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 2zhc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLVFIDDGST NIKLQWQESD GTIKQHISPN SFKREWAVSF GDKKVFNYTL DATA SEQUENCE NGEQYSFDPI SPDAVVTTNI AWQYSDVNVV AVHHALLTSG LPVSEVDIVC DATA SEQUENCE TLPLTEYYDR NNQPNTENIE RKKANFRKKI TLNGGDTFTI KDVKVMPESI DATA SEQUENCE PAGYEVLQEL DELDSLLIID LGGTTLDISQ VMGKLSGISK IYGDSSLGVS DATA SEQUENCE LVTSAVKDAL SLARTKGSSY LADDIIIHRK DNNYLKQRIN DENKISIVTE DATA SEQUENCE AMNEALRKLE QRVLNTLNEF SGYTHVMVIG GGAELICDAV KKHTQIRDER DATA SEQUENCE FFKTNNSQYD LVNGMYLIGN 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 4.471 4.480 -0.015 0.000 0.227 1 M C 0.000 176.260 176.300 -0.067 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 L N 5.190 126.368 121.223 -0.076 0.000 2.319 2 L HA 0.206 4.615 4.340 -0.242 -0.214 0.280 2 L C -1.575 175.204 176.870 -0.151 0.000 1.099 2 L CA -0.267 54.456 54.840 -0.196 0.000 0.828 2 L CB 0.678 42.565 42.059 -0.288 0.000 1.150 2 L HN 0.191 8.400 8.230 -0.035 0.000 0.442 3 V N 3.228 122.996 119.914 -0.243 0.000 2.495 3 V HA 0.167 4.429 4.120 0.236 0.000 0.298 3 V C -1.322 174.650 176.094 -0.203 0.000 1.031 3 V CA -1.479 60.773 62.300 -0.079 0.000 0.871 3 V CB 2.415 34.111 31.823 -0.211 0.000 0.988 3 V HN 0.695 8.696 8.190 -0.315 0.000 0.432 4 F N 6.347 126.390 119.950 0.154 0.000 2.390 4 F HA 0.150 4.695 4.527 0.030 0.000 0.361 4 F C -1.022 174.838 175.800 0.099 0.000 1.124 4 F CA -0.432 57.632 58.000 0.107 0.000 1.149 4 F CB 0.526 39.629 39.000 0.172 0.000 1.160 4 F HN 0.598 9.342 8.300 0.740 0.000 0.501 5 I N 4.309 124.944 120.570 0.109 0.000 2.464 5 I HA 0.271 4.638 4.170 0.130 -0.119 0.277 5 I C -1.708 174.447 176.117 0.063 0.000 1.040 5 I CA -0.998 60.335 61.300 0.055 0.000 1.153 5 I CB 1.440 39.373 38.000 -0.111 0.000 1.274 5 I HN 0.764 8.979 8.210 0.008 0.000 0.469 6 D N 7.592 128.061 120.400 0.115 0.000 2.383 6 D HA -0.061 4.631 4.640 0.087 0.000 0.245 6 D C -0.627 175.733 176.300 0.099 0.000 1.263 6 D CA -0.980 53.078 54.000 0.096 0.000 0.936 6 D CB 0.583 41.436 40.800 0.089 0.000 1.053 6 D HN 0.464 8.924 8.370 0.151 0.000 0.507 7 D N 6.085 126.554 120.400 0.114 0.000 3.134 7 D HA 0.009 4.757 4.640 0.181 0.000 0.248 7 D C -0.391 176.070 176.300 0.267 0.000 1.273 7 D CA -1.955 52.157 54.000 0.186 0.000 0.904 7 D CB -1.490 39.420 40.800 0.185 0.000 1.089 7 D HN -0.467 7.962 8.370 0.099 0.000 0.478 8 G N -1.688 107.208 108.800 0.160 0.000 2.554 8 G HA2 -0.111 3.998 3.960 0.112 0.000 0.238 8 G HA3 -0.111 3.866 3.960 0.028 0.000 0.238 8 G C 0.086 174.969 174.900 -0.029 0.000 1.259 8 G CA -0.011 45.142 45.100 0.088 0.000 0.843 8 G HN -0.527 7.724 8.290 0.116 0.108 0.582 9 S N 0.774 116.370 115.700 -0.174 0.000 2.527 9 S HA -0.157 3.350 4.470 -1.605 0.000 0.222 9 S C 0.555 174.774 174.600 -0.635 0.000 0.985 9 S CA 2.424 60.197 58.200 -0.712 0.000 0.921 9 S CB 0.729 63.678 63.200 -0.419 0.000 0.772 9 S HN 0.085 8.364 8.310 -0.050 0.000 0.529 10 T N 1.201 115.569 114.554 -0.310 0.000 2.781 10 T HA -0.177 4.016 4.350 -0.261 0.000 0.252 10 T C -1.307 173.284 174.700 -0.182 0.000 1.039 10 T CA 3.254 65.217 62.100 -0.228 0.000 1.147 10 T CB 0.594 69.384 68.868 -0.130 0.000 0.865 10 T HN 0.034 8.123 8.240 -0.202 0.030 0.423 11 N N -2.781 115.857 118.700 -0.104 0.000 2.396 11 N HA 0.161 4.985 4.740 0.007 -0.080 0.275 11 N C -2.391 173.136 175.510 0.028 0.000 1.218 11 N CA -0.607 52.436 53.050 -0.010 0.000 0.812 11 N CB 3.925 42.432 38.487 0.034 0.000 1.592 11 N HN -0.736 7.585 8.380 -0.098 0.000 0.480 12 I N 0.875 121.510 120.570 0.109 0.000 2.365 12 I HA 0.109 4.478 4.170 0.113 -0.131 0.291 12 I C -0.878 175.306 176.117 0.112 0.000 1.004 12 I CA -0.274 61.103 61.300 0.130 0.000 1.311 12 I CB 0.979 39.091 38.000 0.188 0.000 1.401 12 I HN 0.870 9.173 8.210 0.154 0.000 0.491 13 K N 7.038 127.501 120.400 0.105 0.000 2.244 13 K HA 0.531 5.080 4.320 0.187 -0.117 0.260 13 K C -1.353 175.379 176.600 0.221 0.000 0.951 13 K CA -0.708 55.662 56.287 0.137 0.000 0.826 13 K CB 1.862 34.364 32.500 0.003 0.000 1.108 13 K HN 0.602 8.908 8.250 0.095 0.000 0.433 14 L N 1.573 122.993 121.223 0.329 0.000 2.371 14 L HA 0.968 5.704 4.340 0.337 -0.194 0.262 14 L C -1.490 175.608 176.870 0.380 0.000 1.006 14 L CA -0.974 54.099 54.840 0.388 0.000 0.818 14 L CB 4.213 46.583 42.059 0.518 0.000 1.354 14 L HN 0.880 9.341 8.230 0.385 0.000 0.415 15 Q N 0.698 120.755 119.800 0.428 0.000 2.340 15 Q HA 0.920 5.439 4.340 -0.050 -0.209 0.276 15 Q C -2.203 174.115 176.000 0.530 0.000 1.048 15 Q CA -0.999 54.941 55.803 0.229 0.000 0.832 15 Q CB 4.612 33.379 28.738 0.047 0.000 1.373 15 Q HN 0.684 9.266 8.270 0.519 0.000 0.409 16 W N 1.402 122.784 121.300 0.137 0.000 2.959 16 W HA 0.464 5.502 4.660 0.630 0.000 0.358 16 W C -3.486 173.097 176.519 0.108 0.000 1.228 16 W CA -0.864 56.648 57.345 0.277 0.000 1.183 16 W CB 2.096 31.669 29.460 0.189 0.000 1.467 16 W HN 0.895 8.751 8.180 -0.541 0.000 0.578 17 Q N 0.025 120.035 119.800 0.350 0.000 2.387 17 Q HA 0.485 4.946 4.340 -0.072 -0.164 0.273 17 Q C -0.956 175.226 176.000 0.302 0.000 1.089 17 Q CA -1.538 54.362 55.803 0.162 0.000 0.824 17 Q CB 3.907 32.771 28.738 0.210 0.000 1.367 17 Q HN 0.220 8.852 8.270 0.604 0.000 0.443 18 E N 2.245 122.562 120.200 0.195 0.000 2.586 18 E HA 0.319 4.814 4.350 0.243 0.000 0.232 18 E C -0.235 176.439 176.600 0.123 0.000 0.854 18 E CA -1.296 55.226 56.400 0.204 0.000 0.938 18 E CB 2.270 32.097 29.700 0.212 0.000 1.518 18 E HN -0.157 8.259 8.360 0.093 0.000 0.400 19 S N -1.493 114.266 115.700 0.098 0.000 2.631 19 S HA -0.009 4.502 4.470 0.069 0.000 0.217 19 S C 0.123 174.754 174.600 0.050 0.000 0.958 19 S CA 1.186 59.428 58.200 0.069 0.000 0.920 19 S CB -0.298 62.938 63.200 0.059 0.000 0.776 19 S HN 0.350 8.723 8.310 0.105 0.000 0.517 20 D N 2.226 122.654 120.400 0.046 0.000 2.162 20 D HA -0.065 4.590 4.640 0.025 0.000 0.205 20 D C 0.938 177.250 176.300 0.020 0.000 0.964 20 D CA 0.307 54.323 54.000 0.027 0.000 0.847 20 D CB -0.395 40.416 40.800 0.019 0.000 0.988 20 D HN -0.218 8.121 8.370 0.057 0.065 0.480 21 G N -0.060 108.754 108.800 0.022 0.000 2.148 21 G HA2 -0.250 3.904 3.960 0.033 0.000 0.157 21 G HA3 -0.250 3.718 3.960 0.013 0.000 0.157 21 G C -1.477 173.415 174.900 -0.013 0.000 1.012 21 G CA -0.415 44.695 45.100 0.016 0.000 0.677 21 G HN -0.013 8.295 8.290 0.031 0.000 0.506 22 T N -1.028 113.504 114.554 -0.035 0.000 2.855 22 T HA 0.297 4.592 4.350 -0.092 0.000 0.281 22 T C -0.301 174.303 174.700 -0.159 0.000 1.007 22 T CA -2.025 60.021 62.100 -0.090 0.000 1.009 22 T CB 2.254 71.067 68.868 -0.091 0.000 0.983 22 T HN -0.269 8.340 8.240 -0.018 -0.380 0.455 23 I N 4.462 124.887 120.570 -0.240 0.000 2.365 23 I HA 0.221 4.310 4.170 -0.410 -0.165 0.291 23 I C -0.303 175.523 176.117 -0.484 0.000 1.004 23 I CA -0.245 60.815 61.300 -0.400 0.000 1.311 23 I CB 0.904 38.612 38.000 -0.486 0.000 1.401 23 I HN 0.410 8.493 8.210 -0.211 0.000 0.491 24 K N 8.005 127.955 120.400 -0.750 0.000 2.207 24 K HA 0.430 4.412 4.320 -0.564 0.000 0.255 24 K C -1.773 174.298 176.600 -0.881 0.000 0.941 24 K CA -1.660 54.115 56.287 -0.855 0.000 0.825 24 K CB 2.026 33.828 32.500 -1.164 0.000 1.119 24 K HN 0.737 8.434 8.250 -0.922 0.000 0.430 25 Q N 1.761 121.221 119.800 -0.566 0.000 2.257 25 Q HA 0.702 5.037 4.340 -0.301 -0.176 0.262 25 Q C -0.627 175.258 176.000 -0.192 0.000 0.997 25 Q CA -1.038 54.531 55.803 -0.391 0.000 0.873 25 Q CB 3.141 31.583 28.738 -0.493 0.000 1.312 25 Q HN 0.279 8.266 8.270 -0.472 0.000 0.450 26 H N 1.936 120.979 119.070 -0.045 0.000 3.017 26 H HA 0.249 4.822 4.556 0.027 0.000 0.346 26 H C -2.828 172.663 175.328 0.271 0.000 1.286 26 H CA -0.075 56.048 56.048 0.126 0.000 1.120 26 H CB 3.520 33.481 29.762 0.331 0.000 1.860 26 H HN 0.568 8.960 8.280 0.188 0.000 0.542 27 I N 1.841 122.152 120.570 -0.433 0.000 2.656 27 I HA 0.701 5.078 4.170 0.007 -0.203 0.292 27 I C -2.571 173.304 176.117 -0.402 0.000 1.144 27 I CA -1.367 59.823 61.300 -0.183 0.000 1.038 27 I CB 3.548 41.603 38.000 0.091 0.000 1.244 27 I HN 0.163 7.684 8.210 -1.149 0.000 0.420 28 S N 6.889 122.554 115.700 -0.058 0.000 2.561 28 S HA 0.618 5.151 4.470 0.104 0.000 0.303 28 S C -2.644 172.109 174.600 0.255 0.000 1.110 28 S CA -3.584 54.700 58.200 0.141 0.000 1.034 28 S CB 2.544 65.927 63.200 0.304 0.000 1.010 28 S HN 0.577 8.913 8.310 0.043 0.000 0.482 29 P HA 0.072 4.738 4.420 0.177 -0.140 0.276 29 P C -1.387 176.028 177.300 0.192 0.000 1.244 29 P CA -0.906 62.341 63.100 0.245 0.000 0.801 29 P CB 0.970 32.881 31.700 0.352 0.000 1.006 30 N N 1.479 120.201 118.700 0.036 0.000 2.399 30 N HA -0.185 4.704 4.740 0.247 0.000 0.259 30 N C -1.287 174.017 175.510 -0.343 0.000 1.160 30 N CA 0.272 53.284 53.050 -0.063 0.000 0.946 30 N CB -0.519 37.797 38.487 -0.286 0.000 1.156 30 N HN -0.231 8.141 8.380 -0.014 0.000 0.489 31 S N 4.077 119.189 115.700 -0.981 0.000 2.680 31 S HA 0.203 4.381 4.470 -0.488 0.000 0.153 31 S C -2.238 171.696 174.600 -1.109 0.000 1.224 31 S CA -0.010 57.683 58.200 -0.846 0.000 1.197 31 S CB 0.721 63.520 63.200 -0.667 0.000 1.634 31 S HN -0.141 6.874 8.310 -2.159 0.000 0.422 32 F N 1.883 121.941 119.950 0.179 0.000 2.445 32 F HA 0.655 5.534 4.527 0.276 -0.186 0.348 32 F C -0.464 175.517 175.800 0.302 0.000 1.125 32 F CA -1.168 56.998 58.000 0.277 0.000 0.983 32 F CB 2.114 41.299 39.000 0.308 0.000 1.198 32 F HN -0.649 7.504 8.300 -0.245 0.000 0.436 33 K N 2.423 123.001 120.400 0.297 0.000 2.098 33 K HA 0.362 4.753 4.320 0.119 0.000 0.261 33 K C 0.064 176.611 176.600 -0.087 0.000 0.987 33 K CA -1.861 54.497 56.287 0.118 0.000 0.916 33 K CB 2.283 34.797 32.500 0.022 0.000 1.039 33 K HN 0.741 9.168 8.250 0.295 0.000 0.455 34 R N 0.937 121.229 120.500 -0.348 0.000 4.792 34 R HA 0.146 3.564 4.340 -1.726 -0.113 0.205 34 R C -0.584 175.421 176.300 -0.491 0.000 1.875 34 R CA -0.660 54.953 56.100 -0.811 0.000 1.588 34 R CB -1.927 28.043 30.300 -0.550 0.000 1.401 34 R HN 0.415 8.586 8.270 -0.166 0.000 0.834 35 E N -0.111 119.867 120.200 -0.371 0.000 2.396 35 E HA 0.199 4.533 4.350 -0.350 -0.194 0.280 35 E C -2.257 174.294 176.600 -0.081 0.000 1.065 35 E CA -1.103 55.154 56.400 -0.238 0.000 0.831 35 E CB 2.999 32.637 29.700 -0.103 0.000 1.272 35 E HN -0.373 7.718 8.360 -0.328 0.071 0.443 36 W N 1.778 123.094 121.300 0.027 0.000 2.311 36 W HA 0.159 4.876 4.660 0.095 0.000 0.317 36 W C -0.630 175.915 176.519 0.044 0.000 1.065 36 W CA -1.707 55.674 57.345 0.060 0.000 1.364 36 W CB -0.408 29.088 29.460 0.059 0.000 1.233 36 W HN 0.175 8.502 8.180 0.036 -0.125 0.409 37 A N 7.493 130.473 122.820 0.267 0.000 2.391 37 A HA 0.316 4.714 4.320 0.130 0.000 0.316 37 A C -1.392 176.248 177.584 0.094 0.000 1.381 37 A CA -0.918 51.213 52.037 0.157 0.000 0.998 37 A CB 0.220 19.299 19.000 0.132 0.000 1.147 37 A HN 0.323 8.651 8.150 0.297 0.000 0.545 38 V N 1.037 120.943 119.914 -0.014 0.000 3.653 38 V HA 0.117 4.112 4.120 -0.209 0.000 0.282 38 V C -1.325 174.557 176.094 -0.354 0.000 0.993 38 V CA -1.014 61.141 62.300 -0.242 0.000 0.986 38 V CB 1.266 32.860 31.823 -0.382 0.000 1.249 38 V HN -0.293 7.911 8.190 0.023 0.000 0.423 39 S N -1.410 113.872 115.700 -0.698 0.000 2.563 39 S HA 0.152 4.382 4.470 -0.401 0.000 0.279 39 S C -0.967 173.145 174.600 -0.814 0.000 1.155 39 S CA -0.399 57.473 58.200 -0.548 0.000 0.928 39 S CB 1.659 64.703 63.200 -0.260 0.000 1.107 39 S HN -0.187 7.488 8.310 -1.058 0.000 0.462 40 F N 6.811 126.748 119.950 -0.023 0.000 2.761 40 F HA 0.483 4.985 4.527 -0.042 0.000 0.367 40 F C -0.740 175.046 175.800 -0.024 0.000 1.386 40 F CA -0.430 57.551 58.000 -0.030 0.000 1.177 40 F CB 0.644 39.628 39.000 -0.027 0.000 1.092 40 F HN 0.467 8.688 8.300 -0.132 0.000 0.517 41 G N 1.386 110.216 108.800 0.051 0.000 2.565 41 G HA2 -0.084 3.903 3.960 0.044 0.000 0.142 41 G HA3 -0.084 3.906 3.960 0.050 0.000 0.142 41 G C -1.641 173.258 174.900 -0.002 0.000 1.181 41 G CA 0.625 45.748 45.100 0.037 0.000 1.066 41 G HN -0.707 7.566 8.290 -0.029 0.000 0.530 42 D N 0.102 120.504 120.400 0.004 0.000 2.088 42 D HA -0.196 4.441 4.640 -0.006 0.000 0.196 42 D C 0.872 177.166 176.300 -0.010 0.000 0.983 42 D CA 1.061 55.060 54.000 -0.001 0.000 0.846 42 D CB 0.094 40.900 40.800 0.010 0.000 0.992 42 D HN -0.264 8.116 8.370 0.016 0.000 0.448 43 K N 2.194 122.595 120.400 0.001 0.000 2.160 43 K HA -0.152 4.180 4.320 0.021 0.000 0.263 43 K C -0.715 175.880 176.600 -0.009 0.000 1.120 43 K CA -0.032 56.261 56.287 0.011 0.000 1.115 43 K CB -0.156 32.360 32.500 0.026 0.000 0.971 43 K HN -0.091 8.164 8.250 0.009 0.000 0.400 44 K N 6.852 127.237 120.400 -0.026 0.000 2.201 44 K HA 0.134 4.383 4.320 -0.119 0.000 0.278 44 K C -0.897 175.654 176.600 -0.082 0.000 1.027 44 K CA -0.540 55.690 56.287 -0.095 0.000 0.909 44 K CB 0.643 33.060 32.500 -0.138 0.000 1.062 44 K HN 0.049 8.289 8.250 -0.017 0.000 0.465 45 V N -0.666 119.177 119.914 -0.118 0.000 3.184 45 V HA 0.320 4.542 4.120 0.170 0.000 0.308 45 V C -1.850 174.129 176.094 -0.193 0.000 1.243 45 V CA -2.188 60.127 62.300 0.025 0.000 1.058 45 V CB 2.455 34.378 31.823 0.167 0.000 1.183 45 V HN -0.033 8.057 8.190 -0.167 0.000 0.471 46 F N -2.746 117.326 119.950 0.204 0.000 2.551 46 F HA 0.234 4.726 4.527 -0.059 0.000 0.316 46 F C -1.842 173.999 175.800 0.067 0.000 1.089 46 F CA -1.179 56.877 58.000 0.094 0.000 0.915 46 F CB 4.474 43.650 39.000 0.294 0.000 1.186 46 F HN 0.050 8.703 8.300 0.589 0.000 0.456 47 N N -0.058 118.599 118.700 -0.071 0.000 2.229 47 N HA 0.559 5.640 4.740 0.339 -0.138 0.298 47 N C -1.674 173.640 175.510 -0.327 0.000 1.114 47 N CA -0.699 52.354 53.050 0.005 0.000 0.776 47 N CB 4.001 42.456 38.487 -0.052 0.000 1.501 47 N HN -0.031 8.210 8.380 -0.231 0.000 0.474 48 Y N -0.370 120.224 120.300 0.491 0.000 2.524 48 Y HA 0.678 5.581 4.550 0.284 -0.183 0.347 48 Y C 0.100 176.352 175.900 0.587 0.000 1.005 48 Y CA -1.636 56.708 58.100 0.406 0.000 1.025 48 Y CB 4.823 43.459 38.460 0.294 0.000 1.275 48 Y HN 1.201 9.826 8.280 0.751 0.107 0.460 49 T N 5.408 120.301 114.554 0.564 0.000 2.767 49 T HA 0.551 5.450 4.350 0.571 -0.207 0.284 49 T C -0.893 174.000 174.700 0.321 0.000 0.973 49 T CA -0.197 62.196 62.100 0.489 0.000 0.996 49 T CB 1.306 70.410 68.868 0.393 0.000 0.927 49 T HN 0.469 9.008 8.240 0.426 -0.043 0.456 50 L N 6.528 127.905 121.223 0.257 0.000 2.428 50 L HA 0.044 4.429 4.340 0.075 0.000 0.190 50 L C 0.325 177.225 176.870 0.050 0.000 1.255 50 L CA 1.266 56.168 54.840 0.103 0.000 0.848 50 L CB 0.813 42.858 42.059 -0.023 0.000 1.088 50 L HN -0.056 8.351 8.230 0.296 0.000 0.500 51 N N -0.632 118.095 118.700 0.044 0.000 2.508 51 N HA -0.034 4.712 4.740 0.010 0.000 0.186 51 N C 0.423 175.961 175.510 0.046 0.000 1.034 51 N CA 1.593 54.656 53.050 0.022 0.000 0.885 51 N CB 1.535 40.016 38.487 -0.010 0.000 1.135 51 N HN 0.408 9.207 8.380 0.069 -0.378 0.435 52 G N -2.271 106.567 108.800 0.064 0.000 4.250 52 G HA2 0.088 4.099 3.960 0.085 0.000 0.242 52 G HA3 0.088 4.076 3.960 0.047 0.000 0.242 52 G C -1.273 173.666 174.900 0.065 0.000 1.075 52 G CA 0.072 45.213 45.100 0.068 0.000 0.846 52 G HN 0.281 8.614 8.290 0.073 0.000 0.445 53 E N -0.431 119.818 120.200 0.082 0.000 2.259 53 E HA 0.291 4.586 4.350 -0.093 0.000 0.257 53 E C -1.129 175.422 176.600 -0.082 0.000 0.998 53 E CA -2.369 54.029 56.400 -0.003 0.000 0.866 53 E CB 1.497 31.247 29.700 0.083 0.000 1.220 53 E HN -0.425 8.010 8.360 0.126 0.000 0.415 54 Q N -0.638 118.862 119.800 -0.500 0.000 2.296 54 Q HA 0.255 4.003 4.340 -0.986 0.000 0.257 54 Q C -1.133 174.521 176.000 -0.577 0.000 0.942 54 Q CA -0.130 55.026 55.803 -1.078 0.000 0.939 54 Q CB 0.879 28.385 28.738 -2.053 0.000 1.198 54 Q HN 0.266 8.238 8.270 -0.497 0.000 0.429 55 Y N 5.059 125.329 120.300 -0.051 0.000 2.512 55 Y HA 0.861 5.703 4.550 0.135 -0.211 0.348 55 Y C -1.261 174.944 175.900 0.510 0.000 0.990 55 Y CA -1.684 56.554 58.100 0.231 0.000 1.033 55 Y CB 4.490 43.115 38.460 0.275 0.000 1.259 55 Y HN 0.566 9.082 8.280 0.394 0.000 0.461 56 S N -0.551 115.529 115.700 0.633 0.000 2.643 56 S HA 0.463 5.514 4.470 0.790 -0.107 0.270 56 S C -2.285 172.710 174.600 0.658 0.000 1.166 56 S CA -0.766 57.829 58.200 0.659 0.000 0.815 56 S CB 3.024 66.521 63.200 0.495 0.000 1.139 56 S HN 0.710 9.328 8.310 0.514 0.000 0.472 57 F N 2.527 122.770 119.950 0.487 0.000 2.405 57 F HA 0.664 5.544 4.527 0.241 -0.208 0.355 57 F C -0.886 175.041 175.800 0.212 0.000 1.121 57 F CA -0.383 57.827 58.000 0.349 0.000 1.112 57 F CB 2.107 41.406 39.000 0.498 0.000 1.126 57 F HN -0.178 8.582 8.300 0.767 0.000 0.481 58 D N 6.006 126.199 120.400 -0.346 0.000 2.752 58 D HA 0.320 4.783 4.640 -0.295 0.000 0.313 58 D C -2.021 173.972 176.300 -0.513 0.000 1.225 58 D CA -2.138 51.667 54.000 -0.326 0.000 0.976 58 D CB 0.394 41.156 40.800 -0.064 0.000 1.443 58 D HN -0.347 7.738 8.370 -0.476 0.000 0.515 59 P HA 0.282 4.492 4.420 -0.350 0.000 0.220 59 P C -0.671 176.507 177.300 -0.203 0.000 1.806 59 P CA -0.658 62.286 63.100 -0.259 0.000 0.976 59 P CB -1.915 29.712 31.700 -0.122 0.000 1.952 60 I N -1.062 119.367 120.570 -0.235 0.000 3.055 60 I HA -0.204 3.895 4.170 -0.119 0.000 0.308 60 I C 0.029 176.083 176.117 -0.106 0.000 1.224 60 I CA 0.883 62.094 61.300 -0.149 0.000 1.443 60 I CB 0.451 38.371 38.000 -0.134 0.000 1.318 60 I HN -0.206 7.725 8.210 -0.337 0.076 0.577 61 S N 3.134 118.793 115.700 -0.068 0.000 2.589 61 S HA 0.066 4.502 4.470 -0.056 0.000 0.265 61 S C -0.062 174.514 174.600 -0.039 0.000 1.342 61 S CA -0.957 57.213 58.200 -0.049 0.000 1.005 61 S CB 0.085 63.265 63.200 -0.033 0.000 0.909 61 S HN 0.298 8.573 8.310 -0.057 0.000 0.555 62 P HA 0.002 4.396 4.420 -0.043 0.000 0.241 62 P C 0.515 177.816 177.300 0.002 0.000 1.191 62 P CA 0.799 63.882 63.100 -0.028 0.000 0.771 62 P CB 0.116 31.797 31.700 -0.031 0.000 0.929 63 D N -0.517 119.890 120.400 0.013 0.000 2.248 63 D HA -0.338 4.316 4.640 0.025 0.000 0.189 63 D C 1.074 177.416 176.300 0.070 0.000 1.011 63 D CA 3.038 57.057 54.000 0.032 0.000 0.868 63 D CB -0.679 40.137 40.800 0.026 0.000 0.931 63 D HN 0.333 8.651 8.370 0.001 0.053 0.449 64 A N -2.581 120.306 122.820 0.111 0.000 1.924 64 A HA -0.008 4.423 4.320 0.185 0.000 0.211 64 A C 1.517 179.244 177.584 0.237 0.000 1.198 64 A CA 1.980 54.138 52.037 0.203 0.000 0.657 64 A CB 0.348 19.523 19.000 0.293 0.000 0.852 64 A HN 0.062 8.269 8.150 0.095 0.000 0.454 65 V N -1.351 118.635 119.914 0.121 0.000 2.488 65 V HA -0.202 3.870 4.120 -0.081 0.000 0.246 65 V C 0.192 176.262 176.094 -0.041 0.000 1.046 65 V CA 1.810 64.089 62.300 -0.035 0.000 1.053 65 V CB 0.502 32.231 31.823 -0.157 0.000 0.679 65 V HN -0.531 7.708 8.190 0.082 0.000 0.458 66 V N 0.139 120.045 119.914 -0.013 0.000 2.071 66 V HA -0.087 4.016 4.120 -0.028 0.000 0.254 66 V C -0.736 175.372 176.094 0.023 0.000 1.456 66 V CA 0.472 62.765 62.300 -0.011 0.000 1.383 66 V CB -2.261 29.550 31.823 -0.021 0.000 1.433 66 V HN -0.074 8.116 8.190 0.000 0.000 0.499 67 T N 0.992 115.574 114.554 0.047 0.000 3.409 67 T HA 0.246 4.626 4.350 0.050 0.000 0.188 67 T C -0.314 174.423 174.700 0.061 0.000 0.929 67 T CA -0.566 61.573 62.100 0.066 0.000 1.184 67 T CB 1.840 70.772 68.868 0.106 0.000 1.570 67 T HN -0.230 7.978 8.240 0.043 0.057 0.367 68 T N -2.683 111.923 114.554 0.087 0.000 2.787 68 T HA 0.342 4.723 4.350 0.052 0.000 0.297 68 T C -0.683 174.081 174.700 0.106 0.000 1.221 68 T CA -2.407 59.739 62.100 0.077 0.000 1.006 68 T CB 3.351 72.266 68.868 0.077 0.000 1.328 68 T HN -0.514 7.802 8.240 0.125 0.000 0.509 69 N N 0.997 119.751 118.700 0.090 0.000 2.080 69 N HA -0.175 4.634 4.740 0.115 0.000 0.189 69 N C 1.820 177.436 175.510 0.177 0.000 1.036 69 N CA 2.148 55.267 53.050 0.115 0.000 0.846 69 N CB 0.171 38.703 38.487 0.076 0.000 1.015 69 N HN -0.009 8.412 8.380 0.068 0.000 0.423 70 I N -0.423 120.239 120.570 0.154 0.000 2.121 70 I HA -0.631 3.668 4.170 0.216 0.000 0.243 70 I C 1.587 177.852 176.117 0.246 0.000 1.047 70 I CA 3.963 65.379 61.300 0.194 0.000 1.308 70 I CB -0.247 37.841 38.000 0.147 0.000 1.015 70 I HN -0.144 8.138 8.210 0.119 0.000 0.410 71 A N -2.726 120.213 122.820 0.198 0.000 1.933 71 A HA -0.224 4.186 4.320 0.150 0.000 0.218 71 A C 1.517 179.229 177.584 0.214 0.000 1.175 71 A CA 2.491 54.637 52.037 0.181 0.000 0.628 71 A CB -0.410 18.677 19.000 0.144 0.000 0.814 71 A HN -0.459 7.790 8.150 0.165 0.000 0.444 72 W N -0.874 120.470 121.300 0.074 0.000 2.481 72 W HA -0.168 4.527 4.660 0.058 0.000 0.293 72 W C 1.752 178.289 176.519 0.031 0.000 1.201 72 W CA 2.960 60.338 57.345 0.055 0.000 1.328 72 W CB 0.905 30.394 29.460 0.049 0.000 1.112 72 W HN -0.592 7.818 8.180 0.384 0.000 0.546 73 Q N -2.096 117.862 119.800 0.264 0.000 2.443 73 Q HA -0.267 4.186 4.340 0.188 0.000 0.213 73 Q C 0.907 176.718 176.000 -0.315 0.000 0.982 73 Q CA 2.259 58.070 55.803 0.014 0.000 0.894 73 Q CB -0.256 28.416 28.738 -0.111 0.000 0.947 73 Q HN -0.004 8.461 8.270 0.325 0.000 0.480 74 Y N -5.825 114.384 120.300 -0.152 0.000 2.612 74 Y HA 0.104 4.477 4.550 -0.295 0.000 0.250 74 Y C -0.898 174.800 175.900 -0.337 0.000 1.175 74 Y CA -0.799 57.156 58.100 -0.242 0.000 1.205 74 Y CB 0.008 38.374 38.460 -0.157 0.000 1.201 74 Y HN -0.624 7.683 8.280 0.131 0.052 0.532 75 S N 0.544 116.060 115.700 -0.307 0.000 2.693 75 S HA 0.070 4.406 4.470 -0.223 0.000 0.276 75 S C 0.673 175.004 174.600 -0.449 0.000 1.192 75 S CA -1.173 56.812 58.200 -0.359 0.000 0.994 75 S CB 2.744 65.685 63.200 -0.432 0.000 1.012 75 S HN -0.413 7.548 8.310 -0.414 0.101 0.550 76 D N 1.389 121.575 120.400 -0.357 0.000 2.182 76 D HA -0.257 4.158 4.640 -0.375 0.000 0.201 76 D C 1.958 177.908 176.300 -0.583 0.000 0.986 76 D CA 4.453 58.209 54.000 -0.407 0.000 0.847 76 D CB -0.251 40.373 40.800 -0.294 0.000 0.942 76 D HN 0.529 8.747 8.370 -0.253 0.000 0.467 77 V N -1.283 118.301 119.914 -0.550 0.000 2.427 77 V HA -0.472 3.399 4.120 -0.415 0.000 0.248 77 V C 1.405 177.182 176.094 -0.529 0.000 1.051 77 V CA 3.652 65.702 62.300 -0.416 0.000 1.048 77 V CB -0.322 31.450 31.823 -0.084 0.000 0.666 77 V HN -0.880 6.989 8.190 -0.485 0.030 0.456 78 N N 0.154 118.221 118.700 -1.054 0.000 2.120 78 N HA -0.352 3.829 4.740 -0.931 0.000 0.188 78 N C 1.856 177.169 175.510 -0.329 0.000 1.024 78 N CA 3.654 56.148 53.050 -0.927 0.000 0.852 78 N CB 0.146 38.004 38.487 -1.049 0.000 1.003 78 N HN -0.635 6.961 8.380 -1.173 0.081 0.424 79 V N 0.337 120.042 119.914 -0.349 0.000 2.343 79 V HA -0.547 3.689 4.120 0.192 0.000 0.247 79 V C 1.969 177.958 176.094 -0.175 0.000 1.051 79 V CA 4.146 66.374 62.300 -0.120 0.000 1.036 79 V CB -0.050 31.669 31.823 -0.172 0.000 0.654 79 V HN -0.520 7.304 8.190 -0.485 0.074 0.451 80 V N -0.172 119.473 119.914 -0.449 0.000 2.255 80 V HA -0.632 2.978 4.120 -0.849 0.000 0.247 80 V C 1.548 177.130 176.094 -0.852 0.000 1.051 80 V CA 4.450 66.302 62.300 -0.747 0.000 1.018 80 V CB -0.471 30.896 31.823 -0.761 0.000 0.641 80 V HN -0.468 7.425 8.190 -0.496 0.000 0.445 81 A N -0.344 122.029 122.820 -0.746 0.000 1.883 81 A HA -0.363 3.294 4.320 -1.106 0.000 0.217 81 A C 2.240 179.725 177.584 -0.166 0.000 1.186 81 A CA 3.234 54.982 52.037 -0.481 0.000 0.624 81 A CB -0.681 18.495 19.000 0.293 0.000 0.822 81 A HN -0.125 7.715 8.150 -0.517 0.000 0.444 82 V N -1.431 118.402 119.914 -0.136 0.000 2.295 82 V HA -0.626 3.396 4.120 -0.163 0.000 0.246 82 V C 2.244 178.128 176.094 -0.351 0.000 1.049 82 V CA 4.877 67.031 62.300 -0.243 0.000 1.024 82 V CB -0.169 31.417 31.823 -0.396 0.000 0.648 82 V HN -0.112 8.027 8.190 -0.084 0.000 0.447 83 H N -1.973 116.959 119.070 -0.230 0.000 2.423 83 H HA -0.263 4.177 4.556 -0.193 0.000 0.297 83 H C 2.518 177.737 175.328 -0.182 0.000 1.075 83 H CA 3.332 59.264 56.048 -0.193 0.000 1.342 83 H CB -0.077 29.599 29.762 -0.143 0.000 1.395 83 H HN -0.810 7.324 8.280 -0.244 0.000 0.530 84 H N 1.597 120.498 119.070 -0.281 0.000 2.353 84 H HA -0.290 4.083 4.556 -0.305 0.000 0.300 84 H C 1.709 176.913 175.328 -0.206 0.000 1.090 84 H CA 3.607 59.477 56.048 -0.296 0.000 1.327 84 H CB 0.666 30.203 29.762 -0.374 0.000 1.383 84 H HN 0.195 8.334 8.280 -0.234 0.000 0.508 85 A N -1.031 121.781 122.820 -0.012 0.000 1.940 85 A HA -0.232 4.201 4.320 0.188 0.000 0.219 85 A C 2.239 179.760 177.584 -0.105 0.000 1.176 85 A CA 3.182 55.245 52.037 0.044 0.000 0.631 85 A CB -0.514 18.524 19.000 0.065 0.000 0.814 85 A HN 0.187 8.340 8.150 0.004 0.000 0.446 86 L N -4.768 116.246 121.223 -0.347 0.000 2.291 86 L HA -0.161 3.784 4.340 -0.657 0.000 0.214 86 L C 1.858 178.523 176.870 -0.341 0.000 1.120 86 L CA 2.113 56.572 54.840 -0.634 0.000 0.799 86 L CB -0.285 40.974 42.059 -1.333 0.000 0.925 86 L HN -0.713 7.308 8.230 -0.348 0.000 0.446 87 L N -3.213 117.892 121.223 -0.196 0.000 2.354 87 L HA -0.088 4.330 4.340 0.131 0.000 0.212 87 L C 2.133 178.909 176.870 -0.157 0.000 1.091 87 L CA 1.896 56.669 54.840 -0.112 0.000 0.828 87 L CB 0.054 41.895 42.059 -0.365 0.000 0.973 87 L HN -0.419 7.482 8.230 -0.281 0.160 0.461 88 T N -3.494 110.909 114.554 -0.252 0.000 2.985 88 T HA -0.253 4.120 4.350 0.040 0.000 0.266 88 T C 1.367 176.045 174.700 -0.036 0.000 1.076 88 T CA 3.011 65.094 62.100 -0.028 0.000 1.135 88 T CB 0.125 69.067 68.868 0.124 0.000 0.890 88 T HN 0.041 7.999 8.240 -0.324 0.088 0.480 89 S N 1.455 116.972 115.700 -0.306 0.000 2.357 89 S HA -0.164 3.977 4.470 -0.549 0.000 0.221 89 S C 1.132 175.655 174.600 -0.128 0.000 1.031 89 S CA 0.773 58.706 58.200 -0.445 0.000 0.982 89 S CB 0.813 63.730 63.200 -0.472 0.000 0.853 89 S HN -0.390 7.768 8.310 -0.253 0.000 0.458 90 G N 1.980 110.741 108.800 -0.065 0.000 2.309 90 G HA2 -0.315 3.704 3.960 0.098 0.000 0.183 90 G HA3 -0.315 3.672 3.960 0.045 0.000 0.183 90 G C -0.796 174.149 174.900 0.075 0.000 1.063 90 G CA -0.306 44.822 45.100 0.046 0.000 0.768 90 G HN -0.513 7.601 8.290 -0.118 0.105 0.490 91 L N -0.023 121.258 121.223 0.096 0.000 2.466 91 L HA 0.269 4.647 4.340 0.063 0.000 0.257 91 L C -1.241 175.770 176.870 0.235 0.000 1.189 91 L CA -2.321 52.594 54.840 0.124 0.000 0.813 91 L CB 0.031 42.037 42.059 -0.088 0.000 1.118 91 L HN -0.371 7.879 8.230 0.033 0.000 0.471 92 P HA 0.062 4.473 4.420 -0.016 0.000 0.271 92 P C -0.897 176.336 177.300 -0.112 0.000 1.380 92 P CA -0.556 62.557 63.100 0.022 0.000 0.992 92 P CB -1.124 30.590 31.700 0.023 0.000 1.230 93 V N 7.204 126.849 119.914 -0.448 0.000 2.568 93 V HA -0.345 2.301 4.120 -2.456 0.000 0.270 93 V C -0.639 175.118 176.094 -0.561 0.000 0.963 93 V CA 1.858 63.529 62.300 -1.049 0.000 1.161 93 V CB -1.095 30.250 31.823 -0.797 0.000 0.969 93 V HN -0.021 7.980 8.190 -0.314 0.000 0.464 94 S N 5.940 121.383 115.700 -0.429 0.000 5.515 94 S HA 0.110 4.487 4.470 -0.155 0.000 0.145 94 S C -0.477 174.121 174.600 -0.004 0.000 1.350 94 S CA -0.039 58.076 58.200 -0.142 0.000 1.034 94 S CB 1.006 64.165 63.200 -0.069 0.000 2.011 94 S HN -0.394 7.624 8.310 -0.488 0.000 0.655 95 E N 3.434 123.674 120.200 0.066 0.000 2.283 95 E HA 0.472 5.012 4.350 0.076 -0.144 0.267 95 E C -0.125 176.573 176.600 0.162 0.000 1.045 95 E CA -0.688 55.765 56.400 0.089 0.000 0.884 95 E CB 1.895 31.616 29.700 0.035 0.000 1.106 95 E HN 0.009 8.400 8.360 0.052 0.000 0.408 96 V N -6.051 113.908 119.914 0.074 0.000 3.130 96 V HA 0.581 4.782 4.120 -0.067 -0.121 0.310 96 V C -2.075 173.966 176.094 -0.089 0.000 1.158 96 V CA -2.945 59.318 62.300 -0.062 0.000 1.029 96 V CB 3.332 35.031 31.823 -0.207 0.000 1.057 96 V HN 0.495 8.628 8.190 0.062 0.095 0.436 97 D N 0.473 120.789 120.400 -0.140 0.000 2.457 97 D HA 0.763 5.433 4.640 -0.139 -0.114 0.240 97 D C -0.929 175.221 176.300 -0.249 0.000 1.041 97 D CA -0.627 53.277 54.000 -0.161 0.000 0.861 97 D CB 4.154 44.873 40.800 -0.134 0.000 1.394 97 D HN 0.074 8.273 8.370 -0.162 0.073 0.473 98 I N -5.313 115.093 120.570 -0.274 0.000 2.892 98 I HA 1.120 5.300 4.170 -0.377 -0.237 0.306 98 I C -2.033 173.891 176.117 -0.321 0.000 1.078 98 I CA -2.866 58.230 61.300 -0.341 0.000 1.032 98 I CB 4.318 42.073 38.000 -0.409 0.000 1.229 98 I HN 0.645 8.720 8.210 -0.224 0.000 0.435 99 V N 1.352 121.058 119.914 -0.346 0.000 2.435 99 V HA 0.626 4.865 4.120 -0.154 -0.212 0.290 99 V C -0.203 175.825 176.094 -0.111 0.000 1.030 99 V CA -1.552 60.631 62.300 -0.196 0.000 0.881 99 V CB 1.270 33.019 31.823 -0.125 0.000 0.983 99 V HN -0.254 7.707 8.190 -0.381 0.000 0.445 100 C N 3.707 122.977 119.300 -0.050 0.000 2.848 100 C HA 1.272 5.978 4.460 -0.007 -0.249 0.317 100 C C -0.704 174.319 174.990 0.056 0.000 1.260 100 C CA -4.053 54.965 59.018 -0.000 0.000 1.656 100 C CB 4.451 32.203 27.740 0.020 0.000 2.174 100 C HN 0.861 9.074 8.230 -0.029 0.000 0.479 101 T N -1.371 113.223 114.554 0.067 0.000 2.856 101 T HA 0.891 5.495 4.350 0.069 -0.213 0.283 101 T C -0.765 173.954 174.700 0.031 0.000 1.008 101 T CA -2.098 60.039 62.100 0.061 0.000 0.997 101 T CB 2.136 71.041 68.868 0.062 0.000 0.992 101 T HN 0.995 9.738 8.240 0.078 -0.456 0.454 102 L N 1.867 123.121 121.223 0.053 0.000 2.342 102 L HA 0.582 4.862 4.340 -0.100 0.000 0.271 102 L C -2.441 174.476 176.870 0.077 0.000 1.008 102 L CA -3.160 51.702 54.840 0.036 0.000 0.818 102 L CB 3.038 45.210 42.059 0.189 0.000 1.296 102 L HN 0.623 8.906 8.230 0.087 0.000 0.427 103 P HA 0.097 4.572 4.420 0.092 0.000 0.272 103 P C -0.063 177.341 177.300 0.173 0.000 1.230 103 P CA -0.092 63.074 63.100 0.111 0.000 0.788 103 P CB 0.516 32.283 31.700 0.111 0.000 0.949 104 L N 0.001 121.327 121.223 0.171 0.000 2.209 104 L HA -0.178 4.368 4.340 0.343 0.000 0.207 104 L C 1.908 178.932 176.870 0.257 0.000 1.094 104 L CA 2.767 57.760 54.840 0.256 0.000 0.790 104 L CB -0.149 42.034 42.059 0.207 0.000 0.932 104 L HN 0.491 9.081 8.230 0.132 -0.281 0.447 105 T N -1.144 113.504 114.554 0.156 0.000 2.685 105 T HA -0.457 3.948 4.350 0.093 0.000 0.268 105 T C 1.422 176.203 174.700 0.136 0.000 1.034 105 T CA 3.869 66.036 62.100 0.112 0.000 1.149 105 T CB -0.158 68.748 68.868 0.063 0.000 0.860 105 T HN 0.140 8.872 8.240 0.124 -0.418 0.449 106 E N -1.027 119.274 120.200 0.168 0.000 2.122 106 E HA -0.154 4.272 4.350 0.128 0.000 0.190 106 E C 0.697 177.387 176.600 0.150 0.000 0.977 106 E CA 1.705 58.208 56.400 0.172 0.000 0.820 106 E CB 0.078 29.938 29.700 0.267 0.000 0.770 106 E HN 0.065 8.531 8.360 0.176 0.000 0.462 107 Y N -1.897 118.413 120.300 0.018 0.000 2.184 107 Y HA -0.331 4.128 4.550 -0.151 0.000 0.290 107 Y C -0.718 175.004 175.900 -0.297 0.000 1.129 107 Y CA 3.501 61.499 58.100 -0.171 0.000 1.144 107 Y CB 2.005 40.328 38.460 -0.230 0.000 0.995 107 Y HN -0.595 7.872 8.280 0.312 0.000 0.513 108 Y N -5.391 115.089 120.300 0.299 0.000 2.364 108 Y HA 0.281 5.168 4.550 0.217 -0.207 0.340 108 Y C -0.723 175.244 175.900 0.112 0.000 0.975 108 Y CA -1.599 56.625 58.100 0.207 0.000 1.089 108 Y CB 2.506 41.072 38.460 0.177 0.000 1.192 108 Y HN -0.286 8.130 8.280 0.403 0.106 0.454 109 D N 2.299 122.839 120.400 0.232 0.000 2.315 109 D HA -0.006 4.697 4.640 0.105 0.000 0.275 109 D C 1.963 178.326 176.300 0.105 0.000 1.218 109 D CA -0.850 53.227 54.000 0.129 0.000 1.040 109 D CB 1.081 41.933 40.800 0.087 0.000 1.123 109 D HN 0.308 8.765 8.370 0.241 0.058 0.541 110 R N -1.384 119.155 120.500 0.066 0.000 2.117 110 R HA -0.310 4.051 4.340 0.035 0.000 0.243 110 R C 0.192 176.522 176.300 0.050 0.000 1.143 110 R CA 2.812 58.939 56.100 0.046 0.000 0.968 110 R CB -0.253 30.067 30.300 0.033 0.000 0.863 110 R HN 0.311 8.615 8.270 0.057 0.000 0.444 111 N N -4.018 114.721 118.700 0.065 0.000 2.336 111 N HA -0.012 4.757 4.740 0.048 0.000 0.189 111 N C -1.365 174.195 175.510 0.083 0.000 1.113 111 N CA -0.259 52.829 53.050 0.064 0.000 0.858 111 N CB -0.502 38.023 38.487 0.064 0.000 0.970 111 N HN -0.133 8.792 8.380 0.075 -0.500 0.471 112 N N -3.741 115.028 118.700 0.114 0.000 2.738 112 N HA -0.492 4.550 4.740 0.228 -0.165 0.249 112 N C -1.702 173.973 175.510 0.275 0.000 1.047 112 N CA 1.030 54.173 53.050 0.156 0.000 0.707 112 N CB -1.397 37.111 38.487 0.034 0.000 0.937 112 N HN -0.075 8.164 8.380 0.111 0.208 0.545 113 Q N -2.695 117.295 119.800 0.316 0.000 2.306 113 Q HA 0.610 5.189 4.340 0.398 0.000 0.265 113 Q C -2.013 174.167 176.000 0.300 0.000 1.022 113 Q CA -2.626 53.373 55.803 0.328 0.000 0.853 113 Q CB 1.857 30.695 28.738 0.167 0.000 1.327 113 Q HN 0.261 9.166 8.270 0.226 -0.499 0.449 114 P HA 0.560 5.005 4.420 -0.286 -0.196 0.281 114 P C -0.985 176.215 177.300 -0.166 0.000 1.264 114 P CA -1.449 61.602 63.100 -0.083 0.000 0.824 114 P CB 1.605 33.323 31.700 0.029 0.000 1.092 115 N N 0.414 118.881 118.700 -0.388 0.000 2.461 115 N HA 0.190 4.813 4.740 -0.196 0.000 0.284 115 N C -0.119 175.141 175.510 -0.417 0.000 1.049 115 N CA -0.548 52.316 53.050 -0.309 0.000 0.889 115 N CB 2.349 40.708 38.487 -0.214 0.000 1.365 115 N HN -0.105 7.874 8.380 -0.668 0.000 0.499 116 T N 5.958 120.354 114.554 -0.264 0.000 3.055 116 T HA -0.157 4.022 4.350 -0.285 0.000 0.265 116 T C 0.989 175.597 174.700 -0.153 0.000 1.111 116 T CA 3.257 65.229 62.100 -0.213 0.000 1.118 116 T CB 0.313 69.109 68.868 -0.121 0.000 0.909 116 T HN 0.497 8.624 8.240 -0.188 0.000 0.501 117 E N 2.378 122.498 120.200 -0.133 0.000 2.110 117 E HA -0.331 3.971 4.350 -0.080 0.000 0.193 117 E C 2.332 178.876 176.600 -0.094 0.000 0.988 117 E CA 3.285 59.625 56.400 -0.099 0.000 0.804 117 E CB -0.346 29.299 29.700 -0.092 0.000 0.745 117 E HN 0.311 8.646 8.360 -0.140 -0.059 0.458 118 N N -0.686 117.947 118.700 -0.112 0.000 2.223 118 N HA -0.235 4.501 4.740 -0.008 0.000 0.185 118 N C 2.182 177.707 175.510 0.025 0.000 1.016 118 N CA 2.891 55.922 53.050 -0.031 0.000 0.863 118 N CB -0.518 37.949 38.487 -0.033 0.000 0.983 118 N HN 0.263 8.950 8.380 -0.152 -0.398 0.429 119 I N 1.031 121.545 120.570 -0.094 0.000 2.142 119 I HA -0.529 3.642 4.170 0.002 0.000 0.240 119 I C 1.322 177.443 176.117 0.006 0.000 1.078 119 I CA 4.291 65.565 61.300 -0.044 0.000 1.343 119 I CB -0.155 37.789 38.000 -0.093 0.000 1.046 119 I HN -0.780 7.208 8.210 -0.185 0.111 0.405 120 E N -1.871 118.318 120.200 -0.018 0.000 2.153 120 E HA -0.345 4.008 4.350 0.004 0.000 0.194 120 E C 2.446 179.048 176.600 0.004 0.000 0.988 120 E CA 2.525 58.920 56.400 -0.007 0.000 0.811 120 E CB -0.814 28.870 29.700 -0.027 0.000 0.746 120 E HN -0.224 8.108 8.360 -0.048 0.000 0.466 121 R N -0.116 120.389 120.500 0.008 0.000 2.091 121 R HA -0.371 3.944 4.340 -0.042 0.000 0.238 121 R C 2.315 178.671 176.300 0.092 0.000 1.136 121 R CA 3.362 59.469 56.100 0.011 0.000 0.959 121 R CB -0.125 30.144 30.300 -0.052 0.000 0.856 121 R HN 0.204 8.471 8.270 -0.005 0.000 0.437 122 K N -1.847 118.647 120.400 0.156 0.000 2.057 122 K HA -0.245 4.067 4.320 -0.013 0.000 0.207 122 K C 2.292 178.918 176.600 0.044 0.000 1.049 122 K CA 2.850 59.176 56.287 0.064 0.000 0.931 122 K CB -0.463 32.091 32.500 0.089 0.000 0.714 122 K HN -0.633 7.721 8.250 0.173 0.000 0.440 123 K N -1.246 119.210 120.400 0.093 0.000 2.097 123 K HA -0.335 4.110 4.320 0.209 0.000 0.206 123 K C 2.419 179.052 176.600 0.055 0.000 1.049 123 K CA 3.406 59.759 56.287 0.110 0.000 0.933 123 K CB -0.326 32.211 32.500 0.062 0.000 0.717 123 K HN -0.749 7.547 8.250 0.076 0.000 0.442 124 A N -1.837 120.982 122.820 -0.002 0.000 1.933 124 A HA -0.244 4.067 4.320 -0.016 0.000 0.218 124 A C 2.523 180.056 177.584 -0.086 0.000 1.175 124 A CA 2.838 54.854 52.037 -0.034 0.000 0.628 124 A CB -0.808 18.165 19.000 -0.046 0.000 0.814 124 A HN 0.347 8.498 8.150 0.001 0.000 0.444 125 N N 0.159 118.751 118.700 -0.179 0.000 2.043 125 N HA -0.260 4.328 4.740 -0.252 0.000 0.193 125 N C 1.587 176.864 175.510 -0.388 0.000 1.037 125 N CA 2.616 55.455 53.050 -0.352 0.000 0.851 125 N CB 0.139 38.295 38.487 -0.550 0.000 1.027 125 N HN -0.411 7.801 8.380 -0.151 0.077 0.422 126 F N -4.893 115.032 119.950 -0.042 0.000 2.712 126 F HA -0.037 4.480 4.527 -0.015 0.000 0.297 126 F C -0.491 175.312 175.800 0.006 0.000 1.278 126 F CA 0.621 58.603 58.000 -0.030 0.000 1.441 126 F CB -1.296 37.660 39.000 -0.073 0.000 1.063 126 F HN -0.388 7.621 8.300 -0.486 0.000 0.511 127 R N -2.733 117.821 120.500 0.091 0.000 2.469 127 R HA 0.237 4.633 4.340 0.093 0.000 0.250 127 R C 0.051 176.374 176.300 0.038 0.000 0.909 127 R CA -1.631 54.509 56.100 0.066 0.000 1.050 127 R CB 1.695 32.014 30.300 0.030 0.000 1.256 127 R HN -0.211 7.924 8.270 0.001 0.136 0.550 128 K N 1.065 121.473 120.400 0.013 0.000 2.494 128 K HA -0.213 4.101 4.320 -0.010 0.000 0.273 128 K C -0.176 176.432 176.600 0.014 0.000 0.970 128 K CA 1.503 57.787 56.287 -0.004 0.000 0.963 128 K CB 0.254 32.727 32.500 -0.044 0.000 0.913 128 K HN -0.632 7.613 8.250 -0.008 0.000 0.502 129 K N 1.990 122.395 120.400 0.009 0.000 2.765 129 K HA 0.078 4.403 4.320 0.008 0.000 0.246 129 K C -0.750 175.861 176.600 0.017 0.000 1.254 129 K CA -0.965 55.329 56.287 0.013 0.000 1.219 129 K CB -1.577 30.935 32.500 0.019 0.000 1.747 129 K HN 0.350 8.604 8.250 0.006 0.000 0.372 130 I N 3.142 123.705 120.570 -0.013 0.000 2.533 130 I HA -0.032 4.499 4.170 0.057 -0.326 0.284 130 I C -0.321 175.803 176.117 0.012 0.000 1.109 130 I CA -0.125 61.171 61.300 -0.008 0.000 1.412 130 I CB 0.997 38.934 38.000 -0.105 0.000 1.396 130 I HN -0.470 7.661 8.210 -0.029 0.062 0.543 131 T N 8.618 123.239 114.554 0.113 0.000 2.794 131 T HA 0.426 4.809 4.350 0.055 0.000 0.280 131 T C -0.820 174.003 174.700 0.204 0.000 0.987 131 T CA -2.037 60.130 62.100 0.112 0.000 0.993 131 T CB 1.916 70.838 68.868 0.091 0.000 0.939 131 T HN 0.758 9.098 8.240 0.166 0.000 0.449 132 L N 6.370 127.682 121.223 0.148 0.000 2.433 132 L HA 0.082 4.499 4.340 -0.054 -0.110 0.275 132 L C -0.746 176.099 176.870 -0.042 0.000 1.128 132 L CA -0.360 54.510 54.840 0.049 0.000 0.875 132 L CB 0.615 42.722 42.059 0.080 0.000 1.171 132 L HN -0.006 8.278 8.230 0.090 0.000 0.463 133 N N 8.936 127.562 118.700 -0.123 0.000 3.245 133 N HA -0.017 4.669 4.740 -0.090 0.000 0.296 133 N C -0.599 174.825 175.510 -0.143 0.000 1.254 133 N CA -0.273 52.697 53.050 -0.134 0.000 1.190 133 N CB -1.931 36.420 38.487 -0.226 0.000 1.460 133 N HN 0.524 8.659 8.380 -0.226 0.109 0.538 134 G N 0.628 109.374 108.800 -0.090 0.000 2.761 134 G HA2 -0.065 3.858 3.960 -0.062 0.000 0.230 134 G HA3 -0.065 3.838 3.960 -0.095 0.000 0.230 134 G C -1.454 173.419 174.900 -0.044 0.000 1.659 134 G CA 0.043 45.099 45.100 -0.074 0.000 0.998 134 G HN -0.062 8.114 8.290 -0.067 0.074 0.506 135 G N -1.704 107.075 108.800 -0.036 0.000 2.403 135 G HA2 -0.043 3.894 3.960 -0.038 0.000 0.223 135 G HA3 -0.043 3.908 3.960 -0.016 0.000 0.223 135 G C -3.011 171.867 174.900 -0.037 0.000 1.287 135 G CA 0.108 45.189 45.100 -0.031 0.000 0.982 135 G HN -0.730 7.536 8.290 -0.039 0.000 0.471 136 D N -1.537 118.830 120.400 -0.055 0.000 2.732 136 D HA 0.209 4.830 4.640 -0.032 0.000 0.292 136 D C -1.314 174.942 176.300 -0.073 0.000 1.135 136 D CA -1.050 52.914 54.000 -0.059 0.000 1.071 136 D CB 2.720 43.473 40.800 -0.078 0.000 1.457 136 D HN 0.065 8.392 8.370 -0.073 0.000 0.547 137 T N 1.214 115.723 114.554 -0.074 0.000 2.859 137 T HA 0.237 4.598 4.350 0.018 0.000 0.281 137 T C -0.688 173.978 174.700 -0.056 0.000 1.005 137 T CA -0.481 61.585 62.100 -0.056 0.000 1.025 137 T CB 1.627 70.416 68.868 -0.132 0.000 0.977 137 T HN 0.060 8.259 8.240 -0.068 0.000 0.458 138 F N 5.659 125.620 119.950 0.018 0.000 2.557 138 F HA -0.142 4.527 4.527 0.003 -0.141 0.384 138 F C 0.705 176.553 175.800 0.081 0.000 1.057 138 F CA 1.066 59.094 58.000 0.047 0.000 1.169 138 F CB -0.281 38.755 39.000 0.060 0.000 1.070 138 F HN 0.632 9.200 8.300 0.445 0.000 0.554 139 T N 7.473 122.137 114.554 0.184 0.000 2.738 139 T HA 0.025 4.458 4.350 0.139 0.000 0.294 139 T C -0.459 174.311 174.700 0.118 0.000 0.914 139 T CA 0.444 62.620 62.100 0.127 0.000 1.052 139 T CB 0.275 69.176 68.868 0.055 0.000 0.897 139 T HN 0.780 9.091 8.240 0.118 0.000 0.522 140 I N 9.963 130.610 120.570 0.129 0.000 2.460 140 I HA -0.159 4.196 4.170 -0.033 -0.205 0.297 140 I C 0.245 176.371 176.117 0.015 0.000 1.139 140 I CA 0.854 62.166 61.300 0.020 0.000 1.340 140 I CB -1.599 36.376 38.000 -0.041 0.000 1.444 140 I HN 0.542 8.887 8.210 0.225 0.000 0.557 141 K N 8.386 128.781 120.400 -0.008 0.000 2.025 141 K HA -0.094 4.232 4.320 0.010 0.000 0.211 141 K C 0.420 177.009 176.600 -0.019 0.000 1.029 141 K CA 2.251 58.535 56.287 -0.006 0.000 0.948 141 K CB 0.382 32.877 32.500 -0.009 0.000 0.768 141 K HN 0.439 8.676 8.250 -0.020 0.000 0.446 142 D N -1.508 118.867 120.400 -0.042 0.000 2.253 142 D HA 0.230 4.851 4.640 -0.031 0.000 0.249 142 D C -1.660 174.595 176.300 -0.076 0.000 1.049 142 D CA -0.313 53.657 54.000 -0.050 0.000 0.929 142 D CB 2.067 42.834 40.800 -0.055 0.000 1.176 142 D HN -0.279 8.438 8.370 -0.051 -0.378 0.437 143 V N 1.972 121.851 119.914 -0.060 0.000 2.567 143 V HA 0.365 4.598 4.120 -0.115 -0.183 0.298 143 V C -0.824 175.240 176.094 -0.050 0.000 1.047 143 V CA -1.290 60.972 62.300 -0.064 0.000 0.880 143 V CB 3.455 35.276 31.823 -0.004 0.000 1.009 143 V HN 0.122 8.286 8.190 -0.044 0.000 0.429 144 K N 6.889 127.243 120.400 -0.077 0.000 2.123 144 K HA 0.387 4.694 4.320 -0.021 0.000 0.259 144 K C -1.946 174.647 176.600 -0.011 0.000 0.960 144 K CA -2.200 54.060 56.287 -0.044 0.000 0.872 144 K CB 2.089 34.549 32.500 -0.067 0.000 1.079 144 K HN 0.972 9.036 8.250 -0.125 0.111 0.440 145 V N 2.140 122.074 119.914 0.032 0.000 2.709 145 V HA 0.720 5.079 4.120 0.059 -0.203 0.308 145 V C -0.379 175.784 176.094 0.114 0.000 1.062 145 V CA -1.721 60.621 62.300 0.071 0.000 0.901 145 V CB 2.953 34.825 31.823 0.081 0.000 1.003 145 V HN 0.260 8.473 8.190 0.039 0.000 0.425 146 M N 5.258 124.929 119.600 0.118 0.000 2.727 146 M HA 0.573 5.143 4.480 0.151 0.000 0.300 146 M C -2.810 173.555 176.300 0.109 0.000 1.246 146 M CA -2.822 52.546 55.300 0.114 0.000 0.835 146 M CB 2.942 35.578 32.600 0.059 0.000 1.755 146 M HN 0.732 9.080 8.290 0.097 0.000 0.473 147 P HA 0.123 4.790 4.420 0.070 -0.206 0.274 147 P C -0.845 176.460 177.300 0.008 0.000 1.256 147 P CA -0.771 62.306 63.100 -0.038 0.000 0.795 147 P CB 0.716 32.263 31.700 -0.257 0.000 1.038 148 E N 1.618 121.836 120.200 0.031 0.000 1.998 148 E HA -0.361 4.011 4.350 0.036 0.000 0.196 148 E C 1.812 178.423 176.600 0.019 0.000 1.003 148 E CA 3.908 60.327 56.400 0.032 0.000 0.829 148 E CB -0.103 29.622 29.700 0.042 0.000 0.777 148 E HN 0.506 8.802 8.360 0.048 0.092 0.460 149 S N -1.618 114.093 115.700 0.019 0.000 2.368 149 S HA -0.316 4.157 4.470 0.004 0.000 0.224 149 S C 2.013 176.608 174.600 -0.008 0.000 1.029 149 S CA 2.816 61.021 58.200 0.007 0.000 0.988 149 S CB -0.361 62.848 63.200 0.016 0.000 0.838 149 S HN 0.137 8.467 8.310 0.032 0.000 0.462 150 I N 0.553 121.115 120.570 -0.014 0.000 2.163 150 I HA -0.210 3.943 4.170 -0.028 0.000 0.243 150 I C -0.640 175.474 176.117 -0.004 0.000 1.085 150 I CA 4.638 65.925 61.300 -0.021 0.000 1.347 150 I CB -1.513 36.467 38.000 -0.034 0.000 1.044 150 I HN 0.095 8.297 8.210 -0.013 0.000 0.408 151 P HA -0.099 4.341 4.420 0.032 0.000 0.226 151 P C 0.572 177.889 177.300 0.029 0.000 1.153 151 P CA 2.128 65.236 63.100 0.013 0.000 0.777 151 P CB -1.019 30.677 31.700 -0.007 0.000 0.794 152 A N -2.077 120.751 122.820 0.013 0.000 1.978 152 A HA -0.223 4.106 4.320 0.015 0.000 0.220 152 A C 1.393 178.977 177.584 -0.001 0.000 1.170 152 A CA 2.541 54.583 52.037 0.007 0.000 0.636 152 A CB -0.737 18.258 19.000 -0.008 0.000 0.810 152 A HN -0.652 7.461 8.150 0.004 0.039 0.448 153 G N -3.590 105.204 108.800 -0.009 0.000 2.443 153 G HA2 -0.247 3.647 3.960 -0.110 0.000 0.219 153 G HA3 -0.247 3.682 3.960 -0.051 0.000 0.219 153 G C 0.241 175.119 174.900 -0.038 0.000 1.131 153 G CA 1.048 46.116 45.100 -0.054 0.000 0.775 153 G HN -0.275 7.984 8.290 -0.001 0.030 0.547 154 Y N 2.637 122.878 120.300 -0.097 0.000 1.997 154 Y HA -0.604 3.900 4.550 -0.077 0.000 0.265 154 Y C 0.885 176.723 175.900 -0.103 0.000 1.193 154 Y CA 3.818 61.867 58.100 -0.085 0.000 1.106 154 Y CB 0.084 38.508 38.460 -0.061 0.000 0.940 154 Y HN -0.485 7.746 8.280 0.174 0.154 0.494 155 E N -3.527 116.619 120.200 -0.090 0.000 2.150 155 E HA -0.325 3.815 4.350 -0.349 0.000 0.193 155 E C 1.909 178.364 176.600 -0.243 0.000 0.985 155 E CA 2.434 58.719 56.400 -0.193 0.000 0.814 155 E CB -0.797 28.884 29.700 -0.032 0.000 0.752 155 E HN 0.286 8.723 8.360 0.128 0.000 0.466 156 V N -0.043 119.708 119.914 -0.273 0.000 2.488 156 V HA -0.325 3.572 4.120 -0.370 0.000 0.246 156 V C 1.917 177.804 176.094 -0.346 0.000 1.046 156 V CA 2.902 64.963 62.300 -0.398 0.000 1.053 156 V CB 0.148 31.571 31.823 -0.667 0.000 0.679 156 V HN -0.763 7.290 8.190 -0.228 0.000 0.458 157 L N -1.480 119.570 121.223 -0.289 0.000 2.187 157 L HA -0.460 3.732 4.340 -0.246 0.000 0.213 157 L C 2.247 178.985 176.870 -0.220 0.000 1.100 157 L CA 2.778 57.475 54.840 -0.238 0.000 0.765 157 L CB -0.802 41.150 42.059 -0.178 0.000 0.904 157 L HN 0.390 8.357 8.230 -0.262 0.106 0.437 158 Q N -1.897 117.751 119.800 -0.254 0.000 2.029 158 Q HA -0.396 3.816 4.340 -0.213 0.000 0.209 158 Q C 1.453 177.364 176.000 -0.148 0.000 0.999 158 Q CA 2.910 58.583 55.803 -0.217 0.000 0.857 158 Q CB -0.311 28.284 28.738 -0.239 0.000 0.926 158 Q HN -0.629 7.431 8.270 -0.302 0.029 0.415 159 E N -3.139 116.980 120.200 -0.136 0.000 2.076 159 E HA -0.043 4.265 4.350 -0.070 0.000 0.190 159 E C 0.596 177.150 176.600 -0.076 0.000 0.979 159 E CA 0.050 56.398 56.400 -0.087 0.000 0.807 159 E CB 0.632 30.294 29.700 -0.064 0.000 0.761 159 E HN -0.279 7.985 8.360 -0.160 0.000 0.454 160 L N 0.755 121.906 121.223 -0.120 0.000 2.593 160 L HA -0.246 4.049 4.340 -0.075 0.000 0.287 160 L C -1.274 175.529 176.870 -0.112 0.000 1.243 160 L CA 0.624 55.376 54.840 -0.147 0.000 0.890 160 L CB 0.724 42.608 42.059 -0.293 0.000 1.134 160 L HN -0.917 7.216 8.230 -0.162 0.000 0.502 161 D N 3.886 124.255 120.400 -0.052 0.000 2.472 161 D HA -0.187 4.456 4.640 0.005 0.000 0.248 161 D C 0.635 176.922 176.300 -0.022 0.000 1.174 161 D CA 1.187 55.191 54.000 0.007 0.000 0.883 161 D CB 0.751 41.613 40.800 0.104 0.000 1.149 161 D HN 0.405 8.771 8.370 -0.007 0.000 0.488 162 E N 6.393 126.582 120.200 -0.018 0.000 2.409 162 E HA -0.192 4.214 4.350 -0.036 -0.078 0.198 162 E C 0.195 176.794 176.600 -0.002 0.000 1.024 162 E CA 2.109 58.497 56.400 -0.020 0.000 0.861 162 E CB -0.709 28.980 29.700 -0.018 0.000 0.788 162 E HN 0.569 8.922 8.360 -0.013 0.000 0.521 163 L N -2.259 118.972 121.223 0.014 0.000 2.515 163 L HA 0.062 4.411 4.340 0.016 0.000 0.223 163 L C 0.429 177.322 176.870 0.039 0.000 1.079 163 L CA -0.002 54.851 54.840 0.022 0.000 0.857 163 L CB 0.744 42.816 42.059 0.022 0.000 1.050 163 L HN 0.043 8.587 8.230 0.022 -0.301 0.476 164 D N -1.582 118.857 120.400 0.065 0.000 2.398 164 D HA 0.026 4.727 4.640 0.101 0.000 0.247 164 D C -1.050 175.299 176.300 0.082 0.000 1.227 164 D CA 0.774 54.845 54.000 0.118 0.000 0.980 164 D CB 1.585 42.554 40.800 0.283 0.000 1.106 164 D HN -0.354 8.270 8.370 0.064 -0.215 0.493 165 S N -2.626 113.159 115.700 0.143 0.000 2.503 165 S HA 0.617 5.251 4.470 0.029 -0.146 0.301 165 S C -1.404 173.262 174.600 0.111 0.000 1.087 165 S CA -1.374 56.880 58.200 0.089 0.000 1.042 165 S CB 2.799 66.049 63.200 0.084 0.000 1.043 165 S HN 0.666 9.115 8.310 0.231 0.000 0.489 166 L N 4.726 125.954 121.223 0.009 0.000 2.316 166 L HA 0.375 4.929 4.340 0.097 -0.155 0.280 166 L C -2.438 174.405 176.870 -0.044 0.000 1.006 166 L CA -1.264 53.580 54.840 0.006 0.000 0.836 166 L CB 3.034 45.057 42.059 -0.061 0.000 1.221 166 L HN 1.095 9.187 8.230 -0.021 0.125 0.418 167 L N 8.656 129.837 121.223 -0.070 0.000 2.261 167 L HA 0.521 4.868 4.340 -0.264 -0.165 0.289 167 L C -1.813 174.937 176.870 -0.201 0.000 1.059 167 L CA -1.211 53.502 54.840 -0.211 0.000 0.816 167 L CB 0.222 42.119 42.059 -0.270 0.000 1.191 167 L HN 0.780 8.894 8.230 -0.012 0.109 0.431 168 I N 7.476 127.939 120.570 -0.178 0.000 2.362 168 I HA 0.505 4.815 4.170 -0.117 -0.211 0.289 168 I C -0.316 175.741 176.117 -0.100 0.000 0.994 168 I CA -1.056 60.173 61.300 -0.118 0.000 1.158 168 I CB 1.064 39.019 38.000 -0.074 0.000 1.315 168 I HN 1.064 9.160 8.210 -0.191 0.000 0.451 169 I N 7.682 128.200 120.570 -0.087 0.000 2.411 169 I HA 0.269 4.434 4.170 -0.009 0.000 0.284 169 I C -2.158 173.947 176.117 -0.019 0.000 1.012 169 I CA -1.163 60.112 61.300 -0.042 0.000 1.119 169 I CB 1.814 39.781 38.000 -0.055 0.000 1.261 169 I HN 0.746 8.892 8.210 -0.106 0.000 0.448 170 D N 7.685 128.089 120.400 0.006 0.000 2.277 170 D HA 0.219 4.984 4.640 -0.009 -0.131 0.249 170 D C -1.729 174.583 176.300 0.020 0.000 1.134 170 D CA -0.399 53.604 54.000 0.006 0.000 0.863 170 D CB 2.338 43.142 40.800 0.007 0.000 1.143 170 D HN 0.075 8.460 8.370 0.025 0.000 0.458 171 L N 7.939 129.168 121.223 0.009 0.000 2.280 171 L HA 0.654 5.149 4.340 0.029 -0.137 0.287 171 L C -2.155 174.714 176.870 -0.002 0.000 1.023 171 L CA -1.486 53.362 54.840 0.014 0.000 0.819 171 L CB 2.068 44.136 42.059 0.014 0.000 1.212 171 L HN -0.579 7.649 8.230 -0.003 0.000 0.420 172 G N 4.009 112.808 108.800 -0.002 0.000 2.938 172 G HA2 0.543 4.485 3.960 -0.030 0.000 0.258 172 G HA3 0.543 4.490 3.960 -0.023 0.000 0.258 172 G C -0.722 174.163 174.900 -0.026 0.000 1.356 172 G CA -1.201 43.886 45.100 -0.021 0.000 1.052 172 G HN 0.868 9.064 8.290 0.011 0.100 0.550 173 G N -0.421 108.350 108.800 -0.047 0.000 2.402 173 G HA2 -0.170 3.807 3.960 -0.046 0.000 0.216 173 G HA3 -0.170 3.743 3.960 -0.079 0.000 0.216 173 G C 0.543 175.413 174.900 -0.049 0.000 1.162 173 G CA 2.341 47.407 45.100 -0.057 0.000 0.777 173 G HN 0.138 8.392 8.290 -0.059 0.000 0.539 174 T N -1.412 113.110 114.554 -0.052 0.000 3.082 174 T HA 0.059 4.394 4.350 -0.024 0.000 0.235 174 T C 0.398 175.098 174.700 -0.000 0.000 0.991 174 T CA 1.082 63.163 62.100 -0.032 0.000 1.220 174 T CB 1.208 70.044 68.868 -0.052 0.000 0.909 174 T HN -0.710 7.490 8.240 -0.066 0.000 0.424 175 T N 4.423 118.979 114.554 0.003 0.000 2.902 175 T HA -0.243 4.130 4.350 0.039 0.000 0.301 175 T C -1.631 173.097 174.700 0.047 0.000 1.012 175 T CA 2.751 64.868 62.100 0.029 0.000 1.151 175 T CB 0.418 69.301 68.868 0.026 0.000 0.946 175 T HN -0.006 8.225 8.240 -0.015 0.000 0.542 176 L N 5.977 127.246 121.223 0.077 0.000 3.186 176 L HA 0.545 5.147 4.340 0.109 -0.196 0.317 176 L C -2.401 174.575 176.870 0.177 0.000 1.296 176 L CA -1.261 53.656 54.840 0.127 0.000 0.870 176 L CB 1.702 43.852 42.059 0.151 0.000 1.302 176 L HN 0.282 8.555 8.230 0.072 0.000 0.590 177 D N 0.753 121.230 120.400 0.128 0.000 2.277 177 D HA 0.187 5.034 4.640 0.145 -0.120 0.249 177 D C -1.076 175.327 176.300 0.172 0.000 1.134 177 D CA 0.752 54.834 54.000 0.138 0.000 0.863 177 D CB 0.673 41.532 40.800 0.097 0.000 1.143 177 D HN -0.361 8.066 8.370 0.095 0.000 0.458 178 I N 3.211 123.941 120.570 0.267 0.000 2.545 178 I HA 0.520 4.905 4.170 0.130 -0.137 0.292 178 I C -1.438 174.841 176.117 0.270 0.000 1.040 178 I CA -1.480 59.976 61.300 0.261 0.000 1.068 178 I CB 3.457 41.701 38.000 0.408 0.000 1.251 178 I HN 0.660 8.950 8.210 0.321 0.113 0.424 179 S N 3.760 119.499 115.700 0.066 0.000 2.513 179 S HA 0.540 5.090 4.470 0.132 0.000 0.299 179 S C -1.442 173.085 174.600 -0.122 0.000 1.087 179 S CA -1.646 56.567 58.200 0.022 0.000 1.012 179 S CB 3.030 66.207 63.200 -0.039 0.000 1.044 179 S HN 0.608 8.909 8.310 -0.015 0.000 0.485 180 Q N 6.146 125.916 119.800 -0.051 0.000 2.430 180 Q HA 0.454 4.824 4.340 -0.172 -0.133 0.245 180 Q C -1.585 174.390 176.000 -0.043 0.000 1.021 180 Q CA -1.268 54.484 55.803 -0.086 0.000 0.867 180 Q CB 1.365 30.119 28.738 0.027 0.000 1.210 180 Q HN 0.714 9.045 8.270 0.102 0.000 0.487 181 V N 7.468 127.345 119.914 -0.062 0.000 2.973 181 V HA 0.027 4.113 4.120 -0.057 0.000 0.314 181 V C -1.002 175.068 176.094 -0.039 0.000 1.066 181 V CA -0.656 61.611 62.300 -0.054 0.000 1.021 181 V CB 2.040 33.827 31.823 -0.061 0.000 1.076 181 V HN 1.031 9.175 8.190 -0.077 0.000 0.462 182 M N 0.794 120.373 119.600 -0.035 0.000 2.654 182 M HA 0.589 5.195 4.480 -0.025 -0.141 0.310 182 M C 0.741 177.006 176.300 -0.059 0.000 1.211 182 M CA -3.446 51.835 55.300 -0.032 0.000 0.947 182 M CB 1.691 34.283 32.600 -0.012 0.000 1.647 182 M HN 0.429 8.699 8.290 -0.033 0.000 0.481 183 G N -1.804 106.950 108.800 -0.077 0.000 2.491 183 G HA2 -0.167 3.702 3.960 -0.152 0.000 0.238 183 G HA3 -0.167 3.915 3.960 -0.115 -0.191 0.238 183 G C -0.334 174.517 174.900 -0.082 0.000 1.277 183 G CA 0.235 45.268 45.100 -0.111 0.000 0.851 183 G HN -0.064 8.190 8.290 -0.060 0.000 0.573 184 K N 1.289 121.628 120.400 -0.102 0.000 3.274 184 K HA -0.572 3.778 4.320 -0.119 -0.101 0.305 184 K C -0.571 175.995 176.600 -0.057 0.000 1.225 184 K CA 0.988 57.222 56.287 -0.088 0.000 0.904 184 K CB -1.333 31.126 32.500 -0.069 0.000 1.227 184 K HN 0.223 8.307 8.250 -0.133 0.086 0.453 185 L N -3.327 117.868 121.223 -0.046 0.000 3.678 185 L HA -0.377 4.072 4.340 -0.020 -0.121 0.425 185 L C 0.534 177.402 176.870 -0.002 0.000 1.240 185 L CA 0.385 55.217 54.840 -0.014 0.000 0.876 185 L CB -1.537 40.533 42.059 0.018 0.000 1.766 185 L HN -0.256 7.863 8.230 -0.065 0.072 0.917 186 S N -1.444 114.249 115.700 -0.012 0.000 2.419 186 S HA -0.183 4.289 4.470 0.003 0.000 0.233 186 S C 0.388 174.993 174.600 0.008 0.000 1.016 186 S CA 1.631 59.830 58.200 -0.001 0.000 0.974 186 S CB 0.739 63.936 63.200 -0.006 0.000 0.786 186 S HN -0.036 8.153 8.310 -0.025 0.106 0.492 187 G N -0.651 108.151 108.800 0.005 0.000 2.488 187 G HA2 0.171 4.145 3.960 0.022 0.000 0.301 187 G HA3 0.171 4.138 3.960 0.012 0.000 0.301 187 G C -3.058 171.838 174.900 -0.007 0.000 1.339 187 G CA -0.534 44.572 45.100 0.010 0.000 0.803 187 G HN -0.842 7.422 8.290 -0.005 0.023 0.482 188 I N -1.761 118.798 120.570 -0.019 0.000 2.608 188 I HA 0.276 4.414 4.170 -0.054 0.000 0.295 188 I C -0.932 175.159 176.117 -0.044 0.000 1.049 188 I CA -0.815 60.447 61.300 -0.062 0.000 1.063 188 I CB 4.097 42.005 38.000 -0.153 0.000 1.248 188 I HN 0.203 8.410 8.210 -0.005 0.000 0.424 189 S N 6.279 121.966 115.700 -0.023 0.000 3.224 189 S HA 0.163 4.644 4.470 0.017 0.000 0.171 189 S C -1.043 173.574 174.600 0.028 0.000 0.846 189 S CA -0.322 57.889 58.200 0.019 0.000 1.328 189 S CB 1.013 64.245 63.200 0.054 0.000 0.614 189 S HN 0.722 8.911 8.310 -0.025 0.106 0.578 190 K N 1.927 122.395 120.400 0.114 0.000 2.118 190 K HA 0.117 4.625 4.320 0.073 -0.144 0.264 190 K C -1.249 175.503 176.600 0.254 0.000 1.000 190 K CA -0.334 56.047 56.287 0.156 0.000 0.929 190 K CB 1.650 34.269 32.500 0.198 0.000 1.021 190 K HN -0.230 8.112 8.250 0.152 0.000 0.463 191 I N 1.899 122.566 120.570 0.163 0.000 2.797 191 I HA 0.601 5.157 4.170 0.415 -0.137 0.307 191 I C -0.969 175.239 176.117 0.151 0.000 1.033 191 I CA -1.884 59.551 61.300 0.225 0.000 1.071 191 I CB 3.900 41.945 38.000 0.075 0.000 1.255 191 I HN 0.292 8.902 8.210 0.072 -0.357 0.445 192 Y N 4.938 125.318 120.300 0.133 0.000 2.536 192 Y HA 0.303 4.792 4.550 -0.102 0.000 0.347 192 Y C -2.074 173.881 175.900 0.092 0.000 1.000 192 Y CA -1.462 56.628 58.100 -0.017 0.000 1.051 192 Y CB 4.152 42.545 38.460 -0.111 0.000 1.259 192 Y HN 0.791 9.363 8.280 0.486 0.000 0.468 193 G N 3.656 112.015 108.800 -0.736 0.000 2.731 193 G HA2 0.340 4.341 3.960 -0.133 0.000 0.298 193 G HA3 0.340 4.163 3.960 -0.227 0.000 0.298 193 G C -2.612 171.982 174.900 -0.511 0.000 1.424 193 G CA -0.021 44.851 45.100 -0.380 0.000 1.029 193 G HN 0.014 7.405 8.290 -1.498 0.000 0.518 194 D N 2.877 123.166 120.400 -0.186 0.000 2.706 194 D HA 0.218 4.796 4.640 -0.104 0.000 0.227 194 D C -1.775 174.537 176.300 0.020 0.000 1.233 194 D CA -0.953 53.002 54.000 -0.074 0.000 0.768 194 D CB 3.231 44.069 40.800 0.063 0.000 1.490 194 D HN 0.643 9.295 8.370 -0.061 -0.319 0.458 195 S N 2.285 118.000 115.700 0.026 0.000 2.968 195 S HA 0.334 4.961 4.470 0.043 -0.131 0.243 195 S C 0.121 174.739 174.600 0.030 0.000 0.799 195 S CA -0.136 58.085 58.200 0.035 0.000 1.101 195 S CB 1.424 64.644 63.200 0.034 0.000 1.313 195 S HN 0.220 8.540 8.310 0.017 0.000 0.521 196 S N 2.284 118.006 115.700 0.035 0.000 2.501 196 S HA 0.071 4.555 4.470 0.024 0.000 0.220 196 S C -0.256 174.361 174.600 0.028 0.000 0.997 196 S CA 1.929 60.147 58.200 0.030 0.000 0.919 196 S CB 0.828 64.048 63.200 0.033 0.000 0.778 196 S HN 0.323 9.071 8.310 0.046 -0.411 0.523 197 L N -4.885 116.360 121.223 0.036 0.000 2.465 197 L HA 0.427 4.776 4.340 0.015 0.000 0.257 197 L C -2.161 174.724 176.870 0.025 0.000 0.988 197 L CA -0.829 54.027 54.840 0.026 0.000 0.827 197 L CB 3.112 45.187 42.059 0.027 0.000 1.397 197 L HN -0.913 7.346 8.230 0.048 0.000 0.410 198 G N -1.760 107.046 108.800 0.010 0.000 2.340 198 G HA2 0.137 4.104 3.960 0.012 0.000 0.299 198 G HA3 0.137 4.228 3.960 0.001 -0.131 0.299 198 G C -0.647 174.248 174.900 -0.009 0.000 1.291 198 G CA 0.232 45.335 45.100 0.004 0.000 0.841 198 G HN -0.286 8.006 8.290 0.003 0.000 0.500 199 V N 0.757 120.662 119.914 -0.015 0.000 2.913 199 V HA -0.408 3.703 4.120 -0.016 0.000 0.260 199 V C 1.273 177.347 176.094 -0.034 0.000 1.098 199 V CA 3.430 65.717 62.300 -0.021 0.000 1.121 199 V CB -0.035 31.776 31.823 -0.021 0.000 0.714 199 V HN 0.662 8.733 8.190 -0.014 0.110 0.487 200 S N 1.008 116.683 115.700 -0.042 0.000 2.399 200 S HA -0.323 4.108 4.470 -0.065 0.000 0.231 200 S C 1.687 176.261 174.600 -0.043 0.000 1.022 200 S CA 3.947 62.115 58.200 -0.053 0.000 0.983 200 S CB -0.304 62.861 63.200 -0.060 0.000 0.803 200 S HN -0.322 7.825 8.310 -0.038 0.140 0.480 201 L N 2.823 124.028 121.223 -0.030 0.000 2.027 201 L HA -0.201 4.124 4.340 -0.025 0.000 0.206 201 L C 2.149 179.004 176.870 -0.025 0.000 1.074 201 L CA 2.534 57.360 54.840 -0.024 0.000 0.745 201 L CB 0.001 42.051 42.059 -0.014 0.000 0.898 201 L HN -0.702 7.501 8.230 -0.025 0.012 0.433 202 V N -0.983 118.918 119.914 -0.023 0.000 2.237 202 V HA -0.622 3.487 4.120 -0.018 0.000 0.245 202 V C 2.090 178.168 176.094 -0.027 0.000 1.046 202 V CA 4.540 66.828 62.300 -0.021 0.000 1.007 202 V CB -0.322 31.492 31.823 -0.015 0.000 0.638 202 V HN -0.789 7.316 8.190 -0.021 0.072 0.445 203 T N 0.719 115.251 114.554 -0.035 0.000 2.788 203 T HA -0.401 3.925 4.350 -0.040 0.000 0.268 203 T C 2.009 176.676 174.700 -0.056 0.000 1.044 203 T CA 4.862 66.934 62.100 -0.047 0.000 1.139 203 T CB -0.092 68.739 68.868 -0.062 0.000 0.867 203 T HN 0.435 8.551 8.240 -0.035 0.103 0.454 204 S N 2.031 117.698 115.700 -0.055 0.000 2.383 204 S HA -0.302 4.129 4.470 -0.064 0.000 0.227 204 S C 1.554 176.128 174.600 -0.043 0.000 1.026 204 S CA 3.573 61.740 58.200 -0.054 0.000 0.981 204 S CB -0.284 62.885 63.200 -0.052 0.000 0.818 204 S HN -0.422 7.857 8.310 -0.051 0.000 0.472 205 A N 3.093 125.893 122.820 -0.034 0.000 1.972 205 A HA -0.094 4.420 4.320 -0.027 -0.210 0.219 205 A C 2.331 179.897 177.584 -0.029 0.000 1.169 205 A CA 2.674 54.694 52.037 -0.028 0.000 0.635 205 A CB -0.629 18.358 19.000 -0.022 0.000 0.810 205 A HN -0.253 7.878 8.150 -0.033 0.000 0.446 206 V N -2.402 117.493 119.914 -0.032 0.000 2.407 206 V HA -0.596 3.506 4.120 -0.030 0.000 0.248 206 V C 1.777 177.848 176.094 -0.039 0.000 1.055 206 V CA 4.259 66.538 62.300 -0.034 0.000 1.049 206 V CB -0.259 31.544 31.823 -0.034 0.000 0.662 206 V HN -0.280 7.890 8.190 -0.033 0.000 0.455 207 K N -0.514 119.859 120.400 -0.045 0.000 2.032 207 K HA -0.441 3.851 4.320 -0.047 0.000 0.209 207 K C 2.163 178.741 176.600 -0.037 0.000 1.048 207 K CA 3.958 60.217 56.287 -0.046 0.000 0.927 207 K CB -0.638 31.829 32.500 -0.055 0.000 0.712 207 K HN -0.749 7.371 8.250 -0.048 0.101 0.441 208 D N -1.157 119.224 120.400 -0.033 0.000 2.104 208 D HA -0.257 4.367 4.640 -0.026 0.000 0.194 208 D C 1.590 177.876 176.300 -0.024 0.000 0.994 208 D CA 2.976 56.960 54.000 -0.027 0.000 0.830 208 D CB -0.322 40.464 40.800 -0.024 0.000 0.959 208 D HN -0.728 7.621 8.370 -0.034 0.000 0.452 209 A N -1.757 121.048 122.820 -0.025 0.000 2.014 209 A HA -0.122 4.186 4.320 -0.020 0.000 0.218 209 A C 1.007 178.576 177.584 -0.025 0.000 1.163 209 A CA 1.960 53.983 52.037 -0.023 0.000 0.652 209 A CB 0.189 19.175 19.000 -0.023 0.000 0.808 209 A HN -0.603 7.531 8.150 -0.026 0.000 0.449 210 L N -2.453 118.752 121.223 -0.030 0.000 2.296 210 L HA -0.167 4.154 4.340 -0.032 0.000 0.219 210 L C 1.496 178.351 176.870 -0.026 0.000 1.196 210 L CA 2.063 56.884 54.840 -0.032 0.000 2.661 210 L CB 0.575 42.611 42.059 -0.038 0.000 2.461 210 L HN -0.017 8.107 8.230 -0.032 0.087 1.064 211 S N -4.516 111.169 115.700 -0.025 0.000 3.078 211 S HA 0.167 4.626 4.470 -0.018 0.000 0.248 211 S C -1.520 173.068 174.600 -0.020 0.000 0.857 211 S CA -0.341 57.847 58.200 -0.020 0.000 1.139 211 S CB 0.331 63.521 63.200 -0.016 0.000 1.186 211 S HN -0.065 8.228 8.310 -0.028 0.000 0.567 212 L N 2.361 123.568 121.223 -0.025 0.000 2.381 212 L HA 0.264 4.591 4.340 -0.023 0.000 0.268 212 L C -2.422 174.428 176.870 -0.032 0.000 0.997 212 L CA -0.957 53.866 54.840 -0.028 0.000 0.818 212 L CB 3.214 45.252 42.059 -0.035 0.000 1.310 212 L HN -0.469 7.744 8.230 -0.028 0.000 0.416 213 A N 3.346 126.147 122.820 -0.032 0.000 2.386 213 A HA 0.138 4.440 4.320 -0.029 0.000 0.248 213 A C 0.678 178.236 177.584 -0.044 0.000 1.082 213 A CA -0.026 51.991 52.037 -0.033 0.000 0.789 213 A CB 0.717 19.699 19.000 -0.029 0.000 1.025 213 A HN 0.236 8.369 8.150 -0.028 0.000 0.490 214 R N 1.110 121.585 120.500 -0.042 0.000 4.902 214 R HA -0.058 4.250 4.340 -0.054 0.000 0.201 214 R C -0.281 175.985 176.300 -0.057 0.000 2.020 214 R CA -0.189 55.883 56.100 -0.048 0.000 1.674 214 R CB -2.429 27.848 30.300 -0.038 0.000 1.349 214 R HN 0.435 8.685 8.270 -0.035 0.000 0.813 215 T N -2.480 112.032 114.554 -0.069 0.000 2.824 215 T HA 0.212 4.518 4.350 -0.072 0.000 0.277 215 T C 0.256 174.890 174.700 -0.109 0.000 0.975 215 T CA -1.651 60.399 62.100 -0.083 0.000 0.966 215 T CB 2.018 70.834 68.868 -0.087 0.000 1.054 215 T HN -0.007 8.101 8.240 -0.069 0.091 0.533 216 K N 2.447 122.771 120.400 -0.127 0.000 2.017 216 K HA -0.092 4.132 4.320 -0.160 0.000 0.207 216 K C 2.490 178.965 176.600 -0.208 0.000 1.035 216 K CA 1.649 57.839 56.287 -0.163 0.000 0.947 216 K CB -0.175 32.228 32.500 -0.163 0.000 0.749 216 K HN 0.789 8.967 8.250 -0.119 0.000 0.443 217 G N -1.968 106.707 108.800 -0.209 0.000 2.501 217 G HA2 -0.226 3.608 3.960 -0.209 0.000 0.220 217 G HA3 -0.226 3.513 3.960 -0.257 0.067 0.220 217 G C 0.381 175.168 174.900 -0.189 0.000 1.114 217 G CA 1.932 46.901 45.100 -0.219 0.000 0.757 217 G HN -0.441 7.730 8.290 -0.197 0.000 0.559 218 S N -0.294 115.291 115.700 -0.192 0.000 2.815 218 S HA 0.078 4.523 4.470 -0.042 0.000 0.254 218 S C 0.238 174.598 174.600 -0.400 0.000 1.197 218 S CA -0.872 57.221 58.200 -0.179 0.000 1.216 218 S CB -0.736 62.422 63.200 -0.070 0.000 0.871 218 S HN -0.594 7.578 8.310 -0.173 0.034 0.473 219 S N 1.425 116.651 115.700 -0.790 0.000 2.395 219 S HA -0.165 4.095 4.470 -0.350 0.000 0.225 219 S C 1.591 175.875 174.600 -0.527 0.000 1.027 219 S CA 2.166 60.009 58.200 -0.594 0.000 0.965 219 S CB 0.078 63.010 63.200 -0.445 0.000 0.812 219 S HN -0.727 6.906 8.310 -1.010 0.071 0.482 220 Y N 1.396 121.713 120.300 0.029 0.000 2.029 220 Y HA -0.460 4.125 4.550 0.058 0.000 0.269 220 Y C 2.111 178.038 175.900 0.045 0.000 1.201 220 Y CA 2.648 60.779 58.100 0.052 0.000 1.115 220 Y CB -1.578 36.927 38.460 0.074 0.000 0.945 220 Y HN -0.010 6.649 8.280 -2.700 0.000 0.497 221 L N -3.061 118.213 121.223 0.085 0.000 2.189 221 L HA -0.281 4.290 4.340 0.058 -0.196 0.214 221 L C 1.264 178.118 176.870 -0.027 0.000 1.097 221 L CA 2.138 56.999 54.840 0.034 0.000 0.764 221 L CB -0.078 41.995 42.059 0.023 0.000 0.900 221 L HN -0.035 8.249 8.230 0.090 0.000 0.436 222 A N -3.121 119.670 122.820 -0.049 0.000 1.942 222 A HA -0.089 4.201 4.320 -0.050 0.000 0.209 222 A C 1.549 179.118 177.584 -0.024 0.000 1.214 222 A CA 1.592 53.599 52.037 -0.051 0.000 0.686 222 A CB 0.625 19.582 19.000 -0.071 0.000 0.871 222 A HN -0.121 7.817 8.150 -0.077 0.165 0.460 223 D N 0.934 121.324 120.400 -0.017 0.000 2.158 223 D HA -0.341 4.308 4.640 0.015 0.000 0.197 223 D C 1.753 178.109 176.300 0.094 0.000 0.995 223 D CA 3.862 57.880 54.000 0.030 0.000 0.846 223 D CB -0.570 40.252 40.800 0.037 0.000 0.941 223 D HN -0.008 8.221 8.370 -0.053 0.109 0.456 224 D N -0.494 119.982 120.400 0.126 0.000 2.192 224 D HA -0.364 4.470 4.640 0.324 0.000 0.189 224 D C 2.235 178.633 176.300 0.163 0.000 1.007 224 D CA 3.846 57.959 54.000 0.189 0.000 0.859 224 D CB -0.315 40.505 40.800 0.034 0.000 0.936 224 D HN 0.388 8.826 8.370 0.113 0.000 0.447 225 I N -3.545 117.054 120.570 0.048 0.000 2.617 225 I HA -0.298 3.908 4.170 0.060 0.000 0.256 225 I C 0.616 176.775 176.117 0.071 0.000 1.167 225 I CA 2.768 64.091 61.300 0.039 0.000 1.469 225 I CB 0.256 38.241 38.000 -0.025 0.000 1.098 225 I HN -0.639 7.563 8.210 0.010 0.014 0.436 226 I N -2.111 118.496 120.570 0.063 0.000 2.353 226 I HA -0.312 3.879 4.170 0.036 0.000 0.248 226 I C 2.216 178.376 176.117 0.072 0.000 1.119 226 I CA 0.171 61.502 61.300 0.051 0.000 1.417 226 I CB -0.821 37.198 38.000 0.031 0.000 1.078 226 I HN -0.769 7.371 8.210 0.057 0.105 0.421 227 I N 0.963 121.606 120.570 0.121 0.000 2.110 227 I HA -0.596 3.621 4.170 0.078 0.000 0.236 227 I C 1.689 177.871 176.117 0.109 0.000 1.068 227 I CA 4.312 65.694 61.300 0.136 0.000 1.333 227 I CB 0.001 38.141 38.000 0.233 0.000 1.054 227 I HN -0.301 7.995 8.210 0.142 0.000 0.402 228 H N -2.325 116.816 119.070 0.118 0.000 2.682 228 H HA 0.049 4.670 4.556 0.108 0.000 0.293 228 H C 1.296 176.667 175.328 0.071 0.000 1.080 228 H CA 0.401 56.524 56.048 0.124 0.000 1.189 228 H CB -0.836 29.071 29.762 0.241 0.000 1.311 228 H HN 0.048 8.490 8.280 0.445 0.105 0.599 229 R N -1.983 118.569 120.500 0.086 0.000 2.237 229 R HA -0.094 4.280 4.340 0.056 0.000 0.219 229 R C 0.738 177.053 176.300 0.025 0.000 1.080 229 R CA 2.200 58.329 56.100 0.048 0.000 0.995 229 R CB -0.715 29.602 30.300 0.029 0.000 0.875 229 R HN -0.591 7.615 8.270 0.075 0.108 0.462 230 K N -2.455 117.945 120.400 -0.000 0.000 2.417 230 K HA 0.059 4.376 4.320 -0.005 0.000 0.196 230 K C -0.712 175.887 176.600 -0.001 0.000 1.023 230 K CA -0.071 56.207 56.287 -0.015 0.000 1.122 230 K CB 0.226 32.699 32.500 -0.045 0.000 0.850 230 K HN -0.231 7.952 8.250 -0.020 0.055 0.521 231 D N -1.059 119.366 120.400 0.043 0.000 2.654 231 D HA 0.208 4.888 4.640 0.068 0.000 0.255 231 D C -1.509 174.852 176.300 0.102 0.000 1.101 231 D CA -1.643 52.416 54.000 0.098 0.000 1.116 231 D CB 2.277 43.216 40.800 0.231 0.000 1.348 231 D HN -0.567 7.666 8.370 0.064 0.176 0.609 232 N N -2.821 115.943 118.700 0.108 0.000 2.075 232 N HA 0.020 4.805 4.740 0.075 0.000 0.226 232 N C 0.149 175.713 175.510 0.090 0.000 1.343 232 N CA 0.115 53.213 53.050 0.081 0.000 0.881 232 N CB 1.953 40.469 38.487 0.049 0.000 1.100 232 N HN 0.020 8.476 8.380 0.126 0.000 0.495 233 N N 2.287 121.064 118.700 0.128 0.000 2.148 233 N HA -0.176 4.614 4.740 0.084 0.000 0.186 233 N C 1.502 177.102 175.510 0.150 0.000 1.031 233 N CA 3.530 56.653 53.050 0.121 0.000 0.848 233 N CB 0.396 38.956 38.487 0.122 0.000 1.005 233 N HN 0.154 9.154 8.380 0.159 -0.524 0.427 234 Y N 1.183 121.487 120.300 0.008 0.000 2.373 234 Y HA -0.184 4.311 4.550 -0.092 0.000 0.293 234 Y C 1.362 177.229 175.900 -0.055 0.000 1.129 234 Y CA 2.340 60.378 58.100 -0.104 0.000 1.226 234 Y CB 0.032 38.236 38.460 -0.427 0.000 1.000 234 Y HN 0.316 9.218 8.280 0.326 -0.427 0.549 235 L N -1.253 119.961 121.223 -0.015 0.000 2.017 235 L HA -0.547 3.686 4.340 -0.177 0.000 0.208 235 L C 2.090 178.917 176.870 -0.073 0.000 1.073 235 L CA 3.315 58.109 54.840 -0.077 0.000 0.745 235 L CB -0.807 41.253 42.059 0.003 0.000 0.894 235 L HN -0.051 8.232 8.230 0.116 0.017 0.432 236 K N -1.663 118.726 120.400 -0.018 0.000 2.147 236 K HA -0.338 3.971 4.320 -0.019 0.000 0.205 236 K C 2.651 179.237 176.600 -0.024 0.000 1.049 236 K CA 3.348 59.627 56.287 -0.012 0.000 0.936 236 K CB -0.339 32.169 32.500 0.014 0.000 0.722 236 K HN -0.092 8.068 8.250 0.018 0.101 0.446 237 Q N -0.844 118.942 119.800 -0.023 0.000 1.990 237 Q HA -0.228 4.114 4.340 0.002 0.000 0.200 237 Q C 2.343 178.285 176.000 -0.097 0.000 0.980 237 Q CA 2.581 58.372 55.803 -0.021 0.000 0.832 237 Q CB -0.121 28.663 28.738 0.078 0.000 0.897 237 Q HN -0.495 7.698 8.270 -0.000 0.077 0.427 238 R N -2.400 117.948 120.500 -0.252 0.000 2.075 238 R HA -0.103 4.126 4.340 -0.186 0.000 0.226 238 R C 2.114 178.313 176.300 -0.167 0.000 1.114 238 R CA 1.490 57.422 56.100 -0.280 0.000 0.972 238 R CB 0.711 30.667 30.300 -0.573 0.000 0.869 238 R HN -0.028 7.911 8.270 -0.374 0.107 0.437 239 I N 1.079 121.560 120.570 -0.147 0.000 2.204 239 I HA -0.070 4.054 4.170 -0.077 0.000 0.291 239 I C -1.261 174.820 176.117 -0.059 0.000 1.153 239 I CA -0.511 60.737 61.300 -0.087 0.000 1.546 239 I CB -2.062 35.895 38.000 -0.071 0.000 1.490 239 I HN 0.129 8.127 8.210 -0.170 0.111 0.697 240 N N 7.416 126.086 118.700 -0.050 0.000 3.210 240 N HA -0.112 4.822 4.740 -0.030 -0.212 0.314 240 N C -1.200 174.298 175.510 -0.020 0.000 1.291 240 N CA 0.672 53.703 53.050 -0.031 0.000 1.202 240 N CB -0.641 37.832 38.487 -0.024 0.000 1.475 240 N HN -0.133 8.166 8.380 -0.056 0.047 0.554 241 D N -0.203 120.186 120.400 -0.020 0.000 2.746 241 D HA 0.010 4.645 4.640 -0.009 0.000 0.211 241 D C -0.156 176.137 176.300 -0.013 0.000 1.242 241 D CA 0.403 54.395 54.000 -0.013 0.000 0.790 241 D CB 2.040 42.834 40.800 -0.012 0.000 1.744 241 D HN -0.007 8.254 8.370 -0.025 0.094 0.520 242 E N 4.370 124.565 120.200 -0.008 0.000 2.160 242 E HA -0.363 3.983 4.350 -0.006 0.000 0.195 242 E C 1.252 177.847 176.600 -0.007 0.000 0.991 242 E CA 3.042 59.439 56.400 -0.006 0.000 0.810 242 E CB 0.078 29.777 29.700 -0.002 0.000 0.742 242 E HN 0.466 8.822 8.360 -0.006 0.000 0.466 243 N N -2.199 116.497 118.700 -0.007 0.000 2.453 243 N HA -0.184 4.552 4.740 -0.006 0.000 0.183 243 N C 1.589 177.093 175.510 -0.010 0.000 1.041 243 N CA 2.247 55.292 53.050 -0.007 0.000 0.900 243 N CB 0.165 38.648 38.487 -0.006 0.000 0.961 243 N HN -0.215 8.451 8.380 -0.007 -0.291 0.443 244 K N -1.990 118.402 120.400 -0.013 0.000 2.352 244 K HA 0.078 4.389 4.320 -0.015 0.000 0.194 244 K C 0.681 177.270 176.600 -0.018 0.000 1.038 244 K CA 0.753 57.030 56.287 -0.016 0.000 1.023 244 K CB 0.475 32.963 32.500 -0.020 0.000 0.840 244 K HN -0.312 7.766 8.250 -0.013 0.164 0.519 245 I N 0.221 120.782 120.570 -0.016 0.000 2.315 245 I HA -0.465 3.693 4.170 -0.020 0.000 0.248 245 I C 1.378 177.489 176.117 -0.011 0.000 1.117 245 I CA 4.019 65.310 61.300 -0.015 0.000 1.404 245 I CB -0.367 37.626 38.000 -0.011 0.000 1.071 245 I HN -0.576 7.509 8.210 -0.014 0.117 0.419 246 S N 0.503 116.198 115.700 -0.009 0.000 2.343 246 S HA -0.306 4.161 4.470 -0.006 0.000 0.219 246 S C 1.713 176.307 174.600 -0.009 0.000 1.033 246 S CA 3.923 62.118 58.200 -0.007 0.000 1.014 246 S CB -0.495 62.701 63.200 -0.006 0.000 0.915 246 S HN -0.314 7.991 8.310 -0.008 0.000 0.435 247 I N 1.881 122.444 120.570 -0.011 0.000 2.113 247 I HA -0.450 3.804 4.170 -0.011 -0.091 0.242 247 I C 2.097 178.205 176.117 -0.014 0.000 1.064 247 I CA 2.164 63.457 61.300 -0.012 0.000 1.320 247 I CB -1.490 36.502 38.000 -0.013 0.000 1.028 247 I HN -0.280 7.924 8.210 -0.010 0.000 0.406 248 V N -0.086 119.818 119.914 -0.017 0.000 2.295 248 V HA -0.565 3.543 4.120 -0.021 0.000 0.246 248 V C 2.289 178.374 176.094 -0.015 0.000 1.049 248 V CA 4.690 66.979 62.300 -0.020 0.000 1.024 248 V CB -0.364 31.443 31.823 -0.026 0.000 0.648 248 V HN 0.092 8.272 8.190 -0.018 0.000 0.447 249 T N 2.099 116.647 114.554 -0.011 0.000 2.708 249 T HA -0.466 3.881 4.350 -0.005 0.000 0.266 249 T C 1.978 176.674 174.700 -0.007 0.000 1.037 249 T CA 5.442 67.538 62.100 -0.007 0.000 1.146 249 T CB -0.214 68.652 68.868 -0.004 0.000 0.865 249 T HN -0.212 8.021 8.240 -0.012 0.000 0.435 250 E N 1.006 121.201 120.200 -0.008 0.000 2.152 250 E HA -0.242 4.103 4.350 -0.008 0.000 0.192 250 E C 2.074 178.668 176.600 -0.010 0.000 0.983 250 E CA 2.726 59.121 56.400 -0.009 0.000 0.818 250 E CB -0.574 29.121 29.700 -0.008 0.000 0.758 250 E HN 0.388 8.632 8.360 -0.009 0.111 0.467 251 A N 0.489 123.302 122.820 -0.012 0.000 1.877 251 A HA -0.282 4.030 4.320 -0.012 0.000 0.216 251 A C 1.925 179.501 177.584 -0.013 0.000 1.186 251 A CA 2.954 54.983 52.037 -0.013 0.000 0.620 251 A CB -1.011 17.979 19.000 -0.016 0.000 0.822 251 A HN 0.087 8.230 8.150 -0.012 0.000 0.443 252 M N -0.319 119.274 119.600 -0.012 0.000 2.080 252 M HA -0.545 3.928 4.480 -0.012 0.000 0.260 252 M C 1.537 177.831 176.300 -0.009 0.000 1.068 252 M CA 3.854 59.147 55.300 -0.011 0.000 1.109 252 M CB 0.087 32.682 32.600 -0.008 0.000 1.342 252 M HN 0.047 8.330 8.290 -0.013 0.000 0.405 253 N N -1.185 117.510 118.700 -0.008 0.000 2.120 253 N HA -0.406 4.330 4.740 -0.008 0.000 0.188 253 N C 1.768 177.272 175.510 -0.010 0.000 1.024 253 N CA 3.855 56.900 53.050 -0.009 0.000 0.852 253 N CB 0.106 38.588 38.487 -0.008 0.000 1.003 253 N HN 0.188 8.448 8.380 -0.008 0.115 0.424 254 E N 0.480 120.674 120.200 -0.010 0.000 2.070 254 E HA -0.349 3.994 4.350 -0.010 0.000 0.197 254 E C 1.781 178.375 176.600 -0.010 0.000 1.004 254 E CA 2.889 59.282 56.400 -0.010 0.000 0.805 254 E CB -0.427 29.267 29.700 -0.010 0.000 0.744 254 E HN -0.076 8.278 8.360 -0.010 0.000 0.451 255 A N -0.872 121.942 122.820 -0.010 0.000 1.845 255 A HA -0.231 4.084 4.320 -0.009 0.000 0.215 255 A C 2.292 179.871 177.584 -0.009 0.000 1.195 255 A CA 3.015 55.047 52.037 -0.010 0.000 0.616 255 A CB -0.683 18.311 19.000 -0.011 0.000 0.832 255 A HN -0.682 7.461 8.150 -0.011 0.000 0.443 256 L N -2.414 118.803 121.223 -0.009 0.000 2.079 256 L HA -0.515 3.820 4.340 -0.008 0.000 0.210 256 L C 2.511 179.372 176.870 -0.014 0.000 1.081 256 L CA 3.017 57.851 54.840 -0.010 0.000 0.752 256 L CB -0.660 41.394 42.059 -0.008 0.000 0.896 256 L HN 0.086 8.310 8.230 -0.009 0.000 0.433 257 R N -1.883 118.608 120.500 -0.015 0.000 2.096 257 R HA -0.411 3.916 4.340 -0.023 0.000 0.240 257 R C 2.433 178.721 176.300 -0.021 0.000 1.139 257 R CA 4.183 60.272 56.100 -0.019 0.000 0.952 257 R CB -0.361 29.929 30.300 -0.016 0.000 0.854 257 R HN 0.605 8.755 8.270 -0.013 0.112 0.436 258 K N -0.983 119.408 120.400 -0.015 0.000 2.305 258 K HA -0.142 4.169 4.320 -0.016 0.000 0.199 258 K C 2.474 179.067 176.600 -0.010 0.000 1.047 258 K CA 2.290 58.569 56.287 -0.013 0.000 0.976 258 K CB -0.245 32.250 32.500 -0.008 0.000 0.765 258 K HN -0.649 7.593 8.250 -0.012 0.000 0.474 259 L N 0.651 121.869 121.223 -0.009 0.000 1.970 259 L HA -0.445 3.897 4.340 0.003 0.000 0.212 259 L C 1.678 178.537 176.870 -0.017 0.000 1.071 259 L CA 3.901 58.738 54.840 -0.005 0.000 0.751 259 L CB -0.446 41.611 42.059 -0.002 0.000 0.889 259 L HN 0.209 8.434 8.230 -0.009 0.000 0.432 260 E N -1.981 118.203 120.200 -0.027 0.000 2.070 260 E HA -0.531 3.791 4.350 -0.047 0.000 0.197 260 E C 2.552 179.111 176.600 -0.069 0.000 1.004 260 E CA 3.330 59.701 56.400 -0.048 0.000 0.805 260 E CB -0.423 29.247 29.700 -0.051 0.000 0.744 260 E HN 0.024 8.370 8.360 -0.023 0.000 0.451 261 Q N -2.620 117.147 119.800 -0.055 0.000 2.197 261 Q HA -0.279 4.015 4.340 -0.077 0.000 0.207 261 Q C 1.737 177.705 176.000 -0.053 0.000 0.984 261 Q CA 2.507 58.275 55.803 -0.057 0.000 0.869 261 Q CB -0.257 28.459 28.738 -0.036 0.000 0.906 261 Q HN -0.161 8.084 8.270 -0.042 0.000 0.426 262 R N -1.990 118.488 120.500 -0.037 0.000 2.052 262 R HA -0.150 4.169 4.340 -0.035 0.000 0.224 262 R C 2.097 178.357 176.300 -0.066 0.000 1.149 262 R CA 2.661 58.740 56.100 -0.035 0.000 0.962 262 R CB 0.579 30.880 30.300 0.002 0.000 0.856 262 R HN -0.724 7.515 8.270 -0.028 0.014 0.433 263 V N -1.796 118.083 119.914 -0.057 0.000 2.594 263 V HA -0.307 3.756 4.120 -0.096 0.000 0.253 263 V C 1.812 177.863 176.094 -0.070 0.000 1.069 263 V CA 3.050 65.311 62.300 -0.065 0.000 1.082 263 V CB -0.178 31.627 31.823 -0.029 0.000 0.680 263 V HN -0.169 7.998 8.190 -0.038 0.000 0.469 264 L N -2.168 118.992 121.223 -0.106 0.000 2.093 264 L HA -0.355 3.955 4.340 -0.049 0.000 0.208 264 L C 1.254 178.080 176.870 -0.074 0.000 1.085 264 L CA 2.586 57.330 54.840 -0.160 0.000 0.755 264 L CB -0.622 41.153 42.059 -0.472 0.000 0.904 264 L HN -0.082 8.061 8.230 -0.117 0.017 0.435 265 N N -3.349 115.304 118.700 -0.078 0.000 2.331 265 N HA -0.105 4.899 4.740 0.042 -0.239 0.180 265 N C 1.629 177.116 175.510 -0.039 0.000 1.019 265 N CA 2.307 55.344 53.050 -0.022 0.000 0.881 265 N CB 0.770 39.237 38.487 -0.034 0.000 0.972 265 N HN -0.449 7.775 8.380 -0.102 0.095 0.435 266 T N 4.258 118.738 114.554 -0.123 0.000 2.759 266 T HA -0.411 3.725 4.350 -0.357 0.000 0.269 266 T C 1.110 175.819 174.700 0.014 0.000 1.042 266 T CA 5.261 67.215 62.100 -0.244 0.000 1.140 266 T CB -0.087 68.504 68.868 -0.461 0.000 0.864 266 T HN 0.022 8.113 8.240 -0.130 0.071 0.455 267 L N -4.030 117.246 121.223 0.089 0.000 2.627 267 L HA -0.034 4.483 4.340 0.295 0.000 0.232 267 L C -0.310 176.704 176.870 0.241 0.000 1.150 267 L CA 0.020 54.961 54.840 0.167 0.000 0.917 267 L CB -1.285 40.776 42.059 0.004 0.000 1.104 267 L HN -0.600 7.564 8.230 0.034 0.087 0.445 268 N N -1.931 116.887 118.700 0.195 0.000 2.436 268 N HA -0.033 4.849 4.740 0.237 0.000 0.178 268 N C 0.307 175.899 175.510 0.137 0.000 1.026 268 N CA 1.574 54.737 53.050 0.188 0.000 0.880 268 N CB 1.019 39.595 38.487 0.148 0.000 1.061 268 N HN -0.271 7.964 8.380 0.122 0.218 0.434 269 E N 0.003 120.242 120.200 0.064 0.000 2.058 269 E HA -0.239 4.109 4.350 -0.003 0.000 0.194 269 E C 1.020 177.613 176.600 -0.011 0.000 0.997 269 E CA 2.213 58.601 56.400 -0.020 0.000 0.801 269 E CB 0.675 30.299 29.700 -0.127 0.000 0.746 269 E HN -0.491 7.890 8.360 0.036 0.000 0.450 270 F N 1.311 121.294 119.950 0.056 0.000 2.650 270 F HA -0.144 4.435 4.527 0.087 0.000 0.338 270 F C -0.828 175.066 175.800 0.157 0.000 1.311 270 F CA -0.261 57.800 58.000 0.102 0.000 1.106 270 F CB -1.467 37.596 39.000 0.105 0.000 1.500 270 F HN -0.197 8.216 8.300 0.189 0.000 0.670 271 S N 4.070 119.921 115.700 0.251 0.000 2.585 271 S HA -0.022 4.517 4.470 0.115 0.000 0.273 271 S C 1.084 175.757 174.600 0.123 0.000 1.339 271 S CA 1.135 59.418 58.200 0.139 0.000 1.028 271 S CB 1.055 64.290 63.200 0.059 0.000 0.906 271 S HN -0.287 8.087 8.310 0.174 0.040 0.528 272 G N 1.348 110.136 108.800 -0.019 0.000 2.171 272 G HA2 -0.224 3.681 3.960 -0.092 0.000 0.238 272 G HA3 -0.224 3.756 3.960 0.034 0.000 0.238 272 G C -1.401 173.511 174.900 0.021 0.000 1.039 272 G CA 0.037 45.123 45.100 -0.024 0.000 0.759 272 G HN 0.535 8.752 8.290 -0.121 0.000 0.501 273 Y N -2.180 118.142 120.300 0.037 0.000 2.346 273 Y HA 0.319 4.867 4.550 -0.004 0.000 0.330 273 Y C -0.633 175.273 175.900 0.009 0.000 1.178 273 Y CA -1.477 56.626 58.100 0.006 0.000 1.331 273 Y CB 0.575 39.022 38.460 -0.022 0.000 1.253 273 Y HN -0.375 7.753 8.280 -0.253 0.000 0.529 274 T N 0.140 114.819 114.554 0.209 0.000 3.340 274 T HA 0.197 4.567 4.350 0.033 0.000 0.272 274 T C -0.153 174.568 174.700 0.035 0.000 0.965 274 T CA -0.302 61.855 62.100 0.094 0.000 1.040 274 T CB 1.429 70.343 68.868 0.076 0.000 1.183 274 T HN 0.123 8.506 8.240 0.238 0.000 0.478 275 H N 2.285 121.412 119.070 0.094 0.000 2.621 275 H HA 0.542 5.223 4.556 0.033 -0.105 0.360 275 H C -1.473 173.855 175.328 -0.001 0.000 1.163 275 H CA -0.231 55.857 56.048 0.067 0.000 1.194 275 H CB 3.118 32.979 29.762 0.166 0.000 1.649 275 H HN 0.070 8.589 8.280 0.399 0.000 0.532 276 V N 0.331 120.230 119.914 -0.025 0.000 2.656 276 V HA 0.426 4.594 4.120 -0.167 -0.148 0.307 276 V C -2.182 173.713 176.094 -0.332 0.000 1.051 276 V CA -1.316 60.829 62.300 -0.259 0.000 0.893 276 V CB 3.221 34.761 31.823 -0.472 0.000 0.999 276 V HN 1.004 9.126 8.190 -0.113 0.000 0.426 277 M N 7.072 126.550 119.600 -0.204 0.000 2.321 277 M HA 0.721 5.299 4.480 -0.121 -0.171 0.315 277 M C -2.281 173.894 176.300 -0.208 0.000 1.052 277 M CA -1.376 53.849 55.300 -0.123 0.000 0.936 277 M CB 3.974 36.589 32.600 0.026 0.000 1.639 277 M HN 1.029 9.091 8.290 -0.191 0.114 0.433 278 V N 6.802 126.595 119.914 -0.203 0.000 2.448 278 V HA 0.442 4.604 4.120 -0.119 -0.113 0.295 278 V C -1.608 174.455 176.094 -0.051 0.000 1.025 278 V CA -0.817 61.405 62.300 -0.131 0.000 0.859 278 V CB 1.468 33.218 31.823 -0.121 0.000 0.988 278 V HN 0.759 8.842 8.190 -0.179 0.000 0.431 279 I N -1.552 118.996 120.570 -0.037 0.000 3.279 279 I HA 0.722 4.982 4.170 -0.020 -0.101 0.315 279 I C -1.236 174.863 176.117 -0.031 0.000 1.187 279 I CA -2.612 58.672 61.300 -0.027 0.000 0.953 279 I CB 4.143 42.127 38.000 -0.027 0.000 1.279 279 I HN 0.787 8.973 8.210 -0.040 0.000 0.465 280 G N -1.415 107.355 108.800 -0.050 0.000 2.631 280 G HA2 -0.293 3.614 3.960 -0.089 0.000 0.504 280 G HA3 -0.293 3.641 3.960 -0.044 0.000 0.504 280 G C -0.009 174.847 174.900 -0.073 0.000 1.306 280 G CA -0.253 44.809 45.100 -0.065 0.000 0.897 280 G HN -0.259 7.995 8.290 -0.060 0.000 0.520 281 G N 0.321 109.077 108.800 -0.073 0.000 2.396 281 G HA2 -0.114 3.806 3.960 -0.066 0.000 0.214 281 G HA3 -0.114 3.814 3.960 -0.054 0.000 0.214 281 G C 0.878 175.766 174.900 -0.021 0.000 1.166 281 G CA 1.308 46.375 45.100 -0.056 0.000 0.793 281 G HN 0.539 8.786 8.290 -0.072 0.000 0.533 282 G N 0.069 108.858 108.800 -0.018 0.000 2.882 282 G HA2 -0.093 3.868 3.960 0.001 0.000 0.206 282 G HA3 -0.093 3.945 3.960 -0.004 -0.080 0.206 282 G C 0.043 174.945 174.900 0.003 0.000 1.155 282 G CA -0.309 44.789 45.100 -0.004 0.000 0.800 282 G HN -0.190 8.085 8.290 -0.025 0.000 0.524 283 A N 2.024 124.844 122.820 -0.001 0.000 1.917 283 A HA -0.308 4.017 4.320 0.009 0.000 0.219 283 A C 1.805 179.408 177.584 0.031 0.000 1.182 283 A CA 2.902 54.946 52.037 0.011 0.000 0.633 283 A CB -0.589 18.414 19.000 0.005 0.000 0.819 283 A HN -0.702 7.230 8.150 -0.013 0.210 0.448 284 E N -2.325 117.890 120.200 0.026 0.000 2.085 284 E HA -0.291 4.081 4.350 0.037 0.000 0.194 284 E C 2.358 178.973 176.600 0.025 0.000 0.994 284 E CA 2.823 59.240 56.400 0.028 0.000 0.801 284 E CB -0.559 29.153 29.700 0.020 0.000 0.743 284 E HN -0.399 7.971 8.360 0.017 0.000 0.453 285 L N -2.506 118.729 121.223 0.019 0.000 2.027 285 L HA -0.213 4.134 4.340 0.011 0.000 0.206 285 L C 2.610 179.492 176.870 0.020 0.000 1.074 285 L CA 2.833 57.682 54.840 0.014 0.000 0.745 285 L CB 0.072 42.137 42.059 0.009 0.000 0.898 285 L HN -0.691 7.443 8.230 0.016 0.106 0.433 286 I N -4.234 116.353 120.570 0.028 0.000 2.676 286 I HA -0.373 3.814 4.170 0.029 0.000 0.259 286 I C 1.450 177.617 176.117 0.083 0.000 1.194 286 I CA 2.919 64.243 61.300 0.040 0.000 1.473 286 I CB -0.815 37.203 38.000 0.030 0.000 1.096 286 I HN 0.239 8.463 8.210 0.024 0.000 0.443 287 C N 2.074 121.435 119.300 0.101 0.000 2.432 287 C HA -0.544 4.085 4.460 0.283 0.000 0.277 287 C C 1.392 176.408 174.990 0.043 0.000 1.249 287 C CA 5.524 64.629 59.018 0.145 0.000 1.725 287 C CB -0.279 27.542 27.740 0.136 0.000 2.028 287 C HN 0.484 8.655 8.230 0.076 0.105 0.477 288 D N -0.686 119.724 120.400 0.017 0.000 2.182 288 D HA -0.305 4.318 4.640 -0.027 0.000 0.201 288 D C 2.055 178.348 176.300 -0.013 0.000 0.986 288 D CA 3.213 57.207 54.000 -0.010 0.000 0.847 288 D CB -0.598 40.199 40.800 -0.006 0.000 0.942 288 D HN -0.351 8.034 8.370 0.026 0.000 0.467 289 A N -0.061 122.761 122.820 0.004 0.000 1.849 289 A HA 0.041 4.523 4.320 -0.015 -0.171 0.214 289 A C 1.709 179.300 177.584 0.011 0.000 1.269 289 A CA 2.612 54.649 52.037 -0.001 0.000 0.605 289 A CB 0.251 19.250 19.000 -0.002 0.000 0.937 289 A HN -0.398 7.655 8.150 0.018 0.108 0.461 290 V N -5.208 114.736 119.914 0.049 0.000 2.719 290 V HA -0.319 3.840 4.120 0.065 0.000 0.252 290 V C 1.835 177.963 176.094 0.058 0.000 1.065 290 V CA 2.833 65.178 62.300 0.075 0.000 1.086 290 V CB -0.073 31.802 31.823 0.085 0.000 0.700 290 V HN 0.412 8.530 8.190 0.071 0.115 0.467 291 K N 1.218 121.587 120.400 -0.051 0.000 2.032 291 K HA -0.254 3.813 4.320 -0.421 0.000 0.209 291 K C 1.724 178.204 176.600 -0.199 0.000 1.048 291 K CA 2.768 58.842 56.287 -0.355 0.000 0.927 291 K CB -0.468 31.613 32.500 -0.698 0.000 0.712 291 K HN -0.589 7.649 8.250 -0.020 0.000 0.441 292 K N -4.012 116.325 120.400 -0.106 0.000 2.362 292 K HA -0.188 4.082 4.320 -0.084 0.000 0.200 292 K C 1.233 177.849 176.600 0.026 0.000 1.046 292 K CA 2.480 58.736 56.287 -0.051 0.000 0.952 292 K CB -0.614 31.866 32.500 -0.033 0.000 0.753 292 K HN -0.276 7.919 8.250 -0.092 0.000 0.466 293 H N -0.022 119.013 119.070 -0.058 0.000 2.406 293 H HA 0.088 4.634 4.556 -0.017 0.000 0.304 293 H C 1.263 176.583 175.328 -0.014 0.000 1.042 293 H CA 1.814 57.844 56.048 -0.030 0.000 1.360 293 H CB 1.856 31.600 29.762 -0.029 0.000 1.448 293 H HN -0.580 7.603 8.280 0.097 0.156 0.553 294 T N -4.009 110.509 114.554 -0.059 0.000 2.821 294 T HA -0.219 4.029 4.350 -0.170 0.000 0.267 294 T C 0.838 175.546 174.700 0.014 0.000 1.046 294 T CA 2.108 64.122 62.100 -0.143 0.000 1.139 294 T CB 1.109 69.789 68.868 -0.312 0.000 0.871 294 T HN -0.107 8.144 8.240 0.018 0.000 0.454 295 Q N -5.216 114.567 119.800 -0.028 0.000 2.503 295 Q HA -0.414 3.880 4.340 -0.077 0.000 0.267 295 Q C -1.397 174.612 176.000 0.014 0.000 1.030 295 Q CA 0.633 56.420 55.803 -0.027 0.000 1.041 295 Q CB -1.883 26.839 28.738 -0.026 0.000 1.406 295 Q HN -0.415 7.814 8.270 -0.067 0.000 0.524 296 I N -0.465 120.138 120.570 0.055 0.000 2.529 296 I HA -0.036 4.171 4.170 0.063 0.000 0.284 296 I C 0.153 176.270 176.117 -0.001 0.000 1.082 296 I CA -1.191 60.156 61.300 0.078 0.000 1.406 296 I CB -0.055 38.051 38.000 0.176 0.000 1.405 296 I HN -0.675 7.532 8.210 0.053 0.035 0.548 297 R N 4.666 125.149 120.500 -0.029 0.000 2.641 297 R HA 0.002 4.294 4.340 -0.079 0.000 0.269 297 R C 0.254 176.519 176.300 -0.058 0.000 1.074 297 R CA -0.108 55.957 56.100 -0.058 0.000 1.133 297 R CB 0.686 30.954 30.300 -0.053 0.000 1.029 297 R HN -0.005 8.248 8.270 -0.028 0.000 0.488 298 D N 2.344 122.702 120.400 -0.071 0.000 2.221 298 D HA -0.312 4.310 4.640 -0.031 0.000 0.204 298 D C 2.065 178.317 176.300 -0.080 0.000 0.982 298 D CA 3.781 57.744 54.000 -0.061 0.000 0.857 298 D CB -0.294 40.469 40.800 -0.062 0.000 0.934 298 D HN 0.615 8.937 8.370 -0.080 0.000 0.475 299 E N -1.712 118.452 120.200 -0.059 0.000 2.333 299 E HA -0.252 4.111 4.350 0.021 0.000 0.198 299 E C 0.888 177.432 176.600 -0.092 0.000 1.007 299 E CA 2.066 58.452 56.400 -0.024 0.000 0.845 299 E CB -0.731 28.981 29.700 0.019 0.000 0.766 299 E HN 0.496 8.829 8.360 -0.045 0.000 0.507 300 R N -3.591 116.771 120.500 -0.230 0.000 2.613 300 R HA 0.215 4.426 4.340 -0.215 0.000 0.361 300 R C -2.184 173.720 176.300 -0.660 0.000 1.072 300 R CA -0.745 55.150 56.100 -0.340 0.000 1.089 300 R CB 1.154 31.316 30.300 -0.230 0.000 1.343 300 R HN -0.202 7.803 8.270 -0.163 0.167 0.571 301 F N 2.243 121.635 119.950 -0.929 0.000 2.513 301 F HA 0.531 4.932 4.527 -0.513 -0.182 0.358 301 F C -1.781 173.626 175.800 -0.655 0.000 1.118 301 F CA -1.251 56.364 58.000 -0.640 0.000 1.037 301 F CB 2.441 41.255 39.000 -0.309 0.000 1.276 301 F HN -0.523 7.310 8.300 -0.606 0.103 0.446 302 F N 7.985 127.802 119.950 -0.222 0.000 2.411 302 F HA 0.235 4.770 4.527 0.014 0.000 0.352 302 F C -1.628 174.105 175.800 -0.111 0.000 1.123 302 F CA -0.946 56.999 58.000 -0.091 0.000 1.044 302 F CB 1.832 40.780 39.000 -0.087 0.000 1.135 302 F HN 0.948 8.811 8.300 -0.728 0.000 0.461 303 K N 5.890 126.384 120.400 0.157 0.000 2.575 303 K HA 0.329 4.698 4.320 0.081 0.000 0.255 303 K C -1.417 175.251 176.600 0.112 0.000 0.953 303 K CA -0.380 55.972 56.287 0.108 0.000 0.840 303 K CB 3.210 35.777 32.500 0.112 0.000 1.303 303 K HN 0.385 8.753 8.250 0.197 0.000 0.438 304 T N 3.350 117.955 114.554 0.086 0.000 3.057 304 T HA 0.232 4.632 4.350 0.082 0.000 0.312 304 T C -0.975 173.763 174.700 0.064 0.000 1.227 304 T CA -1.255 60.890 62.100 0.076 0.000 0.929 304 T CB 1.367 70.274 68.868 0.065 0.000 1.986 304 T HN 0.869 9.573 8.240 0.073 -0.419 0.579 305 N N -1.234 117.500 118.700 0.056 0.000 2.220 305 N HA -0.077 4.690 4.740 0.045 0.000 0.182 305 N C 2.383 177.938 175.510 0.074 0.000 1.023 305 N CA 2.757 55.838 53.050 0.052 0.000 0.856 305 N CB 0.265 38.775 38.487 0.038 0.000 0.997 305 N HN 0.336 8.748 8.380 0.054 0.000 0.429 306 N N -0.882 117.879 118.700 0.100 0.000 2.104 306 N HA -0.259 4.614 4.740 0.222 0.000 0.190 306 N C 0.810 176.418 175.510 0.162 0.000 1.024 306 N CA 2.923 56.089 53.050 0.193 0.000 0.853 306 N CB 0.093 38.712 38.487 0.220 0.000 1.008 306 N HN -0.376 8.053 8.380 0.083 0.000 0.424 307 S N -4.546 111.198 115.700 0.074 0.000 1.991 307 S HA -0.503 4.101 4.470 0.022 -0.121 0.246 307 S C 0.366 174.929 174.600 -0.063 0.000 0.933 307 S CA 3.370 61.577 58.200 0.012 0.000 1.899 307 S CB -1.818 61.389 63.200 0.012 0.000 1.228 307 S HN 0.307 9.080 8.310 0.079 -0.415 0.496 308 Q N 0.716 120.399 119.800 -0.195 0.000 2.212 308 Q HA -0.159 4.084 4.340 -0.202 -0.025 0.199 308 Q C 1.165 176.921 176.000 -0.406 0.000 0.950 308 Q CA 2.326 57.922 55.803 -0.345 0.000 0.863 308 Q CB 0.387 28.835 28.738 -0.483 0.000 0.944 308 Q HN 0.001 8.104 8.270 -0.199 0.048 0.465 309 Y N -0.813 119.492 120.300 0.008 0.000 2.544 309 Y HA -0.298 4.257 4.550 0.008 0.000 0.286 309 Y C 1.545 177.439 175.900 -0.009 0.000 1.141 309 Y CA 2.868 60.967 58.100 -0.002 0.000 1.299 309 Y CB -0.780 37.668 38.460 -0.020 0.000 1.030 309 Y HN -0.998 7.065 8.280 -0.362 0.000 0.543 310 D N 0.271 120.714 120.400 0.072 0.000 2.158 310 D HA -0.359 4.311 4.640 0.051 0.000 0.197 310 D C 1.715 178.028 176.300 0.023 0.000 0.995 310 D CA 3.599 57.623 54.000 0.042 0.000 0.846 310 D CB -0.813 40.003 40.800 0.026 0.000 0.941 310 D HN 0.156 8.531 8.370 0.048 0.023 0.456 311 L N -0.366 120.860 121.223 0.005 0.000 1.976 311 L HA -0.292 4.051 4.340 0.005 0.000 0.209 311 L C 1.294 178.180 176.870 0.027 0.000 1.071 311 L CA 2.876 57.719 54.840 0.006 0.000 0.746 311 L CB 0.064 42.116 42.059 -0.012 0.000 0.890 311 L HN -0.876 7.331 8.230 -0.017 0.013 0.432 312 V N -1.835 118.111 119.914 0.053 0.000 2.809 312 V HA -0.456 3.716 4.120 0.087 0.000 0.256 312 V C 1.337 177.456 176.094 0.042 0.000 1.080 312 V CA 2.815 65.166 62.300 0.086 0.000 1.102 312 V CB -0.277 31.640 31.823 0.157 0.000 0.705 312 V HN -0.356 7.863 8.190 0.048 0.000 0.475 313 N N 0.356 119.076 118.700 0.033 0.000 2.106 313 N HA -0.262 4.473 4.740 -0.009 0.000 0.188 313 N C 2.074 177.587 175.510 0.005 0.000 1.029 313 N CA 3.781 56.835 53.050 0.008 0.000 0.848 313 N CB -0.309 38.183 38.487 0.008 0.000 1.007 313 N HN 0.160 8.556 8.380 0.056 0.017 0.423 314 G N -1.269 107.538 108.800 0.012 0.000 2.432 314 G HA2 -0.265 3.761 3.960 0.110 0.000 0.219 314 G HA3 -0.265 3.847 3.960 0.044 -0.126 0.219 314 G C 0.746 175.577 174.900 -0.114 0.000 1.135 314 G CA 1.772 46.887 45.100 0.026 0.000 0.767 314 G HN -0.648 7.654 8.290 0.019 0.000 0.550 315 M N 0.007 119.542 119.600 -0.107 0.000 2.086 315 M HA -0.248 4.149 4.480 -0.139 0.000 0.261 315 M C 2.290 178.323 176.300 -0.445 0.000 1.067 315 M CA 3.787 59.005 55.300 -0.136 0.000 1.116 315 M CB 0.261 32.906 32.600 0.075 0.000 1.348 315 M HN -0.703 7.562 8.290 -0.041 0.000 0.407 316 Y N 1.278 121.087 120.300 -0.818 0.000 2.081 316 Y HA -0.404 2.136 4.550 -3.350 0.000 0.280 316 Y C 1.809 177.251 175.900 -0.763 0.000 1.163 316 Y CA 3.858 61.109 58.100 -1.415 0.000 1.135 316 Y CB 0.074 38.062 38.460 -0.787 0.000 0.970 316 Y HN -0.131 7.889 8.280 -0.310 0.074 0.498 317 L N -4.018 116.955 121.223 -0.416 0.000 2.622 317 L HA -0.249 3.976 4.340 -0.192 0.000 0.233 317 L C 1.755 178.459 176.870 -0.277 0.000 1.156 317 L CA 1.423 56.149 54.840 -0.190 0.000 0.866 317 L CB -0.912 41.242 42.059 0.159 0.000 0.980 317 L HN -0.468 7.633 8.230 -0.215 0.000 0.448 318 I N -1.625 118.613 120.570 -0.552 0.000 2.406 318 I HA -0.173 3.678 4.170 -0.531 0.000 0.249 318 I C 0.841 176.866 176.117 -0.152 0.000 1.122 318 I CA 1.314 62.331 61.300 -0.470 0.000 1.431 318 I CB 0.869 38.578 38.000 -0.485 0.000 1.087 318 I HN -0.760 7.017 8.210 -0.588 0.080 0.424 319 G N -1.546 107.198 108.800 -0.093 0.000 1.950 319 G HA2 0.020 3.949 3.960 -0.052 0.000 0.231 319 G HA3 0.020 3.978 3.960 -0.004 0.000 0.231 319 G C -2.290 172.667 174.900 0.096 0.000 1.685 319 G CA -0.174 44.917 45.100 -0.014 0.000 0.922 319 G HN -0.774 7.423 8.290 -0.155 0.000 0.717 320 N N 0.000 118.724 118.700 0.039 0.000 1.763 320 N HA 0.000 4.824 4.740 0.140 0.000 0.220 320 N CA 0.000 53.106 53.050 0.093 0.000 0.885 320 N CB 0.000 38.534 38.487 0.078 0.000 1.341 320 N HN 0.000 8.361 8.380 -0.031 0.000 0.667