 0.041 0.561 139 Q N 6.859 126.146 119.800 -0.855 0.000 2.368 139 Q HA 0.305 4.103 4.340 -0.902 0.000 0.263 139 Q C -1.997 173.197 176.000 -1.344 0.000 1.009 139 Q CA -3.482 51.758 55.803 -0.939 0.000 0.818 139 Q CB 0.685 29.135 28.738 -0.481 0.000 1.239 139 Q HN -0.007 7.904 8.270 -0.597 0.000 0.464 140 P HA -0.059 3.796 4.420 -1.070 -0.077 0.269 140 P C -1.008 175.875 177.300 -0.694 0.000 1.209 140 P CA -0.344 62.057 63.100 -1.165 0.000 0.776 140 P CB 0.725 31.852 31.700 -0.953 0.000 0.876 141 A N 1.771 124.163 122.820 -0.712 0.000 2.021 141 A HA -0.002 3.986 4.320 -0.553 0.000 0.216 141 A C -0.738 176.491 177.584 -0.591 0.000 1.163 141 A CA 1.222 52.778 52.037 -0.802 0.000 0.676 141 A CB 0.894 19.071 19.000 -1.372 0.000 0.818 141 A HN 0.306 8.022 8.150 -0.725 0.000 0.453 142 W N -4.262 116.975 121.300 -0.106 0.000 3.031 142 W HA 0.292 4.901 4.660 -0.084 0.000 0.337 142 W C -1.662 174.789 176.519 -0.113 0.000 1.187 142 W CA -2.754 54.538 57.345 -0.088 0.000 1.166 142 W CB 2.233 31.659 29.460 -0.057 0.000 1.437 142 W HN -0.770 7.142 8.180 -0.383 0.038 0.551 143 A N 1.563 124.468 122.820 0.142 0.000 2.466 143 A HA 0.014 4.324 4.320 -0.018 0.000 0.238 143 A C -2.095 175.497 177.584 0.012 0.000 1.074 143 A CA -0.735 51.322 52.037 0.034 0.000 0.774 143 A CB -0.614 18.403 19.000 0.028 0.000 1.015 143 A HN 0.358 8.609 8.150 0.168 0.000 0.498 144 P HA -0.286 4.197 4.420 -0.276 -0.229 0.269 144 P C 0.487 177.653 177.300 -0.224 0.000 1.209 144 P CA 0.294 63.219 63.100 -0.292 0.000 0.776 144 P CB 0.130 31.541 31.700 -0.482 0.000 0.876 145 G N 3.271 111.908 108.800 -0.272 0.000 2.176 145 G HA2 -0.398 3.439 3.960 -0.203 0.000 0.252 145 G HA3 -0.398 3.761 3.960 0.333 0.000 0.252 145 G C -0.451 174.415 174.900 -0.057 0.000 1.024 145 G CA 1.015 46.105 45.100 -0.017 0.000 0.755 145 G HN 0.724 8.794 8.290 -0.368 0.000 0.507 146 T N -7.851 106.624 114.554 -0.131 0.000 2.989 146 T HA 0.108 4.429 4.350 -0.049 0.000 0.250 146 T C -0.903 173.647 174.700 -0.250 0.000 0.981 146 T CA -0.432 61.598 62.100 -0.116 0.000 0.980 146 T CB 2.636 71.462 68.868 -0.071 0.000 1.133 146 T HN -0.723 7.407 8.240 -0.140 0.026 0.489 147 Q N -0.909 118.695 119.800 -0.327 0.000 2.389 147 Q HA 0.498 4.730 4.340 -0.399 -0.131 0.277 147 Q C -2.432 173.400 176.000 -0.280 0.000 1.082 147 Q CA -1.161 54.362 55.803 -0.465 0.000 0.810 147 Q CB 4.706 32.787 28.738 -1.094 0.000 1.374 147 Q HN -0.314 7.819 8.270 -0.228 0.000 0.422 148 R N 3.005 123.376 120.500 -0.215 0.000 2.265 148 R HA 0.450 4.977 4.340 -0.013 -0.195 0.319 148 R C -2.251 174.089 176.300 0.067 0.000 1.006 148 R CA -0.897 55.178 56.100 -0.042 0.000 0.880 148 R CB 2.230 32.524 30.300 -0.009 0.000 1.077 148 R HN 0.492 8.619 8.270 -0.239 0.000 0.454 149 L N 7.502 128.846 121.223 0.202 0.000 2.471 149 L HA 0.306 4.755 4.340 0.182 0.000 0.263 149 L C -2.260 174.688 176.870 0.130 0.000 0.985 149 L CA -0.593 54.382 54.840 0.225 0.000 0.868 149 L CB 2.189 44.482 42.059 0.390 0.000 1.203 149 L HN -0.122 8.248 8.230 0.233 0.000 0.429 150 Y N 8.417 128.621 120.300 -0.159 0.000 2.895 150 Y HA -0.276 3.572 4.550 -1.171 0.000 0.334 150 Y C -1.897 173.836 175.900 -0.278 0.000 1.261 150 Y CA 1.899 59.673 58.100 -0.543 0.000 1.560 150 Y CB 0.924 39.116 38.460 -0.446 0.000 1.253 150 Y HN 0.296 8.655 8.280 0.131 0.000 0.582 151 A N 6.048 128.394 122.820 -0.790 0.000 2.512 151 A HA 0.017 4.197 4.320 -0.234 0.000 0.294 151 A C -1.705 175.758 177.584 -0.202 0.000 1.054 151 A CA -0.545 51.321 52.037 -0.284 0.000 0.756 151 A CB 3.246 22.241 19.000 -0.008 0.000 1.293 151 A HN -0.317 7.030 8.150 -1.338 0.000 0.395 152 N N 4.871 123.495 118.700 -0.127 0.000 2.244 152 N HA -0.285 4.461 4.740 0.010 0.000 0.183 152 N C 2.196 177.770 175.510 0.106 0.000 1.016 152 N CA 2.466 55.527 53.050 0.019 0.000 0.866 152 N CB 0.126 38.677 38.487 0.107 0.000 0.980 152 N HN 0.433 8.649 8.380 -0.125 0.089 0.430 153 S N -1.806 113.976 115.700 0.138 0.000 2.481 153 S HA -0.117 4.534 4.470 0.301 0.000 0.231 153 S C 1.961 176.738 174.600 0.295 0.000 0.996 153 S CA 2.625 60.989 58.200 0.273 0.000 0.942 153 S CB -0.770 62.630 63.200 0.333 0.000 0.768 153 S HN -0.484 7.863 8.310 0.100 0.023 0.520 154 S N 3.511 119.324 115.700 0.189 0.000 2.327 154 S HA -0.115 4.450 4.470 0.158 0.000 0.213 154 S C 1.139 175.825 174.600 0.143 0.000 1.032 154 S CA 3.054 61.352 58.200 0.164 0.000 0.960 154 S CB 0.159 63.469 63.200 0.183 0.000 0.900 154 S HN -0.734 7.515 8.310 0.160 0.156 0.469 155 I N 1.474 122.125 120.570 0.135 0.000 2.546 155 I HA -0.166 4.144 4.170 0.099 -0.080 0.255 155 I C 1.193 177.393 176.117 0.138 0.000 1.163 155 I CA 2.302 63.670 61.300 0.112 0.000 1.457 155 I CB -0.190 37.858 38.000 0.081 0.000 1.092 155 I HN -0.827 7.501 8.210 0.197 0.000 0.434 156 G N 0.123 108.976 108.800 0.089 0.000 2.446 156 G HA2 -0.368 3.536 3.960 -0.094 0.000 0.217 156 G HA3 -0.368 3.680 3.960 0.004 -0.085 0.217 156 G C 0.956 175.828 174.900 -0.046 0.000 1.168 156 G CA 2.637 47.730 45.100 -0.013 0.000 0.771 156 G HN -0.215 8.125 8.290 0.113 0.019 0.551 157 L N 1.532 122.779 121.223 0.040 0.000 2.093 157 L HA -0.158 4.110 4.340 -0.121 0.000 0.208 157 L C 1.073 177.909 176.870 -0.056 0.000 1.085 157 L CA 1.666 56.472 54.840 -0.057 0.000 0.755 157 L CB -0.238 41.732 42.059 -0.148 0.000 0.904 157 L HN -0.853 7.445 8.230 0.113 0.000 0.435 158 F N -0.149 119.750 119.950 -0.085 0.000 2.091 158 F HA -0.459 4.019 4.527 -0.082 0.000 0.299 158 F C 1.571 177.315 175.800 -0.094 0.000 1.103 158 F CA 3.765 61.715 58.000 -0.083 0.000 1.228 158 F CB -0.335 38.625 39.000 -0.067 0.000 0.984 158 F HN -0.245 8.179 8.300 0.207 0.000 0.477 159 G N -2.835 105.836 108.800 -0.216 0.000 2.418 159 G HA2 -0.478 3.300 3.960 -0.303 0.000 0.217 159 G HA3 -0.478 3.379 3.960 -0.171 0.000 0.217 159 G C 0.455 175.207 174.900 -0.247 0.000 1.158 159 G CA 1.787 46.739 45.100 -0.247 0.000 0.771 159 G HN -0.105 8.180 8.290 -0.007 0.000 0.545 160 A N 1.859 124.485 122.820 -0.323 0.000 1.902 160 A HA -0.133 4.049 4.320 -0.231 0.000 0.217 160 A C 1.507 178.913 177.584 -0.297 0.000 1.181 160 A CA 2.238 54.099 52.037 -0.294 0.000 0.623 160 A CB -0.444 18.354 19.000 -0.336 0.000 0.818 160 A HN -0.630 7.328 8.150 -0.319 0.000 0.443 161 L N -2.860 118.157 121.223 -0.345 0.000 2.109 161 L HA -0.243 3.911 4.340 -0.311 0.000 0.207 161 L C 2.459 179.055 176.870 -0.456 0.000 1.086 161 L CA 2.406 57.037 54.840 -0.348 0.000 0.760 161 L CB 0.008 41.915 42.059 -0.253 0.000 0.910 161 L HN -0.423 7.605 8.230 -0.337 0.000 0.437 162 A N -1.231 121.252 122.820 -0.561 0.000 1.978 162 A HA -0.275 3.652 4.320 -0.655 0.000 0.220 162 A C 1.019 178.379 177.584 -0.374 0.000 1.170 162 A CA 2.865 54.545 52.037 -0.595 0.000 0.636 162 A CB -0.240 18.272 19.000 -0.814 0.000 0.810 162 A HN -0.106 7.684 8.150 -0.599 0.000 0.448 163 V N -8.699 111.057 119.914 -0.263 0.000 3.623 163 V HA 0.018 4.024 4.120 -0.189 0.000 0.271 163 V C 0.895 176.897 176.094 -0.152 0.000 1.248 163 V CA 0.445 62.636 62.300 -0.180 0.000 1.156 163 V CB -0.884 30.867 31.823 -0.120 0.000 0.870 163 V HN -0.751 7.262 8.190 -0.251 0.027 0.453 164 K N 1.984 122.283 120.400 -0.168 0.000 2.025 164 K HA -0.019 4.241 4.320 -0.101 0.000 0.207 164 K C 0.012 176.582 176.600 -0.051 0.000 1.049 164 K CA 4.898 61.125 56.287 -0.099 0.000 0.933 164 K CB -2.283 30.172 32.500 -0.075 0.000 0.714 164 K HN -0.532 7.409 8.250 -0.227 0.173 0.438 165 P HA -0.108 4.331 4.420 0.032 0.000 0.222 165 P C 0.041 177.324 177.300 -0.027 0.000 1.147 165 P CA 1.903 65.006 63.100 0.005 0.000 0.790 165 P CB -0.466 31.257 31.700 0.038 0.000 0.780 166 S N -5.503 110.161 115.700 -0.060 0.000 2.428 166 S HA -0.183 4.255 4.470 -0.054 0.000 0.230 166 S C 1.480 176.046 174.600 -0.057 0.000 1.014 166 S CA 0.943 59.103 58.200 -0.065 0.000 0.957 166 S CB 0.043 63.186 63.200 -0.095 0.000 0.784 166 S HN -0.548 7.667 8.310 -0.080 0.047 0.499 167 G N 3.295 112.062 108.800 -0.055 0.000 2.162 167 G HA2 -0.317 3.616 3.960 -0.045 0.000 0.260 167 G HA3 -0.317 3.618 3.960 -0.041 0.000 0.260 167 G C -0.374 174.491 174.900 -0.058 0.000 0.976 167 G CA 0.617 45.688 45.100 -0.049 0.000 0.655 167 G HN -0.390 7.828 8.290 -0.057 0.039 0.533 168 L N -1.304 119.874 121.223 -0.075 0.000 2.352 168 L HA 0.234 4.530 4.340 -0.073 0.000 0.269 168 L C 0.249 177.069 176.870 -0.082 0.000 1.034 168 L CA -1.376 53.414 54.840 -0.084 0.000 0.806 168 L CB 2.213 44.206 42.059 -0.111 0.000 1.244 168 L HN -0.583 7.531 8.230 -0.082 0.066 0.447 169 S N -0.351 115.305 115.700 -0.073 0.000 2.589 169 S HA 0.119 4.564 4.470 -0.041 0.000 0.265 169 S C 1.033 175.597 174.600 -0.059 0.000 1.342 169 S CA -0.341 57.829 58.200 -0.050 0.000 1.005 169 S CB 1.704 64.881 63.200 -0.038 0.000 0.909 169 S HN -0.046 8.521 8.310 -0.071 -0.299 0.555 170 F N 2.460 122.318 119.950 -0.154 0.000 2.095 170 F HA -0.463 3.950 4.527 -0.190 0.000 0.298 170 F C 1.492 177.180 175.800 -0.187 0.000 1.104 170 F CA 4.439 62.332 58.000 -0.178 0.000 1.232 170 F CB 0.194 39.087 39.000 -0.178 0.000 0.987 170 F HN 0.524 8.894 8.300 0.117 0.000 0.475 171 E N -1.696 118.464 120.200 -0.066 0.000 2.051 171 E HA -0.426 3.797 4.350 -0.211 0.000 0.192 171 E C 2.296 178.748 176.600 -0.245 0.000 0.991 171 E CA 3.822 60.133 56.400 -0.149 0.000 0.799 171 E CB -0.497 29.187 29.700 -0.026 0.000 0.748 171 E HN 0.295 8.693 8.360 0.063 0.000 0.449 172 Q N -0.603 119.090 119.800 -0.177 0.000 2.084 172 Q HA -0.280 4.156 4.340 -0.149 -0.185 0.202 172 Q C 2.752 178.606 176.000 -0.242 0.000 0.978 172 Q CA 2.965 58.667 55.803 -0.169 0.000 0.844 172 Q CB -0.035 28.633 28.738 -0.118 0.000 0.898 172 Q HN -0.395 7.796 8.270 -0.132 0.000 0.426 173 A N 0.797 123.439 122.820 -0.296 0.000 1.877 173 A HA -0.256 3.911 4.320 -0.254 0.000 0.216 173 A C 1.982 179.295 177.584 -0.453 0.000 1.186 173 A CA 2.818 54.653 52.037 -0.336 0.000 0.620 173 A CB -0.386 18.403 19.000 -0.351 0.000 0.822 173 A HN 0.090 8.072 8.150 -0.280 0.000 0.443 174 M N -0.460 118.733 119.600 -0.678 0.000 2.117 174 M HA -0.412 3.606 4.480 -0.770 0.000 0.262 174 M C 1.800 177.560 176.300 -0.900 0.000 1.065 174 M CA 2.785 57.556 55.300 -0.882 0.000 1.114 174 M CB -0.366 31.546 32.600 -1.147 0.000 1.361 174 M HN -0.190 7.659 8.290 -0.736 0.000 0.408 175 Q N -0.694 118.722 119.800 -0.640 0.000 2.020 175 Q HA -0.330 3.805 4.340 -0.342 0.000 0.202 175 Q C 2.409 178.278 176.000 -0.219 0.000 0.982 175 Q CA 3.603 59.197 55.803 -0.349 0.000 0.838 175 Q CB -0.305 28.343 28.738 -0.150 0.000 0.899 175 Q HN 0.087 8.030 8.270 -0.545 0.000 0.423 176 T N -1.085 113.347 114.554 -0.203 0.000 2.904 176 T HA -0.182 4.281 4.350 -0.097 -0.171 0.267 176 T C 1.358 175.986 174.700 -0.120 0.000 1.059 176 T CA 3.119 65.140 62.100 -0.131 0.000 1.137 176 T CB 0.193 68.988 68.868 -0.122 0.000 0.879 176 T HN -0.317 7.781 8.240 -0.236 0.000 0.467 177 R N -2.768 117.630 120.500 -0.169 0.000 2.254 177 R HA 0.053 4.343 4.340 -0.083 0.000 0.193 177 R C 0.498 176.748 176.300 -0.083 0.000 0.929 177 R CA 1.486 57.514 56.100 -0.121 0.000 1.038 177 R CB 1.115 31.331 30.300 -0.138 0.000 1.009 177 R HN -0.268 7.829 8.270 -0.237 0.031 0.512 178 V N -2.277 117.559 119.914 -0.130 0.000 3.134 178 V HA 0.096 4.268 4.120 0.086 0.000 0.222 178 V C 0.967 177.134 176.094 0.122 0.000 1.247 178 V CA 1.699 64.001 62.300 0.004 0.000 1.281 178 V CB 1.592 33.399 31.823 -0.027 0.000 1.169 178 V HN -0.343 7.707 8.190 -0.235 0.000 0.512 179 F N 0.186 120.075 119.950 -0.101 0.000 2.102 179 F HA -0.290 4.166 4.527 -0.119 0.000 0.298 179 F C 2.602 178.331 175.800 -0.117 0.000 1.105 179 F CA 2.508 60.416 58.000 -0.153 0.000 1.239 179 F CB -1.328 37.498 39.000 -0.290 0.000 0.991 179 F HN -0.202 7.945 8.300 -0.255 0.000 0.474 180 Q N -1.071 118.773 119.800 0.072 0.000 2.046 180 Q HA 0.008 4.343 4.340 -0.010 0.000 0.200 180 Q C 0.659 176.668 176.000 0.016 0.000 0.975 180 Q CA 4.205 60.014 55.803 0.009 0.000 0.836 180 Q CB -1.634 27.092 28.738 -0.020 0.000 0.896 180 Q HN -0.262 8.033 8.270 0.041 0.000 0.428 181 P HA -0.167 4.262 4.420 0.014 0.000 0.218 181 P C 0.137 177.466 177.300 0.049 0.000 1.149 181 P CA 2.125 65.242 63.100 0.029 0.000 0.817 181 P CB -0.104 31.613 31.700 0.028 0.000 0.785 182 L N -5.523 115.754 121.223 0.089 0.000 2.591 182 L HA 0.067 4.459 4.340 0.087 0.000 0.228 182 L C -1.016 175.897 176.870 0.073 0.000 1.133 182 L CA -0.524 54.382 54.840 0.109 0.000 0.880 182 L CB -0.659 41.532 42.059 0.219 0.000 1.033 182 L HN -0.776 7.498 8.230 0.108 0.021 0.450 183 K N -5.195 115.225 120.400 0.033 0.000 3.117 183 K HA -0.410 3.895 4.320 -0.026 0.000 0.269 183 K C -0.939 175.641 176.600 -0.033 0.000 1.098 183 K CA 0.744 57.028 56.287 -0.005 0.000 0.785 183 K CB -2.910 29.592 32.500 0.003 0.000 1.242 183 K HN -0.370 7.715 8.250 0.032 0.185 0.491 184 L N -1.652 119.530 121.223 -0.067 0.000 2.422 184 L HA 0.140 4.457 4.340 -0.145 -0.065 0.256 184 L C -0.828 175.804 176.870 -0.398 0.000 1.202 184 L CA -0.912 53.808 54.840 -0.200 0.000 1.119 184 L CB -1.735 40.180 42.059 -0.240 0.000 1.383 184 L HN -0.146 8.044 8.230 -0.025 0.025 0.411 185 N N 1.063 119.557 118.700 -0.344 0.000 2.336 185 N HA -0.012 4.398 4.740 -0.550 0.000 0.189 185 N C 0.722 175.619 175.510 -1.022 0.000 1.113 185 N CA 0.807 53.525 53.050 -0.554 0.000 0.858 185 N CB 0.368 38.636 38.487 -0.365 0.000 0.970 185 N HN 0.230 8.469 8.380 -0.197 0.023 0.471 186 H N -0.672 118.050 119.070 -0.580 0.000 2.587 186 H HA 0.358 4.580 4.556 -0.557 0.000 0.245 186 H C -1.903 172.881 175.328 -0.907 0.000 1.238 186 H CA -0.890 54.824 56.048 -0.558 0.000 0.963 186 H CB 0.173 29.857 29.762 -0.129 0.000 1.904 186 H HN -0.242 nan 8.280 nan 0.000 0.584 187 T N 2.548 116.224 114.554 -1.463 0.000 2.841 187 T HA 0.459 4.403 4.350 -0.978 -0.182 0.285 187 T C -1.358 172.378 174.700 -1.606 0.000 0.991 187 T CA -0.599 60.666 62.100 -1.393 0.000 0.966 187 T CB 1.649 69.641 68.868 -1.461 0.000 0.962 187 T HN -0.464 6.791 8.240 -1.641 0.000 0.438 188 W N 5.033 126.013 121.300 -0.533 0.000 3.138 188 W HA 0.357 4.899 4.660 -0.197 0.000 0.331 188 W C -1.094 175.300 176.519 -0.209 0.000 1.166 188 W CA -0.495 56.673 57.345 -0.296 0.000 1.212 188 W CB 2.263 31.547 29.460 -0.292 0.000 1.399 188 W HN 0.866 8.711 8.180 -0.558 0.000 0.514 189 I N 1.385 122.051 120.570 0.159 0.000 2.400 189 I HA -0.033 4.306 4.170 0.018 -0.158 0.248 189 I C -0.052 176.070 176.117 0.009 0.000 1.109 189 I CA 1.506 62.843 61.300 0.062 0.000 1.425 189 I CB 0.851 38.900 38.000 0.081 0.000 1.094 189 I HN 0.321 8.675 8.210 0.239 0.000 0.425 190 N N -0.313 118.404 118.700 0.028 0.000 2.442 190 N HA 0.109 4.791 4.740 -0.096 0.000 0.274 190 N C -1.375 174.032 175.510 -0.171 0.000 1.002 190 N CA -1.151 51.858 53.050 -0.068 0.000 0.910 190 N CB 1.451 39.904 38.487 -0.057 0.000 1.244 190 N HN -0.592 7.846 8.380 0.097 0.000 0.492 191 V N 5.355 125.074 119.914 -0.324 0.000 2.450 191 V HA -0.056 3.578 4.120 -0.811 0.000 0.281 191 V C -1.522 174.243 176.094 -0.549 0.000 1.019 191 V CA -1.666 60.276 62.300 -0.597 0.000 1.062 191 V CB 0.103 31.508 31.823 -0.697 0.000 0.979 191 V HN 0.107 8.117 8.190 -0.300 0.000 0.477 192 P HA 0.298 4.496 4.420 -0.371 0.000 0.272 192 P C -1.144 175.933 177.300 -0.372 0.000 1.223 192 P CA -1.520 61.267 63.100 -0.522 0.000 0.784 192 P CB -0.249 31.060 31.700 -0.652 0.000 0.923 193 P HA -0.250 4.332 4.420 -0.126 -0.238 0.216 193 P C 1.321 178.535 177.300 -0.144 0.000 1.150 193 P CA 2.379 65.390 63.100 -0.148 0.000 0.843 193 P CB -0.108 31.533 31.700 -0.099 0.000 0.787 194 A N -4.581 118.137 122.820 -0.170 0.000 2.070 194 A HA -0.091 4.179 4.320 -0.084 0.000 0.220 194 A C 1.294 178.799 177.584 -0.132 0.000 1.159 194 A CA 2.259 54.220 52.037 -0.127 0.000 0.656 194 A CB -0.719 18.210 19.000 -0.117 0.000 0.800 194 A HN 0.066 8.078 8.150 -0.197 0.020 0.453 195 E N -4.484 115.578 120.200 -0.230 0.000 2.481 195 E HA 0.219 4.512 4.350 -0.095 0.000 0.198 195 E C 1.439 177.957 176.600 -0.136 0.000 1.027 195 E CA -0.062 56.216 56.400 -0.204 0.000 0.900 195 E CB 0.032 29.471 29.700 -0.434 0.000 0.993 195 E HN -0.363 7.640 8.360 -0.308 0.172 0.482 196 E N 0.419 120.554 120.200 -0.108 0.000 2.153 196 E HA -0.324 4.026 4.350 -0.000 0.000 0.194 196 E C 1.733 178.349 176.600 0.027 0.000 0.988 196 E CA 3.301 59.687 56.400 -0.023 0.000 0.811 196 E CB -0.423 29.268 29.700 -0.015 0.000 0.746 196 E HN -0.650 7.472 8.360 -0.125 0.163 0.466 197 K N -4.930 115.480 120.400 0.018 0.000 2.281 197 K HA -0.254 4.101 4.320 0.058 0.000 0.203 197 K C 0.632 177.261 176.600 0.048 0.000 1.046 197 K CA 2.120 58.431 56.287 0.040 0.000 0.938 197 K CB -0.716 31.802 32.500 0.029 0.000 0.737 197 K HN 0.245 8.472 8.250 -0.003 0.021 0.458 198 N N -3.356 115.368 118.700 0.040 0.000 2.325 198 N HA 0.071 4.835 4.740 0.040 0.000 0.182 198 N C -1.213 174.342 175.510 0.075 0.000 1.088 198 N CA 0.341 53.418 53.050 0.045 0.000 0.879 198 N CB 1.823 40.334 38.487 0.040 0.000 0.983 198 N HN -0.464 7.769 8.380 0.025 0.162 0.471 199 Y N 2.605 122.838 120.300 -0.112 0.000 2.539 199 Y HA -0.237 4.210 4.550 -0.171 0.000 0.352 199 Y C -1.006 174.805 175.900 -0.149 0.000 1.004 199 Y CA -0.952 57.040 58.100 -0.181 0.000 1.278 199 Y CB 0.128 38.410 38.460 -0.296 0.000 1.136 199 Y HN -0.729 7.391 8.280 0.126 0.235 0.528 200 A N 8.535 131.401 122.820 0.076 0.000 2.507 200 A HA -0.225 4.212 4.320 0.047 -0.088 0.235 200 A C -0.959 176.611 177.584 -0.024 0.000 1.070 200 A CA 0.359 52.414 52.037 0.031 0.000 0.768 200 A CB 0.832 19.805 19.000 -0.045 0.000 1.011 200 A HN -0.008 8.204 8.150 0.103 0.000 0.502 201 W N 0.690 121.999 121.300 0.016 0.000 2.261 201 W HA -0.065 4.379 4.660 -0.360 0.000 0.323 201 W C 0.413 176.662 176.519 -0.451 0.000 1.243 201 W CA 0.280 57.446 57.345 -0.298 0.000 1.210 201 W CB 1.251 30.390 29.460 -0.535 0.000 1.149 201 W HN -0.224 8.114 8.180 0.264 0.000 0.562 202 G N -1.347 107.260 108.800 -0.321 0.000 2.476 202 G HA2 0.300 3.620 3.960 -1.153 0.000 0.286 202 G HA3 0.300 3.928 3.960 -0.598 -0.026 0.286 202 G C -2.271 172.237 174.900 -0.653 0.000 1.177 202 G CA -0.822 43.831 45.100 -0.744 0.000 0.870 202 G HN 0.096 8.381 8.290 -0.008 0.000 0.528 203 Y N -0.851 119.369 120.300 -0.133 0.000 2.338 203 Y HA 0.576 5.567 4.550 -0.030 -0.459 0.333 203 Y C -1.507 174.386 175.900 -0.011 0.000 0.968 203 Y CA -1.031 57.043 58.100 -0.044 0.000 1.123 203 Y CB 3.632 42.072 38.460 -0.034 0.000 1.165 203 Y HN -0.439 7.769 8.280 -0.120 0.000 0.452 204 R N 2.754 123.307 120.500 0.087 0.000 2.451 204 R HA 0.351 4.744 4.340 0.089 0.000 0.307 204 R C -0.427 175.913 176.300 0.068 0.000 0.965 204 R CA -1.026 55.119 56.100 0.076 0.000 0.865 204 R CB 2.776 33.108 30.300 0.054 0.000 1.174 204 R HN 0.172 8.472 8.270 0.050 0.000 0.455 205 E N 5.090 125.330 120.200 0.067 0.000 2.440 205 E HA -0.345 4.031 4.350 0.044 0.000 0.246 205 E C -0.749 175.881 176.600 0.051 0.000 1.165 205 E CA 0.696 57.125 56.400 0.048 0.000 0.726 205 E CB -1.658 28.061 29.700 0.032 0.000 1.271 205 E HN 0.900 9.303 8.360 0.072 0.000 0.397 206 G N -6.422 102.430 108.800 0.087 0.000 2.162 206 G HA2 -0.429 3.601 3.960 0.117 0.000 0.260 206 G HA3 -0.429 3.560 3.960 0.048 0.000 0.260 206 G C -0.945 174.038 174.900 0.138 0.000 0.976 206 G CA 0.192 45.352 45.100 0.100 0.000 0.655 206 G HN -0.031 8.267 8.290 0.107 0.056 0.533 207 K N 1.191 121.649 120.400 0.096 0.000 2.138 207 K HA 0.226 4.552 4.320 0.010 0.000 0.263 207 K C -1.418 175.128 176.600 -0.090 0.000 0.965 207 K CA -1.720 54.574 56.287 0.011 0.000 0.868 207 K CB 1.644 34.125 32.500 -0.032 0.000 1.083 207 K HN -0.344 7.650 8.250 0.081 0.304 0.443 208 A N 5.184 127.839 122.820 -0.275 0.000 2.454 208 A HA 0.547 4.521 4.320 -0.953 -0.225 0.260 208 A C -0.252 177.142 177.584 -0.318 0.000 1.106 208 A CA -0.284 51.389 52.037 -0.606 0.000 0.780 208 A CB 0.287 18.740 19.000 -0.912 0.000 1.044 208 A HN 0.371 8.389 8.150 -0.221 0.000 0.498 209 V N 1.959 121.800 119.914 -0.120 0.000 2.971 209 V HA 0.455 4.634 4.120 0.097 0.000 0.309 209 V C -0.510 175.667 176.094 0.138 0.000 1.130 209 V CA -1.069 61.267 62.300 0.061 0.000 0.964 209 V CB 1.985 33.835 31.823 0.045 0.000 1.029 209 V HN 0.473 8.420 8.190 -0.230 0.105 0.427 210 H N 4.095 123.295 119.070 0.216 0.000 2.731 210 H HA 0.482 5.141 4.556 0.171 0.000 0.368 210 H C -1.128 174.291 175.328 0.152 0.000 1.168 210 H CA -2.092 54.024 56.048 0.113 0.000 1.181 210 H CB 3.053 32.751 29.762 -0.106 0.000 1.743 210 H HN 0.137 nan 8.280 nan 0.000 0.547 211 V N 2.128 122.230 119.914 0.315 0.000 2.673 211 V HA -0.070 4.175 4.120 0.209 0.000 0.303 211 V C -0.784 175.427 176.094 0.196 0.000 1.046 211 V CA 1.357 63.795 62.300 0.230 0.000 1.126 211 V CB 0.802 32.763 31.823 0.231 0.000 0.934 211 V HN 0.049 8.885 8.190 0.333 -0.446 0.487 212 S N 7.079 122.878 115.700 0.166 0.000 2.616 212 S HA 0.360 4.907 4.470 0.127 0.000 0.277 212 S C -2.003 172.682 174.600 0.142 0.000 1.234 212 S CA -2.365 55.915 58.200 0.133 0.000 1.028 212 S CB -0.455 62.806 63.200 0.101 0.000 0.988 212 S HN -0.059 8.344 8.310 0.155 0.000 0.522 213 P HA 0.013 4.635 4.420 0.066 -0.163 0.267 213 P C -0.771 176.579 177.300 0.082 0.000 1.200 213 P CA -0.260 62.883 63.100 0.072 0.000 0.772 213 P CB 0.624 32.347 31.700 0.038 0.000 0.855 214 G N -0.500 108.340 108.800 0.068 0.000 2.677 214 G HA2 0.212 4.197 3.960 0.041 0.000 0.291 214 G HA3 0.212 4.257 3.960 0.141 0.000 0.291 214 G C -2.077 172.818 174.900 -0.008 0.000 1.435 214 G CA -0.224 44.915 45.100 0.065 0.000 0.826 214 G HN -0.245 8.354 8.290 0.033 -0.289 0.491 215 A N 1.681 124.485 122.820 -0.026 0.000 2.540 215 A HA 0.024 4.304 4.320 -0.067 0.000 0.239 215 A C 0.186 177.718 177.584 -0.087 0.000 1.061 215 A CA 0.883 52.883 52.037 -0.062 0.000 0.758 215 A CB 0.294 19.250 19.000 -0.073 0.000 0.991 215 A HN 0.333 8.470 8.150 -0.022 0.000 0.502 216 L N -3.526 117.614 121.223 -0.140 0.000 4.001 216 L HA -0.442 3.946 4.340 -0.270 -0.210 0.413 216 L C 0.557 177.210 176.870 -0.361 0.000 1.185 216 L CA 0.611 55.322 54.840 -0.216 0.000 0.963 216 L CB -2.501 39.495 42.059 -0.105 0.000 1.976 216 L HN 0.341 8.491 8.230 -0.133 0.000 0.939 217 D N -1.022 119.111 120.400 -0.444 0.000 2.097 217 D HA -0.290 3.364 4.640 -1.643 0.000 0.197 217 D C 1.250 177.123 176.300 -0.712 0.000 0.984 217 D CA 2.712 56.167 54.000 -0.908 0.000 0.826 217 D CB -0.812 39.640 40.800 -0.580 0.000 0.973 217 D HN -0.515 7.633 8.370 -0.306 0.039 0.460 218 A N 1.012 123.581 122.820 -0.418 0.000 1.883 218 A HA -0.362 3.850 4.320 -0.180 0.000 0.217 218 A C 2.355 179.745 177.584 -0.323 0.000 1.186 218 A CA 3.212 55.091 52.037 -0.262 0.000 0.624 218 A CB -0.662 18.265 19.000 -0.122 0.000 0.822 218 A HN 0.453 8.387 8.150 -0.361 0.000 0.444 219 E N -2.016 117.800 120.200 -0.640 0.000 2.152 219 E HA -0.263 3.560 4.350 -0.879 0.000 0.192 219 E C 0.697 177.154 176.600 -0.238 0.000 0.983 219 E CA 3.151 59.131 56.400 -0.700 0.000 0.818 219 E CB -0.503 28.700 29.700 -0.828 0.000 0.758 219 E HN 0.132 8.086 8.360 -0.651 0.016 0.467 220 A N -3.781 118.901 122.820 -0.231 0.000 2.035 220 A HA 0.114 4.462 4.320 0.047 0.000 0.208 220 A C -0.502 177.151 177.584 0.114 0.000 1.206 220 A CA 1.740 53.766 52.037 -0.018 0.000 0.773 220 A CB 1.639 20.687 19.000 0.080 0.000 0.878 220 A HN -0.622 7.299 8.150 -0.382 0.000 0.469 221 Y N -10.233 110.085 120.300 0.030 0.000 3.022 221 Y HA 0.583 5.294 4.550 0.076 -0.115 0.275 221 Y C -0.775 175.144 175.900 0.032 0.000 1.071 221 Y CA -1.590 56.541 58.100 0.052 0.000 1.276 221 Y CB 0.222 38.718 38.460 0.061 0.000 1.325 221 Y HN -0.016 8.011 8.280 -0.421 0.000 0.594 222 G N 0.047 108.797 108.800 -0.085 0.000 3.337 222 G HA2 0.131 4.087 3.960 -0.007 0.000 0.246 222 G HA3 0.131 4.051 3.960 -0.162 -0.057 0.246 222 G C -1.111 173.762 174.900 -0.046 0.000 1.131 222 G CA -0.503 44.551 45.100 -0.078 0.000 0.773 222 G HN -0.335 7.877 8.290 -0.131 0.000 0.544 223 V N 2.211 122.099 119.914 -0.044 0.000 2.607 223 V HA 0.148 4.361 4.120 -0.126 -0.168 0.289 223 V C -1.354 174.650 176.094 -0.149 0.000 1.053 223 V CA 0.171 62.391 62.300 -0.135 0.000 0.996 223 V CB 1.116 32.776 31.823 -0.272 0.000 0.995 223 V HN -0.364 7.822 8.190 -0.006 0.000 0.476 224 K N 5.245 125.525 120.400 -0.201 0.000 2.270 224 K HA 0.819 5.227 4.320 -0.165 -0.187 0.255 224 K C -1.613 174.867 176.600 -0.200 0.000 0.936 224 K CA -1.607 54.559 56.287 -0.201 0.000 0.809 224 K CB 2.871 35.173 32.500 -0.330 0.000 1.131 224 K HN 0.628 8.756 8.250 -0.204 0.000 0.427 225 S N 2.375 118.018 115.700 -0.097 0.000 2.615 225 S HA 0.800 5.330 4.470 -0.188 -0.173 0.269 225 S C -1.577 173.073 174.600 0.084 0.000 1.161 225 S CA -0.753 57.384 58.200 -0.104 0.000 0.817 225 S CB 3.207 66.300 63.200 -0.179 0.000 1.131 225 S HN 0.193 8.493 8.310 -0.017 0.000 0.467 226 T N -0.859 113.732 114.554 0.062 0.000 2.912 226 T HA 0.810 5.527 4.350 0.250 -0.217 0.280 226 T C 0.890 175.669 174.700 0.132 0.000 0.989 226 T CA -2.119 60.062 62.100 0.136 0.000 0.995 226 T CB 2.219 71.109 68.868 0.037 0.000 1.077 226 T HN -0.144 8.085 8.240 -0.018 0.000 0.531 227 I N 1.190 121.846 120.570 0.144 0.000 2.361 227 I HA -0.361 3.911 4.170 0.171 0.000 0.251 227 I C 1.114 177.305 176.117 0.124 0.000 1.133 227 I CA 1.896 63.281 61.300 0.142 0.000 1.413 227 I CB 0.062 38.162 38.000 0.166 0.000 1.073 227 I HN 0.891 9.206 8.210 0.174 0.000 0.424 228 E N 0.189 120.346 120.200 -0.071 0.000 2.047 228 E HA -0.341 4.018 4.350 0.015 0.000 0.191 228 E C 2.211 178.863 176.600 0.085 0.000 0.987 228 E CA 3.199 59.557 56.400 -0.071 0.000 0.799 228 E CB -0.372 29.182 29.700 -0.242 0.000 0.752 228 E HN -0.471 7.798 8.360 -0.121 0.019 0.449 229 D N -0.845 119.581 120.400 0.044 0.000 2.144 229 D HA -0.224 4.452 4.640 0.059 0.000 0.199 229 D C 2.056 178.449 176.300 0.155 0.000 0.984 229 D CA 3.122 57.155 54.000 0.053 0.000 0.834 229 D CB -0.410 40.351 40.800 -0.065 0.000 0.955 229 D HN -0.363 8.012 8.370 0.009 0.000 0.465 230 M N -1.629 118.080 119.600 0.181 0.000 2.229 230 M HA -0.186 4.513 4.480 0.366 0.000 0.264 230 M C 2.123 178.592 176.300 0.283 0.000 1.063 230 M CA 1.730 57.199 55.300 0.282 0.000 1.114 230 M CB -1.040 31.712 32.600 0.253 0.000 1.387 230 M HN -0.175 8.201 8.290 0.143 0.000 0.420 231 A N -0.335 122.632 122.820 0.245 0.000 1.933 231 A HA -0.358 4.049 4.320 0.145 0.000 0.218 231 A C 1.704 179.362 177.584 0.123 0.000 1.175 231 A CA 3.197 55.345 52.037 0.185 0.000 0.628 231 A CB -0.861 18.287 19.000 0.246 0.000 0.814 231 A HN 0.130 8.436 8.150 0.260 0.000 0.444 232 R N -1.548 119.046 120.500 0.156 0.000 2.092 232 R HA -0.210 4.377 4.340 0.062 -0.210 0.231 232 R C 2.320 178.721 176.300 0.168 0.000 1.119 232 R CA 3.076 59.248 56.100 0.121 0.000 0.970 232 R CB -0.012 30.362 30.300 0.122 0.000 0.864 232 R HN -0.514 7.788 8.270 0.182 0.078 0.440 233 W N 0.592 121.908 121.300 0.027 0.000 2.358 233 W HA -0.337 4.333 4.660 0.016 0.000 0.303 233 W C 1.473 177.935 176.519 -0.094 0.000 1.208 233 W CA 2.645 59.997 57.345 0.012 0.000 1.274 233 W CB 0.528 30.038 29.460 0.083 0.000 1.138 233 W HN 0.080 8.502 8.180 0.403 0.000 0.515 234 V N -0.865 118.986 119.914 -0.105 0.000 2.343 234 V HA -0.589 3.094 4.120 -0.728 0.000 0.247 234 V C 2.340 178.108 176.094 -0.544 0.000 1.051 234 V CA 4.120 66.153 62.300 -0.445 0.000 1.036 234 V CB -0.867 30.820 31.823 -0.227 0.000 0.654 234 V HN -0.234 8.020 8.190 0.106 0.000 0.451 235 Q N 0.030 119.654 119.800 -0.293 0.000 2.096 235 Q HA -0.427 3.739 4.340 -0.291 0.000 0.204 235 Q C 2.204 178.017 176.000 -0.312 0.000 0.982 235 Q CA 3.209 58.853 55.803 -0.264 0.000 0.850 235 Q CB -0.622 28.030 28.738 -0.143 0.000 0.901 235 Q HN 0.001 8.167 8.270 -0.173 0.000 0.422 236 S N -0.302 115.230 115.700 -0.280 0.000 2.382 236 S HA -0.282 4.073 4.470 -0.191 0.000 0.228 236 S C 1.768 176.115 174.600 -0.422 0.000 1.027 236 S CA 3.634 61.675 58.200 -0.265 0.000 0.991 236 S CB -0.505 62.611 63.200 -0.140 0.000 0.823 236 S HN -0.257 7.911 8.310 -0.223 0.009 0.469 237 N N 0.598 118.880 118.700 -0.697 0.000 2.354 237 N HA -0.182 4.201 4.740 -0.595 0.000 0.179 237 N C 1.339 176.359 175.510 -0.815 0.000 1.021 237 N CA 2.421 54.970 53.050 -0.835 0.000 0.887 237 N CB 0.180 37.954 38.487 -1.189 0.000 0.974 237 N HN -0.511 7.405 8.380 -0.773 0.000 0.437 238 L N -2.558 118.163 121.223 -0.836 0.000 2.093 238 L HA -0.176 3.883 4.340 -0.468 0.000 0.208 238 L C 0.415 177.106 176.870 -0.298 0.000 1.085 238 L CA 2.909 57.432 54.840 -0.530 0.000 0.755 238 L CB 0.628 42.419 42.059 -0.446 0.000 0.904 238 L HN -0.158 7.554 8.230 -0.864 0.000 0.435 239 K N -5.229 115.006 120.400 -0.275 0.000 2.954 239 K HA 0.505 4.729 4.320 -0.160 0.000 0.171 239 K C -1.775 174.731 176.600 -0.157 0.000 1.079 239 K CA -3.157 53.020 56.287 -0.184 0.000 0.908 239 K CB -0.159 32.247 32.500 -0.157 0.000 1.142 239 K HN -0.758 7.297 8.250 -0.325 0.000 0.613 240 P HA -0.030 4.414 4.420 -0.123 -0.098 0.223 240 P C 0.824 178.077 177.300 -0.077 0.000 1.151 240 P CA 1.450 64.480 63.100 -0.116 0.000 0.787 240 P CB 0.291 31.929 31.700 -0.103 0.000 0.788 241 L N -4.338 116.840 121.223 -0.076 0.000 2.551 241 L HA -0.132 4.179 4.340 -0.047 0.000 0.228 241 L C 0.074 176.913 176.870 -0.052 0.000 1.153 241 L CA 0.984 55.790 54.840 -0.056 0.000 0.851 241 L CB -0.880 41.148 42.059 -0.053 0.000 0.959 241 L HN -0.370 7.722 8.230 -0.087 0.086 0.451 242 D N -3.622 116.741 120.400 -0.061 0.000 2.340 242 D HA 0.010 4.623 4.640 -0.045 0.000 0.220 242 D C -0.229 176.047 176.300 -0.040 0.000 1.039 242 D CA 0.549 54.518 54.000 -0.051 0.000 0.866 242 D CB 0.530 41.293 40.800 -0.061 0.000 0.913 242 D HN -0.564 7.715 8.370 -0.075 0.046 0.523 243 I N 0.696 121.243 120.570 -0.039 0.000 2.452 243 I HA -0.114 4.046 4.170 -0.017 0.000 0.287 243 I C 0.078 176.186 176.117 -0.015 0.000 1.079 243 I CA -1.602 59.684 61.300 -0.022 0.000 1.387 243 I CB -1.487 36.502 38.000 -0.018 0.000 1.404 243 I HN -0.601 7.408 8.210 -0.047 0.173 0.522 244 N N 5.339 124.033 118.700 -0.010 0.000 2.331 244 N HA -0.191 4.542 4.740 -0.012 0.000 0.180 244 N C -0.340 175.167 175.510 -0.006 0.000 1.019 244 N CA 1.894 54.938 53.050 -0.009 0.000 0.881 244 N CB 0.497 38.979 38.487 -0.008 0.000 0.972 244 N HN 0.303 8.679 8.380 -0.008 0.000 0.435 245 E N 0.625 120.824 120.200 -0.001 0.000 2.166 245 E HA 0.013 4.362 4.350 -0.003 0.000 0.279 245 E C -0.003 176.598 176.600 0.001 0.000 1.095 245 E CA -0.304 56.096 56.400 0.000 0.000 0.888 245 E CB -0.774 28.930 29.700 0.005 0.000 1.041 245 E HN 0.096 8.457 8.360 0.002 0.000 0.414 246 K N 6.122 126.521 120.400 -0.002 0.000 2.020 246 K HA -0.428 3.890 4.320 -0.003 0.000 0.212 246 K C 1.933 178.535 176.600 0.004 0.000 1.050 246 K CA 4.591 60.878 56.287 -0.001 0.000 0.929 246 K CB -0.306 32.193 32.500 -0.003 0.000 0.714 246 K HN 0.478 8.726 8.250 -0.003 0.000 0.443 247 T N -4.607 109.950 114.554 0.005 0.000 2.904 247 T HA -0.280 4.078 4.350 0.013 0.000 0.267 247 T C 1.576 176.289 174.700 0.021 0.000 1.059 247 T CA 3.385 65.492 62.100 0.011 0.000 1.137 247 T CB -0.406 68.465 68.868 0.005 0.000 0.879 247 T HN -0.132 8.109 8.240 0.002 0.000 0.467 248 L N 2.512 123.748 121.223 0.022 0.000 2.072 248 L HA -0.185 4.248 4.340 0.052 -0.061 0.205 248 L C 1.153 178.044 176.870 0.036 0.000 1.079 248 L CA 2.531 57.395 54.840 0.040 0.000 0.752 248 L CB -0.539 41.547 42.059 0.045 0.000 0.906 248 L HN -0.779 7.442 8.230 0.015 0.018 0.436 249 Q N -0.778 119.031 119.800 0.015 0.000 2.061 249 Q HA -0.518 3.816 4.340 -0.010 0.000 0.204 249 Q C 2.424 178.428 176.000 0.006 0.000 0.984 249 Q CA 3.665 59.467 55.803 -0.001 0.000 0.846 249 Q CB -0.105 28.627 28.738 -0.010 0.000 0.902 249 Q HN -0.095 8.183 8.270 0.012 0.000 0.421 250 Q N -1.069 118.740 119.800 0.015 0.000 2.079 250 Q HA -0.235 4.328 4.340 0.015 -0.214 0.200 250 Q C 2.972 178.999 176.000 0.046 0.000 0.974 250 Q CA 2.685 58.502 55.803 0.023 0.000 0.840 250 Q CB -0.078 28.673 28.738 0.022 0.000 0.898 250 Q HN -0.301 7.977 8.270 0.014 0.000 0.430 251 G N -0.133 108.702 108.800 0.058 0.000 2.440 251 G HA2 -0.316 3.748 3.960 0.100 0.000 0.218 251 G HA3 -0.316 3.747 3.960 0.093 -0.046 0.218 251 G C 1.088 176.056 174.900 0.114 0.000 1.154 251 G CA 2.021 47.176 45.100 0.091 0.000 0.767 251 G HN -0.084 8.236 8.290 0.049 0.000 0.552 252 I N 2.160 122.778 120.570 0.081 0.000 2.226 252 I HA -0.581 3.658 4.170 0.115 0.000 0.245 252 I C 1.943 178.096 176.117 0.059 0.000 1.100 252 I CA 3.779 65.117 61.300 0.064 0.000 1.374 252 I CB -0.155 37.827 38.000 -0.030 0.000 1.057 252 I HN -0.206 8.041 8.210 0.062 0.000 0.413 253 Q N -1.736 118.083 119.800 0.031 0.000 2.084 253 Q HA -0.353 3.987 4.340 -0.001 0.000 0.202 253 Q C 2.896 178.934 176.000 0.062 0.000 0.978 253 Q CA 2.942 58.758 55.803 0.021 0.000 0.844 253 Q CB -0.029 28.708 28.738 -0.001 0.000 0.898 253 Q HN -0.645 7.639 8.270 0.023 0.000 0.426 254 L N -2.023 119.261 121.223 0.101 0.000 2.141 254 L HA -0.220 4.204 4.340 0.139 0.000 0.209 254 L C 2.504 179.530 176.870 0.260 0.000 1.094 254 L CA 2.622 57.561 54.840 0.166 0.000 0.763 254 L CB -0.379 41.783 42.059 0.170 0.000 0.908 254 L HN 0.032 8.318 8.230 0.093 0.000 0.437 255 A N -1.779 121.191 122.820 0.249 0.000 2.066 255 A HA -0.261 4.252 4.320 0.322 0.000 0.218 255 A C 1.718 179.531 177.584 0.382 0.000 1.157 255 A CA 2.543 54.781 52.037 0.335 0.000 0.670 255 A CB -0.653 18.570 19.000 0.372 0.000 0.804 255 A HN -0.260 7.905 8.150 0.209 0.110 0.453 256 Q N -4.239 115.705 119.800 0.239 0.000 2.360 256 Q HA 0.078 4.522 4.340 0.174 0.000 0.202 256 Q C -0.525 175.510 176.000 0.059 0.000 0.915 256 Q CA -0.534 55.345 55.803 0.126 0.000 0.943 256 Q CB 0.302 29.041 28.738 0.001 0.000 1.064 256 Q HN -0.345 7.993 8.270 0.191 0.046 0.511 257 S N 1.015 116.740 115.700 0.041 0.000 2.593 257 S HA 0.122 4.608 4.470 -0.180 -0.124 0.269 257 S C -0.599 173.851 174.600 -0.250 0.000 1.334 257 S CA 1.469 59.552 58.200 -0.196 0.000 1.015 257 S CB 0.981 63.949 63.200 -0.387 0.000 0.912 257 S HN -0.742 7.476 8.310 0.121 0.165 0.541 258 R N 1.805 122.102 120.500 -0.338 0.000 2.215 258 R HA 0.250 4.627 4.340 0.061 0.000 0.337 258 R C 0.590 176.729 176.300 -0.268 0.000 1.010 258 R CA -0.623 55.392 56.100 -0.142 0.000 0.871 258 R CB 0.069 30.279 30.300 -0.151 0.000 1.134 258 R HN 0.095 8.146 8.270 -0.365 0.000 0.477 259 Y N 1.280 121.589 120.300 0.014 0.000 2.479 259 Y HA 0.014 4.389 4.550 -0.292 0.000 0.283 259 Y C -0.594 175.004 175.900 -0.503 0.000 1.109 259 Y CA 1.738 59.687 58.100 -0.252 0.000 1.239 259 Y CB 1.858 40.182 38.460 -0.227 0.000 1.108 259 Y HN 0.105 8.562 8.280 0.295 0.000 0.548 260 W N -5.089 116.382 121.300 0.285 0.000 3.107 260 W HA 0.583 5.515 4.660 0.175 -0.167 0.331 260 W C -2.051 174.576 176.519 0.180 0.000 1.204 260 W CA -1.415 56.052 57.345 0.203 0.000 1.184 260 W CB 4.119 33.685 29.460 0.178 0.000 1.421 260 W HN -0.767 7.666 8.180 0.420 0.000 0.544 261 Q N 1.660 121.659 119.800 0.332 0.000 2.353 261 Q HA 0.975 5.659 4.340 -0.079 -0.392 0.268 261 Q C -1.764 174.263 176.000 0.045 0.000 1.045 261 Q CA -1.470 54.358 55.803 0.042 0.000 0.811 261 Q CB 4.565 33.268 28.738 -0.059 0.000 1.305 261 Q HN 0.660 9.154 8.270 0.372 0.000 0.447 262 T N 6.539 121.068 114.554 -0.042 0.000 2.949 262 T HA 0.436 4.774 4.350 -0.021 0.000 0.300 262 T C -0.624 174.029 174.700 -0.078 0.000 0.988 262 T CA -2.012 60.069 62.100 -0.032 0.000 0.993 262 T CB 1.062 69.929 68.868 -0.001 0.000 0.984 262 T HN 0.409 8.588 8.240 -0.101 0.000 0.442 263 G N 9.715 118.470 108.800 -0.075 0.000 2.622 263 G HA2 -0.482 3.440 3.960 -0.063 0.000 0.307 263 G HA3 -0.482 3.440 3.960 -0.063 0.000 0.307 263 G C -1.015 173.805 174.900 -0.132 0.000 1.226 263 G CA 1.816 46.869 45.100 -0.079 0.000 0.997 263 G HN 0.612 8.867 8.290 -0.058 0.000 0.551 264 D N 3.536 123.870 120.400 -0.111 0.000 2.339 264 D HA 0.031 4.596 4.640 -0.126 0.000 0.217 264 D C -1.230 174.971 176.300 -0.165 0.000 1.050 264 D CA 0.586 54.517 54.000 -0.115 0.000 0.856 264 D CB 0.087 40.861 40.800 -0.043 0.000 0.922 264 D HN -0.097 8.226 8.370 -0.077 0.000 0.518 265 M N -0.444 119.053 119.600 -0.172 0.000 2.537 265 M HA 0.493 5.141 4.480 0.038 -0.144 0.324 265 M C -2.359 173.791 176.300 -0.249 0.000 1.187 265 M CA -1.081 54.180 55.300 -0.065 0.000 0.993 265 M CB 3.712 36.376 32.600 0.108 0.000 1.666 265 M HN -0.483 7.666 8.290 -0.146 0.054 0.461 266 Y N 0.551 120.967 120.300 0.192 0.000 2.364 266 Y HA 0.615 5.498 4.550 0.219 -0.203 0.340 266 Y C -1.161 174.904 175.900 0.274 0.000 0.975 266 Y CA -1.972 56.253 58.100 0.209 0.000 1.089 266 Y CB 2.536 41.086 38.460 0.151 0.000 1.192 266 Y HN 0.800 9.278 8.280 0.330 0.000 0.454 267 Q N 3.147 123.229 119.800 0.471 0.000 2.278 267 Q HA 0.282 4.884 4.340 0.436 0.000 0.257 267 Q C -1.034 175.269 176.000 0.505 0.000 0.928 267 Q CA -1.290 54.795 55.803 0.470 0.000 0.932 267 Q CB 1.903 30.940 28.738 0.499 0.000 1.221 267 Q HN 0.050 8.613 8.270 0.488 0.000 0.434 268 G N 4.206 113.276 108.800 0.450 0.000 2.736 268 G HA2 0.661 5.181 3.960 0.650 0.000 0.229 268 G HA3 0.661 5.044 3.960 0.448 -0.155 0.229 268 G C -1.524 173.542 174.900 0.277 0.000 1.380 268 G CA -1.949 43.437 45.100 0.476 0.000 1.040 268 G HN 0.132 8.679 8.290 0.427 0.000 0.568 269 L N 0.148 121.506 121.223 0.226 0.000 2.288 269 L HA -0.018 4.236 4.340 -0.143 0.000 0.283 269 L C 0.957 177.880 176.870 0.089 0.000 1.072 269 L CA -0.570 54.279 54.840 0.015 0.000 0.862 269 L CB -1.176 40.876 42.059 -0.012 0.000 1.245 269 L HN -0.168 8.155 8.230 0.344 0.114 0.432 270 G N 4.240 113.070 108.800 0.050 0.000 4.039 270 G HA2 -0.429 3.596 3.960 0.108 0.000 0.220 270 G HA3 -0.429 3.638 3.960 -0.063 -0.145 0.220 270 G C -0.517 174.429 174.900 0.076 0.000 1.391 270 G CA 0.565 45.688 45.100 0.038 0.000 0.920 270 G HN 0.121 8.408 8.290 -0.005 0.000 0.599 271 W N 2.808 124.234 121.300 0.211 0.000 2.148 271 W HA -0.265 4.503 4.660 0.181 0.000 0.347 271 W C -0.450 176.206 176.519 0.228 0.000 1.288 271 W CA 0.358 57.817 57.345 0.191 0.000 1.252 271 W CB 0.611 30.157 29.460 0.143 0.000 1.156 271 W HN -0.597 7.595 8.180 0.120 0.060 0.580 272 E N -2.124 118.401 120.200 0.541 0.000 2.277 272 E HA 0.747 5.490 4.350 0.448 -0.125 0.266 272 E C -0.789 176.103 176.600 0.486 0.000 0.901 272 E CA -1.390 55.299 56.400 0.482 0.000 0.782 272 E CB 3.835 33.799 29.700 0.441 0.000 1.228 272 E HN -0.136 8.580 8.360 0.593 0.000 0.424 273 M N -0.640 119.210 119.600 0.417 0.000 2.484 273 M HA 0.726 5.571 4.480 0.261 -0.208 0.289 273 M C -1.854 174.675 176.300 0.382 0.000 1.206 273 M CA -0.816 54.675 55.300 0.319 0.000 0.892 273 M CB 4.712 37.437 32.600 0.207 0.000 1.712 273 M HN 0.451 8.999 8.290 0.431 0.000 0.462 274 L N -0.713 120.703 121.223 0.323 0.000 2.388 274 L HA 0.577 5.287 4.340 0.419 -0.118 0.264 274 L C -1.032 176.019 176.870 0.302 0.000 0.998 274 L CA -1.029 54.005 54.840 0.323 0.000 0.817 274 L CB 3.527 45.696 42.059 0.184 0.000 1.338 274 L HN 0.641 9.049 8.230 0.295 0.000 0.414 275 D N 1.952 122.526 120.400 0.289 0.000 2.472 275 D HA -0.127 4.705 4.640 0.169 -0.091 0.237 275 D C -1.255 175.193 176.300 0.247 0.000 1.141 275 D CA 2.281 56.406 54.000 0.207 0.000 0.875 275 D CB 0.680 41.575 40.800 0.158 0.000 1.192 275 D HN 0.357 8.941 8.370 0.358 0.000 0.450 276 W N 3.471 124.816 121.300 0.075 0.000 2.469 276 W HA 0.238 5.047 4.660 0.114 -0.080 0.320 276 W C -2.644 173.911 176.519 0.060 0.000 1.086 276 W CA -3.014 54.385 57.345 0.090 0.000 1.211 276 W CB 1.431 30.948 29.460 0.096 0.000 1.298 276 W HN 0.669 8.943 8.180 0.346 0.114 0.525 277 P HA 0.001 2.799 4.420 -2.704 0.000 0.275 277 P C -2.967 174.007 177.300 -0.543 0.000 1.227 277 P CA -0.272 62.045 63.100 -1.303 0.000 0.781 277 P CB 1.976 33.097 31.700 -0.965 0.000 0.906 278 V N 1.516 121.136 119.914 -0.491 0.000 2.435 278 V HA 0.207 4.343 4.120 -0.116 -0.085 0.290 278 V C -1.511 174.476 176.094 -0.178 0.000 1.030 278 V CA -2.438 59.768 62.300 -0.157 0.000 0.881 278 V CB 2.684 34.519 31.823 0.019 0.000 0.983 278 V HN 0.120 7.791 8.190 -0.866 0.000 0.445 279 N N 10.205 128.796 118.700 -0.181 0.000 2.431 279 N HA 0.207 4.819 4.740 -0.213 0.000 0.265 279 N C -0.780 174.519 175.510 -0.351 0.000 1.184 279 N CA -1.042 51.874 53.050 -0.224 0.000 0.943 279 N CB -0.654 37.727 38.487 -0.175 0.000 1.080 279 N HN 0.124 8.413 8.380 -0.152 0.000 0.477 280 P HA -0.185 3.688 4.420 -0.912 0.000 0.217 280 P C 0.195 177.172 177.300 -0.538 0.000 1.148 280 P CA 2.441 65.003 63.100 -0.896 0.000 0.828 280 P CB 0.213 30.920 31.700 -1.654 0.000 0.783 281 D N -3.092 117.063 120.400 -0.408 0.000 2.323 281 D HA 0.002 4.478 4.640 -0.273 0.000 0.239 281 D C 0.326 176.506 176.300 -0.200 0.000 1.129 281 D CA 1.643 55.480 54.000 -0.273 0.000 0.865 281 D CB -1.645 39.018 40.800 -0.228 0.000 0.913 281 D HN -0.276 8.038 8.370 -0.411 -0.191 0.517 282 S N -0.338 115.238 115.700 -0.208 0.000 2.486 282 S HA 0.049 4.451 4.470 -0.113 0.000 0.220 282 S C 0.305 174.829 174.600 -0.127 0.000 1.011 282 S CA 2.564 60.677 58.200 -0.145 0.000 0.921 282 S CB 0.399 63.520 63.200 -0.132 0.000 0.785 282 S HN 0.235 8.085 8.310 -0.259 0.304 0.517 283 I N 0.190 120.644 120.570 -0.194 0.000 4.139 283 I HA 0.010 4.161 4.170 -0.032 0.000 0.320 283 I C 0.901 176.967 176.117 -0.086 0.000 1.290 283 I CA 1.463 62.682 61.300 -0.135 0.000 1.253 283 I CB 1.061 38.874 38.000 -0.310 0.000 1.122 283 I HN -0.004 7.838 8.210 -0.267 0.207 0.421 284 I N 0.500 120.976 120.570 -0.158 0.000 3.444 284 I HA -0.287 3.693 4.170 -0.084 0.140 0.287 284 I C -0.646 175.426 176.117 -0.076 0.000 1.302 284 I CA 2.481 63.711 61.300 -0.117 0.000 1.368 284 I CB -0.632 37.271 38.000 -0.162 0.000 1.048 284 I HN 0.951 8.726 8.210 -0.212 0.308 0.487 285 N N -1.577 117.104 118.700 -0.031 0.000 1.963 285 N HA 0.133 4.859 4.740 -0.023 0.000 0.244 285 N C 0.021 175.527 175.510 -0.008 0.000 1.288 285 N CA 0.983 54.017 53.050 -0.026 0.000 0.800 285 N CB 3.064 41.525 38.487 -0.043 0.000 1.293 285 N HN -0.303 8.045 8.380 -0.052 0.000 0.483 286 G N -0.252 108.551 108.800 0.005 0.000 3.424 286 G HA2 0.056 4.027 3.960 0.018 0.000 0.263 286 G HA3 0.056 4.110 3.960 0.029 -0.077 0.263 286 G C -1.294 173.671 174.900 0.108 0.000 1.310 286 G CA 0.152 45.273 45.100 0.036 0.000 1.089 286 G HN 0.227 8.322 8.290 -0.009 0.189 0.534 287 S N -1.370 114.386 115.700 0.094 0.000 2.672 287 S HA 0.071 4.631 4.470 0.151 0.000 0.271 287 S C -0.835 173.769 174.600 0.006 0.000 1.171 287 S CA -0.804 57.472 58.200 0.126 0.000 0.817 287 S CB 2.095 65.465 63.200 0.284 0.000 1.150 287 S HN -0.882 7.376 8.310 0.053 0.084 0.478 288 D N 1.073 121.420 120.400 -0.088 0.000 2.363 288 D HA -0.036 4.485 4.640 -0.198 0.000 0.226 288 D C -0.128 176.076 176.300 -0.160 0.000 1.020 288 D CA 1.616 55.477 54.000 -0.232 0.000 0.892 288 D CB -0.694 39.743 40.800 -0.604 0.000 0.900 288 D HN 0.182 8.658 8.370 -0.078 -0.152 0.531 289 A N -1.483 121.300 122.820 -0.062 0.000 2.239 289 A HA -0.109 4.171 4.320 -0.068 0.000 0.209 289 A C 0.056 177.612 177.584 -0.046 0.000 1.171 289 A CA 1.169 53.180 52.037 -0.042 0.000 0.768 289 A CB 0.157 19.168 19.000 0.017 0.000 0.790 289 A HN -0.302 7.745 8.150 -0.016 0.093 0.478 290 K N -0.549 119.824 120.400 -0.044 0.000 2.958 290 K HA 0.002 4.301 4.320 -0.035 0.000 0.304 290 K C 0.432 177.010 176.600 -0.038 0.000 0.995 290 K CA -0.243 56.022 56.287 -0.037 0.000 1.492 290 K CB 0.691 33.174 32.500 -0.028 0.000 1.842 290 K HN -0.801 7.341 8.250 -0.049 0.078 0.725 291 I N -2.305 118.259 120.570 -0.010 0.000 7.355 291 I HA -0.124 4.050 4.170 0.006 0.000 0.310 291 I C -0.047 176.075 176.117 0.009 0.000 1.839 291 I CA -0.150 61.150 61.300 0.001 0.000 2.037 291 I CB -0.281 37.719 38.000 -0.001 0.000 3.638 291 I HN 0.200 nan 8.210 nan 0.000 0.170 292 A N 5.230 128.063 122.820 0.022 0.000 2.021 292 A HA -0.110 4.230 4.320 0.032 0.000 0.216 292 A C -0.979 176.636 177.584 0.052 0.000 1.163 292 A CA 1.241 53.298 52.037 0.034 0.000 0.676 292 A CB 0.679 19.698 19.000 0.032 0.000 0.818 292 A HN 0.353 8.516 8.150 0.021 0.000 0.453 293 L N -3.351 117.905 121.223 0.055 0.000 2.565 293 L HA 0.123 4.519 4.340 0.093 0.000 0.261 293 L C -2.456 174.457 176.870 0.072 0.000 0.932 293 L CA 0.487 55.374 54.840 0.079 0.000 0.878 293 L CB 2.621 44.732 42.059 0.087 0.000 1.333 293 L HN -0.658 7.557 8.230 0.044 0.042 0.409 294 A N 5.349 128.217 122.820 0.080 0.000 2.569 294 A HA 0.295 4.648 4.320 0.053 0.000 0.282 294 A C -1.956 175.669 177.584 0.068 0.000 1.165 294 A CA -0.431 51.640 52.037 0.057 0.000 0.747 294 A CB 1.583 20.596 19.000 0.023 0.000 1.215 294 A HN 0.269 8.478 8.150 0.097 0.000 0.431 295 A N 4.099 126.964 122.820 0.075 0.000 2.276 295 A HA 0.448 4.956 4.320 0.053 -0.157 0.300 295 A C -0.442 177.081 177.584 -0.102 0.000 1.235 295 A CA -0.767 51.286 52.037 0.027 0.000 0.867 295 A CB 1.046 20.120 19.000 0.123 0.000 1.137 295 A HN 0.370 8.572 8.150 0.087 0.000 0.527 296 R N 2.407 122.812 120.500 -0.157 0.000 2.532 296 R HA 0.496 4.756 4.340 -0.133 0.000 0.297 296 R C -2.815 173.357 176.300 -0.213 0.000 0.984 296 R CA -3.676 52.337 56.100 -0.145 0.000 0.884 296 R CB 2.072 32.330 30.300 -0.070 0.000 1.182 296 R HN -0.018 8.155 8.270 -0.162 0.000 0.442 297 P HA 0.075 4.500 4.420 -0.268 -0.166 0.268 297 P C -1.420 175.819 177.300 -0.102 0.000 1.205 297 P CA 0.121 63.106 63.100 -0.192 0.000 0.771 297 P CB 0.499 32.114 31.700 -0.142 0.000 0.858 298 V N -4.275 115.593 119.914 -0.075 0.000 2.864 298 V HA 0.611 4.908 4.120 0.062 -0.140 0.314 298 V C -1.200 175.006 176.094 0.186 0.000 1.073 298 V CA -3.353 58.979 62.300 0.054 0.000 0.956 298 V CB 2.983 34.831 31.823 0.043 0.000 1.023 298 V HN -0.132 7.986 8.190 -0.120 0.000 0.435 299 K N 2.595 123.149 120.400 0.256 0.000 2.213 299 K HA 0.250 4.718 4.320 0.246 0.000 0.270 299 K C -1.007 175.827 176.600 0.390 0.000 1.002 299 K CA -2.063 54.383 56.287 0.266 0.000 0.868 299 K CB 2.633 35.220 32.500 0.146 0.000 1.093 299 K HN 0.181 8.570 8.250 0.231 0.000 0.454 300 A N 6.194 129.209 122.820 0.325 0.000 2.477 300 A HA -0.038 4.074 4.320 -0.347 0.000 0.246 300 A C -0.467 177.069 177.584 -0.080 0.000 1.078 300 A CA 0.015 52.017 52.037 -0.059 0.000 0.770 300 A CB 0.655 19.574 19.000 -0.135 0.000 1.011 300 A HN 0.446 8.792 8.150 0.327 0.000 0.494 301 I N 3.917 124.366 120.570 -0.202 0.000 2.307 301 I HA 0.136 4.278 4.170 -0.048 0.000 0.287 301 I C -1.208 174.809 176.117 -0.165 0.000 1.054 301 I CA -1.345 59.886 61.300 -0.115 0.000 1.218 301 I CB -1.951 36.000 38.000 -0.081 0.000 1.398 301 I HN -0.056 7.926 8.210 -0.380 0.000 0.475 302 T N 9.911 124.402 114.554 -0.105 0.000 2.893 302 T HA 0.285 4.565 4.350 -0.117 0.000 0.324 302 T C -1.743 172.918 174.700 -0.065 0.000 1.082 302 T CA -1.981 60.064 62.100 -0.091 0.000 0.983 302 T CB 0.848 69.682 68.868 -0.057 0.000 1.005 302 T HN 0.069 8.267 8.240 -0.069 0.000 0.475 303 P HA 0.391 4.751 4.420 -0.099 0.000 0.279 303 P C -2.984 174.228 177.300 -0.148 0.000 1.276 303 P CA -2.099 60.942 63.100 -0.098 0.000 0.801 303 P CB -0.658 30.998 31.700 -0.072 0.000 1.127 304 P HA 0.062 4.483 4.420 -0.331 -0.199 0.269 304 P C -0.502 176.634 177.300 -0.273 0.000 1.209 304 P CA 0.024 62.916 63.100 -0.347 0.000 0.776 304 P CB 0.745 32.050 31.700 -0.659 0.000 0.876 305 T N 5.639 120.037 114.554 -0.261 0.000 2.851 305 T HA 0.303 4.555 4.350 -0.164 0.000 0.298 305 T C -1.653 172.919 174.700 -0.212 0.000 0.977 305 T CA -1.045 60.933 62.100 -0.203 0.000 1.126 305 T CB -0.085 68.662 68.868 -0.202 0.000 0.916 305 T HN -0.165 7.911 8.240 -0.274 0.000 0.529 306 P HA -0.164 4.173 4.420 -0.137 0.000 0.270 306 P C -0.770 176.456 177.300 -0.124 0.000 1.223 306 P CA -0.423 62.600 63.100 -0.129 0.000 0.785 306 P CB 0.592 32.237 31.700 -0.091 0.000 0.923 307 A N 0.010 122.771 122.820 -0.098 0.000 2.572 307 A HA -0.272 4.350 4.320 -0.093 -0.358 0.256 307 A C -0.047 177.481 177.584 -0.093 0.000 1.041 307 A CA 0.824 52.808 52.037 -0.088 0.000 0.790 307 A CB 0.052 19.013 19.000 -0.065 0.000 0.947 307 A HN 0.261 8.360 8.150 -0.085 0.000 0.518 308 V N 3.891 123.741 119.914 -0.106 0.000 2.432 308 V HA -0.035 4.035 4.120 -0.084 0.000 0.271 308 V C 0.131 176.183 176.094 -0.070 0.000 1.046 308 V CA -0.341 61.904 62.300 -0.092 0.000 0.945 308 V CB -0.096 31.656 31.823 -0.118 0.000 0.992 308 V HN 0.404 8.524 8.190 -0.117 0.000 0.471 309 R N 5.141 125.609 120.500 -0.054 0.000 2.092 309 R HA -0.329 3.969 4.340 -0.069 0.000 0.231 309 R C 0.591 176.869 176.300 -0.037 0.000 1.119 309 R CA 2.365 58.433 56.100 -0.054 0.000 0.970 309 R CB 0.010 30.280 30.300 -0.050 0.000 0.864 309 R HN 0.224 8.463 8.270 -0.051 0.000 0.440 310 A N -0.507 122.326 122.820 0.022 0.000 3.048 310 A HA 0.114 4.508 4.320 0.124 0.000 0.264 310 A C -1.419 176.281 177.584 0.194 0.000 1.796 310 A CA -0.038 52.079 52.037 0.133 0.000 1.445 310 A CB -1.351 17.756 19.000 0.177 0.000 1.074 310 A HN 0.103 8.262 8.150 0.015 0.000 0.621 311 S N 1.032 116.795 115.700 0.105 0.000 2.570 311 S HA 0.740 5.571 4.470 0.234 -0.221 0.286 311 S C -2.298 172.371 174.600 0.115 0.000 1.099 311 S CA -0.748 57.529 58.200 0.128 0.000 0.913 311 S CB 3.888 67.072 63.200 -0.026 0.000 1.085 311 S HN -0.274 7.978 8.310 -0.001 0.057 0.480 312 W N 4.105 125.427 121.300 0.038 0.000 2.311 312 W HA 0.327 5.005 4.660 -0.161 -0.114 0.317 312 W C -2.134 174.247 176.519 -0.229 0.000 1.065 312 W CA -0.921 56.382 57.345 -0.069 0.000 1.364 312 W CB 1.044 30.562 29.460 0.096 0.000 1.233 312 W HN 0.643 9.078 8.180 0.426 0.000 0.409 313 V N 8.940 128.443 119.914 -0.685 0.000 2.394 313 V HA 0.506 4.614 4.120 -0.296 -0.165 0.282 313 V C 0.102 175.798 176.094 -0.664 0.000 1.031 313 V CA -1.116 60.721 62.300 -0.771 0.000 0.881 313 V CB -0.075 30.793 31.823 -1.592 0.000 0.982 313 V HN 0.493 8.116 8.190 -0.945 0.000 0.451 314 H N 6.208 125.192 119.070 -0.143 0.000 2.981 314 H HA 0.983 5.480 4.556 -0.098 0.000 0.327 314 H C -2.118 173.427 175.328 0.362 0.000 1.342 314 H CA -1.384 54.675 56.048 0.019 0.000 1.123 314 H CB 3.239 33.021 29.762 0.033 0.000 1.851 314 H HN 0.196 nan 8.280 nan 0.000 0.531 315 K N -0.343 120.118 120.400 0.102 0.000 2.561 315 K HA 0.447 4.722 4.320 -0.075 0.000 0.254 315 K C -1.891 174.757 176.600 0.081 0.000 0.942 315 K CA 0.243 56.544 56.287 0.023 0.000 0.818 315 K CB 3.286 35.801 32.500 0.025 0.000 1.306 315 K HN -0.082 8.163 8.250 -0.009 0.000 0.435 316 T N 4.911 119.551 114.554 0.144 0.000 2.934 316 T HA 0.381 5.113 4.350 0.424 -0.127 0.283 316 T C -1.100 173.694 174.700 0.157 0.000 1.005 316 T CA -1.218 61.031 62.100 0.248 0.000 1.041 316 T CB 1.936 70.908 68.868 0.173 0.000 1.042 316 T HN 0.043 8.304 8.240 0.035 0.000 0.505 317 G N 2.086 110.988 108.800 0.169 0.000 2.718 317 G HA2 0.382 4.437 3.960 0.158 0.000 0.295 317 G HA3 0.382 4.676 3.960 0.183 -0.224 0.295 317 G C -3.380 171.610 174.900 0.150 0.000 1.421 317 G CA -0.812 44.386 45.100 0.163 0.000 0.902 317 G HN -0.091 8.312 8.290 0.189 0.000 0.501 318 A N 0.112 123.021 122.820 0.147 0.000 2.587 318 A HA 1.075 5.681 4.320 0.195 -0.169 0.293 318 A C -1.695 175.979 177.584 0.150 0.000 1.087 318 A CA -0.831 51.297 52.037 0.153 0.000 0.692 318 A CB 3.816 22.872 19.000 0.093 0.000 1.291 318 A HN 0.104 8.343 8.150 0.149 0.000 0.407 319 T N -1.103 113.575 114.554 0.207 0.000 2.773 319 T HA 0.356 4.747 4.350 0.069 0.000 0.278 319 T C 1.336 176.143 174.700 0.179 0.000 1.011 319 T CA -2.733 59.471 62.100 0.173 0.000 1.014 319 T CB 2.274 71.287 68.868 0.242 0.000 1.293 319 T HN -0.029 8.377 8.240 0.275 0.000 0.554 320 G N 0.533 109.423 108.800 0.150 0.000 2.450 320 G HA2 -0.215 3.801 3.960 0.092 0.000 0.220 320 G HA3 -0.215 3.810 3.960 0.108 0.000 0.220 320 G C 0.024 175.016 174.900 0.153 0.000 1.130 320 G CA 1.616 46.791 45.100 0.124 0.000 0.760 320 G HN 0.638 9.010 8.290 0.135 0.000 0.557 321 G N -3.146 105.791 108.800 0.229 0.000 3.192 321 G HA2 0.305 4.302 3.960 0.061 0.000 0.239 321 G HA3 0.305 4.290 3.960 0.042 0.000 0.239 321 G C -1.729 173.164 174.900 -0.010 0.000 1.084 321 G CA -0.795 44.365 45.100 0.101 0.000 0.784 321 G HN -0.675 7.788 8.290 0.332 0.026 0.540 322 F N -1.199 118.882 119.950 0.218 0.000 2.599 322 F HA 0.449 5.294 4.527 0.334 -0.118 0.311 322 F C -1.752 174.183 175.800 0.224 0.000 1.076 322 F CA -1.030 57.138 58.000 0.279 0.000 0.937 322 F CB 4.850 44.037 39.000 0.311 0.000 1.282 322 F HN -0.847 7.712 8.300 0.431 0.000 0.460 323 G N -0.099 108.960 108.800 0.433 0.000 2.707 323 G HA2 0.464 4.705 3.960 0.194 0.000 0.299 323 G HA3 0.464 4.494 3.960 0.117 0.000 0.299 323 G C -2.596 172.467 174.900 0.271 0.000 1.442 323 G CA -0.687 44.557 45.100 0.241 0.000 1.009 323 G HN 0.248 8.842 8.290 0.507 0.000 0.515 324 S N 4.324 120.159 115.700 0.224 0.000 2.599 324 S HA 1.115 5.933 4.470 0.253 -0.197 0.294 324 S C -1.916 172.868 174.600 0.307 0.000 1.094 324 S CA -0.957 57.393 58.200 0.250 0.000 0.931 324 S CB 4.151 67.492 63.200 0.235 0.000 1.093 324 S HN 0.445 8.869 8.310 0.190 0.000 0.488 325 Y N 1.601 121.999 120.300 0.164 0.000 2.521 325 Y HA 0.512 5.330 4.550 0.172 -0.165 0.332 325 Y C -2.782 173.257 175.900 0.231 0.000 1.121 325 Y CA -0.493 57.718 58.100 0.186 0.000 1.037 325 Y CB 4.300 42.873 38.460 0.188 0.000 1.330 325 Y HN 0.378 8.854 8.280 0.328 0.000 0.452 326 V N 1.744 121.465 119.914 -0.322 0.000 2.623 326 V HA 0.912 5.191 4.120 -0.052 -0.190 0.304 326 V C -2.798 173.083 176.094 -0.354 0.000 1.054 326 V CA -2.794 59.429 62.300 -0.128 0.000 0.882 326 V CB 3.140 35.114 31.823 0.252 0.000 1.002 326 V HN 0.113 8.005 8.190 -0.496 0.000 0.424 327 A N 5.807 128.425 122.820 -0.336 0.000 2.475 327 A HA 1.165 5.354 4.320 -0.597 -0.227 0.301 327 A C -2.408 174.916 177.584 -0.433 0.000 1.059 327 A CA -1.668 50.014 52.037 -0.591 0.000 0.710 327 A CB 4.066 22.538 19.000 -0.880 0.000 1.288 327 A HN 0.343 8.384 8.150 -0.183 0.000 0.408 328 F N -4.117 115.399 119.950 -0.723 0.000 2.668 328 F HA 0.888 5.282 4.527 -0.541 -0.191 0.309 328 F C -2.957 172.492 175.800 -0.585 0.000 1.117 328 F CA -1.819 55.829 58.000 -0.586 0.000 0.951 328 F CB 3.372 42.082 39.000 -0.482 0.000 1.323 328 F HN 0.697 8.296 8.300 -1.167 0.000 0.451 329 I N -0.327 120.055 120.570 -0.313 0.000 2.495 329 I HA 0.790 4.944 4.170 -0.424 -0.238 0.277 329 I C -1.365 174.604 176.117 -0.247 0.000 1.045 329 I CA -3.349 57.703 61.300 -0.413 0.000 1.135 329 I CB 1.509 39.078 38.000 -0.718 0.000 1.241 329 I HN 0.553 8.642 8.210 -0.201 0.000 0.469 330 P HA -0.214 4.160 4.420 -0.077 0.000 0.216 330 P C 1.437 178.653 177.300 -0.141 0.000 1.153 330 P CA 2.662 65.705 63.100 -0.096 0.000 0.858 330 P CB 0.472 32.133 31.700 -0.066 0.000 0.789 331 E N -2.531 117.577 120.200 -0.153 0.000 2.114 331 E HA -0.344 3.949 4.350 -0.094 0.000 0.199 331 E C 1.715 178.222 176.600 -0.155 0.000 1.008 331 E CA 2.864 59.186 56.400 -0.130 0.000 0.810 331 E CB -0.154 29.485 29.700 -0.101 0.000 0.739 331 E HN -0.223 8.042 8.360 -0.158 0.000 0.456 332 K N -4.246 116.016 120.400 -0.231 0.000 2.374 332 K HA 0.003 4.219 4.320 -0.173 0.000 0.196 332 K C -0.578 175.893 176.600 -0.215 0.000 1.023 332 K CA -0.340 55.814 56.287 -0.222 0.000 1.103 332 K CB 0.349 32.672 32.500 -0.294 0.000 0.848 332 K HN -0.641 7.412 8.250 -0.291 0.023 0.528 333 E N -5.233 114.849 120.200 -0.196 0.000 2.539 333 E HA -0.494 3.749 4.350 -0.179 0.000 0.253 333 E C -1.582 174.907 176.600 -0.186 0.000 1.145 333 E CA 0.978 57.266 56.400 -0.188 0.000 0.738 333 E CB -2.725 26.864 29.700 -0.185 0.000 1.308 333 E HN -0.443 7.634 8.360 -0.187 0.170 0.409 334 L N -3.561 117.555 121.223 -0.179 0.000 2.334 334 L HA 0.886 5.425 4.340 -0.072 -0.242 0.272 334 L C -0.513 176.290 176.870 -0.112 0.000 1.020 334 L CA -1.534 53.233 54.840 -0.122 0.000 0.812 334 L CB 3.513 45.498 42.059 -0.123 0.000 1.264 334 L HN -0.988 7.032 8.230 -0.207 0.086 0.439 335 G N -0.962 107.803 108.800 -0.059 0.000 2.559 335 G HA2 0.806 4.821 3.960 -0.092 0.000 0.291 335 G HA3 0.806 4.739 3.960 -0.046 0.000 0.291 335 G C -3.268 171.634 174.900 0.003 0.000 1.424 335 G CA 0.148 45.218 45.100 -0.050 0.000 0.786 335 G HN 0.163 8.442 8.290 -0.018 0.000 0.485 336 I N -1.381 119.198 120.570 0.016 0.000 2.827 336 I HA 0.968 5.409 4.170 0.111 -0.205 0.298 336 I C -2.807 173.379 176.117 0.114 0.000 1.235 336 I CA -2.096 59.258 61.300 0.090 0.000 1.021 336 I CB 4.424 42.502 38.000 0.130 0.000 1.259 336 I HN 0.648 8.848 8.210 -0.016 0.000 0.427 337 V N 6.218 126.233 119.914 0.168 0.000 2.588 337 V HA 0.620 5.014 4.120 0.182 -0.165 0.304 337 V C -1.644 174.584 176.094 0.223 0.000 1.042 337 V CA -1.837 60.580 62.300 0.195 0.000 0.877 337 V CB 2.800 34.747 31.823 0.205 0.000 0.996 337 V HN 0.449 8.747 8.190 0.180 0.000 0.425 338 M N 6.513 126.258 119.600 0.241 0.000 2.142 338 M HA 0.480 5.226 4.480 0.213 -0.137 0.299 338 M C -1.789 174.612 176.300 0.169 0.000 0.960 338 M CA -0.536 54.906 55.300 0.236 0.000 0.920 338 M CB 2.622 35.412 32.600 0.316 0.000 1.541 338 M HN 0.671 9.115 8.290 0.256 0.000 0.429 339 L N 2.856 124.075 121.223 -0.007 0.000 2.333 339 L HA 0.512 4.831 4.340 -0.035 0.000 0.280 339 L C -2.158 174.538 176.870 -0.290 0.000 1.004 339 L CA -1.223 53.456 54.840 -0.268 0.000 0.820 339 L CB 2.202 43.763 42.059 -0.831 0.000 1.247 339 L HN 0.684 8.909 8.230 -0.009 0.000 0.416 340 A N 1.795 124.700 122.820 0.142 0.000 2.454 340 A HA 0.826 5.545 4.320 0.382 -0.170 0.302 340 A C -1.558 176.387 177.584 0.601 0.000 1.079 340 A CA -1.773 50.497 52.037 0.388 0.000 0.731 340 A CB 4.195 23.439 19.000 0.407 0.000 1.299 340 A HN 0.433 8.738 8.150 0.259 0.000 0.413 341 N N 0.010 119.005 118.700 0.493 0.000 2.714 341 N HA 0.036 4.531 4.740 -0.409 0.000 0.298 341 N C -1.569 173.957 175.510 0.027 0.000 1.298 341 N CA -0.716 52.331 53.050 -0.005 0.000 1.007 341 N CB -0.416 38.037 38.487 -0.057 0.000 1.318 341 N HN -0.132 8.561 8.380 0.521 0.000 0.516 342 K N -0.464 120.038 120.400 0.170 0.000 2.525 342 K HA 0.119 4.610 4.320 0.139 -0.087 0.254 342 K C -1.853 174.932 176.600 0.308 0.000 0.934 342 K CA -0.510 55.899 56.287 0.203 0.000 0.802 342 K CB 2.961 35.578 32.500 0.195 0.000 1.295 342 K HN -0.722 7.592 8.250 0.271 0.098 0.433 343 N N 6.783 125.618 118.700 0.224 0.000 2.508 343 N HA -0.042 4.797 4.740 0.165 0.000 0.253 343 N C -1.126 174.485 175.510 0.168 0.000 1.145 343 N CA -0.151 53.005 53.050 0.176 0.000 0.973 343 N CB -1.270 37.295 38.487 0.130 0.000 1.305 343 N HN 0.381 8.868 8.380 0.179 0.000 0.506 344 Y N 2.873 123.221 120.300 0.079 0.000 2.453 344 Y HA 0.423 5.000 4.550 0.045 0.000 0.326 344 Y C -2.346 173.578 175.900 0.039 0.000 1.186 344 Y CA -4.002 54.129 58.100 0.051 0.000 1.200 344 Y CB -0.661 37.825 38.460 0.043 0.000 1.247 344 Y HN -0.617 7.725 8.280 0.103 0.000 0.482 345 P HA -0.062 4.330 4.420 -0.047 0.000 0.262 345 P C -0.596 176.616 177.300 -0.147 0.000 1.182 345 P CA 0.459 63.537 63.100 -0.036 0.000 0.761 345 P CB 1.302 33.026 31.700 0.039 0.000 0.795 346 N N 3.674 122.283 118.700 -0.151 0.000 2.104 346 N HA -0.286 4.300 4.740 -0.256 0.000 0.190 346 N C 0.036 175.463 175.510 -0.138 0.000 1.024 346 N CA 4.788 57.733 53.050 -0.175 0.000 0.853 346 N CB -1.268 37.148 38.487 -0.119 0.000 1.008 346 N HN 0.427 8.738 8.380 -0.115 0.000 0.424 347 P HA -0.158 4.372 4.420 -0.069 -0.152 0.218 347 P C 0.353 177.633 177.300 -0.033 0.000 1.148 347 P CA 2.584 65.649 63.100 -0.057 0.000 0.822 347 P CB -0.434 31.243 31.700 -0.039 0.000 0.784 348 A N -3.664 119.164 122.820 0.014 0.000 1.969 348 A HA -0.181 4.178 4.320 0.066 0.000 0.218 348 A C 1.910 179.566 177.584 0.120 0.000 1.169 348 A CA 2.625 54.719 52.037 0.095 0.000 0.635 348 A CB -0.622 18.500 19.000 0.203 0.000 0.810 348 A HN -0.463 7.672 8.150 0.011 0.022 0.445 349 R N -1.773 118.741 120.500 0.023 0.000 2.062 349 R HA -0.294 4.136 4.340 0.150 0.000 0.231 349 R C 2.388 178.579 176.300 -0.182 0.000 1.136 349 R CA 3.164 59.225 56.100 -0.065 0.000 0.948 349 R CB -0.220 29.882 30.300 -0.330 0.000 0.845 349 R HN -0.756 7.364 8.270 -0.059 0.114 0.430 350 V N -0.353 119.394 119.914 -0.278 0.000 2.358 350 V HA -0.440 3.591 4.120 -0.149 0.000 0.246 350 V C 1.560 177.724 176.094 0.116 0.000 1.047 350 V CA 3.763 65.996 62.300 -0.112 0.000 1.035 350 V CB -0.768 31.022 31.823 -0.056 0.000 0.658 350 V HN -0.366 7.666 8.190 -0.265 0.000 0.452 351 D N 0.132 120.567 120.400 0.059 0.000 2.104 351 D HA -0.463 4.230 4.640 0.087 0.000 0.194 351 D C 1.544 177.967 176.300 0.204 0.000 0.994 351 D CA 3.876 57.938 54.000 0.102 0.000 0.830 351 D CB -0.074 40.752 40.800 0.043 0.000 0.959 351 D HN -0.105 8.270 8.370 0.008 0.000 0.452 352 A N -1.403 121.519 122.820 0.170 0.000 1.873 352 A HA -0.237 4.174 4.320 0.152 0.000 0.215 352 A C 1.915 179.650 177.584 0.253 0.000 1.186 352 A CA 3.032 55.175 52.037 0.175 0.000 0.616 352 A CB -0.728 18.348 19.000 0.126 0.000 0.823 352 A HN -0.585 7.646 8.150 0.134 0.000 0.442 353 A N -1.217 121.811 122.820 0.348 0.000 1.883 353 A HA -0.284 4.266 4.320 0.383 0.000 0.217 353 A C 1.503 179.425 177.584 0.564 0.000 1.186 353 A CA 2.945 55.275 52.037 0.489 0.000 0.624 353 A CB -0.766 18.697 19.000 0.771 0.000 0.822 353 A HN -0.308 8.028 8.150 0.310 0.000 0.444 354 W N -0.837 120.708 121.300 0.407 0.000 2.358 354 W HA -0.462 4.499 4.660 0.503 0.000 0.303 354 W C 1.612 178.263 176.519 0.219 0.000 1.208 354 W CA 4.362 61.892 57.345 0.308 0.000 1.274 354 W CB 0.254 29.731 29.460 0.028 0.000 1.138 354 W HN 0.062 8.634 8.180 0.653 0.000 0.515 355 Q N -0.703 119.359 119.800 0.436 0.000 2.096 355 Q HA -0.461 4.050 4.340 0.286 0.000 0.204 355 Q C 2.562 178.597 176.000 0.058 0.000 0.982 355 Q CA 3.505 59.456 55.803 0.248 0.000 0.850 355 Q CB -0.147 28.731 28.738 0.233 0.000 0.901 355 Q HN -0.405 8.155 8.270 0.484 0.000 0.422 356 I N -0.658 119.966 120.570 0.090 0.000 2.163 356 I HA -0.475 3.701 4.170 0.009 0.000 0.240 356 I C 2.066 178.187 176.117 0.007 0.000 1.081 356 I CA 4.185 65.508 61.300 0.039 0.000 1.353 356 I CB 0.211 38.247 38.000 0.060 0.000 1.054 356 I HN -0.481 7.822 8.210 0.155 0.000 0.407 357 L N -2.470 118.777 121.223 0.040 0.000 2.093 357 L HA -0.470 3.881 4.340 0.017 0.000 0.208 357 L C 1.739 178.555 176.870 -0.090 0.000 1.085 357 L CA 2.954 57.800 54.840 0.010 0.000 0.755 357 L CB -0.769 41.343 42.059 0.088 0.000 0.904 357 L HN -0.089 8.210 8.230 0.114 0.000 0.435 358 N N -0.808 117.699 118.700 -0.321 0.000 2.223 358 N HA -0.315 4.352 4.740 -0.311 -0.114 0.185 358 N C 2.000 177.387 175.510 -0.204 0.000 1.016 358 N CA 3.247 56.012 53.050 -0.475 0.000 0.863 358 N CB 0.308 38.007 38.487 -1.313 0.000 0.983 358 N HN 0.234 8.374 8.380 -0.399 0.000 0.429 359 A N -0.651 122.087 122.820 -0.136 0.000 1.968 359 A HA -0.092 4.200 4.320 -0.048 0.000 0.217 359 A C 0.890 178.464 177.584 -0.016 0.000 1.169 359 A CA 2.406 54.410 52.037 -0.056 0.000 0.638 359 A CB -0.101 18.875 19.000 -0.040 0.000 0.812 359 A HN -0.616 7.428 8.150 -0.154 0.013 0.446 360 L N -3.168 118.058 121.223 0.004 0.000 2.554 360 L HA -0.010 4.365 4.340 0.059 0.000 0.225 360 L C 0.812 177.769 176.870 0.146 0.000 1.104 360 L CA -0.324 54.565 54.840 0.081 0.000 0.866 360 L CB 0.452 42.575 42.059 0.105 0.000 1.047 360 L HN -0.773 7.271 8.230 -0.016 0.176 0.468 361 Q N 0.000 119.844 119.800 0.073 0.000 2.315 361 Q HA 0.000 4.359 4.340 0.032 0.000 0.214 361 Q CA 0.000 55.847 55.803 0.074 0.000 1.022 361 Q CB 0.000 28.823 28.738 0.142 0.000 1.108 361 Q HN 0.000 8.239 8.270 0.038 0.054 0.481