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 1h6d_1_C DATA FIRST_RESID 52 DATA SEQUENCE AATLPAGASQ VPTTPAGRPM PYAIRPMPED RRFGYAIVGL GKYALNQILP DATA SEQUENCE GFAGCQHSRI EALVSGNAEK AKIVAAEYGV DPRKIYDYSN FDKIAKDPKI DATA SEQUENCE DAVYIILPNS LHAEFAIRAF KAGKHVMCEK PMATSVADCQ RMIDAAKAAN DATA SEQUENCE KKLMIGYRCH YDPMNRAAVK LIRENQLGKL GMVTTDNSDV MDQNDPAQQW DATA SEQUENCE RLRRELAGGG SLMDIGIYGL NGTRYLLGEE PIEVRAYTYS DPNDERFVEV DATA SEQUENCE EDRIIWQMRF RSGALSHGAS SYSTTTTSRF SVQGDKAVLL MDPATGYYQN DATA SEQUENCE LISVQTPGHA NQSMMPQFIM PANNQFSAQL DHLAEAVINN KPVRSPGEEG DATA SEQUENCE MQDVRLIQAI YEAARTGRPV NTDWGYVRQG GY 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 52 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 52 A C 0.000 177.583 177.584 -0.001 0.000 1.274 52 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 52 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 53 A N 0.574 123.393 122.820 -0.001 0.000 2.616 53 A HA 0.454 4.773 4.320 -0.002 0.000 0.234 53 A C 0.665 178.248 177.584 -0.002 0.000 1.024 53 A CA 1.757 53.793 52.037 -0.002 0.000 0.758 53 A CB -0.010 18.989 19.000 -0.002 0.000 0.939 53 A HN 1.642 9.792 8.150 -0.000 0.000 0.510 54 T N 2.206 116.758 114.554 -0.003 0.000 2.903 54 T HA 0.535 4.884 4.350 -0.002 0.000 0.299 54 T C -0.208 174.489 174.700 -0.004 0.000 1.093 54 T CA -0.680 61.419 62.100 -0.003 0.000 1.002 54 T CB 0.422 69.288 68.868 -0.002 0.000 1.127 54 T HN 0.569 8.809 8.240 -0.000 0.000 0.488 55 L N 4.696 125.916 121.223 -0.005 0.000 2.461 55 L HA 0.338 4.677 4.340 -0.002 0.000 0.272 55 L C -1.348 175.518 176.870 -0.006 0.000 1.197 55 L CA -1.488 53.348 54.840 -0.007 0.000 0.836 55 L CB 0.360 42.414 42.059 -0.008 0.000 1.105 55 L HN 0.578 8.808 8.230 -0.000 0.000 0.477 56 P HA 0.069 4.489 4.420 -0.000 0.000 0.274 56 P C 0.111 177.408 177.300 -0.006 0.000 1.237 56 P CA -0.353 62.743 63.100 -0.006 0.000 0.793 56 P CB 1.001 32.697 31.700 -0.007 0.000 0.977 57 A N 2.921 125.740 122.820 -0.003 0.000 1.884 57 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 57 A C 2.360 179.941 177.584 -0.005 0.000 1.197 57 A CA 2.559 54.595 52.037 -0.002 0.000 0.637 57 A CB -1.959 17.042 19.000 0.001 0.000 0.827 57 A HN 0.681 8.831 8.150 -0.000 0.000 0.450 58 G N -0.749 108.047 108.800 -0.006 0.000 2.491 58 G HA2 -0.094 3.864 3.960 -0.002 0.000 0.218 58 G HA3 -0.094 3.864 3.960 -0.002 0.000 0.218 58 G C 1.799 176.689 174.900 -0.016 0.000 1.180 58 G CA 1.980 47.073 45.100 -0.011 0.000 0.774 58 G HN 0.968 9.258 8.290 -0.000 0.000 0.562 59 A N 1.091 123.900 122.820 -0.018 0.000 1.877 59 A HA -0.021 4.297 4.320 -0.002 0.000 0.216 59 A C 2.766 180.341 177.584 -0.015 0.000 1.186 59 A CA 2.723 54.748 52.037 -0.020 0.000 0.620 59 A CB -0.855 18.132 19.000 -0.021 0.000 0.822 59 A HN 0.878 9.028 8.150 -0.000 0.000 0.443 60 S N -0.545 115.148 115.700 -0.011 0.000 2.419 60 S HA -0.208 4.260 4.470 -0.002 0.000 0.233 60 S C 1.682 176.277 174.600 -0.007 0.000 1.016 60 S CA 1.447 59.642 58.200 -0.008 0.000 0.974 60 S CB -0.454 62.742 63.200 -0.006 0.000 0.786 60 S HN 0.677 8.987 8.310 -0.000 0.000 0.492 61 Q N 0.662 120.458 119.800 -0.007 0.000 2.403 61 Q HA 0.248 4.587 4.340 -0.002 0.000 0.203 61 Q C -0.383 175.613 176.000 -0.006 0.000 0.932 61 Q CA -0.086 55.714 55.803 -0.005 0.000 0.945 61 Q CB 0.264 29.000 28.738 -0.003 0.000 1.045 61 Q HN 0.409 8.679 8.270 -0.000 0.000 0.511 62 V N 3.429 123.338 119.914 -0.010 0.000 2.521 62 V HA 0.076 4.195 4.120 -0.002 0.000 0.286 62 V C -1.902 174.187 176.094 -0.008 0.000 1.034 62 V CA -1.206 61.087 62.300 -0.011 0.000 1.045 62 V CB 0.176 31.990 31.823 -0.016 0.000 0.974 62 V HN 0.144 8.334 8.190 -0.000 0.000 0.480 63 P HA 0.173 4.593 4.420 -0.000 0.000 0.272 63 P C 0.888 178.184 177.300 -0.006 0.000 1.223 63 P CA -0.199 62.897 63.100 -0.005 0.000 0.784 63 P CB 0.482 32.180 31.700 -0.004 0.000 0.923 64 T N -3.224 111.327 114.554 -0.005 0.000 3.065 64 T HA 0.064 4.413 4.350 -0.002 0.000 0.252 64 T C 0.733 175.431 174.700 -0.005 0.000 1.099 64 T CA 0.258 62.355 62.100 -0.006 0.000 1.063 64 T CB -0.677 68.188 68.868 -0.005 0.000 0.948 64 T HN 0.538 8.778 8.240 -0.000 0.000 0.506 65 T N 0.579 115.130 114.554 -0.004 0.000 2.952 65 T HA 0.600 4.949 4.350 -0.002 0.000 0.286 65 T C -2.931 171.767 174.700 -0.003 0.000 1.024 65 T CA -2.080 60.018 62.100 -0.003 0.000 1.029 65 T CB 1.072 69.939 68.868 -0.002 0.000 1.094 65 T HN -0.038 8.202 8.240 -0.000 0.000 0.515 66 P HA 0.427 4.847 4.420 -0.000 0.000 0.263 66 P C -1.006 176.293 177.300 -0.001 0.000 1.195 66 P CA -0.135 62.964 63.100 -0.002 0.000 0.762 66 P CB 0.141 31.840 31.700 -0.001 0.000 0.799 67 A N 2.965 125.784 122.820 -0.001 0.000 2.594 67 A HA 0.685 5.004 4.320 -0.002 0.000 0.295 67 A C 0.082 177.667 177.584 0.001 0.000 1.071 67 A CA -0.434 51.604 52.037 0.000 0.000 0.685 67 A CB 1.290 20.290 19.000 -0.000 0.000 1.285 67 A HN 0.550 8.700 8.150 -0.000 0.000 0.405 68 G N 0.823 109.625 108.800 0.003 0.000 2.491 68 G HA2 0.494 4.453 3.960 -0.002 0.000 0.238 68 G HA3 0.494 4.453 3.960 -0.002 0.000 0.238 68 G C -0.145 174.758 174.900 0.005 0.000 1.277 68 G CA -0.193 44.910 45.100 0.005 0.000 0.851 68 G HN 0.650 8.940 8.290 -0.000 0.000 0.573 69 R N 0.703 121.207 120.500 0.006 0.000 2.888 69 R HA 0.494 4.833 4.340 -0.002 0.000 0.264 69 R C -1.827 174.482 176.300 0.014 0.000 1.045 69 R CA -1.328 54.776 56.100 0.007 0.000 0.962 69 R CB 0.861 31.162 30.300 0.001 0.000 1.210 69 R HN 0.585 8.855 8.270 -0.000 0.000 0.479 70 P HA 0.222 4.642 4.420 -0.000 0.000 0.275 70 P C -0.282 177.040 177.300 0.037 0.000 1.270 70 P CA -0.465 62.653 63.100 0.029 0.000 0.791 70 P CB 0.465 32.188 31.700 0.037 0.000 1.089 71 M N 1.161 120.790 119.600 0.047 0.000 2.239 71 M HA 0.178 4.657 4.480 -0.002 0.000 0.348 71 M C -1.603 174.746 176.300 0.082 0.000 1.239 71 M CA -1.295 54.037 55.300 0.054 0.000 1.114 71 M CB -0.586 32.045 32.600 0.051 0.000 1.641 71 M HN 0.349 8.639 8.290 -0.000 0.000 0.453 72 P HA 0.221 4.641 4.420 -0.000 0.000 0.278 72 P C -0.949 176.480 177.300 0.214 0.000 1.266 72 P CA -0.467 62.703 63.100 0.118 0.000 0.807 72 P CB 0.491 32.233 31.700 0.070 0.000 1.094 73 Y N -0.059 120.246 120.300 0.008 0.000 2.597 73 Y HA 0.236 4.785 4.550 -0.002 0.000 0.336 73 Y C 1.119 177.028 175.900 0.014 0.000 1.216 73 Y CA -0.476 57.630 58.100 0.010 0.000 1.463 73 Y CB -0.230 38.235 38.460 0.007 0.000 1.303 73 Y HN 0.375 8.655 8.280 -0.000 0.000 0.576 74 A N 5.034 127.914 122.820 0.101 0.000 2.274 74 A HA 0.540 4.859 4.320 -0.002 0.000 0.309 74 A C 0.510 178.133 177.584 0.065 0.000 1.226 74 A CA -0.581 51.496 52.037 0.066 0.000 0.853 74 A CB -0.386 18.630 19.000 0.027 0.000 1.146 74 A HN 0.844 8.994 8.150 -0.000 0.000 0.518 75 I N -0.251 120.366 120.570 0.078 0.000 4.154 75 I HA 0.437 4.605 4.170 -0.002 0.000 0.334 75 I C 0.270 176.429 176.117 0.070 0.000 1.371 75 I CA -0.553 60.794 61.300 0.080 0.000 1.110 75 I CB -0.066 37.994 38.000 0.100 0.000 1.085 75 I HN 0.574 8.784 8.210 -0.000 0.000 0.398 76 R N -0.346 120.190 120.500 0.059 0.000 2.710 76 R HA 0.695 5.034 4.340 -0.002 0.000 0.270 76 R C -3.305 173.019 176.300 0.041 0.000 1.021 76 R CA -1.782 54.350 56.100 0.053 0.000 0.889 76 R CB -0.829 29.506 30.300 0.058 0.000 1.243 76 R HN -0.266 8.004 8.270 -0.000 0.000 0.464 77 P HA 0.087 4.507 4.420 -0.000 0.000 0.262 77 P C -0.939 176.372 177.300 0.018 0.000 1.199 77 P CA -0.079 63.036 63.100 0.024 0.000 0.763 77 P CB 0.416 32.131 31.700 0.025 0.000 0.790 78 M N 6.897 126.503 119.600 0.010 0.000 2.314 78 M HA 0.375 4.854 4.480 -0.002 0.000 0.342 78 M C -2.250 174.042 176.300 -0.014 0.000 1.171 78 M CA -2.559 52.746 55.300 0.008 0.000 1.098 78 M CB 0.774 33.382 32.600 0.013 0.000 1.559 78 M HN 0.179 8.469 8.290 -0.000 0.000 0.459 79 P HA 0.102 4.522 4.420 -0.000 0.000 0.271 79 P C -1.123 176.156 177.300 -0.034 0.000 1.218 79 P CA 0.219 63.305 63.100 -0.023 0.000 0.780 79 P CB 0.904 32.608 31.700 0.008 0.000 0.901 80 E N 1.204 121.358 120.200 -0.076 0.000 2.756 80 E HA 0.077 4.426 4.350 -0.002 0.000 0.192 80 E C -0.270 176.331 176.600 0.001 0.000 1.022 80 E CA 0.174 56.546 56.400 -0.047 0.000 1.224 80 E CB 0.254 29.899 29.700 -0.092 0.000 1.252 80 E HN 0.643 9.003 8.360 -0.000 0.000 0.494 81 D N -1.455 118.943 120.400 -0.003 0.000 2.664 81 D HA 0.334 4.973 4.640 -0.002 0.000 0.292 81 D C -0.383 175.979 176.300 0.103 0.000 1.214 81 D CA -0.819 53.228 54.000 0.079 0.000 0.932 81 D CB 1.098 41.984 40.800 0.143 0.000 1.420 81 D HN -0.225 8.145 8.370 -0.000 0.000 0.471 82 R N 0.177 120.755 120.500 0.131 0.000 2.734 82 R HA 0.206 4.545 4.340 -0.002 0.000 0.395 82 R C 0.930 177.332 176.300 0.170 0.000 1.096 82 R CA -0.240 55.956 56.100 0.161 0.000 1.071 82 R CB 0.262 30.639 30.300 0.128 0.000 1.348 82 R HN 0.660 8.930 8.270 -0.000 0.000 0.600 83 R N -1.036 119.581 120.500 0.195 0.000 2.115 83 R HA 0.046 4.385 4.340 -0.002 0.000 0.226 83 R C 0.185 176.614 176.300 0.214 0.000 1.100 83 R CA 0.770 56.975 56.100 0.175 0.000 0.980 83 R CB -0.112 30.286 30.300 0.163 0.000 0.875 83 R HN -0.063 8.207 8.270 -0.000 0.000 0.445 84 F N 2.435 122.434 119.950 0.082 0.000 2.390 84 F HA 0.480 5.006 4.527 -0.002 0.000 0.361 84 F C 0.194 176.028 175.800 0.055 0.000 1.124 84 F CA -0.952 57.063 58.000 0.025 0.000 1.149 84 F CB 1.263 40.266 39.000 0.005 0.000 1.160 84 F HN 0.065 8.365 8.300 -0.000 0.000 0.501 85 G N 5.266 113.866 108.800 -0.333 0.000 2.332 85 G HA2 0.349 4.308 3.960 -0.002 0.000 0.310 85 G HA3 0.349 4.308 3.960 -0.002 0.000 0.310 85 G C -1.761 172.921 174.900 -0.363 0.000 1.123 85 G CA -0.229 44.748 45.100 -0.206 0.000 0.873 85 G HN 0.555 8.845 8.290 -0.000 0.000 0.460 86 Y N 0.411 120.662 120.300 -0.081 0.000 2.457 86 Y HA 0.573 5.122 4.550 -0.002 0.000 0.333 86 Y C 0.516 176.376 175.900 -0.067 0.000 1.119 86 Y CA -0.465 57.628 58.100 -0.012 0.000 1.143 86 Y CB 2.517 41.119 38.460 0.237 0.000 1.230 86 Y HN 0.687 8.967 8.280 -0.000 0.000 0.469 87 A N 4.091 127.000 122.820 0.150 0.000 2.285 87 A HA 0.598 4.916 4.320 -0.002 0.000 0.310 87 A C -1.191 176.474 177.584 0.135 0.000 1.266 87 A CA -0.614 51.464 52.037 0.068 0.000 0.832 87 A CB -0.062 18.929 19.000 -0.015 0.000 1.163 87 A HN 0.530 8.680 8.150 -0.000 0.000 0.499 88 I N 3.389 123.990 120.570 0.052 0.000 2.371 88 I HA 0.206 4.375 4.170 -0.002 0.000 0.290 88 I C -0.114 175.988 176.117 -0.024 0.000 1.028 88 I CA -0.303 61.007 61.300 0.016 0.000 1.345 88 I CB 0.958 38.895 38.000 -0.105 0.000 1.407 88 I HN 0.265 8.475 8.210 -0.000 0.000 0.501 89 V N 5.058 124.951 119.914 -0.034 0.000 2.328 89 V HA 0.713 4.832 4.120 -0.002 0.000 0.278 89 V C 0.558 176.573 176.094 -0.132 0.000 1.021 89 V CA -0.470 61.771 62.300 -0.097 0.000 0.838 89 V CB 0.780 32.507 31.823 -0.159 0.000 0.999 89 V HN 1.081 9.271 8.190 -0.000 0.000 0.447 90 G N 5.048 113.794 108.800 -0.089 0.000 2.860 90 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.547 90 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.547 90 G C -0.783 174.075 174.900 -0.071 0.000 1.103 90 G CA -0.982 44.083 45.100 -0.058 0.000 1.126 90 G HN 0.521 8.811 8.290 -0.000 0.000 0.490 91 L N 2.807 124.001 121.223 -0.049 0.000 2.437 91 L HA 0.482 4.820 4.340 -0.002 0.000 0.243 91 L C 1.503 178.364 176.870 -0.016 0.000 1.346 91 L CA 0.842 55.651 54.840 -0.052 0.000 1.233 91 L CB -0.254 41.778 42.059 -0.045 0.000 1.436 91 L HN 0.701 8.931 8.230 -0.000 0.000 0.416 92 G N -0.461 108.336 108.800 -0.005 0.000 2.782 92 G HA2 0.231 4.190 3.960 -0.002 0.000 0.201 92 G HA3 0.231 4.190 3.960 -0.002 0.000 0.201 92 G C 0.855 175.788 174.900 0.055 0.000 1.374 92 G CA -0.366 44.762 45.100 0.048 0.000 1.039 92 G HN 0.302 8.592 8.290 -0.000 0.000 0.576 93 K N -1.622 118.844 120.400 0.111 0.000 2.026 93 K HA -0.150 4.169 4.320 -0.002 0.000 0.208 93 K C 2.118 178.797 176.600 0.131 0.000 1.048 93 K CA 1.464 57.821 56.287 0.118 0.000 0.929 93 K CB -0.387 32.203 32.500 0.149 0.000 0.713 93 K HN 0.409 8.659 8.250 -0.000 0.000 0.439 94 Y N 0.777 121.086 120.300 0.015 0.000 2.220 94 Y HA -0.065 4.484 4.550 -0.002 0.000 0.291 94 Y C 1.948 177.762 175.900 -0.144 0.000 1.129 94 Y CA 1.008 59.080 58.100 -0.047 0.000 1.161 94 Y CB -0.580 37.885 38.460 0.008 0.000 0.997 94 Y HN 0.169 8.449 8.280 -0.000 0.000 0.522 95 A N 0.266 122.988 122.820 -0.164 0.000 1.865 95 A HA -0.164 4.155 4.320 -0.002 0.000 0.217 95 A C 2.261 179.682 177.584 -0.271 0.000 1.191 95 A CA 2.047 53.904 52.037 -0.301 0.000 0.623 95 A CB -1.130 17.744 19.000 -0.211 0.000 0.826 95 A HN 0.493 8.643 8.150 -0.000 0.000 0.444 96 L N -0.709 120.423 121.223 -0.150 0.000 2.313 96 L HA -0.053 4.286 4.340 -0.002 0.000 0.214 96 L C 2.073 178.891 176.870 -0.087 0.000 1.119 96 L CA 0.670 55.455 54.840 -0.092 0.000 0.809 96 L CB -0.516 41.532 42.059 -0.018 0.000 0.933 96 L HN 0.407 8.637 8.230 -0.000 0.000 0.449 97 N N -0.751 117.875 118.700 -0.125 0.000 2.305 97 N HA -0.062 4.677 4.740 -0.002 0.000 0.179 97 N C 1.699 177.033 175.510 -0.293 0.000 1.019 97 N CA 0.885 53.862 53.050 -0.122 0.000 0.869 97 N CB 0.322 38.789 38.487 -0.034 0.000 1.000 97 N HN 0.356 8.736 8.380 -0.000 0.000 0.431 98 Q N -0.066 119.405 119.800 -0.549 0.000 2.581 98 Q HA 0.224 4.562 4.340 -0.002 0.000 0.222 98 Q C 2.127 177.602 176.000 -0.874 0.000 0.904 98 Q CA 0.083 55.312 55.803 -0.957 0.000 0.923 98 Q CB 0.050 27.911 28.738 -1.461 0.000 1.117 98 Q HN 0.158 8.428 8.270 -0.000 0.000 0.618 99 I N 1.616 121.695 120.570 -0.819 0.000 2.133 99 I HA -0.174 3.995 4.170 -0.002 0.000 0.238 99 I C 2.554 178.555 176.117 -0.193 0.000 1.074 99 I CA 1.151 62.149 61.300 -0.503 0.000 1.342 99 I CB -1.301 36.372 38.000 -0.545 0.000 1.053 99 I HN 0.110 8.320 8.210 -0.000 0.000 0.404 100 L N 0.537 121.623 121.223 -0.229 0.000 2.012 100 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 100 L C -0.125 176.712 176.870 -0.056 0.000 1.073 100 L CA 1.834 56.511 54.840 -0.273 0.000 0.748 100 L CB -2.198 39.409 42.059 -0.754 0.000 0.891 100 L HN 0.178 8.408 8.230 -0.000 0.000 0.431 101 P HA -0.106 4.314 4.420 -0.000 0.000 0.222 101 P C 1.427 178.762 177.300 0.058 0.000 1.147 101 P CA 1.412 64.575 63.100 0.105 0.000 0.790 101 P CB -0.133 31.576 31.700 0.015 0.000 0.780 102 G N -1.999 106.773 108.800 -0.046 0.000 2.598 102 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.215 102 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.215 102 G C 1.054 175.926 174.900 -0.047 0.000 1.131 102 G CA -0.011 45.059 45.100 -0.051 0.000 0.785 102 G HN 0.178 8.468 8.290 -0.000 0.000 0.539 103 F N 1.598 121.534 119.950 -0.023 0.000 2.293 103 F HA 0.099 4.625 4.527 -0.002 0.000 0.300 103 F C 2.880 178.710 175.800 0.051 0.000 1.086 103 F CA 0.719 58.725 58.000 0.010 0.000 1.375 103 F CB 0.035 39.028 39.000 -0.012 0.000 1.045 103 F HN 0.223 8.523 8.300 -0.000 0.000 0.516 104 A N 0.107 123.061 122.820 0.224 0.000 1.917 104 A HA -0.162 4.157 4.320 -0.002 0.000 0.219 104 A C 2.441 180.087 177.584 0.103 0.000 1.182 104 A CA 1.867 53.998 52.037 0.157 0.000 0.633 104 A CB -1.552 17.526 19.000 0.130 0.000 0.819 104 A HN 0.377 8.527 8.150 -0.000 0.000 0.448 105 G N -1.755 107.093 108.800 0.079 0.000 2.920 105 G HA2 0.194 4.153 3.960 -0.002 0.000 0.208 105 G HA3 0.194 4.153 3.960 -0.002 0.000 0.208 105 G C 0.446 175.362 174.900 0.026 0.000 1.159 105 G CA 0.403 45.536 45.100 0.054 0.000 0.784 105 G HN 0.479 8.769 8.290 -0.000 0.000 0.535 106 C N 0.077 119.392 119.300 0.025 0.000 2.657 106 C HA 0.252 4.711 4.460 -0.002 0.000 0.404 106 C C 1.606 176.578 174.990 -0.030 0.000 1.291 106 C CA -0.113 58.904 59.018 -0.001 0.000 2.218 106 C CB 1.099 28.854 27.740 0.024 0.000 2.687 106 C HN 0.567 8.797 8.230 -0.000 0.000 0.634 107 Q N -0.587 119.134 119.800 -0.131 0.000 2.317 107 Q HA 0.094 4.433 4.340 -0.002 0.000 0.220 107 Q C 0.204 175.836 176.000 -0.612 0.000 0.873 107 Q CA 0.819 56.401 55.803 -0.368 0.000 0.936 107 Q CB 0.386 28.831 28.738 -0.488 0.000 1.105 107 Q HN 0.897 9.167 8.270 -0.000 0.000 0.520 108 H N -1.868 117.254 119.070 0.087 0.000 3.566 108 H HA 0.293 4.848 4.556 -0.002 0.000 0.259 108 H C -0.645 174.809 175.328 0.211 0.000 1.184 108 H CA -0.229 55.885 56.048 0.110 0.000 1.107 108 H CB 1.161 30.951 29.762 0.046 0.000 1.726 108 H HN -0.106 8.174 8.280 -0.000 0.000 0.743 109 S N 1.373 117.271 115.700 0.331 0.000 2.536 109 S HA 0.698 5.167 4.470 -0.002 0.000 0.298 109 S C -0.350 174.579 174.600 0.547 0.000 1.083 109 S CA -1.088 57.418 58.200 0.510 0.000 0.995 109 S CB 2.390 65.934 63.200 0.574 0.000 1.058 109 S HN 0.494 8.804 8.310 -0.000 0.000 0.488 110 R N 0.387 121.228 120.500 0.568 0.000 2.799 110 R HA 0.664 5.003 4.340 -0.002 0.000 0.270 110 R C -1.665 174.658 176.300 0.039 0.000 1.010 110 R CA -0.950 55.341 56.100 0.318 0.000 0.916 110 R CB 0.757 31.156 30.300 0.165 0.000 1.228 110 R HN 0.528 8.798 8.270 -0.000 0.000 0.469 111 I N 1.897 122.250 120.570 -0.362 0.000 2.325 111 I HA 0.125 4.293 4.170 -0.002 0.000 0.291 111 I C 0.651 176.664 176.117 -0.174 0.000 1.019 111 I CA -0.105 60.898 61.300 -0.494 0.000 1.302 111 I CB 1.654 39.250 38.000 -0.674 0.000 1.401 111 I HN 0.859 9.069 8.210 -0.000 0.000 0.485 112 E N 5.173 125.316 120.200 -0.096 0.000 2.244 112 E HA 0.333 4.682 4.350 -0.002 0.000 0.196 112 E C 0.024 176.611 176.600 -0.023 0.000 0.939 112 E CA 0.344 56.716 56.400 -0.047 0.000 0.884 112 E CB 0.641 30.313 29.700 -0.046 0.000 0.850 112 E HN 0.715 9.075 8.360 -0.000 0.000 0.481 113 A N -0.338 122.467 122.820 -0.026 0.000 2.593 113 A HA 0.695 5.014 4.320 -0.002 0.000 0.290 113 A C -1.685 175.900 177.584 0.002 0.000 1.126 113 A CA -0.772 51.282 52.037 0.028 0.000 0.695 113 A CB 0.969 20.020 19.000 0.085 0.000 1.290 113 A HN 0.094 8.244 8.150 -0.000 0.000 0.414 114 L N 0.161 121.413 121.223 0.047 0.000 2.370 114 L HA 0.727 5.066 4.340 -0.002 0.000 0.266 114 L C -1.176 175.727 176.870 0.054 0.000 1.002 114 L CA -1.093 53.752 54.840 0.008 0.000 0.818 114 L CB 2.211 44.257 42.059 -0.022 0.000 1.325 114 L HN 0.417 8.647 8.230 -0.000 0.000 0.418 115 V N 1.289 121.195 119.914 -0.012 0.000 2.443 115 V HA 0.610 4.729 4.120 -0.002 0.000 0.293 115 V C -0.392 175.548 176.094 -0.257 0.000 1.021 115 V CA -0.254 62.009 62.300 -0.062 0.000 0.848 115 V CB 1.620 33.444 31.823 0.003 0.000 0.998 115 V HN 0.809 8.999 8.190 -0.000 0.000 0.424 116 S N 2.934 118.412 115.700 -0.371 0.000 2.579 116 S HA 0.691 5.160 4.470 -0.002 0.000 0.272 116 S C 0.779 175.062 174.600 -0.528 0.000 1.141 116 S CA 0.251 58.203 58.200 -0.414 0.000 0.843 116 S CB 2.078 65.183 63.200 -0.159 0.000 1.122 116 S HN 0.887 9.197 8.310 -0.000 0.000 0.468 117 G N 1.682 110.292 108.800 -0.318 0.000 2.986 117 G HA2 0.113 4.072 3.960 -0.002 0.000 0.213 117 G HA3 0.113 4.072 3.960 -0.002 0.000 0.213 117 G C 0.282 175.182 174.900 -0.000 0.000 1.156 117 G CA -0.155 44.907 45.100 -0.063 0.000 0.763 117 G HN 0.582 8.872 8.290 -0.000 0.000 0.547 118 N N 1.103 119.792 118.700 -0.019 0.000 2.817 118 N HA 0.400 5.139 4.740 -0.002 0.000 0.234 118 N C 1.422 176.919 175.510 -0.022 0.000 1.066 118 N CA 0.163 53.212 53.050 -0.003 0.000 0.926 118 N CB 1.176 39.669 38.487 0.011 0.000 1.176 118 N HN -0.001 8.379 8.380 -0.000 0.000 0.506 119 A N 3.183 125.989 122.820 -0.023 0.000 1.927 119 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 119 A C 1.766 179.339 177.584 -0.018 0.000 1.185 119 A CA 1.580 53.601 52.037 -0.026 0.000 0.639 119 A CB -0.255 18.732 19.000 -0.022 0.000 0.820 119 A HN 0.764 8.914 8.150 -0.000 0.000 0.451 120 E N -0.639 119.555 120.200 -0.010 0.000 2.106 120 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 120 E C 2.085 178.682 176.600 -0.004 0.000 0.984 120 E CA 1.284 57.681 56.400 -0.006 0.000 0.806 120 E CB -0.175 29.523 29.700 -0.002 0.000 0.750 120 E HN 0.752 9.112 8.360 -0.000 0.000 0.458 121 K N 1.262 121.661 120.400 -0.002 0.000 2.062 121 K HA -0.067 4.252 4.320 -0.002 0.000 0.205 121 K C 2.203 178.802 176.600 -0.001 0.000 1.051 121 K CA 1.044 57.332 56.287 0.002 0.000 0.941 121 K CB -0.085 32.418 32.500 0.004 0.000 0.719 121 K HN 0.070 8.320 8.250 -0.000 0.000 0.440 122 A N 2.370 125.183 122.820 -0.013 0.000 1.933 122 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 122 A C 1.961 179.542 177.584 -0.005 0.000 1.175 122 A CA 1.995 54.023 52.037 -0.016 0.000 0.628 122 A CB -0.542 18.438 19.000 -0.034 0.000 0.814 122 A HN 0.590 8.740 8.150 -0.000 0.000 0.444 123 K N -0.438 119.958 120.400 -0.007 0.000 2.155 123 K HA 0.055 4.374 4.320 -0.002 0.000 0.203 123 K C 1.715 178.317 176.600 0.003 0.000 1.052 123 K CA 1.382 57.667 56.287 -0.004 0.000 0.948 123 K CB -0.386 32.108 32.500 -0.010 0.000 0.728 123 K HN 0.426 8.676 8.250 -0.000 0.000 0.448 124 I N 1.549 122.122 120.570 0.005 0.000 2.202 124 I HA -0.226 3.943 4.170 -0.002 0.000 0.242 124 I C 2.246 178.377 176.117 0.024 0.000 1.091 124 I CA 0.879 62.184 61.300 0.007 0.000 1.368 124 I CB -0.123 37.881 38.000 0.007 0.000 1.058 124 I HN -0.021 8.189 8.210 -0.000 0.000 0.410 125 V N 1.104 121.045 119.914 0.045 0.000 2.358 125 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 125 V C 2.730 178.907 176.094 0.138 0.000 1.047 125 V CA 1.822 64.186 62.300 0.108 0.000 1.035 125 V CB -1.098 30.774 31.823 0.081 0.000 0.658 125 V HN 0.475 8.665 8.190 -0.000 0.000 0.452 126 A N 0.387 123.248 122.820 0.067 0.000 1.892 126 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 126 A C 2.444 180.060 177.584 0.052 0.000 1.188 126 A CA 2.423 54.495 52.037 0.057 0.000 0.631 126 A CB -0.926 18.087 19.000 0.021 0.000 0.822 126 A HN 0.596 8.746 8.150 -0.000 0.000 0.447 127 A N -0.463 122.369 122.820 0.020 0.000 1.972 127 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 127 A C 1.868 179.427 177.584 -0.042 0.000 1.169 127 A CA 1.647 53.679 52.037 -0.008 0.000 0.635 127 A CB -0.518 18.473 19.000 -0.017 0.000 0.810 127 A HN 0.664 8.814 8.150 -0.000 0.000 0.446 128 E N -1.972 118.192 120.200 -0.060 0.000 2.268 128 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 128 E C 0.329 176.663 176.600 -0.444 0.000 0.995 128 E CA 0.996 57.256 56.400 -0.233 0.000 0.836 128 E CB -0.116 29.434 29.700 -0.251 0.000 0.763 128 E HN 0.836 9.196 8.360 -0.000 0.000 0.491 129 Y N -0.750 119.526 120.300 -0.040 0.000 2.660 129 Y HA 0.288 4.836 4.550 -0.002 0.000 0.254 129 Y C 1.143 177.015 175.900 -0.046 0.000 1.176 129 Y CA 0.012 58.083 58.100 -0.049 0.000 1.195 129 Y CB 1.238 39.651 38.460 -0.079 0.000 1.190 129 Y HN 0.013 8.293 8.280 -0.000 0.000 0.535 130 G N 0.864 109.687 108.800 0.038 0.000 2.258 130 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.274 130 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.274 130 G C -0.147 174.771 174.900 0.030 0.000 1.021 130 G CA 0.396 45.510 45.100 0.023 0.000 0.798 130 G HN 0.155 8.445 8.290 -0.000 0.000 0.507 131 V N 0.921 120.859 119.914 0.039 0.000 2.461 131 V HA 0.276 4.395 4.120 -0.002 0.000 0.275 131 V C 0.824 176.925 176.094 0.012 0.000 1.047 131 V CA -0.601 61.712 62.300 0.021 0.000 0.955 131 V CB 1.560 33.393 31.823 0.017 0.000 0.988 131 V HN 0.466 8.656 8.190 -0.000 0.000 0.471 132 D N 7.389 127.793 120.400 0.008 0.000 2.520 132 D HA 0.013 4.652 4.640 -0.002 0.000 0.243 132 D C -1.442 174.856 176.300 -0.004 0.000 1.160 132 D CA -1.348 52.653 54.000 0.001 0.000 0.877 132 D CB 1.558 42.359 40.800 0.001 0.000 1.150 132 D HN 0.243 8.613 8.370 -0.000 0.000 0.494 133 P HA -0.155 4.264 4.420 -0.000 0.000 0.217 133 P C 0.925 178.200 177.300 -0.042 0.000 1.148 133 P CA 1.380 64.467 63.100 -0.022 0.000 0.834 133 P CB 0.143 31.829 31.700 -0.023 0.000 0.783 134 R N -0.626 119.845 120.500 -0.047 0.000 2.189 134 R HA 0.012 4.351 4.340 -0.002 0.000 0.218 134 R C 1.086 177.320 176.300 -0.110 0.000 1.074 134 R CA 0.719 56.770 56.100 -0.083 0.000 0.991 134 R CB -0.293 29.968 30.300 -0.066 0.000 0.883 134 R HN 0.096 8.366 8.270 -0.000 0.000 0.457 135 K N 1.150 121.532 120.400 -0.030 0.000 2.627 135 K HA 0.198 4.516 4.320 -0.002 0.000 0.212 135 K C -0.165 176.516 176.600 0.134 0.000 1.041 135 K CA 0.244 56.573 56.287 0.071 0.000 1.205 135 K CB 0.122 32.678 32.500 0.095 0.000 0.936 135 K HN 0.221 8.471 8.250 -0.000 0.000 0.489 136 I N 1.497 122.068 120.570 0.001 0.000 2.354 136 I HA 0.207 4.376 4.170 -0.002 0.000 0.286 136 I C -0.481 175.636 176.117 -0.000 0.000 1.007 136 I CA -0.958 60.372 61.300 0.051 0.000 1.167 136 I CB 0.482 38.475 38.000 -0.012 0.000 1.320 136 I HN -0.065 8.145 8.210 -0.000 0.000 0.458 137 Y N 3.907 124.190 120.300 -0.029 0.000 2.519 137 Y HA 0.459 5.008 4.550 -0.002 0.000 0.324 137 Y C 0.248 176.098 175.900 -0.083 0.000 1.214 137 Y CA -1.007 57.086 58.100 -0.012 0.000 1.260 137 Y CB 0.911 39.411 38.460 0.067 0.000 1.311 137 Y HN 0.572 8.852 8.280 -0.000 0.000 0.505 138 D N -1.982 118.476 120.400 0.098 0.000 2.553 138 D HA 0.176 4.815 4.640 -0.002 0.000 0.249 138 D C -0.274 176.010 176.300 -0.026 0.000 1.062 138 D CA -0.718 53.209 54.000 -0.121 0.000 1.085 138 D CB 0.119 40.881 40.800 -0.064 0.000 1.350 138 D HN 0.388 8.758 8.370 -0.000 0.000 0.575 139 Y N -0.457 119.945 120.300 0.171 0.000 2.574 139 Y HA 0.028 4.576 4.550 -0.002 0.000 0.294 139 Y C 2.299 178.363 175.900 0.272 0.000 1.142 139 Y CA 0.717 58.971 58.100 0.258 0.000 1.314 139 Y CB -0.314 38.273 38.460 0.211 0.000 0.991 139 Y HN 0.233 8.513 8.280 -0.000 0.000 0.555 140 S N 0.030 115.909 115.700 0.298 0.000 2.387 140 S HA -0.083 4.386 4.470 -0.002 0.000 0.221 140 S C 1.477 176.204 174.600 0.213 0.000 1.041 140 S CA 0.949 59.279 58.200 0.217 0.000 0.959 140 S CB -0.272 63.014 63.200 0.142 0.000 0.843 140 S HN 0.681 8.991 8.310 -0.000 0.000 0.488 141 N N 1.269 120.101 118.700 0.220 0.000 2.314 141 N HA 0.095 4.833 4.740 -0.002 0.000 0.200 141 N C 0.906 176.632 175.510 0.360 0.000 1.135 141 N CA -0.160 53.021 53.050 0.218 0.000 0.835 141 N CB -0.701 37.867 38.487 0.135 0.000 0.989 141 N HN 0.267 8.647 8.380 -0.000 0.000 0.478 142 F N 1.888 121.973 119.950 0.225 0.000 2.147 142 F HA -0.213 4.313 4.527 -0.002 0.000 0.301 142 F C 1.191 177.031 175.800 0.066 0.000 1.084 142 F CA 1.584 59.689 58.000 0.175 0.000 1.268 142 F CB -0.203 38.956 39.000 0.264 0.000 1.009 142 F HN 0.051 8.351 8.300 -0.000 0.000 0.486 143 D N 0.268 120.617 120.400 -0.085 0.000 2.309 143 D HA -0.137 4.502 4.640 -0.002 0.000 0.212 143 D C 1.795 178.000 176.300 -0.158 0.000 0.968 143 D CA 0.647 54.512 54.000 -0.225 0.000 0.882 143 D CB -0.251 40.516 40.800 -0.056 0.000 0.918 143 D HN 0.348 8.718 8.370 -0.000 0.000 0.503 144 K N 1.218 121.623 120.400 0.009 0.000 2.515 144 K HA -0.033 4.286 4.320 -0.002 0.000 0.196 144 K C 2.151 178.811 176.600 0.099 0.000 1.038 144 K CA 0.059 56.414 56.287 0.113 0.000 0.967 144 K CB -0.270 32.373 32.500 0.239 0.000 0.780 144 K HN 0.467 8.717 8.250 -0.000 0.000 0.483 145 I N -2.284 118.171 120.570 -0.192 0.000 2.700 145 I HA -0.115 4.054 4.170 -0.002 0.000 0.261 145 I C 1.974 177.977 176.117 -0.190 0.000 1.219 145 I CA 1.030 62.127 61.300 -0.339 0.000 1.463 145 I CB -0.565 37.037 38.000 -0.664 0.000 1.092 145 I HN -0.120 8.090 8.210 -0.000 0.000 0.452 146 A N 1.886 124.605 122.820 -0.168 0.000 2.070 146 A HA -0.127 4.192 4.320 -0.002 0.000 0.220 146 A C 2.254 179.799 177.584 -0.065 0.000 1.159 146 A CA 1.369 53.335 52.037 -0.119 0.000 0.656 146 A CB -0.478 18.461 19.000 -0.103 0.000 0.800 146 A HN 0.549 8.699 8.150 -0.000 0.000 0.453 147 K N -0.548 119.834 120.400 -0.030 0.000 2.400 147 K HA 0.001 4.320 4.320 -0.002 0.000 0.194 147 K C -0.295 176.304 176.600 -0.002 0.000 1.033 147 K CA 0.444 56.727 56.287 -0.007 0.000 1.021 147 K CB 0.169 32.677 32.500 0.015 0.000 0.808 147 K HN 0.342 8.592 8.250 -0.000 0.000 0.505 148 D N 1.047 121.443 120.400 -0.007 0.000 2.427 148 D HA 0.085 4.724 4.640 -0.002 0.000 0.226 148 D C -1.816 174.458 176.300 -0.043 0.000 1.076 148 D CA -2.598 51.398 54.000 -0.006 0.000 0.849 148 D CB 1.495 42.313 40.800 0.031 0.000 1.052 148 D HN -0.131 8.239 8.370 -0.000 0.000 0.515 149 P HA -0.064 4.356 4.420 -0.000 0.000 0.237 149 P C 0.688 177.954 177.300 -0.057 0.000 1.178 149 P CA 0.338 63.410 63.100 -0.045 0.000 0.766 149 P CB 0.480 32.163 31.700 -0.027 0.000 0.876 150 K N -0.097 120.272 120.400 -0.052 0.000 2.366 150 K HA 0.127 4.446 4.320 -0.002 0.000 0.198 150 K C 1.111 177.646 176.600 -0.108 0.000 1.044 150 K CA 0.268 56.519 56.287 -0.060 0.000 0.973 150 K CB 0.036 32.517 32.500 -0.031 0.000 0.767 150 K HN 0.339 8.589 8.250 -0.000 0.000 0.475 151 I N 2.724 123.221 120.570 -0.122 0.000 2.281 151 I HA 0.008 4.177 4.170 -0.002 0.000 0.293 151 I C 0.628 176.603 176.117 -0.237 0.000 1.085 151 I CA -0.145 61.049 61.300 -0.177 0.000 1.257 151 I CB 0.734 38.635 38.000 -0.164 0.000 1.430 151 I HN -0.065 8.145 8.210 -0.000 0.000 0.489 152 D N 5.094 125.261 120.400 -0.388 0.000 2.213 152 D HA 0.120 4.758 4.640 -0.002 0.000 0.205 152 D C 0.734 176.812 176.300 -0.370 0.000 0.961 152 D CA 0.717 54.445 54.000 -0.452 0.000 0.853 152 D CB 0.698 40.934 40.800 -0.941 0.000 0.967 152 D HN 0.597 8.967 8.370 -0.000 0.000 0.496 153 A N -0.023 122.516 122.820 -0.468 0.000 2.581 153 A HA 0.565 4.884 4.320 -0.002 0.000 0.290 153 A C -1.077 176.454 177.584 -0.088 0.000 1.119 153 A CA -0.634 51.262 52.037 -0.236 0.000 0.670 153 A CB 1.406 20.273 19.000 -0.222 0.000 1.280 153 A HN -0.034 8.116 8.150 -0.000 0.000 0.425 154 V N -2.377 117.580 119.914 0.071 0.000 2.960 154 V HA 0.861 4.980 4.120 -0.002 0.000 0.315 154 V C -1.202 175.107 176.094 0.358 0.000 1.087 154 V CA -0.791 61.635 62.300 0.210 0.000 0.982 154 V CB 1.851 33.791 31.823 0.195 0.000 1.039 154 V HN 1.267 9.457 8.190 -0.000 0.000 0.437 155 Y N 4.062 124.487 120.300 0.207 0.000 2.363 155 Y HA 0.627 5.175 4.550 -0.002 0.000 0.325 155 Y C -0.575 175.340 175.900 0.025 0.000 0.984 155 Y CA -2.408 55.775 58.100 0.139 0.000 1.248 155 Y CB 1.297 39.823 38.460 0.110 0.000 1.116 155 Y HN 0.617 8.897 8.280 -0.000 0.000 0.470 156 I N 8.135 128.886 120.570 0.301 0.000 2.363 156 I HA 0.148 4.317 4.170 -0.002 0.000 0.292 156 I C 0.429 176.498 176.117 -0.081 0.000 1.075 156 I CA 0.122 61.431 61.300 0.015 0.000 1.333 156 I CB 0.099 38.056 38.000 -0.071 0.000 1.415 156 I HN 0.571 8.781 8.210 -0.000 0.000 0.502 157 I N 7.380 127.853 120.570 -0.163 0.000 3.158 157 I HA 0.253 4.422 4.170 -0.002 0.000 0.344 157 I C 0.158 176.210 176.117 -0.109 0.000 1.459 157 I CA 0.000 61.210 61.300 -0.150 0.000 0.956 157 I CB 0.058 37.914 38.000 -0.240 0.000 1.793 157 I HN 0.343 8.553 8.210 -0.000 0.000 0.522 158 L N 1.079 122.220 121.223 -0.136 0.000 2.376 158 L HA 0.604 4.943 4.340 -0.002 0.000 0.267 158 L C -2.254 174.477 176.870 -0.233 0.000 1.035 158 L CA -2.020 52.692 54.840 -0.213 0.000 0.800 158 L CB 0.495 42.363 42.059 -0.319 0.000 1.290 158 L HN -0.090 8.140 8.230 -0.000 0.000 0.462 159 P HA 0.066 4.486 4.420 -0.000 0.000 0.268 159 P C -0.157 176.666 177.300 -0.794 0.000 1.208 159 P CA 0.166 62.492 63.100 -1.290 0.000 0.777 159 P CB 0.367 31.219 31.700 -1.414 0.000 0.875 160 N N 0.653 118.857 118.700 -0.826 0.000 2.069 160 N HA -0.237 4.502 4.740 -0.002 0.000 0.196 160 N C 1.576 176.676 175.510 -0.684 0.000 1.024 160 N CA 1.765 54.275 53.050 -0.900 0.000 0.869 160 N CB -0.441 37.879 38.487 -0.278 0.000 1.035 160 N HN 0.494 8.874 8.380 -0.000 0.000 0.434 161 S N 0.622 116.105 115.700 -0.362 0.000 2.500 161 S HA -0.021 4.448 4.470 -0.002 0.000 0.239 161 S C 1.512 176.026 174.600 -0.144 0.000 0.989 161 S CA 0.680 58.763 58.200 -0.195 0.000 0.951 161 S CB -0.267 62.861 63.200 -0.119 0.000 0.759 161 S HN 0.289 8.599 8.310 -0.000 0.000 0.523 162 L N -0.172 120.948 121.223 -0.172 0.000 2.693 162 L HA 0.325 4.664 4.340 -0.002 0.000 0.235 162 L C 2.067 179.034 176.870 0.161 0.000 1.127 162 L CA -0.055 54.779 54.840 -0.009 0.000 0.914 162 L CB -0.466 41.531 42.059 -0.103 0.000 1.193 162 L HN 0.369 8.599 8.230 -0.000 0.000 0.502 163 H N 0.689 119.749 119.070 -0.018 0.000 2.253 163 H HA -0.166 4.389 4.556 -0.002 0.000 0.296 163 H C 2.391 177.771 175.328 0.088 0.000 1.074 163 H CA 1.081 57.145 56.048 0.027 0.000 1.263 163 H CB 0.244 30.014 29.762 0.014 0.000 1.363 163 H HN 0.415 8.695 8.280 -0.000 0.000 0.489 164 A N 1.253 124.200 122.820 0.212 0.000 1.869 164 A HA -0.327 3.992 4.320 -0.002 0.000 0.218 164 A C 2.213 179.875 177.584 0.131 0.000 1.203 164 A CA 2.168 54.297 52.037 0.153 0.000 0.638 164 A CB -0.882 18.177 19.000 0.098 0.000 0.831 164 A HN 0.628 8.778 8.150 -0.000 0.000 0.450 165 E N -1.215 119.042 120.200 0.095 0.000 2.068 165 E HA -0.259 4.090 4.350 -0.002 0.000 0.207 165 E C 1.704 178.261 176.600 -0.073 0.000 1.032 165 E CA 2.026 58.422 56.400 -0.007 0.000 0.839 165 E CB -0.344 29.329 29.700 -0.045 0.000 0.758 165 E HN 0.598 8.958 8.360 -0.000 0.000 0.457 166 F N 0.271 120.213 119.950 -0.014 0.000 2.325 166 F HA 0.072 4.597 4.527 -0.002 0.000 0.299 166 F C 2.325 178.169 175.800 0.073 0.000 1.090 166 F CA 0.818 58.797 58.000 -0.034 0.000 1.392 166 F CB -0.397 38.437 39.000 -0.277 0.000 1.053 166 F HN 0.157 8.457 8.300 -0.000 0.000 0.521 167 A N 0.452 123.387 122.820 0.191 0.000 1.898 167 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 167 A C 2.234 179.873 177.584 0.091 0.000 1.181 167 A CA 1.494 53.571 52.037 0.067 0.000 0.620 167 A CB -0.989 18.088 19.000 0.129 0.000 0.819 167 A HN 0.359 8.509 8.150 -0.000 0.000 0.442 168 I N -0.962 119.732 120.570 0.207 0.000 2.286 168 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 168 I C 2.732 178.955 176.117 0.177 0.000 1.115 168 I CA 1.263 62.714 61.300 0.253 0.000 1.392 168 I CB -0.326 37.766 38.000 0.153 0.000 1.065 168 I HN 0.287 8.497 8.210 -0.000 0.000 0.418 169 R N 0.675 121.251 120.500 0.127 0.000 2.115 169 R HA -0.065 4.274 4.340 -0.002 0.000 0.230 169 R C 2.451 178.811 176.300 0.099 0.000 1.111 169 R CA 1.271 57.444 56.100 0.121 0.000 0.976 169 R CB -0.345 30.054 30.300 0.164 0.000 0.870 169 R HN 0.348 8.618 8.270 -0.000 0.000 0.445 170 A N 0.685 123.591 122.820 0.144 0.000 1.898 170 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 170 A C 1.778 179.297 177.584 -0.108 0.000 1.181 170 A CA 1.075 53.086 52.037 -0.045 0.000 0.620 170 A CB -0.509 18.474 19.000 -0.029 0.000 0.819 170 A HN 0.160 8.310 8.150 -0.000 0.000 0.442 171 F N 0.412 120.381 119.950 0.032 0.000 2.171 171 F HA -0.096 4.430 4.527 -0.002 0.000 0.300 171 F C 2.228 178.005 175.800 -0.037 0.000 1.090 171 F CA 1.617 59.612 58.000 -0.009 0.000 1.293 171 F CB -0.321 38.687 39.000 0.013 0.000 1.013 171 F HN 0.147 8.447 8.300 -0.000 0.000 0.486 172 K N -0.354 120.137 120.400 0.151 0.000 2.283 172 K HA -0.013 4.306 4.320 -0.002 0.000 0.202 172 K C 1.919 178.516 176.600 -0.004 0.000 1.048 172 K CA 0.912 57.234 56.287 0.059 0.000 0.948 172 K CB -0.288 32.235 32.500 0.038 0.000 0.742 172 K HN 0.195 8.445 8.250 -0.000 0.000 0.458 173 A N 0.497 123.287 122.820 -0.050 0.000 2.238 173 A HA 0.188 4.507 4.320 -0.002 0.000 0.208 173 A C 1.176 178.700 177.584 -0.101 0.000 1.177 173 A CA 0.640 52.604 52.037 -0.121 0.000 0.804 173 A CB -0.284 18.565 19.000 -0.252 0.000 0.823 173 A HN 0.361 8.511 8.150 -0.000 0.000 0.482 174 G N -0.220 108.550 108.800 -0.049 0.000 2.198 174 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.257 174 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.257 174 G C -0.136 174.693 174.900 -0.119 0.000 1.042 174 G CA 0.497 45.562 45.100 -0.059 0.000 0.791 174 G HN 0.410 8.700 8.290 -0.000 0.000 0.502 175 K N -0.258 120.066 120.400 -0.127 0.000 2.267 175 K HA 0.567 4.886 4.320 -0.002 0.000 0.246 175 K C 0.181 176.671 176.600 -0.183 0.000 0.954 175 K CA -0.969 55.207 56.287 -0.185 0.000 0.824 175 K CB 1.149 33.541 32.500 -0.181 0.000 1.167 175 K HN 0.415 8.665 8.250 -0.000 0.000 0.431 176 H N -0.695 118.371 119.070 -0.007 0.000 2.603 176 H HA 0.329 4.884 4.556 -0.002 0.000 0.370 176 H C -0.295 174.992 175.328 -0.067 0.000 1.225 176 H CA -0.209 55.887 56.048 0.080 0.000 1.410 176 H CB 0.894 30.753 29.762 0.162 0.000 1.495 176 H HN 0.029 8.309 8.280 -0.000 0.000 0.602 177 V N 2.598 122.561 119.914 0.082 0.000 2.525 177 V HA 0.153 4.272 4.120 -0.002 0.000 0.299 177 V C -0.609 175.536 176.094 0.085 0.000 1.034 177 V CA -0.740 61.529 62.300 -0.052 0.000 0.863 177 V CB 1.484 33.044 31.823 -0.437 0.000 0.999 177 V HN 0.618 8.808 8.190 -0.000 0.000 0.423 178 M N 5.867 125.513 119.600 0.077 0.000 2.088 178 M HA 0.618 5.096 4.480 -0.002 0.000 0.346 178 M C -0.889 175.400 176.300 -0.018 0.000 1.111 178 M CA 0.211 55.479 55.300 -0.054 0.000 1.017 178 M CB 0.872 33.289 32.600 -0.305 0.000 1.568 178 M HN 0.770 9.060 8.290 -0.000 0.000 0.445 179 C N 5.312 124.609 119.300 -0.004 0.000 2.441 179 C HA 0.605 5.064 4.460 -0.002 0.000 0.318 179 C C -0.054 174.915 174.990 -0.036 0.000 1.222 179 C CA -0.625 58.389 59.018 -0.006 0.000 1.474 179 C CB 1.190 28.912 27.740 -0.029 0.000 2.125 179 C HN 0.888 9.118 8.230 -0.000 0.000 0.479 180 E N 2.677 122.835 120.200 -0.070 0.000 2.409 180 E HA 0.224 4.573 4.350 -0.002 0.000 0.257 180 E C -0.226 176.320 176.600 -0.092 0.000 1.150 180 E CA 0.198 56.579 56.400 -0.031 0.000 0.942 180 E CB 0.779 30.488 29.700 0.016 0.000 0.979 180 E HN 0.720 9.080 8.360 -0.000 0.000 0.447 181 K N 1.320 121.654 120.400 -0.110 0.000 2.098 181 K HA 0.454 4.773 4.320 -0.002 0.000 0.261 181 K C -2.440 174.209 176.600 0.082 0.000 0.987 181 K CA -1.971 54.236 56.287 -0.134 0.000 0.916 181 K CB -0.435 31.776 32.500 -0.483 0.000 1.039 181 K HN 0.105 8.355 8.250 -0.000 0.000 0.455 182 P HA 0.003 4.423 4.420 -0.000 0.000 0.275 182 P C 0.463 177.850 177.300 0.146 0.000 1.228 182 P CA -0.458 62.673 63.100 0.051 0.000 0.786 182 P CB 0.932 32.659 31.700 0.044 0.000 0.927 183 M N 1.982 121.647 119.600 0.109 0.000 2.110 183 M HA -0.188 4.291 4.480 -0.002 0.000 0.257 183 M C 0.551 176.995 176.300 0.240 0.000 1.071 183 M CA 2.540 57.944 55.300 0.173 0.000 1.096 183 M CB -0.288 32.385 32.600 0.122 0.000 1.300 183 M HN 0.582 8.872 8.290 -0.000 0.000 0.411 184 A N -1.952 120.928 122.820 0.100 0.000 2.529 184 A HA 0.482 4.801 4.320 -0.002 0.000 0.296 184 A C 0.287 177.862 177.584 -0.016 0.000 1.205 184 A CA -0.015 52.036 52.037 0.024 0.000 0.671 184 A CB 0.313 19.344 19.000 0.053 0.000 1.301 184 A HN 0.388 8.538 8.150 -0.000 0.000 0.450 185 T N -1.556 112.981 114.554 -0.029 0.000 3.186 185 T HA 0.495 4.843 4.350 -0.002 0.000 0.257 185 T C 0.223 174.928 174.700 0.008 0.000 1.029 185 T CA 0.647 62.743 62.100 -0.007 0.000 0.916 185 T CB -0.993 67.865 68.868 -0.017 0.000 1.041 185 T HN 1.937 10.177 8.240 -0.000 0.000 0.562 186 S N -0.805 114.897 115.700 0.003 0.000 2.535 186 S HA 0.469 4.937 4.470 -0.002 0.000 0.272 186 S C 0.574 175.166 174.600 -0.013 0.000 1.149 186 S CA -0.609 57.590 58.200 -0.002 0.000 0.888 186 S CB 1.431 64.628 63.200 -0.004 0.000 1.110 186 S HN -0.103 8.207 8.310 -0.000 0.000 0.463 187 V N 2.205 122.098 119.914 -0.035 0.000 2.343 187 V HA -0.130 3.989 4.120 -0.002 0.000 0.247 187 V C 3.064 179.131 176.094 -0.046 0.000 1.051 187 V CA 2.571 64.834 62.300 -0.062 0.000 1.036 187 V CB -1.608 30.147 31.823 -0.114 0.000 0.654 187 V HN 1.067 9.257 8.190 -0.000 0.000 0.451 188 A N -0.050 122.749 122.820 -0.036 0.000 1.908 188 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 188 A C 2.002 179.582 177.584 -0.006 0.000 1.181 188 A CA 2.215 54.237 52.037 -0.025 0.000 0.627 188 A CB -0.676 18.312 19.000 -0.020 0.000 0.818 188 A HN 0.533 8.683 8.150 -0.000 0.000 0.445 189 D N -0.734 119.668 120.400 0.003 0.000 2.178 189 D HA -0.097 4.542 4.640 -0.002 0.000 0.202 189 D C 1.984 178.308 176.300 0.040 0.000 0.974 189 D CA 1.090 55.104 54.000 0.023 0.000 0.841 189 D CB -0.538 40.277 40.800 0.025 0.000 0.953 189 D HN 0.456 8.826 8.370 -0.000 0.000 0.478 190 C N 0.251 119.569 119.300 0.029 0.000 2.432 190 C HA -0.132 4.327 4.460 -0.002 0.000 0.277 190 C C 2.685 177.698 174.990 0.040 0.000 1.249 190 C CA 0.571 59.615 59.018 0.044 0.000 1.725 190 C CB -0.771 26.982 27.740 0.022 0.000 2.028 190 C HN 0.321 8.551 8.230 -0.000 0.000 0.477 191 Q N 0.880 120.687 119.800 0.012 0.000 2.124 191 Q HA -0.117 4.222 4.340 -0.002 0.000 0.202 191 Q C 2.305 178.312 176.000 0.012 0.000 0.977 191 Q CA 1.645 57.450 55.803 0.005 0.000 0.850 191 Q CB -0.333 28.396 28.738 -0.015 0.000 0.901 191 Q HN 0.567 8.837 8.270 -0.000 0.000 0.429 192 R N -0.793 119.720 120.500 0.021 0.000 2.096 192 R HA -0.083 4.256 4.340 -0.002 0.000 0.235 192 R C 2.360 178.691 176.300 0.051 0.000 1.127 192 R CA 1.707 57.824 56.100 0.028 0.000 0.968 192 R CB -0.319 30.001 30.300 0.033 0.000 0.861 192 R HN 0.390 8.660 8.270 -0.000 0.000 0.440 193 M N 0.160 119.814 119.600 0.090 0.000 2.132 193 M HA -0.131 4.348 4.480 -0.002 0.000 0.263 193 M C 2.266 178.614 176.300 0.080 0.000 1.065 193 M CA 1.624 57.026 55.300 0.169 0.000 1.122 193 M CB -0.262 32.465 32.600 0.212 0.000 1.365 193 M HN 0.100 8.390 8.290 -0.000 0.000 0.411 194 I N 0.288 120.880 120.570 0.037 0.000 2.179 194 I HA -0.301 3.868 4.170 -0.002 0.000 0.242 194 I C 1.876 177.930 176.117 -0.106 0.000 1.088 194 I CA 1.173 62.458 61.300 -0.024 0.000 1.357 194 I CB -0.606 37.402 38.000 0.012 0.000 1.051 194 I HN 0.255 8.465 8.210 -0.000 0.000 0.409 195 D N 1.198 121.557 120.400 -0.069 0.000 2.104 195 D HA -0.178 4.461 4.640 -0.002 0.000 0.194 195 D C 2.240 178.454 176.300 -0.144 0.000 0.994 195 D CA 1.693 55.643 54.000 -0.082 0.000 0.830 195 D CB -0.239 40.536 40.800 -0.041 0.000 0.959 195 D HN 0.355 8.725 8.370 -0.000 0.000 0.452 196 A N 0.812 123.540 122.820 -0.154 0.000 1.972 196 A HA -0.011 4.308 4.320 -0.002 0.000 0.219 196 A C 2.283 179.483 177.584 -0.641 0.000 1.169 196 A CA 2.068 53.980 52.037 -0.209 0.000 0.635 196 A CB -0.606 18.406 19.000 0.021 0.000 0.810 196 A HN 0.237 8.387 8.150 -0.000 0.000 0.446 197 A N 0.097 122.304 122.820 -1.022 0.000 1.877 197 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 197 A C 2.104 179.355 177.584 -0.554 0.000 1.186 197 A CA 1.790 52.987 52.037 -1.401 0.000 0.620 197 A CB -0.447 18.050 19.000 -0.838 0.000 0.822 197 A HN 0.526 8.676 8.150 -0.000 0.000 0.443 198 K N -0.258 119.952 120.400 -0.317 0.000 2.147 198 K HA -0.024 4.295 4.320 -0.002 0.000 0.205 198 K C 2.235 178.751 176.600 -0.139 0.000 1.049 198 K CA 1.012 57.200 56.287 -0.165 0.000 0.936 198 K CB -0.296 32.141 32.500 -0.106 0.000 0.722 198 K HN 0.448 8.698 8.250 -0.000 0.000 0.446 199 A N 1.355 124.080 122.820 -0.158 0.000 1.898 199 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 199 A C 2.215 179.749 177.584 -0.083 0.000 1.181 199 A CA 1.772 53.749 52.037 -0.100 0.000 0.620 199 A CB -0.426 18.524 19.000 -0.082 0.000 0.819 199 A HN 0.312 8.462 8.150 -0.000 0.000 0.442 200 A N -1.496 121.256 122.820 -0.113 0.000 2.275 200 A HA 0.289 4.608 4.320 -0.002 0.000 0.212 200 A C 0.858 178.414 177.584 -0.048 0.000 1.201 200 A CA 0.707 52.715 52.037 -0.049 0.000 0.843 200 A CB -0.553 18.465 19.000 0.030 0.000 0.873 200 A HN 0.702 8.852 8.150 -0.000 0.000 0.492 201 N N -0.667 117.989 118.700 -0.073 0.000 2.725 201 N HA -0.136 4.603 4.740 -0.002 0.000 0.251 201 N C -0.824 174.689 175.510 0.004 0.000 1.031 201 N CA 0.909 53.939 53.050 -0.034 0.000 0.720 201 N CB -0.788 37.691 38.487 -0.014 0.000 0.930 201 N HN 0.379 8.759 8.380 -0.000 0.000 0.543 202 K N 0.537 120.942 120.400 0.008 0.000 2.395 202 K HA 0.434 4.753 4.320 -0.002 0.000 0.247 202 K C 0.072 176.849 176.600 0.295 0.000 0.973 202 K CA -0.660 55.706 56.287 0.131 0.000 0.828 202 K CB 1.175 33.762 32.500 0.144 0.000 1.272 202 K HN 0.142 8.392 8.250 -0.000 0.000 0.439 203 K N 1.032 121.770 120.400 0.564 0.000 2.144 203 K HA 0.392 4.711 4.320 -0.002 0.000 0.270 203 K C -0.283 176.596 176.600 0.465 0.000 1.005 203 K CA -0.516 56.003 56.287 0.386 0.000 0.932 203 K CB 0.891 33.543 32.500 0.253 0.000 1.021 203 K HN 0.313 8.563 8.250 -0.000 0.000 0.462 204 L N 4.285 125.723 121.223 0.357 0.000 2.319 204 L HA 0.449 4.787 4.340 -0.002 0.000 0.281 204 L C -1.216 175.808 176.870 0.256 0.000 1.005 204 L CA -0.530 54.549 54.840 0.400 0.000 0.828 204 L CB 1.209 43.498 42.059 0.384 0.000 1.227 204 L HN 0.698 8.928 8.230 -0.000 0.000 0.415 205 M N 5.393 125.120 119.600 0.212 0.000 2.326 205 M HA 0.494 4.973 4.480 -0.002 0.000 0.306 205 M C -1.374 175.003 176.300 0.128 0.000 1.054 205 M CA -0.731 54.678 55.300 0.181 0.000 0.922 205 M CB 1.891 34.585 32.600 0.155 0.000 1.632 205 M HN 0.346 8.636 8.290 -0.000 0.000 0.436 206 I N 3.231 123.898 120.570 0.161 0.000 2.428 206 I HA 0.289 4.458 4.170 -0.002 0.000 0.296 206 I C 1.191 177.300 176.117 -0.013 0.000 0.985 206 I CA -0.426 60.903 61.300 0.049 0.000 1.260 206 I CB 1.062 39.098 38.000 0.060 0.000 1.389 206 I HN 0.924 9.134 8.210 -0.000 0.000 0.484 207 G N 6.016 114.751 108.800 -0.109 0.000 3.090 207 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.259 207 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.259 207 G C -0.281 174.566 174.900 -0.088 0.000 0.797 207 G CA -0.051 45.037 45.100 -0.021 0.000 2.032 207 G HN 0.462 8.752 8.290 -0.000 0.000 0.614 208 Y N 1.053 121.368 120.300 0.024 0.000 2.724 208 Y HA 0.142 4.691 4.550 -0.002 0.000 0.332 208 Y C 2.138 178.027 175.900 -0.018 0.000 1.276 208 Y CA -1.090 56.904 58.100 -0.176 0.000 1.597 208 Y CB 0.247 38.250 38.460 -0.762 0.000 1.584 208 Y HN 0.580 8.860 8.280 -0.000 0.000 0.478 209 R N -1.363 119.292 120.500 0.259 0.000 2.133 209 R HA -0.210 4.129 4.340 -0.002 0.000 0.247 209 R C 1.393 177.804 176.300 0.185 0.000 1.151 209 R CA 2.041 58.289 56.100 0.248 0.000 0.971 209 R CB -1.320 29.061 30.300 0.135 0.000 0.866 209 R HN 0.494 8.764 8.270 -0.000 0.000 0.447 210 C N 0.835 120.253 119.300 0.196 0.000 2.422 210 C HA -0.015 4.444 4.460 -0.002 0.000 0.286 210 C C 1.817 176.807 174.990 0.001 0.000 1.412 210 C CA 0.462 59.580 59.018 0.166 0.000 1.786 210 C CB -1.535 26.442 27.740 0.395 0.000 1.835 210 C HN 0.557 8.787 8.230 -0.000 0.000 0.533 211 H N -2.433 116.460 119.070 -0.295 0.000 2.547 211 H HA -0.001 4.554 4.556 -0.002 0.000 0.266 211 H C 0.315 174.967 175.328 -1.126 0.000 0.988 211 H CA 0.647 56.224 56.048 -0.785 0.000 1.147 211 H CB 0.182 29.399 29.762 -0.908 0.000 1.365 211 H HN 0.599 8.879 8.280 -0.000 0.000 0.589 212 Y N -0.531 119.758 120.300 -0.018 0.000 2.768 212 Y HA 0.142 4.691 4.550 -0.002 0.000 0.249 212 Y C -0.401 175.460 175.900 -0.065 0.000 1.146 212 Y CA -0.862 57.199 58.100 -0.064 0.000 1.171 212 Y CB 0.425 38.840 38.460 -0.075 0.000 1.249 212 Y HN 0.030 8.310 8.280 -0.000 0.000 0.567 213 D N 0.915 121.318 120.400 0.005 0.000 2.232 213 D HA 0.276 4.915 4.640 -0.002 0.000 0.242 213 D C -1.941 174.355 176.300 -0.007 0.000 1.093 213 D CA -2.188 51.807 54.000 -0.008 0.000 0.845 213 D CB 1.919 42.712 40.800 -0.012 0.000 1.124 213 D HN -0.133 8.237 8.370 -0.000 0.000 0.467 214 P HA -0.224 4.196 4.420 -0.000 0.000 0.215 214 P C 1.469 178.776 177.300 0.012 0.000 1.163 214 P CA 1.410 64.518 63.100 0.014 0.000 0.894 214 P CB 0.089 31.805 31.700 0.027 0.000 0.791 215 M N -1.413 118.198 119.600 0.019 0.000 2.132 215 M HA -0.116 4.363 4.480 -0.002 0.000 0.263 215 M C 1.824 178.145 176.300 0.034 0.000 1.065 215 M CA 1.518 56.833 55.300 0.025 0.000 1.122 215 M CB -1.912 30.703 32.600 0.025 0.000 1.365 215 M HN 0.036 8.326 8.290 -0.000 0.000 0.411 216 N N -0.125 118.598 118.700 0.038 0.000 2.120 216 N HA -0.134 4.605 4.740 -0.002 0.000 0.188 216 N C 1.787 177.298 175.510 0.001 0.000 1.024 216 N CA 0.967 54.057 53.050 0.067 0.000 0.852 216 N CB -0.055 38.471 38.487 0.066 0.000 1.003 216 N HN 0.299 8.679 8.380 -0.000 0.000 0.424 217 R N 1.110 121.582 120.500 -0.046 0.000 2.081 217 R HA 0.003 4.342 4.340 -0.002 0.000 0.235 217 R C 2.131 178.418 176.300 -0.022 0.000 1.131 217 R CA 0.889 56.949 56.100 -0.067 0.000 0.960 217 R CB -0.815 29.448 30.300 -0.063 0.000 0.856 217 R HN 0.207 8.477 8.270 -0.000 0.000 0.436 218 A N 1.106 123.926 122.820 -0.000 0.000 1.933 218 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 218 A C 2.368 179.964 177.584 0.019 0.000 1.175 218 A CA 1.798 53.841 52.037 0.010 0.000 0.628 218 A CB -0.474 18.535 19.000 0.016 0.000 0.814 218 A HN 0.355 8.505 8.150 -0.000 0.000 0.444 219 A N -0.703 122.139 122.820 0.037 0.000 1.898 219 A HA 0.038 4.357 4.320 -0.002 0.000 0.216 219 A C 2.210 179.823 177.584 0.049 0.000 1.181 219 A CA 1.662 53.732 52.037 0.056 0.000 0.620 219 A CB -0.820 18.242 19.000 0.103 0.000 0.819 219 A HN 0.362 8.512 8.150 -0.000 0.000 0.442 220 V N 0.178 120.120 119.914 0.047 0.000 2.427 220 V HA -0.244 3.875 4.120 -0.002 0.000 0.248 220 V C 2.528 178.626 176.094 0.006 0.000 1.051 220 V CA 2.338 64.657 62.300 0.033 0.000 1.048 220 V CB -0.581 31.246 31.823 0.006 0.000 0.666 220 V HN 0.686 8.876 8.190 -0.000 0.000 0.456 221 K N 0.463 120.862 120.400 -0.000 0.000 2.026 221 K HA -0.206 4.113 4.320 -0.002 0.000 0.208 221 K C 2.136 178.734 176.600 -0.003 0.000 1.048 221 K CA 1.971 58.255 56.287 -0.004 0.000 0.929 221 K CB -0.239 32.258 32.500 -0.004 0.000 0.713 221 K HN 0.526 8.776 8.250 -0.000 0.000 0.439 222 L N -0.732 120.492 121.223 0.001 0.000 2.201 222 L HA -0.016 4.323 4.340 -0.002 0.000 0.212 222 L C 1.910 178.775 176.870 -0.008 0.000 1.105 222 L CA 1.417 56.255 54.840 -0.002 0.000 0.775 222 L CB -0.427 41.633 42.059 0.002 0.000 0.913 222 L HN 0.101 8.331 8.230 -0.000 0.000 0.440 223 I N -0.393 120.171 120.570 -0.009 0.000 2.202 223 I HA -0.153 4.016 4.170 -0.002 0.000 0.242 223 I C 2.575 178.676 176.117 -0.027 0.000 1.091 223 I CA 0.804 62.090 61.300 -0.023 0.000 1.368 223 I CB -0.350 37.631 38.000 -0.031 0.000 1.058 223 I HN 0.270 8.480 8.210 -0.000 0.000 0.410 224 R N 1.136 121.624 120.500 -0.020 0.000 2.193 224 R HA -0.127 4.212 4.340 -0.002 0.000 0.229 224 R C 1.546 177.837 176.300 -0.015 0.000 1.110 224 R CA 0.953 57.042 56.100 -0.018 0.000 0.988 224 R CB -0.649 29.645 30.300 -0.009 0.000 0.871 224 R HN 0.544 8.814 8.270 -0.000 0.000 0.458 225 E N 0.403 120.595 120.200 -0.013 0.000 2.502 225 E HA -0.009 4.340 4.350 -0.002 0.000 0.194 225 E C 0.034 176.625 176.600 -0.015 0.000 1.062 225 E CA -0.209 56.184 56.400 -0.012 0.000 0.867 225 E CB -0.233 29.461 29.700 -0.010 0.000 0.888 225 E HN 0.330 8.690 8.360 -0.000 0.000 0.510 226 N N 1.020 119.708 118.700 -0.019 0.000 2.776 226 N HA -0.264 4.474 4.740 -0.002 0.000 0.249 226 N C 0.578 176.076 175.510 -0.020 0.000 1.111 226 N CA 0.072 53.109 53.050 -0.022 0.000 0.711 226 N CB -0.496 37.979 38.487 -0.019 0.000 1.065 226 N HN 0.287 8.667 8.380 -0.000 0.000 0.556 227 Q N -0.469 119.319 119.800 -0.019 0.000 2.436 227 Q HA -0.038 4.301 4.340 -0.002 0.000 0.209 227 Q C 1.316 177.305 176.000 -0.018 0.000 0.965 227 Q CA 0.660 56.452 55.803 -0.018 0.000 0.910 227 Q CB 0.224 28.953 28.738 -0.015 0.000 0.980 227 Q HN 0.399 8.669 8.270 -0.000 0.000 0.491 228 L N -1.273 119.937 121.223 -0.021 0.000 2.556 228 L HA 0.242 4.581 4.340 -0.002 0.000 0.226 228 L C 1.032 177.887 176.870 -0.025 0.000 1.089 228 L CA 1.062 55.888 54.840 -0.023 0.000 0.864 228 L CB 0.076 42.117 42.059 -0.030 0.000 1.067 228 L HN 0.246 8.476 8.230 -0.000 0.000 0.477 229 G N 0.020 108.805 108.800 -0.026 0.000 2.584 229 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.229 229 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.229 229 G C -0.021 174.860 174.900 -0.032 0.000 1.320 229 G CA -0.168 44.917 45.100 -0.025 0.000 0.891 229 G HN 0.187 8.477 8.290 -0.000 0.000 0.573 230 K N 0.156 120.538 120.400 -0.030 0.000 2.378 230 K HA 0.380 4.699 4.320 -0.002 0.000 0.288 230 K C 0.183 176.757 176.600 -0.045 0.000 1.057 230 K CA -0.656 55.610 56.287 -0.036 0.000 0.971 230 K CB -0.026 32.457 32.500 -0.027 0.000 0.975 230 K HN 0.364 8.614 8.250 -0.000 0.000 0.475 231 L N 4.133 125.317 121.223 -0.064 0.000 2.455 231 L HA 0.149 4.488 4.340 -0.002 0.000 0.272 231 L C 1.302 178.126 176.870 -0.077 0.000 1.174 231 L CA 0.867 55.656 54.840 -0.085 0.000 0.869 231 L CB 1.188 43.169 42.059 -0.130 0.000 1.130 231 L HN 0.964 9.194 8.230 -0.000 0.000 0.474 232 G N 2.616 111.378 108.800 -0.065 0.000 2.663 232 G HA2 0.276 4.235 3.960 -0.002 0.000 0.200 232 G HA3 0.276 4.235 3.960 -0.002 0.000 0.200 232 G C -0.132 174.749 174.900 -0.032 0.000 1.114 232 G CA 0.064 45.139 45.100 -0.042 0.000 0.861 232 G HN 0.423 8.713 8.290 -0.000 0.000 0.702 233 M N 1.662 121.236 119.600 -0.044 0.000 2.255 233 M HA 0.616 5.095 4.480 -0.002 0.000 0.275 233 M C -1.986 174.274 176.300 -0.066 0.000 1.050 233 M CA -0.581 54.705 55.300 -0.022 0.000 0.978 233 M CB 2.159 34.771 32.600 0.020 0.000 1.761 233 M HN -0.176 8.114 8.290 -0.000 0.000 0.479 234 V N 3.728 123.582 119.914 -0.101 0.000 2.555 234 V HA 0.816 4.935 4.120 -0.002 0.000 0.302 234 V C -0.392 175.542 176.094 -0.267 0.000 1.038 234 V CA -0.459 61.735 62.300 -0.177 0.000 0.887 234 V CB 2.229 33.910 31.823 -0.238 0.000 0.991 234 V HN 0.876 9.066 8.190 -0.000 0.000 0.434 235 T N 2.839 117.209 114.554 -0.306 0.000 2.848 235 T HA 0.692 5.041 4.350 -0.002 0.000 0.285 235 T C -0.174 174.361 174.700 -0.275 0.000 0.995 235 T CA -0.588 61.217 62.100 -0.491 0.000 0.970 235 T CB 1.696 70.290 68.868 -0.456 0.000 0.976 235 T HN 0.916 9.156 8.240 -0.000 0.000 0.441 236 T N -0.216 114.161 114.554 -0.294 0.000 2.906 236 T HA 0.780 5.129 4.350 -0.002 0.000 0.295 236 T C -1.814 172.857 174.700 -0.049 0.000 1.061 236 T CA -0.824 61.243 62.100 -0.056 0.000 1.000 236 T CB 2.240 71.018 68.868 -0.150 0.000 1.103 236 T HN 0.387 8.627 8.240 -0.000 0.000 0.486 237 D N 1.671 122.148 120.400 0.129 0.000 2.891 237 D HA 0.344 4.983 4.640 -0.002 0.000 0.224 237 D C -1.250 175.121 176.300 0.118 0.000 1.321 237 D CA -0.505 53.530 54.000 0.058 0.000 0.929 237 D CB 1.841 42.644 40.800 0.005 0.000 1.551 237 D HN 0.564 8.934 8.370 -0.000 0.000 0.574 238 N N 1.090 119.870 118.700 0.133 0.000 2.504 238 N HA 0.420 5.159 4.740 -0.002 0.000 0.280 238 N C -1.171 174.387 175.510 0.079 0.000 1.052 238 N CA -0.397 52.723 53.050 0.116 0.000 0.887 238 N CB 2.101 40.723 38.487 0.226 0.000 1.323 238 N HN 0.148 8.528 8.380 -0.000 0.000 0.509 239 S N 0.870 116.594 115.700 0.041 0.000 2.618 239 S HA 0.625 5.094 4.470 -0.002 0.000 0.277 239 S C -1.390 173.244 174.600 0.056 0.000 1.138 239 S CA -0.705 57.527 58.200 0.053 0.000 0.844 239 S CB 2.782 66.008 63.200 0.043 0.000 1.127 239 S HN 0.597 8.907 8.310 -0.000 0.000 0.474 240 D N 0.104 120.568 120.400 0.107 0.000 2.721 240 D HA 0.210 4.849 4.640 -0.002 0.000 0.221 240 D C -1.419 174.966 176.300 0.142 0.000 1.208 240 D CA -0.370 53.687 54.000 0.096 0.000 0.755 240 D CB 1.130 41.973 40.800 0.070 0.000 1.732 240 D HN 0.283 8.653 8.370 -0.000 0.000 0.490 241 V N 3.351 123.318 119.914 0.089 0.000 2.458 241 V HA 0.103 4.222 4.120 -0.002 0.000 0.287 241 V C 0.794 176.909 176.094 0.034 0.000 1.009 241 V CA 0.176 62.526 62.300 0.083 0.000 1.091 241 V CB 0.371 32.225 31.823 0.050 0.000 0.960 241 V HN 0.646 8.836 8.190 -0.000 0.000 0.476 242 M N 5.579 125.191 119.600 0.020 0.000 2.227 242 M HA 0.256 4.735 4.480 -0.002 0.000 0.349 242 M C -0.357 175.859 176.300 -0.139 0.000 1.443 242 M CA 0.288 55.496 55.300 -0.153 0.000 1.110 242 M CB 0.344 32.768 32.600 -0.294 0.000 1.773 242 M HN 0.624 8.914 8.290 -0.000 0.000 0.463 243 D N 4.204 124.514 120.400 -0.150 0.000 2.461 243 D HA 0.139 4.777 4.640 -0.002 0.000 0.240 243 D C 0.590 176.801 176.300 -0.148 0.000 1.094 243 D CA -0.144 53.783 54.000 -0.121 0.000 0.868 243 D CB 0.995 41.750 40.800 -0.076 0.000 1.062 243 D HN 0.772 9.142 8.370 -0.000 0.000 0.530 244 Q N 2.765 122.468 119.800 -0.162 0.000 2.508 244 Q HA -0.118 4.221 4.340 -0.002 0.000 0.214 244 Q C 0.059 175.993 176.000 -0.109 0.000 0.979 244 Q CA 0.776 56.483 55.803 -0.158 0.000 0.911 244 Q CB 0.024 28.662 28.738 -0.168 0.000 0.969 244 Q HN 0.359 8.629 8.270 -0.000 0.000 0.504 245 N N 1.241 119.889 118.700 -0.086 0.000 2.422 245 N HA -0.036 4.703 4.740 -0.002 0.000 0.181 245 N C -0.305 175.177 175.510 -0.047 0.000 1.080 245 N CA 0.301 53.316 53.050 -0.057 0.000 0.893 245 N CB 0.132 38.592 38.487 -0.045 0.000 0.973 245 N HN 0.299 8.679 8.380 -0.000 0.000 0.456 246 D N 1.339 121.702 120.400 -0.061 0.000 2.325 246 D HA 0.116 4.754 4.640 -0.002 0.000 0.251 246 D C -1.654 174.619 176.300 -0.046 0.000 1.196 246 D CA -2.029 51.944 54.000 -0.046 0.000 0.866 246 D CB 1.774 42.539 40.800 -0.058 0.000 1.101 246 D HN -0.038 8.332 8.370 -0.000 0.000 0.476 247 P HA -0.155 4.265 4.420 -0.000 0.000 0.216 247 P C 0.883 178.205 177.300 0.038 0.000 1.150 247 P CA 1.573 64.685 63.100 0.020 0.000 0.843 247 P CB 0.233 31.958 31.700 0.042 0.000 0.787 248 A N -0.607 122.228 122.820 0.026 0.000 1.969 248 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 248 A C 2.079 179.507 177.584 -0.259 0.000 1.169 248 A CA 1.301 53.362 52.037 0.039 0.000 0.635 248 A CB -0.897 18.147 19.000 0.073 0.000 0.810 248 A HN 0.126 8.276 8.150 -0.000 0.000 0.445 249 Q N -0.351 119.288 119.800 -0.267 0.000 2.432 249 Q HA -0.048 4.290 4.340 -0.002 0.000 0.205 249 Q C 1.808 177.557 176.000 -0.418 0.000 0.945 249 Q CA 0.816 56.369 55.803 -0.418 0.000 0.924 249 Q CB -0.268 28.288 28.738 -0.303 0.000 1.016 249 Q HN 0.813 9.083 8.270 -0.000 0.000 0.503 250 Q N 0.039 119.687 119.800 -0.252 0.000 2.124 250 Q HA -0.128 4.211 4.340 -0.002 0.000 0.202 250 Q C 1.911 177.866 176.000 -0.075 0.000 0.977 250 Q CA 1.464 57.187 55.803 -0.135 0.000 0.850 250 Q CB -0.185 28.533 28.738 -0.033 0.000 0.901 250 Q HN 0.637 8.907 8.270 -0.000 0.000 0.429 251 W N 0.060 121.343 121.300 -0.029 0.000 2.584 251 W HA 0.074 4.733 4.660 -0.002 0.000 0.264 251 W C 1.023 177.535 176.519 -0.013 0.000 1.264 251 W CA -0.002 57.330 57.345 -0.023 0.000 1.306 251 W CB -0.342 29.105 29.460 -0.023 0.000 1.110 251 W HN 0.010 8.190 8.180 -0.000 0.000 0.606 252 R N 1.078 121.137 120.500 -0.735 0.000 2.237 252 R HA -0.001 4.338 4.340 -0.002 0.000 0.219 252 R C 2.078 178.261 176.300 -0.195 0.000 1.080 252 R CA 0.974 56.676 56.100 -0.663 0.000 0.995 252 R CB -0.224 29.555 30.300 -0.868 0.000 0.875 252 R HN 0.292 8.562 8.270 -0.000 0.000 0.462 253 L N 0.205 121.336 121.223 -0.155 0.000 2.592 253 L HA 0.112 4.451 4.340 -0.002 0.000 0.227 253 L C 0.383 177.256 176.870 0.005 0.000 1.127 253 L CA 0.091 54.890 54.840 -0.069 0.000 0.884 253 L CB 0.042 42.025 42.059 -0.127 0.000 1.065 253 L HN -0.069 8.161 8.230 -0.000 0.000 0.457 254 R N 0.816 121.346 120.500 0.050 0.000 2.229 254 R HA 0.177 4.516 4.340 -0.002 0.000 0.332 254 R C 0.940 177.297 176.300 0.095 0.000 0.989 254 R CA -0.164 55.981 56.100 0.074 0.000 0.842 254 R CB 1.377 31.738 30.300 0.101 0.000 1.119 254 R HN 0.111 8.381 8.270 -0.000 0.000 0.456 255 R N 2.369 122.904 120.500 0.057 0.000 2.091 255 R HA -0.209 4.129 4.340 -0.002 0.000 0.238 255 R C 1.546 177.876 176.300 0.050 0.000 1.136 255 R CA 2.097 58.224 56.100 0.045 0.000 0.959 255 R CB 0.116 30.420 30.300 0.007 0.000 0.856 255 R HN 0.671 8.941 8.270 -0.000 0.000 0.437 256 E N 0.017 120.242 120.200 0.041 0.000 2.153 256 E HA -0.195 4.154 4.350 -0.002 0.000 0.194 256 E C 1.790 178.410 176.600 0.033 0.000 0.988 256 E CA 1.244 57.661 56.400 0.027 0.000 0.811 256 E CB 0.045 29.755 29.700 0.017 0.000 0.746 256 E HN 0.428 8.788 8.360 -0.000 0.000 0.466 257 L N -0.578 120.694 121.223 0.080 0.000 2.298 257 L HA 0.141 4.479 4.340 -0.002 0.000 0.209 257 L C 2.326 179.304 176.870 0.179 0.000 1.084 257 L CA 0.733 55.625 54.840 0.087 0.000 0.816 257 L CB 0.028 42.185 42.059 0.164 0.000 0.967 257 L HN 0.128 8.358 8.230 -0.000 0.000 0.460 258 A N -0.815 122.183 122.820 0.297 0.000 1.943 258 A HA 0.290 4.609 4.320 -0.002 0.000 0.213 258 A C 1.956 179.658 177.584 0.198 0.000 1.181 258 A CA 1.086 53.349 52.037 0.377 0.000 0.653 258 A CB -0.358 18.820 19.000 0.297 0.000 0.833 258 A HN 0.449 8.599 8.150 -0.000 0.000 0.451 259 G N -2.600 106.271 108.800 0.119 0.000 2.253 259 G HA2 0.212 4.171 3.960 -0.002 0.000 0.251 259 G HA3 0.212 4.171 3.960 -0.002 0.000 0.251 259 G C 0.998 175.961 174.900 0.104 0.000 0.998 259 G CA 0.634 45.785 45.100 0.085 0.000 0.621 259 G HN 2.123 10.413 8.290 -0.000 0.000 0.524 260 G N -1.897 106.977 108.800 0.124 0.000 2.320 260 G HA2 0.668 4.627 3.960 -0.002 0.000 0.296 260 G HA3 0.668 4.627 3.960 -0.002 0.000 0.296 260 G C 0.383 175.374 174.900 0.151 0.000 1.306 260 G CA 0.834 45.999 45.100 0.108 0.000 0.836 260 G HN 1.437 9.727 8.290 -0.000 0.000 0.517 261 G N -0.646 108.237 108.800 0.139 0.000 2.928 261 G HA2 0.461 4.420 3.960 -0.002 0.000 0.163 261 G HA3 0.461 4.420 3.960 -0.002 0.000 0.163 261 G C 1.895 176.759 174.900 -0.059 0.000 1.573 261 G CA 1.563 46.748 45.100 0.141 0.000 1.084 261 G HN 1.752 10.042 8.290 -0.000 0.000 0.569 262 S N -0.592 114.772 115.700 -0.559 0.000 2.419 262 S HA -0.141 4.328 4.470 -0.002 0.000 0.235 262 S C 2.322 176.758 174.600 -0.272 0.000 1.019 262 S CA 1.534 59.212 58.200 -0.869 0.000 0.982 262 S CB -0.327 62.279 63.200 -0.989 0.000 0.789 262 S HN 0.355 8.665 8.310 -0.000 0.000 0.490 263 L N 0.976 122.121 121.223 -0.131 0.000 2.027 263 L HA 0.119 4.458 4.340 -0.002 0.000 0.206 263 L C 2.517 179.296 176.870 -0.151 0.000 1.074 263 L CA 1.813 56.541 54.840 -0.186 0.000 0.745 263 L CB -0.709 41.150 42.059 -0.334 0.000 0.898 263 L HN 0.244 8.474 8.230 -0.000 0.000 0.433 264 M N -0.948 118.633 119.600 -0.032 0.000 2.229 264 M HA -0.162 4.316 4.480 -0.002 0.000 0.264 264 M C 1.849 178.181 176.300 0.054 0.000 1.063 264 M CA 1.603 56.914 55.300 0.017 0.000 1.114 264 M CB -1.029 31.645 32.600 0.123 0.000 1.387 264 M HN 0.400 8.690 8.290 -0.000 0.000 0.420 265 D N 0.281 120.729 120.400 0.079 0.000 2.146 265 D HA -0.020 4.619 4.640 -0.002 0.000 0.209 265 D C 1.751 178.158 176.300 0.179 0.000 0.973 265 D CA 1.094 55.183 54.000 0.148 0.000 0.860 265 D CB 0.306 41.249 40.800 0.237 0.000 1.015 265 D HN 0.455 8.825 8.370 -0.000 0.000 0.465 266 I N -4.241 116.424 120.570 0.158 0.000 4.624 266 I HA 0.474 4.643 4.170 -0.002 0.000 0.327 266 I C 1.990 178.290 176.117 0.304 0.000 1.295 266 I CA 0.061 61.550 61.300 0.314 0.000 1.267 266 I CB 0.138 38.273 38.000 0.225 0.000 1.249 266 I HN -0.008 8.202 8.210 -0.000 0.000 0.440 267 G N 2.373 111.258 108.800 0.141 0.000 2.432 267 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.219 267 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.219 267 G C 1.599 176.551 174.900 0.087 0.000 1.135 267 G CA 0.946 46.159 45.100 0.189 0.000 0.767 267 G HN 0.499 8.789 8.290 -0.000 0.000 0.550 268 I N -0.810 119.743 120.570 -0.027 0.000 2.423 268 I HA -0.223 3.946 4.170 -0.002 0.000 0.254 268 I C 2.260 178.374 176.117 -0.005 0.000 1.151 268 I CA 1.138 62.387 61.300 -0.086 0.000 1.421 268 I CB 0.008 37.941 38.000 -0.110 0.000 1.079 268 I HN 0.249 8.459 8.210 -0.000 0.000 0.431 269 Y N 0.725 121.143 120.300 0.197 0.000 2.163 269 Y HA -0.120 4.429 4.550 -0.002 0.000 0.288 269 Y C 2.595 178.666 175.900 0.285 0.000 1.136 269 Y CA 1.720 60.000 58.100 0.300 0.000 1.147 269 Y CB -1.092 37.567 38.460 0.331 0.000 0.987 269 Y HN 0.185 8.465 8.280 -0.000 0.000 0.509 270 G N -0.338 108.723 108.800 0.435 0.000 2.402 270 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.216 270 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.216 270 G C 1.643 176.547 174.900 0.008 0.000 1.162 270 G CA 0.993 46.172 45.100 0.131 0.000 0.777 270 G HN 0.316 8.606 8.290 -0.000 0.000 0.539 271 L N 1.329 122.636 121.223 0.139 0.000 1.976 271 L HA -0.063 4.275 4.340 -0.002 0.000 0.209 271 L C 2.256 179.086 176.870 -0.067 0.000 1.071 271 L CA 2.499 57.355 54.840 0.026 0.000 0.746 271 L CB -0.912 41.042 42.059 -0.174 0.000 0.890 271 L HN 0.271 8.501 8.230 -0.000 0.000 0.432 272 N N -0.359 118.300 118.700 -0.069 0.000 2.166 272 N HA -0.159 4.580 4.740 -0.002 0.000 0.186 272 N C 1.778 177.092 175.510 -0.327 0.000 1.019 272 N CA 1.438 54.441 53.050 -0.079 0.000 0.856 272 N CB -0.229 38.252 38.487 -0.011 0.000 0.993 272 N HN 0.564 8.944 8.380 -0.000 0.000 0.426 273 G N -0.284 108.210 108.800 -0.509 0.000 2.402 273 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.216 273 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.216 273 G C 1.524 175.809 174.900 -1.025 0.000 1.162 273 G CA 1.254 45.636 45.100 -1.197 0.000 0.777 273 G HN 0.330 8.620 8.290 -0.000 0.000 0.539 274 T N 0.739 114.907 114.554 -0.643 0.000 2.759 274 T HA -0.106 4.243 4.350 -0.002 0.000 0.269 274 T C 2.507 176.957 174.700 -0.417 0.000 1.042 274 T CA 1.279 63.104 62.100 -0.457 0.000 1.140 274 T CB -0.123 68.635 68.868 -0.183 0.000 0.864 274 T HN 0.296 8.536 8.240 -0.000 0.000 0.455 275 R N 0.425 120.751 120.500 -0.290 0.000 2.062 275 R HA -0.077 4.262 4.340 -0.002 0.000 0.231 275 R C 2.473 178.536 176.300 -0.396 0.000 1.136 275 R CA 1.756 57.740 56.100 -0.193 0.000 0.948 275 R CB -0.530 29.807 30.300 0.061 0.000 0.845 275 R HN 0.662 8.932 8.270 -0.000 0.000 0.430 276 Y N -0.396 119.781 120.300 -0.206 0.000 2.516 276 Y HA 0.114 4.663 4.550 -0.002 0.000 0.291 276 Y C 1.609 177.347 175.900 -0.271 0.000 1.131 276 Y CA 0.332 58.292 58.100 -0.233 0.000 1.281 276 Y CB -0.551 37.891 38.460 -0.031 0.000 1.013 276 Y HN -0.072 8.208 8.280 -0.000 0.000 0.554 277 L N -0.730 120.375 121.223 -0.197 0.000 2.162 277 L HA -0.044 4.295 4.340 -0.002 0.000 0.205 277 L C 1.953 178.676 176.870 -0.245 0.000 1.086 277 L CA 0.438 55.196 54.840 -0.136 0.000 0.778 277 L CB -0.298 41.636 42.059 -0.208 0.000 0.928 277 L HN 0.239 8.469 8.230 -0.000 0.000 0.446 278 L N -0.047 120.937 121.223 -0.399 0.000 2.240 278 L HA 0.135 4.474 4.340 -0.002 0.000 0.211 278 L C 1.506 178.116 176.870 -0.433 0.000 1.106 278 L CA 1.337 55.908 54.840 -0.448 0.000 0.793 278 L CB -0.946 40.688 42.059 -0.709 0.000 0.927 278 L HN 0.387 8.617 8.230 -0.000 0.000 0.446 279 G N 0.113 108.534 108.800 -0.631 0.000 2.198 279 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.257 279 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.257 279 G C 0.142 174.629 174.900 -0.687 0.000 1.042 279 G CA 0.698 45.275 45.100 -0.871 0.000 0.791 279 G HN 0.523 8.813 8.290 -0.000 0.000 0.502 280 E N -1.848 118.010 120.200 -0.570 0.000 2.449 280 E HA 0.726 5.075 4.350 -0.002 0.000 0.278 280 E C -1.252 175.458 176.600 0.184 0.000 1.059 280 E CA -1.302 55.064 56.400 -0.056 0.000 0.854 280 E CB 0.956 30.663 29.700 0.011 0.000 1.465 280 E HN -0.008 8.352 8.360 -0.000 0.000 0.462 281 E N 1.038 121.422 120.200 0.306 0.000 2.207 281 E HA 0.396 4.744 4.350 -0.002 0.000 0.270 281 E C -2.344 174.273 176.600 0.028 0.000 0.927 281 E CA -2.299 54.258 56.400 0.261 0.000 0.799 281 E CB 1.570 31.391 29.700 0.203 0.000 1.172 281 E HN 0.339 8.699 8.360 -0.000 0.000 0.404 282 P HA 0.198 4.618 4.420 -0.000 0.000 0.275 282 P C 0.585 177.553 177.300 -0.553 0.000 1.228 282 P CA -0.065 62.478 63.100 -0.929 0.000 0.786 282 P CB 0.756 31.922 31.700 -0.890 0.000 0.927 283 I N -0.825 119.461 120.570 -0.473 0.000 4.057 283 I HA 0.334 4.503 4.170 -0.002 0.000 0.334 283 I C 0.338 176.264 176.117 -0.318 0.000 1.308 283 I CA -0.087 61.004 61.300 -0.349 0.000 1.125 283 I CB -0.049 37.824 38.000 -0.212 0.000 1.034 283 I HN 0.359 8.569 8.210 -0.000 0.000 0.401 284 E N 1.401 121.407 120.200 -0.323 0.000 2.431 284 E HA 0.515 4.864 4.350 -0.002 0.000 0.287 284 E C -1.308 175.174 176.600 -0.196 0.000 1.032 284 E CA -1.017 55.249 56.400 -0.224 0.000 0.839 284 E CB 2.011 31.626 29.700 -0.142 0.000 1.218 284 E HN 0.038 8.398 8.360 -0.000 0.000 0.424 285 V N -0.161 119.677 119.914 -0.126 0.000 3.001 285 V HA 0.847 4.966 4.120 -0.002 0.000 0.314 285 V C -0.734 175.363 176.094 0.005 0.000 1.099 285 V CA -0.925 61.341 62.300 -0.056 0.000 0.989 285 V CB 1.905 33.698 31.823 -0.049 0.000 1.040 285 V HN 0.827 9.017 8.190 -0.000 0.000 0.434 286 R N 1.483 122.016 120.500 0.056 0.000 2.651 286 R HA 0.918 5.256 4.340 -0.002 0.000 0.278 286 R C -0.839 175.546 176.300 0.142 0.000 1.010 286 R CA -0.210 55.936 56.100 0.077 0.000 0.896 286 R CB 2.351 32.682 30.300 0.052 0.000 1.211 286 R HN 1.307 9.577 8.270 -0.000 0.000 0.456 287 A N 1.606 124.523 122.820 0.162 0.000 2.599 287 A HA 0.705 5.024 4.320 -0.002 0.000 0.290 287 A C -2.239 175.510 177.584 0.274 0.000 1.101 287 A CA -0.583 51.591 52.037 0.229 0.000 0.674 287 A CB 1.827 20.973 19.000 0.243 0.000 1.277 287 A HN 0.645 8.795 8.150 -0.000 0.000 0.419 288 Y N -0.329 120.051 120.300 0.135 0.000 2.552 288 Y HA 0.709 5.258 4.550 -0.002 0.000 0.337 288 Y C -0.626 175.357 175.900 0.138 0.000 1.094 288 Y CA 0.043 58.211 58.100 0.114 0.000 1.028 288 Y CB 1.957 40.464 38.460 0.078 0.000 1.321 288 Y HN 1.114 9.394 8.280 -0.000 0.000 0.456 289 T N 4.742 118.858 114.554 -0.731 0.000 2.909 289 T HA 0.627 4.976 4.350 -0.002 0.000 0.299 289 T C -2.523 171.743 174.700 -0.724 0.000 1.073 289 T CA -0.337 61.433 62.100 -0.549 0.000 0.999 289 T CB 1.048 69.806 68.868 -0.184 0.000 1.098 289 T HN 0.633 8.873 8.240 -0.000 0.000 0.477 290 Y N 1.610 121.602 120.300 -0.513 0.000 2.513 290 Y HA 0.657 5.206 4.550 -0.001 0.000 0.340 290 Y C -1.346 174.437 175.900 -0.195 0.000 1.055 290 Y CA -0.540 57.378 58.100 -0.304 0.000 1.020 290 Y CB 2.100 40.454 38.460 -0.176 0.000 1.301 290 Y HN 0.696 8.976 8.280 -0.000 0.000 0.453 291 S N 3.821 118.868 115.700 -1.088 0.000 2.546 291 S HA 0.186 4.655 4.470 -0.002 0.000 0.272 291 S C -1.888 172.227 174.600 -0.809 0.000 1.140 291 S CA -0.907 56.831 58.200 -0.769 0.000 0.920 291 S CB 1.506 64.459 63.200 -0.412 0.000 1.083 291 S HN 0.732 9.042 8.310 -0.000 0.000 0.476 292 D N 3.689 123.876 120.400 -0.355 0.000 2.451 292 D HA 0.078 4.717 4.640 -0.002 0.000 0.254 292 D C -0.868 175.411 176.300 -0.035 0.000 1.204 292 D CA -1.353 52.588 54.000 -0.099 0.000 0.896 292 D CB 0.850 41.712 40.800 0.102 0.000 1.136 292 D HN 0.140 8.510 8.370 -0.000 0.000 0.499 293 P HA -0.129 4.291 4.420 -0.000 0.000 0.225 293 P C 0.253 177.564 177.300 0.019 0.000 1.148 293 P CA 0.754 63.853 63.100 -0.001 0.000 0.779 293 P CB 0.383 32.099 31.700 0.027 0.000 0.780 294 N N -0.519 118.199 118.700 0.030 0.000 2.299 294 N HA -0.003 4.736 4.740 -0.002 0.000 0.187 294 N C 0.352 175.862 175.510 -0.001 0.000 1.099 294 N CA 0.245 53.305 53.050 0.018 0.000 0.867 294 N CB -0.039 38.464 38.487 0.027 0.000 0.974 294 N HN 0.172 8.552 8.380 -0.000 0.000 0.477 295 D N 1.778 122.183 120.400 0.008 0.000 2.317 295 D HA -0.012 4.627 4.640 -0.002 0.000 0.252 295 D C 1.138 177.350 176.300 -0.146 0.000 1.174 295 D CA -0.092 53.872 54.000 -0.061 0.000 0.866 295 D CB 1.225 42.021 40.800 -0.007 0.000 1.127 295 D HN 0.304 8.674 8.370 -0.000 0.000 0.467 296 E N 3.311 123.408 120.200 -0.171 0.000 2.409 296 E HA -0.164 4.185 4.350 -0.002 0.000 0.198 296 E C 1.183 177.622 176.600 -0.269 0.000 1.024 296 E CA 0.622 56.920 56.400 -0.170 0.000 0.861 296 E CB 0.109 29.730 29.700 -0.131 0.000 0.788 296 E HN 0.382 8.742 8.360 -0.000 0.000 0.521 297 R N -0.090 120.103 120.500 -0.511 0.000 2.115 297 R HA -0.004 4.335 4.340 -0.002 0.000 0.226 297 R C 0.491 176.411 176.300 -0.632 0.000 1.100 297 R CA 1.045 56.701 56.100 -0.740 0.000 0.980 297 R CB -0.032 29.503 30.300 -1.275 0.000 0.875 297 R HN 0.223 8.493 8.270 -0.000 0.000 0.445 298 F N -0.280 119.645 119.950 -0.042 0.000 2.837 298 F HA 0.185 4.711 4.527 -0.002 0.000 0.298 298 F C 1.379 177.149 175.800 -0.049 0.000 1.161 298 F CA -0.721 57.258 58.000 -0.035 0.000 1.353 298 F CB -0.092 38.883 39.000 -0.042 0.000 0.951 298 F HN -0.275 8.025 8.300 -0.000 0.000 0.508 299 V N -0.028 119.906 119.914 0.034 0.000 2.343 299 V HA -0.226 3.893 4.120 -0.002 0.000 0.247 299 V C 1.882 177.989 176.094 0.021 0.000 1.051 299 V CA 2.133 64.441 62.300 0.013 0.000 1.036 299 V CB -0.253 31.559 31.823 -0.019 0.000 0.654 299 V HN 0.414 8.604 8.190 -0.000 0.000 0.451 300 E N -0.623 119.594 120.200 0.028 0.000 2.330 300 E HA 0.142 4.490 4.350 -0.002 0.000 0.200 300 E C 0.427 177.039 176.600 0.021 0.000 0.922 300 E CA 0.339 56.749 56.400 0.016 0.000 0.935 300 E CB 1.074 30.781 29.700 0.012 0.000 0.917 300 E HN 0.560 8.920 8.360 -0.000 0.000 0.491 301 V N 0.354 120.315 119.914 0.078 0.000 2.881 301 V HA 0.351 4.470 4.120 -0.002 0.000 0.316 301 V C -0.162 176.005 176.094 0.123 0.000 1.070 301 V CA -1.178 61.174 62.300 0.087 0.000 0.976 301 V CB 1.887 33.804 31.823 0.157 0.000 1.038 301 V HN 0.060 8.250 8.190 -0.000 0.000 0.446 302 E N 1.855 122.064 120.200 0.015 0.000 2.366 302 E HA 0.133 4.482 4.350 -0.002 0.000 0.266 302 E C -0.280 176.205 176.600 -0.192 0.000 1.051 302 E CA 0.039 56.383 56.400 -0.093 0.000 0.884 302 E CB 1.777 31.409 29.700 -0.114 0.000 1.006 302 E HN 0.850 9.210 8.360 -0.000 0.000 0.417 303 D N 2.839 122.897 120.400 -0.570 0.000 2.255 303 D HA -0.006 4.633 4.640 -0.002 0.000 0.224 303 D C -0.115 175.920 176.300 -0.442 0.000 0.997 303 D CA 0.827 54.277 54.000 -0.916 0.000 0.906 303 D CB 0.402 40.184 40.800 -1.697 0.000 1.047 303 D HN 0.410 8.780 8.370 -0.000 0.000 0.458 304 R N -0.121 120.183 120.500 -0.327 0.000 2.562 304 R HA 0.643 4.982 4.340 -0.002 0.000 0.298 304 R C -0.871 175.379 176.300 -0.083 0.000 0.961 304 R CA -0.643 55.369 56.100 -0.146 0.000 0.881 304 R CB 2.529 32.786 30.300 -0.072 0.000 1.159 304 R HN 0.227 8.497 8.270 -0.000 0.000 0.450 305 I N 3.314 123.900 120.570 0.027 0.000 2.656 305 I HA 0.465 4.634 4.170 -0.002 0.000 0.292 305 I C -1.470 174.793 176.117 0.244 0.000 1.144 305 I CA -0.792 60.580 61.300 0.119 0.000 1.038 305 I CB 1.700 39.810 38.000 0.183 0.000 1.244 305 I HN 0.586 8.796 8.210 -0.000 0.000 0.420 306 I N 6.990 127.688 120.570 0.213 0.000 2.465 306 I HA 0.459 4.628 4.170 -0.002 0.000 0.291 306 I C -1.444 174.819 176.117 0.245 0.000 1.014 306 I CA -0.439 60.926 61.300 0.110 0.000 1.093 306 I CB 1.488 39.534 38.000 0.076 0.000 1.267 306 I HN 0.645 8.855 8.210 -0.000 0.000 0.431 307 W N 5.926 127.254 121.300 0.047 0.000 2.936 307 W HA 0.723 5.382 4.660 -0.001 0.000 0.338 307 W C -1.541 175.005 176.519 0.044 0.000 1.121 307 W CA -0.748 56.615 57.345 0.031 0.000 1.209 307 W CB 0.691 30.143 29.460 -0.014 0.000 1.420 307 W HN 0.507 8.687 8.180 -0.000 0.000 0.516 308 Q N 3.032 122.928 119.800 0.160 0.000 2.397 308 Q HA 0.817 5.156 4.340 -0.002 0.000 0.275 308 Q C -1.164 174.903 176.000 0.111 0.000 1.090 308 Q CA -1.079 54.778 55.803 0.091 0.000 0.809 308 Q CB 2.960 31.731 28.738 0.056 0.000 1.362 308 Q HN 0.771 9.041 8.270 -0.000 0.000 0.431 309 M N 1.200 120.855 119.600 0.090 0.000 2.631 309 M HA 0.605 5.084 4.480 -0.002 0.000 0.288 309 M C -1.007 175.252 176.300 -0.069 0.000 1.260 309 M CA -0.817 54.452 55.300 -0.053 0.000 0.842 309 M CB 3.168 35.659 32.600 -0.182 0.000 1.743 309 M HN 0.715 9.005 8.290 -0.000 0.000 0.461 310 R N 0.729 121.089 120.500 -0.233 0.000 2.670 310 R HA 0.767 5.106 4.340 -0.002 0.000 0.289 310 R C -1.980 174.115 176.300 -0.341 0.000 0.965 310 R CA -0.324 55.709 56.100 -0.112 0.000 0.899 310 R CB 1.475 31.733 30.300 -0.069 0.000 1.173 310 R HN 0.551 8.821 8.270 -0.000 0.000 0.456 311 F N 1.570 121.486 119.950 -0.056 0.000 2.541 311 F HA 0.409 4.935 4.527 -0.002 0.000 0.331 311 F C 1.416 177.182 175.800 -0.056 0.000 1.057 311 F CA -1.082 56.879 58.000 -0.065 0.000 0.975 311 F CB 1.182 40.139 39.000 -0.071 0.000 1.246 311 F HN 0.487 8.787 8.300 -0.000 0.000 0.484 312 R N 0.630 121.194 120.500 0.106 0.000 2.193 312 R HA -0.120 4.218 4.340 -0.002 0.000 0.229 312 R C 1.787 178.118 176.300 0.052 0.000 1.110 312 R CA 1.764 57.892 56.100 0.047 0.000 0.988 312 R CB -0.642 29.675 30.300 0.028 0.000 0.871 312 R HN 0.664 8.934 8.270 -0.000 0.000 0.458 313 S N -2.257 113.488 115.700 0.076 0.000 2.527 313 S HA 0.178 4.647 4.470 -0.002 0.000 0.222 313 S C 1.459 176.077 174.600 0.031 0.000 0.985 313 S CA 0.471 58.691 58.200 0.034 0.000 0.921 313 S CB 0.263 63.466 63.200 0.005 0.000 0.772 313 S HN 0.526 8.836 8.310 -0.000 0.000 0.529 314 G N 0.663 109.499 108.800 0.059 0.000 2.218 314 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.216 314 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.216 314 G C 0.302 175.239 174.900 0.062 0.000 0.994 314 G CA -0.146 44.982 45.100 0.045 0.000 0.637 314 G HN 1.247 9.537 8.290 -0.000 0.000 0.505 315 A N 0.468 123.328 122.820 0.068 0.000 2.483 315 A HA 0.670 4.988 4.320 -0.002 0.000 0.238 315 A C 0.506 178.196 177.584 0.178 0.000 1.070 315 A CA 0.569 52.629 52.037 0.038 0.000 0.770 315 A CB 0.248 19.174 19.000 -0.123 0.000 1.008 315 A HN 0.940 9.090 8.150 -0.000 0.000 0.497 316 L N 1.063 122.356 121.223 0.117 0.000 2.279 316 L HA 0.765 5.104 4.340 -0.002 0.000 0.262 316 L C 0.321 177.284 176.870 0.154 0.000 1.019 316 L CA -0.555 54.390 54.840 0.175 0.000 0.823 316 L CB 2.313 44.431 42.059 0.098 0.000 1.358 316 L HN 0.920 9.150 8.230 -0.000 0.000 0.432 317 S N -0.785 115.031 115.700 0.194 0.000 2.550 317 S HA 0.674 5.143 4.470 -0.002 0.000 0.270 317 S C -1.370 173.288 174.600 0.097 0.000 1.145 317 S CA -0.860 57.406 58.200 0.110 0.000 0.852 317 S CB 1.805 65.099 63.200 0.157 0.000 1.119 317 S HN 0.828 9.138 8.310 -0.000 0.000 0.465 318 H N -0.827 118.166 119.070 -0.128 0.000 3.017 318 H HA 0.823 5.378 4.556 -0.002 0.000 0.340 318 H C -0.267 174.828 175.328 -0.388 0.000 1.014 318 H CA -0.633 55.272 56.048 -0.239 0.000 1.341 318 H CB 1.064 30.733 29.762 -0.157 0.000 1.739 318 H HN 0.999 9.279 8.280 -0.000 0.000 0.506 319 G N 1.131 109.469 108.800 -0.771 0.000 2.766 319 G HA2 0.849 4.808 3.960 -0.002 0.000 0.288 319 G HA3 0.849 4.808 3.960 -0.002 0.000 0.288 319 G C -1.537 172.573 174.900 -1.317 0.000 1.408 319 G CA -0.762 43.754 45.100 -0.974 0.000 0.852 319 G HN 1.100 9.390 8.290 -0.000 0.000 0.487 320 A N -0.721 121.518 122.820 -0.968 0.000 2.601 320 A HA 0.880 5.199 4.320 -0.002 0.000 0.291 320 A C -0.486 177.072 177.584 -0.043 0.000 1.075 320 A CA 0.118 51.832 52.037 -0.539 0.000 0.671 320 A CB 1.303 20.171 19.000 -0.219 0.000 1.277 320 A HN 2.084 10.234 8.150 -0.000 0.000 0.417 321 S N -0.150 115.668 115.700 0.197 0.000 2.548 321 S HA 0.875 5.344 4.470 -0.002 0.000 0.286 321 S C -0.565 174.042 174.600 0.012 0.000 1.098 321 S CA -0.332 57.961 58.200 0.154 0.000 0.930 321 S CB 1.687 65.006 63.200 0.198 0.000 1.070 321 S HN 1.903 10.213 8.310 -0.000 0.000 0.480 322 S N 0.716 116.400 115.700 -0.025 0.000 2.548 322 S HA 0.593 5.062 4.470 -0.002 0.000 0.276 322 S C -1.216 173.412 174.600 0.047 0.000 1.129 322 S CA -0.507 57.673 58.200 -0.034 0.000 0.931 322 S CB 0.929 64.139 63.200 0.016 0.000 1.068 322 S HN 0.701 9.011 8.310 -0.000 0.000 0.480 323 Y N 2.422 122.715 120.300 -0.012 0.000 2.449 323 Y HA 0.253 4.802 4.550 -0.002 0.000 0.254 323 Y C 2.075 178.067 175.900 0.153 0.000 1.140 323 Y CA 0.299 58.447 58.100 0.080 0.000 1.272 323 Y CB 0.401 38.956 38.460 0.159 0.000 1.114 323 Y HN 0.748 9.028 8.280 -0.000 0.000 0.525 324 S N -1.735 114.111 115.700 0.243 0.000 2.650 324 S HA 0.223 4.692 4.470 -0.002 0.000 0.240 324 S C 0.379 175.058 174.600 0.131 0.000 1.007 324 S CA -0.116 58.215 58.200 0.217 0.000 0.984 324 S CB -0.391 62.943 63.200 0.223 0.000 0.910 324 S HN 0.157 8.467 8.310 -0.000 0.000 0.509 325 T N -1.356 113.263 114.554 0.108 0.000 2.907 325 T HA 0.596 4.945 4.350 -0.002 0.000 0.292 325 T C -0.234 174.505 174.700 0.064 0.000 1.043 325 T CA -0.535 61.608 62.100 0.072 0.000 1.003 325 T CB 1.482 70.383 68.868 0.054 0.000 1.084 325 T HN 0.006 8.246 8.240 -0.000 0.000 0.483 326 T N 1.412 115.993 114.554 0.044 0.000 2.813 326 T HA 0.296 4.645 4.350 -0.002 0.000 0.297 326 T C 0.334 175.045 174.700 0.019 0.000 1.036 326 T CA -0.053 62.066 62.100 0.032 0.000 1.044 326 T CB -0.205 68.677 68.868 0.022 0.000 0.993 326 T HN 0.872 9.112 8.240 -0.000 0.000 0.535 327 T N 4.202 118.759 114.554 0.006 0.000 2.367 327 T HA 0.038 4.387 4.350 -0.002 0.000 0.207 327 T C -0.175 174.509 174.700 -0.026 0.000 1.065 327 T CA 0.682 62.772 62.100 -0.018 0.000 1.252 327 T CB -0.570 68.280 68.868 -0.029 0.000 1.023 327 T HN 0.678 8.918 8.240 -0.000 0.000 0.462 328 T N 2.791 117.324 114.554 -0.035 0.000 3.032 328 T HA 0.531 4.880 4.350 -0.002 0.000 0.312 328 T C -0.434 174.222 174.700 -0.074 0.000 1.078 328 T CA -0.756 61.319 62.100 -0.042 0.000 1.028 328 T CB 1.893 70.753 68.868 -0.014 0.000 1.091 328 T HN 0.413 8.653 8.240 -0.000 0.000 0.457 329 S N 2.574 118.201 115.700 -0.121 0.000 2.385 329 S HA 0.477 4.946 4.470 -0.002 0.000 0.191 329 S C -0.943 173.488 174.600 -0.281 0.000 1.196 329 S CA -0.707 57.358 58.200 -0.225 0.000 1.178 329 S CB 0.158 63.187 63.200 -0.285 0.000 1.258 329 S HN 0.690 9.000 8.310 -0.000 0.000 0.430 330 R N 3.437 123.822 120.500 -0.191 0.000 2.502 330 R HA 0.638 4.976 4.340 -0.002 0.000 0.300 330 R C -1.888 174.492 176.300 0.134 0.000 0.984 330 R CA -0.437 55.598 56.100 -0.108 0.000 0.882 330 R CB 0.687 30.968 30.300 -0.033 0.000 1.180 330 R HN 0.354 8.624 8.270 -0.000 0.000 0.444 331 F N 1.212 121.138 119.950 -0.041 0.000 2.520 331 F HA 0.510 5.035 4.527 -0.002 0.000 0.322 331 F C 0.128 175.889 175.800 -0.064 0.000 1.103 331 F CA -1.092 56.872 58.000 -0.060 0.000 0.926 331 F CB 2.312 41.287 39.000 -0.041 0.000 1.154 331 F HN 0.359 8.659 8.300 -0.000 0.000 0.453 332 S N 2.103 117.859 115.700 0.094 0.000 2.557 332 S HA 0.792 5.261 4.470 -0.002 0.000 0.291 332 S C -1.640 172.936 174.600 -0.041 0.000 1.116 332 S CA -0.423 57.786 58.200 0.015 0.000 0.992 332 S CB 1.222 64.412 63.200 -0.016 0.000 1.028 332 S HN 0.312 8.622 8.310 -0.000 0.000 0.484 333 V N 6.024 125.919 119.914 -0.033 0.000 2.409 333 V HA 0.427 4.546 4.120 -0.002 0.000 0.290 333 V C -0.577 175.488 176.094 -0.048 0.000 1.017 333 V CA -0.669 61.591 62.300 -0.067 0.000 0.841 333 V CB 1.398 33.178 31.823 -0.072 0.000 1.003 333 V HN 0.886 9.076 8.190 -0.000 0.000 0.426 334 Q N 2.891 122.661 119.800 -0.051 0.000 2.257 334 Q HA 0.704 5.043 4.340 -0.002 0.000 0.255 334 Q C 0.375 176.351 176.000 -0.040 0.000 0.920 334 Q CA -0.313 55.470 55.803 -0.033 0.000 0.927 334 Q CB 2.416 31.142 28.738 -0.020 0.000 1.229 334 Q HN 0.845 9.114 8.270 -0.000 0.000 0.433 335 G N 0.841 109.622 108.800 -0.031 0.000 3.013 335 G HA2 0.248 4.207 3.960 -0.002 0.000 0.278 335 G HA3 0.248 4.207 3.960 -0.002 0.000 0.278 335 G C -0.251 174.637 174.900 -0.021 0.000 1.353 335 G CA -0.655 44.426 45.100 -0.033 0.000 1.043 335 G HN 0.737 9.027 8.290 -0.000 0.000 0.523 336 D N -1.445 118.943 120.400 -0.020 0.000 2.340 336 D HA 0.022 4.660 4.640 -0.002 0.000 0.220 336 D C 1.221 177.515 176.300 -0.010 0.000 1.039 336 D CA 0.321 54.313 54.000 -0.014 0.000 0.866 336 D CB 0.740 41.532 40.800 -0.013 0.000 0.913 336 D HN 0.452 8.822 8.370 -0.000 0.000 0.523 337 K N -0.399 119.994 120.400 -0.012 0.000 2.403 337 K HA 0.425 4.744 4.320 -0.002 0.000 0.199 337 K C 0.048 176.645 176.600 -0.005 0.000 1.199 337 K CA 0.372 56.654 56.287 -0.009 0.000 0.924 337 K CB 0.968 33.460 32.500 -0.013 0.000 1.137 337 K HN 0.099 8.349 8.250 -0.000 0.000 0.510 338 A N 0.025 122.841 122.820 -0.007 0.000 2.599 338 A HA 0.601 4.920 4.320 -0.002 0.000 0.290 338 A C -1.727 175.854 177.584 -0.004 0.000 1.101 338 A CA -0.676 51.360 52.037 -0.001 0.000 0.674 338 A CB 1.809 20.808 19.000 -0.003 0.000 1.277 338 A HN -0.090 8.060 8.150 -0.000 0.000 0.419 339 V N 0.780 120.695 119.914 0.002 0.000 2.588 339 V HA 0.560 4.679 4.120 -0.002 0.000 0.304 339 V C -0.958 175.139 176.094 0.005 0.000 1.042 339 V CA -0.450 61.849 62.300 -0.001 0.000 0.877 339 V CB 1.439 33.264 31.823 0.002 0.000 0.996 339 V HN 0.893 9.083 8.190 -0.000 0.000 0.425 340 L N 5.937 127.161 121.223 0.002 0.000 2.282 340 L HA 0.717 5.056 4.340 -0.002 0.000 0.288 340 L C -0.903 175.981 176.870 0.024 0.000 1.033 340 L CA -0.176 54.673 54.840 0.014 0.000 0.807 340 L CB 1.337 43.405 42.059 0.015 0.000 1.209 340 L HN 0.636 8.866 8.230 -0.000 0.000 0.423 341 L N 6.211 127.450 121.223 0.026 0.000 2.319 341 L HA 0.602 4.940 4.340 -0.002 0.000 0.281 341 L C -1.054 175.833 176.870 0.028 0.000 1.005 341 L CA -0.235 54.622 54.840 0.028 0.000 0.828 341 L CB 1.399 43.468 42.059 0.015 0.000 1.227 341 L HN 0.686 8.916 8.230 -0.000 0.000 0.415 342 M N 5.021 124.644 119.600 0.039 0.000 2.066 342 M HA 0.426 4.905 4.480 -0.002 0.000 0.340 342 M C -1.218 175.038 176.300 -0.073 0.000 1.053 342 M CA -0.252 55.048 55.300 0.001 0.000 0.983 342 M CB 1.170 33.796 32.600 0.044 0.000 1.520 342 M HN 0.513 8.803 8.290 -0.000 0.000 0.428 343 D N 5.053 125.413 120.400 -0.068 0.000 2.369 343 D HA 0.332 4.971 4.640 -0.002 0.000 0.212 343 D C -2.831 173.433 176.300 -0.059 0.000 1.326 343 D CA -1.043 52.907 54.000 -0.084 0.000 0.933 343 D CB 2.021 42.789 40.800 -0.053 0.000 1.516 343 D HN 0.130 8.500 8.370 -0.000 0.000 0.557 344 P HA 0.273 4.693 4.420 -0.000 0.000 0.268 344 P C -0.106 177.094 177.300 -0.167 0.000 1.204 344 P CA -0.108 62.920 63.100 -0.120 0.000 0.768 344 P CB 1.296 32.944 31.700 -0.086 0.000 0.842 345 A N 2.767 125.403 122.820 -0.308 0.000 1.901 345 A HA 0.039 4.358 4.320 -0.002 0.000 0.210 345 A C 1.280 178.658 177.584 -0.343 0.000 1.208 345 A CA 1.650 53.418 52.037 -0.449 0.000 0.644 345 A CB -0.741 17.586 19.000 -1.122 0.000 0.863 345 A HN 0.535 8.685 8.150 -0.000 0.000 0.454 346 T N -2.513 111.819 114.554 -0.369 0.000 3.415 346 T HA 0.502 4.851 4.350 -0.002 0.000 0.282 346 T C 0.579 175.127 174.700 -0.254 0.000 1.007 346 T CA 0.295 62.254 62.100 -0.234 0.000 0.958 346 T CB -0.059 68.654 68.868 -0.259 0.000 1.171 346 T HN 0.502 8.742 8.240 -0.000 0.000 0.500 347 G N 0.186 108.869 108.800 -0.195 0.000 2.636 347 G HA2 0.364 4.323 3.960 -0.002 0.000 0.246 347 G HA3 0.364 4.323 3.960 -0.002 0.000 0.246 347 G C 0.243 175.093 174.900 -0.085 0.000 1.216 347 G CA -0.473 44.515 45.100 -0.187 0.000 0.854 347 G HN 0.265 8.555 8.290 -0.000 0.000 0.572 348 Y N -0.370 119.791 120.300 -0.232 0.000 2.352 348 Y HA 0.095 4.644 4.550 -0.002 0.000 0.292 348 Y C 0.518 176.104 175.900 -0.522 0.000 1.136 348 Y CA 0.209 58.099 58.100 -0.351 0.000 1.227 348 Y CB -0.412 37.650 38.460 -0.664 0.000 0.991 348 Y HN 0.438 8.718 8.280 -0.000 0.000 0.545 349 Y N -2.740 117.721 120.300 0.268 0.000 2.715 349 Y HA 0.359 4.908 4.550 -0.002 0.000 0.331 349 Y C 0.438 176.384 175.900 0.077 0.000 1.197 349 Y CA -2.398 55.800 58.100 0.162 0.000 1.079 349 Y CB 0.214 38.769 38.460 0.158 0.000 1.298 349 Y HN -0.332 7.948 8.280 -0.000 0.000 0.477 350 Q N -0.284 119.660 119.800 0.241 0.000 2.435 350 Q HA -0.267 4.071 4.340 -0.002 0.000 0.286 350 Q C -0.941 175.094 176.000 0.058 0.000 1.229 350 Q CA 0.640 56.515 55.803 0.120 0.000 0.884 350 Q CB -1.695 27.110 28.738 0.111 0.000 1.245 350 Q HN 0.901 9.171 8.270 -0.000 0.000 0.488 351 N N 0.071 118.798 118.700 0.044 0.000 2.416 351 N HA 0.362 5.101 4.740 -0.002 0.000 0.246 351 N C -0.193 175.320 175.510 0.006 0.000 1.260 351 N CA -0.091 52.961 53.050 0.004 0.000 0.897 351 N CB 0.413 38.901 38.487 0.000 0.000 1.110 351 N HN 0.177 8.557 8.380 -0.000 0.000 0.439 352 L N 2.722 123.940 121.223 -0.009 0.000 2.543 352 L HA 0.524 4.862 4.340 -0.002 0.000 0.265 352 L C -1.253 175.616 176.870 -0.002 0.000 0.945 352 L CA -0.495 54.344 54.840 -0.001 0.000 0.869 352 L CB 1.308 43.365 42.059 -0.003 0.000 1.294 352 L HN 0.486 8.716 8.230 -0.000 0.000 0.405 353 I N 0.884 121.459 120.570 0.009 0.000 2.740 353 I HA 0.915 5.084 4.170 -0.002 0.000 0.303 353 I C -0.825 175.302 176.117 0.017 0.000 1.044 353 I CA -0.579 60.730 61.300 0.016 0.000 1.064 353 I CB 2.267 40.283 38.000 0.028 0.000 1.249 353 I HN 0.634 8.844 8.210 -0.000 0.000 0.433 354 S N 3.511 119.222 115.700 0.019 0.000 2.603 354 S HA 0.559 5.028 4.470 -0.002 0.000 0.274 354 S C -1.159 173.454 174.600 0.021 0.000 1.168 354 S CA -0.476 57.736 58.200 0.019 0.000 0.963 354 S CB 1.691 64.902 63.200 0.018 0.000 1.078 354 S HN 0.551 8.861 8.310 -0.000 0.000 0.477 355 V N 5.717 125.644 119.914 0.021 0.000 2.383 355 V HA 0.445 4.564 4.120 -0.002 0.000 0.275 355 V C -0.059 176.052 176.094 0.029 0.000 1.036 355 V CA -0.343 61.968 62.300 0.018 0.000 0.889 355 V CB 1.124 32.953 31.823 0.010 0.000 0.985 355 V HN 0.856 9.046 8.190 -0.000 0.000 0.459 356 Q N 3.171 122.988 119.800 0.029 0.000 2.312 356 Q HA 0.728 5.066 4.340 -0.002 0.000 0.263 356 Q C -0.242 175.786 176.000 0.047 0.000 0.995 356 Q CA -0.599 55.229 55.803 0.042 0.000 0.853 356 Q CB 2.444 31.200 28.738 0.030 0.000 1.300 356 Q HN 0.906 9.176 8.270 -0.000 0.000 0.448 357 T N -1.572 113.030 114.554 0.080 0.000 2.883 357 T HA 0.503 4.852 4.350 -0.002 0.000 0.301 357 T C -2.837 171.923 174.700 0.101 0.000 1.158 357 T CA -2.459 59.693 62.100 0.088 0.000 1.007 357 T CB 1.344 70.273 68.868 0.102 0.000 1.186 357 T HN 0.168 8.408 8.240 -0.000 0.000 0.499 358 P HA 0.264 4.684 4.420 -0.000 0.000 0.256 358 P C 1.147 178.435 177.300 -0.020 0.000 1.173 358 P CA 1.616 64.732 63.100 0.027 0.000 0.768 358 P CB -0.208 31.506 31.700 0.025 0.000 0.758 359 G N 1.671 110.400 108.800 -0.117 0.000 2.159 359 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.256 359 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.256 359 G C 0.034 174.563 174.900 -0.618 0.000 0.977 359 G CA -0.339 44.564 45.100 -0.328 0.000 0.652 359 G HN 0.706 8.996 8.290 -0.000 0.000 0.531 360 H N -0.890 118.180 119.070 0.001 0.000 2.930 360 H HA 0.701 5.256 4.556 -0.002 0.000 0.371 360 H C -0.303 175.026 175.328 0.001 0.000 1.169 360 H CA -0.079 55.970 56.048 0.001 0.000 1.157 360 H CB 2.013 31.776 29.762 0.001 0.000 1.789 360 H HN 0.906 9.186 8.280 -0.000 0.000 0.547 361 A N 2.759 125.654 122.820 0.126 0.000 2.768 361 A HA 0.266 4.585 4.320 -0.002 0.000 0.299 361 A C -0.851 176.771 177.584 0.062 0.000 1.171 361 A CA -0.768 51.311 52.037 0.070 0.000 0.759 361 A CB -0.113 18.910 19.000 0.038 0.000 1.267 361 A HN 0.764 8.914 8.150 -0.000 0.000 0.421 362 N N 2.363 121.095 118.700 0.054 0.000 2.469 362 N HA 0.278 5.017 4.740 -0.002 0.000 0.239 362 N C -0.355 175.171 175.510 0.026 0.000 1.053 362 N CA -0.240 52.832 53.050 0.036 0.000 0.937 362 N CB 0.818 39.318 38.487 0.021 0.000 1.163 362 N HN 0.707 9.087 8.380 -0.000 0.000 0.509 363 Q N 1.034 120.848 119.800 0.024 0.000 2.227 363 Q HA 0.504 4.842 4.340 -0.002 0.000 0.245 363 Q C -0.603 175.407 176.000 0.018 0.000 0.926 363 Q CA -0.423 55.392 55.803 0.019 0.000 0.895 363 Q CB 1.700 30.448 28.738 0.017 0.000 1.230 363 Q HN 0.383 8.653 8.270 -0.000 0.000 0.450 364 S N 2.149 117.859 115.700 0.017 0.000 2.549 364 S HA 0.788 5.257 4.470 -0.002 0.000 0.280 364 S C -0.843 173.767 174.600 0.016 0.000 1.109 364 S CA -0.793 57.417 58.200 0.017 0.000 0.905 364 S CB 1.573 64.783 63.200 0.018 0.000 1.081 364 S HN 0.637 8.947 8.310 -0.000 0.000 0.477 365 M N 0.373 119.983 119.600 0.017 0.000 2.949 365 M HA 0.568 5.047 4.480 -0.002 0.000 0.270 365 M C -1.850 174.462 176.300 0.019 0.000 1.221 365 M CA -0.877 54.434 55.300 0.017 0.000 0.818 365 M CB 0.487 33.094 32.600 0.013 0.000 1.635 365 M HN 0.426 8.716 8.290 -0.000 0.000 0.492 366 M N 2.012 121.626 119.600 0.023 0.000 2.239 366 M HA 0.365 4.844 4.480 -0.002 0.000 0.348 366 M C -2.062 174.244 176.300 0.011 0.000 1.239 366 M CA -1.157 54.158 55.300 0.025 0.000 1.114 366 M CB -1.054 31.568 32.600 0.036 0.000 1.641 366 M HN 0.451 8.741 8.290 -0.000 0.000 0.453 367 P HA -0.013 4.407 4.420 -0.000 0.000 0.271 367 P C 0.554 177.829 177.300 -0.042 0.000 1.238 367 P CA -0.112 62.993 63.100 0.009 0.000 0.794 367 P CB 0.368 32.096 31.700 0.047 0.000 0.959 368 Q N -0.044 119.688 119.800 -0.113 0.000 2.408 368 Q HA 0.061 4.399 4.340 -0.002 0.000 0.205 368 Q C 0.459 176.152 176.000 -0.511 0.000 0.919 368 Q CA 1.450 57.054 55.803 -0.332 0.000 0.932 368 Q CB -0.112 28.336 28.738 -0.483 0.000 1.058 368 Q HN 0.435 8.705 8.270 -0.000 0.000 0.517 369 F N 1.048 121.013 119.950 0.026 0.000 2.658 369 F HA 0.356 4.882 4.527 -0.002 0.000 0.293 369 F C 1.162 176.980 175.800 0.031 0.000 0.986 369 F CA -0.667 57.349 58.000 0.026 0.000 1.182 369 F CB 0.512 39.527 39.000 0.025 0.000 0.965 369 F HN -0.034 8.266 8.300 -0.000 0.000 0.659 370 I N -1.042 119.653 120.570 0.209 0.000 2.676 370 I HA 0.499 4.668 4.170 -0.002 0.000 0.309 370 I C -0.330 175.841 176.117 0.090 0.000 0.990 370 I CA -0.853 60.528 61.300 0.136 0.000 1.168 370 I CB 2.126 40.197 38.000 0.118 0.000 1.343 370 I HN 0.046 8.256 8.210 -0.000 0.000 0.482 371 M N 5.011 124.657 119.600 0.076 0.000 2.066 371 M HA 0.379 4.858 4.480 -0.002 0.000 0.264 371 M C -2.281 174.052 176.300 0.054 0.000 0.886 371 M CA -1.695 53.641 55.300 0.061 0.000 0.810 371 M CB 1.195 33.831 32.600 0.061 0.000 1.451 371 M HN 0.399 8.689 8.290 -0.000 0.000 0.373 372 P HA -0.058 4.362 4.420 -0.000 0.000 0.217 372 P C -0.277 177.046 177.300 0.039 0.000 1.148 372 P CA 0.921 64.046 63.100 0.041 0.000 0.828 372 P CB 0.259 31.982 31.700 0.038 0.000 0.783 373 A N -1.719 121.127 122.820 0.042 0.000 2.498 373 A HA 0.507 4.826 4.320 -0.002 0.000 0.298 373 A C -0.465 177.149 177.584 0.049 0.000 1.075 373 A CA -0.603 51.461 52.037 0.044 0.000 0.714 373 A CB 0.821 19.846 19.000 0.042 0.000 1.299 373 A HN -0.181 7.969 8.150 -0.000 0.000 0.407 374 N N 1.740 120.471 118.700 0.051 0.000 2.444 374 N HA 0.044 4.782 4.740 -0.002 0.000 0.255 374 N C 0.060 175.604 175.510 0.057 0.000 1.255 374 N CA -0.067 53.015 53.050 0.053 0.000 0.933 374 N CB 0.436 38.951 38.487 0.046 0.000 1.143 374 N HN 0.860 9.240 8.380 -0.000 0.000 0.453 375 N N 0.968 119.711 118.700 0.073 0.000 2.416 375 N HA -0.097 4.642 4.740 -0.002 0.000 0.246 375 N C 0.930 176.442 175.510 0.004 0.000 1.260 375 N CA -0.065 53.029 53.050 0.073 0.000 0.897 375 N CB 0.652 39.245 38.487 0.176 0.000 1.110 375 N HN 0.652 9.032 8.380 -0.000 0.000 0.439 376 Q N 0.670 120.395 119.800 -0.126 0.000 2.197 376 Q HA -0.203 4.136 4.340 -0.002 0.000 0.207 376 Q C 0.929 176.795 176.000 -0.224 0.000 0.984 376 Q CA 1.551 57.236 55.803 -0.196 0.000 0.869 376 Q CB -0.436 28.102 28.738 -0.333 0.000 0.906 376 Q HN 0.664 8.934 8.270 -0.000 0.000 0.426 377 F N 1.911 121.881 119.950 0.032 0.000 2.084 377 F HA -0.067 4.459 4.527 -0.002 0.000 0.296 377 F C 2.752 178.477 175.800 -0.125 0.000 1.111 377 F CA 1.272 59.246 58.000 -0.044 0.000 1.224 377 F CB -0.783 38.162 39.000 -0.092 0.000 0.991 377 F HN 0.001 8.301 8.300 -0.000 0.000 0.471 378 S N 0.345 116.095 115.700 0.083 0.000 2.370 378 S HA -0.200 4.268 4.470 -0.002 0.000 0.226 378 S C 2.365 176.926 174.600 -0.064 0.000 1.033 378 S CA 1.106 59.283 58.200 -0.040 0.000 1.011 378 S CB -0.884 62.323 63.200 0.011 0.000 0.852 378 S HN 0.368 8.678 8.310 -0.000 0.000 0.457 379 A N 1.420 124.223 122.820 -0.028 0.000 1.883 379 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 379 A C 2.148 179.623 177.584 -0.183 0.000 1.186 379 A CA 1.866 53.884 52.037 -0.032 0.000 0.624 379 A CB -0.823 18.206 19.000 0.049 0.000 0.822 379 A HN 0.569 8.719 8.150 -0.000 0.000 0.444 380 Q N -0.374 119.265 119.800 -0.268 0.000 2.061 380 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 380 Q C 2.066 177.861 176.000 -0.341 0.000 0.984 380 Q CA 1.741 57.222 55.803 -0.535 0.000 0.846 380 Q CB -0.258 28.335 28.738 -0.242 0.000 0.902 380 Q HN 0.693 8.963 8.270 -0.000 0.000 0.421 381 L N 0.671 121.742 121.223 -0.253 0.000 2.046 381 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 381 L C 2.100 178.954 176.870 -0.028 0.000 1.077 381 L CA 1.248 55.941 54.840 -0.245 0.000 0.747 381 L CB -0.440 41.297 42.059 -0.536 0.000 0.896 381 L HN 0.227 8.457 8.230 -0.000 0.000 0.432 382 D N -1.374 118.997 120.400 -0.048 0.000 2.219 382 D HA -0.186 4.453 4.640 -0.002 0.000 0.205 382 D C 1.967 178.234 176.300 -0.054 0.000 0.970 382 D CA 0.967 54.981 54.000 0.023 0.000 0.851 382 D CB -0.079 40.766 40.800 0.075 0.000 0.943 382 D HN 0.358 8.728 8.370 -0.000 0.000 0.488 383 H N 0.258 119.204 119.070 -0.206 0.000 2.352 383 H HA -0.106 4.449 4.556 -0.002 0.000 0.299 383 H C 1.955 177.150 175.328 -0.221 0.000 1.097 383 H CA 1.242 57.153 56.048 -0.229 0.000 1.311 383 H CB -0.213 29.282 29.762 -0.445 0.000 1.377 383 H HN 0.070 8.350 8.280 -0.000 0.000 0.504 384 L N 0.170 121.271 121.223 -0.203 0.000 2.056 384 L HA 0.033 4.372 4.340 -0.002 0.000 0.207 384 L C 2.433 178.907 176.870 -0.661 0.000 1.078 384 L CA 1.889 56.556 54.840 -0.288 0.000 0.749 384 L CB -1.245 40.784 42.059 -0.050 0.000 0.901 384 L HN 0.346 8.576 8.230 -0.000 0.000 0.433 385 A N -0.527 121.817 122.820 -0.793 0.000 1.883 385 A HA -0.263 4.056 4.320 -0.002 0.000 0.217 385 A C 2.187 179.303 177.584 -0.779 0.000 1.186 385 A CA 2.050 53.298 52.037 -1.314 0.000 0.624 385 A CB -0.733 17.905 19.000 -0.604 0.000 0.822 385 A HN 0.612 8.762 8.150 -0.000 0.000 0.444 386 E N -0.412 119.486 120.200 -0.503 0.000 2.077 386 E HA -0.068 4.280 4.350 -0.002 0.000 0.193 386 E C 2.338 178.704 176.600 -0.389 0.000 0.989 386 E CA 0.966 57.119 56.400 -0.412 0.000 0.800 386 E CB -0.314 29.203 29.700 -0.305 0.000 0.746 386 E HN 0.614 8.974 8.360 -0.000 0.000 0.452 387 A N 0.892 123.445 122.820 -0.446 0.000 1.908 387 A HA -0.184 4.134 4.320 -0.002 0.000 0.218 387 A C 2.436 179.843 177.584 -0.295 0.000 1.181 387 A CA 1.622 53.446 52.037 -0.356 0.000 0.627 387 A CB -0.867 17.911 19.000 -0.369 0.000 0.818 387 A HN 0.246 8.396 8.150 -0.000 0.000 0.445 388 V N -0.015 119.659 119.914 -0.400 0.000 2.323 388 V HA -0.174 3.945 4.120 -0.002 0.000 0.244 388 V C 2.217 178.190 176.094 -0.201 0.000 1.041 388 V CA 2.092 64.195 62.300 -0.329 0.000 1.025 388 V CB -0.389 31.133 31.823 -0.502 0.000 0.656 388 V HN 0.559 8.749 8.190 -0.000 0.000 0.451 389 I N 0.785 121.206 120.570 -0.247 0.000 2.394 389 I HA -0.204 3.965 4.170 -0.002 0.000 0.251 389 I C 1.823 177.861 176.117 -0.131 0.000 1.136 389 I CA 2.163 63.367 61.300 -0.160 0.000 1.425 389 I CB -0.451 37.428 38.000 -0.201 0.000 1.079 389 I HN 0.452 8.662 8.210 -0.000 0.000 0.425 390 N N 0.558 119.163 118.700 -0.158 0.000 2.280 390 N HA 0.062 4.800 4.740 -0.002 0.000 0.192 390 N C -0.519 174.938 175.510 -0.089 0.000 1.109 390 N CA -0.104 52.876 53.050 -0.117 0.000 0.855 390 N CB 0.206 38.615 38.487 -0.130 0.000 0.974 390 N HN 0.218 8.598 8.380 -0.000 0.000 0.482 391 N N 1.283 119.930 118.700 -0.088 0.000 2.696 391 N HA -0.155 4.584 4.740 -0.002 0.000 0.256 391 N C -1.416 174.060 175.510 -0.056 0.000 1.031 391 N CA 0.882 53.899 53.050 -0.056 0.000 0.730 391 N CB -0.399 38.069 38.487 -0.031 0.000 0.894 391 N HN 0.188 8.568 8.380 -0.000 0.000 0.544 392 K N -0.378 119.974 120.400 -0.079 0.000 2.443 392 K HA 0.603 4.921 4.320 -0.002 0.000 0.251 392 K C -2.533 174.032 176.600 -0.058 0.000 0.972 392 K CA -1.705 54.543 56.287 -0.065 0.000 0.833 392 K CB 1.589 34.039 32.500 -0.083 0.000 1.317 392 K HN -0.093 8.157 8.250 -0.000 0.000 0.441 393 P HA 0.158 4.578 4.420 -0.000 0.000 0.276 393 P C -0.183 177.138 177.300 0.035 0.000 1.252 393 P CA -0.540 62.568 63.100 0.013 0.000 0.802 393 P CB 0.692 32.409 31.700 0.028 0.000 1.035 394 V N -0.966 119.009 119.914 0.103 0.000 2.716 394 V HA 0.402 4.521 4.120 -0.002 0.000 0.304 394 V C 1.872 178.176 176.094 0.350 0.000 1.053 394 V CA -0.703 61.754 62.300 0.262 0.000 0.984 394 V CB 1.101 33.078 31.823 0.257 0.000 1.021 394 V HN 0.569 8.759 8.190 -0.000 0.000 0.467 395 R N 1.577 122.406 120.500 0.549 0.000 2.193 395 R HA 0.007 4.346 4.340 -0.002 0.000 0.229 395 R C 0.642 177.064 176.300 0.205 0.000 1.110 395 R CA 1.398 57.630 56.100 0.221 0.000 0.988 395 R CB 0.055 30.357 30.300 0.003 0.000 0.871 395 R HN 0.824 9.094 8.270 -0.000 0.000 0.458 396 S N 2.243 118.155 115.700 0.354 0.000 2.078 396 S HA 0.307 4.776 4.470 -0.002 0.000 0.168 396 S C -2.492 172.306 174.600 0.331 0.000 1.542 396 S CA -1.230 57.209 58.200 0.398 0.000 1.223 396 S CB 1.660 65.195 63.200 0.557 0.000 1.152 396 S HN 0.255 8.565 8.310 -0.000 0.000 0.452 397 P HA 0.181 4.601 4.420 -0.000 0.000 0.275 397 P C 1.210 178.644 177.300 0.224 0.000 1.266 397 P CA -0.205 63.025 63.100 0.218 0.000 0.793 397 P CB 0.563 32.365 31.700 0.170 0.000 1.074 398 G N 0.727 109.643 108.800 0.193 0.000 2.442 398 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.219 398 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.219 398 G C 1.243 176.239 174.900 0.160 0.000 1.141 398 G CA 0.747 45.954 45.100 0.177 0.000 0.763 398 G HN 0.473 8.763 8.290 -0.000 0.000 0.554 399 E N 0.107 120.408 120.200 0.167 0.000 2.153 399 E HA -0.049 4.300 4.350 -0.002 0.000 0.194 399 E C 2.237 178.942 176.600 0.175 0.000 0.988 399 E CA 1.215 57.729 56.400 0.191 0.000 0.811 399 E CB -0.085 29.773 29.700 0.264 0.000 0.746 399 E HN 0.577 8.937 8.360 -0.000 0.000 0.466 400 E N 0.005 120.336 120.200 0.218 0.000 2.072 400 E HA -0.067 4.282 4.350 -0.002 0.000 0.190 400 E C 2.088 178.758 176.600 0.117 0.000 0.982 400 E CA 1.512 58.008 56.400 0.161 0.000 0.803 400 E CB -0.666 29.172 29.700 0.230 0.000 0.755 400 E HN 0.204 8.564 8.360 -0.000 0.000 0.453 401 G N 0.628 109.586 108.800 0.264 0.000 2.408 401 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 401 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 401 G C 1.678 176.652 174.900 0.123 0.000 1.150 401 G CA 0.902 46.188 45.100 0.309 0.000 0.776 401 G HN 0.368 8.658 8.290 -0.000 0.000 0.542 402 M N -0.053 119.581 119.600 0.057 0.000 2.159 402 M HA -0.070 4.408 4.480 -0.002 0.000 0.263 402 M C 2.594 178.835 176.300 -0.098 0.000 1.063 402 M CA 2.017 57.308 55.300 -0.015 0.000 1.110 402 M CB -0.042 32.550 32.600 -0.013 0.000 1.374 402 M HN 0.311 8.601 8.290 -0.000 0.000 0.411 403 Q N 0.875 120.553 119.800 -0.205 0.000 2.096 403 Q HA -0.223 4.115 4.340 -0.002 0.000 0.204 403 Q C 1.353 177.291 176.000 -0.102 0.000 0.982 403 Q CA 2.453 58.077 55.803 -0.298 0.000 0.850 403 Q CB -0.403 27.807 28.738 -0.880 0.000 0.901 403 Q HN 0.525 8.795 8.270 -0.000 0.000 0.422 404 D N -0.912 119.447 120.400 -0.069 0.000 2.097 404 D HA -0.124 4.514 4.640 -0.002 0.000 0.195 404 D C 1.901 178.176 176.300 -0.042 0.000 0.989 404 D CA 1.492 55.475 54.000 -0.027 0.000 0.827 404 D CB -0.198 40.637 40.800 0.059 0.000 0.966 404 D HN 0.189 8.559 8.370 -0.000 0.000 0.456 405 V N 1.057 120.955 119.914 -0.026 0.000 2.332 405 V HA -0.229 3.890 4.120 -0.002 0.000 0.248 405 V C 2.503 178.558 176.094 -0.065 0.000 1.055 405 V CA 1.532 63.808 62.300 -0.041 0.000 1.038 405 V CB -0.343 31.469 31.823 -0.019 0.000 0.651 405 V HN 0.162 8.352 8.190 -0.000 0.000 0.450 406 R N -0.510 119.940 120.500 -0.083 0.000 2.075 406 R HA -0.066 4.272 4.340 -0.002 0.000 0.232 406 R C 2.299 178.643 176.300 0.074 0.000 1.126 406 R CA 1.321 57.340 56.100 -0.134 0.000 0.963 406 R CB -0.389 29.670 30.300 -0.402 0.000 0.858 406 R HN 0.428 8.698 8.270 -0.000 0.000 0.435 407 L N 0.342 121.656 121.223 0.153 0.000 2.093 407 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 407 L C 2.354 179.171 176.870 -0.089 0.000 1.085 407 L CA 1.063 55.978 54.840 0.124 0.000 0.755 407 L CB -0.274 41.798 42.059 0.022 0.000 0.904 407 L HN 0.189 8.419 8.230 -0.000 0.000 0.435 408 I N -0.562 119.895 120.570 -0.187 0.000 2.252 408 I HA -0.306 3.862 4.170 -0.002 0.000 0.245 408 I C 2.704 178.608 176.117 -0.354 0.000 1.102 408 I CA 1.179 62.239 61.300 -0.400 0.000 1.385 408 I CB -0.212 37.555 38.000 -0.389 0.000 1.064 408 I HN 0.389 8.599 8.210 -0.000 0.000 0.414 409 Q N 1.129 120.858 119.800 -0.118 0.000 2.084 409 Q HA -0.241 4.098 4.340 -0.002 0.000 0.202 409 Q C 2.308 178.334 176.000 0.044 0.000 0.978 409 Q CA 2.029 57.842 55.803 0.016 0.000 0.844 409 Q CB -0.089 28.656 28.738 0.013 0.000 0.898 409 Q HN 0.542 8.812 8.270 -0.000 0.000 0.426 410 A N 0.590 123.444 122.820 0.056 0.000 1.933 410 A HA -0.138 4.180 4.320 -0.002 0.000 0.218 410 A C 1.955 179.557 177.584 0.031 0.000 1.175 410 A CA 1.146 53.243 52.037 0.099 0.000 0.628 410 A CB -0.532 18.590 19.000 0.202 0.000 0.814 410 A HN 0.485 8.635 8.150 -0.000 0.000 0.444 411 I N -1.915 118.609 120.570 -0.076 0.000 2.286 411 I HA -0.215 3.954 4.170 -0.002 0.000 0.245 411 I C 2.294 178.418 176.117 0.012 0.000 1.104 411 I CA 1.080 62.321 61.300 -0.098 0.000 1.397 411 I CB -0.347 37.465 38.000 -0.313 0.000 1.072 411 I HN 0.330 8.540 8.210 -0.000 0.000 0.417 412 Y N 0.940 121.228 120.300 -0.021 0.000 2.163 412 Y HA -0.248 4.300 4.550 -0.002 0.000 0.288 412 Y C 2.609 178.518 175.900 0.015 0.000 1.136 412 Y CA 1.298 59.393 58.100 -0.010 0.000 1.147 412 Y CB -0.869 37.578 38.460 -0.022 0.000 0.987 412 Y HN 0.246 8.526 8.280 -0.000 0.000 0.509 413 E N -0.009 120.305 120.200 0.189 0.000 2.085 413 E HA -0.222 4.126 4.350 -0.002 0.000 0.194 413 E C 2.271 178.935 176.600 0.106 0.000 0.994 413 E CA 1.260 57.733 56.400 0.122 0.000 0.801 413 E CB -0.188 29.572 29.700 0.099 0.000 0.743 413 E HN 0.364 8.724 8.360 -0.000 0.000 0.453 414 A N 0.804 123.687 122.820 0.104 0.000 1.969 414 A HA 0.012 4.331 4.320 -0.002 0.000 0.218 414 A C 2.318 179.975 177.584 0.123 0.000 1.169 414 A CA 1.497 53.592 52.037 0.096 0.000 0.635 414 A CB -0.536 18.514 19.000 0.083 0.000 0.810 414 A HN 0.422 8.572 8.150 -0.000 0.000 0.445 415 A N -0.259 122.650 122.820 0.149 0.000 1.897 415 A HA -0.074 4.245 4.320 -0.002 0.000 0.215 415 A C 2.235 179.904 177.584 0.143 0.000 1.181 415 A CA 1.457 53.595 52.037 0.169 0.000 0.620 415 A CB -0.443 18.662 19.000 0.174 0.000 0.821 415 A HN 0.527 8.677 8.150 -0.000 0.000 0.443 416 R N -0.146 120.422 120.500 0.113 0.000 2.075 416 R HA -0.127 4.212 4.340 -0.002 0.000 0.232 416 R C 2.162 178.510 176.300 0.081 0.000 1.126 416 R CA 2.169 58.318 56.100 0.082 0.000 0.963 416 R CB -0.405 29.931 30.300 0.060 0.000 0.858 416 R HN 0.616 8.886 8.270 -0.000 0.000 0.435 417 T N -3.760 110.841 114.554 0.080 0.000 3.067 417 T HA 0.168 4.517 4.350 -0.002 0.000 0.257 417 T C 1.321 176.063 174.700 0.070 0.000 1.105 417 T CA 0.558 62.697 62.100 0.066 0.000 1.104 417 T CB 0.401 69.303 68.868 0.057 0.000 0.925 417 T HN 0.438 8.678 8.240 -0.000 0.000 0.498 418 G N 1.577 110.432 108.800 0.091 0.000 2.168 418 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.257 418 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.257 418 G C 0.070 175.006 174.900 0.059 0.000 0.997 418 G CA 0.253 45.405 45.100 0.087 0.000 0.708 418 G HN 0.719 9.009 8.290 -0.000 0.000 0.520 419 R N 0.225 120.760 120.500 0.057 0.000 2.854 419 R HA 0.573 4.912 4.340 -0.002 0.000 0.271 419 R C -2.448 173.877 176.300 0.041 0.000 0.996 419 R CA -1.967 54.157 56.100 0.041 0.000 0.961 419 R CB 2.115 32.435 30.300 0.035 0.000 1.182 419 R HN 0.097 8.367 8.270 -0.000 0.000 0.479 420 P HA 0.095 4.515 4.420 -0.000 0.000 0.275 420 P C -0.792 176.518 177.300 0.016 0.000 1.228 420 P CA -0.185 62.925 63.100 0.017 0.000 0.786 420 P CB 1.058 32.759 31.700 0.001 0.000 0.927 421 V N 3.440 123.359 119.914 0.009 0.000 2.448 421 V HA 0.247 4.365 4.120 -0.002 0.000 0.295 421 V C 0.624 176.702 176.094 -0.027 0.000 1.025 421 V CA -0.854 61.457 62.300 0.017 0.000 0.859 421 V CB 1.407 33.260 31.823 0.050 0.000 0.988 421 V HN 0.626 8.816 8.190 -0.000 0.000 0.431 422 N N 2.950 121.639 118.700 -0.018 0.000 2.470 422 N HA 0.087 4.826 4.740 -0.002 0.000 0.268 422 N C 0.534 175.958 175.510 -0.142 0.000 1.136 422 N CA 0.417 53.422 53.050 -0.074 0.000 0.961 422 N CB 1.656 40.127 38.487 -0.026 0.000 1.067 422 N HN 0.863 9.243 8.380 -0.000 0.000 0.468 423 T N -0.692 113.616 114.554 -0.409 0.000 3.296 423 T HA 0.074 4.423 4.350 -0.002 0.000 0.285 423 T C 0.116 174.144 174.700 -1.120 0.000 1.014 423 T CA -0.577 60.866 62.100 -1.094 0.000 0.920 423 T CB -0.078 68.106 68.868 -1.140 0.000 1.143 423 T HN 0.278 8.518 8.240 -0.000 0.000 0.522 424 D N 2.028 122.135 120.400 -0.488 0.000 2.934 424 D HA 0.149 4.788 4.640 -0.002 0.000 0.237 424 D C 0.305 176.544 176.300 -0.102 0.000 1.158 424 D CA -0.873 52.951 54.000 -0.295 0.000 0.971 424 D CB -0.471 40.244 40.800 -0.142 0.000 1.123 424 D HN 0.753 9.123 8.370 -0.000 0.000 0.467 425 W N 0.452 121.768 121.300 0.027 0.000 3.316 425 W HA 0.423 5.082 4.660 -0.002 0.000 0.327 425 W C 1.123 177.678 176.519 0.060 0.000 1.232 425 W CA -0.482 56.886 57.345 0.038 0.000 1.805 425 W CB -0.676 28.804 29.460 0.033 0.000 1.090 425 W HN 0.174 8.354 8.180 -0.000 0.000 0.654 426 G N 0.812 109.753 108.800 0.235 0.000 2.212 426 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.255 426 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.255 426 G C -0.368 174.687 174.900 0.258 0.000 1.062 426 G CA -0.093 45.120 45.100 0.188 0.000 0.815 426 G HN 0.537 8.827 8.290 -0.000 0.000 0.497 427 Y N 0.439 120.884 120.300 0.241 0.000 2.442 427 Y HA 0.483 5.032 4.550 -0.002 0.000 0.330 427 Y C 0.167 176.139 175.900 0.120 0.000 1.129 427 Y CA -0.442 57.784 58.100 0.210 0.000 1.365 427 Y CB 1.093 39.727 38.460 0.290 0.000 1.233 427 Y HN 0.222 8.502 8.280 -0.000 0.000 0.529 428 V N 8.036 127.569 119.914 -0.635 0.000 2.409 428 V HA 0.326 4.445 4.120 -0.002 0.000 0.291 428 V C -0.350 175.243 176.094 -0.835 0.000 1.020 428 V CA -1.099 60.879 62.300 -0.537 0.000 0.848 428 V CB 1.297 32.975 31.823 -0.242 0.000 0.990 428 V HN 0.629 8.819 8.190 -0.000 0.000 0.430 429 R N 3.516 123.604 120.500 -0.688 0.000 2.387 429 R HA 0.158 4.497 4.340 -0.002 0.000 0.321 429 R C 0.175 176.241 176.300 -0.390 0.000 1.174 429 R CA -0.098 55.630 56.100 -0.621 0.000 1.002 429 R CB -0.106 29.623 30.300 -0.951 0.000 1.028 429 R HN 0.733 9.003 8.270 -0.000 0.000 0.482 430 Q N 3.209 122.846 119.800 -0.271 0.000 2.262 430 Q HA 0.246 4.585 4.340 -0.002 0.000 0.272 430 Q C 0.863 176.785 176.000 -0.129 0.000 1.076 430 Q CA 1.471 57.181 55.803 -0.155 0.000 0.905 430 Q CB 0.397 29.084 28.738 -0.085 0.000 1.182 430 Q HN 0.814 9.084 8.270 -0.000 0.000 0.390 431 G N 2.670 111.402 108.800 -0.113 0.000 2.157 431 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.239 431 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.239 431 G C 0.548 175.380 174.900 -0.114 0.000 0.982 431 G CA 0.033 45.083 45.100 -0.084 0.000 0.650 431 G HN 1.734 10.024 8.290 -0.000 0.000 0.527 432 G N -1.812 106.876 108.800 -0.187 0.000 2.795 432 G HA2 0.139 4.098 3.960 -0.002 0.000 0.664 432 G HA3 0.139 4.098 3.960 -0.002 0.000 0.664 432 G C -0.084 174.632 174.900 -0.305 0.000 1.381 432 G CA -0.004 44.984 45.100 -0.187 0.000 0.853 432 G HN 1.222 9.512 8.290 -0.000 0.000 0.545 433 Y N 0.000 120.243 120.300 -0.095 0.000 2.660 433 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 433 Y CA 0.000 58.007 58.100 -0.155 0.000 1.940 433 Y CB 0.000 38.426 38.460 -0.056 0.000 1.050 433 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758