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 1jlv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDFYYLPGSA PCRAVQMTAA AVGVELNLKL TNLMAGEHMK PEFLKINPQH DATA SEQUENCE CIPTLVDNGF ALWESRAICT YLAEKYGKDD KLYPKDPQKR AVVNQRLYFD DATA SEQUENCE MGTLYQRFAD YYYPQIFAKQ PANAENEKKM KDAVDFLNTF LDGHKYVAGD DATA SEQUENCE SLTIADLTVL ATVSTYDVAG FELAKYPHVA AWYERTRKEA PGAAINEAGI DATA SEQUENCE EEFRKYF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.341 176.300 0.068 0.000 1.140 1 M CA 0.000 55.345 55.300 0.075 0.000 0.988 1 M CB 0.000 32.654 32.600 0.089 0.000 1.302 2 D N 2.875 123.334 120.400 0.099 0.000 2.255 2 D HA 0.535 5.175 4.640 -0.001 0.000 0.249 2 D C -1.541 174.852 176.300 0.155 0.000 1.078 2 D CA 0.291 54.318 54.000 0.046 0.000 0.896 2 D CB 1.827 42.619 40.800 -0.013 0.000 1.194 2 D HN 0.555 8.925 8.370 -0.000 0.000 0.429 3 F N 2.781 122.644 119.950 -0.144 0.000 2.513 3 F HA 0.253 4.779 4.527 -0.001 0.000 0.358 3 F C -1.391 174.391 175.800 -0.031 0.000 1.118 3 F CA -1.042 56.931 58.000 -0.044 0.000 1.037 3 F CB 0.293 39.221 39.000 -0.121 0.000 1.276 3 F HN 0.140 8.440 8.300 -0.000 0.000 0.446 4 Y N 7.236 127.471 120.300 -0.108 0.000 2.436 4 Y HA 0.370 4.919 4.550 -0.001 0.000 0.343 4 Y C -0.057 175.673 175.900 -0.284 0.000 1.008 4 Y CA -0.051 58.011 58.100 -0.063 0.000 1.241 4 Y CB 0.079 38.632 38.460 0.155 0.000 1.153 4 Y HN 0.631 8.911 8.280 -0.000 0.000 0.521 5 Y N 1.015 121.100 120.300 -0.359 0.000 2.900 5 Y HA 0.821 5.371 4.550 -0.001 0.000 0.318 5 Y C -2.493 173.320 175.900 -0.145 0.000 1.457 5 Y CA -1.757 56.120 58.100 -0.371 0.000 1.082 5 Y CB 1.266 39.347 38.460 -0.632 0.000 1.419 5 Y HN 0.268 8.548 8.280 -0.000 0.000 0.459 6 L N 2.718 123.568 121.223 -0.621 0.000 2.470 6 L HA 0.521 4.861 4.340 -0.001 0.000 0.268 6 L C -2.006 174.593 176.870 -0.452 0.000 0.964 6 L CA -2.477 51.991 54.840 -0.619 0.000 0.839 6 L CB 2.355 44.290 42.059 -0.208 0.000 1.276 6 L HN 0.517 8.747 8.230 -0.000 0.000 0.403 7 P HA -0.134 4.286 4.420 -0.000 0.000 0.216 7 P C 1.080 178.474 177.300 0.155 0.000 1.150 7 P CA 1.641 64.770 63.100 0.049 0.000 0.843 7 P CB 0.333 32.072 31.700 0.063 0.000 0.787 8 G N -0.542 108.348 108.800 0.151 0.000 2.650 8 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.214 8 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.214 8 G C 0.740 175.839 174.900 0.331 0.000 1.136 8 G CA 0.049 45.331 45.100 0.304 0.000 0.789 8 G HN 0.410 8.700 8.290 -0.000 0.000 0.536 9 S N 0.343 116.186 115.700 0.237 0.000 2.510 9 S HA 0.467 4.936 4.470 -0.001 0.000 0.279 9 S C 1.727 176.384 174.600 0.095 0.000 1.284 9 S CA 0.277 58.587 58.200 0.183 0.000 1.059 9 S CB 1.159 64.441 63.200 0.135 0.000 0.901 9 S HN 0.422 8.732 8.310 -0.000 0.000 0.491 10 A N 8.104 130.910 122.820 -0.024 0.000 1.858 10 A HA 0.047 4.367 4.320 -0.001 0.000 0.216 10 A C -0.100 177.449 177.584 -0.059 0.000 1.190 10 A CA 1.295 53.273 52.037 -0.099 0.000 0.617 10 A CB -1.710 17.121 19.000 -0.282 0.000 0.827 10 A HN 0.798 8.948 8.150 -0.000 0.000 0.443 11 P HA -0.135 4.285 4.420 -0.000 0.000 0.218 11 P C 1.426 178.805 177.300 0.132 0.000 1.148 11 P CA 1.440 64.531 63.100 -0.015 0.000 0.822 11 P CB -0.377 31.303 31.700 -0.034 0.000 0.784 12 C N -0.239 119.172 119.300 0.185 0.000 2.476 12 C HA 0.043 4.502 4.460 -0.001 0.000 0.278 12 C C 2.927 178.143 174.990 0.378 0.000 1.274 12 C CA 0.499 59.742 59.018 0.375 0.000 1.713 12 C CB -1.524 26.430 27.740 0.356 0.000 2.039 12 C HN 0.243 8.473 8.230 -0.000 0.000 0.484 13 R N 1.049 121.696 120.500 0.245 0.000 2.152 13 R HA -0.099 4.240 4.340 -0.001 0.000 0.232 13 R C 2.289 178.662 176.300 0.121 0.000 1.117 13 R CA 1.430 57.640 56.100 0.183 0.000 0.981 13 R CB -0.380 30.004 30.300 0.141 0.000 0.870 13 R HN 0.572 8.842 8.270 -0.000 0.000 0.451 14 A N 0.531 123.415 122.820 0.106 0.000 1.898 14 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 14 A C 2.296 179.911 177.584 0.051 0.000 1.181 14 A CA 1.249 53.330 52.037 0.074 0.000 0.620 14 A CB -0.384 18.650 19.000 0.058 0.000 0.819 14 A HN 0.112 8.262 8.150 -0.000 0.000 0.442 15 V N -0.046 119.912 119.914 0.074 0.000 2.358 15 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 15 V C 2.612 178.602 176.094 -0.175 0.000 1.047 15 V CA 2.126 64.406 62.300 -0.032 0.000 1.035 15 V CB -0.910 30.920 31.823 0.013 0.000 0.658 15 V HN 0.621 8.811 8.190 -0.000 0.000 0.452 16 Q N -0.749 118.974 119.800 -0.129 0.000 2.096 16 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 16 Q C 2.292 178.234 176.000 -0.096 0.000 0.982 16 Q CA 1.790 57.495 55.803 -0.164 0.000 0.850 16 Q CB -0.222 28.503 28.738 -0.021 0.000 0.901 16 Q HN 0.574 8.844 8.270 -0.000 0.000 0.422 17 M N -0.478 119.104 119.600 -0.031 0.000 2.200 17 M HA -0.115 4.365 4.480 -0.001 0.000 0.265 17 M C 2.065 178.347 176.300 -0.030 0.000 1.066 17 M CA 1.187 56.478 55.300 -0.015 0.000 1.127 17 M CB -0.152 32.462 32.600 0.023 0.000 1.379 17 M HN 0.157 8.447 8.290 -0.000 0.000 0.420 18 T N 0.869 115.400 114.554 -0.038 0.000 2.821 18 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 18 T C 1.916 176.574 174.700 -0.070 0.000 1.046 18 T CA 1.440 63.515 62.100 -0.041 0.000 1.139 18 T CB -0.246 68.599 68.868 -0.038 0.000 0.871 18 T HN 0.478 8.718 8.240 -0.000 0.000 0.454 19 A N 1.419 124.166 122.820 -0.122 0.000 1.933 19 A HA 0.182 4.502 4.320 -0.001 0.000 0.218 19 A C 2.616 180.128 177.584 -0.120 0.000 1.175 19 A CA 1.721 53.665 52.037 -0.155 0.000 0.628 19 A CB -0.991 17.860 19.000 -0.248 0.000 0.814 19 A HN 0.498 8.648 8.150 -0.000 0.000 0.444 20 A N -0.157 122.605 122.820 -0.096 0.000 1.930 20 A HA 0.200 4.519 4.320 -0.001 0.000 0.217 20 A C 2.469 180.024 177.584 -0.048 0.000 1.175 20 A CA 1.882 53.878 52.037 -0.068 0.000 0.627 20 A CB -0.912 18.057 19.000 -0.050 0.000 0.815 20 A HN 1.020 9.170 8.150 -0.000 0.000 0.443 21 A N -0.136 122.661 122.820 -0.038 0.000 1.933 21 A HA 0.008 4.328 4.320 -0.001 0.000 0.218 21 A C 1.977 179.548 177.584 -0.021 0.000 1.175 21 A CA 1.949 53.973 52.037 -0.021 0.000 0.628 21 A CB -0.902 18.092 19.000 -0.010 0.000 0.814 21 A HN 1.171 9.321 8.150 -0.000 0.000 0.444 22 V N -3.867 116.029 119.914 -0.030 0.000 3.514 22 V HA 0.542 4.662 4.120 -0.001 0.000 0.301 22 V C 1.173 177.247 176.094 -0.035 0.000 1.346 22 V CA 0.389 62.680 62.300 -0.015 0.000 1.156 22 V CB -0.938 30.892 31.823 0.011 0.000 1.029 22 V HN 1.448 9.638 8.190 -0.000 0.000 0.428 23 G N 0.406 109.172 108.800 -0.055 0.000 2.249 23 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.273 23 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.273 23 G C -0.024 174.808 174.900 -0.113 0.000 1.036 23 G CA 0.357 45.416 45.100 -0.067 0.000 0.824 23 G HN 0.840 9.130 8.290 -0.000 0.000 0.504 24 V N -0.001 119.814 119.914 -0.165 0.000 2.427 24 V HA 0.508 4.627 4.120 -0.001 0.000 0.286 24 V C 0.214 176.184 176.094 -0.206 0.000 1.034 24 V CA -0.781 61.365 62.300 -0.257 0.000 0.893 24 V CB 1.749 33.331 31.823 -0.401 0.000 0.982 24 V HN 0.347 8.537 8.190 -0.000 0.000 0.452 25 E N 4.386 124.477 120.200 -0.181 0.000 2.229 25 E HA 0.494 4.843 4.350 -0.001 0.000 0.283 25 E C -0.766 175.745 176.600 -0.149 0.000 1.030 25 E CA -0.084 56.231 56.400 -0.141 0.000 0.836 25 E CB 1.056 30.697 29.700 -0.098 0.000 1.068 25 E HN 0.484 8.844 8.360 -0.000 0.000 0.401 26 L N 3.161 124.289 121.223 -0.158 0.000 2.282 26 L HA 0.389 4.728 4.340 -0.001 0.000 0.288 26 L C 0.020 176.842 176.870 -0.080 0.000 1.033 26 L CA -0.505 54.246 54.840 -0.148 0.000 0.807 26 L CB 0.955 42.847 42.059 -0.278 0.000 1.209 26 L HN 0.410 8.640 8.230 -0.000 0.000 0.423 27 N N 3.629 122.306 118.700 -0.038 0.000 2.448 27 N HA 0.212 4.951 4.740 -0.001 0.000 0.250 27 N C -0.768 174.725 175.510 -0.029 0.000 1.136 27 N CA -0.795 52.237 53.050 -0.030 0.000 0.953 27 N CB 0.550 39.024 38.487 -0.020 0.000 1.251 27 N HN 0.289 8.669 8.380 -0.000 0.000 0.502 28 L N 2.906 124.107 121.223 -0.037 0.000 2.499 28 L HA 0.038 4.377 4.340 -0.001 0.000 0.273 28 L C 0.441 177.305 176.870 -0.009 0.000 1.195 28 L CA 0.821 55.636 54.840 -0.043 0.000 0.882 28 L CB 0.149 42.178 42.059 -0.049 0.000 1.133 28 L HN 0.341 8.571 8.230 -0.000 0.000 0.483 29 K N 5.109 125.505 120.400 -0.008 0.000 2.646 29 K HA 0.324 4.643 4.320 -0.001 0.000 0.210 29 K C -0.671 175.983 176.600 0.090 0.000 1.020 29 K CA -0.446 55.791 56.287 -0.082 0.000 1.040 29 K CB 1.116 33.292 32.500 -0.541 0.000 1.253 29 K HN 0.493 8.743 8.250 -0.000 0.000 0.532 30 L N 2.164 123.465 121.223 0.131 0.000 2.615 30 L HA 0.020 4.359 4.340 -0.001 0.000 0.271 30 L C -0.161 176.684 176.870 -0.041 0.000 1.183 30 L CA 0.895 55.734 54.840 -0.001 0.000 0.933 30 L CB 0.172 42.218 42.059 -0.023 0.000 1.199 30 L HN 0.387 8.617 8.230 -0.000 0.000 0.487 31 T N 3.996 118.491 114.554 -0.098 0.000 2.947 31 T HA 0.113 4.462 4.350 -0.001 0.000 0.337 31 T C 0.169 174.783 174.700 -0.142 0.000 1.139 31 T CA -0.404 61.635 62.100 -0.103 0.000 0.992 31 T CB 0.055 68.846 68.868 -0.128 0.000 1.043 31 T HN 0.530 8.770 8.240 -0.000 0.000 0.498 32 N N 4.145 122.782 118.700 -0.105 0.000 2.402 32 N HA 0.129 4.869 4.740 -0.001 0.000 0.259 32 N C 1.268 176.730 175.510 -0.079 0.000 1.167 32 N CA -0.407 52.587 53.050 -0.094 0.000 0.949 32 N CB 0.369 38.817 38.487 -0.066 0.000 1.212 32 N HN 0.538 8.918 8.380 -0.000 0.000 0.493 33 L N 2.837 123.981 121.223 -0.133 0.000 2.201 33 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 33 L C 1.857 178.702 176.870 -0.043 0.000 1.105 33 L CA 0.666 55.398 54.840 -0.180 0.000 0.775 33 L CB -0.214 41.605 42.059 -0.399 0.000 0.913 33 L HN 0.716 8.946 8.230 -0.000 0.000 0.440 34 M N -0.542 119.029 119.600 -0.047 0.000 2.686 34 M HA 0.018 4.497 4.480 -0.001 0.000 0.246 34 M C 1.672 177.962 176.300 -0.015 0.000 1.096 34 M CA 0.649 55.934 55.300 -0.025 0.000 1.076 34 M CB -0.985 31.599 32.600 -0.027 0.000 1.504 34 M HN 0.220 8.510 8.290 -0.000 0.000 0.524 35 A N -1.048 121.765 122.820 -0.012 0.000 2.508 35 A HA 0.550 4.869 4.320 -0.001 0.000 0.257 35 A C 1.456 179.032 177.584 -0.014 0.000 1.226 35 A CA 0.376 52.403 52.037 -0.017 0.000 0.947 35 A CB -0.330 18.655 19.000 -0.025 0.000 1.079 35 A HN 0.531 8.681 8.150 -0.000 0.000 0.531 36 G N 0.491 109.307 108.800 0.026 0.000 2.225 36 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.267 36 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.267 36 G C 0.469 175.325 174.900 -0.072 0.000 1.024 36 G CA 0.726 45.817 45.100 -0.016 0.000 0.784 36 G HN 0.665 8.955 8.290 -0.000 0.000 0.507 37 E N -0.386 119.816 120.200 0.004 0.000 2.338 37 E HA -0.128 4.221 4.350 -0.001 0.000 0.197 37 E C 1.996 178.470 176.600 -0.209 0.000 1.007 37 E CA 1.028 57.380 56.400 -0.080 0.000 0.849 37 E CB -0.173 29.484 29.700 -0.072 0.000 0.774 37 E HN 0.933 9.293 8.360 -0.000 0.000 0.506 38 H N -0.557 118.284 119.070 -0.381 0.000 2.548 38 H HA 0.129 4.684 4.556 -0.001 0.000 0.268 38 H C 1.339 176.577 175.328 -0.149 0.000 0.975 38 H CA 0.339 56.045 56.048 -0.569 0.000 1.195 38 H CB 0.062 29.584 29.762 -0.400 0.000 1.397 38 H HN 0.072 8.352 8.280 -0.000 0.000 0.572 39 M N 1.123 120.350 119.600 -0.623 0.000 2.383 39 M HA 0.197 4.676 4.480 -0.001 0.000 0.247 39 M C 0.138 176.321 176.300 -0.194 0.000 1.117 39 M CA -0.094 54.925 55.300 -0.468 0.000 0.995 39 M CB 0.033 32.271 32.600 -0.603 0.000 1.480 39 M HN 0.054 8.344 8.290 -0.000 0.000 0.485 40 K N 1.906 122.244 120.400 -0.104 0.000 2.382 40 K HA 0.045 4.364 4.320 -0.001 0.000 0.275 40 K C -1.321 175.283 176.600 0.006 0.000 1.009 40 K CA -1.087 55.181 56.287 -0.032 0.000 0.970 40 K CB 0.608 33.112 32.500 0.007 0.000 0.934 40 K HN -0.051 8.199 8.250 -0.000 0.000 0.479 41 P HA -0.205 4.215 4.420 -0.000 0.000 0.216 41 P C 0.261 177.560 177.300 -0.001 0.000 1.150 41 P CA 1.542 64.635 63.100 -0.011 0.000 0.843 41 P CB 0.329 32.021 31.700 -0.014 0.000 0.787 42 E N -0.802 119.412 120.200 0.023 0.000 2.077 42 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 42 E C 1.851 178.454 176.600 0.005 0.000 0.989 42 E CA 0.886 57.301 56.400 0.025 0.000 0.800 42 E CB -1.125 28.611 29.700 0.059 0.000 0.746 42 E HN 0.220 8.580 8.360 -0.000 0.000 0.452 43 F N 0.652 120.530 119.950 -0.120 0.000 2.146 43 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 43 F C 1.705 177.384 175.800 -0.202 0.000 1.096 43 F CA 1.031 58.906 58.000 -0.208 0.000 1.275 43 F CB -0.029 38.845 39.000 -0.210 0.000 1.008 43 F HN -0.046 8.254 8.300 -0.000 0.000 0.480 44 L N -0.059 121.114 121.223 -0.084 0.000 2.191 44 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 44 L C 2.242 178.985 176.870 -0.213 0.000 1.103 44 L CA 0.922 55.673 54.840 -0.148 0.000 0.769 44 L CB -0.622 41.408 42.059 -0.049 0.000 0.908 44 L HN 0.022 8.252 8.230 -0.000 0.000 0.438 45 K N 0.115 120.413 120.400 -0.171 0.000 2.217 45 K HA -0.014 4.305 4.320 -0.001 0.000 0.202 45 K C 1.909 178.399 176.600 -0.184 0.000 1.051 45 K CA 1.192 57.399 56.287 -0.133 0.000 0.952 45 K CB -0.226 32.228 32.500 -0.076 0.000 0.736 45 K HN 0.351 8.601 8.250 -0.000 0.000 0.453 46 I N 0.096 120.471 120.570 -0.325 0.000 2.400 46 I HA -0.100 4.070 4.170 -0.001 0.000 0.248 46 I C 0.605 176.442 176.117 -0.466 0.000 1.109 46 I CA 0.489 61.569 61.300 -0.367 0.000 1.425 46 I CB 0.106 37.796 38.000 -0.516 0.000 1.094 46 I HN 0.142 8.352 8.210 -0.000 0.000 0.425 47 N N 1.138 119.366 118.700 -0.787 0.000 2.607 47 N HA 0.169 4.909 4.740 -0.001 0.000 0.271 47 N C -2.151 172.868 175.510 -0.819 0.000 1.142 47 N CA -1.320 51.069 53.050 -1.101 0.000 0.810 47 N CB 1.620 39.291 38.487 -1.360 0.000 1.306 47 N HN -0.185 8.195 8.380 -0.000 0.000 0.536 48 P HA -0.195 4.225 4.420 -0.000 0.000 0.221 48 P C 0.796 177.878 177.300 -0.363 0.000 1.145 48 P CA 1.129 64.047 63.100 -0.303 0.000 0.795 48 P CB 0.365 31.980 31.700 -0.141 0.000 0.775 49 Q N 0.017 119.445 119.800 -0.620 0.000 2.444 49 Q HA -0.074 4.265 4.340 -0.001 0.000 0.206 49 Q C -0.087 175.394 176.000 -0.865 0.000 0.948 49 Q CA 0.071 55.480 55.803 -0.657 0.000 0.946 49 Q CB -0.959 27.494 28.738 -0.475 0.000 1.027 49 Q HN 0.419 8.689 8.270 -0.000 0.000 0.513 50 H N -2.591 116.327 119.070 -0.254 0.000 2.415 50 H HA -0.209 4.347 4.556 -0.001 0.000 0.323 50 H C -1.224 174.207 175.328 0.171 0.000 1.035 50 H CA 0.443 56.540 56.048 0.082 0.000 1.098 50 H CB -2.984 26.834 29.762 0.094 0.000 1.575 50 H HN 0.303 8.583 8.280 -0.000 0.000 0.387 51 C N 0.343 119.713 119.300 0.116 0.000 2.994 51 C HA 0.899 5.358 4.460 -0.001 0.000 0.304 51 C C 0.585 175.652 174.990 0.129 0.000 1.273 51 C CA -0.938 58.134 59.018 0.090 0.000 1.537 51 C CB 1.364 29.103 27.740 -0.000 0.000 2.001 51 C HN 0.963 9.193 8.230 -0.000 0.000 0.471 52 I N -0.482 120.137 120.570 0.081 0.000 2.693 52 I HA 0.807 4.976 4.170 -0.001 0.000 0.303 52 I C -2.441 173.731 176.117 0.092 0.000 1.025 52 I CA -2.165 59.189 61.300 0.090 0.000 1.086 52 I CB 1.863 39.866 38.000 0.004 0.000 1.268 52 I HN 0.574 8.784 8.210 -0.000 0.000 0.440 53 P HA 0.262 4.682 4.420 -0.000 0.000 0.274 53 P C -0.745 176.687 177.300 0.219 0.000 1.231 53 P CA 0.010 63.167 63.100 0.095 0.000 0.790 53 P CB 1.308 33.126 31.700 0.197 0.000 0.951 54 T N 2.080 116.777 114.554 0.239 0.000 2.921 54 T HA 0.462 4.811 4.350 -0.001 0.000 0.297 54 T C -0.730 174.207 174.700 0.395 0.000 1.013 54 T CA -0.353 61.931 62.100 0.307 0.000 0.990 54 T CB 1.085 70.078 68.868 0.209 0.000 1.023 54 T HN 0.292 8.532 8.240 -0.000 0.000 0.447 55 L N 3.919 125.331 121.223 0.316 0.000 2.346 55 L HA 0.858 5.198 4.340 -0.001 0.000 0.274 55 L C -1.327 175.636 176.870 0.154 0.000 1.007 55 L CA -0.558 54.470 54.840 0.314 0.000 0.818 55 L CB 1.715 43.931 42.059 0.261 0.000 1.284 55 L HN 0.455 8.685 8.230 -0.000 0.000 0.424 56 V N 3.594 123.631 119.914 0.206 0.000 2.409 56 V HA 0.376 4.495 4.120 -0.001 0.000 0.290 56 V C -1.216 174.979 176.094 0.170 0.000 1.017 56 V CA -0.521 61.864 62.300 0.141 0.000 0.841 56 V CB 1.435 33.382 31.823 0.207 0.000 1.003 56 V HN 0.719 8.909 8.190 -0.000 0.000 0.426 57 D N 5.059 125.577 120.400 0.197 0.000 2.472 57 D HA 0.279 4.918 4.640 -0.001 0.000 0.234 57 D C 0.467 176.933 176.300 0.277 0.000 1.088 57 D CA -0.176 53.994 54.000 0.284 0.000 0.882 57 D CB 0.169 41.252 40.800 0.472 0.000 1.037 57 D HN 0.494 8.864 8.370 -0.000 0.000 0.520 58 N N 3.325 122.144 118.700 0.198 0.000 2.714 58 N HA -0.205 4.535 4.740 -0.001 0.000 0.253 58 N C 0.966 176.578 175.510 0.170 0.000 1.024 58 N CA 1.290 54.439 53.050 0.165 0.000 0.726 58 N CB -0.961 37.623 38.487 0.162 0.000 0.908 58 N HN 0.849 9.229 8.380 -0.000 0.000 0.542 59 G N -0.646 108.250 108.800 0.160 0.000 2.268 59 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.240 59 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.240 59 G C -0.088 174.929 174.900 0.195 0.000 1.010 59 G CA 0.312 45.502 45.100 0.149 0.000 0.618 59 G HN 0.504 8.794 8.290 -0.000 0.000 0.516 60 F N 3.142 123.125 119.950 0.055 0.000 2.413 60 F HA 0.731 5.258 4.527 -0.001 0.000 0.359 60 F C 0.412 176.221 175.800 0.015 0.000 1.122 60 F CA -1.112 56.898 58.000 0.016 0.000 1.160 60 F CB 0.519 39.515 39.000 -0.007 0.000 1.146 60 F HN 0.506 8.806 8.300 -0.000 0.000 0.514 61 A N 6.964 129.552 122.820 -0.387 0.000 2.309 61 A HA 0.687 5.007 4.320 -0.001 0.000 0.298 61 A C -1.604 175.562 177.584 -0.696 0.000 1.165 61 A CA -0.561 51.256 52.037 -0.367 0.000 0.821 61 A CB 0.800 19.751 19.000 -0.082 0.000 1.102 61 A HN 0.859 9.009 8.150 -0.000 0.000 0.500 62 L N 2.580 123.525 121.223 -0.464 0.000 2.482 62 L HA 0.841 5.181 4.340 -0.001 0.000 0.263 62 L C -1.101 175.776 176.870 0.011 0.000 0.957 62 L CA -0.244 54.312 54.840 -0.472 0.000 0.836 62 L CB 1.512 43.120 42.059 -0.751 0.000 1.324 62 L HN 0.945 9.175 8.230 -0.000 0.000 0.406 63 W N 2.673 123.883 121.300 -0.150 0.000 3.205 63 W HA 0.877 5.537 4.660 -0.001 0.000 0.336 63 W C -0.963 175.546 176.519 -0.017 0.000 1.171 63 W CA -0.767 56.548 57.345 -0.051 0.000 1.035 63 W CB 0.754 30.185 29.460 -0.049 0.000 1.500 63 W HN 0.606 8.786 8.180 -0.000 0.000 0.602 64 E N 0.497 120.856 120.200 0.266 0.000 7.334 64 E HA -0.186 4.164 4.350 -0.001 0.000 0.208 64 E C 1.166 177.825 176.600 0.098 0.000 0.948 64 E CA 0.743 57.224 56.400 0.136 0.000 1.626 64 E CB -1.077 28.631 29.700 0.013 0.000 0.908 64 E HN 0.777 9.137 8.360 -0.000 0.000 0.271 65 S N 3.078 118.848 115.700 0.117 0.000 2.381 65 S HA -0.302 4.167 4.470 -0.001 0.000 0.230 65 S C 1.579 176.212 174.600 0.055 0.000 1.052 65 S CA 1.719 59.984 58.200 0.110 0.000 1.068 65 S CB -0.116 63.137 63.200 0.089 0.000 0.918 65 S HN 0.576 8.886 8.310 -0.000 0.000 0.448 66 R N 1.522 122.028 120.500 0.011 0.000 2.115 66 R HA 0.215 4.554 4.340 -0.001 0.000 0.226 66 R C 2.751 179.016 176.300 -0.058 0.000 1.100 66 R CA 1.032 57.108 56.100 -0.039 0.000 0.980 66 R CB -0.660 29.592 30.300 -0.080 0.000 0.875 66 R HN 0.599 8.869 8.270 -0.000 0.000 0.445 67 A N 1.194 123.993 122.820 -0.034 0.000 1.929 67 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 67 A C 2.099 179.696 177.584 0.022 0.000 1.176 67 A CA 0.959 52.976 52.037 -0.033 0.000 0.628 67 A CB -0.322 18.640 19.000 -0.064 0.000 0.816 67 A HN 0.148 8.298 8.150 -0.000 0.000 0.444 68 I N -0.663 119.937 120.570 0.050 0.000 2.252 68 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 68 I C 2.430 178.621 176.117 0.125 0.000 1.102 68 I CA 0.988 62.364 61.300 0.127 0.000 1.385 68 I CB -0.463 37.630 38.000 0.154 0.000 1.064 68 I HN 0.364 8.574 8.210 -0.000 0.000 0.414 69 C N 0.647 119.968 119.300 0.035 0.000 2.429 69 C HA -0.168 4.292 4.460 -0.001 0.000 0.277 69 C C 3.173 178.098 174.990 -0.109 0.000 1.262 69 C CA 1.770 60.773 59.018 -0.026 0.000 1.733 69 C CB -1.326 26.387 27.740 -0.045 0.000 2.010 69 C HN 0.628 8.858 8.230 -0.000 0.000 0.483 70 T N -1.337 113.105 114.554 -0.186 0.000 2.821 70 T HA -0.244 4.105 4.350 -0.001 0.000 0.267 70 T C 1.688 176.284 174.700 -0.173 0.000 1.046 70 T CA 1.698 63.548 62.100 -0.417 0.000 1.139 70 T CB -0.736 67.856 68.868 -0.459 0.000 0.871 70 T HN 0.582 8.822 8.240 -0.000 0.000 0.454 71 Y N 2.273 122.513 120.300 -0.101 0.000 2.145 71 Y HA 0.060 4.609 4.550 -0.001 0.000 0.286 71 Y C 2.070 177.995 175.900 0.041 0.000 1.145 71 Y CA 0.991 59.093 58.100 0.003 0.000 1.148 71 Y CB -0.568 37.950 38.460 0.097 0.000 0.981 71 Y HN 0.168 8.448 8.280 -0.000 0.000 0.507 72 L N -0.283 120.928 121.223 -0.019 0.000 2.083 72 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 72 L C 2.762 179.610 176.870 -0.037 0.000 1.083 72 L CA 1.079 55.910 54.840 -0.015 0.000 0.752 72 L CB -0.959 41.129 42.059 0.048 0.000 0.899 72 L HN 0.358 8.588 8.230 -0.000 0.000 0.433 73 A N -0.094 122.680 122.820 -0.077 0.000 1.873 73 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 73 A C 2.187 179.749 177.584 -0.037 0.000 1.186 73 A CA 1.367 53.376 52.037 -0.047 0.000 0.616 73 A CB -0.335 18.619 19.000 -0.076 0.000 0.823 73 A HN 0.411 8.561 8.150 -0.000 0.000 0.442 74 E N -0.653 119.503 120.200 -0.072 0.000 2.072 74 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 74 E C 2.060 178.554 176.600 -0.177 0.000 0.985 74 E CA 1.367 57.738 56.400 -0.049 0.000 0.801 74 E CB -0.082 29.619 29.700 0.001 0.000 0.750 74 E HN 0.645 9.005 8.360 -0.000 0.000 0.452 75 K N -0.258 119.918 120.400 -0.373 0.000 2.166 75 K HA -0.056 4.264 4.320 -0.001 0.000 0.201 75 K C 1.101 177.289 176.600 -0.686 0.000 1.052 75 K CA 0.822 56.738 56.287 -0.619 0.000 0.969 75 K CB 0.248 32.124 32.500 -1.040 0.000 0.761 75 K HN 0.069 8.319 8.250 -0.000 0.000 0.459 76 Y N -0.458 119.727 120.300 -0.191 0.000 2.430 76 Y HA 0.323 4.873 4.550 -0.001 0.000 0.248 76 Y C 0.940 176.790 175.900 -0.084 0.000 1.108 76 Y CA -0.291 57.734 58.100 -0.124 0.000 1.264 76 Y CB 0.721 39.104 38.460 -0.128 0.000 1.172 76 Y HN -0.017 8.263 8.280 -0.000 0.000 0.520 77 G N 0.160 108.978 108.800 0.031 0.000 2.444 77 G HA2 0.361 4.321 3.960 -0.001 0.000 0.268 77 G HA3 0.361 4.321 3.960 -0.001 0.000 0.268 77 G C 0.383 175.287 174.900 0.006 0.000 1.203 77 G CA -0.244 44.871 45.100 0.024 0.000 0.835 77 G HN 0.052 8.342 8.290 -0.000 0.000 0.543 78 K N -0.478 119.927 120.400 0.008 0.000 2.435 78 K HA 0.137 4.457 4.320 -0.001 0.000 0.199 78 K C 0.292 176.891 176.600 -0.001 0.000 1.153 78 K CA -0.190 56.097 56.287 -0.000 0.000 0.974 78 K CB 0.625 33.125 32.500 -0.000 0.000 0.997 78 K HN 0.487 8.737 8.250 -0.000 0.000 0.547 79 D N 0.971 121.373 120.400 0.003 0.000 2.374 79 D HA -0.021 4.619 4.640 -0.001 0.000 0.240 79 D C 0.437 176.738 176.300 0.002 0.000 1.229 79 D CA 0.083 54.082 54.000 -0.002 0.000 0.895 79 D CB 0.993 41.790 40.800 -0.005 0.000 1.046 79 D HN 0.099 8.469 8.370 -0.000 0.000 0.498 80 D N 3.267 123.663 120.400 -0.007 0.000 2.228 80 D HA -0.199 4.441 4.640 -0.001 0.000 0.203 80 D C 1.456 177.747 176.300 -0.015 0.000 0.988 80 D CA 1.305 55.298 54.000 -0.011 0.000 0.864 80 D CB 0.373 41.157 40.800 -0.026 0.000 0.928 80 D HN 0.357 8.727 8.370 -0.000 0.000 0.469 81 K N -0.192 120.194 120.400 -0.022 0.000 2.063 81 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 81 K C 2.230 178.819 176.600 -0.018 0.000 1.048 81 K CA 0.771 57.035 56.287 -0.039 0.000 0.928 81 K CB -0.212 32.251 32.500 -0.061 0.000 0.713 81 K HN 0.292 8.542 8.250 -0.000 0.000 0.442 82 L N -0.607 120.624 121.223 0.014 0.000 2.127 82 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 82 L C 0.454 177.421 176.870 0.162 0.000 1.089 82 L CA 0.885 55.759 54.840 0.056 0.000 0.757 82 L CB 0.177 42.266 42.059 0.051 0.000 0.899 82 L HN 0.223 8.453 8.230 -0.000 0.000 0.434 83 Y N 0.447 120.731 120.300 -0.027 0.000 2.477 83 Y HA 0.269 4.819 4.550 -0.001 0.000 0.332 83 Y C -2.424 173.461 175.900 -0.025 0.000 1.151 83 Y CA -3.118 54.969 58.100 -0.022 0.000 1.349 83 Y CB 0.441 38.892 38.460 -0.016 0.000 1.108 83 Y HN -0.129 8.151 8.280 -0.000 0.000 0.567 84 P HA -0.006 4.414 4.420 -0.000 0.000 0.263 84 P C 0.018 177.161 177.300 -0.261 0.000 1.175 84 P CA 0.377 63.370 63.100 -0.180 0.000 0.761 84 P CB 1.386 33.001 31.700 -0.142 0.000 0.794 85 K N 1.011 121.317 120.400 -0.158 0.000 2.228 85 K HA -0.072 4.248 4.320 -0.001 0.000 0.202 85 K C 0.629 177.152 176.600 -0.127 0.000 1.051 85 K CA 0.542 56.745 56.287 -0.140 0.000 0.960 85 K CB -0.231 32.222 32.500 -0.079 0.000 0.743 85 K HN 0.546 8.796 8.250 -0.000 0.000 0.458 86 D N 1.276 121.610 120.400 -0.110 0.000 2.472 86 D HA -0.027 4.613 4.640 -0.001 0.000 0.248 86 D C -1.826 174.412 176.300 -0.103 0.000 1.174 86 D CA -1.358 52.589 54.000 -0.088 0.000 0.883 86 D CB 1.132 41.889 40.800 -0.071 0.000 1.149 86 D HN -0.163 8.207 8.370 -0.000 0.000 0.488 87 P HA -0.235 4.185 4.420 -0.000 0.000 0.216 87 P C 1.147 178.404 177.300 -0.072 0.000 1.157 87 P CA 1.369 64.424 63.100 -0.075 0.000 0.880 87 P CB 0.075 31.745 31.700 -0.051 0.000 0.791 88 Q N 0.102 119.865 119.800 -0.061 0.000 2.020 88 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 88 Q C 2.021 177.980 176.000 -0.068 0.000 0.982 88 Q CA 1.859 57.628 55.803 -0.056 0.000 0.838 88 Q CB -0.308 28.403 28.738 -0.045 0.000 0.899 88 Q HN 0.115 8.385 8.270 -0.000 0.000 0.423 89 K N 0.090 120.445 120.400 -0.074 0.000 2.057 89 K HA -0.189 4.131 4.320 -0.001 0.000 0.207 89 K C 2.312 178.844 176.600 -0.112 0.000 1.049 89 K CA 1.422 57.662 56.287 -0.080 0.000 0.931 89 K CB -0.235 32.220 32.500 -0.075 0.000 0.714 89 K HN 0.192 8.442 8.250 -0.000 0.000 0.440 90 R N 0.842 121.244 120.500 -0.164 0.000 2.115 90 R HA -0.096 4.243 4.340 -0.001 0.000 0.230 90 R C 2.124 178.350 176.300 -0.124 0.000 1.111 90 R CA 1.189 57.140 56.100 -0.249 0.000 0.976 90 R CB -0.120 29.956 30.300 -0.373 0.000 0.870 90 R HN 0.174 8.444 8.270 -0.000 0.000 0.445 91 A N 0.287 123.059 122.820 -0.079 0.000 1.898 91 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 91 A C 2.193 179.758 177.584 -0.031 0.000 1.181 91 A CA 1.462 53.481 52.037 -0.031 0.000 0.620 91 A CB -0.408 18.572 19.000 -0.033 0.000 0.819 91 A HN 0.212 8.362 8.150 -0.000 0.000 0.442 92 V N -0.338 119.537 119.914 -0.066 0.000 2.343 92 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 92 V C 2.552 178.605 176.094 -0.069 0.000 1.051 92 V CA 1.897 64.138 62.300 -0.098 0.000 1.036 92 V CB -0.853 30.898 31.823 -0.121 0.000 0.654 92 V HN 0.363 8.553 8.190 -0.000 0.000 0.451 93 V N 0.764 120.660 119.914 -0.031 0.000 2.295 93 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 93 V C 2.367 178.494 176.094 0.055 0.000 1.049 93 V CA 2.224 64.541 62.300 0.029 0.000 1.024 93 V CB -0.863 31.007 31.823 0.079 0.000 0.648 93 V HN 0.564 8.754 8.190 -0.000 0.000 0.447 94 N N -0.089 118.653 118.700 0.069 0.000 2.166 94 N HA -0.187 4.552 4.740 -0.001 0.000 0.186 94 N C 1.917 177.479 175.510 0.088 0.000 1.019 94 N CA 1.307 54.391 53.050 0.058 0.000 0.856 94 N CB -0.452 38.118 38.487 0.138 0.000 0.993 94 N HN 0.527 8.907 8.380 -0.000 0.000 0.426 95 Q N 1.088 120.961 119.800 0.121 0.000 2.084 95 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 95 Q C 1.567 177.647 176.000 0.133 0.000 0.978 95 Q CA 1.335 57.232 55.803 0.157 0.000 0.844 95 Q CB 0.044 28.776 28.738 -0.011 0.000 0.898 95 Q HN 0.074 8.345 8.270 -0.000 0.000 0.426 96 R N 0.172 120.691 120.500 0.031 0.000 2.115 96 R HA 0.036 4.375 4.340 -0.001 0.000 0.230 96 R C 2.344 178.749 176.300 0.174 0.000 1.111 96 R CA 0.771 56.922 56.100 0.085 0.000 0.976 96 R CB -0.456 29.843 30.300 -0.001 0.000 0.870 96 R HN 0.306 8.576 8.270 -0.000 0.000 0.445 97 L N -1.351 119.900 121.223 0.048 0.000 2.056 97 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 97 L C 1.827 178.672 176.870 -0.041 0.000 1.078 97 L CA 1.446 56.258 54.840 -0.046 0.000 0.749 97 L CB -0.505 41.430 42.059 -0.206 0.000 0.901 97 L HN 0.229 8.459 8.230 -0.000 0.000 0.433 98 Y N -1.284 119.091 120.300 0.125 0.000 2.242 98 Y HA -0.297 4.253 4.550 -0.001 0.000 0.291 98 Y C 2.450 178.438 175.900 0.147 0.000 1.137 98 Y CA 1.366 59.533 58.100 0.111 0.000 1.181 98 Y CB -0.384 38.129 38.460 0.089 0.000 0.989 98 Y HN 0.057 8.337 8.280 -0.000 0.000 0.527 99 F N 1.422 121.491 119.950 0.197 0.000 2.069 99 F HA -0.286 4.241 4.527 -0.001 0.000 0.298 99 F C 2.149 178.040 175.800 0.152 0.000 1.113 99 F CA 2.116 60.219 58.000 0.172 0.000 1.214 99 F CB -0.703 38.420 39.000 0.205 0.000 0.978 99 F HN 0.090 8.390 8.300 -0.000 0.000 0.474 100 D N -0.137 120.354 120.400 0.152 0.000 2.116 100 D HA -0.298 4.342 4.640 -0.001 0.000 0.193 100 D C 2.386 178.701 176.300 0.024 0.000 0.998 100 D CA 2.151 56.174 54.000 0.039 0.000 0.836 100 D CB -0.299 40.574 40.800 0.121 0.000 0.951 100 D HN 0.463 8.833 8.370 -0.000 0.000 0.449 101 M N -0.811 118.829 119.600 0.067 0.000 2.098 101 M HA 0.022 4.502 4.480 -0.001 0.000 0.262 101 M C 2.053 178.408 176.300 0.091 0.000 1.072 101 M CA 2.061 57.418 55.300 0.095 0.000 1.133 101 M CB -0.160 32.504 32.600 0.107 0.000 1.344 101 M HN 0.126 8.416 8.290 -0.000 0.000 0.414 102 G N -1.473 107.373 108.800 0.077 0.000 2.712 102 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.212 102 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.212 102 G C 0.998 175.887 174.900 -0.020 0.000 1.142 102 G CA 1.033 46.165 45.100 0.053 0.000 0.789 102 G HN 0.488 8.778 8.290 -0.000 0.000 0.535 103 T N -0.157 114.303 114.554 -0.158 0.000 3.272 103 T HA 0.116 4.466 4.350 -0.001 0.000 0.247 103 T C 1.931 176.451 174.700 -0.300 0.000 0.990 103 T CA 0.084 62.033 62.100 -0.252 0.000 1.213 103 T CB -0.284 68.342 68.868 -0.404 0.000 1.124 103 T HN 0.024 8.264 8.240 -0.000 0.000 0.401 104 L N 0.624 121.517 121.223 -0.549 0.000 1.976 104 L HA 0.042 4.381 4.340 -0.001 0.000 0.209 104 L C 2.180 179.078 176.870 0.047 0.000 1.071 104 L CA 1.917 56.591 54.840 -0.276 0.000 0.746 104 L CB -0.649 41.217 42.059 -0.322 0.000 0.890 104 L HN 0.329 8.559 8.230 -0.000 0.000 0.432 105 Y N -0.742 119.543 120.300 -0.026 0.000 2.286 105 Y HA -0.202 4.348 4.550 -0.001 0.000 0.293 105 Y C 2.709 178.643 175.900 0.058 0.000 1.124 105 Y CA 1.664 59.794 58.100 0.051 0.000 1.178 105 Y CB -0.099 38.367 38.460 0.009 0.000 1.010 105 Y HN 0.379 8.659 8.280 -0.000 0.000 0.536 106 Q N 0.797 120.639 119.800 0.069 0.000 2.061 106 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 106 Q C 2.103 178.050 176.000 -0.089 0.000 0.984 106 Q CA 2.131 57.937 55.803 0.004 0.000 0.846 106 Q CB -0.196 28.557 28.738 0.025 0.000 0.902 106 Q HN 0.404 8.674 8.270 -0.000 0.000 0.421 107 R N -1.118 119.340 120.500 -0.069 0.000 2.148 107 R HA -0.043 4.297 4.340 -0.001 0.000 0.223 107 R C 2.138 178.361 176.300 -0.128 0.000 1.088 107 R CA 0.930 56.983 56.100 -0.078 0.000 0.985 107 R CB -0.376 29.896 30.300 -0.046 0.000 0.880 107 R HN 0.322 8.592 8.270 -0.000 0.000 0.451 108 F N 1.660 121.404 119.950 -0.343 0.000 2.075 108 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 108 F C 2.280 177.829 175.800 -0.417 0.000 1.113 108 F CA 1.490 59.194 58.000 -0.494 0.000 1.218 108 F CB -0.348 38.116 39.000 -0.893 0.000 0.984 108 F HN -0.050 8.250 8.300 -0.000 0.000 0.472 109 A N 0.176 122.624 122.820 -0.621 0.000 1.902 109 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 109 A C 1.941 179.162 177.584 -0.605 0.000 1.181 109 A CA 1.948 53.371 52.037 -1.024 0.000 0.623 109 A CB -1.092 17.294 19.000 -1.023 0.000 0.818 109 A HN 0.483 8.633 8.150 -0.000 0.000 0.443 110 D N -1.899 118.309 120.400 -0.319 0.000 2.182 110 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 110 D C 1.584 177.816 176.300 -0.112 0.000 0.986 110 D CA 1.530 55.440 54.000 -0.150 0.000 0.847 110 D CB -0.275 40.476 40.800 -0.081 0.000 0.942 110 D HN 0.645 9.015 8.370 -0.000 0.000 0.467 111 Y N -0.520 119.576 120.300 -0.340 0.000 2.262 111 Y HA -0.067 4.482 4.550 -0.001 0.000 0.295 111 Y C 1.813 177.448 175.900 -0.442 0.000 1.121 111 Y CA 1.114 58.970 58.100 -0.407 0.000 1.144 111 Y CB -0.359 37.767 38.460 -0.557 0.000 1.043 111 Y HN -0.070 8.210 8.280 -0.000 0.000 0.528 112 Y N -2.178 117.850 120.300 -0.453 0.000 2.347 112 Y HA -0.150 4.400 4.550 -0.001 0.000 0.294 112 Y C 2.079 177.902 175.900 -0.129 0.000 1.117 112 Y CA 0.834 58.692 58.100 -0.403 0.000 1.184 112 Y CB -0.489 37.690 38.460 -0.467 0.000 1.047 112 Y HN 0.028 8.308 8.280 -0.000 0.000 0.546 113 Y N 0.620 120.868 120.300 -0.087 0.000 2.114 113 Y HA -0.190 4.360 4.550 -0.001 0.000 0.282 113 Y C -0.320 175.609 175.900 0.048 0.000 1.165 113 Y CA 0.517 58.659 58.100 0.070 0.000 1.148 113 Y CB -2.442 36.107 38.460 0.148 0.000 0.972 113 Y HN 0.135 8.415 8.280 -0.000 0.000 0.504 114 P HA -0.175 4.245 4.420 -0.000 0.000 0.219 114 P C 1.003 178.279 177.300 -0.041 0.000 1.146 114 P CA 1.751 64.875 63.100 0.039 0.000 0.808 114 P CB -0.051 31.641 31.700 -0.014 0.000 0.779 115 Q N -0.735 118.996 119.800 -0.114 0.000 2.137 115 Q HA 0.004 4.343 4.340 -0.001 0.000 0.198 115 Q C 2.443 178.338 176.000 -0.176 0.000 0.960 115 Q CA 0.902 56.621 55.803 -0.140 0.000 0.847 115 Q CB -0.291 28.345 28.738 -0.169 0.000 0.915 115 Q HN 0.297 8.567 8.270 -0.000 0.000 0.448 116 I N -0.448 119.953 120.570 -0.281 0.000 2.162 116 I HA -0.204 3.965 4.170 -0.001 0.000 0.238 116 I C 1.597 177.357 176.117 -0.596 0.000 1.076 116 I CA 1.325 62.275 61.300 -0.584 0.000 1.353 116 I CB -0.107 37.263 38.000 -1.050 0.000 1.063 116 I HN 0.104 8.314 8.210 -0.000 0.000 0.408 117 F N 0.320 120.160 119.950 -0.182 0.000 2.473 117 F HA 0.142 4.668 4.527 -0.001 0.000 0.294 117 F C 2.256 177.999 175.800 -0.094 0.000 1.103 117 F CA 0.707 58.620 58.000 -0.146 0.000 1.442 117 F CB -0.272 38.623 39.000 -0.174 0.000 1.097 117 F HN -0.044 8.256 8.300 -0.000 0.000 0.547 118 A N -0.912 121.950 122.820 0.071 0.000 2.343 118 A HA 0.269 4.589 4.320 -0.001 0.000 0.223 118 A C 1.182 178.759 177.584 -0.012 0.000 1.214 118 A CA -0.042 52.014 52.037 0.032 0.000 0.900 118 A CB -0.091 18.930 19.000 0.036 0.000 0.942 118 A HN 0.122 8.272 8.150 -0.000 0.000 0.507 119 K N -0.544 119.829 120.400 -0.045 0.000 3.209 119 K HA -0.141 4.178 4.320 -0.001 0.000 0.289 119 K C -0.160 176.414 176.600 -0.043 0.000 1.191 119 K CA 0.744 56.999 56.287 -0.054 0.000 0.851 119 K CB -1.593 30.883 32.500 -0.041 0.000 1.242 119 K HN 0.574 8.824 8.250 -0.000 0.000 0.480 120 Q N 0.208 119.982 119.800 -0.045 0.000 2.340 120 Q HA 0.250 4.589 4.340 -0.001 0.000 0.249 120 Q C -2.091 173.874 176.000 -0.058 0.000 0.957 120 Q CA -1.700 54.078 55.803 -0.041 0.000 0.882 120 Q CB 0.557 29.273 28.738 -0.036 0.000 1.235 120 Q HN 0.047 8.317 8.270 -0.000 0.000 0.439 121 P HA 0.013 4.433 4.420 -0.000 0.000 0.269 121 P C -1.040 176.222 177.300 -0.062 0.000 1.215 121 P CA -0.015 63.061 63.100 -0.039 0.000 0.780 121 P CB 0.463 32.153 31.700 -0.017 0.000 0.898 122 A N 2.686 125.467 122.820 -0.064 0.000 2.566 122 A HA -0.016 4.304 4.320 -0.001 0.000 0.245 122 A C 0.623 178.225 177.584 0.031 0.000 1.056 122 A CA 0.175 52.161 52.037 -0.085 0.000 0.757 122 A CB -0.647 18.367 19.000 0.023 0.000 0.979 122 A HN 0.588 8.738 8.150 -0.000 0.000 0.508 123 N N 2.679 121.420 118.700 0.070 0.000 2.420 123 N HA 0.303 5.042 4.740 -0.001 0.000 0.249 123 N C 1.075 176.685 175.510 0.166 0.000 1.033 123 N CA 0.384 53.497 53.050 0.105 0.000 0.944 123 N CB 1.335 39.863 38.487 0.069 0.000 1.113 123 N HN 0.617 8.997 8.380 -0.000 0.000 0.502 124 A N 4.029 126.899 122.820 0.083 0.000 1.908 124 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 124 A C 1.897 179.482 177.584 0.002 0.000 1.181 124 A CA 1.491 53.551 52.037 0.038 0.000 0.627 124 A CB -0.491 18.521 19.000 0.021 0.000 0.818 124 A HN 0.882 9.032 8.150 -0.000 0.000 0.445 125 E N -0.191 120.016 120.200 0.012 0.000 2.058 125 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 125 E C 1.521 178.110 176.600 -0.018 0.000 0.997 125 E CA 1.480 57.878 56.400 -0.003 0.000 0.801 125 E CB -0.161 29.544 29.700 0.007 0.000 0.746 125 E HN 0.572 8.932 8.360 -0.000 0.000 0.450 126 N N 0.658 119.364 118.700 0.011 0.000 2.354 126 N HA -0.128 4.612 4.740 -0.001 0.000 0.179 126 N C 1.541 176.953 175.510 -0.164 0.000 1.021 126 N CA 0.661 53.708 53.050 -0.004 0.000 0.887 126 N CB -0.160 38.382 38.487 0.091 0.000 0.974 126 N HN 0.350 8.730 8.380 -0.000 0.000 0.437 127 E N 1.308 121.326 120.200 -0.304 0.000 2.077 127 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 127 E C 1.806 178.205 176.600 -0.336 0.000 0.989 127 E CA 0.986 56.937 56.400 -0.747 0.000 0.800 127 E CB 0.114 29.452 29.700 -0.603 0.000 0.746 127 E HN 0.221 8.581 8.360 -0.000 0.000 0.452 128 K N 0.757 121.053 120.400 -0.174 0.000 2.057 128 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 128 K C 2.059 178.604 176.600 -0.092 0.000 1.049 128 K CA 1.477 57.706 56.287 -0.097 0.000 0.931 128 K CB 0.057 32.519 32.500 -0.063 0.000 0.714 128 K HN -0.032 8.218 8.250 -0.000 0.000 0.440 129 K N 0.455 120.800 120.400 -0.091 0.000 2.057 129 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 129 K C 2.208 178.755 176.600 -0.087 0.000 1.049 129 K CA 1.872 58.117 56.287 -0.070 0.000 0.931 129 K CB -0.152 32.322 32.500 -0.043 0.000 0.714 129 K HN 0.250 8.500 8.250 -0.000 0.000 0.440 130 M N 1.310 120.837 119.600 -0.121 0.000 2.086 130 M HA -0.235 4.245 4.480 -0.001 0.000 0.261 130 M C 1.715 177.971 176.300 -0.074 0.000 1.067 130 M CA 1.753 56.991 55.300 -0.104 0.000 1.116 130 M CB 0.031 32.517 32.600 -0.190 0.000 1.348 130 M HN -0.030 8.260 8.290 -0.000 0.000 0.407 131 K N 0.230 120.624 120.400 -0.010 0.000 2.032 131 K HA -0.191 4.128 4.320 -0.001 0.000 0.209 131 K C 1.493 178.060 176.600 -0.055 0.000 1.048 131 K CA 1.835 58.189 56.287 0.112 0.000 0.927 131 K CB -0.374 32.219 32.500 0.155 0.000 0.712 131 K HN 0.434 8.684 8.250 -0.000 0.000 0.441 132 D N 0.567 120.878 120.400 -0.149 0.000 2.182 132 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 132 D C 1.784 177.753 176.300 -0.551 0.000 0.986 132 D CA 1.216 54.995 54.000 -0.369 0.000 0.847 132 D CB -0.141 40.447 40.800 -0.353 0.000 0.942 132 D HN 0.243 8.613 8.370 -0.000 0.000 0.467 133 A N 0.594 123.263 122.820 -0.252 0.000 1.873 133 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 133 A C 2.515 180.027 177.584 -0.119 0.000 1.186 133 A CA 1.119 53.119 52.037 -0.062 0.000 0.616 133 A CB -0.659 18.301 19.000 -0.066 0.000 0.823 133 A HN 0.152 8.302 8.150 -0.000 0.000 0.442 134 V N 0.590 120.290 119.914 -0.356 0.000 2.515 134 V HA -0.239 3.881 4.120 -0.001 0.000 0.250 134 V C 2.267 178.064 176.094 -0.495 0.000 1.058 134 V CA 2.345 64.291 62.300 -0.590 0.000 1.064 134 V CB -0.884 30.313 31.823 -1.042 0.000 0.675 134 V HN 0.719 8.909 8.190 -0.000 0.000 0.461 135 D N 0.004 120.190 120.400 -0.356 0.000 2.123 135 D HA -0.198 4.441 4.640 -0.001 0.000 0.196 135 D C 1.982 178.185 176.300 -0.162 0.000 0.992 135 D CA 1.640 55.575 54.000 -0.108 0.000 0.833 135 D CB -0.226 40.493 40.800 -0.135 0.000 0.954 135 D HN 0.453 8.823 8.370 -0.000 0.000 0.455 136 F N -0.308 119.499 119.950 -0.238 0.000 2.069 136 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 136 F C 2.281 177.453 175.800 -1.048 0.000 1.113 136 F CA 0.272 57.929 58.000 -0.572 0.000 1.214 136 F CB -0.357 38.388 39.000 -0.425 0.000 0.978 136 F HN 0.075 8.375 8.300 -0.000 0.000 0.474 137 L N 1.087 122.023 121.223 -0.478 0.000 2.042 137 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 137 L C 1.876 178.590 176.870 -0.260 0.000 1.076 137 L CA 1.953 56.517 54.840 -0.459 0.000 0.749 137 L CB -1.179 40.782 42.059 -0.163 0.000 0.893 137 L HN 0.067 8.297 8.230 -0.000 0.000 0.432 138 N N -1.545 117.074 118.700 -0.134 0.000 2.104 138 N HA -0.190 4.549 4.740 -0.001 0.000 0.190 138 N C 1.657 177.252 175.510 0.142 0.000 1.024 138 N CA 2.016 55.100 53.050 0.057 0.000 0.853 138 N CB -0.196 38.367 38.487 0.127 0.000 1.008 138 N HN 0.436 8.816 8.380 -0.000 0.000 0.424 139 T N -0.441 114.132 114.554 0.031 0.000 2.821 139 T HA -0.026 4.324 4.350 -0.001 0.000 0.267 139 T C 1.527 176.340 174.700 0.188 0.000 1.046 139 T CA 0.898 63.068 62.100 0.117 0.000 1.139 139 T CB -0.447 68.475 68.868 0.091 0.000 0.871 139 T HN 0.274 8.514 8.240 -0.000 0.000 0.454 140 F N 0.726 120.635 119.950 -0.067 0.000 2.216 140 F HA 0.000 4.527 4.527 -0.001 0.000 0.300 140 F C 1.918 177.631 175.800 -0.144 0.000 1.085 140 F CA 0.413 58.309 58.000 -0.174 0.000 1.326 140 F CB -0.283 38.532 39.000 -0.308 0.000 1.027 140 F HN 0.108 8.408 8.300 -0.000 0.000 0.497 141 L N -0.625 120.659 121.223 0.101 0.000 2.558 141 L HA -0.018 4.321 4.340 -0.001 0.000 0.225 141 L C 0.344 177.161 176.870 -0.087 0.000 1.128 141 L CA -0.110 54.742 54.840 0.021 0.000 0.868 141 L CB -0.382 41.692 42.059 0.024 0.000 1.006 141 L HN -0.089 8.141 8.230 -0.000 0.000 0.454 142 D N 0.368 120.742 120.400 -0.044 0.000 2.401 142 D HA 0.263 4.903 4.640 -0.001 0.000 0.254 142 D C 1.074 177.333 176.300 -0.068 0.000 1.192 142 D CA 1.365 55.229 54.000 -0.227 0.000 0.885 142 D CB 1.036 41.900 40.800 0.107 0.000 1.147 142 D HN 0.265 8.635 8.370 -0.000 0.000 0.478 143 G N 3.929 112.659 108.800 -0.117 0.000 4.365 143 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.214 143 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.214 143 G C 0.214 175.145 174.900 0.051 0.000 1.450 143 G CA 0.138 45.253 45.100 0.025 0.000 0.937 143 G HN 0.676 8.966 8.290 -0.000 0.000 0.625 144 H N 1.104 120.147 119.070 -0.045 0.000 2.690 144 H HA 0.564 5.120 4.556 -0.001 0.000 0.365 144 H C 1.330 176.655 175.328 -0.005 0.000 1.142 144 H CA 0.836 56.886 56.048 0.002 0.000 1.417 144 H CB 1.304 31.083 29.762 0.028 0.000 1.446 144 H HN 0.462 8.742 8.280 -0.000 0.000 0.599 145 K N 1.407 121.871 120.400 0.107 0.000 2.356 145 K HA 0.045 4.365 4.320 -0.001 0.000 0.195 145 K C -0.575 175.932 176.600 -0.155 0.000 1.037 145 K CA 0.516 56.775 56.287 -0.046 0.000 1.014 145 K CB 0.459 32.886 32.500 -0.122 0.000 0.815 145 K HN 0.454 8.704 8.250 -0.000 0.000 0.507 146 Y N -1.467 118.977 120.300 0.239 0.000 2.598 146 Y HA 0.148 4.697 4.550 -0.001 0.000 0.340 146 Y C 1.112 177.074 175.900 0.103 0.000 1.038 146 Y CA -1.113 57.154 58.100 0.278 0.000 1.100 146 Y CB 1.655 40.257 38.460 0.236 0.000 1.281 146 Y HN -0.406 7.874 8.280 -0.000 0.000 0.488 147 V N 0.398 120.393 119.914 0.136 0.000 2.568 147 V HA -0.245 3.874 4.120 -0.001 0.000 0.253 147 V C 1.350 177.422 176.094 -0.036 0.000 1.072 147 V CA 2.370 64.621 62.300 -0.081 0.000 1.084 147 V CB -0.852 30.865 31.823 -0.177 0.000 0.676 147 V HN 0.854 9.044 8.190 -0.000 0.000 0.469 148 A N -1.659 121.190 122.820 0.049 0.000 2.609 148 A HA 0.691 5.011 4.320 -0.001 0.000 0.286 148 A C 0.657 178.262 177.584 0.035 0.000 1.138 148 A CA 0.603 52.625 52.037 -0.025 0.000 0.960 148 A CB 0.349 19.341 19.000 -0.014 0.000 1.208 148 A HN 0.733 8.883 8.150 -0.000 0.000 0.541 149 G N -0.575 108.334 108.800 0.180 0.000 2.441 149 G HA2 0.222 4.181 3.960 -0.001 0.000 0.222 149 G HA3 0.222 4.181 3.960 -0.001 0.000 0.222 149 G C -1.319 173.826 174.900 0.407 0.000 1.254 149 G CA 0.149 45.452 45.100 0.338 0.000 0.959 149 G HN -0.064 8.226 8.290 -0.000 0.000 0.474 150 D N 0.451 120.987 120.400 0.226 0.000 2.462 150 D HA 0.412 5.051 4.640 -0.001 0.000 0.221 150 D C 0.342 176.694 176.300 0.086 0.000 1.173 150 D CA 0.703 54.835 54.000 0.219 0.000 0.831 150 D CB 1.265 42.098 40.800 0.055 0.000 1.001 150 D HN 0.381 8.751 8.370 -0.000 0.000 0.499 151 S N 0.492 116.044 115.700 -0.246 0.000 2.564 151 S HA 0.391 4.860 4.470 -0.001 0.000 0.274 151 S C -1.205 172.797 174.600 -0.997 0.000 1.124 151 S CA -0.767 57.027 58.200 -0.676 0.000 0.869 151 S CB 1.569 64.607 63.200 -0.270 0.000 1.105 151 S HN 0.051 8.361 8.310 -0.000 0.000 0.472 152 L N 4.665 125.227 121.223 -1.101 0.000 2.513 152 L HA 0.483 4.823 4.340 -0.001 0.000 0.272 152 L C 0.436 177.217 176.870 -0.148 0.000 1.187 152 L CA 1.098 55.654 54.840 -0.473 0.000 0.895 152 L CB 0.277 42.245 42.059 -0.152 0.000 1.147 152 L HN 0.882 9.112 8.230 -0.000 0.000 0.483 153 T N 1.571 116.128 114.554 0.006 0.000 2.888 153 T HA 0.400 4.750 4.350 -0.001 0.000 0.288 153 T C 1.336 176.101 174.700 0.109 0.000 1.063 153 T CA -0.180 61.958 62.100 0.062 0.000 1.010 153 T CB 0.676 69.593 68.868 0.082 0.000 1.214 153 T HN 0.611 8.851 8.240 -0.000 0.000 0.533 154 I N -0.916 119.718 120.570 0.106 0.000 2.850 154 I HA 0.169 4.339 4.170 -0.001 0.000 0.266 154 I C 2.287 178.463 176.117 0.098 0.000 1.257 154 I CA 1.006 62.351 61.300 0.074 0.000 1.465 154 I CB -0.750 37.247 38.000 -0.005 0.000 1.091 154 I HN 0.648 8.858 8.210 -0.000 0.000 0.467 155 A N 1.448 124.343 122.820 0.127 0.000 1.968 155 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 155 A C 2.018 179.719 177.584 0.195 0.000 1.169 155 A CA 1.609 53.723 52.037 0.129 0.000 0.638 155 A CB -0.510 18.555 19.000 0.108 0.000 0.812 155 A HN 0.482 8.632 8.150 -0.000 0.000 0.446 156 D N -0.316 120.246 120.400 0.270 0.000 2.149 156 D HA -0.086 4.553 4.640 -0.001 0.000 0.201 156 D C 1.737 178.287 176.300 0.415 0.000 0.972 156 D CA 0.877 55.162 54.000 0.475 0.000 0.835 156 D CB -0.065 41.071 40.800 0.559 0.000 0.966 156 D HN 0.256 8.626 8.370 -0.000 0.000 0.476 157 L N 0.734 122.105 121.223 0.247 0.000 2.017 157 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 157 L C 2.618 179.588 176.870 0.167 0.000 1.073 157 L CA 1.551 56.497 54.840 0.175 0.000 0.745 157 L CB -1.196 40.925 42.059 0.104 0.000 0.894 157 L HN 0.007 8.237 8.230 -0.000 0.000 0.432 158 T N -1.776 112.863 114.554 0.142 0.000 2.821 158 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 158 T C 1.905 176.693 174.700 0.147 0.000 1.046 158 T CA 1.203 63.368 62.100 0.108 0.000 1.139 158 T CB -0.031 68.876 68.868 0.066 0.000 0.871 158 T HN 0.075 8.315 8.240 -0.000 0.000 0.454 159 V N 1.718 121.759 119.914 0.212 0.000 2.515 159 V HA -0.035 4.085 4.120 -0.001 0.000 0.250 159 V C 2.447 178.774 176.094 0.388 0.000 1.058 159 V CA 1.334 63.773 62.300 0.231 0.000 1.064 159 V CB -0.565 31.333 31.823 0.125 0.000 0.675 159 V HN 0.429 8.619 8.190 -0.000 0.000 0.461 160 L N 1.161 122.676 121.223 0.486 0.000 2.027 160 L HA -0.026 4.314 4.340 -0.001 0.000 0.206 160 L C 2.477 179.489 176.870 0.237 0.000 1.074 160 L CA 2.359 57.445 54.840 0.410 0.000 0.745 160 L CB -1.040 41.161 42.059 0.236 0.000 0.898 160 L HN 0.199 8.429 8.230 -0.000 0.000 0.433 161 A N -1.404 121.515 122.820 0.164 0.000 1.908 161 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 161 A C 2.267 179.880 177.584 0.048 0.000 1.181 161 A CA 2.462 54.553 52.037 0.090 0.000 0.627 161 A CB -1.273 17.761 19.000 0.056 0.000 0.818 161 A HN 0.532 8.682 8.150 -0.000 0.000 0.445 162 T N -0.455 114.143 114.554 0.074 0.000 2.701 162 T HA -0.100 4.249 4.350 -0.001 0.000 0.263 162 T C 1.888 176.615 174.700 0.046 0.000 1.040 162 T CA 1.630 63.784 62.100 0.090 0.000 1.147 162 T CB -0.450 68.518 68.868 0.167 0.000 0.865 162 T HN 0.154 8.394 8.240 -0.000 0.000 0.426 163 V N 2.472 122.405 119.914 0.032 0.000 2.515 163 V HA -0.155 3.964 4.120 -0.001 0.000 0.250 163 V C 2.770 178.752 176.094 -0.188 0.000 1.058 163 V CA 1.874 64.096 62.300 -0.130 0.000 1.064 163 V CB -0.985 30.775 31.823 -0.106 0.000 0.675 163 V HN 0.652 8.842 8.190 -0.000 0.000 0.461 164 S N -0.425 115.266 115.700 -0.016 0.000 2.442 164 S HA -0.187 4.283 4.470 -0.001 0.000 0.236 164 S C 1.807 176.421 174.600 0.024 0.000 1.007 164 S CA 1.692 59.958 58.200 0.109 0.000 0.965 164 S CB -0.605 62.736 63.200 0.234 0.000 0.773 164 S HN 0.601 8.911 8.310 -0.000 0.000 0.504 165 T N 0.619 115.111 114.554 -0.103 0.000 2.896 165 T HA 0.100 4.449 4.350 -0.001 0.000 0.263 165 T C 1.318 175.869 174.700 -0.248 0.000 1.050 165 T CA 0.960 62.888 62.100 -0.287 0.000 1.140 165 T CB -0.481 68.026 68.868 -0.601 0.000 0.877 165 T HN 0.434 8.674 8.240 -0.000 0.000 0.457 166 Y N 1.882 121.934 120.300 -0.412 0.000 2.165 166 Y HA -0.159 4.391 4.550 -0.001 0.000 0.286 166 Y C 2.471 178.393 175.900 0.037 0.000 1.155 166 Y CA 1.277 59.296 58.100 -0.135 0.000 1.164 166 Y CB -0.456 37.875 38.460 -0.214 0.000 0.978 166 Y HN 0.184 8.464 8.280 -0.000 0.000 0.513 167 D N -0.312 120.170 120.400 0.136 0.000 2.087 167 D HA -0.186 4.453 4.640 -0.001 0.000 0.192 167 D C 2.262 178.619 176.300 0.094 0.000 0.993 167 D CA 1.992 56.072 54.000 0.133 0.000 0.828 167 D CB -0.440 40.442 40.800 0.136 0.000 0.968 167 D HN 0.182 8.552 8.370 -0.000 0.000 0.448 168 V N -0.995 118.964 119.914 0.075 0.000 2.594 168 V HA 0.015 4.135 4.120 -0.001 0.000 0.253 168 V C 2.111 178.062 176.094 -0.238 0.000 1.069 168 V CA 1.794 64.117 62.300 0.039 0.000 1.082 168 V CB -1.101 30.842 31.823 0.199 0.000 0.680 168 V HN 0.235 8.425 8.190 -0.000 0.000 0.469 169 A N 0.125 122.732 122.820 -0.354 0.000 2.206 169 A HA 0.420 4.739 4.320 -0.001 0.000 0.211 169 A C 2.129 179.378 177.584 -0.558 0.000 1.158 169 A CA 1.136 52.553 52.037 -1.033 0.000 0.761 169 A CB -0.884 17.630 19.000 -0.811 0.000 0.801 169 A HN 1.835 9.985 8.150 -0.000 0.000 0.473 170 G N -2.062 106.641 108.800 -0.162 0.000 2.141 170 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.231 170 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.231 170 G C 0.054 175.061 174.900 0.178 0.000 0.984 170 G CA 0.045 45.151 45.100 0.010 0.000 0.660 170 G HN 0.696 8.986 8.290 -0.000 0.000 0.525 171 F N 1.965 122.008 119.950 0.155 0.000 2.518 171 F HA 0.443 4.969 4.527 -0.001 0.000 0.359 171 F C 0.951 176.876 175.800 0.208 0.000 1.118 171 F CA -0.059 58.108 58.000 0.278 0.000 1.287 171 F CB 0.580 39.850 39.000 0.450 0.000 1.132 171 F HN 0.204 8.504 8.300 -0.000 0.000 0.587 172 E N 7.086 126.986 120.200 -0.499 0.000 1.814 172 E HA 0.067 4.416 4.350 -0.001 0.000 0.264 172 E C 0.875 177.415 176.600 -0.100 0.000 1.179 172 E CA -0.023 56.220 56.400 -0.261 0.000 0.972 172 E CB 0.207 29.739 29.700 -0.280 0.000 1.077 172 E HN 0.740 9.100 8.360 -0.000 0.000 0.417 173 L N 1.491 122.839 121.223 0.208 0.000 2.291 173 L HA -0.104 4.235 4.340 -0.001 0.000 0.214 173 L C 2.307 179.344 176.870 0.278 0.000 1.120 173 L CA 0.476 55.534 54.840 0.363 0.000 0.799 173 L CB -0.204 42.018 42.059 0.271 0.000 0.925 173 L HN 0.500 8.730 8.230 -0.000 0.000 0.446 174 A N 1.256 124.162 122.820 0.144 0.000 2.070 174 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 174 A C 2.113 179.696 177.584 -0.002 0.000 1.159 174 A CA 1.498 53.582 52.037 0.079 0.000 0.656 174 A CB -0.409 18.615 19.000 0.040 0.000 0.800 174 A HN 0.561 8.711 8.150 -0.000 0.000 0.453 175 K N -1.697 118.652 120.400 -0.086 0.000 2.505 175 K HA 0.057 4.376 4.320 -0.001 0.000 0.192 175 K C -0.927 175.317 176.600 -0.592 0.000 1.025 175 K CA 0.219 56.305 56.287 -0.335 0.000 1.086 175 K CB -0.205 32.024 32.500 -0.453 0.000 0.840 175 K HN 0.478 8.728 8.250 -0.000 0.000 0.514 176 Y N 0.291 120.592 120.300 0.000 0.000 2.662 176 Y HA 0.271 4.820 4.550 -0.001 0.000 0.358 176 Y C -2.042 173.858 175.900 0.000 0.000 1.041 176 Y CA -2.665 55.429 58.100 -0.010 0.000 1.184 176 Y CB 1.603 40.087 38.460 0.039 0.000 1.114 176 Y HN -0.042 8.238 8.280 -0.000 0.000 0.650 177 P HA -0.283 4.137 4.420 -0.000 0.000 0.218 177 P C 1.011 178.409 177.300 0.163 0.000 1.165 177 P CA 2.309 65.425 63.100 0.026 0.000 0.922 177 P CB 0.170 31.808 31.700 -0.104 0.000 0.794 178 H N -1.867 117.286 119.070 0.138 0.000 2.389 178 H HA -0.058 4.498 4.556 -0.001 0.000 0.299 178 H C 1.830 177.281 175.328 0.206 0.000 1.081 178 H CA 0.568 56.703 56.048 0.145 0.000 1.345 178 H CB -0.447 29.378 29.762 0.105 0.000 1.393 178 H HN -0.046 8.234 8.280 -0.000 0.000 0.520 179 V N 1.072 121.175 119.914 0.315 0.000 2.307 179 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 179 V C 2.714 179.065 176.094 0.428 0.000 1.045 179 V CA 1.565 64.050 62.300 0.308 0.000 1.024 179 V CB -0.891 31.031 31.823 0.165 0.000 0.651 179 V HN 0.531 8.721 8.190 -0.000 0.000 0.449 180 A N 0.219 123.241 122.820 0.337 0.000 1.883 180 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 180 A C 2.429 180.194 177.584 0.302 0.000 1.186 180 A CA 2.435 54.669 52.037 0.328 0.000 0.624 180 A CB -0.909 18.233 19.000 0.236 0.000 0.822 180 A HN 0.585 8.735 8.150 -0.000 0.000 0.444 181 A N -1.563 121.413 122.820 0.259 0.000 1.902 181 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 181 A C 2.020 179.711 177.584 0.179 0.000 1.181 181 A CA 1.616 53.764 52.037 0.185 0.000 0.623 181 A CB -0.973 18.132 19.000 0.176 0.000 0.818 181 A HN 0.937 9.087 8.150 -0.000 0.000 0.443 182 W N -0.596 120.760 121.300 0.093 0.000 2.358 182 W HA -0.244 4.416 4.660 -0.001 0.000 0.303 182 W C 1.939 178.524 176.519 0.110 0.000 1.208 182 W CA 1.999 59.377 57.345 0.054 0.000 1.274 182 W CB -0.543 28.958 29.460 0.069 0.000 1.138 182 W HN 0.447 8.627 8.180 -0.000 0.000 0.515 183 Y N 1.831 122.098 120.300 -0.054 0.000 2.145 183 Y HA -0.240 4.309 4.550 -0.001 0.000 0.286 183 Y C 2.567 178.288 175.900 -0.298 0.000 1.145 183 Y CA 2.548 60.453 58.100 -0.325 0.000 1.148 183 Y CB -1.043 37.467 38.460 0.085 0.000 0.981 183 Y HN 0.075 8.355 8.280 -0.000 0.000 0.507 184 E N 0.670 120.734 120.200 -0.226 0.000 2.077 184 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 184 E C 2.273 178.703 176.600 -0.283 0.000 0.989 184 E CA 1.385 57.611 56.400 -0.289 0.000 0.800 184 E CB -0.121 29.512 29.700 -0.110 0.000 0.746 184 E HN 0.545 8.905 8.360 -0.000 0.000 0.452 185 R N -0.495 119.851 120.500 -0.257 0.000 2.062 185 R HA -0.045 4.295 4.340 -0.001 0.000 0.231 185 R C 2.517 178.635 176.300 -0.304 0.000 1.136 185 R CA 1.819 57.774 56.100 -0.242 0.000 0.948 185 R CB -0.554 29.614 30.300 -0.220 0.000 0.845 185 R HN 0.129 8.399 8.270 -0.000 0.000 0.430 186 T N 0.885 115.133 114.554 -0.509 0.000 2.867 186 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 186 T C 1.703 176.205 174.700 -0.330 0.000 1.057 186 T CA 0.823 62.644 62.100 -0.465 0.000 1.136 186 T CB -0.138 68.210 68.868 -0.867 0.000 0.874 186 T HN 0.238 8.478 8.240 -0.000 0.000 0.466 187 R N 1.260 121.520 120.500 -0.401 0.000 2.293 187 R HA -0.017 4.322 4.340 -0.001 0.000 0.219 187 R C 1.319 177.499 176.300 -0.200 0.000 1.091 187 R CA 1.018 56.930 56.100 -0.313 0.000 1.004 187 R CB 0.069 30.068 30.300 -0.501 0.000 0.865 187 R HN 0.320 8.590 8.270 -0.000 0.000 0.469 188 K N -0.977 119.315 120.400 -0.181 0.000 2.402 188 K HA 0.094 4.413 4.320 -0.001 0.000 0.204 188 K C 0.375 176.930 176.600 -0.075 0.000 1.056 188 K CA 0.130 56.348 56.287 -0.115 0.000 1.069 188 K CB 0.946 33.379 32.500 -0.111 0.000 0.888 188 K HN 0.142 8.392 8.250 -0.000 0.000 0.546 189 E N 0.534 120.691 120.200 -0.073 0.000 2.601 189 E HA 0.177 4.526 4.350 -0.001 0.000 0.219 189 E C -0.458 176.141 176.600 -0.002 0.000 0.964 189 E CA -0.273 56.114 56.400 -0.023 0.000 1.050 189 E CB 1.302 31.006 29.700 0.007 0.000 1.068 189 E HN 0.147 8.507 8.360 -0.000 0.000 0.496 190 A N 2.716 125.524 122.820 -0.021 0.000 2.362 190 A HA 0.379 4.699 4.320 -0.001 0.000 0.276 190 A C -2.411 175.173 177.584 0.000 0.000 1.153 190 A CA -1.373 50.666 52.037 0.003 0.000 0.813 190 A CB -0.027 18.973 19.000 0.000 0.000 1.081 190 A HN -0.136 8.014 8.150 -0.000 0.000 0.507 191 P HA 0.259 4.679 4.420 -0.000 0.000 0.264 191 P C 0.991 178.287 177.300 -0.006 0.000 1.193 191 P CA 1.808 64.905 63.100 -0.004 0.000 0.763 191 P CB 0.697 32.394 31.700 -0.006 0.000 0.810 192 G N 2.838 111.631 108.800 -0.010 0.000 2.143 192 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.248 192 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.248 192 G C 1.154 176.057 174.900 0.004 0.000 0.991 192 G CA 0.324 45.419 45.100 -0.008 0.000 0.689 192 G HN 0.655 8.945 8.290 -0.000 0.000 0.522 193 A N 0.005 122.824 122.820 -0.001 0.000 1.948 193 A HA 0.224 4.544 4.320 -0.001 0.000 0.220 193 A C 2.851 180.440 177.584 0.008 0.000 1.177 193 A CA 2.756 54.791 52.037 -0.002 0.000 0.636 193 A CB -0.814 18.171 19.000 -0.025 0.000 0.815 193 A HN 1.904 10.054 8.150 -0.000 0.000 0.449 194 A N -0.210 122.615 122.820 0.007 0.000 1.933 194 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 194 A C 2.094 179.699 177.584 0.035 0.000 1.175 194 A CA 1.499 53.546 52.037 0.016 0.000 0.628 194 A CB -0.575 18.431 19.000 0.011 0.000 0.814 194 A HN 0.533 8.683 8.150 -0.000 0.000 0.444 195 I N -0.208 120.384 120.570 0.037 0.000 2.252 195 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 195 I C 2.516 178.684 176.117 0.084 0.000 1.102 195 I CA 1.483 62.819 61.300 0.060 0.000 1.385 195 I CB -0.464 37.565 38.000 0.049 0.000 1.064 195 I HN 0.526 8.736 8.210 -0.000 0.000 0.414 196 N N 0.830 119.574 118.700 0.073 0.000 2.120 196 N HA -0.209 4.531 4.740 -0.001 0.000 0.188 196 N C 1.726 177.291 175.510 0.093 0.000 1.024 196 N CA 1.200 54.303 53.050 0.089 0.000 0.852 196 N CB 0.157 38.689 38.487 0.075 0.000 1.003 196 N HN 0.270 8.650 8.380 -0.000 0.000 0.424 197 E N 0.815 121.057 120.200 0.070 0.000 2.110 197 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 197 E C 1.885 178.535 176.600 0.084 0.000 0.988 197 E CA 0.877 57.320 56.400 0.070 0.000 0.804 197 E CB -0.385 29.340 29.700 0.041 0.000 0.745 197 E HN 0.476 8.836 8.360 -0.000 0.000 0.458 198 A N 1.022 123.891 122.820 0.081 0.000 1.929 198 A HA -0.009 4.310 4.320 -0.001 0.000 0.216 198 A C 2.472 180.123 177.584 0.112 0.000 1.176 198 A CA 1.669 53.758 52.037 0.086 0.000 0.628 198 A CB -0.899 18.148 19.000 0.080 0.000 0.816 198 A HN 0.324 8.474 8.150 -0.000 0.000 0.444 199 G N 1.059 109.939 108.800 0.133 0.000 2.418 199 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 199 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 199 G C 1.522 176.536 174.900 0.190 0.000 1.158 199 G CA 1.183 46.381 45.100 0.164 0.000 0.771 199 G HN 0.782 9.072 8.290 -0.000 0.000 0.545 200 I N -1.547 119.132 120.570 0.182 0.000 2.454 200 I HA -0.056 4.114 4.170 -0.001 0.000 0.254 200 I C 2.077 178.347 176.117 0.256 0.000 1.156 200 I CA 1.352 62.793 61.300 0.234 0.000 1.433 200 I CB -0.292 37.820 38.000 0.188 0.000 1.082 200 I HN -0.037 8.173 8.210 -0.000 0.000 0.432 201 E N 1.542 121.847 120.200 0.176 0.000 2.204 201 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 201 E C 2.063 178.741 176.600 0.129 0.000 0.990 201 E CA 0.958 57.442 56.400 0.140 0.000 0.821 201 E CB -0.157 29.600 29.700 0.095 0.000 0.750 201 E HN 0.640 9.000 8.360 -0.000 0.000 0.477 202 E N -0.195 120.091 120.200 0.143 0.000 2.112 202 E HA -0.086 4.263 4.350 -0.001 0.000 0.190 202 E C 1.878 178.544 176.600 0.110 0.000 0.979 202 E CA 0.252 56.703 56.400 0.085 0.000 0.814 202 E CB -0.404 29.345 29.700 0.081 0.000 0.762 202 E HN 0.241 8.601 8.360 -0.000 0.000 0.460 203 F N 2.184 122.227 119.950 0.156 0.000 2.234 203 F HA -0.081 4.446 4.527 -0.001 0.000 0.299 203 F C 2.453 178.472 175.800 0.365 0.000 1.087 203 F CA 1.136 59.337 58.000 0.335 0.000 1.340 203 F CB 0.056 39.281 39.000 0.376 0.000 1.031 203 F HN -0.126 8.174 8.300 -0.000 0.000 0.500 204 R N 1.066 121.791 120.500 0.375 0.000 2.170 204 R HA -0.179 4.160 4.340 -0.001 0.000 0.242 204 R C 1.527 177.923 176.300 0.159 0.000 1.145 204 R CA 1.416 57.712 56.100 0.326 0.000 0.984 204 R CB -0.309 30.122 30.300 0.219 0.000 0.869 204 R HN 0.249 8.519 8.270 -0.000 0.000 0.455 205 K N -0.274 120.099 120.400 -0.045 0.000 2.643 205 K HA -0.121 4.198 4.320 -0.001 0.000 0.193 205 K C 0.372 176.740 176.600 -0.387 0.000 1.027 205 K CA 0.467 56.635 56.287 -0.197 0.000 1.033 205 K CB 0.124 32.471 32.500 -0.257 0.000 0.827 205 K HN 0.295 8.545 8.250 -0.000 0.000 0.500 206 Y N -1.099 118.999 120.300 -0.338 0.000 2.481 206 Y HA 0.173 4.723 4.550 -0.001 0.000 0.258 206 Y C 0.455 175.898 175.900 -0.762 0.000 1.103 206 Y CA -0.188 57.498 58.100 -0.690 0.000 1.287 206 Y CB 0.476 38.238 38.460 -1.163 0.000 1.108 206 Y HN -0.134 8.146 8.280 -0.000 0.000 0.529 207 F N 0.000 119.908 119.950 -0.071 0.000 2.286 207 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 207 F CA 0.000 57.971 58.000 -0.049 0.000 1.383 207 F CB 0.000 38.994 39.000 -0.011 0.000 1.145 207 F HN 0.000 8.300 8.300 -0.000 0.000 0.574