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 1o7j_1_C DATA FIRST_RESID 3 DATA SEQUENCE KLPNIVILAT GGTIAGSAAT GTQTTGYKAG ALGVDTLINA VPEVKKLANV DATA SEQUENCE KGEQFSNMAS ENMTGDVVLK LSQRVNELLA RDDVDGVVIT HGTDTVEESA DATA SEQUENCE YFLHLTVKSD KPVVFVAAMR PATAISADGP MNLLEAVRVA GDKQSRGRGV DATA SEQUENCE MVVINDRIGS ARYITKTNAS TLDTFRANEE GYLGVIIGNR IYYQNRIDKL DATA SEQUENCE HTTRSVFDVR GLTSLPKVDI LYGYQDDPEY LYDAAIQHGV KGIVYAGMGA DATA SEQUENCE GSVSVRGIAG MRKALEKGVV VMRSTRTGNG IVPPDEELPG LVSDSLNPAH DATA SEQUENCE ARILLMLALT RTSDPKVIQE YFHTY 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 3 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 3 K C 0.000 176.598 176.600 -0.003 0.000 0.988 3 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 3 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 4 L N 3.593 124.814 121.223 -0.003 0.000 2.439 4 L HA 0.218 4.555 4.340 -0.004 0.000 0.269 4 L C -1.075 175.793 176.870 -0.003 0.000 1.179 4 L CA -1.957 52.880 54.840 -0.004 0.000 0.828 4 L CB 0.171 42.228 42.059 -0.004 0.000 1.106 4 L HN -0.030 8.198 8.230 -0.003 0.000 0.467 5 P HA 0.138 4.687 4.420 -0.003 -0.130 0.271 5 P C -1.580 175.718 177.300 -0.004 0.000 1.218 5 P CA -0.870 62.228 63.100 -0.003 0.000 0.780 5 P CB 1.043 32.741 31.700 -0.002 0.000 0.901 6 N N 1.674 120.371 118.700 -0.005 0.000 2.439 6 N HA 0.408 5.315 4.740 -0.006 -0.171 0.249 6 N C -1.158 174.347 175.510 -0.008 0.000 1.003 6 N CA -0.382 52.664 53.050 -0.006 0.000 0.942 6 N CB 1.614 40.099 38.487 -0.005 0.000 1.115 6 N HN 0.205 8.946 8.380 -0.004 -0.364 0.505 7 I N 5.088 125.651 120.570 -0.010 0.000 2.418 7 I HA 0.501 4.855 4.170 -0.017 -0.195 0.287 7 I C -1.327 174.779 176.117 -0.018 0.000 1.008 7 I CA -2.501 58.789 61.300 -0.016 0.000 1.104 7 I CB 1.909 39.899 38.000 -0.016 0.000 1.264 7 I HN 0.579 8.783 8.210 -0.009 0.000 0.438 8 V N 7.459 127.359 119.914 -0.024 0.000 2.465 8 V HA 0.264 4.533 4.120 -0.018 -0.160 0.279 8 V C -0.764 175.307 176.094 -0.038 0.000 1.045 8 V CA -1.089 61.196 62.300 -0.025 0.000 0.938 8 V CB 0.669 32.478 31.823 -0.023 0.000 0.986 8 V HN -0.117 8.057 8.190 -0.026 0.000 0.467 9 I N 7.392 127.944 120.570 -0.030 0.000 2.307 9 I HA 0.236 4.572 4.170 -0.056 -0.199 0.287 9 I C -1.601 174.498 176.117 -0.031 0.000 1.054 9 I CA -1.008 60.269 61.300 -0.038 0.000 1.218 9 I CB 0.466 38.451 38.000 -0.025 0.000 1.398 9 I HN 0.462 8.659 8.210 -0.021 0.000 0.475 10 L N 9.114 130.302 121.223 -0.058 0.000 2.259 10 L HA 0.564 5.066 4.340 0.001 -0.162 0.288 10 L C -2.293 174.559 176.870 -0.029 0.000 1.051 10 L CA -1.732 53.082 54.840 -0.044 0.000 0.824 10 L CB 1.848 43.844 42.059 -0.104 0.000 1.206 10 L HN 0.443 8.620 8.230 -0.089 0.000 0.429 11 A N 6.276 129.120 122.820 0.039 0.000 2.301 11 A HA 0.951 5.290 4.320 0.032 0.000 0.312 11 A C -0.610 177.049 177.584 0.125 0.000 1.182 11 A CA -1.756 50.315 52.037 0.056 0.000 0.826 11 A CB 2.643 21.672 19.000 0.048 0.000 1.134 11 A HN 0.639 8.825 8.150 0.061 0.000 0.501 12 T N -2.181 112.437 114.554 0.107 0.000 2.975 12 T HA 0.330 4.912 4.350 0.253 -0.081 0.257 12 T C 0.465 175.197 174.700 0.053 0.000 1.003 12 T CA -1.596 60.591 62.100 0.146 0.000 0.932 12 T CB 2.349 71.293 68.868 0.128 0.000 1.087 12 T HN 0.054 8.340 8.240 0.077 0.000 0.512 13 G N 1.036 109.855 108.800 0.032 0.000 2.250 13 G HA2 -0.227 4.001 3.960 -0.002 0.000 0.196 13 G HA3 -0.227 3.992 3.960 0.026 -0.243 0.196 13 G C -1.421 173.490 174.900 0.017 0.000 1.308 13 G CA -0.688 44.420 45.100 0.014 0.000 1.207 13 G HN -0.754 7.563 8.290 0.045 0.000 0.505 14 G N -0.415 108.396 108.800 0.018 0.000 2.756 14 G HA2 -0.302 3.757 3.960 0.064 0.000 0.678 14 G HA3 -0.302 3.693 3.960 0.058 0.000 0.678 14 G C 0.907 175.869 174.900 0.102 0.000 1.349 14 G CA -0.305 44.831 45.100 0.059 0.000 0.847 14 G HN -0.200 8.095 8.290 0.009 0.000 0.548 15 T N 1.920 116.563 114.554 0.148 0.000 2.881 15 T HA -0.337 4.141 4.350 0.214 0.000 0.270 15 T C 2.176 176.894 174.700 0.030 0.000 1.068 15 T CA 4.338 66.527 62.100 0.148 0.000 1.131 15 T CB -0.262 68.728 68.868 0.204 0.000 0.871 15 T HN 0.428 8.762 8.240 0.157 0.000 0.479 16 I N -0.195 120.404 120.570 0.048 0.000 2.423 16 I HA -0.345 3.827 4.170 0.003 0.000 0.254 16 I C 0.047 176.170 176.117 0.010 0.000 1.151 16 I CA 2.408 63.721 61.300 0.022 0.000 1.421 16 I CB -0.053 37.971 38.000 0.041 0.000 1.079 16 I HN 0.025 8.260 8.210 0.076 0.021 0.431 17 A N -3.123 119.712 122.820 0.025 0.000 2.507 17 A HA 0.175 4.502 4.320 0.012 0.000 0.270 17 A C -0.954 176.646 177.584 0.027 0.000 1.318 17 A CA -1.386 50.664 52.037 0.022 0.000 0.924 17 A CB 0.689 19.706 19.000 0.030 0.000 1.061 17 A HN -0.620 7.423 8.150 0.041 0.132 0.516 18 G N -1.909 106.902 108.800 0.018 0.000 2.437 18 G HA2 0.613 4.604 3.960 0.074 0.000 0.319 18 G HA3 0.613 4.770 3.960 0.097 -0.139 0.319 18 G C -2.327 172.563 174.900 -0.016 0.000 1.158 18 G CA -1.244 43.885 45.100 0.048 0.000 0.899 18 G HN -0.319 7.791 8.290 -0.006 0.177 0.502 19 S N -1.239 114.489 115.700 0.047 0.000 2.564 19 S HA 0.565 5.018 4.470 -0.029 0.000 0.274 19 S C -1.644 173.003 174.600 0.078 0.000 1.124 19 S CA -1.288 56.924 58.200 0.020 0.000 0.869 19 S CB 3.490 66.704 63.200 0.022 0.000 1.105 19 S HN -0.107 8.275 8.310 0.120 0.000 0.472 20 A N 1.112 123.959 122.820 0.046 0.000 2.532 20 A HA 0.560 4.935 4.320 0.091 0.000 0.290 20 A C -0.913 176.693 177.584 0.036 0.000 1.143 20 A CA -1.054 51.026 52.037 0.071 0.000 0.728 20 A CB 2.094 21.153 19.000 0.099 0.000 1.317 20 A HN 0.054 8.210 8.150 0.009 0.000 0.414 21 A N 0.243 123.085 122.820 0.037 0.000 1.969 21 A HA -0.160 4.172 4.320 0.019 0.000 0.218 21 A C 0.268 177.861 177.584 0.015 0.000 1.169 21 A CA 2.187 54.238 52.037 0.023 0.000 0.635 21 A CB 0.232 19.245 19.000 0.021 0.000 0.810 21 A HN 0.833 9.010 8.150 0.046 0.000 0.445 22 T N -5.480 109.084 114.554 0.017 0.000 2.916 22 T HA 0.192 4.546 4.350 0.006 0.000 0.292 22 T C 1.194 175.897 174.700 0.005 0.000 1.064 22 T CA -2.333 59.773 62.100 0.010 0.000 1.011 22 T CB 2.307 71.182 68.868 0.012 0.000 1.152 22 T HN -0.833 7.396 8.240 0.024 0.026 0.510 23 G N 0.028 108.827 108.800 -0.001 0.000 2.572 23 G HA2 -0.058 3.896 3.960 -0.009 0.000 0.216 23 G HA3 -0.058 4.092 3.960 -0.017 -0.200 0.216 23 G C 0.476 175.372 174.900 -0.007 0.000 1.133 23 G CA 1.364 46.459 45.100 -0.009 0.000 0.791 23 G HN 0.431 8.721 8.290 0.000 0.000 0.538 24 T N -3.011 111.545 114.554 0.003 0.000 3.081 24 T HA -0.181 4.172 4.350 0.005 0.000 0.255 24 T C -0.098 174.614 174.700 0.020 0.000 1.113 24 T CA 0.599 62.704 62.100 0.009 0.000 1.082 24 T CB 0.101 68.975 68.868 0.010 0.000 0.939 24 T HN -0.644 7.550 8.240 0.005 0.049 0.506 25 Q N 2.971 122.788 119.800 0.029 0.000 2.323 25 Q HA -0.014 4.365 4.340 0.065 0.000 0.257 25 Q C -0.286 175.760 176.000 0.077 0.000 1.022 25 Q CA 0.281 56.121 55.803 0.063 0.000 0.919 25 Q CB 0.095 28.880 28.738 0.078 0.000 1.220 25 Q HN -0.779 7.463 8.270 0.022 0.042 0.427 26 T N 3.508 118.125 114.554 0.104 0.000 3.040 26 T HA 0.176 4.542 4.350 0.026 0.000 0.266 26 T C -0.773 174.109 174.700 0.304 0.000 1.005 26 T CA -0.898 61.270 62.100 0.113 0.000 0.906 26 T CB 0.815 69.713 68.868 0.051 0.000 1.082 26 T HN -0.077 8.221 8.240 0.096 0.000 0.531 27 T N -1.757 112.970 114.554 0.288 0.000 2.903 27 T HA 0.101 4.588 4.350 0.229 0.000 0.299 27 T C 0.009 174.745 174.700 0.059 0.000 1.093 27 T CA -0.856 61.352 62.100 0.180 0.000 1.002 27 T CB 2.704 71.615 68.868 0.072 0.000 1.127 27 T HN -0.802 7.571 8.240 0.221 0.000 0.488 28 G N 0.124 108.795 108.800 -0.216 0.000 2.153 28 G HA2 -0.248 3.648 3.960 -0.107 0.000 0.252 28 G HA3 -0.248 3.553 3.960 -0.266 0.000 0.252 28 G C -1.076 173.703 174.900 -0.201 0.000 0.994 28 G CA 0.420 45.389 45.100 -0.218 0.000 0.698 28 G HN 0.100 8.195 8.290 -0.324 0.000 0.521 29 Y N -4.159 116.142 120.300 0.003 0.000 2.282 29 Y HA -0.110 4.441 4.550 0.003 0.000 0.335 29 Y C -1.295 174.607 175.900 0.004 0.000 1.335 29 Y CA -3.073 55.029 58.100 0.004 0.000 1.529 29 Y CB 1.263 39.727 38.460 0.007 0.000 1.429 29 Y HN -0.859 6.873 8.280 -0.830 0.051 0.563 30 K N 2.017 122.556 120.400 0.233 0.000 2.268 30 K HA 0.181 4.525 4.320 0.040 0.000 0.276 30 K C -1.170 175.571 176.600 0.235 0.000 1.080 30 K CA -1.117 55.251 56.287 0.135 0.000 0.910 30 K CB 0.782 33.331 32.500 0.082 0.000 1.163 30 K HN -0.171 8.256 8.250 0.296 0.000 0.465 31 A N 5.769 128.697 122.820 0.180 0.000 2.351 31 A HA -0.094 4.381 4.320 0.257 0.000 0.257 31 A C 0.203 177.843 177.584 0.094 0.000 1.087 31 A CA 0.562 52.712 52.037 0.187 0.000 0.798 31 A CB 0.368 19.463 19.000 0.159 0.000 1.033 31 A HN 0.434 8.633 8.150 0.081 0.000 0.488 32 G N 0.308 109.153 108.800 0.075 0.000 2.225 32 G HA2 -0.339 3.640 3.960 0.032 0.000 0.264 32 G HA3 -0.339 3.764 3.960 0.038 -0.120 0.264 32 G C -0.911 174.011 174.900 0.037 0.000 1.060 32 G CA 0.625 45.751 45.100 0.043 0.000 0.833 32 G HN 0.005 8.346 8.290 0.086 0.000 0.498 33 A N -1.366 121.480 122.820 0.044 0.000 2.085 33 A HA 0.100 4.437 4.320 0.028 0.000 0.208 33 A C -0.242 177.355 177.584 0.023 0.000 1.191 33 A CA 0.565 52.622 52.037 0.033 0.000 0.799 33 A CB 1.653 20.678 19.000 0.043 0.000 0.877 33 A HN -0.249 7.933 8.150 0.053 0.000 0.473 34 L N -0.793 120.443 121.223 0.021 0.000 2.343 34 L HA 0.065 4.412 4.340 0.012 0.000 0.275 34 L C 0.149 177.027 176.870 0.014 0.000 1.056 34 L CA -1.024 53.824 54.840 0.014 0.000 0.804 34 L CB 1.447 43.512 42.059 0.010 0.000 1.203 34 L HN -0.567 7.679 8.230 0.025 0.000 0.440 35 G N -0.552 108.254 108.800 0.010 0.000 2.507 35 G HA2 0.131 4.097 3.960 0.009 0.000 0.271 35 G HA3 0.131 4.228 3.960 0.014 -0.129 0.271 35 G C -0.096 174.810 174.900 0.011 0.000 1.189 35 G CA -1.117 43.990 45.100 0.011 0.000 0.859 35 G HN -0.129 8.166 8.290 0.008 0.000 0.542 36 V N 1.205 121.128 119.914 0.014 0.000 2.392 36 V HA -0.335 3.792 4.120 0.012 0.000 0.249 36 V C 0.875 176.973 176.094 0.006 0.000 1.059 36 V CA 2.913 65.220 62.300 0.012 0.000 1.051 36 V CB 0.115 31.948 31.823 0.016 0.000 0.658 36 V HN -0.029 8.462 8.190 0.016 -0.291 0.455 37 D N -2.877 117.526 120.400 0.006 0.000 2.178 37 D HA -0.200 4.441 4.640 0.002 0.000 0.202 37 D C 2.011 178.312 176.300 0.001 0.000 0.974 37 D CA 3.552 57.553 54.000 0.003 0.000 0.841 37 D CB -1.002 39.799 40.800 0.002 0.000 0.953 37 D HN 0.501 8.858 8.370 0.007 0.017 0.478 38 T N 3.081 117.637 114.554 0.002 0.000 2.788 38 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 38 T C 1.786 176.485 174.700 -0.001 0.000 1.044 38 T CA 4.322 66.422 62.100 0.000 0.000 1.139 38 T CB -0.198 68.671 68.868 0.001 0.000 0.867 38 T HN -0.696 7.546 8.240 0.003 0.000 0.454 39 L N 0.314 121.538 121.223 0.000 0.000 2.017 39 L HA -0.442 3.896 4.340 -0.003 0.000 0.208 39 L C 1.869 178.737 176.870 -0.003 0.000 1.073 39 L CA 3.007 57.846 54.840 -0.001 0.000 0.745 39 L CB -0.558 41.502 42.059 0.002 0.000 0.894 39 L HN -0.856 7.375 8.230 0.003 0.000 0.432 40 I N -1.758 118.810 120.570 -0.003 0.000 2.163 40 I HA -0.545 3.621 4.170 -0.005 0.000 0.243 40 I C 2.443 178.557 176.117 -0.004 0.000 1.085 40 I CA 3.988 65.286 61.300 -0.004 0.000 1.347 40 I CB -0.227 37.771 38.000 -0.004 0.000 1.044 40 I HN -0.286 7.923 8.210 -0.001 0.000 0.408 41 N N -1.008 117.690 118.700 -0.003 0.000 2.512 41 N HA -0.151 4.587 4.740 -0.004 0.000 0.183 41 N C 0.613 176.120 175.510 -0.005 0.000 1.073 41 N CA 1.715 54.763 53.050 -0.004 0.000 0.911 41 N CB -0.551 37.934 38.487 -0.003 0.000 0.964 41 N HN -0.188 8.190 8.380 -0.003 0.000 0.447 42 A N -1.473 121.344 122.820 -0.005 0.000 2.119 42 A HA -0.006 4.310 4.320 -0.007 0.000 0.216 42 A C -0.029 177.551 177.584 -0.007 0.000 1.152 42 A CA 1.216 53.249 52.037 -0.007 0.000 0.708 42 A CB 0.745 19.740 19.000 -0.008 0.000 0.805 42 A HN -0.484 7.513 8.150 -0.005 0.150 0.460 43 V N -1.714 118.196 119.914 -0.007 0.000 2.464 43 V HA 0.567 4.683 4.120 -0.007 0.000 0.255 43 V C -2.233 173.857 176.094 -0.007 0.000 0.946 43 V CA -3.478 58.817 62.300 -0.007 0.000 0.988 43 V CB 1.771 33.589 31.823 -0.008 0.000 1.210 43 V HN -0.686 7.343 8.190 -0.006 0.157 0.523 44 P HA 0.227 4.644 4.420 -0.006 0.000 0.234 44 P C 0.892 178.189 177.300 -0.006 0.000 1.167 44 P CA 1.154 64.251 63.100 -0.006 0.000 0.763 44 P CB 0.209 31.906 31.700 -0.005 0.000 0.835 45 E N -0.144 120.052 120.200 -0.006 0.000 2.267 45 E HA -0.229 4.117 4.350 -0.006 0.000 0.197 45 E C 2.276 178.872 176.600 -0.008 0.000 0.998 45 E CA 2.971 59.367 56.400 -0.007 0.000 0.830 45 E CB -1.010 28.685 29.700 -0.007 0.000 0.751 45 E HN 0.561 8.869 8.360 -0.006 0.048 0.491 46 V N -3.933 115.976 119.914 -0.008 0.000 2.469 46 V HA -0.358 3.756 4.120 -0.010 0.000 0.251 46 V C 1.182 177.271 176.094 -0.008 0.000 1.064 46 V CA 3.400 65.695 62.300 -0.009 0.000 1.066 46 V CB -1.144 30.673 31.823 -0.010 0.000 0.667 46 V HN -0.228 7.921 8.190 -0.008 0.036 0.461 47 K N -1.409 118.987 120.400 -0.007 0.000 2.439 47 K HA -0.054 4.408 4.320 -0.006 -0.146 0.197 47 K C 1.199 177.795 176.600 -0.006 0.000 1.041 47 K CA 1.610 57.893 56.287 -0.006 0.000 0.970 47 K CB -0.390 32.107 32.500 -0.005 0.000 0.773 47 K HN -0.429 7.679 8.250 -0.007 0.138 0.479 48 K N -3.075 117.322 120.400 -0.006 0.000 2.305 48 K HA -0.135 4.182 4.320 -0.006 0.000 0.199 48 K C 0.802 177.397 176.600 -0.007 0.000 1.047 48 K CA 1.875 58.159 56.287 -0.006 0.000 0.976 48 K CB 0.495 32.992 32.500 -0.006 0.000 0.765 48 K HN -0.543 7.541 8.250 -0.007 0.162 0.474 49 L N -3.813 117.405 121.223 -0.008 0.000 2.463 49 L HA 0.030 4.365 4.340 -0.008 0.000 0.219 49 L C -0.913 175.953 176.870 -0.007 0.000 1.088 49 L CA 0.227 55.062 54.840 -0.008 0.000 0.849 49 L CB 1.267 43.320 42.059 -0.010 0.000 1.012 49 L HN -0.716 7.353 8.230 -0.008 0.157 0.468 50 A N -4.863 117.953 122.820 -0.007 0.000 2.608 50 A HA 0.231 4.638 4.320 -0.006 -0.090 0.292 50 A C -3.008 174.572 177.584 -0.006 0.000 1.066 50 A CA -0.812 51.221 52.037 -0.007 0.000 0.676 50 A CB 2.661 21.657 19.000 -0.008 0.000 1.277 50 A HN -0.893 7.253 8.150 -0.007 0.000 0.413 51 N N 0.243 118.940 118.700 -0.006 0.000 2.402 51 N HA 0.217 nan 4.740 nan 0.000 0.252 51 N C -1.137 174.369 175.510 -0.006 0.000 1.118 51 N CA -0.799 52.248 53.050 -0.005 0.000 0.945 51 N CB 0.645 39.129 38.487 -0.004 0.000 1.147 51 N HN -0.052 8.324 8.380 -0.005 0.000 0.495 52 V N 0.424 120.335 119.914 -0.006 0.000 2.547 52 V HA 0.928 5.272 4.120 -0.009 -0.229 0.299 52 V C -0.632 175.459 176.094 -0.006 0.000 1.040 52 V CA -2.760 59.536 62.300 -0.008 0.000 0.913 52 V CB 1.744 33.562 31.823 -0.009 0.000 0.992 52 V HN -0.072 8.114 8.190 -0.006 0.000 0.449 53 K N 5.480 125.877 120.400 -0.006 0.000 2.507 53 K HA 0.316 4.635 4.320 -0.002 0.000 0.252 53 K C -1.155 175.444 176.600 -0.003 0.000 0.943 53 K CA -1.297 54.988 56.287 -0.003 0.000 0.808 53 K CB 3.056 35.555 32.500 -0.001 0.000 1.142 53 K HN 0.086 8.331 8.250 -0.009 0.000 0.426 54 G N 3.032 111.832 108.800 0.001 0.000 2.390 54 G HA2 0.179 4.142 3.960 0.005 0.000 0.270 54 G HA3 0.179 4.325 3.960 0.001 -0.186 0.270 54 G C -1.501 173.407 174.900 0.012 0.000 1.211 54 G CA -0.522 44.581 45.100 0.004 0.000 0.842 54 G HN 0.290 8.580 8.290 0.001 0.000 0.519 55 E N 4.171 124.384 120.200 0.021 0.000 2.246 55 E HA 0.236 4.605 4.350 0.032 0.000 0.266 55 E C -1.740 174.897 176.600 0.062 0.000 0.880 55 E CA -1.245 55.178 56.400 0.039 0.000 0.762 55 E CB 3.475 33.202 29.700 0.045 0.000 1.180 55 E HN 0.151 8.522 8.360 0.018 0.000 0.416 56 Q N 7.920 127.754 119.800 0.057 0.000 2.441 56 Q HA 0.048 4.436 4.340 0.079 0.000 0.234 56 Q C -0.828 175.227 176.000 0.092 0.000 1.078 56 Q CA -0.074 55.768 55.803 0.066 0.000 0.907 56 Q CB -0.329 28.426 28.738 0.029 0.000 1.269 56 Q HN 0.567 8.862 8.270 0.041 0.000 0.502 57 F N 8.950 128.895 119.950 -0.009 0.000 2.149 57 F HA -0.108 4.415 4.527 -0.006 0.000 0.294 57 F C -0.425 175.372 175.800 -0.006 0.000 1.095 57 F CA 1.333 59.329 58.000 -0.006 0.000 1.276 57 F CB 1.111 40.109 39.000 -0.004 0.000 1.023 57 F HN 0.231 8.694 8.300 0.271 0.000 0.480 58 S N -3.607 112.156 115.700 0.105 0.000 2.672 58 S HA 0.027 4.439 4.470 -0.096 0.000 0.271 58 S C -2.279 172.349 174.600 0.047 0.000 1.171 58 S CA -0.491 57.711 58.200 0.003 0.000 0.817 58 S CB 2.384 65.612 63.200 0.047 0.000 1.150 58 S HN -0.553 7.898 8.310 0.235 0.000 0.478 59 N N -0.108 118.600 118.700 0.015 0.000 2.751 59 N HA 0.259 5.107 4.740 0.028 -0.091 0.234 59 N C -1.712 173.802 175.510 0.007 0.000 1.403 59 N CA 0.157 53.217 53.050 0.017 0.000 0.747 59 N CB 0.750 39.244 38.487 0.012 0.000 1.326 59 N HN 0.180 8.557 8.380 -0.004 0.000 0.532 60 M N -1.767 117.834 119.600 0.002 0.000 2.619 60 M HA 0.489 4.967 4.480 -0.003 0.000 0.297 60 M C -2.190 174.099 176.300 -0.017 0.000 1.229 60 M CA -1.392 53.904 55.300 -0.008 0.000 0.860 60 M CB 4.285 36.878 32.600 -0.012 0.000 1.741 60 M HN -0.189 8.102 8.290 0.003 0.000 0.462 61 A N 0.132 122.947 122.820 -0.008 0.000 2.477 61 A HA 0.109 4.436 4.320 0.011 0.000 0.246 61 A C 1.098 178.668 177.584 -0.023 0.000 1.078 61 A CA -0.117 51.918 52.037 -0.004 0.000 0.770 61 A CB 0.245 19.243 19.000 -0.004 0.000 1.011 61 A HN 0.431 8.577 8.150 -0.005 0.000 0.494 62 S N 3.380 119.067 115.700 -0.022 0.000 2.515 62 S HA -0.327 4.084 4.470 -0.099 0.000 0.231 62 S C 0.865 175.481 174.600 0.026 0.000 0.987 62 S CA 2.506 60.685 58.200 -0.035 0.000 0.936 62 S CB -0.304 62.894 63.200 -0.003 0.000 0.766 62 S HN 0.460 8.772 8.310 0.004 0.000 0.528 63 E N 0.152 120.365 120.200 0.021 0.000 2.333 63 E HA -0.174 4.192 4.350 0.027 0.000 0.198 63 E C 0.540 177.145 176.600 0.009 0.000 1.007 63 E CA 1.926 58.336 56.400 0.016 0.000 0.845 63 E CB -1.198 28.502 29.700 -0.001 0.000 0.766 63 E HN 0.277 8.616 8.360 0.017 0.031 0.507 64 N N -1.744 116.957 118.700 0.002 0.000 2.280 64 N HA 0.026 4.766 4.740 0.001 0.000 0.192 64 N C -0.857 174.658 175.510 0.009 0.000 1.109 64 N CA -0.508 52.542 53.050 0.001 0.000 0.855 64 N CB 0.634 39.117 38.487 -0.007 0.000 0.974 64 N HN -0.444 7.884 8.380 -0.003 0.051 0.482 65 M N 1.902 121.512 119.600 0.017 0.000 2.239 65 M HA -0.077 4.425 4.480 0.038 0.000 0.348 65 M C -0.387 175.936 176.300 0.039 0.000 1.239 65 M CA 0.722 56.045 55.300 0.040 0.000 1.114 65 M CB 0.863 33.505 32.600 0.071 0.000 1.641 65 M HN -0.681 7.501 8.290 0.015 0.117 0.453 66 T N 2.378 116.951 114.554 0.031 0.000 2.907 66 T HA 0.288 4.645 4.350 0.012 0.000 0.292 66 T C 0.791 175.478 174.700 -0.022 0.000 1.043 66 T CA -1.781 60.325 62.100 0.010 0.000 1.003 66 T CB 3.056 71.929 68.868 0.008 0.000 1.084 66 T HN -0.237 8.027 8.240 0.040 0.000 0.483 67 G N 1.751 110.527 108.800 -0.041 0.000 2.442 67 G HA2 -0.335 3.576 3.960 -0.080 0.000 0.219 67 G HA3 -0.335 3.510 3.960 -0.192 0.000 0.219 67 G C 1.074 175.892 174.900 -0.137 0.000 1.141 67 G CA 2.051 47.081 45.100 -0.117 0.000 0.763 67 G HN 0.504 8.783 8.290 -0.018 0.000 0.554 68 D N 0.831 121.200 120.400 -0.052 0.000 2.178 68 D HA -0.112 4.508 4.640 -0.033 0.000 0.202 68 D C 2.276 178.568 176.300 -0.012 0.000 0.974 68 D CA 2.809 56.792 54.000 -0.028 0.000 0.841 68 D CB -0.455 40.345 40.800 -0.000 0.000 0.953 68 D HN 0.245 8.582 8.370 -0.029 0.016 0.478 69 V N 0.190 120.110 119.914 0.011 0.000 2.379 69 V HA -0.308 3.892 4.120 0.134 0.000 0.245 69 V C 1.834 177.990 176.094 0.103 0.000 1.044 69 V CA 3.392 65.755 62.300 0.105 0.000 1.036 69 V CB -0.227 31.672 31.823 0.126 0.000 0.664 69 V HN -0.827 7.350 8.190 0.001 0.013 0.453 70 V N 0.167 120.040 119.914 -0.067 0.000 2.392 70 V HA -0.423 3.638 4.120 -0.099 0.000 0.249 70 V C 2.301 178.178 176.094 -0.362 0.000 1.059 70 V CA 3.836 66.000 62.300 -0.226 0.000 1.051 70 V CB -1.261 30.321 31.823 -0.402 0.000 0.658 70 V HN -0.153 7.988 8.190 -0.081 0.000 0.455 71 L N 0.017 121.004 121.223 -0.394 0.000 2.012 71 L HA -0.310 3.899 4.340 -0.217 0.000 0.210 71 L C 1.400 178.285 176.870 0.026 0.000 1.073 71 L CA 3.408 58.136 54.840 -0.185 0.000 0.748 71 L CB -0.587 41.426 42.059 -0.076 0.000 0.891 71 L HN 0.105 8.106 8.230 -0.365 0.010 0.431 72 K N -1.802 118.646 120.400 0.081 0.000 2.057 72 K HA -0.335 4.246 4.320 0.152 -0.170 0.207 72 K C 2.610 179.330 176.600 0.201 0.000 1.049 72 K CA 3.103 59.504 56.287 0.191 0.000 0.931 72 K CB -0.315 32.346 32.500 0.268 0.000 0.714 72 K HN -0.818 7.470 8.250 0.064 0.000 0.440 73 L N -1.002 120.244 121.223 0.038 0.000 2.012 73 L HA -0.423 3.497 4.340 -0.700 0.000 0.210 73 L C 1.477 178.270 176.870 -0.128 0.000 1.073 73 L CA 3.272 57.884 54.840 -0.379 0.000 0.748 73 L CB -0.270 41.465 42.059 -0.541 0.000 0.891 73 L HN -0.259 8.026 8.230 0.092 0.000 0.431 74 S N -1.061 114.649 115.700 0.017 0.000 2.370 74 S HA -0.450 nan 4.470 nan 0.000 0.226 74 S C 2.268 176.920 174.600 0.085 0.000 1.033 74 S CA 3.373 61.644 58.200 0.118 0.000 1.011 74 S CB -0.875 62.513 63.200 0.314 0.000 0.852 74 S HN -0.064 8.255 8.310 0.015 0.000 0.457 75 Q N 2.298 122.154 119.800 0.094 0.000 2.084 75 Q HA -0.407 3.979 4.340 0.077 0.000 0.202 75 Q C 2.466 178.503 176.000 0.062 0.000 0.978 75 Q CA 3.361 59.213 55.803 0.081 0.000 0.844 75 Q CB -0.171 28.623 28.738 0.093 0.000 0.898 75 Q HN -0.327 8.006 8.270 0.104 0.000 0.426 76 R N 0.067 120.607 120.500 0.065 0.000 2.081 76 R HA -0.235 4.327 4.340 0.070 -0.179 0.235 76 R C 2.250 178.558 176.300 0.013 0.000 1.131 76 R CA 2.192 58.327 56.100 0.058 0.000 0.960 76 R CB -0.676 29.689 30.300 0.108 0.000 0.856 76 R HN -0.305 8.011 8.270 0.076 0.000 0.436 77 V N 0.132 120.033 119.914 -0.022 0.000 2.343 77 V HA -0.497 3.598 4.120 -0.043 0.000 0.247 77 V C 1.977 178.069 176.094 -0.003 0.000 1.051 77 V CA 4.204 66.484 62.300 -0.032 0.000 1.036 77 V CB -0.961 30.829 31.823 -0.054 0.000 0.654 77 V HN -0.008 8.161 8.190 -0.034 0.000 0.451 78 N N -0.165 118.545 118.700 0.016 0.000 2.120 78 N HA -0.348 4.400 4.740 0.014 0.000 0.188 78 N C 2.513 178.032 175.510 0.015 0.000 1.024 78 N CA 3.505 56.566 53.050 0.018 0.000 0.852 78 N CB -0.155 38.349 38.487 0.028 0.000 1.003 78 N HN -0.152 8.242 8.380 0.024 0.000 0.424 79 E N 0.338 120.550 120.200 0.020 0.000 2.038 79 E HA -0.353 nan 4.350 nan 0.000 0.195 79 E C 2.274 178.882 176.600 0.012 0.000 1.000 79 E CA 2.723 59.135 56.400 0.020 0.000 0.803 79 E CB -0.052 29.665 29.700 0.028 0.000 0.750 79 E HN -0.525 7.851 8.360 0.026 0.000 0.448 80 L N -1.980 119.248 121.223 0.008 0.000 2.012 80 L HA -0.419 3.923 4.340 0.005 0.000 0.210 80 L C 2.322 179.191 176.870 -0.002 0.000 1.073 80 L CA 2.916 57.757 54.840 0.002 0.000 0.748 80 L CB -0.017 42.038 42.059 -0.007 0.000 0.891 80 L HN -0.334 7.902 8.230 0.009 0.000 0.431 81 L N -3.619 117.602 121.223 -0.003 0.000 2.376 81 L HA -0.220 4.117 4.340 -0.006 0.000 0.219 81 L C 1.765 178.634 176.870 -0.001 0.000 1.133 81 L CA 1.955 56.793 54.840 -0.003 0.000 0.816 81 L CB -0.810 41.247 42.059 -0.003 0.000 0.933 81 L HN -0.132 8.096 8.230 -0.003 0.000 0.449 82 A N -3.485 119.336 122.820 0.002 0.000 2.168 82 A HA -0.132 4.188 4.320 0.001 0.000 0.215 82 A C 0.057 177.642 177.584 0.001 0.000 1.152 82 A CA 0.512 52.551 52.037 0.002 0.000 0.716 82 A CB -0.071 18.932 19.000 0.005 0.000 0.794 82 A HN -0.584 7.531 8.150 0.003 0.037 0.465 83 R N -0.952 119.549 120.500 0.001 0.000 2.441 83 R HA 0.016 4.357 4.340 0.002 0.000 0.284 83 R C 0.895 177.195 176.300 -0.000 0.000 1.070 83 R CA -0.264 55.837 56.100 0.001 0.000 1.047 83 R CB 0.395 30.697 30.300 0.002 0.000 1.016 83 R HN -0.789 7.319 8.270 0.001 0.162 0.477 84 D N 2.662 123.062 120.400 -0.000 0.000 2.264 84 D HA -0.183 4.456 4.640 -0.002 0.000 0.208 84 D C 0.034 176.333 176.300 -0.002 0.000 0.966 84 D CA 2.468 56.467 54.000 -0.001 0.000 0.864 84 D CB -0.011 40.789 40.800 -0.001 0.000 0.933 84 D HN 0.444 8.814 8.370 0.000 0.000 0.499 85 D N -4.105 116.294 120.400 -0.001 0.000 2.325 85 D HA -0.084 4.554 4.640 -0.002 0.000 0.225 85 D C -0.804 175.494 176.300 -0.003 0.000 1.096 85 D CA -0.284 53.715 54.000 -0.002 0.000 0.844 85 D CB -0.492 40.307 40.800 -0.001 0.000 0.925 85 D HN -0.099 8.227 8.370 -0.001 0.043 0.513 86 V N 0.342 120.254 119.914 -0.003 0.000 2.444 86 V HA 0.118 4.234 4.120 -0.006 0.000 0.294 86 V C -1.549 174.542 176.094 -0.006 0.000 1.022 86 V CA -1.222 61.075 62.300 -0.006 0.000 0.850 86 V CB 1.822 33.642 31.823 -0.007 0.000 0.992 86 V HN -0.877 7.236 8.190 -0.003 0.075 0.426 87 D N 5.836 126.232 120.400 -0.006 0.000 2.366 87 D HA 0.121 4.759 4.640 -0.004 0.000 0.205 87 D C -0.514 175.782 176.300 -0.006 0.000 1.022 87 D CA 1.448 55.446 54.000 -0.005 0.000 0.868 87 D CB 1.920 42.718 40.800 -0.003 0.000 0.953 87 D HN 0.472 8.838 8.370 -0.007 0.000 0.514 88 G N -4.796 103.998 108.800 -0.011 0.000 2.466 88 G HA2 0.126 4.079 3.960 -0.011 0.000 0.291 88 G HA3 0.126 4.172 3.960 -0.014 -0.094 0.291 88 G C -3.758 171.125 174.900 -0.029 0.000 1.460 88 G CA 0.260 45.351 45.100 -0.015 0.000 0.791 88 G HN -0.891 7.392 8.290 -0.012 0.000 0.505 89 V N -0.702 119.185 119.914 -0.045 0.000 2.760 89 V HA 0.924 nan 4.120 nan 0.000 0.309 89 V C -2.180 173.853 176.094 -0.102 0.000 1.077 89 V CA -2.118 60.138 62.300 -0.075 0.000 0.910 89 V CB 3.949 35.716 31.823 -0.094 0.000 1.008 89 V HN 0.158 8.324 8.190 -0.040 0.000 0.424 90 V N 9.818 129.667 119.914 -0.109 0.000 2.398 90 V HA 0.689 4.934 4.120 -0.141 -0.210 0.286 90 V C -1.397 174.581 176.094 -0.195 0.000 1.026 90 V CA -1.698 60.524 62.300 -0.130 0.000 0.868 90 V CB 2.503 34.281 31.823 -0.075 0.000 0.982 90 V HN 0.490 8.625 8.190 -0.091 0.000 0.443 91 I N 8.256 128.631 120.570 -0.326 0.000 2.354 91 I HA 0.632 4.858 4.170 -0.279 -0.223 0.286 91 I C -0.611 175.395 176.117 -0.185 0.000 1.007 91 I CA -1.843 59.218 61.300 -0.398 0.000 1.167 91 I CB 1.870 39.312 38.000 -0.931 0.000 1.320 91 I HN 0.722 8.720 8.210 -0.353 0.000 0.458 92 T N 6.884 121.407 114.554 -0.053 0.000 2.832 92 T HA 0.375 4.936 4.350 0.055 -0.178 0.296 92 T C -0.693 174.097 174.700 0.149 0.000 0.968 92 T CA -1.329 60.798 62.100 0.045 0.000 1.107 92 T CB 0.952 69.837 68.868 0.029 0.000 0.916 92 T HN 0.138 8.340 8.240 -0.063 0.000 0.517 93 H N 6.091 125.212 119.070 0.086 0.000 3.037 93 H HA 0.567 5.197 4.556 0.123 0.000 0.355 93 H C -1.418 173.983 175.328 0.122 0.000 1.263 93 H CA -0.653 55.477 56.048 0.137 0.000 1.129 93 H CB 4.478 34.401 29.762 0.267 0.000 1.861 93 H HN 0.015 8.428 8.280 0.222 0.000 0.546 94 G N -0.449 108.406 108.800 0.092 0.000 2.527 94 G HA2 -0.072 3.947 3.960 0.100 0.000 0.248 94 G HA3 -0.072 3.985 3.960 0.163 0.000 0.248 94 G C -0.095 175.017 174.900 0.354 0.000 1.231 94 G CA -0.031 45.178 45.100 0.181 0.000 0.838 94 G HN 0.503 8.628 8.290 -0.276 0.000 0.570 95 T N -1.949 112.780 114.554 0.292 0.000 2.857 95 T HA -0.241 4.366 4.350 0.429 0.000 0.266 95 T C 1.776 176.694 174.700 0.364 0.000 1.048 95 T CA 3.014 65.354 62.100 0.401 0.000 1.139 95 T CB -0.252 68.874 68.868 0.430 0.000 0.874 95 T HN 0.382 8.769 8.240 0.246 0.000 0.455 96 D N 2.324 122.861 120.400 0.228 0.000 2.123 96 D HA -0.206 4.500 4.640 0.111 0.000 0.196 96 D C 0.969 177.360 176.300 0.152 0.000 0.992 96 D CA 2.884 56.971 54.000 0.145 0.000 0.833 96 D CB -0.388 40.466 40.800 0.089 0.000 0.954 96 D HN -0.159 8.335 8.370 0.207 0.000 0.455 97 T N -7.457 107.222 114.554 0.208 0.000 3.200 97 T HA 0.181 4.603 4.350 0.119 0.000 0.284 97 T C 0.348 175.141 174.700 0.156 0.000 1.009 97 T CA -1.673 60.534 62.100 0.179 0.000 0.907 97 T CB 1.150 70.118 68.868 0.165 0.000 1.120 97 T HN -0.561 7.818 8.240 0.257 0.015 0.534 98 V N 3.312 123.301 119.914 0.125 0.000 2.469 98 V HA -0.460 3.212 4.120 -0.746 0.000 0.251 98 V C 0.053 175.980 176.094 -0.278 0.000 1.064 98 V CA 3.518 65.651 62.300 -0.278 0.000 1.066 98 V CB -0.104 31.614 31.823 -0.175 0.000 0.667 98 V HN -0.820 7.516 8.190 0.244 0.000 0.461 99 E N -2.476 117.714 120.200 -0.017 0.000 2.150 99 E HA -0.349 4.026 4.350 0.041 0.000 0.193 99 E C 2.044 178.712 176.600 0.114 0.000 0.985 99 E CA 3.130 59.572 56.400 0.070 0.000 0.814 99 E CB -1.014 28.744 29.700 0.096 0.000 0.752 99 E HN 0.582 8.969 8.360 0.083 0.022 0.466 100 E N 0.761 120.991 120.200 0.051 0.000 2.028 100 E HA -0.291 4.198 4.350 0.232 0.000 0.190 100 E C 2.389 179.020 176.600 0.052 0.000 0.984 100 E CA 2.867 59.337 56.400 0.116 0.000 0.800 100 E CB 0.039 29.793 29.700 0.089 0.000 0.758 100 E HN -0.667 7.687 8.360 0.021 0.019 0.448 101 S N 0.880 116.513 115.700 -0.113 0.000 2.368 101 S HA -0.349 4.107 4.470 -0.024 0.000 0.225 101 S C 2.095 176.481 174.600 -0.357 0.000 1.030 101 S CA 3.217 61.311 58.200 -0.177 0.000 0.999 101 S CB -0.040 63.018 63.200 -0.237 0.000 0.844 101 S HN -0.561 7.668 8.310 -0.136 0.000 0.459 102 A N 0.944 123.275 122.820 -0.815 0.000 1.902 102 A HA -0.295 3.305 4.320 -1.199 0.000 0.217 102 A C 1.300 178.778 177.584 -0.178 0.000 1.181 102 A CA 2.956 54.467 52.037 -0.878 0.000 0.623 102 A CB -0.611 17.825 19.000 -0.939 0.000 0.818 102 A HN 0.132 7.797 8.150 -0.807 0.000 0.443 103 Y N -0.196 119.975 120.300 -0.215 0.000 2.242 103 Y HA -0.355 4.051 4.550 -0.240 0.000 0.291 103 Y C 1.357 177.239 175.900 -0.029 0.000 1.137 103 Y CA 1.785 59.782 58.100 -0.172 0.000 1.181 103 Y CB -0.098 38.207 38.460 -0.259 0.000 0.989 103 Y HN -0.721 7.576 8.280 0.027 0.000 0.527 104 F N 0.106 119.967 119.950 -0.148 0.000 2.069 104 F HA -0.474 3.868 4.527 -0.308 0.000 0.298 104 F C 1.868 177.595 175.800 -0.123 0.000 1.113 104 F CA 4.202 62.088 58.000 -0.190 0.000 1.214 104 F CB 0.141 39.086 39.000 -0.091 0.000 0.978 104 F HN -0.440 7.972 8.300 0.187 0.000 0.474 105 L N -1.926 119.442 121.223 0.241 0.000 2.141 105 L HA -0.339 4.129 4.340 0.214 0.000 0.209 105 L C 2.001 178.931 176.870 0.100 0.000 1.094 105 L CA 2.794 57.760 54.840 0.210 0.000 0.763 105 L CB -0.695 41.561 42.059 0.328 0.000 0.908 105 L HN -0.378 8.010 8.230 0.264 0.000 0.437 106 H N 0.148 119.196 119.070 -0.037 0.000 2.390 106 H HA -0.385 4.166 4.556 -0.007 0.000 0.298 106 H C 1.897 177.180 175.328 -0.075 0.000 1.106 106 H CA 4.200 60.219 56.048 -0.047 0.000 1.297 106 H CB 0.098 29.845 29.762 -0.026 0.000 1.375 106 H HN -0.155 8.227 8.280 0.170 0.000 0.509 107 L N -6.292 114.818 121.223 -0.189 0.000 2.446 107 L HA 0.040 4.299 4.340 -0.136 0.000 0.219 107 L C 0.550 177.311 176.870 -0.181 0.000 1.116 107 L CA 1.872 56.559 54.840 -0.255 0.000 0.844 107 L CB 0.284 41.981 42.059 -0.604 0.000 0.970 107 L HN -0.309 7.748 8.230 -0.237 0.031 0.457 108 T N -5.206 109.235 114.554 -0.188 0.000 2.975 108 T HA 0.248 4.694 4.350 -0.112 -0.163 0.261 108 T C 0.081 174.762 174.700 -0.032 0.000 0.984 108 T CA -0.425 61.594 62.100 -0.134 0.000 0.911 108 T CB 1.973 70.702 68.868 -0.232 0.000 1.127 108 T HN -0.529 7.444 8.240 -0.165 0.168 0.514 109 V N 4.840 124.750 119.914 -0.007 0.000 2.385 109 V HA -0.090 4.171 4.120 0.021 -0.128 0.269 109 V C -1.670 174.425 176.094 0.002 0.000 1.043 109 V CA -0.216 62.094 62.300 0.016 0.000 0.906 109 V CB -0.471 31.376 31.823 0.039 0.000 0.995 109 V HN -0.240 7.941 8.190 -0.015 0.000 0.467 110 K N 8.295 128.694 120.400 -0.001 0.000 2.535 110 K HA 0.113 4.424 4.320 -0.015 0.000 0.242 110 K C -1.278 175.319 176.600 -0.005 0.000 1.210 110 K CA -1.968 54.313 56.287 -0.010 0.000 1.178 110 K CB -2.543 29.948 32.500 -0.016 0.000 1.778 110 K HN 0.061 8.604 8.250 0.003 -0.291 0.372 111 S N -0.121 115.581 115.700 0.002 0.000 2.550 111 S HA 0.170 4.640 4.470 -0.001 0.000 0.270 111 S C -1.294 173.313 174.600 0.012 0.000 1.145 111 S CA -0.689 57.513 58.200 0.003 0.000 0.852 111 S CB 2.392 65.594 63.200 0.004 0.000 1.119 111 S HN -0.579 7.677 8.310 0.006 0.058 0.465 112 D N 2.024 122.429 120.400 0.008 0.000 2.339 112 D HA 0.094 4.750 4.640 0.027 0.000 0.217 112 D C 0.113 176.418 176.300 0.007 0.000 1.050 112 D CA 0.452 54.460 54.000 0.013 0.000 0.856 112 D CB 0.384 41.186 40.800 0.004 0.000 0.922 112 D HN 0.250 8.621 8.370 0.002 0.000 0.518 113 K N 1.437 121.840 120.400 0.005 0.000 2.355 113 K HA 0.022 4.343 4.320 0.001 0.000 0.270 113 K C -1.913 174.690 176.600 0.006 0.000 1.003 113 K CA -0.296 55.993 56.287 0.002 0.000 0.957 113 K CB -0.630 31.870 32.500 -0.001 0.000 0.939 113 K HN -0.721 7.480 8.250 0.004 0.052 0.482 114 P HA -0.093 4.338 4.420 0.019 0.000 0.268 114 P C -1.847 175.456 177.300 0.006 0.000 1.204 114 P CA -0.110 62.999 63.100 0.015 0.000 0.768 114 P CB 0.231 31.945 31.700 0.024 0.000 0.842 115 V N 4.555 124.480 119.914 0.019 0.000 2.376 115 V HA 0.475 4.739 4.120 -0.040 -0.168 0.287 115 V C -1.404 174.715 176.094 0.041 0.000 1.015 115 V CA -0.798 61.505 62.300 0.005 0.000 0.834 115 V CB 1.431 33.279 31.823 0.040 0.000 1.001 115 V HN 0.419 8.629 8.190 0.034 0.000 0.428 116 V N 7.688 127.589 119.914 -0.022 0.000 2.349 116 V HA 0.386 4.712 4.120 0.091 -0.152 0.284 116 V C -0.865 175.205 176.094 -0.039 0.000 1.014 116 V CA -1.852 60.461 62.300 0.022 0.000 0.826 116 V CB 0.705 32.534 31.823 0.009 0.000 1.009 116 V HN 0.481 8.623 8.190 -0.080 0.000 0.431 117 F N 8.329 128.244 119.950 -0.058 0.000 2.429 117 F HA 0.391 5.064 4.527 -0.058 -0.181 0.348 117 F C -1.025 174.723 175.800 -0.087 0.000 1.109 117 F CA 0.680 58.632 58.000 -0.079 0.000 1.232 117 F CB 1.543 40.464 39.000 -0.133 0.000 1.157 117 F HN 0.650 9.179 8.300 0.383 0.000 0.564 118 V N 0.917 120.884 119.914 0.087 0.000 2.925 118 V HA 0.918 5.200 4.120 -0.007 -0.167 0.311 118 V C -2.618 173.509 176.094 0.055 0.000 1.104 118 V CA -3.239 59.076 62.300 0.026 0.000 0.954 118 V CB 4.538 36.362 31.823 0.000 0.000 1.022 118 V HN 0.219 8.461 8.190 0.087 0.000 0.427 119 A N 5.568 128.398 122.820 0.018 0.000 2.568 119 A HA 0.659 5.135 4.320 0.092 -0.101 0.291 119 A C -2.727 174.892 177.584 0.058 0.000 1.159 119 A CA -0.990 51.084 52.037 0.062 0.000 0.679 119 A CB 3.212 22.251 19.000 0.065 0.000 1.285 119 A HN -0.225 7.916 8.150 -0.014 0.000 0.428 120 A N -3.271 119.604 122.820 0.092 0.000 2.520 120 A HA 0.405 4.907 4.320 0.076 -0.136 0.298 120 A C -1.480 176.169 177.584 0.108 0.000 1.051 120 A CA -0.611 51.472 52.037 0.077 0.000 0.690 120 A CB 3.155 22.172 19.000 0.029 0.000 1.281 120 A HN 0.384 8.602 8.150 0.113 0.000 0.402 121 M N -0.236 119.426 119.600 0.103 0.000 2.476 121 M HA 0.049 4.614 4.480 0.141 0.000 0.262 121 M C 0.598 176.926 176.300 0.047 0.000 1.111 121 M CA 0.001 55.365 55.300 0.106 0.000 1.127 121 M CB 0.479 33.144 32.600 0.108 0.000 1.376 121 M HN 0.175 8.956 8.290 0.092 -0.436 0.465 122 R N -1.356 119.133 120.500 -0.019 0.000 2.664 122 R HA 0.434 4.693 4.340 -0.135 0.000 0.286 122 R C -2.645 173.522 176.300 -0.221 0.000 0.967 122 R CA -3.079 52.953 56.100 -0.114 0.000 0.933 122 R CB 0.826 31.082 30.300 -0.073 0.000 1.146 122 R HN -0.506 8.063 8.270 -0.005 -0.302 0.468 123 P HA 0.158 4.579 4.420 -0.383 -0.231 0.272 123 P C 0.466 177.642 177.300 -0.206 0.000 1.240 123 P CA -0.770 62.065 63.100 -0.441 0.000 0.791 123 P CB 0.806 32.064 31.700 -0.737 0.000 0.978 124 A N 0.545 123.284 122.820 -0.135 0.000 2.019 124 A HA -0.222 4.059 4.320 -0.065 0.000 0.219 124 A C 0.903 178.447 177.584 -0.066 0.000 1.164 124 A CA 2.536 54.528 52.037 -0.074 0.000 0.644 124 A CB -0.217 18.756 19.000 -0.045 0.000 0.805 124 A HN 0.119 8.187 8.150 -0.136 0.000 0.449 125 T N -5.849 108.658 114.554 -0.078 0.000 3.113 125 T HA -0.098 4.229 4.350 -0.039 0.000 0.256 125 T C 0.181 174.847 174.700 -0.055 0.000 1.131 125 T CA 0.589 62.656 62.100 -0.054 0.000 1.074 125 T CB 0.288 69.131 68.868 -0.042 0.000 0.944 125 T HN -0.436 7.703 8.240 -0.102 0.040 0.516 126 A N 1.479 124.252 122.820 -0.079 0.000 2.386 126 A HA 0.093 4.549 4.320 -0.053 -0.168 0.248 126 A C -0.661 176.899 177.584 -0.040 0.000 1.082 126 A CA -1.043 50.956 52.037 -0.064 0.000 0.789 126 A CB 0.952 19.901 19.000 -0.085 0.000 1.025 126 A HN -0.539 7.381 8.150 -0.101 0.169 0.490 127 I N 1.529 122.083 120.570 -0.026 0.000 2.752 127 I HA -0.341 3.819 4.170 -0.017 0.000 0.289 127 I C 0.195 176.301 176.117 -0.019 0.000 1.197 127 I CA 1.714 63.003 61.300 -0.018 0.000 1.432 127 I CB -0.002 37.991 38.000 -0.011 0.000 1.359 127 I HN -0.140 7.955 8.210 -0.024 0.101 0.571 128 S N 1.555 117.246 115.700 -0.016 0.000 3.581 128 S HA -0.317 4.146 4.470 -0.012 0.000 0.354 128 S C -0.358 174.231 174.600 -0.018 0.000 1.059 128 S CA 0.864 59.056 58.200 -0.013 0.000 1.060 128 S CB -1.593 61.602 63.200 -0.008 0.000 0.908 128 S HN 0.296 8.597 8.310 -0.014 0.000 0.475 129 A N -0.139 122.665 122.820 -0.026 0.000 2.565 129 A HA -0.205 4.091 4.320 -0.040 0.000 0.237 129 A C -0.434 177.137 177.584 -0.020 0.000 1.053 129 A CA 1.047 53.064 52.037 -0.033 0.000 0.755 129 A CB 0.543 19.517 19.000 -0.043 0.000 0.980 129 A HN -0.813 7.294 8.150 -0.027 0.026 0.506 130 D N 2.586 122.977 120.400 -0.014 0.000 2.305 130 D HA -0.151 4.487 4.640 -0.003 0.000 0.206 130 D C 1.375 177.673 176.300 -0.003 0.000 0.974 130 D CA 1.777 55.776 54.000 -0.002 0.000 0.871 130 D CB 0.067 40.875 40.800 0.013 0.000 0.947 130 D HN 0.361 8.720 8.370 -0.018 0.000 0.516 131 G N 0.905 109.700 108.800 -0.007 0.000 2.440 131 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.218 131 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 131 G C -1.216 173.680 174.900 -0.007 0.000 1.154 131 G CA 2.651 47.749 45.100 -0.004 0.000 0.767 131 G HN 0.692 8.973 8.290 -0.014 0.000 0.552 132 P HA -0.234 4.180 4.420 -0.010 0.000 0.214 132 P C 1.354 178.648 177.300 -0.010 0.000 1.163 132 P CA 3.053 66.147 63.100 -0.010 0.000 0.883 132 P CB -0.133 31.560 31.700 -0.011 0.000 0.788 133 M N -3.770 115.824 119.600 -0.010 0.000 2.175 133 M HA -0.261 4.212 4.480 -0.012 0.000 0.264 133 M C 1.578 177.870 176.300 -0.013 0.000 1.063 133 M CA 2.486 57.779 55.300 -0.011 0.000 1.119 133 M CB -0.397 32.196 32.600 -0.011 0.000 1.377 133 M HN -0.330 7.955 8.290 -0.010 0.000 0.415 134 N N 0.774 119.468 118.700 -0.011 0.000 2.069 134 N HA -0.316 4.412 4.740 -0.019 0.000 0.191 134 N C 2.395 177.896 175.510 -0.015 0.000 1.031 134 N CA 2.870 55.912 53.050 -0.013 0.000 0.852 134 N CB -0.462 38.021 38.487 -0.006 0.000 1.018 134 N HN -0.385 7.990 8.380 -0.008 0.000 0.423 135 L N 0.476 121.692 121.223 -0.011 0.000 2.046 135 L HA -0.233 4.100 4.340 -0.012 0.000 0.208 135 L C 1.216 178.077 176.870 -0.014 0.000 1.077 135 L CA 2.889 57.722 54.840 -0.012 0.000 0.747 135 L CB -0.324 41.730 42.059 -0.009 0.000 0.896 135 L HN -0.088 8.137 8.230 -0.008 0.000 0.432 136 L N -0.617 120.598 121.223 -0.014 0.000 2.012 136 L HA -0.454 3.878 4.340 -0.014 0.000 0.210 136 L C 1.581 178.440 176.870 -0.017 0.000 1.073 136 L CA 3.694 58.525 54.840 -0.014 0.000 0.748 136 L CB -0.400 41.651 42.059 -0.013 0.000 0.891 136 L HN -0.227 7.995 8.230 -0.013 0.000 0.431 137 E N -1.332 118.856 120.200 -0.021 0.000 2.077 137 E HA -0.480 3.854 4.350 -0.028 0.000 0.193 137 E C 2.078 178.663 176.600 -0.024 0.000 0.989 137 E CA 3.302 59.687 56.400 -0.027 0.000 0.800 137 E CB -0.247 29.433 29.700 -0.034 0.000 0.746 137 E HN -0.199 8.149 8.360 -0.020 0.000 0.452 138 A N -0.166 122.642 122.820 -0.020 0.000 1.902 138 A HA -0.315 3.998 4.320 -0.012 0.000 0.217 138 A C 1.904 179.480 177.584 -0.013 0.000 1.181 138 A CA 3.341 55.369 52.037 -0.015 0.000 0.623 138 A CB -0.636 18.354 19.000 -0.018 0.000 0.818 138 A HN -0.202 7.936 8.150 -0.020 0.000 0.443 139 V N -0.799 119.105 119.914 -0.016 0.000 2.343 139 V HA -0.493 3.618 4.120 -0.015 0.000 0.247 139 V C 1.916 178.004 176.094 -0.009 0.000 1.051 139 V CA 3.972 66.264 62.300 -0.014 0.000 1.036 139 V CB -1.043 30.771 31.823 -0.014 0.000 0.654 139 V HN -0.206 7.974 8.190 -0.017 0.000 0.451 140 R N -0.443 120.050 120.500 -0.012 0.000 2.083 140 R HA -0.422 3.911 4.340 -0.011 0.000 0.237 140 R C 2.521 178.819 176.300 -0.003 0.000 1.137 140 R CA 3.568 59.660 56.100 -0.013 0.000 0.951 140 R CB -0.153 30.133 30.300 -0.024 0.000 0.851 140 R HN -0.565 7.696 8.270 -0.015 0.000 0.434 141 V N -1.535 118.379 119.914 0.000 0.000 2.295 141 V HA -0.370 3.775 4.120 0.041 0.000 0.246 141 V C 2.593 178.718 176.094 0.052 0.000 1.049 141 V CA 3.599 65.920 62.300 0.034 0.000 1.024 141 V CB -0.607 31.237 31.823 0.036 0.000 0.648 141 V HN -0.162 8.023 8.190 -0.008 0.000 0.447 142 A N -0.894 121.942 122.820 0.026 0.000 1.972 142 A HA -0.236 4.100 4.320 0.027 0.000 0.219 142 A C 1.627 179.221 177.584 0.016 0.000 1.169 142 A CA 2.590 54.637 52.037 0.018 0.000 0.635 142 A CB -0.468 18.530 19.000 -0.004 0.000 0.810 142 A HN -0.005 8.154 8.150 0.014 0.000 0.446 143 G N -5.075 103.732 108.800 0.013 0.000 2.880 143 G HA2 -0.067 3.895 3.960 0.004 0.000 0.209 143 G HA3 -0.067 3.897 3.960 0.006 0.000 0.209 143 G C -1.008 173.901 174.900 0.016 0.000 1.157 143 G CA -0.572 44.534 45.100 0.009 0.000 0.779 143 G HN -0.555 7.714 8.290 0.010 0.027 0.539 144 D N 0.807 121.226 120.400 0.032 0.000 2.277 144 D HA 0.088 4.743 4.640 0.026 0.000 0.249 144 D C 0.648 176.975 176.300 0.045 0.000 1.134 144 D CA -0.474 53.551 54.000 0.041 0.000 0.863 144 D CB 1.504 42.344 40.800 0.066 0.000 1.143 144 D HN -0.862 7.480 8.370 0.040 0.053 0.458 145 K N 6.160 126.577 120.400 0.028 0.000 2.160 145 K HA -0.376 3.951 4.320 0.012 0.000 0.206 145 K C 1.870 178.480 176.600 0.016 0.000 1.047 145 K CA 2.915 59.212 56.287 0.016 0.000 0.930 145 K CB -0.040 32.465 32.500 0.008 0.000 0.720 145 K HN 0.641 8.904 8.250 0.022 0.000 0.450 146 Q N -2.873 116.952 119.800 0.042 0.000 2.436 146 Q HA -0.126 4.210 4.340 -0.006 0.000 0.209 146 Q C 1.640 177.619 176.000 -0.036 0.000 0.965 146 Q CA 1.033 56.855 55.803 0.031 0.000 0.910 146 Q CB -0.760 28.043 28.738 0.107 0.000 0.980 146 Q HN -0.198 8.377 8.270 0.057 -0.271 0.491 147 S N -0.999 114.724 115.700 0.038 0.000 2.562 147 S HA -0.048 4.343 4.470 -0.131 0.000 0.221 147 S C -0.254 174.308 174.600 -0.064 0.000 0.975 147 S CA 1.393 59.594 58.200 0.002 0.000 0.918 147 S CB 0.186 63.475 63.200 0.147 0.000 0.772 147 S HN -0.386 7.788 8.310 0.073 0.179 0.531 148 R N 0.438 120.907 120.500 -0.052 0.000 2.594 148 R HA -0.243 4.205 4.340 -0.019 -0.120 0.272 148 R C 1.143 177.414 176.300 -0.049 0.000 1.074 148 R CA 1.151 57.230 56.100 -0.035 0.000 1.105 148 R CB 0.280 30.567 30.300 -0.022 0.000 1.008 148 R HN -1.000 7.181 8.270 -0.044 0.063 0.472 149 G N 3.149 111.942 108.800 -0.011 0.000 2.153 149 G HA2 -0.317 3.651 3.960 0.013 0.000 0.252 149 G HA3 -0.317 3.679 3.960 0.060 0.000 0.252 149 G C -0.349 174.585 174.900 0.057 0.000 0.994 149 G CA 0.733 45.851 45.100 0.029 0.000 0.698 149 G HN 0.511 8.800 8.290 -0.002 0.000 0.521 150 R N -0.680 119.803 120.500 -0.029 0.000 2.362 150 R HA 0.106 4.417 4.340 -0.049 0.000 0.227 150 R C -0.465 175.681 176.300 -0.257 0.000 0.905 150 R CA -0.804 55.241 56.100 -0.091 0.000 1.067 150 R CB 0.613 30.834 30.300 -0.133 0.000 1.078 150 R HN -0.270 7.948 8.270 -0.039 0.029 0.516 151 G N -2.612 105.946 108.800 -0.403 0.000 2.796 151 G HA2 -0.297 3.172 3.960 -0.817 0.000 0.571 151 G HA3 -0.297 3.299 3.960 -0.607 0.000 0.571 151 G C -0.767 174.109 174.900 -0.040 0.000 1.370 151 G CA -0.715 44.052 45.100 -0.555 0.000 0.856 151 G HN -0.431 7.682 8.290 -0.191 0.062 0.538 152 V N 0.637 120.698 119.914 0.246 0.000 2.715 152 V HA -0.182 4.149 4.120 0.143 -0.125 0.299 152 V C -0.137 176.014 176.094 0.094 0.000 1.054 152 V CA 1.066 63.480 62.300 0.189 0.000 1.077 152 V CB 0.517 32.492 31.823 0.253 0.000 0.972 152 V HN -0.188 8.364 8.190 0.603 0.000 0.484 153 M N 5.298 124.964 119.600 0.110 0.000 2.602 153 M HA 0.726 5.414 4.480 0.044 -0.182 0.312 153 M C -1.531 174.825 176.300 0.093 0.000 1.181 153 M CA -0.759 54.589 55.300 0.079 0.000 0.910 153 M CB 4.334 36.992 32.600 0.096 0.000 1.723 153 M HN 0.104 8.482 8.290 0.147 0.000 0.459 154 V N 1.306 121.237 119.914 0.029 0.000 2.444 154 V HA 0.538 4.850 4.120 0.024 -0.178 0.294 154 V C -1.642 174.423 176.094 -0.047 0.000 1.022 154 V CA -1.373 60.908 62.300 -0.031 0.000 0.850 154 V CB 1.187 32.911 31.823 -0.165 0.000 0.992 154 V HN 0.456 8.662 8.190 0.027 0.000 0.426 155 V N 9.100 128.985 119.914 -0.049 0.000 2.417 155 V HA 0.935 5.246 4.120 -0.056 -0.225 0.291 155 V C -1.363 174.683 176.094 -0.081 0.000 1.024 155 V CA -1.864 60.403 62.300 -0.054 0.000 0.861 155 V CB 1.786 33.594 31.823 -0.025 0.000 0.985 155 V HN 0.540 8.711 8.190 -0.032 0.000 0.436 156 I N 5.595 126.117 120.570 -0.080 0.000 2.746 156 I HA 0.114 4.380 4.170 -0.036 -0.118 0.290 156 I C -2.366 173.730 176.117 -0.034 0.000 1.600 156 I CA -0.099 61.172 61.300 -0.048 0.000 1.019 156 I CB 3.626 41.591 38.000 -0.059 0.000 1.426 156 I HN -0.058 8.101 8.210 -0.085 0.000 0.460 157 N N 9.433 128.125 118.700 -0.014 0.000 2.725 157 N HA -0.389 4.344 4.740 -0.012 0.000 0.251 157 N C -0.836 174.629 175.510 -0.075 0.000 1.031 157 N CA 1.599 54.638 53.050 -0.019 0.000 0.720 157 N CB -1.445 37.057 38.487 0.024 0.000 0.930 157 N HN 0.688 9.385 8.380 -0.006 -0.320 0.543 158 D N -10.627 109.723 120.400 -0.083 0.000 3.046 158 D HA -0.495 4.355 4.640 -0.082 -0.260 0.210 158 D C -1.143 175.049 176.300 -0.180 0.000 1.124 158 D CA 2.275 56.212 54.000 -0.105 0.000 0.986 158 D CB -1.014 39.736 40.800 -0.084 0.000 1.118 158 D HN -0.139 8.390 8.370 -0.064 -0.197 0.416 159 R N -3.763 116.586 120.500 -0.252 0.000 2.778 159 R HA 0.506 4.580 4.340 -0.444 0.000 0.277 159 R C -1.518 174.649 176.300 -0.222 0.000 0.977 159 R CA -2.433 53.402 56.100 -0.441 0.000 0.950 159 R CB 2.635 32.339 30.300 -0.993 0.000 1.165 159 R HN -0.601 7.489 8.270 -0.198 0.061 0.474 160 I N 0.891 121.381 120.570 -0.132 0.000 2.390 160 I HA 0.343 4.656 4.170 0.017 -0.133 0.283 160 I C -0.863 175.362 176.117 0.179 0.000 1.016 160 I CA -0.963 60.356 61.300 0.033 0.000 1.151 160 I CB 1.089 39.125 38.000 0.060 0.000 1.293 160 I HN 0.337 8.444 8.210 -0.171 0.000 0.458 161 G N 6.161 115.073 108.800 0.186 0.000 2.388 161 G HA2 0.383 4.507 3.960 0.272 0.000 0.330 161 G HA3 0.383 4.549 3.960 0.343 0.000 0.330 161 G C -2.019 172.950 174.900 0.116 0.000 1.142 161 G CA -1.841 43.408 45.100 0.250 0.000 0.908 161 G HN 0.332 8.690 8.290 0.114 0.000 0.473 162 S N 2.341 118.093 115.700 0.087 0.000 2.549 162 S HA -0.057 4.485 4.470 -0.077 -0.118 0.279 162 S C 1.287 175.762 174.600 -0.209 0.000 1.321 162 S CA -0.787 57.362 58.200 -0.085 0.000 1.054 162 S CB 0.997 64.093 63.200 -0.173 0.000 0.899 162 S HN 0.217 8.619 8.310 0.152 0.000 0.497 163 A N 9.108 131.726 122.820 -0.337 0.000 2.032 163 A HA -0.219 3.959 4.320 -0.237 0.000 0.221 163 A C 0.988 178.185 177.584 -0.646 0.000 1.165 163 A CA 2.846 54.648 52.037 -0.391 0.000 0.645 163 A CB -0.270 18.512 19.000 -0.362 0.000 0.807 163 A HN 0.434 8.399 8.150 -0.308 0.000 0.453 164 R N -3.828 116.131 120.500 -0.902 0.000 2.148 164 R HA -0.238 3.200 4.340 -1.505 0.000 0.223 164 R C 0.935 176.799 176.300 -0.727 0.000 1.088 164 R CA 1.915 57.371 56.100 -1.074 0.000 0.985 164 R CB 0.053 29.828 30.300 -0.875 0.000 0.880 164 R HN -0.629 7.033 8.270 -0.957 0.034 0.451 165 Y N -6.235 113.899 120.300 -0.277 0.000 2.607 165 Y HA 0.045 4.540 4.550 -0.093 0.000 0.276 165 Y C 0.255 176.169 175.900 0.024 0.000 1.117 165 Y CA -0.625 57.416 58.100 -0.098 0.000 1.273 165 Y CB 1.036 39.452 38.460 -0.074 0.000 1.282 165 Y HN -0.753 7.285 8.280 -0.341 0.038 0.514 166 I N -0.488 120.200 120.570 0.196 0.000 2.754 166 I HA -0.202 4.092 4.170 0.206 0.000 0.285 166 I C -0.450 175.829 176.117 0.270 0.000 1.166 166 I CA 0.186 61.623 61.300 0.227 0.000 1.417 166 I CB 1.356 39.488 38.000 0.219 0.000 1.382 166 I HN -0.351 7.925 8.210 0.109 0.000 0.588 167 T N 7.492 122.188 114.554 0.237 0.000 2.889 167 T HA 0.225 4.661 4.350 0.143 0.000 0.315 167 T C -2.073 172.610 174.700 -0.027 0.000 1.291 167 T CA -1.151 61.016 62.100 0.112 0.000 1.028 167 T CB 1.698 70.549 68.868 -0.028 0.000 1.235 167 T HN -0.055 8.327 8.240 0.237 0.000 0.491 168 K N 6.774 127.021 120.400 -0.254 0.000 2.315 168 K HA -0.036 3.564 4.320 -1.200 0.000 0.291 168 K C 0.413 176.814 176.600 -0.332 0.000 1.074 168 K CA 0.455 56.336 56.287 -0.677 0.000 0.936 168 K CB -0.068 32.083 32.500 -0.582 0.000 1.049 168 K HN -0.088 8.353 8.250 -0.100 -0.251 0.471 169 T N 4.798 119.179 114.554 -0.287 0.000 3.044 169 T HA 0.052 4.324 4.350 -0.130 0.000 0.250 169 T C 0.013 174.637 174.700 -0.128 0.000 1.081 169 T CA 0.149 62.157 62.100 -0.153 0.000 1.040 169 T CB 0.794 69.603 68.868 -0.099 0.000 0.962 169 T HN 0.450 8.475 8.240 -0.358 0.000 0.506 170 N N 0.883 119.489 118.700 -0.157 0.000 2.249 170 N HA 0.045 4.736 4.740 -0.082 0.000 0.296 170 N C -0.631 174.815 175.510 -0.107 0.000 1.051 170 N CA -0.501 52.487 53.050 -0.104 0.000 0.815 170 N CB 2.470 40.911 38.487 -0.077 0.000 1.487 170 N HN -0.433 7.814 8.380 -0.221 0.000 0.475 171 A N 3.251 126.029 122.820 -0.070 0.000 1.978 171 A HA -0.275 4.008 4.320 -0.062 0.000 0.220 171 A C -0.167 177.398 177.584 -0.032 0.000 1.170 171 A CA 2.339 54.344 52.037 -0.053 0.000 0.636 171 A CB 0.132 19.109 19.000 -0.039 0.000 0.810 171 A HN 0.593 8.706 8.150 -0.061 0.000 0.448 172 S N -9.091 106.595 115.700 -0.023 0.000 2.744 172 S HA 0.235 4.718 4.470 0.022 0.000 0.265 172 S C -0.790 173.818 174.600 0.013 0.000 1.065 172 S CA -0.115 58.089 58.200 0.006 0.000 1.191 172 S CB 2.700 65.906 63.200 0.010 0.000 1.150 172 S HN -0.259 8.301 8.310 -0.034 -0.270 0.646 173 T N 0.656 115.209 114.554 -0.003 0.000 2.918 173 T HA 0.162 4.521 4.350 0.016 0.000 0.283 173 T C 1.027 175.743 174.700 0.026 0.000 1.001 173 T CA -1.238 60.867 62.100 0.009 0.000 1.041 173 T CB 2.171 71.039 68.868 0.000 0.000 1.028 173 T HN -0.751 7.617 8.240 -0.020 -0.139 0.511 174 L N -0.507 120.739 121.223 0.038 0.000 2.131 174 L HA -0.207 4.178 4.340 0.075 0.000 0.210 174 L C 0.267 177.187 176.870 0.083 0.000 1.092 174 L CA 2.421 57.297 54.840 0.060 0.000 0.759 174 L CB -0.334 41.751 42.059 0.043 0.000 0.903 174 L HN 0.421 8.669 8.230 0.030 0.000 0.435 175 D N -7.548 112.889 120.400 0.062 0.000 2.395 175 D HA -0.028 4.675 4.640 0.105 0.000 0.226 175 D C 0.314 176.656 176.300 0.071 0.000 1.146 175 D CA -0.406 53.642 54.000 0.080 0.000 0.830 175 D CB -1.377 39.461 40.800 0.062 0.000 0.958 175 D HN -0.218 8.140 8.370 0.043 0.037 0.501 176 T N -0.081 114.481 114.554 0.013 0.000 2.759 176 T HA -0.220 4.067 4.350 -0.105 0.000 0.269 176 T C -0.636 173.944 174.700 -0.201 0.000 1.042 176 T CA 3.799 65.817 62.100 -0.136 0.000 1.140 176 T CB 0.428 69.141 68.868 -0.257 0.000 0.864 176 T HN -0.849 7.313 8.240 0.031 0.096 0.455 177 F N 0.694 120.697 119.950 0.088 0.000 2.471 177 F HA 0.442 5.251 4.527 0.089 -0.229 0.365 177 F C -0.673 175.250 175.800 0.205 0.000 1.095 177 F CA 1.330 59.403 58.000 0.121 0.000 1.174 177 F CB -0.453 38.620 39.000 0.122 0.000 1.105 177 F HN -0.208 8.218 8.300 0.209 0.000 0.535 178 R N 3.346 123.984 120.500 0.229 0.000 2.774 178 R HA 0.323 4.725 4.340 0.103 0.000 0.272 178 R C -2.063 174.227 176.300 -0.016 0.000 1.000 178 R CA -1.308 54.844 56.100 0.087 0.000 0.906 178 R CB 5.014 35.326 30.300 0.021 0.000 1.227 178 R HN -0.098 8.261 8.270 0.149 0.000 0.468 179 A N 1.716 124.417 122.820 -0.198 0.000 2.709 179 A HA 0.482 4.764 4.320 -0.064 0.000 0.332 179 A C -0.449 177.013 177.584 -0.203 0.000 1.241 179 A CA -0.944 51.006 52.037 -0.144 0.000 0.782 179 A CB 1.001 19.939 19.000 -0.102 0.000 1.109 179 A HN 0.441 8.348 8.150 -0.405 0.000 0.472 180 N N 5.876 124.492 118.700 -0.140 0.000 2.094 180 N HA -0.346 4.310 4.740 -0.141 0.000 0.191 180 N C 0.908 176.334 175.510 -0.140 0.000 1.023 180 N CA 3.131 56.102 53.050 -0.130 0.000 0.857 180 N CB -0.202 38.234 38.487 -0.084 0.000 1.013 180 N HN 0.589 8.906 8.380 -0.105 0.000 0.426 181 E N -2.322 117.787 120.200 -0.151 0.000 2.318 181 E HA 0.053 4.328 4.350 -0.125 0.000 0.193 181 E C 0.302 176.774 176.600 -0.214 0.000 0.998 181 E CA 1.418 57.724 56.400 -0.157 0.000 0.859 181 E CB 0.064 29.679 29.700 -0.142 0.000 0.812 181 E HN 0.353 8.623 8.360 -0.149 0.000 0.492 182 E N -2.418 117.604 120.200 -0.296 0.000 2.473 182 E HA 0.130 4.272 4.350 -0.347 0.000 0.204 182 E C -0.008 176.461 176.600 -0.218 0.000 0.994 182 E CA -0.696 55.473 56.400 -0.384 0.000 0.945 182 E CB 0.733 29.897 29.700 -0.894 0.000 0.990 182 E HN -0.618 7.574 8.360 -0.280 0.000 0.493 183 G N -0.334 108.326 108.800 -0.233 0.000 2.796 183 G HA2 -0.336 3.543 3.960 -0.134 0.000 0.226 183 G HA3 -0.336 3.403 3.960 -0.368 0.000 0.226 183 G C -1.492 173.264 174.900 -0.240 0.000 1.381 183 G CA -0.285 44.665 45.100 -0.251 0.000 0.867 183 G HN -0.457 7.677 8.290 -0.259 0.000 0.552 184 Y N -1.392 118.952 120.300 0.073 0.000 2.320 184 Y HA -0.041 4.574 4.550 0.108 0.000 0.324 184 Y C 0.153 176.126 175.900 0.121 0.000 1.190 184 Y CA -0.366 57.791 58.100 0.096 0.000 1.215 184 Y CB 1.183 39.687 38.460 0.074 0.000 1.221 184 Y HN -0.076 8.181 8.280 -0.038 0.000 0.486 185 L N 0.195 121.609 121.223 0.318 0.000 2.131 185 L HA -0.218 4.277 4.340 0.258 0.000 0.210 185 L C 0.134 177.203 176.870 0.333 0.000 1.092 185 L CA 1.888 56.904 54.840 0.293 0.000 0.759 185 L CB 0.373 42.602 42.059 0.282 0.000 0.903 185 L HN 0.111 8.539 8.230 0.330 0.000 0.435 186 G N -7.633 101.316 108.800 0.248 0.000 2.550 186 G HA2 0.511 4.455 3.960 -0.048 0.000 0.293 186 G HA3 0.511 4.630 3.960 0.132 -0.080 0.293 186 G C -3.286 171.613 174.900 -0.002 0.000 1.402 186 G CA 0.171 45.325 45.100 0.090 0.000 0.784 186 G HN -0.700 7.721 8.290 0.254 0.022 0.482 187 V N -5.381 114.507 119.914 -0.044 0.000 3.078 187 V HA 0.900 5.056 4.120 -0.131 -0.115 0.311 187 V C -2.358 173.722 176.094 -0.022 0.000 1.138 187 V CA -3.023 59.235 62.300 -0.070 0.000 1.007 187 V CB 4.112 35.895 31.823 -0.066 0.000 1.045 187 V HN 0.181 8.358 8.190 -0.022 0.000 0.432 188 I N 1.963 122.512 120.570 -0.035 0.000 2.411 188 I HA 0.656 5.047 4.170 0.037 -0.199 0.284 188 I C -1.096 175.041 176.117 0.032 0.000 1.012 188 I CA -0.928 60.373 61.300 0.001 0.000 1.119 188 I CB 1.634 39.604 38.000 -0.049 0.000 1.261 188 I HN -0.027 8.141 8.210 -0.071 0.000 0.448 189 I N 5.931 126.575 120.570 0.123 0.000 2.533 189 I HA 0.343 4.531 4.170 0.030 0.000 0.290 189 I C 0.377 176.567 176.117 0.121 0.000 1.056 189 I CA -1.802 59.547 61.300 0.082 0.000 1.057 189 I CB 2.743 40.746 38.000 0.005 0.000 1.240 189 I HN 0.162 8.508 8.210 0.226 0.000 0.423 190 G N 8.757 117.592 108.800 0.058 0.000 2.305 190 G HA2 -0.457 3.542 3.960 0.066 0.000 0.287 190 G HA3 -0.457 3.521 3.960 0.031 0.000 0.287 190 G C -0.052 174.872 174.900 0.041 0.000 1.036 190 G CA 0.695 45.825 45.100 0.051 0.000 0.887 190 G HN 0.536 8.846 8.290 0.033 0.000 0.505 191 N N -5.811 112.902 118.700 0.021 0.000 2.782 191 N HA -0.499 4.235 4.740 -0.010 0.000 0.251 191 N C -1.433 174.062 175.510 -0.024 0.000 1.101 191 N CA 1.421 54.469 53.050 -0.003 0.000 0.764 191 N CB -0.802 37.681 38.487 -0.006 0.000 1.122 191 N HN 0.244 8.618 8.380 0.021 0.018 0.561 192 R N -1.620 118.867 120.500 -0.022 0.000 2.686 192 R HA 0.295 4.544 4.340 -0.152 0.000 0.283 192 R C -2.294 173.891 176.300 -0.191 0.000 0.978 192 R CA -1.249 54.766 56.100 -0.142 0.000 0.897 192 R CB 3.160 33.332 30.300 -0.213 0.000 1.192 192 R HN -0.605 7.639 8.270 0.031 0.044 0.457 193 I N 3.860 124.248 120.570 -0.304 0.000 2.365 193 I HA 0.258 4.444 4.170 -0.225 -0.151 0.291 193 I C -0.383 175.432 176.117 -0.503 0.000 1.004 193 I CA -0.384 60.713 61.300 -0.338 0.000 1.311 193 I CB 0.911 38.689 38.000 -0.370 0.000 1.401 193 I HN 0.315 8.355 8.210 -0.283 0.000 0.491 194 Y N 6.741 126.899 120.300 -0.238 0.000 2.464 194 Y HA 0.216 4.724 4.550 -0.070 0.000 0.326 194 Y C -1.426 174.381 175.900 -0.155 0.000 0.969 194 Y CA -1.809 56.214 58.100 -0.129 0.000 1.270 194 Y CB 0.799 39.220 38.460 -0.064 0.000 1.103 194 Y HN 0.550 8.813 8.280 -0.030 0.000 0.491 195 Y N 4.651 125.019 120.300 0.114 0.000 2.316 195 Y HA 0.027 4.744 4.550 0.104 -0.105 0.331 195 Y C 0.491 176.456 175.900 0.108 0.000 1.083 195 Y CA 0.757 58.914 58.100 0.096 0.000 1.206 195 Y CB 0.318 38.812 38.460 0.056 0.000 1.195 195 Y HN 0.637 8.994 8.280 0.129 0.000 0.497 196 Q N 3.746 123.722 119.800 0.293 0.000 2.462 196 Q HA 0.121 4.566 4.340 0.174 0.000 0.224 196 Q C -0.005 176.094 176.000 0.166 0.000 0.911 196 Q CA 0.747 56.668 55.803 0.198 0.000 0.925 196 Q CB 1.806 30.649 28.738 0.174 0.000 1.063 196 Q HN 0.619 9.095 8.270 0.344 0.000 0.572 197 N N -0.465 118.345 118.700 0.183 0.000 2.284 197 N HA 0.192 5.001 4.740 0.115 0.000 0.289 197 N C -1.906 173.678 175.510 0.124 0.000 1.179 197 N CA -0.173 52.961 53.050 0.140 0.000 0.774 197 N CB 2.698 41.273 38.487 0.146 0.000 1.548 197 N HN -0.514 8.004 8.380 0.230 0.000 0.473 198 R N 0.032 120.589 120.500 0.095 0.000 2.445 198 R HA 0.281 4.662 4.340 0.068 0.000 0.308 198 R C -0.533 175.839 176.300 0.120 0.000 0.961 198 R CA -0.848 55.300 56.100 0.080 0.000 0.862 198 R CB 1.585 31.915 30.300 0.049 0.000 1.144 198 R HN 0.134 8.459 8.270 0.090 0.000 0.447 199 I N 0.685 121.336 120.570 0.134 0.000 2.648 199 I HA 0.070 nan 4.170 nan 0.000 0.284 199 I C 0.437 176.648 176.117 0.156 0.000 1.153 199 I CA 0.567 61.968 61.300 0.168 0.000 1.426 199 I CB 0.682 38.720 38.000 0.062 0.000 1.381 199 I HN 0.160 8.435 8.210 0.110 0.000 0.571 200 D N 8.465 128.961 120.400 0.161 0.000 3.110 200 D HA 0.126 4.813 4.640 0.078 0.000 0.254 200 D C -1.174 175.179 176.300 0.088 0.000 1.283 200 D CA -1.341 52.723 54.000 0.106 0.000 0.944 200 D CB -1.366 39.491 40.800 0.094 0.000 1.066 200 D HN 0.277 8.774 8.370 0.213 0.000 0.496 201 K N -2.362 118.082 120.400 0.074 0.000 2.533 201 K HA 0.261 4.572 4.320 -0.016 0.000 0.272 201 K C -1.030 175.527 176.600 -0.072 0.000 0.985 201 K CA -2.674 53.627 56.287 0.022 0.000 0.876 201 K CB 3.204 35.752 32.500 0.080 0.000 1.452 201 K HN -0.727 7.512 8.250 0.100 0.070 0.439 202 L N -0.016 121.048 121.223 -0.266 0.000 2.417 202 L HA 0.055 4.130 4.340 -0.442 0.000 0.268 202 L C -1.353 175.381 176.870 -0.228 0.000 1.158 202 L CA 0.161 54.737 54.840 -0.440 0.000 0.819 202 L CB 0.394 41.946 42.059 -0.845 0.000 1.112 202 L HN 0.123 8.163 8.230 -0.316 0.000 0.458 203 H N -3.402 115.559 119.070 -0.181 0.000 2.917 203 H HA 0.162 4.599 4.556 -0.198 0.000 0.299 203 H C -0.043 175.163 175.328 -0.204 0.000 1.418 203 H CA -1.160 54.712 56.048 -0.294 0.000 1.138 203 H CB 1.863 31.158 29.762 -0.779 0.000 1.830 203 H HN -0.526 7.411 8.280 -0.572 0.000 0.514 204 T N -3.620 110.919 114.554 -0.025 0.000 13.618 204 T HA -0.522 3.973 4.350 -0.019 -0.156 0.415 204 T C 2.126 176.806 174.700 -0.034 0.000 1.445 204 T CA 2.607 64.712 62.100 0.009 0.000 2.324 204 T CB -1.395 67.535 68.868 0.105 0.000 2.756 204 T HN 0.583 8.763 8.240 -0.101 0.000 0.458 205 T N 0.821 115.351 114.554 -0.040 0.000 3.007 205 T HA -0.199 4.124 4.350 -0.046 0.000 0.270 205 T C 1.138 175.783 174.700 -0.092 0.000 1.107 205 T CA 2.505 64.569 62.100 -0.060 0.000 1.118 205 T CB -0.401 68.439 68.868 -0.048 0.000 0.889 205 T HN 0.206 8.439 8.240 -0.012 0.000 0.506 206 R N -0.358 120.056 120.500 -0.144 0.000 2.393 206 R HA 0.203 nan 4.340 nan 0.000 0.244 206 R C -0.797 175.442 176.300 -0.102 0.000 0.920 206 R CA -0.530 55.480 56.100 -0.150 0.000 1.076 206 R CB 0.432 30.597 30.300 -0.224 0.000 1.119 206 R HN -0.454 7.660 8.270 -0.184 0.045 0.524 207 S N -0.650 115.021 115.700 -0.047 0.000 2.554 207 S HA -0.007 4.599 4.470 0.226 0.000 0.278 207 S C 0.867 175.383 174.600 -0.140 0.000 1.242 207 S CA -0.977 57.251 58.200 0.046 0.000 1.051 207 S CB 1.726 64.978 63.200 0.088 0.000 0.986 207 S HN -0.675 7.530 8.310 -0.064 0.067 0.502 208 V N -0.954 118.744 119.914 -0.361 0.000 3.461 208 V HA 0.120 4.063 4.120 -0.295 0.000 0.267 208 V C -0.032 175.687 176.094 -0.625 0.000 1.186 208 V CA 0.741 62.737 62.300 -0.506 0.000 1.154 208 V CB 0.061 31.541 31.823 -0.572 0.000 0.802 208 V HN 0.088 8.063 8.190 -0.358 0.000 0.474 209 F N 2.218 121.993 119.950 -0.292 0.000 2.652 209 F HA -0.017 4.331 4.527 -0.298 0.000 0.352 209 F C -1.121 174.547 175.800 -0.221 0.000 1.259 209 F CA -0.001 57.806 58.000 -0.323 0.000 1.249 209 F CB -2.077 36.628 39.000 -0.492 0.000 1.628 209 F HN -0.709 7.188 8.300 -0.571 0.060 0.654 210 D N 2.331 122.704 120.400 -0.045 0.000 2.317 210 D HA -0.028 4.599 4.640 -0.022 0.000 0.252 210 D C 0.137 176.444 176.300 0.012 0.000 1.174 210 D CA -0.236 53.751 54.000 -0.022 0.000 0.866 210 D CB 0.977 41.757 40.800 -0.033 0.000 1.127 210 D HN -0.417 7.855 8.370 -0.085 0.047 0.467 211 V N -0.433 119.498 119.914 0.028 0.000 3.159 211 V HA 0.270 4.427 4.120 0.062 0.000 0.333 211 V C -0.305 175.831 176.094 0.070 0.000 1.424 211 V CA -1.294 61.045 62.300 0.065 0.000 1.125 211 V CB 0.324 32.217 31.823 0.118 0.000 1.075 211 V HN 0.095 8.298 8.190 0.022 0.000 0.482 212 R N 2.087 122.616 120.500 0.048 0.000 2.583 212 R HA -0.372 4.000 4.340 0.052 0.000 0.274 212 R C 0.600 176.927 176.300 0.045 0.000 0.998 212 R CA 1.997 58.124 56.100 0.045 0.000 1.081 212 R CB -0.203 30.114 30.300 0.029 0.000 0.940 212 R HN -0.536 7.994 8.270 0.036 -0.239 0.413 213 G N 2.457 111.286 108.800 0.047 0.000 2.234 213 G HA2 -0.404 3.578 3.960 0.037 0.000 0.260 213 G HA3 -0.404 3.580 3.960 0.040 0.000 0.260 213 G C -0.838 174.091 174.900 0.048 0.000 0.987 213 G CA 0.141 45.266 45.100 0.042 0.000 0.625 213 G HN 0.305 8.625 8.290 0.051 0.000 0.532 214 L N -0.551 120.708 121.223 0.060 0.000 2.452 214 L HA -0.035 4.338 4.340 0.055 0.000 0.267 214 L C -0.682 176.225 176.870 0.061 0.000 1.188 214 L CA 0.314 55.192 54.840 0.064 0.000 0.821 214 L CB 0.462 42.571 42.059 0.083 0.000 1.102 214 L HN -0.635 7.550 8.230 0.065 0.084 0.470 215 T N -4.936 109.649 114.554 0.053 0.000 3.058 215 T HA 0.205 4.582 4.350 0.046 0.000 0.278 215 T C -0.498 174.226 174.700 0.041 0.000 0.974 215 T CA -0.273 61.854 62.100 0.044 0.000 0.893 215 T CB 0.874 69.763 68.868 0.034 0.000 1.138 215 T HN -0.121 8.150 8.240 0.051 0.000 0.529 216 S N 0.467 116.196 115.700 0.049 0.000 2.596 216 S HA 0.281 4.978 4.470 0.039 -0.204 0.270 216 S C -2.169 172.470 174.600 0.063 0.000 1.155 216 S CA -0.352 57.876 58.200 0.046 0.000 0.827 216 S CB 2.381 65.605 63.200 0.041 0.000 1.130 216 S HN -0.624 7.719 8.310 0.055 0.000 0.467 217 L N 2.563 123.825 121.223 0.064 0.000 2.371 217 L HA 0.434 4.828 4.340 0.091 0.000 0.262 217 L C -2.270 174.642 176.870 0.070 0.000 1.006 217 L CA -2.719 52.171 54.840 0.083 0.000 0.818 217 L CB 1.206 43.329 42.059 0.107 0.000 1.354 217 L HN 0.274 8.535 8.230 0.052 0.000 0.415 218 P HA -0.009 4.448 4.420 0.062 0.000 0.266 218 P C -1.390 175.950 177.300 0.066 0.000 1.195 218 P CA -0.137 63.003 63.100 0.067 0.000 0.768 218 P CB 0.502 32.244 31.700 0.070 0.000 0.838 219 K N 3.516 123.953 120.400 0.061 0.000 2.339 219 K HA -0.119 4.235 4.320 0.057 0.000 0.286 219 K C -1.949 174.688 176.600 0.063 0.000 1.050 219 K CA 0.440 56.763 56.287 0.060 0.000 0.956 219 K CB 0.199 32.734 32.500 0.059 0.000 0.990 219 K HN 0.295 8.580 8.250 0.059 0.000 0.475 220 V N 6.995 126.946 119.914 0.063 0.000 2.577 220 V HA 0.558 4.928 4.120 0.064 -0.212 0.303 220 V C -1.347 174.780 176.094 0.055 0.000 1.042 220 V CA -1.765 60.575 62.300 0.066 0.000 0.872 220 V CB 3.088 34.961 31.823 0.082 0.000 0.998 220 V HN 0.216 8.442 8.190 0.060 0.000 0.423 221 D N 7.085 127.511 120.400 0.044 0.000 2.326 221 D HA 0.421 nan 4.640 nan 0.000 0.248 221 D C -1.658 174.660 176.300 0.031 0.000 1.001 221 D CA -1.544 52.472 54.000 0.026 0.000 0.961 221 D CB 3.353 44.153 40.800 -0.000 0.000 1.183 221 D HN -0.174 8.223 8.370 0.045 0.000 0.502 222 I N -0.533 120.052 120.570 0.025 0.000 2.406 222 I HA 0.675 5.111 4.170 0.056 -0.233 0.290 222 I C -0.257 175.879 176.117 0.032 0.000 0.999 222 I CA -1.102 60.224 61.300 0.043 0.000 1.124 222 I CB 1.820 39.854 38.000 0.056 0.000 1.289 222 I HN 0.101 8.322 8.210 0.017 0.000 0.441 223 L N 6.614 127.863 121.223 0.043 0.000 2.329 223 L HA 0.433 4.792 4.340 0.032 0.000 0.279 223 L C -1.312 175.670 176.870 0.188 0.000 1.014 223 L CA -1.495 53.369 54.840 0.040 0.000 0.814 223 L CB 2.819 44.758 42.059 -0.200 0.000 1.257 223 L HN 0.307 8.577 8.230 0.065 0.000 0.424 224 Y N 3.722 124.074 120.300 0.086 0.000 2.301 224 Y HA -0.030 4.527 4.550 0.011 0.000 0.328 224 Y C 0.327 176.391 175.900 0.274 0.000 1.242 224 Y CA 0.471 58.647 58.100 0.127 0.000 1.323 224 Y CB 1.728 40.264 38.460 0.127 0.000 1.266 224 Y HN 0.256 8.728 8.280 0.320 0.000 0.527 225 G N 3.142 111.874 108.800 -0.114 0.000 2.415 225 G HA2 0.390 4.283 3.960 -0.111 0.000 0.327 225 G HA3 0.390 4.483 3.960 0.221 0.000 0.327 225 G C -2.936 172.044 174.900 0.132 0.000 1.182 225 G CA -0.849 44.275 45.100 0.040 0.000 0.924 225 G HN 0.141 8.047 8.290 -0.640 0.000 0.470 226 Y N -2.736 117.595 120.300 0.051 0.000 2.774 226 Y HA 0.088 4.656 4.550 0.029 0.000 0.346 226 Y C -2.436 173.509 175.900 0.075 0.000 1.222 226 Y CA -1.981 56.161 58.100 0.069 0.000 1.088 226 Y CB 0.343 38.900 38.460 0.162 0.000 1.354 226 Y HN -0.214 8.008 8.280 -0.097 0.000 0.455 227 Q N 2.387 122.294 119.800 0.180 0.000 2.315 227 Q HA -0.140 4.213 4.340 0.021 0.000 0.289 227 Q C -0.000 176.020 176.000 0.034 0.000 1.044 227 Q CA 2.083 57.932 55.803 0.077 0.000 0.920 227 Q CB 0.079 28.882 28.738 0.107 0.000 1.214 227 Q HN 0.154 8.575 8.270 0.252 0.000 0.392 228 D N -2.357 118.017 120.400 -0.044 0.000 3.041 228 D HA -0.254 4.363 4.640 -0.038 0.000 0.220 228 D C -0.720 175.459 176.300 -0.200 0.000 1.157 228 D CA 0.993 54.965 54.000 -0.046 0.000 0.876 228 D CB -1.014 39.822 40.800 0.060 0.000 1.107 228 D HN 0.272 8.618 8.370 -0.040 0.000 0.422 229 D N -1.496 118.604 120.400 -0.500 0.000 2.488 229 D HA -0.033 3.944 4.640 -1.106 0.000 0.238 229 D C -1.533 174.612 176.300 -0.259 0.000 1.138 229 D CA -0.851 52.706 54.000 -0.739 0.000 0.873 229 D CB -0.044 40.289 40.800 -0.778 0.000 1.183 229 D HN -0.647 7.417 8.370 -0.443 0.040 0.458 230 P HA 0.205 4.604 4.420 -0.034 0.000 0.290 230 P C 0.123 177.374 177.300 -0.082 0.000 1.275 230 P CA -0.963 62.068 63.100 -0.114 0.000 0.841 230 P CB 2.238 33.812 31.700 -0.210 0.000 1.042 231 E N 2.909 123.118 120.200 0.014 0.000 2.153 231 E HA -0.385 4.043 4.350 0.130 0.000 0.194 231 E C 1.445 178.122 176.600 0.129 0.000 0.988 231 E CA 3.067 59.518 56.400 0.084 0.000 0.811 231 E CB -0.169 29.549 29.700 0.030 0.000 0.746 231 E HN 0.619 8.995 8.360 0.026 0.000 0.466 232 Y N -5.864 114.513 120.300 0.129 0.000 2.403 232 Y HA -0.117 4.664 4.550 0.102 -0.170 0.291 232 Y C 1.145 177.110 175.900 0.107 0.000 1.143 232 Y CA 0.753 58.916 58.100 0.106 0.000 1.257 232 Y CB -1.176 37.328 38.460 0.073 0.000 0.984 232 Y HN -0.070 8.233 8.280 0.095 0.034 0.550 233 L N -0.936 120.039 121.223 -0.412 0.000 2.156 233 L HA -0.283 nan 4.340 nan 0.000 0.208 233 L C 1.896 178.673 176.870 -0.156 0.000 1.095 233 L CA 1.625 56.302 54.840 -0.272 0.000 0.770 233 L CB -1.363 40.451 42.059 -0.408 0.000 0.914 233 L HN -0.543 7.274 8.230 -0.631 0.034 0.439 234 Y N -0.964 119.303 120.300 -0.056 0.000 2.145 234 Y HA -0.543 4.005 4.550 -0.003 0.000 0.286 234 Y C 2.171 178.089 175.900 0.031 0.000 1.145 234 Y CA 4.054 62.146 58.100 -0.012 0.000 1.148 234 Y CB -0.910 37.527 38.460 -0.039 0.000 0.981 234 Y HN -0.680 7.670 8.280 0.115 0.000 0.507 235 D N -1.559 118.965 120.400 0.206 0.000 2.104 235 D HA -0.413 4.313 4.640 0.143 0.000 0.194 235 D C 2.051 178.448 176.300 0.162 0.000 0.994 235 D CA 3.270 57.367 54.000 0.163 0.000 0.830 235 D CB -0.735 40.163 40.800 0.163 0.000 0.959 235 D HN -0.677 7.827 8.370 0.224 0.000 0.452 236 A N -1.065 121.864 122.820 0.181 0.000 1.902 236 A HA -0.244 4.235 4.320 0.265 0.000 0.217 236 A C 2.075 179.798 177.584 0.232 0.000 1.181 236 A CA 3.042 55.213 52.037 0.223 0.000 0.623 236 A CB -0.730 18.387 19.000 0.195 0.000 0.818 236 A HN -0.198 8.062 8.150 0.182 0.000 0.443 237 A N -0.633 122.256 122.820 0.115 0.000 1.877 237 A HA -0.285 4.091 4.320 0.095 0.000 0.216 237 A C 2.067 179.728 177.584 0.129 0.000 1.186 237 A CA 2.829 54.922 52.037 0.095 0.000 0.620 237 A CB -0.508 18.502 19.000 0.017 0.000 0.822 237 A HN -0.550 7.644 8.150 0.074 0.000 0.443 238 I N -1.512 119.129 120.570 0.117 0.000 2.163 238 I HA -0.617 3.605 4.170 0.086 0.000 0.243 238 I C 2.810 178.976 176.117 0.082 0.000 1.085 238 I CA 4.135 65.493 61.300 0.096 0.000 1.347 238 I CB -0.173 37.880 38.000 0.090 0.000 1.044 238 I HN -0.331 7.950 8.210 0.119 0.000 0.408 239 Q N -1.092 118.761 119.800 0.089 0.000 2.226 239 Q HA -0.305 4.026 4.340 -0.015 0.000 0.204 239 Q C 1.863 177.792 176.000 -0.117 0.000 0.975 239 Q CA 2.789 58.591 55.803 -0.001 0.000 0.866 239 Q CB 0.042 28.784 28.738 0.007 0.000 0.915 239 Q HN -0.255 8.088 8.270 0.122 0.000 0.440 240 H N -3.669 115.423 119.070 0.035 0.000 2.524 240 H HA 0.055 4.628 4.556 0.029 0.000 0.280 240 H C -0.287 175.059 175.328 0.029 0.000 1.018 240 H CA -0.092 55.975 56.048 0.031 0.000 1.165 240 H CB -0.115 29.665 29.762 0.030 0.000 1.411 240 H HN -0.671 7.721 8.280 0.241 0.033 0.569 241 G N -0.269 108.584 108.800 0.088 0.000 2.132 241 G HA2 -0.323 3.671 3.960 0.057 0.000 0.228 241 G HA3 -0.323 3.666 3.960 0.047 0.000 0.228 241 G C -0.057 174.886 174.900 0.072 0.000 1.000 241 G CA 0.110 45.249 45.100 0.064 0.000 0.693 241 G HN -0.474 7.689 8.290 0.078 0.174 0.515 242 V N -4.651 115.313 119.914 0.083 0.000 2.872 242 V HA -0.170 3.991 4.120 0.069 0.000 0.307 242 V C -0.689 175.442 176.094 0.062 0.000 1.072 242 V CA 0.447 62.789 62.300 0.071 0.000 1.148 242 V CB -0.242 31.621 31.823 0.067 0.000 0.954 242 V HN -0.757 7.490 8.190 0.096 0.000 0.490 243 K N 1.398 121.834 120.400 0.060 0.000 2.334 243 K HA 0.155 4.507 4.320 0.054 0.000 0.195 243 K C 0.032 176.668 176.600 0.059 0.000 1.045 243 K CA -0.207 56.115 56.287 0.058 0.000 1.004 243 K CB 1.339 33.875 32.500 0.059 0.000 0.837 243 K HN 0.329 8.616 8.250 0.062 0.000 0.510 244 G N -2.962 105.875 108.800 0.062 0.000 2.659 244 G HA2 0.690 4.690 3.960 0.066 0.000 0.296 244 G HA3 0.690 4.877 3.960 0.056 -0.193 0.296 244 G C -3.232 171.706 174.900 0.063 0.000 1.369 244 G CA -0.249 44.888 45.100 0.062 0.000 0.937 244 G HN -0.664 7.664 8.290 0.063 0.000 0.485 245 I N 0.442 121.051 120.570 0.064 0.000 2.447 245 I HA 0.596 4.987 4.170 0.058 -0.187 0.287 245 I C -1.504 174.664 176.117 0.085 0.000 1.023 245 I CA -1.044 60.298 61.300 0.070 0.000 1.083 245 I CB 3.688 41.737 38.000 0.081 0.000 1.245 245 I HN 0.319 8.565 8.210 0.061 0.000 0.434 246 V N 7.397 127.365 119.914 0.091 0.000 2.407 246 V HA 0.405 4.773 4.120 0.103 -0.186 0.278 246 V C -1.452 174.736 176.094 0.157 0.000 1.037 246 V CA -1.663 60.702 62.300 0.110 0.000 0.900 246 V CB 0.932 32.818 31.823 0.104 0.000 0.983 246 V HN 0.457 8.695 8.190 0.080 0.000 0.459 247 Y N 9.311 129.629 120.300 0.029 0.000 2.342 247 Y HA 0.408 5.145 4.550 0.031 -0.169 0.338 247 Y C -2.294 173.611 175.900 0.009 0.000 0.965 247 Y CA -2.805 55.315 58.100 0.033 0.000 1.159 247 Y CB 2.170 40.669 38.460 0.064 0.000 1.157 247 Y HN 0.582 9.005 8.280 0.237 0.000 0.486 248 A N 9.597 132.209 122.820 -0.347 0.000 2.922 248 A HA 0.213 4.346 4.320 -0.312 0.000 0.298 248 A C -1.167 175.902 177.584 -0.859 0.000 1.588 248 A CA -1.344 50.439 52.037 -0.424 0.000 1.288 248 A CB -1.351 17.552 19.000 -0.163 0.000 1.130 248 A HN 0.505 8.547 8.150 -0.179 0.000 0.557 249 G N 0.494 108.694 108.800 -1.000 0.000 2.572 249 G HA2 0.222 3.611 3.960 -0.951 0.000 0.261 249 G HA3 0.222 3.055 3.960 -1.878 0.000 0.261 249 G C -1.321 173.283 174.900 -0.493 0.000 1.197 249 G CA -1.736 42.670 45.100 -1.158 0.000 0.870 249 G HN -0.578 7.166 8.290 -0.705 0.123 0.548 250 M N 2.492 121.935 119.600 -0.261 0.000 2.238 250 M HA -0.201 4.186 4.480 -0.154 0.000 0.350 250 M C 1.297 177.555 176.300 -0.071 0.000 1.321 250 M CA 1.544 56.773 55.300 -0.119 0.000 1.097 250 M CB 0.071 32.662 32.600 -0.016 0.000 1.713 250 M HN -0.360 7.818 8.290 -0.186 0.000 0.455 251 G N 2.768 111.528 108.800 -0.066 0.000 2.652 251 G HA2 -0.451 3.498 3.960 -0.019 0.000 0.318 251 G HA3 -0.451 3.487 3.960 -0.037 0.000 0.318 251 G C -0.346 174.535 174.900 -0.032 0.000 1.295 251 G CA 0.801 45.879 45.100 -0.037 0.000 0.999 251 G HN 0.459 8.703 8.290 -0.076 0.000 0.548 252 A N 3.857 126.675 122.820 -0.005 0.000 3.074 252 A HA -0.033 4.289 4.320 0.004 0.000 0.251 252 A C -0.338 177.265 177.584 0.032 0.000 1.695 252 A CA -1.181 50.862 52.037 0.010 0.000 1.343 252 A CB -1.320 17.690 19.000 0.017 0.000 1.078 252 A HN 0.371 8.522 8.150 0.001 0.000 0.644 253 G N -0.867 107.948 108.800 0.026 0.000 2.198 253 G HA2 -0.464 3.565 3.960 0.115 0.000 0.260 253 G HA3 -0.464 3.692 3.960 0.080 -0.148 0.260 253 G C -0.084 174.941 174.900 0.209 0.000 1.025 253 G CA 0.254 45.420 45.100 0.110 0.000 0.769 253 G HN -0.231 7.971 8.290 -0.017 0.078 0.507 254 S N -0.174 115.610 115.700 0.140 0.000 2.585 254 S HA 0.058 4.580 4.470 0.088 0.000 0.273 254 S C -1.125 173.591 174.600 0.194 0.000 1.339 254 S CA 1.179 59.450 58.200 0.119 0.000 1.028 254 S CB 1.090 64.325 63.200 0.058 0.000 0.906 254 S HN -0.142 8.188 8.310 0.084 0.031 0.528 255 V N 2.329 122.282 119.914 0.064 0.000 2.638 255 V HA 0.206 4.332 4.120 0.010 0.000 0.306 255 V C 0.269 176.329 176.094 -0.057 0.000 1.052 255 V CA -2.158 60.117 62.300 -0.042 0.000 0.885 255 V CB 2.551 34.248 31.823 -0.211 0.000 0.999 255 V HN 0.233 8.440 8.190 0.029 0.000 0.424 256 S N 7.670 123.334 115.700 -0.060 0.000 2.608 256 S HA 0.010 4.451 4.470 -0.047 0.000 0.261 256 S C 0.969 175.506 174.600 -0.105 0.000 1.314 256 S CA -0.319 57.840 58.200 -0.068 0.000 0.992 256 S CB 1.134 64.295 63.200 -0.065 0.000 0.935 256 S HN 0.149 8.433 8.310 -0.043 0.000 0.564 257 V N 1.970 121.834 119.914 -0.083 0.000 2.469 257 V HA -0.271 nan 4.120 nan 0.000 0.251 257 V C 1.596 177.617 176.094 -0.122 0.000 1.064 257 V CA 2.859 65.104 62.300 -0.091 0.000 1.066 257 V CB -0.239 31.546 31.823 -0.062 0.000 0.667 257 V HN 0.470 8.621 8.190 -0.065 0.000 0.461 258 R N -0.955 119.473 120.500 -0.121 0.000 2.073 258 R HA -0.277 3.991 4.340 -0.120 0.000 0.229 258 R C 2.442 178.594 176.300 -0.247 0.000 1.120 258 R CA 3.299 59.318 56.100 -0.135 0.000 0.967 258 R CB -0.309 29.938 30.300 -0.088 0.000 0.862 258 R HN -0.620 7.565 8.270 -0.103 0.024 0.436 259 G N -0.538 108.096 108.800 -0.276 0.000 2.422 259 G HA2 -0.238 3.473 3.960 -0.414 0.000 0.218 259 G HA3 -0.238 3.293 3.960 -0.715 0.000 0.218 259 G C 1.015 175.554 174.900 -0.601 0.000 1.146 259 G CA 1.788 46.583 45.100 -0.510 0.000 0.769 259 G HN -0.375 7.795 8.290 -0.200 0.000 0.547 260 I N 2.402 122.752 120.570 -0.368 0.000 2.179 260 I HA -0.515 3.463 4.170 -0.320 0.000 0.242 260 I C 1.355 177.297 176.117 -0.293 0.000 1.088 260 I CA 3.966 65.088 61.300 -0.297 0.000 1.357 260 I CB -0.167 37.721 38.000 -0.187 0.000 1.051 260 I HN -0.146 7.889 8.210 -0.290 0.000 0.409 261 A N -1.191 121.473 122.820 -0.258 0.000 1.908 261 A HA -0.313 3.910 4.320 -0.162 0.000 0.218 261 A C 2.161 179.586 177.584 -0.265 0.000 1.181 261 A CA 3.395 55.309 52.037 -0.206 0.000 0.627 261 A CB -0.986 17.926 19.000 -0.145 0.000 0.818 261 A HN -0.427 7.578 8.150 -0.241 0.000 0.445 262 G N -2.407 106.114 108.800 -0.466 0.000 2.402 262 G HA2 -0.339 3.030 3.960 -0.985 0.000 0.216 262 G HA3 -0.339 3.471 3.960 -0.251 0.000 0.216 262 G C 1.366 175.975 174.900 -0.484 0.000 1.162 262 G CA 1.711 46.472 45.100 -0.565 0.000 0.777 262 G HN -0.387 7.581 8.290 -0.538 0.000 0.539 263 M N 1.725 120.959 119.600 -0.609 0.000 2.175 263 M HA -0.391 3.991 4.480 -0.163 0.000 0.264 263 M C 2.223 178.431 176.300 -0.153 0.000 1.063 263 M CA 4.112 59.239 55.300 -0.288 0.000 1.119 263 M CB -0.160 32.265 32.600 -0.291 0.000 1.377 263 M HN -0.114 7.710 8.290 -0.777 0.000 0.415 264 R N -1.555 118.847 120.500 -0.164 0.000 2.096 264 R HA -0.287 nan 4.340 nan 0.000 0.235 264 R C 2.413 178.674 176.300 -0.066 0.000 1.127 264 R CA 2.727 58.768 56.100 -0.099 0.000 0.968 264 R CB -0.807 29.435 30.300 -0.097 0.000 0.861 264 R HN -0.044 8.099 8.270 -0.211 0.000 0.440 265 K N -0.541 119.818 120.400 -0.067 0.000 2.057 265 K HA -0.286 4.022 4.320 -0.020 0.000 0.207 265 K C 2.273 178.874 176.600 0.002 0.000 1.049 265 K CA 3.066 59.338 56.287 -0.024 0.000 0.931 265 K CB -0.248 32.246 32.500 -0.011 0.000 0.714 265 K HN -0.524 7.666 8.250 -0.099 0.000 0.440 266 A N -0.521 122.307 122.820 0.013 0.000 1.877 266 A HA -0.319 4.034 4.320 0.055 0.000 0.216 266 A C 1.970 179.567 177.584 0.021 0.000 1.186 266 A CA 3.098 55.161 52.037 0.043 0.000 0.620 266 A CB -0.549 18.502 19.000 0.085 0.000 0.822 266 A HN -0.517 7.630 8.150 -0.004 0.000 0.443 267 L N -2.238 118.984 121.223 -0.001 0.000 2.083 267 L HA -0.307 4.189 4.340 0.002 -0.155 0.209 267 L C 3.395 180.264 176.870 -0.002 0.000 1.083 267 L CA 2.604 57.441 54.840 -0.005 0.000 0.752 267 L CB -0.266 41.780 42.059 -0.021 0.000 0.899 267 L HN -0.115 8.106 8.230 -0.014 0.000 0.433 268 E N -0.903 119.294 120.200 -0.006 0.000 2.204 268 E HA -0.270 4.077 4.350 -0.004 0.000 0.195 268 E C 1.100 177.703 176.600 0.005 0.000 0.990 268 E CA 2.418 58.816 56.400 -0.003 0.000 0.821 268 E CB -0.225 29.471 29.700 -0.007 0.000 0.750 268 E HN -0.401 7.953 8.360 -0.010 0.000 0.477 269 K N -3.976 116.431 120.400 0.012 0.000 2.417 269 K HA 0.152 4.482 4.320 0.015 0.000 0.196 269 K C 0.593 177.205 176.600 0.021 0.000 1.023 269 K CA -1.365 54.933 56.287 0.018 0.000 1.122 269 K CB 0.062 32.577 32.500 0.025 0.000 0.850 269 K HN -0.680 7.442 8.250 0.013 0.136 0.521 270 G N -1.583 107.228 108.800 0.018 0.000 2.141 270 G HA2 -0.310 3.663 3.960 0.021 0.000 0.242 270 G HA3 -0.310 3.660 3.960 0.017 0.000 0.242 270 G C -0.150 174.766 174.900 0.027 0.000 0.982 270 G CA 0.036 45.148 45.100 0.020 0.000 0.662 270 G HN -0.507 7.606 8.290 0.015 0.186 0.527 271 V N 1.433 121.366 119.914 0.031 0.000 2.614 271 V HA -0.162 4.114 4.120 0.042 -0.131 0.291 271 V C 0.111 176.224 176.094 0.031 0.000 1.049 271 V CA 0.050 62.374 62.300 0.039 0.000 1.038 271 V CB 0.296 32.150 31.823 0.052 0.000 0.980 271 V HN -0.487 7.667 8.190 0.030 0.054 0.481 272 V N 7.662 127.596 119.914 0.033 0.000 2.488 272 V HA -0.026 4.099 4.120 0.009 0.000 0.277 272 V C -1.423 174.680 176.094 0.015 0.000 1.046 272 V CA -0.682 61.629 62.300 0.018 0.000 0.986 272 V CB -0.015 31.822 31.823 0.022 0.000 0.989 272 V HN 0.003 8.217 8.190 0.040 0.000 0.475 273 V N 8.407 128.320 119.914 -0.000 0.000 2.394 273 V HA 0.430 4.739 4.120 0.035 -0.169 0.282 273 V C -1.301 174.771 176.094 -0.036 0.000 1.031 273 V CA -1.689 60.616 62.300 0.008 0.000 0.881 273 V CB 1.570 33.397 31.823 0.007 0.000 0.982 273 V HN 0.468 8.652 8.190 -0.010 0.000 0.451 274 M N 9.139 128.723 119.600 -0.026 0.000 2.134 274 M HA 0.427 4.808 4.480 -0.166 0.000 0.310 274 M C -2.731 173.578 176.300 0.015 0.000 0.966 274 M CA -1.899 53.337 55.300 -0.106 0.000 0.922 274 M CB 2.854 35.327 32.600 -0.212 0.000 1.537 274 M HN 0.803 9.105 8.290 0.021 0.000 0.424 275 R N 7.535 128.053 120.500 0.030 0.000 2.196 275 R HA 0.259 4.772 4.340 0.288 0.000 0.340 275 R C -1.103 175.244 176.300 0.077 0.000 1.043 275 R CA -0.203 55.991 56.100 0.156 0.000 0.883 275 R CB 0.211 30.613 30.300 0.170 0.000 1.078 275 R HN 0.619 8.767 8.270 -0.026 0.106 0.462 276 S N 1.764 117.496 115.700 0.053 0.000 2.618 276 S HA 0.400 4.890 4.470 0.035 0.000 0.284 276 S C -1.924 172.622 174.600 -0.089 0.000 1.102 276 S CA -1.841 56.363 58.200 0.007 0.000 0.984 276 S CB 1.669 64.887 63.200 0.031 0.000 1.280 276 S HN 0.337 8.688 8.310 0.068 0.000 0.525 277 T N -1.837 112.653 114.554 -0.106 0.000 2.912 277 T HA 0.370 4.787 4.350 -0.229 -0.204 0.299 277 T C 0.075 174.670 174.700 -0.176 0.000 1.052 277 T CA -1.659 60.346 62.100 -0.157 0.000 0.996 277 T CB 2.051 70.870 68.868 -0.080 0.000 1.070 277 T HN 0.119 8.321 8.240 -0.064 0.000 0.465 278 R N 5.370 125.714 120.500 -0.260 0.000 2.299 278 R HA 0.089 4.334 4.340 -0.159 0.000 0.197 278 R C 1.231 177.472 176.300 -0.098 0.000 0.971 278 R CA 2.042 58.005 56.100 -0.228 0.000 1.030 278 R CB 0.006 30.009 30.300 -0.496 0.000 0.932 278 R HN 0.511 8.591 8.270 -0.316 0.000 0.477 279 T N -2.248 112.252 114.554 -0.089 0.000 2.821 279 T HA -0.119 4.204 4.350 -0.046 0.000 0.267 279 T C 1.050 175.730 174.700 -0.034 0.000 1.046 279 T CA 1.842 63.911 62.100 -0.052 0.000 1.139 279 T CB 0.316 69.156 68.868 -0.047 0.000 0.871 279 T HN -0.540 7.564 8.240 -0.104 0.073 0.454 280 G N -1.031 107.748 108.800 -0.035 0.000 2.336 280 G HA2 -0.221 3.720 3.960 -0.032 0.000 0.194 280 G HA3 -0.221 3.719 3.960 -0.033 0.000 0.194 280 G C -1.195 173.687 174.900 -0.030 0.000 0.999 280 G CA -0.469 44.612 45.100 -0.032 0.000 0.669 280 G HN 0.270 8.535 8.290 -0.041 0.000 0.482 281 N N 0.328 119.012 118.700 -0.027 0.000 2.710 281 N HA 0.146 4.873 4.740 -0.021 0.000 0.257 281 N C -1.239 174.261 175.510 -0.017 0.000 1.327 281 N CA 0.045 53.080 53.050 -0.025 0.000 0.861 281 N CB 2.576 41.041 38.487 -0.037 0.000 1.532 281 N HN -0.693 7.670 8.380 -0.028 0.000 0.499 282 G N 0.127 108.919 108.800 -0.014 0.000 2.631 282 G HA2 -0.264 3.690 3.960 -0.009 0.000 0.504 282 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.504 282 G C -1.642 173.271 174.900 0.021 0.000 1.306 282 G CA -0.574 44.522 45.100 -0.006 0.000 0.897 282 G HN 0.225 8.504 8.290 -0.017 0.000 0.520 283 I N 0.321 120.907 120.570 0.027 0.000 2.331 283 I HA 0.118 4.501 4.170 0.076 -0.168 0.292 283 I C 0.147 176.297 176.117 0.055 0.000 0.998 283 I CA -2.634 58.699 61.300 0.056 0.000 1.267 283 I CB -0.004 38.029 38.000 0.054 0.000 1.386 283 I HN 0.015 8.235 8.210 0.017 0.000 0.476 284 V N 9.334 129.292 119.914 0.074 0.000 2.353 284 V HA 0.325 4.475 4.120 0.051 0.000 0.264 284 V C -1.464 174.685 176.094 0.091 0.000 1.049 284 V CA -3.163 59.178 62.300 0.068 0.000 0.896 284 V CB -0.003 31.858 31.823 0.063 0.000 1.025 284 V HN 0.134 8.378 8.190 0.090 0.000 0.475 285 P HA 0.387 4.869 4.420 0.103 0.000 0.279 285 P C -1.993 175.355 177.300 0.080 0.000 1.252 285 P CA -2.706 60.442 63.100 0.081 0.000 0.811 285 P CB -0.668 31.062 31.700 0.050 0.000 1.035 286 P HA 0.068 4.536 4.420 0.079 0.000 0.269 286 P C -1.535 175.791 177.300 0.044 0.000 1.209 286 P CA 0.292 63.437 63.100 0.075 0.000 0.776 286 P CB 0.328 32.078 31.700 0.083 0.000 0.876 287 D N 0.673 121.092 120.400 0.033 0.000 2.354 287 D HA 0.071 4.721 4.640 0.017 0.000 0.230 287 D C 0.596 176.902 176.300 0.009 0.000 1.361 287 D CA -0.439 53.572 54.000 0.018 0.000 0.992 287 D CB 0.957 41.767 40.800 0.016 0.000 1.409 287 D HN -0.357 8.034 8.370 0.034 0.000 0.573 288 E N 4.611 124.815 120.200 0.007 0.000 2.409 288 E HA -0.227 4.124 4.350 0.001 0.000 0.198 288 E C 0.221 176.817 176.600 -0.007 0.000 1.024 288 E CA 1.518 57.918 56.400 0.001 0.000 0.861 288 E CB -0.322 29.379 29.700 0.002 0.000 0.788 288 E HN 0.360 8.725 8.360 0.009 0.000 0.521 289 E N -1.798 118.397 120.200 -0.008 0.000 2.481 289 E HA -0.081 4.259 4.350 -0.017 0.000 0.195 289 E C 0.034 176.619 176.600 -0.025 0.000 1.047 289 E CA 0.394 56.785 56.400 -0.016 0.000 0.867 289 E CB 0.478 30.170 29.700 -0.014 0.000 0.858 289 E HN -0.430 8.159 8.360 -0.005 -0.232 0.513 290 L N 0.124 121.332 121.223 -0.024 0.000 2.330 290 L HA 0.306 4.616 4.340 -0.050 0.000 0.271 290 L C -2.267 174.576 176.870 -0.045 0.000 1.013 290 L CA -2.791 52.026 54.840 -0.039 0.000 0.816 290 L CB 0.720 42.762 42.059 -0.028 0.000 1.287 290 L HN -0.683 7.482 8.230 -0.016 0.054 0.435 291 P HA 0.126 4.512 4.420 -0.057 0.000 0.272 291 P C -0.742 176.524 177.300 -0.057 0.000 1.230 291 P CA -0.354 62.705 63.100 -0.069 0.000 0.788 291 P CB 0.700 32.338 31.700 -0.104 0.000 0.949 292 G N -2.822 105.949 108.800 -0.047 0.000 2.728 292 G HA2 -0.277 3.656 3.960 -0.044 0.000 0.294 292 G HA3 -0.277 3.657 3.960 -0.043 0.000 0.294 292 G C -1.163 173.710 174.900 -0.045 0.000 1.342 292 G CA -0.605 44.468 45.100 -0.045 0.000 0.866 292 G HN -0.296 7.968 8.290 -0.044 0.000 0.534 293 L N -1.173 120.007 121.223 -0.072 0.000 2.416 293 L HA 0.462 4.761 4.340 -0.067 0.000 0.263 293 L C -0.010 176.799 176.870 -0.102 0.000 1.065 293 L CA -0.987 53.792 54.840 -0.103 0.000 0.798 293 L CB 2.185 44.130 42.059 -0.189 0.000 1.267 293 L HN 0.111 8.293 8.230 -0.080 0.000 0.467 294 V N -6.002 113.848 119.914 -0.106 0.000 2.864 294 V HA 0.654 4.907 4.120 -0.036 -0.155 0.314 294 V C -0.714 175.325 176.094 -0.091 0.000 1.073 294 V CA -2.728 59.542 62.300 -0.050 0.000 0.956 294 V CB 2.985 34.833 31.823 0.042 0.000 1.023 294 V HN 0.026 8.462 8.190 -0.113 -0.314 0.435 295 S N -0.413 115.294 115.700 0.013 0.000 2.605 295 S HA 0.056 4.622 4.470 0.160 0.000 0.217 295 S C 0.164 174.924 174.600 0.268 0.000 0.958 295 S CA -0.015 58.281 58.200 0.160 0.000 0.919 295 S CB 1.291 64.600 63.200 0.182 0.000 0.780 295 S HN -0.020 8.311 8.310 0.036 0.000 0.507 296 D N 1.254 121.775 120.400 0.203 0.000 3.639 296 D HA -0.464 4.337 4.640 0.268 0.000 0.162 296 D C -0.537 175.874 176.300 0.186 0.000 1.054 296 D CA 2.580 56.729 54.000 0.249 0.000 1.085 296 D CB -1.068 39.923 40.800 0.319 0.000 0.547 296 D HN -0.689 7.719 8.370 0.164 0.060 0.595 297 S N -0.143 115.664 115.700 0.178 0.000 2.597 297 S HA 0.316 5.087 4.470 0.102 -0.239 0.224 297 S C 0.426 175.108 174.600 0.137 0.000 0.955 297 S CA -0.064 58.213 58.200 0.128 0.000 0.933 297 S CB 0.152 63.410 63.200 0.097 0.000 0.788 297 S HN 0.149 8.581 8.310 0.203 0.000 0.488 298 L N 4.376 125.701 121.223 0.170 0.000 2.410 298 L HA -0.017 nan 4.340 nan 0.000 0.273 298 L C -0.628 176.329 176.870 0.146 0.000 1.152 298 L CA 0.420 55.358 54.840 0.163 0.000 0.855 298 L CB -0.451 41.738 42.059 0.216 0.000 1.129 298 L HN -0.438 7.850 8.230 0.205 0.064 0.463 299 N N 4.075 122.839 118.700 0.107 0.000 2.317 299 N HA 0.116 4.875 4.740 0.032 0.000 0.245 299 N C -0.434 175.104 175.510 0.046 0.000 1.294 299 N CA -1.400 51.669 53.050 0.033 0.000 0.924 299 N CB -0.711 37.752 38.487 -0.040 0.000 1.186 299 N HN -0.052 8.408 8.380 0.133 0.000 0.495 300 P HA -0.253 4.210 4.420 0.072 0.000 0.216 300 P C 0.712 178.047 177.300 0.059 0.000 1.153 300 P CA 3.273 66.400 63.100 0.045 0.000 0.848 300 P CB -0.100 31.613 31.700 0.022 0.000 0.787 301 A N -2.978 119.836 122.820 -0.011 0.000 1.902 301 A HA -0.322 4.017 4.320 0.032 0.000 0.217 301 A C 1.840 179.472 177.584 0.080 0.000 1.181 301 A CA 2.761 54.791 52.037 -0.012 0.000 0.623 301 A CB -0.760 18.173 19.000 -0.113 0.000 0.818 301 A HN 0.115 8.233 8.150 -0.053 0.000 0.443 302 H N -1.389 117.714 119.070 0.055 0.000 2.357 302 H HA -0.328 nan 4.556 nan 0.000 0.301 302 H C 2.240 177.678 175.328 0.182 0.000 1.082 302 H CA 2.454 58.536 56.048 0.057 0.000 1.342 302 H CB 0.242 29.859 29.762 -0.241 0.000 1.389 302 H HN -0.227 8.303 8.280 -0.111 -0.317 0.511 303 A N -1.045 121.966 122.820 0.317 0.000 1.908 303 A HA -0.413 4.226 4.320 0.531 0.000 0.218 303 A C 1.410 179.225 177.584 0.384 0.000 1.181 303 A CA 3.584 55.885 52.037 0.439 0.000 0.627 303 A CB -0.699 18.546 19.000 0.408 0.000 0.818 303 A HN 0.348 8.652 8.150 0.257 0.000 0.445 304 R N -1.684 118.966 120.500 0.250 0.000 2.073 304 R HA -0.333 4.121 4.340 0.191 0.000 0.234 304 R C 1.976 178.384 176.300 0.180 0.000 1.134 304 R CA 3.444 59.659 56.100 0.193 0.000 0.952 304 R CB -0.024 30.358 30.300 0.137 0.000 0.850 304 R HN -0.488 7.913 8.270 0.218 0.000 0.433 305 I N -0.995 119.693 120.570 0.197 0.000 2.163 305 I HA -0.318 3.942 4.170 0.150 0.000 0.243 305 I C 2.292 178.377 176.117 -0.052 0.000 1.085 305 I CA 2.648 64.030 61.300 0.138 0.000 1.347 305 I CB -1.149 36.984 38.000 0.223 0.000 1.044 305 I HN -0.663 7.688 8.210 0.236 0.000 0.408 306 L N -0.355 120.833 121.223 -0.060 0.000 2.083 306 L HA -0.255 3.696 4.340 -0.647 0.000 0.209 306 L C 1.931 178.710 176.870 -0.152 0.000 1.083 306 L CA 3.238 57.863 54.840 -0.357 0.000 0.752 306 L CB -0.455 41.287 42.059 -0.529 0.000 0.899 306 L HN -0.488 7.815 8.230 0.122 0.000 0.433 307 L N -0.595 120.757 121.223 0.215 0.000 2.056 307 L HA -0.381 4.192 4.340 0.387 0.000 0.207 307 L C 1.612 178.545 176.870 0.104 0.000 1.078 307 L CA 3.112 58.119 54.840 0.278 0.000 0.749 307 L CB -0.376 41.857 42.059 0.290 0.000 0.901 307 L HN -0.154 8.253 8.230 0.294 0.000 0.433 308 M N -1.524 118.112 119.600 0.060 0.000 2.080 308 M HA -0.530 3.991 4.480 0.068 0.000 0.260 308 M C 2.469 178.754 176.300 -0.024 0.000 1.068 308 M CA 4.440 59.767 55.300 0.045 0.000 1.109 308 M CB -0.116 32.535 32.600 0.085 0.000 1.342 308 M HN -0.405 7.931 8.290 0.078 0.000 0.405 309 L N -2.526 118.575 121.223 -0.204 0.000 2.056 309 L HA -0.320 3.886 4.340 -0.223 0.000 0.207 309 L C 2.580 179.292 176.870 -0.262 0.000 1.078 309 L CA 2.509 57.113 54.840 -0.394 0.000 0.749 309 L CB -0.459 41.024 42.059 -0.960 0.000 0.901 309 L HN -0.588 7.496 8.230 -0.242 0.000 0.433 310 A N 0.109 122.805 122.820 -0.206 0.000 1.917 310 A HA -0.319 4.248 4.320 0.412 0.000 0.219 310 A C 2.055 179.781 177.584 0.236 0.000 1.182 310 A CA 2.965 55.129 52.037 0.212 0.000 0.633 310 A CB -0.675 18.551 19.000 0.377 0.000 0.819 310 A HN 0.207 8.179 8.150 -0.296 0.000 0.448 311 L N -4.098 117.207 121.223 0.137 0.000 2.465 311 L HA -0.023 4.617 4.340 0.134 -0.220 0.224 311 L C 2.163 179.096 176.870 0.105 0.000 1.145 311 L CA 1.596 56.508 54.840 0.120 0.000 0.834 311 L CB -0.406 41.710 42.059 0.095 0.000 0.944 311 L HN -0.224 8.048 8.230 0.099 0.017 0.451 312 T N -2.793 111.822 114.554 0.101 0.000 3.035 312 T HA -0.184 4.215 4.350 0.082 0.000 0.268 312 T C 1.137 175.902 174.700 0.107 0.000 1.109 312 T CA 2.287 64.444 62.100 0.094 0.000 1.119 312 T CB 0.341 69.258 68.868 0.082 0.000 0.900 312 T HN -0.448 7.696 8.240 0.089 0.150 0.503 313 R N -1.397 119.194 120.500 0.151 0.000 2.287 313 R HA 0.227 nan 4.340 nan 0.000 0.197 313 R C -0.061 176.324 176.300 0.141 0.000 0.900 313 R CA 0.566 56.754 56.100 0.147 0.000 1.052 313 R CB 2.267 32.684 30.300 0.195 0.000 1.117 313 R HN -0.325 7.892 8.270 0.184 0.163 0.568 314 T N -1.800 112.848 114.554 0.158 0.000 2.830 314 T HA 0.190 4.593 4.350 0.088 0.000 0.322 314 T C -1.705 173.057 174.700 0.104 0.000 1.501 314 T CA -1.162 61.008 62.100 0.117 0.000 1.036 314 T CB 1.153 70.091 68.868 0.115 0.000 1.379 314 T HN -0.488 7.858 8.240 0.177 0.000 0.493 315 S N 1.920 117.661 115.700 0.068 0.000 2.730 315 S HA 0.272 4.785 4.470 0.071 0.000 0.244 315 S C -0.439 174.182 174.600 0.036 0.000 1.022 315 S CA -0.672 57.562 58.200 0.057 0.000 1.014 315 S CB 0.446 63.675 63.200 0.048 0.000 0.963 315 S HN 0.408 8.752 8.310 0.057 0.000 0.540 316 D N 5.084 125.499 120.400 0.025 0.000 2.346 316 D HA 0.306 4.948 4.640 0.005 0.000 0.260 316 D C -0.893 175.402 176.300 -0.009 0.000 1.252 316 D CA -1.729 52.272 54.000 0.002 0.000 0.895 316 D CB 1.755 42.548 40.800 -0.010 0.000 1.097 316 D HN -0.564 7.763 8.370 0.032 0.061 0.489 317 P HA -0.240 4.173 4.420 -0.011 0.000 0.218 317 P C 1.226 178.513 177.300 -0.022 0.000 1.148 317 P CA 1.871 64.963 63.100 -0.014 0.000 0.822 317 P CB 0.354 32.046 31.700 -0.014 0.000 0.784 318 K N -2.493 117.893 120.400 -0.023 0.000 2.057 318 K HA -0.281 4.037 4.320 -0.003 0.000 0.207 318 K C 2.404 178.969 176.600 -0.058 0.000 1.049 318 K CA 3.581 59.855 56.287 -0.020 0.000 0.931 318 K CB -0.421 32.072 32.500 -0.013 0.000 0.714 318 K HN -0.397 8.040 8.250 -0.020 -0.198 0.440 319 V N 0.162 120.007 119.914 -0.114 0.000 2.307 319 V HA -0.368 3.596 4.120 -0.260 0.000 0.245 319 V C 2.016 177.856 176.094 -0.423 0.000 1.045 319 V CA 3.498 65.633 62.300 -0.275 0.000 1.024 319 V CB -0.520 31.142 31.823 -0.268 0.000 0.651 319 V HN -0.798 7.490 8.190 -0.086 -0.150 0.449 320 I N -0.746 119.713 120.570 -0.185 0.000 2.226 320 I HA -0.619 3.615 4.170 0.107 0.000 0.245 320 I C 1.871 178.089 176.117 0.169 0.000 1.100 320 I CA 4.347 65.678 61.300 0.052 0.000 1.374 320 I CB -0.564 37.516 38.000 0.133 0.000 1.057 320 I HN -0.421 7.721 8.210 -0.114 0.000 0.413 321 Q N -0.296 119.530 119.800 0.043 0.000 2.084 321 Q HA -0.388 3.950 4.340 -0.003 0.000 0.202 321 Q C 1.981 178.043 176.000 0.103 0.000 0.978 321 Q CA 2.994 58.819 55.803 0.037 0.000 0.844 321 Q CB -0.568 28.181 28.738 0.019 0.000 0.898 321 Q HN -0.049 8.219 8.270 -0.003 0.000 0.426 322 E N -0.073 120.193 120.200 0.111 0.000 2.110 322 E HA -0.266 4.256 4.350 0.287 0.000 0.193 322 E C 2.587 179.382 176.600 0.325 0.000 0.988 322 E CA 2.231 58.746 56.400 0.192 0.000 0.804 322 E CB -0.589 29.166 29.700 0.093 0.000 0.745 322 E HN -0.683 7.697 8.360 0.034 0.000 0.458 323 Y N -0.702 119.786 120.300 0.314 0.000 2.165 323 Y HA -0.307 4.577 4.550 0.557 0.000 0.286 323 Y C 2.538 178.631 175.900 0.322 0.000 1.155 323 Y CA 1.152 59.502 58.100 0.416 0.000 1.164 323 Y CB -0.711 37.966 38.460 0.362 0.000 0.978 323 Y HN -0.456 7.913 8.280 0.148 0.000 0.513 324 F N -4.909 115.202 119.950 0.268 0.000 2.365 324 F HA -0.362 4.287 4.527 0.204 0.000 0.300 324 F C 0.923 176.761 175.800 0.062 0.000 1.090 324 F CA 3.633 61.699 58.000 0.110 0.000 1.408 324 F CB -0.248 38.725 39.000 -0.046 0.000 1.060 324 F HN -0.630 8.049 8.300 0.631 0.000 0.534 325 H N -6.409 112.859 119.070 0.330 0.000 2.548 325 H HA 0.307 5.195 4.556 0.208 -0.207 0.265 325 H C 0.757 176.181 175.328 0.160 0.000 0.969 325 H CA 0.873 57.050 56.048 0.215 0.000 1.155 325 H CB 0.618 30.480 29.762 0.165 0.000 1.394 325 H HN -0.681 7.609 8.280 0.241 0.135 0.570 326 T N -3.873 110.842 114.554 0.268 0.000 2.958 326 T HA 0.070 4.462 4.350 0.070 0.000 0.256 326 T C -0.760 173.886 174.700 -0.090 0.000 0.983 326 T CA 0.641 62.788 62.100 0.079 0.000 0.924 326 T CB 1.554 70.438 68.868 0.028 0.000 1.136 326 T HN -0.550 7.717 8.240 0.328 0.170 0.506 327 Y N 0.000 120.379 120.300 0.132 0.000 2.660 327 Y HA 0.000 4.622 4.550 0.120 0.000 0.201 327 Y CA 0.000 58.170 58.100 0.117 0.000 1.940 327 Y CB 0.000 38.509 38.460 0.082 0.000 1.050 327 Y HN 0.000 8.479 8.280 0.332 0.000 0.758