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 2gzm_1_C DATA FIRST_RESID 2 DATA SEQUENCE KLNRAIGVID SGVGGLTVAK ELIRQLPKER IIYLGDTARC PYGPRSREEV DATA SEQUENCE RQFTWEMTEH LLDLNIKMLV IACNTATAVV LEEMQKQLPI PVVGVIHPGS DATA SEQUENCE RTALKVTNTY HVGIIGTIGT VKSGAYEEAL KSINNRVMVE SLACPPFVEL DATA SEQUENCE VESGNFESEM AYEVVRETLQ PLKNTDIDTL ILGCTHYPIL GPVIKQVMGD DATA SEQUENCE KVQLISSGDE TAREVSTILY HSKMLNEGEE QSDHLFLTTG KIGLFKEIAS DATA SEQUENCE KWFGQPIENV KHIHLE 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 2 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2 K C 0.000 176.600 176.600 -0.001 0.000 0.988 2 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 2 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 3 L N 1.284 122.506 121.223 -0.001 0.000 2.362 3 L HA -0.021 4.332 4.340 0.021 0.000 0.219 3 L C 1.216 178.090 176.870 0.007 0.000 1.134 3 L CA 1.135 55.976 54.840 0.002 0.000 0.807 3 L CB -0.265 41.795 42.059 0.001 0.000 0.927 3 L HN 0.256 8.486 8.230 -0.000 0.000 0.447 4 N N 0.035 118.737 118.700 0.004 0.000 2.398 4 N HA 0.010 4.763 4.740 0.021 0.000 0.188 4 N C 0.345 175.858 175.510 0.005 0.000 1.122 4 N CA -0.056 52.996 53.050 0.004 0.000 0.866 4 N CB 0.265 38.752 38.487 -0.000 0.000 0.970 4 N HN 0.136 8.516 8.380 -0.000 0.000 0.462 5 R N 0.201 120.704 120.500 0.006 0.000 2.594 5 R HA 0.364 4.717 4.340 0.021 0.000 0.272 5 R C 0.172 176.479 176.300 0.012 0.000 1.074 5 R CA -0.201 55.903 56.100 0.007 0.000 1.105 5 R CB 0.650 30.954 30.300 0.007 0.000 1.008 5 R HN 0.088 8.358 8.270 -0.000 0.000 0.472 6 A N 2.971 125.798 122.820 0.012 0.000 2.296 6 A HA 0.356 4.689 4.320 0.021 0.000 0.264 6 A C 0.053 177.647 177.584 0.016 0.000 1.097 6 A CA -0.447 51.600 52.037 0.016 0.000 0.811 6 A CB 0.352 19.359 19.000 0.011 0.000 1.072 6 A HN 0.649 8.799 8.150 -0.000 0.000 0.495 7 I N 1.119 121.699 120.570 0.018 0.000 2.321 7 I HA 0.370 4.553 4.170 0.021 0.000 0.291 7 I C 0.944 177.066 176.117 0.009 0.000 0.998 7 I CA -0.242 61.067 61.300 0.015 0.000 1.227 7 I CB 1.436 39.447 38.000 0.018 0.000 1.368 7 I HN 0.697 8.907 8.210 -0.000 0.000 0.466 8 G N 5.728 114.533 108.800 0.008 0.000 2.390 8 G HA2 0.505 4.478 3.960 0.021 0.000 0.270 8 G HA3 0.505 4.478 3.960 0.021 0.000 0.270 8 G C -0.664 174.234 174.900 -0.002 0.000 1.211 8 G CA -0.196 44.906 45.100 0.003 0.000 0.842 8 G HN 0.372 8.662 8.290 -0.000 0.000 0.519 9 V N 4.158 124.065 119.914 -0.012 0.000 2.483 9 V HA 0.443 4.576 4.120 0.021 0.000 0.297 9 V C 0.176 176.166 176.094 -0.173 0.000 1.027 9 V CA -0.644 61.647 62.300 -0.014 0.000 0.855 9 V CB 1.200 33.108 31.823 0.141 0.000 0.995 9 V HN 0.789 8.979 8.190 -0.000 0.000 0.424 10 I N 1.032 121.512 120.570 -0.150 0.000 2.603 10 I HA 0.970 5.153 4.170 0.021 0.000 0.300 10 I C -0.854 175.150 176.117 -0.188 0.000 1.017 10 I CA -0.300 60.875 61.300 -0.209 0.000 1.098 10 I CB 2.136 40.087 38.000 -0.080 0.000 1.279 10 I HN 0.607 8.817 8.210 -0.000 0.000 0.437 11 D N 2.071 122.325 120.400 -0.243 0.000 2.643 11 D HA 0.318 4.971 4.640 0.021 0.000 0.283 11 D C 0.537 176.716 176.300 -0.203 0.000 1.242 11 D CA -0.080 53.834 54.000 -0.143 0.000 0.863 11 D CB 2.222 43.007 40.800 -0.025 0.000 1.382 11 D HN 0.614 8.984 8.370 -0.000 0.000 0.444 12 S N -0.382 115.120 115.700 -0.330 0.000 2.489 12 S HA 0.393 4.876 4.470 0.021 0.000 0.228 12 S C 1.112 175.581 174.600 -0.220 0.000 0.995 12 S CA 1.013 58.798 58.200 -0.692 0.000 0.934 12 S CB 0.159 62.749 63.200 -1.016 0.000 0.771 12 S HN 0.650 8.960 8.310 -0.000 0.000 0.522 13 G N 0.070 108.869 108.800 -0.001 0.000 2.947 13 G HA2 0.302 4.275 3.960 0.021 0.000 0.115 13 G HA3 0.302 4.275 3.960 0.021 0.000 0.115 13 G C 0.231 175.265 174.900 0.223 0.000 1.214 13 G CA 0.170 45.345 45.100 0.125 0.000 1.324 13 G HN 0.379 8.669 8.290 -0.000 0.000 0.645 14 V N 1.709 121.644 119.914 0.035 0.000 3.174 14 V HA 0.293 4.426 4.120 0.021 0.000 0.254 14 V C 2.585 178.647 176.094 -0.054 0.000 1.120 14 V CA 2.386 64.513 62.300 -0.289 0.000 1.114 14 V CB -0.163 31.150 31.823 -0.850 0.000 0.756 14 V HN 0.914 9.104 8.190 -0.000 0.000 0.467 15 G N 0.511 109.397 108.800 0.143 0.000 2.469 15 G HA2 -0.244 3.729 3.960 0.021 0.000 0.220 15 G HA3 -0.244 3.729 3.960 0.021 0.000 0.220 15 G C 1.538 176.556 174.900 0.198 0.000 1.136 15 G CA 0.861 45.989 45.100 0.046 0.000 0.759 15 G HN 0.693 8.983 8.290 -0.000 0.000 0.562 16 G N 0.553 109.535 108.800 0.302 0.000 2.527 16 G HA2 -0.097 3.876 3.960 0.021 0.000 0.219 16 G HA3 -0.097 3.876 3.960 0.021 0.000 0.219 16 G C 1.620 176.724 174.900 0.340 0.000 1.117 16 G CA 0.418 45.755 45.100 0.395 0.000 0.759 16 G HN 0.464 8.754 8.290 -0.000 0.000 0.556 17 L N 1.183 122.496 121.223 0.150 0.000 2.265 17 L HA -0.085 4.268 4.340 0.021 0.000 0.215 17 L C 3.192 180.107 176.870 0.074 0.000 1.117 17 L CA 1.497 56.313 54.840 -0.041 0.000 0.782 17 L CB -0.660 41.378 42.059 -0.035 0.000 0.914 17 L HN 0.404 8.634 8.230 -0.000 0.000 0.441 18 T N -4.041 110.614 114.554 0.169 0.000 2.962 18 T HA -0.070 4.293 4.350 0.021 0.000 0.270 18 T C 1.682 176.409 174.700 0.045 0.000 1.088 18 T CA 0.880 63.039 62.100 0.097 0.000 1.127 18 T CB -0.302 68.603 68.868 0.062 0.000 0.883 18 T HN 0.121 8.361 8.240 -0.000 0.000 0.493 19 V N 1.571 121.534 119.914 0.082 0.000 2.426 19 V HA 0.188 4.320 4.120 0.021 0.000 0.242 19 V C 3.214 179.343 176.094 0.058 0.000 1.036 19 V CA 1.045 63.391 62.300 0.077 0.000 1.044 19 V CB -1.251 30.644 31.823 0.119 0.000 0.688 19 V HN 0.596 8.786 8.190 -0.000 0.000 0.462 20 A N 0.365 123.235 122.820 0.083 0.000 1.883 20 A HA -0.301 4.032 4.320 0.021 0.000 0.217 20 A C 2.303 179.856 177.584 -0.050 0.000 1.186 20 A CA 2.444 54.507 52.037 0.043 0.000 0.624 20 A CB -0.554 18.477 19.000 0.051 0.000 0.822 20 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 21 K N -0.693 119.644 120.400 -0.104 0.000 2.103 21 K HA -0.192 4.141 4.320 0.021 0.000 0.207 21 K C 1.840 178.374 176.600 -0.110 0.000 1.048 21 K CA 1.600 57.784 56.287 -0.171 0.000 0.930 21 K CB -0.085 32.229 32.500 -0.310 0.000 0.716 21 K HN 0.397 8.647 8.250 -0.000 0.000 0.444 22 E N 0.677 120.837 120.200 -0.066 0.000 2.107 22 E HA -0.128 4.234 4.350 0.021 0.000 0.191 22 E C 2.083 178.664 176.600 -0.031 0.000 0.982 22 E CA 0.772 57.148 56.400 -0.040 0.000 0.809 22 E CB -0.053 29.637 29.700 -0.016 0.000 0.756 22 E HN 0.367 8.727 8.360 -0.000 0.000 0.459 23 L N 0.387 121.593 121.223 -0.028 0.000 2.056 23 L HA -0.141 4.212 4.340 0.021 0.000 0.207 23 L C 2.505 179.348 176.870 -0.045 0.000 1.078 23 L CA 0.860 55.685 54.840 -0.025 0.000 0.749 23 L CB -0.325 41.722 42.059 -0.020 0.000 0.901 23 L HN 0.089 8.319 8.230 -0.000 0.000 0.433 24 I N -0.667 119.849 120.570 -0.089 0.000 2.286 24 I HA -0.304 3.878 4.170 0.021 0.000 0.248 24 I C 2.835 178.933 176.117 -0.032 0.000 1.115 24 I CA 1.165 62.407 61.300 -0.098 0.000 1.392 24 I CB -0.280 37.615 38.000 -0.175 0.000 1.065 24 I HN 0.237 8.447 8.210 -0.000 0.000 0.418 25 R N 0.764 121.241 120.500 -0.039 0.000 2.066 25 R HA -0.167 4.186 4.340 0.021 0.000 0.232 25 R C 2.211 178.505 176.300 -0.009 0.000 1.131 25 R CA 1.511 57.597 56.100 -0.024 0.000 0.955 25 R CB -0.036 30.242 30.300 -0.036 0.000 0.851 25 R HN 0.414 8.684 8.270 -0.000 0.000 0.432 26 Q N -0.541 119.253 119.800 -0.009 0.000 2.331 26 Q HA 0.059 4.412 4.340 0.021 0.000 0.203 26 Q C 0.250 176.255 176.000 0.007 0.000 0.944 26 Q CA 0.564 56.366 55.803 -0.002 0.000 0.892 26 Q CB 0.571 29.308 28.738 -0.002 0.000 0.983 26 Q HN 0.284 8.554 8.270 -0.000 0.000 0.482 27 L N 1.865 123.095 121.223 0.011 0.000 2.594 27 L HA 0.225 4.578 4.340 0.021 0.000 0.245 27 L C -1.777 175.116 176.870 0.038 0.000 1.460 27 L CA -1.145 53.710 54.840 0.024 0.000 0.865 27 L CB 1.162 43.236 42.059 0.026 0.000 1.131 27 L HN -0.053 8.177 8.230 -0.000 0.000 0.506 28 P HA -0.197 4.223 4.420 -0.000 0.000 0.221 28 P C 0.809 178.156 177.300 0.077 0.000 1.145 28 P CA 1.305 64.445 63.100 0.066 0.000 0.795 28 P CB 0.299 32.026 31.700 0.046 0.000 0.775 29 K N -0.830 119.604 120.400 0.057 0.000 2.426 29 K HA 0.068 4.401 4.320 0.021 0.000 0.193 29 K C 0.743 177.378 176.600 0.059 0.000 1.028 29 K CA 0.224 56.540 56.287 0.049 0.000 1.047 29 K CB 0.166 32.688 32.500 0.036 0.000 0.821 29 K HN 0.231 8.481 8.250 -0.000 0.000 0.513 30 E N 1.488 121.734 120.200 0.077 0.000 2.283 30 E HA 0.149 4.512 4.350 0.021 0.000 0.271 30 E C -0.558 176.125 176.600 0.138 0.000 1.031 30 E CA -0.366 56.081 56.400 0.078 0.000 0.868 30 E CB 1.459 31.194 29.700 0.058 0.000 1.094 30 E HN 0.040 8.400 8.360 -0.000 0.000 0.401 31 R N 2.236 122.797 120.500 0.102 0.000 2.368 31 R HA 0.335 4.688 4.340 0.021 0.000 0.302 31 R C -0.555 175.817 176.300 0.121 0.000 1.002 31 R CA -0.539 55.640 56.100 0.132 0.000 0.929 31 R CB 0.535 30.860 30.300 0.042 0.000 1.073 31 R HN 0.324 8.594 8.270 -0.000 0.000 0.464 32 I N 5.902 126.589 120.570 0.195 0.000 2.474 32 I HA 0.378 4.561 4.170 0.021 0.000 0.294 32 I C -0.008 176.065 176.117 -0.074 0.000 1.005 32 I CA -0.910 60.392 61.300 0.003 0.000 1.113 32 I CB 1.783 39.669 38.000 -0.190 0.000 1.289 32 I HN 0.618 8.828 8.210 -0.000 0.000 0.436 33 I N 6.365 126.888 120.570 -0.079 0.000 2.448 33 I HA 0.223 4.406 4.170 0.021 0.000 0.281 33 I C -1.143 174.937 176.117 -0.061 0.000 1.027 33 I CA -0.746 60.493 61.300 -0.101 0.000 1.111 33 I CB 1.590 39.570 38.000 -0.034 0.000 1.236 33 I HN 0.450 8.660 8.210 -0.000 0.000 0.452 34 Y N 7.735 127.865 120.300 -0.283 0.000 2.320 34 Y HA 0.601 5.164 4.550 0.021 0.000 0.334 34 Y C -1.159 174.709 175.900 -0.053 0.000 1.055 34 Y CA -0.707 57.324 58.100 -0.117 0.000 1.143 34 Y CB 1.385 39.831 38.460 -0.024 0.000 1.193 34 Y HN 0.458 8.738 8.280 -0.000 0.000 0.477 35 L N 6.504 127.460 121.223 -0.446 0.000 2.372 35 L HA 0.748 5.101 4.340 0.021 0.000 0.274 35 L C -0.773 175.848 176.870 -0.416 0.000 0.988 35 L CA -0.486 54.170 54.840 -0.306 0.000 0.833 35 L CB 1.267 43.259 42.059 -0.111 0.000 1.236 35 L HN 0.751 8.981 8.230 -0.000 0.000 0.410 36 G N 2.376 111.082 108.800 -0.158 0.000 2.478 36 G HA2 0.353 4.326 3.960 0.021 0.000 0.317 36 G HA3 0.353 4.326 3.960 0.021 0.000 0.317 36 G C -0.760 174.173 174.900 0.055 0.000 1.259 36 G CA -0.410 44.694 45.100 0.005 0.000 0.933 36 G HN 0.611 8.901 8.290 -0.000 0.000 0.478 37 D N 2.157 122.573 120.400 0.028 0.000 2.994 37 D HA 0.118 4.771 4.640 0.021 0.000 0.240 37 D C 1.842 178.177 176.300 0.058 0.000 1.195 37 D CA -0.193 53.844 54.000 0.061 0.000 0.957 37 D CB 0.014 40.926 40.800 0.186 0.000 1.105 37 D HN 0.226 8.596 8.370 -0.000 0.000 0.477 38 T N -0.559 114.047 114.554 0.088 0.000 2.778 38 T HA -0.201 4.162 4.350 0.021 0.000 0.269 38 T C 1.950 176.696 174.700 0.078 0.000 1.050 38 T CA 1.285 63.447 62.100 0.104 0.000 1.137 38 T CB -0.083 68.886 68.868 0.168 0.000 0.860 38 T HN 0.403 8.643 8.240 -0.000 0.000 0.468 39 A N 1.501 124.350 122.820 0.049 0.000 2.019 39 A HA -0.061 4.271 4.320 0.021 0.000 0.219 39 A C 2.213 179.814 177.584 0.028 0.000 1.164 39 A CA 1.087 53.139 52.037 0.025 0.000 0.644 39 A CB -0.283 18.709 19.000 -0.013 0.000 0.805 39 A HN 0.455 8.605 8.150 -0.000 0.000 0.449 40 R N -1.965 118.566 120.500 0.051 0.000 2.509 40 R HA 0.179 4.532 4.340 0.021 0.000 0.300 40 R C -0.084 176.372 176.300 0.261 0.000 0.985 40 R CA -0.301 55.855 56.100 0.094 0.000 1.092 40 R CB -0.033 30.209 30.300 -0.097 0.000 1.237 40 R HN 0.440 8.710 8.270 -0.000 0.000 0.546 41 C N 3.174 122.586 119.300 0.187 0.000 2.662 41 C HA 0.294 4.767 4.460 0.021 0.000 0.420 41 C C -1.627 173.467 174.990 0.175 0.000 1.314 41 C CA -1.314 57.809 59.018 0.175 0.000 1.963 41 C CB 0.204 28.005 27.740 0.102 0.000 2.686 41 C HN 0.322 8.552 8.230 -0.000 0.000 0.609 42 P HA 0.271 4.691 4.420 -0.000 0.000 0.285 42 P C -0.661 176.871 177.300 0.386 0.000 1.269 42 P CA -0.223 63.002 63.100 0.208 0.000 0.844 42 P CB 0.810 32.582 31.700 0.120 0.000 1.094 43 Y N 0.103 120.472 120.300 0.114 0.000 2.503 43 Y HA 0.123 4.686 4.550 0.021 0.000 0.277 43 Y C 2.631 178.573 175.900 0.070 0.000 1.102 43 Y CA 0.822 58.995 58.100 0.122 0.000 1.261 43 Y CB -1.333 37.203 38.460 0.126 0.000 1.096 43 Y HN 0.495 8.775 8.280 -0.000 0.000 0.546 44 G N 2.079 111.009 108.800 0.216 0.000 2.624 44 G HA2 -0.285 3.688 3.960 0.021 0.000 0.221 44 G HA3 -0.285 3.688 3.960 0.021 0.000 0.221 44 G C -0.463 174.487 174.900 0.084 0.000 1.169 44 G CA 1.411 46.580 45.100 0.114 0.000 0.771 44 G HN 0.331 8.621 8.290 -0.000 0.000 0.598 45 P HA 0.132 4.552 4.420 -0.000 0.000 0.257 45 P C 0.635 177.960 177.300 0.042 0.000 1.241 45 P CA -0.137 62.995 63.100 0.054 0.000 0.816 45 P CB 0.343 32.075 31.700 0.054 0.000 1.150 46 R N 1.048 121.577 120.500 0.049 0.000 2.774 46 R HA 0.231 4.584 4.340 0.021 0.000 0.269 46 R C 0.980 177.252 176.300 -0.046 0.000 1.068 46 R CA -0.008 56.091 56.100 -0.002 0.000 1.180 46 R CB 0.152 30.430 30.300 -0.038 0.000 1.077 46 R HN 0.148 8.418 8.270 -0.000 0.000 0.513 47 S N 0.660 116.313 115.700 -0.079 0.000 2.579 47 S HA 0.049 4.532 4.470 0.021 0.000 0.275 47 S C 0.984 175.513 174.600 -0.118 0.000 1.345 47 S CA -0.509 57.642 58.200 -0.083 0.000 1.031 47 S CB 1.194 64.343 63.200 -0.086 0.000 0.892 47 S HN 0.572 8.882 8.310 -0.000 0.000 0.529 48 R N 0.610 121.061 120.500 -0.082 0.000 2.127 48 R HA -0.124 4.228 4.340 0.021 0.000 0.238 48 R C 2.035 178.263 176.300 -0.120 0.000 1.134 48 R CA 1.602 57.654 56.100 -0.081 0.000 0.975 48 R CB -0.338 29.937 30.300 -0.043 0.000 0.865 48 R HN 0.749 9.019 8.270 -0.000 0.000 0.447 49 E N 0.931 121.054 120.200 -0.129 0.000 2.106 49 E HA -0.151 4.212 4.350 0.021 0.000 0.192 49 E C 1.511 177.943 176.600 -0.279 0.000 0.984 49 E CA 1.316 57.627 56.400 -0.148 0.000 0.806 49 E CB 0.104 29.736 29.700 -0.113 0.000 0.750 49 E HN 0.302 8.662 8.360 -0.000 0.000 0.458 50 E N -0.677 119.284 120.200 -0.399 0.000 2.072 50 E HA -0.116 4.247 4.350 0.021 0.000 0.191 50 E C 2.061 178.039 176.600 -1.038 0.000 0.985 50 E CA 1.170 57.064 56.400 -0.843 0.000 0.801 50 E CB 0.103 29.341 29.700 -0.770 0.000 0.750 50 E HN 0.107 8.467 8.360 -0.000 0.000 0.452 51 V N 1.164 120.717 119.914 -0.602 0.000 2.343 51 V HA -0.269 3.864 4.120 0.021 0.000 0.247 51 V C 2.411 178.356 176.094 -0.249 0.000 1.051 51 V CA 1.794 63.812 62.300 -0.469 0.000 1.036 51 V CB -0.479 31.215 31.823 -0.215 0.000 0.654 51 V HN 0.208 8.398 8.190 -0.000 0.000 0.451 52 R N -0.392 120.011 120.500 -0.162 0.000 2.073 52 R HA -0.221 4.132 4.340 0.021 0.000 0.234 52 R C 2.501 178.859 176.300 0.098 0.000 1.134 52 R CA 2.081 58.188 56.100 0.011 0.000 0.952 52 R CB -0.313 30.020 30.300 0.054 0.000 0.850 52 R HN 0.614 8.884 8.270 -0.000 0.000 0.433 53 Q N -0.455 119.315 119.800 -0.050 0.000 2.030 53 Q HA -0.193 4.160 4.340 0.021 0.000 0.204 53 Q C 1.869 177.988 176.000 0.198 0.000 0.986 53 Q CA 1.784 57.609 55.803 0.038 0.000 0.843 53 Q CB -0.109 28.573 28.738 -0.092 0.000 0.904 53 Q HN 0.273 8.543 8.270 -0.000 0.000 0.420 54 F N 0.571 120.515 119.950 -0.010 0.000 2.171 54 F HA -0.131 4.409 4.527 0.021 0.000 0.300 54 F C 2.543 178.400 175.800 0.096 0.000 1.090 54 F CA 1.448 59.459 58.000 0.018 0.000 1.293 54 F CB -1.317 37.619 39.000 -0.107 0.000 1.013 54 F HN 0.106 8.406 8.300 -0.000 0.000 0.486 55 T N -1.440 113.267 114.554 0.256 0.000 2.821 55 T HA -0.221 4.142 4.350 0.021 0.000 0.267 55 T C 1.792 176.513 174.700 0.034 0.000 1.046 55 T CA 1.258 63.451 62.100 0.154 0.000 1.139 55 T CB -0.620 68.271 68.868 0.039 0.000 0.871 55 T HN 0.315 8.555 8.240 -0.000 0.000 0.454 56 W N 1.808 123.136 121.300 0.046 0.000 2.402 56 W HA -0.018 4.655 4.660 0.022 0.000 0.286 56 W C 2.381 178.882 176.519 -0.029 0.000 1.221 56 W CA 0.556 57.907 57.345 0.010 0.000 1.257 56 W CB -0.057 29.400 29.460 -0.004 0.000 1.120 56 W HN 0.370 8.550 8.180 -0.000 0.000 0.551 57 E N -0.400 119.895 120.200 0.159 0.000 2.106 57 E HA -0.237 4.126 4.350 0.021 0.000 0.192 57 E C 2.102 178.492 176.600 -0.350 0.000 0.984 57 E CA 1.372 57.696 56.400 -0.126 0.000 0.806 57 E CB -0.399 29.154 29.700 -0.244 0.000 0.750 57 E HN 0.359 8.719 8.360 -0.000 0.000 0.458 58 M N 0.208 119.703 119.600 -0.176 0.000 2.132 58 M HA -0.116 4.377 4.480 0.021 0.000 0.263 58 M C 2.372 178.739 176.300 0.112 0.000 1.065 58 M CA 1.261 56.599 55.300 0.063 0.000 1.122 58 M CB -0.271 32.450 32.600 0.202 0.000 1.365 58 M HN 0.061 8.351 8.290 -0.000 0.000 0.411 59 T N 0.299 114.885 114.554 0.052 0.000 2.684 59 T HA -0.132 4.231 4.350 0.021 0.000 0.267 59 T C 1.699 176.474 174.700 0.126 0.000 1.036 59 T CA 1.204 63.326 62.100 0.035 0.000 1.148 59 T CB -0.248 68.537 68.868 -0.140 0.000 0.863 59 T HN 0.335 8.575 8.240 -0.000 0.000 0.436 60 E N 0.600 120.908 120.200 0.180 0.000 2.077 60 E HA -0.167 4.196 4.350 0.021 0.000 0.193 60 E C 2.070 178.747 176.600 0.129 0.000 0.989 60 E CA 0.918 57.416 56.400 0.163 0.000 0.800 60 E CB -0.526 29.259 29.700 0.141 0.000 0.746 60 E HN 0.572 8.932 8.360 -0.000 0.000 0.452 61 H N 0.902 120.013 119.070 0.069 0.000 2.352 61 H HA -0.047 4.522 4.556 0.021 0.000 0.299 61 H C 2.137 177.530 175.328 0.108 0.000 1.097 61 H CA 1.131 57.245 56.048 0.111 0.000 1.311 61 H CB 0.006 29.894 29.762 0.210 0.000 1.377 61 H HN 0.111 8.391 8.280 -0.000 0.000 0.504 62 L N 0.300 121.679 121.223 0.259 0.000 2.240 62 L HA -0.100 4.253 4.340 0.021 0.000 0.211 62 L C 2.671 179.589 176.870 0.079 0.000 1.106 62 L CA 0.322 55.263 54.840 0.168 0.000 0.793 62 L CB -0.260 41.872 42.059 0.122 0.000 0.927 62 L HN 0.217 8.447 8.230 -0.000 0.000 0.446 63 L N -0.596 120.669 121.223 0.070 0.000 2.275 63 L HA -0.181 4.172 4.340 0.021 0.000 0.215 63 L C 1.986 178.870 176.870 0.023 0.000 1.119 63 L CA 0.795 55.663 54.840 0.048 0.000 0.790 63 L CB -0.457 41.643 42.059 0.068 0.000 0.919 63 L HN 0.283 8.513 8.230 -0.000 0.000 0.443 64 D N 0.279 120.678 120.400 -0.001 0.000 2.269 64 D HA -0.043 4.610 4.640 0.021 0.000 0.208 64 D C 1.840 178.122 176.300 -0.031 0.000 0.963 64 D CA 0.878 54.855 54.000 -0.038 0.000 0.864 64 D CB 0.313 41.046 40.800 -0.112 0.000 0.936 64 D HN 0.359 8.729 8.370 -0.000 0.000 0.505 65 L N 0.470 121.688 121.223 -0.009 0.000 2.629 65 L HA 0.073 4.426 4.340 0.021 0.000 0.230 65 L C 0.212 177.087 176.870 0.008 0.000 1.151 65 L CA -0.259 54.583 54.840 0.003 0.000 0.924 65 L CB -0.397 41.678 42.059 0.027 0.000 1.137 65 L HN -0.091 8.139 8.230 -0.000 0.000 0.457 66 N N 1.853 120.558 118.700 0.008 0.000 2.708 66 N HA -0.205 4.548 4.740 0.021 0.000 0.255 66 N C -0.173 175.344 175.510 0.011 0.000 1.046 66 N CA 0.367 53.422 53.050 0.009 0.000 0.715 66 N CB -1.001 37.488 38.487 0.004 0.000 0.895 66 N HN 0.560 8.940 8.380 -0.000 0.000 0.545 67 I N -1.995 118.585 120.570 0.016 0.000 2.662 67 I HA 0.242 4.424 4.170 0.021 0.000 0.291 67 I C 1.510 177.635 176.117 0.013 0.000 1.046 67 I CA -0.583 60.726 61.300 0.015 0.000 1.361 67 I CB 1.293 39.304 38.000 0.018 0.000 1.429 67 I HN 0.248 8.458 8.210 -0.000 0.000 0.558 68 K N 4.526 124.933 120.400 0.012 0.000 2.356 68 K HA 0.295 4.628 4.320 0.021 0.000 0.195 68 K C 0.304 176.910 176.600 0.011 0.000 1.037 68 K CA 0.274 56.568 56.287 0.011 0.000 1.014 68 K CB 0.488 32.995 32.500 0.010 0.000 0.815 68 K HN 0.824 9.074 8.250 -0.000 0.000 0.507 69 M N 0.933 120.539 119.600 0.011 0.000 2.465 69 M HA 0.328 4.820 4.480 0.021 0.000 0.284 69 M C -2.271 174.031 176.300 0.003 0.000 1.212 69 M CA -1.187 54.118 55.300 0.008 0.000 0.910 69 M CB 2.229 34.837 32.600 0.013 0.000 1.725 69 M HN 0.074 8.364 8.290 -0.000 0.000 0.477 70 L N 4.158 125.377 121.223 -0.007 0.000 2.322 70 L HA 0.758 5.111 4.340 0.021 0.000 0.281 70 L C -1.757 175.102 176.870 -0.019 0.000 1.014 70 L CA -0.415 54.414 54.840 -0.019 0.000 0.815 70 L CB 1.966 44.000 42.059 -0.042 0.000 1.247 70 L HN 0.542 8.772 8.230 -0.000 0.000 0.421 71 V N 6.753 126.660 119.914 -0.012 0.000 2.378 71 V HA 0.421 4.553 4.120 0.021 0.000 0.288 71 V C 0.092 176.180 176.094 -0.010 0.000 1.016 71 V CA -0.439 61.861 62.300 -0.001 0.000 0.840 71 V CB 1.505 33.341 31.823 0.023 0.000 0.994 71 V HN 0.587 8.777 8.190 -0.000 0.000 0.431 72 I N 4.379 124.939 120.570 -0.016 0.000 2.281 72 I HA 0.299 4.482 4.170 0.021 0.000 0.293 72 I C 1.393 177.517 176.117 0.012 0.000 1.085 72 I CA -0.131 61.158 61.300 -0.018 0.000 1.257 72 I CB 1.276 39.255 38.000 -0.034 0.000 1.430 72 I HN 0.717 8.927 8.210 -0.000 0.000 0.489 73 A N 4.810 127.646 122.820 0.028 0.000 2.067 73 A HA -0.067 4.266 4.320 0.021 0.000 0.217 73 A C 1.188 178.809 177.584 0.062 0.000 1.156 73 A CA 0.218 52.296 52.037 0.068 0.000 0.683 73 A CB -0.143 18.939 19.000 0.137 0.000 0.808 73 A HN 0.723 8.873 8.150 -0.000 0.000 0.455 74 C N 1.422 120.746 119.300 0.040 0.000 2.482 74 C HA 0.243 4.716 4.460 0.021 0.000 0.378 74 C C 1.536 176.553 174.990 0.045 0.000 1.284 74 C CA -0.642 58.401 59.018 0.043 0.000 1.826 74 C CB -1.237 26.517 27.740 0.024 0.000 2.473 74 C HN 0.598 8.828 8.230 -0.000 0.000 0.562 75 N N 2.826 121.552 118.700 0.043 0.000 2.188 75 N HA -0.110 4.643 4.740 0.021 0.000 0.184 75 N C 1.540 177.079 175.510 0.048 0.000 1.018 75 N CA 1.686 54.763 53.050 0.045 0.000 0.858 75 N CB -0.034 38.496 38.487 0.073 0.000 0.989 75 N HN 0.746 9.126 8.380 -0.000 0.000 0.426 76 T N 1.415 116.010 114.554 0.068 0.000 2.708 76 T HA -0.067 4.296 4.350 0.021 0.000 0.266 76 T C 2.161 176.923 174.700 0.104 0.000 1.037 76 T CA 1.329 63.485 62.100 0.094 0.000 1.146 76 T CB -0.278 68.674 68.868 0.141 0.000 0.865 76 T HN 0.311 8.551 8.240 -0.000 0.000 0.435 77 A N 1.255 124.162 122.820 0.145 0.000 1.933 77 A HA -0.110 4.223 4.320 0.021 0.000 0.218 77 A C 2.557 180.164 177.584 0.039 0.000 1.175 77 A CA 2.006 54.121 52.037 0.130 0.000 0.628 77 A CB -1.263 17.847 19.000 0.183 0.000 0.814 77 A HN 0.466 8.616 8.150 -0.000 0.000 0.444 78 T N 0.406 114.972 114.554 0.021 0.000 2.720 78 T HA -0.067 4.296 4.350 0.021 0.000 0.268 78 T C 2.161 176.848 174.700 -0.022 0.000 1.037 78 T CA 1.597 63.690 62.100 -0.012 0.000 1.144 78 T CB -0.442 68.414 68.868 -0.020 0.000 0.864 78 T HN 0.604 8.844 8.240 -0.000 0.000 0.444 79 A N 0.557 123.363 122.820 -0.023 0.000 2.070 79 A HA -0.009 4.324 4.320 0.021 0.000 0.220 79 A C 2.431 180.010 177.584 -0.009 0.000 1.159 79 A CA 1.228 53.245 52.037 -0.032 0.000 0.656 79 A CB -0.579 18.412 19.000 -0.016 0.000 0.800 79 A HN 0.406 8.556 8.150 -0.000 0.000 0.453 80 V N -0.816 119.098 119.914 0.000 0.000 2.436 80 V HA -0.068 4.064 4.120 0.021 0.000 0.240 80 V C 2.184 178.279 176.094 0.002 0.000 1.040 80 V CA 1.579 63.879 62.300 0.001 0.000 1.052 80 V CB -0.063 31.758 31.823 -0.003 0.000 0.707 80 V HN 0.553 8.743 8.190 -0.000 0.000 0.469 81 V N -2.205 117.698 119.914 -0.018 0.000 3.578 81 V HA 0.250 4.383 4.120 0.021 0.000 0.290 81 V C 1.954 178.011 176.094 -0.061 0.000 1.376 81 V CA 0.336 62.614 62.300 -0.036 0.000 1.083 81 V CB 0.186 31.935 31.823 -0.123 0.000 0.911 81 V HN 0.348 8.538 8.190 -0.000 0.000 0.433 82 L N 1.861 123.058 121.223 -0.044 0.000 1.971 82 L HA -0.167 4.185 4.340 0.021 0.000 0.215 82 L C 2.591 179.440 176.870 -0.036 0.000 1.072 82 L CA 2.575 57.386 54.840 -0.048 0.000 0.758 82 L CB -0.689 41.360 42.059 -0.017 0.000 0.889 82 L HN 0.458 8.688 8.230 -0.000 0.000 0.433 83 E N -0.777 119.417 120.200 -0.009 0.000 2.110 83 E HA -0.289 4.074 4.350 0.021 0.000 0.193 83 E C 2.062 178.678 176.600 0.027 0.000 0.988 83 E CA 1.361 57.762 56.400 0.001 0.000 0.804 83 E CB -0.218 29.489 29.700 0.013 0.000 0.745 83 E HN 0.682 9.042 8.360 -0.000 0.000 0.458 84 E N 0.814 121.047 120.200 0.055 0.000 2.051 84 E HA -0.195 4.168 4.350 0.021 0.000 0.192 84 E C 2.151 178.842 176.600 0.151 0.000 0.991 84 E CA 1.097 57.576 56.400 0.132 0.000 0.799 84 E CB 0.028 29.854 29.700 0.209 0.000 0.748 84 E HN 0.205 8.565 8.360 -0.000 0.000 0.449 85 M N 0.116 119.731 119.600 0.025 0.000 2.175 85 M HA -0.160 4.333 4.480 0.021 0.000 0.264 85 M C 2.329 178.625 176.300 -0.006 0.000 1.063 85 M CA 1.334 56.599 55.300 -0.059 0.000 1.119 85 M CB -0.158 32.261 32.600 -0.302 0.000 1.377 85 M HN 0.144 8.434 8.290 -0.000 0.000 0.415 86 Q N 0.222 120.013 119.800 -0.015 0.000 2.124 86 Q HA -0.198 4.155 4.340 0.021 0.000 0.202 86 Q C 2.061 178.073 176.000 0.019 0.000 0.977 86 Q CA 1.356 57.152 55.803 -0.011 0.000 0.850 86 Q CB -0.184 28.535 28.738 -0.031 0.000 0.901 86 Q HN 0.452 8.722 8.270 -0.000 0.000 0.429 87 K N 0.741 121.163 120.400 0.038 0.000 2.097 87 K HA -0.160 4.173 4.320 0.021 0.000 0.205 87 K C 1.805 178.447 176.600 0.071 0.000 1.050 87 K CA 1.259 57.575 56.287 0.048 0.000 0.938 87 K CB 0.195 32.726 32.500 0.052 0.000 0.718 87 K HN 0.198 8.448 8.250 -0.000 0.000 0.442 88 Q N -0.032 119.841 119.800 0.121 0.000 2.376 88 Q HA 0.161 4.513 4.340 0.021 0.000 0.206 88 Q C 0.105 176.194 176.000 0.149 0.000 0.921 88 Q CA 0.029 55.924 55.803 0.153 0.000 0.911 88 Q CB 0.502 29.395 28.738 0.258 0.000 1.032 88 Q HN 0.246 8.516 8.270 -0.000 0.000 0.510 89 L N 2.524 123.822 121.223 0.125 0.000 2.357 89 L HA 0.232 4.585 4.340 0.021 0.000 0.273 89 L C -1.499 175.404 176.870 0.055 0.000 1.080 89 L CA -1.568 53.330 54.840 0.096 0.000 0.803 89 L CB 0.641 42.738 42.059 0.063 0.000 1.174 89 L HN -0.055 8.175 8.230 -0.000 0.000 0.443 90 P HA 0.102 4.522 4.420 -0.000 0.000 0.253 90 P C -0.242 177.070 177.300 0.021 0.000 1.260 90 P CA 0.470 63.588 63.100 0.030 0.000 0.800 90 P CB 0.062 31.779 31.700 0.028 0.000 1.162 91 I N -2.963 117.618 120.570 0.020 0.000 2.957 91 I HA 0.672 4.854 4.170 0.021 0.000 0.310 91 I C -2.771 173.350 176.117 0.007 0.000 1.063 91 I CA -3.454 57.854 61.300 0.012 0.000 1.033 91 I CB 1.768 39.775 38.000 0.012 0.000 1.230 91 I HN -0.372 7.838 8.210 -0.000 0.000 0.447 92 P HA 0.212 4.632 4.420 -0.000 0.000 0.275 92 P C -0.871 176.425 177.300 -0.008 0.000 1.228 92 P CA -0.157 62.944 63.100 0.002 0.000 0.786 92 P CB 1.694 33.400 31.700 0.011 0.000 0.927 93 V N 3.054 122.956 119.914 -0.019 0.000 2.531 93 V HA 0.280 4.413 4.120 0.021 0.000 0.301 93 V C 0.074 176.147 176.094 -0.034 0.000 1.034 93 V CA -0.694 61.586 62.300 -0.033 0.000 0.865 93 V CB 2.188 33.978 31.823 -0.054 0.000 0.995 93 V HN 0.272 8.462 8.190 -0.000 0.000 0.424 94 V N 3.888 123.788 119.914 -0.024 0.000 2.409 94 V HA 0.773 4.906 4.120 0.021 0.000 0.291 94 V C 0.706 176.796 176.094 -0.007 0.000 1.020 94 V CA -0.207 62.084 62.300 -0.014 0.000 0.848 94 V CB 1.615 33.441 31.823 0.004 0.000 0.990 94 V HN 0.953 9.143 8.190 -0.000 0.000 0.430 95 G N 2.090 110.891 108.800 0.001 0.000 2.511 95 G HA2 0.502 4.475 3.960 0.021 0.000 0.316 95 G HA3 0.502 4.475 3.960 0.021 0.000 0.316 95 G C 0.810 175.732 174.900 0.037 0.000 1.210 95 G CA 0.047 45.156 45.100 0.016 0.000 0.969 95 G HN 0.878 9.168 8.290 -0.000 0.000 0.492 96 V N -1.508 118.422 119.914 0.028 0.000 3.506 96 V HA 0.206 4.339 4.120 0.021 0.000 0.263 96 V C 2.137 178.248 176.094 0.028 0.000 1.203 96 V CA 0.444 62.769 62.300 0.041 0.000 1.133 96 V CB -0.732 31.122 31.823 0.051 0.000 0.802 96 V HN 0.635 8.825 8.190 -0.000 0.000 0.459 97 I N 0.676 121.199 120.570 -0.077 0.000 2.233 97 I HA -0.114 4.069 4.170 0.021 0.000 0.243 97 I C 2.667 178.629 176.117 -0.258 0.000 1.093 97 I CA 1.811 62.893 61.300 -0.364 0.000 1.380 97 I CB -0.446 37.114 38.000 -0.734 0.000 1.067 97 I HN 0.322 8.532 8.210 -0.000 0.000 0.413 98 H N 0.200 119.201 119.070 -0.115 0.000 2.389 98 H HA -0.057 4.510 4.556 0.019 0.000 0.299 98 H C -0.687 174.647 175.328 0.009 0.000 1.081 98 H CA 1.411 57.432 56.048 -0.045 0.000 1.345 98 H CB -1.460 28.277 29.762 -0.042 0.000 1.393 98 H HN 0.250 8.530 8.280 -0.000 0.000 0.520 99 P HA -0.087 4.333 4.420 -0.000 0.000 0.217 99 P C 1.814 179.165 177.300 0.086 0.000 1.150 99 P CA 1.764 64.918 63.100 0.090 0.000 0.832 99 P CB -0.142 31.600 31.700 0.071 0.000 0.787 100 G N -0.841 108.024 108.800 0.108 0.000 2.408 100 G HA2 -0.204 3.768 3.960 0.021 0.000 0.217 100 G HA3 -0.204 3.768 3.960 0.021 0.000 0.217 100 G C 1.643 176.620 174.900 0.128 0.000 1.150 100 G CA 0.781 45.958 45.100 0.129 0.000 0.776 100 G HN 0.184 8.474 8.290 -0.000 0.000 0.542 101 S N -0.191 115.598 115.700 0.147 0.000 2.368 101 S HA -0.047 4.436 4.470 0.021 0.000 0.224 101 S C 2.240 176.888 174.600 0.079 0.000 1.029 101 S CA 0.927 59.199 58.200 0.120 0.000 0.988 101 S CB -0.164 63.076 63.200 0.067 0.000 0.838 101 S HN 0.418 8.728 8.310 -0.000 0.000 0.462 102 R N 0.735 121.281 120.500 0.077 0.000 2.081 102 R HA -0.093 4.259 4.340 0.021 0.000 0.235 102 R C 2.063 178.392 176.300 0.048 0.000 1.131 102 R CA 1.748 57.889 56.100 0.067 0.000 0.960 102 R CB -0.494 29.848 30.300 0.070 0.000 0.856 102 R HN 0.305 8.575 8.270 -0.000 0.000 0.436 103 T N 0.289 114.869 114.554 0.043 0.000 2.904 103 T HA -0.011 4.352 4.350 0.021 0.000 0.267 103 T C 1.692 176.397 174.700 0.008 0.000 1.059 103 T CA 1.022 63.136 62.100 0.024 0.000 1.137 103 T CB -0.096 68.787 68.868 0.024 0.000 0.879 103 T HN 0.420 8.660 8.240 -0.000 0.000 0.467 104 A N 1.328 124.156 122.820 0.014 0.000 1.902 104 A HA 0.022 4.355 4.320 0.021 0.000 0.217 104 A C 2.215 179.775 177.584 -0.041 0.000 1.181 104 A CA 1.168 53.198 52.037 -0.012 0.000 0.623 104 A CB -0.768 18.234 19.000 0.003 0.000 0.818 104 A HN 0.479 8.629 8.150 -0.000 0.000 0.443 105 L N -0.837 120.382 121.223 -0.007 0.000 2.217 105 L HA -0.127 4.226 4.340 0.021 0.000 0.211 105 L C 2.561 179.411 176.870 -0.034 0.000 1.107 105 L CA 1.615 56.449 54.840 -0.011 0.000 0.783 105 L CB -0.309 41.799 42.059 0.082 0.000 0.919 105 L HN 0.471 8.701 8.230 -0.000 0.000 0.442 106 K N 0.414 120.807 120.400 -0.012 0.000 2.097 106 K HA -0.133 4.200 4.320 0.021 0.000 0.205 106 K C 1.838 178.413 176.600 -0.042 0.000 1.050 106 K CA 1.683 57.964 56.287 -0.009 0.000 0.938 106 K CB 0.173 32.675 32.500 0.003 0.000 0.718 106 K HN 0.306 8.556 8.250 -0.000 0.000 0.442 107 V N -1.656 118.221 119.914 -0.061 0.000 3.590 107 V HA 0.103 4.235 4.120 0.021 0.000 0.265 107 V C 0.940 176.962 176.094 -0.119 0.000 1.239 107 V CA 0.211 62.469 62.300 -0.070 0.000 1.117 107 V CB 0.062 31.856 31.823 -0.048 0.000 0.818 107 V HN 0.162 8.352 8.190 -0.000 0.000 0.451 108 T N 1.293 115.727 114.554 -0.200 0.000 2.918 108 T HA 0.228 4.591 4.350 0.021 0.000 0.302 108 T C 0.777 175.256 174.700 -0.368 0.000 1.045 108 T CA 0.968 62.895 62.100 -0.288 0.000 1.114 108 T CB 0.689 69.320 68.868 -0.395 0.000 0.965 108 T HN 0.636 8.876 8.240 -0.000 0.000 0.540 109 N N 0.419 118.980 118.700 -0.231 0.000 2.460 109 N HA 0.066 4.818 4.740 0.021 0.000 0.193 109 N C 1.776 177.268 175.510 -0.030 0.000 1.080 109 N CA 0.432 53.409 53.050 -0.121 0.000 0.869 109 N CB 0.475 38.943 38.487 -0.032 0.000 1.201 109 N HN 0.730 9.110 8.380 -0.000 0.000 0.457 110 T N -2.871 111.666 114.554 -0.029 0.000 3.065 110 T HA 0.042 4.404 4.350 0.021 0.000 0.252 110 T C 0.094 174.916 174.700 0.203 0.000 1.099 110 T CA 0.006 62.169 62.100 0.104 0.000 1.063 110 T CB -0.357 68.567 68.868 0.094 0.000 0.948 110 T HN 0.250 8.490 8.240 -0.000 0.000 0.506 111 Y N 0.340 120.674 120.300 0.057 0.000 4.177 111 Y HA -0.240 4.314 4.550 0.006 0.000 0.227 111 Y C 0.402 176.361 175.900 0.100 0.000 1.154 111 Y CA 0.804 58.938 58.100 0.057 0.000 1.887 111 Y CB -2.748 35.729 38.460 0.027 0.000 1.594 111 Y HN 0.667 8.947 8.280 -0.000 0.000 0.668 112 H N -0.475 118.624 119.070 0.049 0.000 2.718 112 H HA 0.625 5.193 4.556 0.020 0.000 0.295 112 H C -0.805 174.521 175.328 -0.004 0.000 1.051 112 H CA -0.819 55.250 56.048 0.035 0.000 1.260 112 H CB 0.544 30.323 29.762 0.028 0.000 1.403 112 H HN -0.020 8.260 8.280 -0.000 0.000 0.488 113 V N 4.140 124.141 119.914 0.145 0.000 2.581 113 V HA 0.529 4.662 4.120 0.021 0.000 0.303 113 V C 0.621 176.702 176.094 -0.023 0.000 1.041 113 V CA -0.557 61.753 62.300 0.016 0.000 0.907 113 V CB 1.771 33.608 31.823 0.023 0.000 0.994 113 V HN 0.863 9.053 8.190 -0.000 0.000 0.442 114 G N 3.132 111.885 108.800 -0.079 0.000 2.473 114 G HA2 0.769 4.742 3.960 0.021 0.000 0.321 114 G HA3 0.769 4.742 3.960 0.021 0.000 0.321 114 G C -1.406 173.420 174.900 -0.124 0.000 1.200 114 G CA -0.494 44.550 45.100 -0.094 0.000 0.963 114 G HN 0.553 8.843 8.290 -0.000 0.000 0.483 115 I N 0.934 121.412 120.570 -0.152 0.000 2.656 115 I HA 0.586 4.769 4.170 0.021 0.000 0.292 115 I C -1.177 174.840 176.117 -0.167 0.000 1.144 115 I CA -1.268 59.875 61.300 -0.262 0.000 1.038 115 I CB 1.909 39.569 38.000 -0.567 0.000 1.244 115 I HN 0.620 8.830 8.210 -0.000 0.000 0.420 116 I N 4.625 125.137 120.570 -0.098 0.000 2.569 116 I HA 1.004 5.187 4.170 0.021 0.000 0.296 116 I C -0.126 176.065 176.117 0.123 0.000 1.028 116 I CA -0.449 60.867 61.300 0.028 0.000 1.082 116 I CB 1.991 40.046 38.000 0.091 0.000 1.264 116 I HN 0.654 8.864 8.210 -0.000 0.000 0.429 117 G N 2.613 111.475 108.800 0.104 0.000 2.561 117 G HA2 0.501 4.474 3.960 0.021 0.000 0.310 117 G HA3 0.501 4.474 3.960 0.021 0.000 0.310 117 G C -0.706 174.215 174.900 0.035 0.000 1.292 117 G CA -0.159 44.953 45.100 0.019 0.000 0.811 117 G HN 0.859 9.149 8.290 -0.000 0.000 0.482 118 T N -1.308 113.245 114.554 -0.003 0.000 2.802 118 T HA 0.276 4.639 4.350 0.021 0.000 0.305 118 T C 1.627 176.335 174.700 0.013 0.000 1.053 118 T CA 0.359 62.468 62.100 0.014 0.000 1.058 118 T CB 1.055 69.935 68.868 0.020 0.000 0.988 118 T HN 0.856 9.096 8.240 -0.000 0.000 0.539 119 I N 1.811 122.386 120.570 0.009 0.000 2.208 119 I HA 0.047 4.230 4.170 0.021 0.000 0.245 119 I C 2.405 178.533 176.117 0.019 0.000 1.097 119 I CA 2.114 63.417 61.300 0.006 0.000 1.363 119 I CB -1.136 36.867 38.000 0.004 0.000 1.051 119 I HN 0.913 9.123 8.210 -0.000 0.000 0.413 120 G N -1.127 107.691 108.800 0.030 0.000 2.418 120 G HA2 -0.241 3.732 3.960 0.021 0.000 0.217 120 G HA3 -0.241 3.732 3.960 0.021 0.000 0.217 120 G C 1.584 176.508 174.900 0.040 0.000 1.158 120 G CA 1.298 46.418 45.100 0.033 0.000 0.771 120 G HN 0.411 8.701 8.290 -0.000 0.000 0.545 121 T N 0.665 115.251 114.554 0.053 0.000 2.708 121 T HA -0.102 4.261 4.350 0.021 0.000 0.266 121 T C 2.533 177.290 174.700 0.096 0.000 1.037 121 T CA 1.270 63.418 62.100 0.080 0.000 1.146 121 T CB -0.255 68.678 68.868 0.109 0.000 0.865 121 T HN 0.052 8.292 8.240 -0.000 0.000 0.435 122 V N 1.251 121.207 119.914 0.070 0.000 2.358 122 V HA -0.113 4.020 4.120 0.021 0.000 0.246 122 V C 2.401 178.522 176.094 0.046 0.000 1.047 122 V CA 1.517 63.853 62.300 0.060 0.000 1.035 122 V CB -0.412 31.425 31.823 0.022 0.000 0.658 122 V HN 0.442 8.632 8.190 -0.000 0.000 0.452 123 K N 0.698 121.116 120.400 0.031 0.000 2.211 123 K HA -0.129 4.203 4.320 0.021 0.000 0.203 123 K C 2.305 178.919 176.600 0.024 0.000 1.050 123 K CA 1.499 57.799 56.287 0.022 0.000 0.945 123 K CB -0.268 32.241 32.500 0.014 0.000 0.732 123 K HN 0.635 8.885 8.250 -0.000 0.000 0.451 124 S N -0.200 115.517 115.700 0.028 0.000 2.423 124 S HA -0.061 4.422 4.470 0.021 0.000 0.231 124 S C 1.669 176.283 174.600 0.022 0.000 1.014 124 S CA 0.972 59.184 58.200 0.021 0.000 0.965 124 S CB -0.358 62.851 63.200 0.015 0.000 0.785 124 S HN 0.446 8.756 8.310 -0.000 0.000 0.495 125 G N 0.771 109.594 108.800 0.038 0.000 2.168 125 G HA2 -0.269 3.704 3.960 0.021 0.000 0.263 125 G HA3 -0.269 3.704 3.960 0.021 0.000 0.263 125 G C 1.017 175.933 174.900 0.027 0.000 0.977 125 G CA 0.548 45.673 45.100 0.041 0.000 0.659 125 G HN 1.269 9.559 8.290 -0.000 0.000 0.533 126 A N -0.554 122.265 122.820 -0.002 0.000 1.908 126 A HA 0.084 4.416 4.320 0.021 0.000 0.218 126 A C 1.928 179.421 177.584 -0.151 0.000 1.181 126 A CA 2.211 54.193 52.037 -0.092 0.000 0.627 126 A CB -0.493 18.411 19.000 -0.160 0.000 0.818 126 A HN 0.716 8.866 8.150 -0.000 0.000 0.445 127 Y N 0.143 120.401 120.300 -0.070 0.000 2.181 127 Y HA -0.169 4.393 4.550 0.019 0.000 0.288 127 Y C 2.508 178.373 175.900 -0.058 0.000 1.146 127 Y CA 1.915 59.964 58.100 -0.085 0.000 1.164 127 Y CB -0.375 38.053 38.460 -0.054 0.000 0.982 127 Y HN 0.419 8.699 8.280 -0.000 0.000 0.515 128 E N -0.103 120.174 120.200 0.129 0.000 2.077 128 E HA -0.211 4.152 4.350 0.021 0.000 0.193 128 E C 2.055 178.682 176.600 0.046 0.000 0.989 128 E CA 1.468 57.916 56.400 0.081 0.000 0.800 128 E CB -0.172 29.566 29.700 0.065 0.000 0.746 128 E HN 0.473 8.833 8.360 -0.000 0.000 0.452 129 E N -0.019 120.194 120.200 0.021 0.000 2.077 129 E HA -0.180 4.182 4.350 0.021 0.000 0.193 129 E C 1.983 178.584 176.600 0.001 0.000 0.989 129 E CA 0.976 57.383 56.400 0.012 0.000 0.800 129 E CB -0.070 29.634 29.700 0.006 0.000 0.746 129 E HN 0.285 8.645 8.360 -0.000 0.000 0.452 130 A N 0.527 123.303 122.820 -0.074 0.000 1.898 130 A HA -0.140 4.193 4.320 0.021 0.000 0.216 130 A C 2.119 179.698 177.584 -0.010 0.000 1.181 130 A CA 0.962 52.924 52.037 -0.125 0.000 0.620 130 A CB -0.567 18.111 19.000 -0.536 0.000 0.819 130 A HN 0.208 8.358 8.150 -0.000 0.000 0.442 131 L N -0.580 120.655 121.223 0.020 0.000 2.017 131 L HA -0.174 4.179 4.340 0.021 0.000 0.208 131 L C 2.522 179.432 176.870 0.067 0.000 1.073 131 L CA 1.371 56.249 54.840 0.064 0.000 0.745 131 L CB -0.377 41.735 42.059 0.088 0.000 0.894 131 L HN 0.207 8.437 8.230 -0.000 0.000 0.432 132 K N 0.066 120.499 120.400 0.056 0.000 2.148 132 K HA -0.107 4.226 4.320 0.021 0.000 0.204 132 K C 2.328 178.955 176.600 0.044 0.000 1.050 132 K CA 1.582 57.898 56.287 0.048 0.000 0.942 132 K CB -0.453 32.070 32.500 0.039 0.000 0.724 132 K HN 0.446 8.696 8.250 -0.000 0.000 0.446 133 S N 0.709 116.438 115.700 0.048 0.000 2.419 133 S HA -0.091 4.392 4.470 0.021 0.000 0.233 133 S C 2.079 176.709 174.600 0.049 0.000 1.016 133 S CA 0.878 59.107 58.200 0.049 0.000 0.974 133 S CB -0.383 62.856 63.200 0.065 0.000 0.786 133 S HN 0.219 8.529 8.310 -0.000 0.000 0.492 134 I N 0.949 121.554 120.570 0.059 0.000 2.494 134 I HA 0.160 4.343 4.170 0.021 0.000 0.250 134 I C 0.807 176.955 176.117 0.052 0.000 1.112 134 I CA 0.395 61.730 61.300 0.059 0.000 1.438 134 I CB -0.001 38.044 38.000 0.075 0.000 1.111 134 I HN 0.273 8.483 8.210 -0.000 0.000 0.431 135 N N 0.538 119.273 118.700 0.058 0.000 2.430 135 N HA 0.164 4.917 4.740 0.021 0.000 0.290 135 N C -0.318 175.210 175.510 0.029 0.000 1.063 135 N CA -0.186 52.890 53.050 0.044 0.000 0.883 135 N CB 1.197 39.742 38.487 0.097 0.000 1.465 135 N HN -0.065 8.315 8.380 -0.000 0.000 0.493 136 N N 1.800 120.498 118.700 -0.003 0.000 2.354 136 N HA -0.066 4.687 4.740 0.021 0.000 0.179 136 N C 1.397 176.896 175.510 -0.019 0.000 1.021 136 N CA 0.607 53.654 53.050 -0.006 0.000 0.887 136 N CB 0.179 38.658 38.487 -0.013 0.000 0.974 136 N HN 0.659 9.039 8.380 -0.000 0.000 0.437 137 R N 0.455 120.920 120.500 -0.059 0.000 2.307 137 R HA 0.127 4.480 4.340 0.021 0.000 0.199 137 R C 0.644 176.936 176.300 -0.012 0.000 1.000 137 R CA 0.061 56.112 56.100 -0.082 0.000 1.023 137 R CB -0.319 29.861 30.300 -0.200 0.000 0.908 137 R HN -0.111 8.159 8.270 -0.000 0.000 0.473 138 V N 2.056 122.008 119.914 0.064 0.000 2.637 138 V HA 0.134 4.267 4.120 0.021 0.000 0.296 138 V C -0.148 176.002 176.094 0.093 0.000 1.046 138 V CA -0.161 62.235 62.300 0.159 0.000 1.066 138 V CB 1.069 33.010 31.823 0.196 0.000 0.968 138 V HN 0.405 8.595 8.190 -0.000 0.000 0.483 139 M N 7.422 127.079 119.600 0.096 0.000 2.101 139 M HA 0.527 5.020 4.480 0.021 0.000 0.340 139 M C -1.371 175.036 176.300 0.179 0.000 1.057 139 M CA -0.496 54.836 55.300 0.053 0.000 0.984 139 M CB 1.326 33.827 32.600 -0.165 0.000 1.560 139 M HN 0.491 8.781 8.290 -0.000 0.000 0.435 140 V N 4.853 124.846 119.914 0.131 0.000 2.398 140 V HA 0.437 4.570 4.120 0.021 0.000 0.286 140 V C -0.333 175.825 176.094 0.107 0.000 1.026 140 V CA -0.735 61.637 62.300 0.120 0.000 0.868 140 V CB 1.494 33.367 31.823 0.083 0.000 0.982 140 V HN 0.697 8.887 8.190 -0.000 0.000 0.443 141 E N 2.768 123.011 120.200 0.072 0.000 2.129 141 E HA 0.485 4.848 4.350 0.021 0.000 0.268 141 E C -0.833 175.760 176.600 -0.012 0.000 0.900 141 E CA -0.273 56.145 56.400 0.030 0.000 0.755 141 E CB 1.921 31.607 29.700 -0.024 0.000 1.117 141 E HN 0.588 8.948 8.360 -0.000 0.000 0.410 142 S N 2.599 118.296 115.700 -0.005 0.000 2.449 142 S HA 0.562 5.045 4.470 0.021 0.000 0.310 142 S C -0.627 173.956 174.600 -0.028 0.000 1.096 142 S CA -0.689 57.498 58.200 -0.023 0.000 1.095 142 S CB 0.953 64.157 63.200 0.007 0.000 1.007 142 S HN 0.344 8.654 8.310 -0.000 0.000 0.474 143 L N 3.343 124.537 121.223 -0.049 0.000 2.439 143 L HA 0.771 5.124 4.340 0.021 0.000 0.270 143 L C -0.287 176.535 176.870 -0.080 0.000 0.972 143 L CA -0.425 54.378 54.840 -0.061 0.000 0.836 143 L CB 1.177 43.192 42.059 -0.073 0.000 1.255 143 L HN 0.711 8.941 8.230 -0.000 0.000 0.404 144 A N 3.771 126.545 122.820 -0.077 0.000 2.388 144 A HA 0.507 4.839 4.320 0.021 0.000 0.257 144 A C -0.118 177.349 177.584 -0.196 0.000 1.095 144 A CA -0.194 51.789 52.037 -0.090 0.000 0.791 144 A CB 0.086 19.052 19.000 -0.057 0.000 1.029 144 A HN 0.869 9.019 8.150 -0.000 0.000 0.489 145 C N 4.597 123.724 119.300 -0.288 0.000 3.273 145 C HA 0.320 4.793 4.460 0.021 0.000 0.227 145 C C -1.352 173.372 174.990 -0.443 0.000 1.409 145 C CA -0.651 57.967 59.018 -0.667 0.000 1.516 145 C CB -0.275 26.519 27.740 -1.576 0.000 1.853 145 C HN 0.790 9.020 8.230 -0.000 0.000 0.472 146 P HA -0.198 4.222 4.420 -0.000 0.000 0.219 146 P C -0.968 176.329 177.300 -0.004 0.000 1.158 146 P CA 2.164 65.223 63.100 -0.068 0.000 0.895 146 P CB -0.679 30.995 31.700 -0.043 0.000 0.792 147 P HA -0.039 4.381 4.420 -0.000 0.000 0.236 147 P C 1.169 178.620 177.300 0.253 0.000 1.177 147 P CA 0.688 63.864 63.100 0.126 0.000 0.773 147 P CB -0.295 31.482 31.700 0.129 0.000 0.878 148 F N 0.788 120.711 119.950 -0.045 0.000 2.095 148 F HA -0.152 4.387 4.527 0.021 0.000 0.298 148 F C 2.587 178.388 175.800 0.003 0.000 1.104 148 F CA 0.387 58.333 58.000 -0.090 0.000 1.232 148 F CB -1.767 37.042 39.000 -0.317 0.000 0.987 148 F HN -0.233 8.067 8.300 -0.000 0.000 0.475 149 V N -0.162 119.890 119.914 0.230 0.000 2.255 149 V HA -0.315 3.818 4.120 0.021 0.000 0.247 149 V C 2.387 178.510 176.094 0.049 0.000 1.051 149 V CA 2.262 64.554 62.300 -0.013 0.000 1.018 149 V CB -0.611 31.061 31.823 -0.250 0.000 0.641 149 V HN 0.284 8.474 8.190 -0.000 0.000 0.445 150 E N -0.630 119.614 120.200 0.074 0.000 2.110 150 E HA -0.234 4.129 4.350 0.021 0.000 0.193 150 E C 2.101 178.768 176.600 0.111 0.000 0.988 150 E CA 0.958 57.414 56.400 0.094 0.000 0.804 150 E CB -0.120 29.626 29.700 0.077 0.000 0.745 150 E HN 0.395 8.755 8.360 -0.000 0.000 0.458 151 L N -0.016 121.267 121.223 0.100 0.000 2.127 151 L HA -0.170 4.183 4.340 0.021 0.000 0.211 151 L C 2.039 178.982 176.870 0.122 0.000 1.089 151 L CA 1.320 56.203 54.840 0.072 0.000 0.757 151 L CB -0.200 41.864 42.059 0.009 0.000 0.899 151 L HN 0.056 8.286 8.230 -0.000 0.000 0.434 152 V N -1.121 118.878 119.914 0.142 0.000 2.446 152 V HA -0.104 4.029 4.120 0.021 0.000 0.244 152 V C 2.416 178.702 176.094 0.320 0.000 1.039 152 V CA 1.152 63.548 62.300 0.160 0.000 1.045 152 V CB -0.427 31.367 31.823 -0.048 0.000 0.681 152 V HN 0.376 8.566 8.190 -0.000 0.000 0.459 153 E N 1.091 121.496 120.200 0.341 0.000 2.110 153 E HA -0.161 4.202 4.350 0.021 0.000 0.193 153 E C 2.334 179.087 176.600 0.254 0.000 0.988 153 E CA 1.658 58.278 56.400 0.366 0.000 0.804 153 E CB -0.419 29.448 29.700 0.279 0.000 0.745 153 E HN 0.708 9.068 8.360 -0.000 0.000 0.458 154 S N -0.228 115.585 115.700 0.189 0.000 2.603 154 S HA 0.096 4.579 4.470 0.021 0.000 0.229 154 S C 1.509 176.177 174.600 0.114 0.000 0.972 154 S CA 0.684 58.958 58.200 0.123 0.000 0.935 154 S CB -0.254 62.995 63.200 0.082 0.000 0.769 154 S HN 0.331 8.641 8.310 -0.000 0.000 0.536 155 G N 1.731 110.655 108.800 0.206 0.000 2.198 155 G HA2 -0.248 3.725 3.960 0.021 0.000 0.260 155 G HA3 -0.248 3.725 3.960 0.021 0.000 0.260 155 G C 0.242 175.070 174.900 -0.120 0.000 1.025 155 G CA 0.262 45.451 45.100 0.149 0.000 0.769 155 G HN 0.579 8.869 8.290 -0.000 0.000 0.507 156 N N -0.192 118.479 118.700 -0.049 0.000 2.328 156 N HA 0.206 4.959 4.740 0.021 0.000 0.247 156 N C 1.533 176.951 175.510 -0.153 0.000 1.165 156 N CA 0.257 53.222 53.050 -0.141 0.000 0.873 156 N CB -0.007 38.452 38.487 -0.046 0.000 1.125 156 N HN 0.563 8.943 8.380 -0.000 0.000 0.513 157 F N 0.116 120.008 119.950 -0.096 0.000 2.604 157 F HA 0.247 4.787 4.527 0.022 0.000 0.298 157 F C 1.319 177.025 175.800 -0.156 0.000 1.131 157 F CA 0.368 58.268 58.000 -0.167 0.000 1.457 157 F CB 0.033 38.907 39.000 -0.211 0.000 1.095 157 F HN -0.090 8.210 8.300 -0.000 0.000 0.574 158 E N 0.659 120.631 120.200 -0.380 0.000 2.526 158 E HA 0.097 4.460 4.350 0.021 0.000 0.208 158 E C 0.687 177.264 176.600 -0.039 0.000 0.997 158 E CA 0.107 56.416 56.400 -0.152 0.000 0.961 158 E CB 0.371 29.943 29.700 -0.214 0.000 1.030 158 E HN 0.426 8.786 8.360 -0.000 0.000 0.483 159 S N 0.643 116.291 115.700 -0.087 0.000 2.600 159 S HA 0.104 4.587 4.470 0.021 0.000 0.265 159 S C 1.129 175.788 174.600 0.098 0.000 1.325 159 S CA -0.587 57.601 58.200 -0.020 0.000 1.002 159 S CB 1.357 64.522 63.200 -0.058 0.000 0.921 159 S HN -0.068 8.242 8.310 -0.000 0.000 0.554 160 E N 0.419 120.657 120.200 0.064 0.000 2.153 160 E HA -0.160 4.202 4.350 0.021 0.000 0.194 160 E C 1.738 178.395 176.600 0.094 0.000 0.988 160 E CA 1.101 57.551 56.400 0.083 0.000 0.811 160 E CB -0.410 29.287 29.700 -0.005 0.000 0.746 160 E HN 0.854 9.214 8.360 -0.000 0.000 0.466 161 M N 0.370 119.993 119.600 0.039 0.000 2.080 161 M HA -0.214 4.279 4.480 0.021 0.000 0.260 161 M C 2.154 178.459 176.300 0.008 0.000 1.068 161 M CA 2.036 57.348 55.300 0.019 0.000 1.109 161 M CB -0.081 32.519 32.600 0.000 0.000 1.342 161 M HN 0.074 8.364 8.290 -0.000 0.000 0.405 162 A N -0.343 122.466 122.820 -0.018 0.000 1.892 162 A HA -0.231 4.102 4.320 0.021 0.000 0.218 162 A C 1.801 179.284 177.584 -0.169 0.000 1.188 162 A CA 1.861 53.822 52.037 -0.127 0.000 0.631 162 A CB -1.438 17.453 19.000 -0.181 0.000 0.822 162 A HN 0.697 8.847 8.150 -0.000 0.000 0.447 163 Y N 0.170 120.409 120.300 -0.103 0.000 2.181 163 Y HA -0.184 4.379 4.550 0.022 0.000 0.288 163 Y C 2.549 178.407 175.900 -0.071 0.000 1.146 163 Y CA 1.931 59.976 58.100 -0.092 0.000 1.164 163 Y CB -0.282 38.136 38.460 -0.070 0.000 0.982 163 Y HN 0.461 8.741 8.280 -0.000 0.000 0.515 164 E N -0.705 119.559 120.200 0.106 0.000 2.072 164 E HA -0.154 4.209 4.350 0.021 0.000 0.191 164 E C 2.263 178.881 176.600 0.031 0.000 0.985 164 E CA 1.471 57.905 56.400 0.057 0.000 0.801 164 E CB -0.314 29.412 29.700 0.042 0.000 0.750 164 E HN 0.196 8.556 8.360 -0.000 0.000 0.452 165 V N 1.051 120.972 119.914 0.012 0.000 2.343 165 V HA -0.222 3.911 4.120 0.021 0.000 0.247 165 V C 2.309 178.438 176.094 0.059 0.000 1.051 165 V CA 1.329 63.648 62.300 0.033 0.000 1.036 165 V CB -0.298 31.543 31.823 0.030 0.000 0.654 165 V HN 0.136 8.326 8.190 -0.000 0.000 0.451 166 V N -0.313 119.553 119.914 -0.080 0.000 2.427 166 V HA -0.228 3.905 4.120 0.021 0.000 0.248 166 V C 2.531 178.638 176.094 0.023 0.000 1.051 166 V CA 2.113 64.347 62.300 -0.111 0.000 1.048 166 V CB -0.784 30.774 31.823 -0.442 0.000 0.666 166 V HN 0.444 8.634 8.190 -0.000 0.000 0.456 167 R N 0.484 120.985 120.500 0.001 0.000 2.083 167 R HA -0.233 4.120 4.340 0.021 0.000 0.237 167 R C 2.498 178.821 176.300 0.038 0.000 1.137 167 R CA 2.179 58.295 56.100 0.026 0.000 0.951 167 R CB -0.211 30.113 30.300 0.040 0.000 0.851 167 R HN 0.846 9.116 8.270 -0.000 0.000 0.434 168 E N -1.036 119.190 120.200 0.044 0.000 2.072 168 E HA -0.126 4.237 4.350 0.021 0.000 0.191 168 E C 1.581 178.207 176.600 0.043 0.000 0.985 168 E CA 1.670 58.093 56.400 0.038 0.000 0.801 168 E CB -0.388 29.333 29.700 0.036 0.000 0.750 168 E HN 0.149 8.509 8.360 -0.000 0.000 0.452 169 T N 1.618 116.220 114.554 0.081 0.000 2.821 169 T HA -0.027 4.336 4.350 0.021 0.000 0.267 169 T C 1.728 176.446 174.700 0.030 0.000 1.046 169 T CA 1.087 63.222 62.100 0.058 0.000 1.139 169 T CB -0.112 68.822 68.868 0.110 0.000 0.871 169 T HN 0.150 8.390 8.240 -0.000 0.000 0.454 170 L N 0.847 122.110 121.223 0.067 0.000 2.591 170 L HA 0.139 4.492 4.340 0.021 0.000 0.228 170 L C 2.540 179.413 176.870 0.006 0.000 1.133 170 L CA 0.114 54.973 54.840 0.031 0.000 0.880 170 L CB -0.412 41.676 42.059 0.049 0.000 1.033 170 L HN 0.129 8.359 8.230 -0.000 0.000 0.450 171 Q N 1.457 121.262 119.800 0.008 0.000 2.133 171 Q HA -0.182 4.171 4.340 0.021 0.000 0.208 171 Q C -0.588 175.408 176.000 -0.007 0.000 0.991 171 Q CA 2.222 58.026 55.803 0.002 0.000 0.867 171 Q CB -1.193 27.548 28.738 0.005 0.000 0.911 171 Q HN 0.259 8.529 8.270 -0.000 0.000 0.417 172 P HA -0.126 4.294 4.420 -0.000 0.000 0.221 172 P C 0.726 178.012 177.300 -0.023 0.000 1.145 172 P CA 0.829 63.920 63.100 -0.014 0.000 0.795 172 P CB 0.073 31.762 31.700 -0.018 0.000 0.775 173 L N -0.876 120.328 121.223 -0.031 0.000 2.307 173 L HA 0.047 4.399 4.340 0.021 0.000 0.211 173 L C 1.964 178.802 176.870 -0.053 0.000 1.099 173 L CA 1.633 56.442 54.840 -0.052 0.000 0.816 173 L CB -0.743 41.285 42.059 -0.051 0.000 0.952 173 L HN -0.166 8.064 8.230 -0.000 0.000 0.455 174 K N -0.645 119.736 120.400 -0.032 0.000 2.155 174 K HA -0.075 4.258 4.320 0.021 0.000 0.203 174 K C 1.616 178.203 176.600 -0.022 0.000 1.052 174 K CA 0.957 57.228 56.287 -0.027 0.000 0.948 174 K CB -0.076 32.416 32.500 -0.014 0.000 0.728 174 K HN 0.280 8.530 8.250 -0.000 0.000 0.448 175 N N 0.497 119.188 118.700 -0.016 0.000 2.188 175 N HA -0.075 4.678 4.740 0.021 0.000 0.184 175 N C 0.478 175.986 175.510 -0.004 0.000 1.018 175 N CA 0.854 53.902 53.050 -0.004 0.000 0.858 175 N CB -0.443 38.045 38.487 0.002 0.000 0.989 175 N HN 0.044 8.424 8.380 -0.000 0.000 0.426 176 T N 1.262 115.799 114.554 -0.027 0.000 2.856 176 T HA -0.003 4.360 4.350 0.021 0.000 0.306 176 T C 0.544 175.198 174.700 -0.077 0.000 1.062 176 T CA -0.098 61.971 62.100 -0.053 0.000 1.083 176 T CB 0.542 69.314 68.868 -0.160 0.000 0.984 176 T HN 0.285 8.525 8.240 -0.000 0.000 0.542 177 D N 1.705 122.076 120.400 -0.048 0.000 3.071 177 D HA 0.061 4.714 4.640 0.021 0.000 0.259 177 D C 0.497 176.754 176.300 -0.071 0.000 1.331 177 D CA -0.507 53.493 54.000 0.000 0.000 0.861 177 D CB -0.686 40.180 40.800 0.109 0.000 1.059 177 D HN 0.621 8.991 8.370 -0.000 0.000 0.486 178 I N -1.392 119.024 120.570 -0.257 0.000 2.575 178 I HA 0.261 4.444 4.170 0.021 0.000 0.285 178 I C 0.353 176.414 176.117 -0.093 0.000 1.085 178 I CA -0.519 60.645 61.300 -0.227 0.000 1.403 178 I CB 1.045 38.875 38.000 -0.283 0.000 1.409 178 I HN -0.221 7.989 8.210 -0.000 0.000 0.557 179 D N 2.303 122.669 120.400 -0.056 0.000 2.395 179 D HA 0.131 4.784 4.640 0.021 0.000 0.213 179 D C -0.066 176.200 176.300 -0.056 0.000 1.110 179 D CA -0.108 53.864 54.000 -0.047 0.000 0.835 179 D CB 0.447 41.226 40.800 -0.035 0.000 0.965 179 D HN 0.607 8.977 8.370 -0.000 0.000 0.505 180 T N 0.606 115.121 114.554 -0.065 0.000 3.032 180 T HA 0.447 4.810 4.350 0.021 0.000 0.312 180 T C -1.669 172.991 174.700 -0.066 0.000 1.078 180 T CA -0.668 61.395 62.100 -0.062 0.000 1.028 180 T CB 2.021 70.849 68.868 -0.067 0.000 1.091 180 T HN 0.041 8.281 8.240 -0.000 0.000 0.457 181 L N 4.131 125.320 121.223 -0.057 0.000 2.372 181 L HA 0.657 5.010 4.340 0.021 0.000 0.274 181 L C -1.113 175.724 176.870 -0.056 0.000 0.988 181 L CA -0.662 54.142 54.840 -0.061 0.000 0.833 181 L CB 0.915 42.946 42.059 -0.047 0.000 1.236 181 L HN 0.684 8.914 8.230 -0.000 0.000 0.410 182 I N 5.797 126.310 120.570 -0.095 0.000 2.416 182 I HA 0.166 4.349 4.170 0.021 0.000 0.288 182 I C -0.060 176.007 176.117 -0.084 0.000 1.051 182 I CA -0.208 61.026 61.300 -0.110 0.000 1.375 182 I CB 0.798 38.656 38.000 -0.238 0.000 1.407 182 I HN 0.460 8.670 8.210 -0.000 0.000 0.516 183 L N 7.101 128.324 121.223 -0.000 0.000 2.375 183 L HA 0.227 4.580 4.340 0.021 0.000 0.276 183 L C 1.197 178.062 176.870 -0.008 0.000 1.162 183 L CA -0.206 54.696 54.840 0.102 0.000 0.991 183 L CB 0.034 42.173 42.059 0.133 0.000 1.315 183 L HN 0.780 9.010 8.230 -0.000 0.000 0.431 184 G N 1.625 110.366 108.800 -0.100 0.000 3.574 184 G HA2 0.230 4.202 3.960 0.021 0.000 0.262 184 G HA3 0.230 4.202 3.960 0.021 0.000 0.262 184 G C -0.225 174.570 174.900 -0.176 0.000 1.231 184 G CA -0.085 44.958 45.100 -0.094 0.000 1.608 184 G HN 0.594 8.884 8.290 -0.000 0.000 0.628 185 C N 0.107 119.180 119.300 -0.378 0.000 3.090 185 C HA 0.512 4.985 4.460 0.021 0.000 0.347 185 C C 1.935 176.758 174.990 -0.279 0.000 1.147 185 C CA 0.228 58.940 59.018 -0.510 0.000 1.305 185 C CB 0.874 27.796 27.740 -1.363 0.000 1.692 185 C HN 0.546 8.776 8.230 -0.000 0.000 0.506 186 T N 0.875 115.398 114.554 -0.053 0.000 2.759 186 T HA -0.217 4.146 4.350 0.021 0.000 0.269 186 T C 1.158 175.848 174.700 -0.017 0.000 1.042 186 T CA 2.301 64.420 62.100 0.033 0.000 1.140 186 T CB -0.497 68.442 68.868 0.120 0.000 0.864 186 T HN 0.904 9.144 8.240 -0.000 0.000 0.455 187 H N -0.035 118.957 119.070 -0.129 0.000 2.495 187 H HA 0.167 4.735 4.556 0.021 0.000 0.287 187 H C 1.808 177.116 175.328 -0.034 0.000 1.033 187 H CA 0.708 56.659 56.048 -0.162 0.000 1.307 187 H CB -0.564 29.174 29.762 -0.041 0.000 1.401 187 H HN 0.368 8.648 8.280 -0.000 0.000 0.555 188 Y N 0.150 120.440 120.300 -0.017 0.000 2.256 188 Y HA -0.066 4.496 4.550 0.021 0.000 0.288 188 Y C -0.532 175.286 175.900 -0.137 0.000 1.155 188 Y CA 0.069 58.137 58.100 -0.054 0.000 1.203 188 Y CB -1.708 36.770 38.460 0.030 0.000 0.980 188 Y HN 0.296 8.576 8.280 -0.000 0.000 0.530 189 P HA -0.146 4.274 4.420 -0.000 0.000 0.219 189 P C 1.556 178.756 177.300 -0.166 0.000 1.146 189 P CA 1.282 64.347 63.100 -0.059 0.000 0.808 189 P CB -0.024 31.648 31.700 -0.047 0.000 0.779 190 I N -1.627 118.751 120.570 -0.320 0.000 2.614 190 I HA -0.112 4.071 4.170 0.021 0.000 0.258 190 I C 1.821 177.689 176.117 -0.415 0.000 1.189 190 I CA 1.363 62.334 61.300 -0.548 0.000 1.462 190 I CB -1.075 36.281 38.000 -1.073 0.000 1.092 190 I HN 0.062 8.272 8.210 -0.000 0.000 0.442 191 L N 0.119 121.168 121.223 -0.291 0.000 2.607 191 L HA 0.176 4.529 4.340 0.021 0.000 0.228 191 L C 2.344 179.074 176.870 -0.234 0.000 1.123 191 L CA 0.044 54.718 54.840 -0.277 0.000 0.890 191 L CB -0.272 41.547 42.059 -0.400 0.000 1.103 191 L HN 0.178 8.408 8.230 -0.000 0.000 0.468 192 G N 1.855 110.559 108.800 -0.160 0.000 2.574 192 G HA2 -0.253 3.720 3.960 0.021 0.000 0.220 192 G HA3 -0.253 3.720 3.960 0.021 0.000 0.220 192 G C -0.716 174.119 174.900 -0.109 0.000 1.173 192 G CA 0.931 45.965 45.100 -0.109 0.000 0.772 192 G HN 0.308 8.598 8.290 -0.000 0.000 0.585 193 P HA -0.021 4.399 4.420 -0.000 0.000 0.215 193 P C 2.137 179.365 177.300 -0.119 0.000 1.153 193 P CA 0.834 63.896 63.100 -0.063 0.000 0.853 193 P CB -0.078 31.613 31.700 -0.015 0.000 0.788 194 V N -0.415 119.329 119.914 -0.283 0.000 2.307 194 V HA -0.222 3.910 4.120 0.021 0.000 0.245 194 V C 2.324 178.217 176.094 -0.334 0.000 1.045 194 V CA 1.635 63.604 62.300 -0.553 0.000 1.024 194 V CB -1.070 30.256 31.823 -0.828 0.000 0.651 194 V HN 0.040 8.230 8.190 -0.000 0.000 0.449 195 I N -0.037 120.365 120.570 -0.280 0.000 2.226 195 I HA -0.258 3.925 4.170 0.021 0.000 0.245 195 I C 2.554 178.610 176.117 -0.102 0.000 1.100 195 I CA 1.610 62.796 61.300 -0.190 0.000 1.374 195 I CB -0.362 37.540 38.000 -0.163 0.000 1.057 195 I HN 0.241 8.451 8.210 -0.000 0.000 0.413 196 K N 1.074 121.425 120.400 -0.081 0.000 2.057 196 K HA -0.228 4.105 4.320 0.021 0.000 0.207 196 K C 2.132 178.723 176.600 -0.015 0.000 1.049 196 K CA 1.550 57.813 56.287 -0.039 0.000 0.931 196 K CB -0.240 32.243 32.500 -0.028 0.000 0.714 196 K HN 0.225 8.475 8.250 -0.000 0.000 0.440 197 Q N -0.535 119.267 119.800 0.003 0.000 2.084 197 Q HA -0.116 4.237 4.340 0.021 0.000 0.202 197 Q C 1.832 177.859 176.000 0.044 0.000 0.978 197 Q CA 1.829 57.669 55.803 0.063 0.000 0.844 197 Q CB 0.096 28.958 28.738 0.206 0.000 0.898 197 Q HN 0.178 8.448 8.270 -0.000 0.000 0.426 198 V N 0.014 119.936 119.914 0.013 0.000 2.379 198 V HA -0.220 3.913 4.120 0.021 0.000 0.245 198 V C 2.145 178.236 176.094 -0.005 0.000 1.044 198 V CA 1.250 63.554 62.300 0.007 0.000 1.036 198 V CB -0.317 31.494 31.823 -0.020 0.000 0.664 198 V HN 0.451 8.641 8.190 -0.000 0.000 0.453 199 M N -0.520 119.069 119.600 -0.018 0.000 2.288 199 M HA 0.244 4.737 4.480 0.021 0.000 0.266 199 M C 1.221 177.511 176.300 -0.016 0.000 1.072 199 M CA 1.297 56.585 55.300 -0.021 0.000 1.132 199 M CB -1.214 31.368 32.600 -0.029 0.000 1.386 199 M HN 0.530 8.820 8.290 -0.000 0.000 0.432 200 G N 0.541 109.334 108.800 -0.011 0.000 2.712 200 G HA2 -0.165 3.808 3.960 0.021 0.000 0.683 200 G HA3 -0.165 3.808 3.960 0.021 0.000 0.683 200 G C -0.167 174.726 174.900 -0.011 0.000 1.320 200 G CA -0.265 44.830 45.100 -0.007 0.000 0.847 200 G HN 0.284 8.574 8.290 -0.000 0.000 0.553 201 D N 0.046 120.442 120.400 -0.008 0.000 2.310 201 D HA -0.040 4.613 4.640 0.021 0.000 0.212 201 D C 2.109 178.402 176.300 -0.012 0.000 0.965 201 D CA 1.076 55.071 54.000 -0.009 0.000 0.879 201 D CB 0.114 40.911 40.800 -0.006 0.000 0.921 201 D HN 0.543 8.913 8.370 -0.000 0.000 0.510 202 K N 0.313 120.705 120.400 -0.013 0.000 2.487 202 K HA 0.094 4.427 4.320 0.021 0.000 0.192 202 K C 0.133 176.719 176.600 -0.023 0.000 1.027 202 K CA 0.128 56.405 56.287 -0.016 0.000 1.054 202 K CB 1.163 33.655 32.500 -0.013 0.000 0.824 202 K HN -0.062 8.188 8.250 -0.000 0.000 0.510 203 V N 2.218 122.116 119.914 -0.026 0.000 2.378 203 V HA 0.146 4.279 4.120 0.021 0.000 0.288 203 V C -0.492 175.583 176.094 -0.031 0.000 1.016 203 V CA -0.876 61.403 62.300 -0.034 0.000 0.840 203 V CB 1.452 33.251 31.823 -0.039 0.000 0.994 203 V HN 0.129 8.319 8.190 -0.000 0.000 0.431 204 Q N 4.566 124.346 119.800 -0.034 0.000 2.279 204 Q HA 0.543 4.896 4.340 0.021 0.000 0.256 204 Q C -0.819 175.164 176.000 -0.029 0.000 0.937 204 Q CA -0.169 55.617 55.803 -0.029 0.000 0.933 204 Q CB 1.495 30.214 28.738 -0.032 0.000 1.189 204 Q HN 0.614 8.884 8.270 -0.000 0.000 0.417 205 L N 4.015 125.224 121.223 -0.023 0.000 2.326 205 L HA 0.437 4.790 4.340 0.021 0.000 0.278 205 L C -0.197 176.666 176.870 -0.011 0.000 1.092 205 L CA -0.421 54.409 54.840 -0.017 0.000 0.810 205 L CB 0.550 42.600 42.059 -0.015 0.000 1.153 205 L HN 0.525 8.755 8.230 -0.000 0.000 0.439 206 I N 2.263 122.828 120.570 -0.008 0.000 2.355 206 I HA 0.152 4.335 4.170 0.021 0.000 0.288 206 I C 0.266 176.391 176.117 0.013 0.000 0.999 206 I CA -0.168 61.133 61.300 0.001 0.000 1.163 206 I CB 1.901 39.901 38.000 0.001 0.000 1.316 206 I HN 0.566 8.776 8.210 -0.000 0.000 0.454 207 S N 3.814 119.523 115.700 0.016 0.000 2.489 207 S HA 0.188 4.671 4.470 0.021 0.000 0.277 207 S C 1.146 175.765 174.600 0.032 0.000 1.230 207 S CA -0.464 57.749 58.200 0.022 0.000 1.053 207 S CB 1.244 64.451 63.200 0.012 0.000 0.955 207 S HN 0.646 8.956 8.310 -0.000 0.000 0.488 208 S N 4.362 120.087 115.700 0.041 0.000 2.370 208 S HA -0.053 4.430 4.470 0.021 0.000 0.226 208 S C 2.048 176.677 174.600 0.048 0.000 1.033 208 S CA 1.480 59.715 58.200 0.059 0.000 1.011 208 S CB -0.888 62.353 63.200 0.069 0.000 0.852 208 S HN 0.939 9.249 8.310 -0.000 0.000 0.457 209 G N 1.797 110.619 108.800 0.037 0.000 2.433 209 G HA2 -0.240 3.733 3.960 0.021 0.000 0.216 209 G HA3 -0.240 3.733 3.960 0.021 0.000 0.216 209 G C 0.968 175.882 174.900 0.024 0.000 1.186 209 G CA 1.248 46.368 45.100 0.034 0.000 0.779 209 G HN 0.417 8.707 8.290 -0.000 0.000 0.543 210 D N 0.661 121.071 120.400 0.016 0.000 2.116 210 D HA -0.091 4.562 4.640 0.021 0.000 0.193 210 D C 2.502 178.812 176.300 0.016 0.000 0.998 210 D CA 1.233 55.239 54.000 0.010 0.000 0.836 210 D CB -0.080 40.724 40.800 0.006 0.000 0.951 210 D HN 0.214 8.584 8.370 -0.000 0.000 0.449 211 E N -0.102 120.113 120.200 0.024 0.000 2.106 211 E HA -0.077 4.286 4.350 0.021 0.000 0.192 211 E C 2.241 178.862 176.600 0.034 0.000 0.984 211 E CA 0.917 57.335 56.400 0.030 0.000 0.806 211 E CB -0.735 28.989 29.700 0.040 0.000 0.750 211 E HN 0.287 8.647 8.360 -0.000 0.000 0.458 212 T N 1.282 115.859 114.554 0.039 0.000 2.777 212 T HA -0.058 4.304 4.350 0.021 0.000 0.266 212 T C 1.933 176.652 174.700 0.032 0.000 1.040 212 T CA 1.379 63.503 62.100 0.040 0.000 1.141 212 T CB -0.185 68.710 68.868 0.045 0.000 0.868 212 T HN 0.277 8.517 8.240 -0.000 0.000 0.444 213 A N 1.620 124.456 122.820 0.026 0.000 1.933 213 A HA -0.091 4.242 4.320 0.021 0.000 0.218 213 A C 2.302 179.897 177.584 0.018 0.000 1.175 213 A CA 1.499 53.547 52.037 0.019 0.000 0.628 213 A CB -0.534 18.472 19.000 0.009 0.000 0.814 213 A HN 0.367 8.517 8.150 -0.000 0.000 0.444 214 R N -0.451 120.059 120.500 0.016 0.000 2.092 214 R HA -0.154 4.199 4.340 0.021 0.000 0.231 214 R C 2.127 178.439 176.300 0.019 0.000 1.119 214 R CA 1.700 57.807 56.100 0.012 0.000 0.970 214 R CB -0.193 30.112 30.300 0.008 0.000 0.864 214 R HN 0.689 8.959 8.270 -0.000 0.000 0.440 215 E N -0.317 119.898 120.200 0.026 0.000 2.072 215 E HA -0.130 4.233 4.350 0.021 0.000 0.191 215 E C 1.834 178.457 176.600 0.037 0.000 0.985 215 E CA 1.195 57.613 56.400 0.031 0.000 0.801 215 E CB 0.097 29.818 29.700 0.034 0.000 0.750 215 E HN 0.118 8.478 8.360 -0.000 0.000 0.452 216 V N 0.295 120.231 119.914 0.036 0.000 2.295 216 V HA -0.274 3.859 4.120 0.021 0.000 0.246 216 V C 2.422 178.548 176.094 0.053 0.000 1.049 216 V CA 1.921 64.246 62.300 0.040 0.000 1.024 216 V CB -0.656 31.187 31.823 0.033 0.000 0.648 216 V HN 0.365 8.555 8.190 -0.000 0.000 0.447 217 S N -0.600 115.128 115.700 0.046 0.000 2.359 217 S HA -0.250 4.232 4.470 0.021 0.000 0.224 217 S C 2.092 176.743 174.600 0.085 0.000 1.035 217 S CA 2.514 60.746 58.200 0.054 0.000 1.018 217 S CB -0.426 62.789 63.200 0.025 0.000 0.876 217 S HN 0.711 9.021 8.310 -0.000 0.000 0.448 218 T N 2.380 116.975 114.554 0.068 0.000 2.708 218 T HA 0.011 4.374 4.350 0.021 0.000 0.266 218 T C 1.755 176.566 174.700 0.184 0.000 1.037 218 T CA 1.626 63.786 62.100 0.100 0.000 1.146 218 T CB -0.393 68.507 68.868 0.052 0.000 0.865 218 T HN 0.420 8.660 8.240 -0.000 0.000 0.435 219 I N 0.638 121.283 120.570 0.127 0.000 2.252 219 I HA -0.114 4.069 4.170 0.021 0.000 0.245 219 I C 2.255 178.454 176.117 0.138 0.000 1.102 219 I CA 1.093 62.471 61.300 0.131 0.000 1.385 219 I CB -0.412 37.633 38.000 0.075 0.000 1.064 219 I HN 0.191 8.401 8.210 -0.000 0.000 0.414 220 L N -0.408 120.886 121.223 0.118 0.000 2.046 220 L HA -0.258 4.095 4.340 0.021 0.000 0.208 220 L C 2.724 179.667 176.870 0.121 0.000 1.077 220 L CA 1.589 56.486 54.840 0.095 0.000 0.747 220 L CB -0.810 41.299 42.059 0.082 0.000 0.896 220 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 221 Y N 0.081 120.409 120.300 0.047 0.000 2.145 221 Y HA -0.351 4.212 4.550 0.021 0.000 0.286 221 Y C 2.808 178.741 175.900 0.055 0.000 1.145 221 Y CA 2.129 60.257 58.100 0.046 0.000 1.148 221 Y CB -0.375 38.118 38.460 0.055 0.000 0.981 221 Y HN 0.173 8.453 8.280 -0.000 0.000 0.507 222 H N -0.488 118.616 119.070 0.057 0.000 2.387 222 H HA -0.038 4.533 4.556 0.025 0.000 0.299 222 H C 1.757 177.013 175.328 -0.120 0.000 1.090 222 H CA 1.885 57.886 56.048 -0.079 0.000 1.332 222 H CB -0.241 29.564 29.762 0.071 0.000 1.386 222 H HN 0.292 8.572 8.280 -0.000 0.000 0.516 223 S N 0.605 116.250 115.700 -0.091 0.000 2.671 223 S HA 0.061 4.544 4.470 0.021 0.000 0.220 223 S C 0.093 174.613 174.600 -0.132 0.000 0.951 223 S CA 0.030 58.162 58.200 -0.113 0.000 0.932 223 S CB -0.059 63.132 63.200 -0.014 0.000 0.777 223 S HN 0.444 8.754 8.310 -0.000 0.000 0.508 224 K N 0.547 120.836 120.400 -0.185 0.000 3.148 224 K HA -0.198 4.135 4.320 0.021 0.000 0.267 224 K C -0.049 176.506 176.600 -0.074 0.000 0.996 224 K CA 0.779 56.974 56.287 -0.154 0.000 0.737 224 K CB -1.779 30.625 32.500 -0.160 0.000 1.308 224 K HN 0.440 8.690 8.250 -0.000 0.000 0.470 225 M N 0.157 119.734 119.600 -0.038 0.000 2.502 225 M HA 0.133 4.626 4.480 0.021 0.000 0.351 225 M C -0.266 176.042 176.300 0.013 0.000 1.118 225 M CA -0.535 54.759 55.300 -0.010 0.000 0.952 225 M CB 0.601 33.201 32.600 -0.000 0.000 1.424 225 M HN 0.123 8.413 8.290 -0.000 0.000 0.529 226 L N 2.289 123.525 121.223 0.022 0.000 2.361 226 L HA 0.254 4.607 4.340 0.021 0.000 0.278 226 L C 0.310 177.201 176.870 0.035 0.000 1.113 226 L CA 0.257 55.126 54.840 0.048 0.000 0.849 226 L CB 0.288 42.400 42.059 0.088 0.000 1.155 226 L HN 0.132 8.362 8.230 -0.000 0.000 0.452 227 N N 4.145 122.866 118.700 0.034 0.000 2.475 227 N HA 0.047 4.800 4.740 0.021 0.000 0.267 227 N C -0.632 174.896 175.510 0.031 0.000 1.169 227 N CA 0.221 53.288 53.050 0.027 0.000 0.947 227 N CB 0.494 38.998 38.487 0.028 0.000 1.061 227 N HN 0.681 9.061 8.380 -0.000 0.000 0.466 228 E N 0.839 121.054 120.200 0.024 0.000 2.244 228 E HA 0.612 4.975 4.350 0.021 0.000 0.266 228 E C -0.460 176.151 176.600 0.019 0.000 0.914 228 E CA -0.784 55.632 56.400 0.026 0.000 0.794 228 E CB 1.216 30.932 29.700 0.026 0.000 1.210 228 E HN 0.743 9.103 8.360 -0.000 0.000 0.414 229 G N 2.329 111.140 108.800 0.018 0.000 3.051 229 G HA2 -0.260 3.713 3.960 0.021 0.000 0.686 229 G HA3 -0.260 3.713 3.960 0.021 0.000 0.686 229 G C -0.798 174.109 174.900 0.011 0.000 1.461 229 G CA 0.417 45.525 45.100 0.013 0.000 1.129 229 G HN 0.744 9.034 8.290 -0.000 0.000 0.601 230 E N 0.291 120.496 120.200 0.008 0.000 7.438 230 E HA -0.112 4.251 4.350 0.021 0.000 0.230 230 E C 0.263 176.867 176.600 0.007 0.000 0.890 230 E CA 0.845 57.248 56.400 0.004 0.000 1.606 230 E CB -0.355 29.345 29.700 -0.000 0.000 0.905 230 E HN 0.840 9.200 8.360 -0.000 0.000 0.266 231 E N 2.460 122.664 120.200 0.007 0.000 2.349 231 E HA 0.164 4.527 4.350 0.021 0.000 0.265 231 E C 0.244 176.842 176.600 -0.003 0.000 1.064 231 E CA -0.546 55.863 56.400 0.014 0.000 0.886 231 E CB 0.849 30.560 29.700 0.018 0.000 1.036 231 E HN 0.231 8.591 8.360 -0.000 0.000 0.413 232 Q N 0.340 120.142 119.800 0.002 0.000 2.180 232 Q HA 0.361 4.714 4.340 0.021 0.000 0.241 232 Q C -0.070 175.833 176.000 -0.163 0.000 0.970 232 Q CA -0.378 55.374 55.803 -0.085 0.000 0.919 232 Q CB 1.870 30.559 28.738 -0.082 0.000 1.222 232 Q HN 0.456 8.726 8.270 -0.000 0.000 0.482 233 S N -0.670 114.816 115.700 -0.356 0.000 2.475 233 S HA -0.038 4.445 4.470 0.021 0.000 0.270 233 S C -0.440 173.897 174.600 -0.438 0.000 1.026 233 S CA -0.302 57.703 58.200 -0.325 0.000 1.437 233 S CB 0.602 63.734 63.200 -0.114 0.000 1.215 233 S HN 0.617 8.927 8.310 -0.000 0.000 0.648 234 D N 2.804 122.934 120.400 -0.451 0.000 2.470 234 D HA 0.050 4.703 4.640 0.021 0.000 0.226 234 D C -0.973 175.109 176.300 -0.364 0.000 1.196 234 D CA 0.269 54.097 54.000 -0.287 0.000 0.979 234 D CB -0.112 40.590 40.800 -0.164 0.000 1.059 234 D HN 0.283 8.653 8.370 -0.000 0.000 0.515 235 H N 3.095 122.143 119.070 -0.037 0.000 2.539 235 H HA 0.282 4.851 4.556 0.022 0.000 0.332 235 H C -0.337 174.834 175.328 -0.261 0.000 1.031 235 H CA -0.800 55.149 56.048 -0.165 0.000 1.206 235 H CB 1.703 31.401 29.762 -0.106 0.000 1.446 235 H HN 0.309 8.589 8.280 -0.000 0.000 0.496 236 L N 4.084 125.155 121.223 -0.254 0.000 2.289 236 L HA 0.401 4.754 4.340 0.021 0.000 0.285 236 L C -1.341 175.234 176.870 -0.491 0.000 1.049 236 L CA -0.271 54.428 54.840 -0.236 0.000 0.804 236 L CB 0.129 42.115 42.059 -0.122 0.000 1.195 236 L HN 0.312 8.542 8.230 -0.000 0.000 0.428 237 F N 5.881 125.809 119.950 -0.035 0.000 2.460 237 F HA 0.520 5.060 4.527 0.021 0.000 0.341 237 F C -0.393 175.241 175.800 -0.276 0.000 1.130 237 F CA -0.522 57.428 58.000 -0.083 0.000 0.962 237 F CB 1.213 40.126 39.000 -0.145 0.000 1.171 237 F HN 0.219 8.519 8.300 -0.000 0.000 0.436 238 L N 2.587 123.716 121.223 -0.157 0.000 2.322 238 L HA 0.759 5.112 4.340 0.021 0.000 0.279 238 L C 0.072 176.668 176.870 -0.456 0.000 1.036 238 L CA -0.559 54.017 54.840 -0.440 0.000 0.807 238 L CB 2.144 43.810 42.059 -0.655 0.000 1.226 238 L HN 0.555 8.785 8.230 -0.000 0.000 0.433 239 T N -1.144 113.119 114.554 -0.486 0.000 2.933 239 T HA 0.268 4.631 4.350 0.021 0.000 0.305 239 T C 0.581 175.229 174.700 -0.086 0.000 1.092 239 T CA -0.221 61.736 62.100 -0.237 0.000 1.008 239 T CB 1.504 70.236 68.868 -0.227 0.000 1.102 239 T HN 0.767 9.007 8.240 -0.000 0.000 0.469 240 T N 0.870 115.430 114.554 0.010 0.000 3.129 240 T HA 0.388 4.751 4.350 0.021 0.000 0.251 240 T C 1.027 175.730 174.700 0.006 0.000 1.117 240 T CA 0.320 62.424 62.100 0.006 0.000 1.034 240 T CB -0.009 68.791 68.868 -0.114 0.000 0.968 240 T HN 0.684 8.924 8.240 -0.000 0.000 0.526 241 G N 0.614 109.432 108.800 0.031 0.000 2.990 241 G HA2 0.551 4.524 3.960 0.021 0.000 0.208 241 G HA3 0.551 4.524 3.960 0.021 0.000 0.208 241 G C -1.043 173.880 174.900 0.037 0.000 1.334 241 G CA -1.256 43.869 45.100 0.042 0.000 1.024 241 G HN 0.290 8.580 8.290 -0.000 0.000 0.574 242 K N 0.019 120.447 120.400 0.048 0.000 2.412 242 K HA 0.157 4.490 4.320 0.021 0.000 0.281 242 K C 1.161 177.793 176.600 0.053 0.000 1.027 242 K CA -0.116 56.194 56.287 0.038 0.000 0.989 242 K CB 1.613 34.134 32.500 0.035 0.000 0.935 242 K HN 0.298 8.548 8.250 -0.000 0.000 0.475 243 I N 1.952 122.533 120.570 0.019 0.000 2.493 243 I HA -0.202 3.981 4.170 0.021 0.000 0.254 243 I C 2.110 178.259 176.117 0.053 0.000 1.160 243 I CA 1.298 62.602 61.300 0.006 0.000 1.445 243 I CB -0.285 37.700 38.000 -0.025 0.000 1.086 243 I HN 0.901 9.111 8.210 -0.000 0.000 0.433 244 G N 0.794 109.617 108.800 0.039 0.000 2.394 244 G HA2 -0.150 3.823 3.960 0.021 0.000 0.214 244 G HA3 -0.150 3.823 3.960 0.021 0.000 0.214 244 G C 1.704 176.623 174.900 0.031 0.000 1.176 244 G CA 0.105 45.222 45.100 0.029 0.000 0.786 244 G HN 0.239 8.529 8.290 -0.000 0.000 0.533 245 L N -0.645 120.600 121.223 0.036 0.000 2.127 245 L HA 0.005 4.358 4.340 0.021 0.000 0.211 245 L C 2.517 179.380 176.870 -0.010 0.000 1.089 245 L CA 0.845 55.691 54.840 0.010 0.000 0.757 245 L CB -0.187 41.885 42.059 0.022 0.000 0.899 245 L HN 0.285 8.515 8.230 -0.000 0.000 0.434 246 F N 0.468 120.357 119.950 -0.103 0.000 2.113 246 F HA -0.257 4.283 4.527 0.021 0.000 0.297 246 F C 2.343 178.020 175.800 -0.205 0.000 1.103 246 F CA 1.630 59.541 58.000 -0.148 0.000 1.248 246 F CB 0.106 39.044 39.000 -0.102 0.000 0.999 246 F HN -0.134 8.166 8.300 -0.000 0.000 0.475 247 K N 0.373 120.823 120.400 0.085 0.000 2.103 247 K HA -0.112 4.220 4.320 0.021 0.000 0.204 247 K C 1.909 178.428 176.600 -0.135 0.000 1.052 247 K CA 1.397 57.667 56.287 -0.027 0.000 0.945 247 K CB -0.264 32.243 32.500 0.010 0.000 0.722 247 K HN 0.292 8.542 8.250 -0.000 0.000 0.443 248 E N 0.363 120.493 120.200 -0.117 0.000 2.038 248 E HA -0.189 4.174 4.350 0.021 0.000 0.195 248 E C 1.920 178.379 176.600 -0.236 0.000 1.000 248 E CA 1.411 57.733 56.400 -0.129 0.000 0.803 248 E CB -0.139 29.511 29.700 -0.083 0.000 0.750 248 E HN 0.242 8.602 8.360 -0.000 0.000 0.448 249 I N 0.922 121.282 120.570 -0.350 0.000 2.252 249 I HA -0.254 3.929 4.170 0.021 0.000 0.245 249 I C 2.588 178.098 176.117 -1.010 0.000 1.102 249 I CA 0.809 61.749 61.300 -0.599 0.000 1.385 249 I CB -0.435 37.183 38.000 -0.637 0.000 1.064 249 I HN 0.096 8.306 8.210 -0.000 0.000 0.414 250 A N 1.322 123.624 122.820 -0.864 0.000 1.865 250 A HA -0.256 4.077 4.320 0.021 0.000 0.217 250 A C 2.506 179.800 177.584 -0.482 0.000 1.191 250 A CA 2.623 54.204 52.037 -0.759 0.000 0.623 250 A CB -1.011 17.708 19.000 -0.469 0.000 0.826 250 A HN 0.532 8.682 8.150 -0.000 0.000 0.444 251 S N -0.424 115.114 115.700 -0.269 0.000 2.447 251 S HA -0.117 4.366 4.470 0.021 0.000 0.233 251 S C 1.780 176.307 174.600 -0.121 0.000 1.006 251 S CA 1.393 59.528 58.200 -0.110 0.000 0.957 251 S CB -0.254 62.911 63.200 -0.058 0.000 0.773 251 S HN 0.628 8.938 8.310 -0.000 0.000 0.507 252 K N -0.235 120.047 120.400 -0.197 0.000 2.211 252 K HA -0.055 4.278 4.320 0.021 0.000 0.203 252 K C 1.356 178.025 176.600 0.114 0.000 1.050 252 K CA 1.225 57.500 56.287 -0.021 0.000 0.945 252 K CB -0.122 32.387 32.500 0.015 0.000 0.732 252 K HN 0.475 8.725 8.250 -0.000 0.000 0.451 253 W N -0.381 120.605 121.300 -0.523 0.000 2.494 253 W HA 0.055 4.729 4.660 0.022 0.000 0.286 253 W C 1.202 177.267 176.519 -0.758 0.000 1.218 253 W CA 0.370 57.180 57.345 -0.893 0.000 1.313 253 W CB -0.233 28.254 29.460 -1.622 0.000 1.105 253 W HN 0.198 8.378 8.180 -0.000 0.000 0.561 254 F N -3.398 116.632 119.950 0.133 0.000 1.759 254 F HA 0.613 5.153 4.527 0.021 0.000 0.239 254 F C 0.915 176.718 175.800 0.005 0.000 1.234 254 F CA -0.186 57.845 58.000 0.052 0.000 1.313 254 F CB -0.435 38.579 39.000 0.024 0.000 1.912 254 F HN -0.196 8.104 8.300 -0.000 0.000 0.254 255 G N -0.360 108.700 108.800 0.433 0.000 2.317 255 G HA2 0.470 4.443 3.960 0.021 0.000 0.293 255 G HA3 0.470 4.443 3.960 0.021 0.000 0.293 255 G C -1.484 173.485 174.900 0.115 0.000 1.287 255 G CA -0.137 45.066 45.100 0.171 0.000 0.850 255 G HN 0.348 8.638 8.290 -0.000 0.000 0.515 256 Q N -1.256 118.558 119.800 0.023 0.000 0.592 256 Q HA -0.181 4.172 4.340 0.021 0.000 0.379 256 Q C -2.266 173.683 176.000 -0.085 0.000 1.075 256 Q CA 1.448 57.231 55.803 -0.032 0.000 0.308 256 Q CB -1.420 27.287 28.738 -0.052 0.000 5.523 256 Q HN 0.620 8.890 8.270 -0.000 0.000 0.358 257 P HA 0.362 4.782 4.420 -0.000 0.000 0.314 257 P C 0.671 177.947 177.300 -0.039 0.000 1.306 257 P CA -0.170 62.838 63.100 -0.153 0.000 0.782 257 P CB 0.397 31.818 31.700 -0.465 0.000 1.337 258 I N -3.058 117.532 120.570 0.033 0.000 3.098 258 I HA 0.293 4.476 4.170 0.021 0.000 0.241 258 I C 1.190 177.349 176.117 0.071 0.000 1.081 258 I CA 0.369 61.698 61.300 0.048 0.000 1.487 258 I CB -0.839 37.192 38.000 0.051 0.000 1.366 258 I HN 0.154 8.364 8.210 -0.000 0.000 0.463 259 E N 3.710 123.987 120.200 0.129 0.000 1.858 259 E HA -0.007 4.356 4.350 0.021 0.000 0.278 259 E C -0.642 176.042 176.600 0.140 0.000 1.172 259 E CA -0.112 56.355 56.400 0.113 0.000 1.127 259 E CB -0.375 29.386 29.700 0.101 0.000 1.084 259 E HN 0.338 8.698 8.360 -0.000 0.000 0.455 260 N N 3.735 122.462 118.700 0.046 0.000 2.479 260 N HA 0.180 4.933 4.740 0.021 0.000 0.261 260 N C -1.297 174.155 175.510 -0.097 0.000 0.979 260 N CA -0.353 52.667 53.050 -0.049 0.000 0.930 260 N CB 1.411 39.834 38.487 -0.106 0.000 1.172 260 N HN 0.077 8.457 8.380 -0.000 0.000 0.499 261 V N 2.687 122.520 119.914 -0.134 0.000 2.769 261 V HA 0.423 4.556 4.120 0.021 0.000 0.312 261 V C 0.346 176.327 176.094 -0.188 0.000 1.058 261 V CA -0.845 61.380 62.300 -0.124 0.000 0.952 261 V CB 2.045 33.813 31.823 -0.090 0.000 1.019 261 V HN 0.504 8.694 8.190 -0.000 0.000 0.445 262 K N 3.381 123.714 120.400 -0.111 0.000 2.156 262 K HA 0.572 4.905 4.320 0.021 0.000 0.254 262 K C -0.893 175.713 176.600 0.010 0.000 0.950 262 K CA -0.299 55.937 56.287 -0.084 0.000 0.849 262 K CB 1.493 33.972 32.500 -0.034 0.000 1.100 262 K HN 1.115 9.365 8.250 -0.000 0.000 0.434 263 H N 0.350 119.346 119.070 -0.124 0.000 2.990 263 H HA 0.574 5.143 4.556 0.021 0.000 0.336 263 H C -1.391 173.849 175.328 -0.147 0.000 1.306 263 H CA -1.111 54.871 56.048 -0.110 0.000 1.118 263 H CB 1.431 31.115 29.762 -0.130 0.000 1.856 263 H HN 0.365 8.645 8.280 -0.000 0.000 0.538 264 I N 0.798 121.285 120.570 -0.139 0.000 2.603 264 I HA 0.229 4.412 4.170 0.021 0.000 0.300 264 I C -0.619 175.355 176.117 -0.239 0.000 1.017 264 I CA -0.331 60.855 61.300 -0.189 0.000 1.098 264 I CB 1.914 39.888 38.000 -0.042 0.000 1.279 264 I HN 0.657 8.867 8.210 -0.000 0.000 0.437 265 H N 5.726 124.663 119.070 -0.222 0.000 2.489 265 H HA 0.431 4.999 4.556 0.021 0.000 0.322 265 H C -0.645 174.657 175.328 -0.044 0.000 1.091 265 H CA -0.990 54.965 56.048 -0.155 0.000 1.291 265 H CB 1.114 30.792 29.762 -0.141 0.000 1.436 265 H HN 0.368 8.648 8.280 -0.000 0.000 0.480 266 L N 4.933 126.229 121.223 0.122 0.000 2.562 266 L HA -0.024 4.329 4.340 0.021 0.000 0.271 266 L C 0.251 177.148 176.870 0.046 0.000 1.167 266 L CA 0.620 55.499 54.840 0.065 0.000 0.917 266 L CB -0.378 41.712 42.059 0.051 0.000 1.187 266 L HN 0.892 9.122 8.230 -0.000 0.000 0.482 267 E N 0.000 120.226 120.200 0.044 0.000 2.725 267 E HA 0.000 4.363 4.350 0.021 0.000 0.291 267 E CA 0.000 56.426 56.400 0.044 0.000 0.976 267 E CB 0.000 29.722 29.700 0.037 0.000 0.812 267 E HN 0.000 8.360 8.360 -0.000 0.000 0.440