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 1ujn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQRLEVREPV PYPILVGEGV LKEVPPLAGP AALLFDRRVE GFAQEVAKAL DATA SEQUENCE GVRHLLGLPG GEAAKSLEVY GKVLSWLAEK GLPRNATLLV VGGGTLTDLG DATA SEQUENCE GFVAATYLRG VAYLAFPTTT LAIVDASVGG KTGINLPEGK NLVGAFHFPQ DATA SEQUENCE GVYAELRALK TLPLPTFKEG LVEAFKHGLI AGDEALLKVE DLTPQSPRLE DATA SEQUENCE AFLARAVAVK VRVTEEDPLE KGKRRLLNLG HTLGHALEAQ TRHALPHGMA DATA SEQUENCE VAYGLLYAAL LGRALGGEDL LPPVRRLLLW LSPPPLPPLA FEDLLPYLXX DATA SEQUENCE XXXXXXXSLH WVVPLAPGRL VVRPLPEGLL REAFAAWREE LKGLGLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.328 176.300 0.046 0.000 1.140 1 M CA 0.000 55.335 55.300 0.058 0.000 0.988 1 M CB 0.000 32.639 32.600 0.065 0.000 1.302 2 Q N 3.463 123.289 119.800 0.044 0.000 2.316 2 Q HA 0.583 4.920 4.340 -0.006 0.000 0.264 2 Q C -0.967 175.042 176.000 0.015 0.000 0.987 2 Q CA -0.449 55.370 55.803 0.026 0.000 0.852 2 Q CB 2.758 31.511 28.738 0.024 0.000 1.287 2 Q HN 0.772 9.042 8.270 -0.000 0.000 0.448 3 R N 2.905 123.406 120.500 0.002 0.000 2.360 3 R HA 0.513 4.849 4.340 -0.006 0.000 0.318 3 R C -1.200 175.078 176.300 -0.037 0.000 0.950 3 R CA -0.497 55.594 56.100 -0.015 0.000 0.837 3 R CB 0.641 30.941 30.300 -0.000 0.000 1.165 3 R HN 0.370 8.640 8.270 -0.000 0.000 0.458 4 L N 2.370 123.556 121.223 -0.061 0.000 2.313 4 L HA 0.538 4.874 4.340 -0.006 0.000 0.268 4 L C -0.306 176.492 176.870 -0.121 0.000 1.010 4 L CA -0.499 54.291 54.840 -0.083 0.000 0.814 4 L CB 1.892 43.901 42.059 -0.083 0.000 1.304 4 L HN 0.588 8.818 8.230 -0.000 0.000 0.441 5 E N 0.099 120.210 120.200 -0.147 0.000 2.275 5 E HA 0.536 4.883 4.350 -0.006 0.000 0.270 5 E C -1.557 174.877 176.600 -0.276 0.000 0.882 5 E CA -0.737 55.541 56.400 -0.202 0.000 0.758 5 E CB 2.822 32.436 29.700 -0.143 0.000 1.195 5 E HN 0.158 8.518 8.360 -0.000 0.000 0.419 6 V N 3.841 123.479 119.914 -0.461 0.000 2.427 6 V HA 0.233 4.349 4.120 -0.006 0.000 0.286 6 V C 0.828 176.689 176.094 -0.388 0.000 1.034 6 V CA -0.404 61.587 62.300 -0.514 0.000 0.893 6 V CB 1.337 32.568 31.823 -0.986 0.000 0.982 6 V HN 0.649 8.839 8.190 -0.000 0.000 0.452 7 R N 1.796 122.139 120.500 -0.263 0.000 2.191 7 R HA 0.335 4.672 4.340 -0.006 0.000 0.196 7 R C 0.146 176.335 176.300 -0.186 0.000 0.991 7 R CA 0.289 56.274 56.100 -0.191 0.000 1.075 7 R CB 0.483 30.699 30.300 -0.139 0.000 1.040 7 R HN 0.598 8.868 8.270 -0.000 0.000 0.526 8 E N 0.749 120.830 120.200 -0.198 0.000 2.288 8 E HA 0.264 4.610 4.350 -0.006 0.000 0.268 8 E C -1.960 174.474 176.600 -0.276 0.000 0.885 8 E CA -1.875 54.405 56.400 -0.200 0.000 0.767 8 E CB 2.464 32.082 29.700 -0.137 0.000 1.220 8 E HN -0.114 8.246 8.360 -0.000 0.000 0.427 9 P HA 0.049 4.469 4.420 -0.000 0.000 0.231 9 P C 0.237 177.368 177.300 -0.282 0.000 1.168 9 P CA 0.379 63.313 63.100 -0.276 0.000 0.779 9 P CB 0.705 32.271 31.700 -0.223 0.000 0.844 10 V N 3.126 122.787 119.914 -0.422 0.000 2.577 10 V HA 0.341 4.457 4.120 -0.006 0.000 0.303 10 V C -2.489 173.523 176.094 -0.137 0.000 1.042 10 V CA -2.173 59.984 62.300 -0.238 0.000 0.872 10 V CB 2.568 34.260 31.823 -0.218 0.000 0.998 10 V HN -0.036 8.154 8.190 -0.000 0.000 0.423 11 P HA 0.453 4.873 4.420 -0.000 0.000 0.279 11 P C -1.667 175.672 177.300 0.065 0.000 1.239 11 P CA -0.060 62.992 63.100 -0.080 0.000 0.789 11 P CB 0.904 32.559 31.700 -0.074 0.000 0.933 12 Y N 0.052 120.295 120.300 -0.095 0.000 2.620 12 Y HA 0.611 5.158 4.550 -0.006 0.000 0.331 12 Y C -3.235 172.603 175.900 -0.103 0.000 1.173 12 Y CA -2.721 55.326 58.100 -0.089 0.000 1.076 12 Y CB 0.716 39.117 38.460 -0.098 0.000 1.336 12 Y HN 0.194 8.474 8.280 -0.000 0.000 0.459 13 P HA 0.548 4.968 4.420 -0.000 0.000 0.287 13 P C -0.979 176.250 177.300 -0.119 0.000 1.270 13 P CA -0.288 62.761 63.100 -0.086 0.000 0.844 13 P CB 2.577 34.245 31.700 -0.053 0.000 1.068 14 I N 2.504 122.978 120.570 -0.160 0.000 2.439 14 I HA 0.281 4.447 4.170 -0.006 0.000 0.285 14 I C -0.238 175.779 176.117 -0.168 0.000 1.021 14 I CA -0.831 60.367 61.300 -0.170 0.000 1.091 14 I CB 1.597 39.553 38.000 -0.073 0.000 1.242 14 I HN 0.066 8.276 8.210 -0.000 0.000 0.439 15 L N 7.207 128.286 121.223 -0.239 0.000 2.317 15 L HA 0.622 4.959 4.340 -0.006 0.000 0.281 15 L C -0.368 176.502 176.870 -0.000 0.000 1.024 15 L CA -0.757 54.036 54.840 -0.077 0.000 0.810 15 L CB 1.876 43.944 42.059 0.016 0.000 1.240 15 L HN 0.238 8.468 8.230 -0.000 0.000 0.427 16 V N 2.170 122.107 119.914 0.039 0.000 2.482 16 V HA 0.939 5.055 4.120 -0.006 0.000 0.295 16 V C 0.267 176.408 176.094 0.079 0.000 1.026 16 V CA -0.314 62.025 62.300 0.065 0.000 0.856 16 V CB 1.440 33.297 31.823 0.056 0.000 1.001 16 V HN 1.056 9.246 8.190 -0.000 0.000 0.424 17 G N 4.108 112.964 108.800 0.094 0.000 2.344 17 G HA2 0.324 4.280 3.960 -0.006 0.000 0.282 17 G HA3 0.324 4.280 3.960 -0.006 0.000 0.282 17 G C -1.650 173.303 174.900 0.087 0.000 1.281 17 G CA -0.750 44.402 45.100 0.086 0.000 0.877 17 G HN 0.508 8.798 8.290 -0.000 0.000 0.494 18 E N 0.116 120.362 120.200 0.076 0.000 2.134 18 E HA 0.493 4.840 4.350 -0.006 0.000 0.278 18 E C 0.497 177.149 176.600 0.086 0.000 0.959 18 E CA 0.103 56.545 56.400 0.070 0.000 0.783 18 E CB 1.436 31.166 29.700 0.050 0.000 1.095 18 E HN 1.941 10.301 8.360 -0.000 0.000 0.399 19 G N 1.993 110.858 108.800 0.109 0.000 2.167 19 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.194 19 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.194 19 G C 0.760 175.752 174.900 0.154 0.000 1.027 19 G CA 0.139 45.311 45.100 0.120 0.000 0.717 19 G HN 0.539 8.829 8.290 -0.000 0.000 0.501 20 V N -1.870 118.170 119.914 0.210 0.000 2.626 20 V HA 0.044 4.161 4.120 -0.006 0.000 0.252 20 V C 2.599 178.847 176.094 0.256 0.000 1.067 20 V CA 1.978 64.446 62.300 0.279 0.000 1.081 20 V CB -0.566 31.484 31.823 0.378 0.000 0.686 20 V HN 0.439 8.629 8.190 -0.000 0.000 0.468 21 L N 1.130 122.490 121.223 0.229 0.000 2.127 21 L HA -0.198 4.139 4.340 -0.006 0.000 0.211 21 L C 2.891 179.789 176.870 0.047 0.000 1.089 21 L CA 2.454 57.370 54.840 0.128 0.000 0.757 21 L CB -0.620 41.500 42.059 0.102 0.000 0.899 21 L HN 0.555 8.785 8.230 -0.000 0.000 0.434 22 K N -0.614 119.829 120.400 0.072 0.000 2.283 22 K HA -0.154 4.162 4.320 -0.006 0.000 0.202 22 K C 1.302 177.932 176.600 0.049 0.000 1.048 22 K CA 1.097 57.414 56.287 0.050 0.000 0.948 22 K CB -0.027 32.508 32.500 0.059 0.000 0.742 22 K HN 0.223 8.473 8.250 -0.000 0.000 0.458 23 E N 1.201 121.448 120.200 0.078 0.000 2.479 23 E HA 0.056 4.403 4.350 -0.006 0.000 0.193 23 E C -0.047 176.587 176.600 0.057 0.000 1.049 23 E CA 0.066 56.537 56.400 0.118 0.000 0.870 23 E CB 0.439 30.279 29.700 0.234 0.000 0.944 23 E HN 0.098 8.458 8.360 -0.000 0.000 0.492 24 V N 3.755 123.574 119.914 -0.158 0.000 2.508 24 V HA 0.107 4.223 4.120 -0.006 0.000 0.281 24 V C -2.100 173.938 176.094 -0.094 0.000 1.041 24 V CA -1.408 60.684 62.300 -0.348 0.000 1.016 24 V CB 0.530 32.082 31.823 -0.452 0.000 0.984 24 V HN -0.025 8.165 8.190 -0.000 0.000 0.478 25 P HA 0.234 4.654 4.420 -0.000 0.000 0.268 25 P C -2.507 174.795 177.300 0.003 0.000 1.204 25 P CA -0.931 62.178 63.100 0.017 0.000 0.768 25 P CB -0.128 31.601 31.700 0.049 0.000 0.842 26 P HA 0.019 4.439 4.420 -0.000 0.000 0.265 26 P C -0.285 177.025 177.300 0.015 0.000 1.187 26 P CA 0.249 63.352 63.100 0.004 0.000 0.766 26 P CB 0.311 32.014 31.700 0.005 0.000 0.820 27 L N 1.836 123.069 121.223 0.016 0.000 2.490 27 L HA 0.130 4.467 4.340 -0.006 0.000 0.274 27 L C 1.355 178.241 176.870 0.027 0.000 1.201 27 L CA 0.035 54.892 54.840 0.029 0.000 0.869 27 L CB 0.185 42.263 42.059 0.031 0.000 1.123 27 L HN 0.454 8.684 8.230 -0.000 0.000 0.484 28 A N 2.420 125.261 122.820 0.035 0.000 2.387 28 A HA 0.554 4.871 4.320 -0.006 0.000 0.234 28 A C 0.698 178.302 177.584 0.033 0.000 1.253 28 A CA 0.541 52.596 52.037 0.031 0.000 0.894 28 A CB 0.025 19.045 19.000 0.033 0.000 0.963 28 A HN 0.859 9.009 8.150 -0.000 0.000 0.508 29 G N -0.837 107.985 108.800 0.038 0.000 2.619 29 G HA2 0.532 4.488 3.960 -0.006 0.000 0.305 29 G HA3 0.532 4.488 3.960 -0.006 0.000 0.305 29 G C -3.333 171.594 174.900 0.044 0.000 1.330 29 G CA -0.887 44.236 45.100 0.040 0.000 0.789 29 G HN -0.013 8.277 8.290 -0.000 0.000 0.487 30 P HA 0.523 4.943 4.420 -0.000 0.000 0.271 30 P C -0.268 177.075 177.300 0.072 0.000 1.233 30 P CA 0.200 63.335 63.100 0.058 0.000 0.789 30 P CB 1.149 32.885 31.700 0.060 0.000 0.951 31 A N -0.170 122.702 122.820 0.086 0.000 2.610 31 A HA 0.805 5.121 4.320 -0.006 0.000 0.291 31 A C -1.716 175.947 177.584 0.131 0.000 1.086 31 A CA -0.173 51.923 52.037 0.098 0.000 0.677 31 A CB 1.340 20.388 19.000 0.081 0.000 1.278 31 A HN 0.600 8.750 8.150 -0.000 0.000 0.414 32 A N -0.089 122.816 122.820 0.141 0.000 2.572 32 A HA 0.813 5.129 4.320 -0.006 0.000 0.295 32 A C -1.664 176.080 177.584 0.267 0.000 1.072 32 A CA -0.345 51.821 52.037 0.215 0.000 0.691 32 A CB 1.378 20.430 19.000 0.088 0.000 1.291 32 A HN 1.915 10.065 8.150 -0.000 0.000 0.404 33 L N 1.676 123.112 121.223 0.354 0.000 2.381 33 L HA 0.754 5.091 4.340 -0.006 0.000 0.274 33 L C -1.762 175.285 176.870 0.295 0.000 0.988 33 L CA -0.897 54.104 54.840 0.268 0.000 0.824 33 L CB 1.600 43.746 42.059 0.145 0.000 1.263 33 L HN 0.764 8.994 8.230 -0.000 0.000 0.410 34 L N 5.818 127.171 121.223 0.216 0.000 2.307 34 L HA 0.705 5.042 4.340 -0.006 0.000 0.284 34 L C -1.035 175.933 176.870 0.163 0.000 1.023 34 L CA -0.117 54.762 54.840 0.065 0.000 0.810 34 L CB 1.376 43.453 42.059 0.030 0.000 1.231 34 L HN 0.531 8.761 8.230 -0.000 0.000 0.423 35 F N 1.436 121.359 119.950 -0.044 0.000 2.626 35 F HA 0.527 5.051 4.527 -0.006 0.000 0.311 35 F C -0.813 174.981 175.800 -0.010 0.000 1.088 35 F CA -1.185 56.811 58.000 -0.007 0.000 0.949 35 F CB 0.922 39.909 39.000 -0.021 0.000 1.322 35 F HN 0.451 8.751 8.300 -0.000 0.000 0.461 36 D N 2.015 122.533 120.400 0.197 0.000 2.343 36 D HA 0.201 4.837 4.640 -0.006 0.000 0.255 36 D C 1.004 177.445 176.300 0.236 0.000 1.187 36 D CA -0.017 54.046 54.000 0.105 0.000 0.875 36 D CB 1.282 42.163 40.800 0.134 0.000 1.136 36 D HN 0.740 9.110 8.370 -0.000 0.000 0.469 37 R N 2.917 123.471 120.500 0.091 0.000 2.154 37 R HA -0.170 4.166 4.340 -0.006 0.000 0.248 37 R C 2.028 178.450 176.300 0.202 0.000 1.155 37 R CA 1.097 57.315 56.100 0.196 0.000 0.979 37 R CB 0.011 30.346 30.300 0.058 0.000 0.869 37 R HN 0.454 8.724 8.270 -0.000 0.000 0.452 38 R N 0.547 121.134 120.500 0.144 0.000 2.159 38 R HA -0.095 4.242 4.340 -0.006 0.000 0.237 38 R C 1.316 177.696 176.300 0.133 0.000 1.131 38 R CA 1.544 57.714 56.100 0.117 0.000 0.982 38 R CB 0.066 30.424 30.300 0.096 0.000 0.868 38 R HN 0.215 8.485 8.270 -0.000 0.000 0.453 39 V N -2.452 117.572 119.914 0.184 0.000 2.854 39 V HA 0.195 4.311 4.120 -0.006 0.000 0.366 39 V C 1.068 177.231 176.094 0.114 0.000 1.322 39 V CA -0.335 62.070 62.300 0.174 0.000 1.243 39 V CB 0.723 32.686 31.823 0.233 0.000 1.337 39 V HN 0.102 8.292 8.190 -0.000 0.000 0.585 40 E N 2.202 122.442 120.200 0.066 0.000 2.118 40 E HA -0.134 4.212 4.350 -0.006 0.000 0.195 40 E C 2.101 178.568 176.600 -0.222 0.000 0.992 40 E CA 1.997 58.268 56.400 -0.215 0.000 0.804 40 E CB -0.343 29.327 29.700 -0.050 0.000 0.741 40 E HN 0.709 9.069 8.360 -0.000 0.000 0.458 41 G N 0.623 109.390 108.800 -0.055 0.000 2.491 41 G HA2 -0.322 3.634 3.960 -0.006 0.000 0.218 41 G HA3 -0.322 3.634 3.960 -0.006 0.000 0.218 41 G C 1.334 176.235 174.900 0.001 0.000 1.180 41 G CA 0.896 45.981 45.100 -0.025 0.000 0.774 41 G HN 0.404 8.694 8.290 -0.000 0.000 0.562 42 F N 2.560 122.449 119.950 -0.102 0.000 2.186 42 F HA 0.193 4.717 4.527 -0.006 0.000 0.299 42 F C 2.729 178.426 175.800 -0.172 0.000 1.090 42 F CA 0.791 58.734 58.000 -0.094 0.000 1.307 42 F CB -0.506 38.475 39.000 -0.032 0.000 1.019 42 F HN 0.237 8.537 8.300 -0.000 0.000 0.489 43 A N 0.208 122.816 122.820 -0.353 0.000 1.908 43 A HA -0.213 4.104 4.320 -0.006 0.000 0.218 43 A C 2.143 179.400 177.584 -0.546 0.000 1.181 43 A CA 1.707 53.403 52.037 -0.568 0.000 0.627 43 A CB -0.735 17.794 19.000 -0.785 0.000 0.818 43 A HN 0.489 8.639 8.150 -0.000 0.000 0.445 44 Q N -0.664 118.868 119.800 -0.446 0.000 2.167 44 Q HA -0.177 4.160 4.340 -0.006 0.000 0.202 44 Q C 1.935 177.778 176.000 -0.261 0.000 0.970 44 Q CA 1.545 57.157 55.803 -0.318 0.000 0.855 44 Q CB -0.298 28.301 28.738 -0.232 0.000 0.911 44 Q HN 0.918 9.188 8.270 -0.000 0.000 0.438 45 E N 0.306 120.348 120.200 -0.264 0.000 2.072 45 E HA -0.118 4.229 4.350 -0.006 0.000 0.191 45 E C 2.024 178.438 176.600 -0.310 0.000 0.985 45 E CA 0.829 57.105 56.400 -0.206 0.000 0.801 45 E CB 0.282 29.932 29.700 -0.083 0.000 0.750 45 E HN 0.071 8.431 8.360 -0.000 0.000 0.452 46 V N 1.396 120.976 119.914 -0.557 0.000 2.295 46 V HA -0.279 3.838 4.120 -0.006 0.000 0.246 46 V C 2.494 178.346 176.094 -0.404 0.000 1.049 46 V CA 1.866 63.787 62.300 -0.633 0.000 1.024 46 V CB -0.821 30.367 31.823 -1.059 0.000 0.648 46 V HN 0.450 8.640 8.190 -0.000 0.000 0.447 47 A N -0.348 122.265 122.820 -0.345 0.000 1.883 47 A HA -0.295 4.022 4.320 -0.006 0.000 0.217 47 A C 2.348 179.835 177.584 -0.162 0.000 1.186 47 A CA 2.354 54.261 52.037 -0.217 0.000 0.624 47 A CB -0.527 18.363 19.000 -0.184 0.000 0.822 47 A HN 0.517 8.667 8.150 -0.000 0.000 0.444 48 K N -0.533 119.772 120.400 -0.158 0.000 2.057 48 K HA -0.071 4.245 4.320 -0.006 0.000 0.207 48 K C 2.169 178.712 176.600 -0.096 0.000 1.049 48 K CA 1.154 57.374 56.287 -0.111 0.000 0.931 48 K CB -0.311 32.131 32.500 -0.097 0.000 0.714 48 K HN 0.386 8.636 8.250 -0.000 0.000 0.440 49 A N 0.773 123.525 122.820 -0.113 0.000 1.933 49 A HA -0.094 4.223 4.320 -0.006 0.000 0.218 49 A C 1.853 179.392 177.584 -0.076 0.000 1.175 49 A CA 1.247 53.233 52.037 -0.085 0.000 0.628 49 A CB -0.328 18.619 19.000 -0.089 0.000 0.814 49 A HN 0.323 8.473 8.150 -0.000 0.000 0.444 50 L N -1.520 119.645 121.223 -0.096 0.000 2.607 50 L HA 0.282 4.618 4.340 -0.006 0.000 0.228 50 L C 1.424 178.260 176.870 -0.056 0.000 1.123 50 L CA 0.412 55.210 54.840 -0.069 0.000 0.890 50 L CB 0.034 42.050 42.059 -0.072 0.000 1.103 50 L HN 0.545 8.775 8.230 -0.000 0.000 0.468 51 G N 0.861 109.621 108.800 -0.067 0.000 2.160 51 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.244 51 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.244 51 G C 0.052 174.909 174.900 -0.071 0.000 1.022 51 G CA 0.002 45.065 45.100 -0.062 0.000 0.741 51 G HN 0.099 8.389 8.290 -0.000 0.000 0.508 52 V N 0.839 120.706 119.914 -0.078 0.000 2.461 52 V HA 0.433 4.550 4.120 -0.006 0.000 0.275 52 V C 1.413 177.442 176.094 -0.108 0.000 1.047 52 V CA -0.412 61.844 62.300 -0.073 0.000 0.955 52 V CB 1.457 33.256 31.823 -0.040 0.000 0.988 52 V HN 0.332 8.522 8.190 -0.000 0.000 0.471 53 R N 1.563 121.940 120.500 -0.205 0.000 2.307 53 R HA 0.182 4.518 4.340 -0.006 0.000 0.200 53 R C 0.140 176.284 176.300 -0.260 0.000 0.893 53 R CA 0.225 56.157 56.100 -0.280 0.000 1.042 53 R CB 0.166 30.220 30.300 -0.410 0.000 1.059 53 R HN 0.685 8.955 8.270 -0.000 0.000 0.530 54 H N 0.821 119.937 119.070 0.077 0.000 2.597 54 H HA 0.398 4.951 4.556 -0.005 0.000 0.303 54 H C -0.459 175.110 175.328 0.402 0.000 1.057 54 H CA -0.666 55.485 56.048 0.171 0.000 1.261 54 H CB 1.071 30.795 29.762 -0.063 0.000 1.397 54 H HN -0.179 8.101 8.280 -0.000 0.000 0.461 55 L N 3.767 125.338 121.223 0.580 0.000 2.381 55 L HA 0.368 4.704 4.340 -0.006 0.000 0.268 55 L C -0.698 176.307 176.870 0.224 0.000 0.997 55 L CA -0.644 54.473 54.840 0.461 0.000 0.818 55 L CB 2.326 44.583 42.059 0.330 0.000 1.310 55 L HN 0.352 8.582 8.230 -0.000 0.000 0.416 56 L N 1.625 122.715 121.223 -0.223 0.000 2.439 56 L HA 0.888 5.224 4.340 -0.006 0.000 0.270 56 L C -0.157 176.147 176.870 -0.943 0.000 0.972 56 L CA -0.008 54.355 54.840 -0.795 0.000 0.836 56 L CB 1.813 42.810 42.059 -1.771 0.000 1.255 56 L HN 0.581 8.811 8.230 -0.000 0.000 0.404 57 G N 5.315 113.463 108.800 -1.086 0.000 2.367 57 G HA2 0.662 4.618 3.960 -0.006 0.000 0.314 57 G HA3 0.662 4.618 3.960 -0.006 0.000 0.314 57 G C -1.266 173.177 174.900 -0.762 0.000 1.130 57 G CA -0.488 43.643 45.100 -1.614 0.000 0.864 57 G HN 0.620 8.910 8.290 -0.000 0.000 0.486 58 L N 1.747 122.612 121.223 -0.597 0.000 2.393 58 L HA 0.415 4.751 4.340 -0.006 0.000 0.260 58 L C -2.561 174.196 176.870 -0.188 0.000 1.002 58 L CA -2.187 52.462 54.840 -0.318 0.000 0.818 58 L CB 3.180 45.083 42.059 -0.260 0.000 1.369 58 L HN 0.292 8.522 8.230 -0.000 0.000 0.412 59 P HA 0.165 4.585 4.420 -0.000 0.000 0.280 59 P C -0.158 177.116 177.300 -0.043 0.000 1.244 59 P CA -0.096 62.966 63.100 -0.062 0.000 0.784 59 P CB 1.023 32.693 31.700 -0.050 0.000 0.913 60 G N 1.551 110.343 108.800 -0.012 0.000 2.553 60 G HA2 0.533 4.489 3.960 -0.006 0.000 0.278 60 G HA3 0.533 4.489 3.960 -0.006 0.000 0.278 60 G C 0.108 175.008 174.900 -0.000 0.000 1.349 60 G CA -0.021 45.081 45.100 0.004 0.000 1.037 60 G HN 0.822 9.112 8.290 -0.000 0.000 0.508 61 G N -1.951 106.853 108.800 0.007 0.000 2.661 61 G HA2 -0.119 3.837 3.960 -0.006 0.000 0.685 61 G HA3 -0.119 3.837 3.960 -0.006 0.000 0.685 61 G C 0.513 175.404 174.900 -0.015 0.000 1.298 61 G CA 0.307 45.407 45.100 -0.000 0.000 0.855 61 G HN 0.528 8.818 8.290 -0.000 0.000 0.560 62 E N -0.220 119.965 120.200 -0.025 0.000 2.204 62 E HA -0.103 4.244 4.350 -0.006 0.000 0.195 62 E C 2.823 179.395 176.600 -0.046 0.000 0.990 62 E CA 1.638 58.010 56.400 -0.047 0.000 0.821 62 E CB -0.429 29.229 29.700 -0.072 0.000 0.750 62 E HN 1.011 9.371 8.360 -0.000 0.000 0.477 63 A N 1.254 124.053 122.820 -0.034 0.000 2.070 63 A HA -0.051 4.265 4.320 -0.006 0.000 0.220 63 A C 2.344 179.912 177.584 -0.028 0.000 1.159 63 A CA 1.561 53.580 52.037 -0.030 0.000 0.656 63 A CB -0.314 18.671 19.000 -0.025 0.000 0.800 63 A HN 0.249 8.399 8.150 -0.000 0.000 0.453 64 A N -0.425 122.378 122.820 -0.028 0.000 2.066 64 A HA 0.009 4.325 4.320 -0.006 0.000 0.218 64 A C 1.372 178.950 177.584 -0.010 0.000 1.157 64 A CA 0.874 52.897 52.037 -0.023 0.000 0.670 64 A CB -0.184 18.800 19.000 -0.026 0.000 0.804 64 A HN 0.436 8.586 8.150 -0.000 0.000 0.453 65 K N 1.579 121.965 120.400 -0.025 0.000 2.518 65 K HA 0.235 4.552 4.320 -0.006 0.000 0.244 65 K C -0.442 176.134 176.600 -0.041 0.000 1.232 65 K CA 0.100 56.365 56.287 -0.036 0.000 1.189 65 K CB 0.101 32.559 32.500 -0.070 0.000 1.737 65 K HN 0.501 8.751 8.250 -0.000 0.000 0.333 66 S N -0.954 114.745 115.700 -0.002 0.000 2.627 66 S HA 0.361 4.828 4.470 -0.006 0.000 0.283 66 S C 0.801 175.441 174.600 0.066 0.000 1.127 66 S CA -0.974 57.230 58.200 0.005 0.000 0.863 66 S CB 1.037 64.239 63.200 0.004 0.000 1.121 66 S HN 0.268 8.578 8.310 -0.000 0.000 0.479 67 L N 0.493 121.755 121.223 0.064 0.000 2.131 67 L HA -0.035 4.301 4.340 -0.006 0.000 0.210 67 L C 2.792 179.763 176.870 0.169 0.000 1.092 67 L CA 1.695 56.622 54.840 0.146 0.000 0.759 67 L CB -0.464 41.654 42.059 0.098 0.000 0.903 67 L HN 0.864 9.094 8.230 -0.000 0.000 0.435 68 E N 0.177 120.431 120.200 0.090 0.000 2.047 68 E HA -0.162 4.185 4.350 -0.006 0.000 0.191 68 E C 2.074 178.707 176.600 0.056 0.000 0.987 68 E CA 1.423 57.859 56.400 0.060 0.000 0.799 68 E CB -0.161 29.555 29.700 0.027 0.000 0.752 68 E HN 0.198 8.558 8.360 -0.000 0.000 0.449 69 V N 0.586 120.535 119.914 0.059 0.000 2.427 69 V HA -0.206 3.910 4.120 -0.006 0.000 0.248 69 V C 2.120 178.262 176.094 0.080 0.000 1.051 69 V CA 1.828 64.150 62.300 0.036 0.000 1.048 69 V CB -0.793 31.040 31.823 0.017 0.000 0.666 69 V HN 0.373 8.562 8.190 -0.000 0.000 0.456 70 Y N 2.240 122.545 120.300 0.009 0.000 2.128 70 Y HA -0.147 4.399 4.550 -0.006 0.000 0.284 70 Y C 2.352 178.256 175.900 0.006 0.000 1.154 70 Y CA 1.749 59.865 58.100 0.026 0.000 1.149 70 Y CB -0.950 37.564 38.460 0.089 0.000 0.976 70 Y HN 0.183 8.463 8.280 -0.000 0.000 0.505 71 G N -0.010 108.763 108.800 -0.045 0.000 2.422 71 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.218 71 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.218 71 G C 1.746 176.583 174.900 -0.106 0.000 1.146 71 G CA 0.924 45.937 45.100 -0.145 0.000 0.769 71 G HN 0.432 8.722 8.290 -0.000 0.000 0.547 72 K N 0.002 120.372 120.400 -0.049 0.000 2.026 72 K HA -0.045 4.271 4.320 -0.006 0.000 0.208 72 K C 2.581 179.169 176.600 -0.020 0.000 1.048 72 K CA 1.308 57.575 56.287 -0.033 0.000 0.929 72 K CB -0.224 32.250 32.500 -0.043 0.000 0.713 72 K HN 0.183 8.433 8.250 -0.000 0.000 0.439 73 V N 1.732 121.616 119.914 -0.050 0.000 2.343 73 V HA -0.251 3.865 4.120 -0.006 0.000 0.247 73 V C 2.316 178.406 176.094 -0.006 0.000 1.051 73 V CA 1.569 63.865 62.300 -0.005 0.000 1.036 73 V CB -0.405 31.396 31.823 -0.036 0.000 0.654 73 V HN 0.309 8.499 8.190 -0.000 0.000 0.451 74 L N -0.168 120.961 121.223 -0.157 0.000 2.012 74 L HA -0.173 4.164 4.340 -0.006 0.000 0.210 74 L C 2.631 179.448 176.870 -0.089 0.000 1.073 74 L CA 1.795 56.523 54.840 -0.186 0.000 0.748 74 L CB -0.639 41.239 42.059 -0.302 0.000 0.891 74 L HN 0.276 8.506 8.230 -0.000 0.000 0.431 75 S N -1.341 114.331 115.700 -0.046 0.000 2.402 75 S HA -0.211 4.255 4.470 -0.006 0.000 0.229 75 S C 1.491 176.100 174.600 0.015 0.000 1.021 75 S CA 1.045 59.240 58.200 -0.009 0.000 0.974 75 S CB -0.365 62.834 63.200 -0.001 0.000 0.800 75 S HN 0.544 8.854 8.310 -0.000 0.000 0.484 76 W N 2.407 123.621 121.300 -0.144 0.000 2.358 76 W HA -0.032 4.625 4.660 -0.005 0.000 0.303 76 W C 1.554 177.957 176.519 -0.193 0.000 1.208 76 W CA 0.973 58.231 57.345 -0.145 0.000 1.274 76 W CB -0.539 28.838 29.460 -0.138 0.000 1.138 76 W HN 0.188 8.368 8.180 -0.000 0.000 0.515 77 L N 0.465 121.484 121.223 -0.340 0.000 2.027 77 L HA -0.169 4.168 4.340 -0.006 0.000 0.206 77 L C 2.744 179.357 176.870 -0.429 0.000 1.074 77 L CA 1.447 55.893 54.840 -0.657 0.000 0.745 77 L CB -1.540 39.928 42.059 -0.985 0.000 0.898 77 L HN 0.076 8.306 8.230 -0.000 0.000 0.433 78 A N 0.098 122.815 122.820 -0.172 0.000 1.883 78 A HA -0.291 4.026 4.320 -0.006 0.000 0.217 78 A C 2.268 179.794 177.584 -0.097 0.000 1.186 78 A CA 2.009 54.056 52.037 0.016 0.000 0.624 78 A CB -0.662 18.377 19.000 0.066 0.000 0.822 78 A HN 0.514 8.664 8.150 -0.000 0.000 0.444 79 E N -0.209 119.900 120.200 -0.152 0.000 2.130 79 E HA -0.270 4.077 4.350 -0.006 0.000 0.196 79 E C 1.688 178.152 176.600 -0.226 0.000 0.998 79 E CA 1.723 58.029 56.400 -0.157 0.000 0.806 79 E CB -0.109 29.509 29.700 -0.137 0.000 0.738 79 E HN 0.544 8.904 8.360 -0.000 0.000 0.459 80 K N -0.947 119.221 120.400 -0.387 0.000 2.486 80 K HA 0.068 4.384 4.320 -0.006 0.000 0.194 80 K C 0.886 177.311 176.600 -0.292 0.000 1.033 80 K CA 0.624 56.635 56.287 -0.461 0.000 1.004 80 K CB 0.358 32.332 32.500 -0.877 0.000 0.798 80 K HN 0.348 8.598 8.250 -0.000 0.000 0.495 81 G N 1.228 109.916 108.800 -0.188 0.000 2.176 81 G HA2 -0.272 3.684 3.960 -0.006 0.000 0.252 81 G HA3 -0.272 3.684 3.960 -0.006 0.000 0.252 81 G C -0.177 174.692 174.900 -0.052 0.000 1.024 81 G CA -0.227 44.821 45.100 -0.087 0.000 0.755 81 G HN 0.188 8.478 8.290 -0.000 0.000 0.507 82 L N 1.864 123.048 121.223 -0.064 0.000 2.513 82 L HA 0.240 4.576 4.340 -0.006 0.000 0.272 82 L C -0.594 176.361 176.870 0.141 0.000 1.187 82 L CA -1.227 53.619 54.840 0.010 0.000 0.895 82 L CB 0.440 42.460 42.059 -0.064 0.000 1.147 82 L HN 0.149 8.379 8.230 -0.000 0.000 0.483 83 P HA 0.129 4.549 4.420 -0.000 0.000 0.282 83 P C 0.113 177.454 177.300 0.068 0.000 1.287 83 P CA -0.676 62.454 63.100 0.049 0.000 0.792 83 P CB 0.809 32.524 31.700 0.025 0.000 1.163 84 R N 0.540 121.046 120.500 0.011 0.000 2.193 84 R HA -0.095 4.242 4.340 -0.006 0.000 0.229 84 R C 1.443 177.777 176.300 0.058 0.000 1.110 84 R CA 1.236 57.343 56.100 0.012 0.000 0.988 84 R CB -0.336 29.952 30.300 -0.021 0.000 0.871 84 R HN 0.517 8.787 8.270 -0.000 0.000 0.458 85 N N -0.216 118.518 118.700 0.057 0.000 2.314 85 N HA 0.024 4.760 4.740 -0.006 0.000 0.200 85 N C -0.335 175.224 175.510 0.082 0.000 1.135 85 N CA 0.159 53.248 53.050 0.065 0.000 0.835 85 N CB 0.346 38.862 38.487 0.048 0.000 0.989 85 N HN 0.034 8.414 8.380 -0.000 0.000 0.478 86 A N 0.262 123.144 122.820 0.102 0.000 2.332 86 A HA 0.557 4.874 4.320 -0.006 0.000 0.258 86 A C -0.042 177.622 177.584 0.133 0.000 1.087 86 A CA -0.037 52.066 52.037 0.110 0.000 0.802 86 A CB 0.278 19.347 19.000 0.116 0.000 1.042 86 A HN 0.247 8.397 8.150 -0.000 0.000 0.489 87 T N 1.256 115.887 114.554 0.129 0.000 2.824 87 T HA 0.476 4.823 4.350 -0.006 0.000 0.282 87 T C -0.870 173.935 174.700 0.174 0.000 0.993 87 T CA -0.236 61.959 62.100 0.158 0.000 0.967 87 T CB 1.088 70.040 68.868 0.140 0.000 0.960 87 T HN 0.544 8.784 8.240 -0.000 0.000 0.441 88 L N 4.421 125.778 121.223 0.223 0.000 2.272 88 L HA 0.614 4.950 4.340 -0.006 0.000 0.289 88 L C -1.430 175.618 176.870 0.296 0.000 1.032 88 L CA -0.569 54.408 54.840 0.229 0.000 0.810 88 L CB 0.418 42.599 42.059 0.205 0.000 1.205 88 L HN 0.464 8.694 8.230 -0.000 0.000 0.422 89 L N 6.038 127.427 121.223 0.278 0.000 2.289 89 L HA 0.577 4.913 4.340 -0.006 0.000 0.285 89 L C -0.531 176.543 176.870 0.339 0.000 1.049 89 L CA -0.203 54.849 54.840 0.354 0.000 0.804 89 L CB 1.776 43.988 42.059 0.255 0.000 1.195 89 L HN 0.318 8.548 8.230 -0.000 0.000 0.428 90 V N 4.031 124.210 119.914 0.441 0.000 2.407 90 V HA 0.497 4.613 4.120 -0.006 0.000 0.291 90 V C -0.437 175.906 176.094 0.416 0.000 1.018 90 V CA -0.701 61.812 62.300 0.355 0.000 0.842 90 V CB 1.881 33.889 31.823 0.308 0.000 0.996 90 V HN 0.404 8.594 8.190 -0.000 0.000 0.426 91 V N 4.364 124.470 119.914 0.320 0.000 2.350 91 V HA 1.003 5.119 4.120 -0.006 0.000 0.285 91 V C 0.602 176.877 176.094 0.303 0.000 1.014 91 V CA 0.467 62.966 62.300 0.331 0.000 0.831 91 V CB 0.764 32.688 31.823 0.169 0.000 1.000 91 V HN 1.185 9.375 8.190 -0.000 0.000 0.433 92 G N 3.250 112.227 108.800 0.296 0.000 2.344 92 G HA2 0.521 4.477 3.960 -0.006 0.000 0.282 92 G HA3 0.521 4.477 3.960 -0.006 0.000 0.282 92 G C -0.219 174.797 174.900 0.193 0.000 1.281 92 G CA 0.007 45.242 45.100 0.226 0.000 0.877 92 G HN 0.923 9.213 8.290 -0.000 0.000 0.494 93 G N -1.175 107.713 108.800 0.145 0.000 2.531 93 G HA2 0.550 4.506 3.960 -0.006 0.000 0.281 93 G HA3 0.550 4.506 3.960 -0.006 0.000 0.281 93 G C 1.474 176.437 174.900 0.105 0.000 1.382 93 G CA 0.578 45.752 45.100 0.123 0.000 1.045 93 G HN 1.699 9.989 8.290 -0.000 0.000 0.533 94 G N -0.828 108.022 108.800 0.084 0.000 2.469 94 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.219 94 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.219 94 G C 1.903 176.826 174.900 0.038 0.000 1.150 94 G CA 2.481 47.618 45.100 0.061 0.000 0.763 94 G HN 0.927 9.217 8.290 -0.000 0.000 0.561 95 T N -0.831 113.741 114.554 0.030 0.000 2.821 95 T HA 0.048 4.395 4.350 -0.006 0.000 0.267 95 T C 2.241 176.955 174.700 0.022 0.000 1.046 95 T CA 0.827 62.933 62.100 0.010 0.000 1.139 95 T CB -0.156 68.714 68.868 0.003 0.000 0.871 95 T HN 0.028 8.268 8.240 -0.000 0.000 0.454 96 L N 2.272 123.524 121.223 0.048 0.000 2.072 96 L HA -0.006 4.331 4.340 -0.006 0.000 0.205 96 L C 3.052 179.966 176.870 0.074 0.000 1.079 96 L CA 2.344 57.219 54.840 0.059 0.000 0.752 96 L CB -1.650 40.464 42.059 0.090 0.000 0.906 96 L HN 0.615 8.845 8.230 -0.000 0.000 0.436 97 T N -4.198 110.412 114.554 0.093 0.000 2.904 97 T HA -0.117 4.230 4.350 -0.006 0.000 0.267 97 T C 1.543 176.268 174.700 0.042 0.000 1.059 97 T CA 0.836 63.000 62.100 0.107 0.000 1.137 97 T CB -0.160 68.800 68.868 0.154 0.000 0.879 97 T HN 0.113 8.353 8.240 -0.000 0.000 0.467 98 D N 1.276 121.688 120.400 0.021 0.000 2.084 98 D HA -0.013 4.623 4.640 -0.006 0.000 0.194 98 D C 2.000 178.298 176.300 -0.003 0.000 0.990 98 D CA 0.816 54.802 54.000 -0.023 0.000 0.826 98 D CB -0.507 40.262 40.800 -0.052 0.000 0.971 98 D HN 0.292 8.662 8.370 -0.000 0.000 0.453 99 L N 0.655 121.892 121.223 0.023 0.000 2.005 99 L HA 0.034 4.371 4.340 -0.006 0.000 0.207 99 L C 2.209 179.136 176.870 0.094 0.000 1.072 99 L CA 2.339 57.228 54.840 0.082 0.000 0.744 99 L CB -1.024 41.071 42.059 0.061 0.000 0.895 99 L HN 0.079 8.309 8.230 -0.000 0.000 0.433 100 G N -1.104 107.715 108.800 0.032 0.000 2.442 100 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.219 100 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.219 100 G C 1.485 176.282 174.900 -0.171 0.000 1.141 100 G CA 0.601 45.694 45.100 -0.012 0.000 0.763 100 G HN 0.627 8.917 8.290 -0.000 0.000 0.554 101 G N 0.100 108.731 108.800 -0.283 0.000 2.408 101 G HA2 -0.138 3.818 3.960 -0.006 0.000 0.217 101 G HA3 -0.138 3.818 3.960 -0.006 0.000 0.217 101 G C 1.572 176.354 174.900 -0.197 0.000 1.150 101 G CA 0.804 45.512 45.100 -0.653 0.000 0.776 101 G HN 0.331 8.621 8.290 -0.000 0.000 0.542 102 F N 1.272 121.117 119.950 -0.175 0.000 2.206 102 F HA 0.049 4.573 4.527 -0.005 0.000 0.298 102 F C 2.575 178.401 175.800 0.044 0.000 1.090 102 F CA 0.533 58.478 58.000 -0.093 0.000 1.323 102 F CB -0.321 38.600 39.000 -0.132 0.000 1.028 102 F HN -0.000 8.300 8.300 -0.000 0.000 0.492 103 V N 0.484 120.407 119.914 0.016 0.000 2.295 103 V HA -0.292 3.825 4.120 -0.006 0.000 0.246 103 V C 2.770 178.823 176.094 -0.068 0.000 1.049 103 V CA 1.850 64.133 62.300 -0.029 0.000 1.024 103 V CB -1.518 30.306 31.823 0.002 0.000 0.648 103 V HN 0.429 8.619 8.190 -0.000 0.000 0.447 104 A N -0.093 122.687 122.820 -0.067 0.000 1.933 104 A HA -0.104 4.212 4.320 -0.006 0.000 0.218 104 A C 2.378 179.895 177.584 -0.111 0.000 1.175 104 A CA 1.963 54.010 52.037 0.017 0.000 0.628 104 A CB -0.729 18.315 19.000 0.074 0.000 0.814 104 A HN 0.586 8.736 8.150 -0.000 0.000 0.444 105 A N -0.693 121.940 122.820 -0.311 0.000 2.067 105 A HA -0.017 4.300 4.320 -0.006 0.000 0.219 105 A C 2.196 179.576 177.584 -0.340 0.000 1.158 105 A CA 2.311 53.962 52.037 -0.643 0.000 0.661 105 A CB -0.737 18.060 19.000 -0.338 0.000 0.801 105 A HN 0.790 8.940 8.150 -0.000 0.000 0.452 106 T N -5.828 108.572 114.554 -0.257 0.000 2.959 106 T HA 0.178 4.525 4.350 -0.006 0.000 0.254 106 T C 0.451 175.090 174.700 -0.101 0.000 1.003 106 T CA -0.175 61.810 62.100 -0.193 0.000 0.950 106 T CB -0.395 68.303 68.868 -0.284 0.000 1.090 106 T HN 0.210 8.450 8.240 -0.000 0.000 0.503 107 Y N 4.132 124.327 120.300 -0.175 0.000 2.650 107 Y HA 0.348 4.895 4.550 -0.004 0.000 0.331 107 Y C 0.889 176.733 175.900 -0.093 0.000 1.165 107 Y CA -1.615 56.404 58.100 -0.135 0.000 1.473 107 Y CB -0.403 37.992 38.460 -0.108 0.000 1.224 107 Y HN 0.253 8.533 8.280 -0.000 0.000 0.533 108 L N 6.204 127.068 121.223 -0.597 0.000 3.976 108 L HA -0.467 3.869 4.340 -0.006 0.000 0.418 108 L C 0.861 177.600 176.870 -0.218 0.000 1.177 108 L CA 0.984 55.547 54.840 -0.460 0.000 0.968 108 L CB -1.311 40.404 42.059 -0.573 0.000 1.933 108 L HN 0.912 9.142 8.230 -0.000 0.000 0.976 109 R N -2.619 117.784 120.500 -0.161 0.000 3.936 109 R HA -0.110 4.226 4.340 -0.006 0.000 0.366 109 R C 0.647 176.898 176.300 -0.082 0.000 1.158 109 R CA 0.860 56.901 56.100 -0.099 0.000 0.969 109 R CB -2.040 28.218 30.300 -0.070 0.000 1.504 109 R HN 1.131 9.401 8.270 -0.000 0.000 0.538 110 G N -0.747 108.001 108.800 -0.086 0.000 3.313 110 G HA2 0.245 4.202 3.960 -0.006 0.000 0.659 110 G HA3 0.245 4.202 3.960 -0.006 0.000 0.659 110 G C -0.559 174.379 174.900 0.064 0.000 1.286 110 G CA -0.504 44.557 45.100 -0.063 0.000 1.077 110 G HN 0.762 9.052 8.290 -0.000 0.000 0.551 111 V N 0.031 120.041 119.914 0.161 0.000 3.102 111 V HA 1.014 5.131 4.120 -0.006 0.000 0.312 111 V C 0.764 177.085 176.094 0.378 0.000 1.135 111 V CA -0.525 61.917 62.300 0.237 0.000 1.022 111 V CB 1.527 33.497 31.823 0.245 0.000 1.056 111 V HN 2.550 10.740 8.190 -0.000 0.000 0.436 112 A N 2.145 125.140 122.820 0.292 0.000 2.386 112 A HA 0.745 5.062 4.320 -0.006 0.000 0.248 112 A C -0.543 177.248 177.584 0.346 0.000 1.082 112 A CA 0.182 52.383 52.037 0.273 0.000 0.789 112 A CB 0.023 19.114 19.000 0.152 0.000 1.025 112 A HN 2.042 10.192 8.150 -0.000 0.000 0.490 113 Y N -0.987 119.374 120.300 0.102 0.000 2.534 113 Y HA 0.722 5.269 4.550 -0.006 0.000 0.345 113 Y C -1.448 174.493 175.900 0.067 0.000 1.031 113 Y CA -1.568 56.598 58.100 0.111 0.000 1.022 113 Y CB 1.055 39.597 38.460 0.137 0.000 1.292 113 Y HN 0.500 8.780 8.280 -0.000 0.000 0.459 114 L N 3.578 124.897 121.223 0.161 0.000 2.346 114 L HA 0.908 5.245 4.340 -0.006 0.000 0.276 114 L C -0.329 176.610 176.870 0.115 0.000 1.006 114 L CA -1.338 53.522 54.840 0.034 0.000 0.817 114 L CB 2.016 44.178 42.059 0.172 0.000 1.272 114 L HN 0.966 9.196 8.230 -0.000 0.000 0.421 115 A N 2.917 125.676 122.820 -0.102 0.000 2.317 115 A HA 0.783 5.099 4.320 -0.006 0.000 0.327 115 A C -1.066 176.414 177.584 -0.174 0.000 1.178 115 A CA -0.243 51.818 52.037 0.039 0.000 0.817 115 A CB 0.354 19.385 19.000 0.052 0.000 1.189 115 A HN 0.548 8.698 8.150 -0.000 0.000 0.489 116 F N 3.839 123.944 119.950 0.258 0.000 2.564 116 F HA 0.301 4.825 4.527 -0.007 0.000 0.361 116 F C -2.138 173.838 175.800 0.293 0.000 1.161 116 F CA -2.219 55.970 58.000 0.315 0.000 1.198 116 F CB 1.566 40.758 39.000 0.321 0.000 1.424 116 F HN 0.350 8.650 8.300 -0.000 0.000 0.517 117 P HA 0.064 4.484 4.420 -0.000 0.000 0.268 117 P C 0.458 177.906 177.300 0.248 0.000 1.204 117 P CA 0.086 63.334 63.100 0.247 0.000 0.768 117 P CB 1.344 33.146 31.700 0.170 0.000 0.842 118 T N -1.930 112.753 114.554 0.215 0.000 3.200 118 T HA 0.228 4.575 4.350 -0.006 0.000 0.284 118 T C 0.421 175.204 174.700 0.139 0.000 1.009 118 T CA -0.224 61.977 62.100 0.169 0.000 0.907 118 T CB -0.560 68.427 68.868 0.199 0.000 1.120 118 T HN 0.565 8.805 8.240 -0.000 0.000 0.534 119 T N -1.843 112.794 114.554 0.138 0.000 2.896 119 T HA 0.487 4.833 4.350 -0.006 0.000 0.297 119 T C 1.280 176.047 174.700 0.110 0.000 1.108 119 T CA 0.034 62.211 62.100 0.127 0.000 1.004 119 T CB 1.713 70.648 68.868 0.112 0.000 1.159 119 T HN 0.045 8.285 8.240 -0.000 0.000 0.499 120 T N 0.223 114.824 114.554 0.078 0.000 2.821 120 T HA -0.087 4.259 4.350 -0.006 0.000 0.267 120 T C 1.888 176.618 174.700 0.050 0.000 1.046 120 T CA 0.991 63.106 62.100 0.025 0.000 1.139 120 T CB -0.501 68.277 68.868 -0.151 0.000 0.871 120 T HN 0.398 8.638 8.240 -0.000 0.000 0.454 121 L N 1.926 123.185 121.223 0.060 0.000 2.083 121 L HA 0.213 4.549 4.340 -0.006 0.000 0.209 121 L C 2.779 179.710 176.870 0.101 0.000 1.083 121 L CA 1.705 56.596 54.840 0.086 0.000 0.752 121 L CB -1.226 40.892 42.059 0.099 0.000 0.899 121 L HN 0.354 8.584 8.230 -0.000 0.000 0.433 122 A N -0.563 122.318 122.820 0.102 0.000 1.930 122 A HA -0.114 4.202 4.320 -0.006 0.000 0.217 122 A C 2.252 179.905 177.584 0.116 0.000 1.175 122 A CA 1.808 53.912 52.037 0.112 0.000 0.627 122 A CB -0.707 18.366 19.000 0.123 0.000 0.815 122 A HN 0.504 8.654 8.150 -0.000 0.000 0.443 123 I N -0.606 120.031 120.570 0.111 0.000 2.163 123 I HA -0.175 3.991 4.170 -0.006 0.000 0.240 123 I C 2.264 178.449 176.117 0.112 0.000 1.081 123 I CA 1.121 62.485 61.300 0.107 0.000 1.353 123 I CB -0.298 37.764 38.000 0.104 0.000 1.054 123 I HN 0.135 8.345 8.210 -0.000 0.000 0.407 124 V N 0.347 120.330 119.914 0.115 0.000 2.548 124 V HA -0.236 3.880 4.120 -0.006 0.000 0.249 124 V C 1.832 178.049 176.094 0.205 0.000 1.055 124 V CA 2.127 64.512 62.300 0.142 0.000 1.065 124 V CB -0.423 31.451 31.823 0.084 0.000 0.681 124 V HN 0.432 8.622 8.190 -0.000 0.000 0.462 125 D N -0.714 119.788 120.400 0.169 0.000 2.597 125 D HA 0.165 4.802 4.640 -0.006 0.000 0.261 125 D C 1.979 178.372 176.300 0.154 0.000 1.023 125 D CA 0.911 55.024 54.000 0.189 0.000 0.927 125 D CB 0.097 41.004 40.800 0.180 0.000 1.168 125 D HN 0.234 8.604 8.370 -0.000 0.000 0.491 126 A N 0.142 123.040 122.820 0.130 0.000 2.167 126 A HA 0.023 4.339 4.320 -0.006 0.000 0.214 126 A C 2.027 179.690 177.584 0.131 0.000 1.151 126 A CA 1.434 53.541 52.037 0.117 0.000 0.735 126 A CB -0.558 18.504 19.000 0.104 0.000 0.802 126 A HN 0.295 8.445 8.150 -0.000 0.000 0.467 127 S N -1.170 114.614 115.700 0.140 0.000 2.481 127 S HA 0.165 4.631 4.470 -0.006 0.000 0.231 127 S C 0.438 175.182 174.600 0.241 0.000 0.996 127 S CA 0.583 58.877 58.200 0.156 0.000 0.942 127 S CB -0.357 62.919 63.200 0.127 0.000 0.768 127 S HN 0.170 8.480 8.310 -0.000 0.000 0.520 128 V N 0.234 120.278 119.914 0.217 0.000 2.789 128 V HA 0.747 4.863 4.120 -0.006 0.000 0.311 128 V C 0.925 177.167 176.094 0.247 0.000 1.073 128 V CA -0.162 62.294 62.300 0.259 0.000 0.921 128 V CB 1.068 32.977 31.823 0.144 0.000 1.009 128 V HN 0.428 8.618 8.190 -0.000 0.000 0.426 129 G N 2.225 111.236 108.800 0.351 0.000 2.352 129 G HA2 0.093 4.050 3.960 -0.006 0.000 0.204 129 G HA3 0.093 4.050 3.960 -0.006 0.000 0.204 129 G C 1.170 176.188 174.900 0.196 0.000 1.004 129 G CA 0.342 45.626 45.100 0.305 0.000 0.648 129 G HN 2.301 10.591 8.290 -0.000 0.000 0.491 130 G N 0.249 109.025 108.800 -0.041 0.000 2.166 130 G HA2 -0.323 3.634 3.960 -0.006 0.000 0.260 130 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.260 130 G C 0.299 175.073 174.900 -0.209 0.000 0.986 130 G CA 1.392 46.152 45.100 -0.567 0.000 0.683 130 G HN 0.970 9.260 8.290 -0.000 0.000 0.527 131 K N 1.391 121.752 120.400 -0.065 0.000 2.379 131 K HA 0.457 4.773 4.320 -0.006 0.000 0.284 131 K C 0.688 177.179 176.600 -0.181 0.000 1.044 131 K CA 0.806 56.966 56.287 -0.211 0.000 0.974 131 K CB 0.694 33.119 32.500 -0.124 0.000 0.962 131 K HN 0.462 8.712 8.250 -0.000 0.000 0.474 132 T N -0.893 113.504 114.554 -0.261 0.000 2.883 132 T HA 0.833 5.179 4.350 -0.006 0.000 0.296 132 T C 0.020 174.524 174.700 -0.326 0.000 1.117 132 T CA -0.487 61.510 62.100 -0.173 0.000 1.006 132 T CB 2.343 71.186 68.868 -0.041 0.000 1.191 132 T HN 0.745 8.985 8.240 -0.000 0.000 0.508 133 G N 0.244 108.840 108.800 -0.339 0.000 2.359 133 G HA2 0.455 4.412 3.960 -0.006 0.000 0.293 133 G HA3 0.455 4.412 3.960 -0.006 0.000 0.293 133 G C -1.521 173.111 174.900 -0.447 0.000 1.300 133 G CA -0.367 44.331 45.100 -0.671 0.000 0.888 133 G HN 1.581 9.871 8.290 -0.000 0.000 0.541 134 I N -2.888 117.379 120.570 -0.505 0.000 3.343 134 I HA 0.728 4.895 4.170 -0.006 0.000 0.315 134 I C -0.849 175.122 176.117 -0.244 0.000 1.153 134 I CA -1.494 59.635 61.300 -0.286 0.000 0.952 134 I CB 2.214 40.078 38.000 -0.227 0.000 1.287 134 I HN 0.432 8.642 8.210 -0.000 0.000 0.472 135 N N 1.284 119.886 118.700 -0.162 0.000 2.485 135 N HA 0.739 5.475 4.740 -0.006 0.000 0.280 135 N C -1.085 174.361 175.510 -0.106 0.000 1.205 135 N CA -0.436 52.534 53.050 -0.133 0.000 0.959 135 N CB 2.015 40.431 38.487 -0.118 0.000 1.206 135 N HN 0.511 8.891 8.380 -0.000 0.000 0.545 136 L N 0.258 121.431 121.223 -0.084 0.000 2.327 136 L HA 0.400 4.736 4.340 -0.006 0.000 0.258 136 L C -1.617 175.229 176.870 -0.041 0.000 1.024 136 L CA -1.800 53.005 54.840 -0.058 0.000 0.825 136 L CB 2.497 44.523 42.059 -0.055 0.000 1.386 136 L HN 0.228 8.458 8.230 -0.000 0.000 0.417 137 P HA -0.131 4.289 4.420 -0.000 0.000 0.218 137 P C 0.578 177.875 177.300 -0.006 0.000 1.148 137 P CA 1.017 64.108 63.100 -0.014 0.000 0.822 137 P CB 0.337 32.032 31.700 -0.008 0.000 0.784 138 E N -0.984 119.211 120.200 -0.009 0.000 2.418 138 E HA 0.239 4.586 4.350 -0.006 0.000 0.197 138 E C 1.080 177.686 176.600 0.009 0.000 1.026 138 E CA 0.552 56.951 56.400 -0.001 0.000 0.862 138 E CB -0.323 29.373 29.700 -0.008 0.000 0.799 138 E HN 0.206 8.566 8.360 -0.000 0.000 0.518 139 G N -0.555 108.244 108.800 -0.002 0.000 2.340 139 G HA2 0.133 4.089 3.960 -0.006 0.000 0.300 139 G HA3 0.133 4.089 3.960 -0.006 0.000 0.300 139 G C -1.401 173.485 174.900 -0.025 0.000 1.488 139 G CA -1.124 43.985 45.100 0.015 0.000 0.878 139 G HN -0.192 8.098 8.290 -0.000 0.000 0.618 140 K N 1.339 121.733 120.400 -0.010 0.000 2.295 140 K HA 0.232 4.549 4.320 -0.006 0.000 0.270 140 K C 0.531 177.094 176.600 -0.062 0.000 1.011 140 K CA -0.419 55.833 56.287 -0.058 0.000 0.953 140 K CB 0.347 32.824 32.500 -0.038 0.000 0.956 140 K HN 0.651 8.901 8.250 -0.000 0.000 0.477 141 N N 1.977 120.608 118.700 -0.116 0.000 2.686 141 N HA -0.220 4.516 4.740 -0.006 0.000 0.261 141 N C 0.197 175.609 175.510 -0.164 0.000 1.001 141 N CA 0.460 53.415 53.050 -0.160 0.000 0.764 141 N CB -1.017 37.389 38.487 -0.136 0.000 0.898 141 N HN 0.494 8.874 8.380 -0.000 0.000 0.544 142 L N -1.156 119.967 121.223 -0.167 0.000 2.616 142 L HA 0.200 4.537 4.340 -0.006 0.000 0.229 142 L C 0.304 177.056 176.870 -0.197 0.000 1.110 142 L CA 0.269 55.021 54.840 -0.147 0.000 0.884 142 L CB 0.602 42.603 42.059 -0.097 0.000 1.115 142 L HN -0.027 8.203 8.230 -0.000 0.000 0.481 143 V N -0.413 119.319 119.914 -0.303 0.000 2.638 143 V HA 0.893 5.009 4.120 -0.006 0.000 0.306 143 V C 0.148 175.787 176.094 -0.758 0.000 1.052 143 V CA -0.441 61.610 62.300 -0.414 0.000 0.885 143 V CB 1.541 33.142 31.823 -0.370 0.000 0.999 143 V HN 0.231 8.421 8.190 -0.000 0.000 0.424 144 G N 2.450 110.771 108.800 -0.798 0.000 2.435 144 G HA2 0.895 4.851 3.960 -0.006 0.000 0.296 144 G HA3 0.895 4.851 3.960 -0.006 0.000 0.296 144 G C -1.423 173.217 174.900 -0.432 0.000 1.240 144 G CA 0.256 44.720 45.100 -1.060 0.000 0.872 144 G HN 1.563 9.853 8.290 -0.000 0.000 0.480 145 A N -1.283 121.363 122.820 -0.290 0.000 2.594 145 A HA 0.672 4.988 4.320 -0.006 0.000 0.296 145 A C -1.889 175.569 177.584 -0.210 0.000 1.056 145 A CA -0.648 51.344 52.037 -0.075 0.000 0.693 145 A CB 0.712 19.841 19.000 0.215 0.000 1.278 145 A HN 1.011 9.161 8.150 -0.000 0.000 0.408 146 F N 2.047 122.008 119.950 0.018 0.000 2.390 146 F HA 0.511 5.034 4.527 -0.006 0.000 0.361 146 F C 0.457 176.247 175.800 -0.017 0.000 1.124 146 F CA 0.717 58.665 58.000 -0.086 0.000 1.149 146 F CB 0.908 39.877 39.000 -0.052 0.000 1.160 146 F HN 0.690 8.990 8.300 -0.000 0.000 0.501 147 H N 4.050 123.052 119.070 -0.113 0.000 3.018 147 H HA 0.396 4.949 4.556 -0.005 0.000 0.334 147 H C -1.359 173.965 175.328 -0.007 0.000 0.983 147 H CA -1.293 54.781 56.048 0.043 0.000 1.363 147 H CB 0.652 30.502 29.762 0.146 0.000 1.668 147 H HN 0.311 8.591 8.280 -0.000 0.000 0.513 148 F N 6.162 126.077 119.950 -0.058 0.000 2.384 148 F HA 0.382 4.905 4.527 -0.006 0.000 0.338 148 F C -1.660 173.747 175.800 -0.655 0.000 1.103 148 F CA -1.964 55.899 58.000 -0.229 0.000 1.157 148 F CB 0.684 39.616 39.000 -0.114 0.000 1.167 148 F HN 0.416 8.716 8.300 -0.000 0.000 0.529 149 P HA 0.009 4.429 4.420 -0.000 0.000 0.274 149 P C -0.308 176.478 177.300 -0.857 0.000 1.237 149 P CA -0.290 62.015 63.100 -1.325 0.000 0.793 149 P CB 0.996 32.011 31.700 -1.142 0.000 0.977 150 Q N 0.228 119.703 119.800 -0.542 0.000 2.432 150 Q HA 0.190 4.526 4.340 -0.006 0.000 0.205 150 Q C 0.357 176.295 176.000 -0.103 0.000 0.945 150 Q CA 0.480 56.156 55.803 -0.212 0.000 0.924 150 Q CB 0.031 28.718 28.738 -0.086 0.000 1.016 150 Q HN 0.753 9.023 8.270 -0.000 0.000 0.503 151 G N -0.925 107.745 108.800 -0.216 0.000 2.556 151 G HA2 0.411 4.367 3.960 -0.006 0.000 0.294 151 G HA3 0.411 4.367 3.960 -0.006 0.000 0.294 151 G C -1.978 172.729 174.900 -0.322 0.000 1.516 151 G CA -0.609 44.418 45.100 -0.122 0.000 0.824 151 G HN -0.037 8.253 8.290 -0.000 0.000 0.535 152 V N 1.022 120.616 119.914 -0.532 0.000 2.531 152 V HA 0.595 4.712 4.120 -0.006 0.000 0.301 152 V C -1.385 174.236 176.094 -0.788 0.000 1.034 152 V CA -0.730 61.300 62.300 -0.450 0.000 0.865 152 V CB 1.463 33.193 31.823 -0.155 0.000 0.995 152 V HN 0.674 8.864 8.190 -0.000 0.000 0.424 153 Y N 2.753 122.899 120.300 -0.257 0.000 2.426 153 Y HA 0.684 5.231 4.550 -0.006 0.000 0.325 153 Y C 0.386 176.338 175.900 0.086 0.000 0.989 153 Y CA -0.600 57.439 58.100 -0.102 0.000 1.284 153 Y CB 1.890 40.240 38.460 -0.184 0.000 1.104 153 Y HN 0.678 8.958 8.280 -0.000 0.000 0.481 154 A N 2.561 125.483 122.820 0.170 0.000 2.366 154 A HA 0.438 4.754 4.320 -0.006 0.000 0.322 154 A C -0.266 177.421 177.584 0.172 0.000 1.397 154 A CA -0.607 51.536 52.037 0.178 0.000 0.984 154 A CB 0.093 19.160 19.000 0.112 0.000 1.149 154 A HN 0.612 8.762 8.150 -0.000 0.000 0.540 155 E N 3.095 123.397 120.200 0.169 0.000 2.070 155 E HA 0.296 4.642 4.350 -0.006 0.000 0.282 155 E C 0.517 177.080 176.600 -0.061 0.000 1.104 155 E CA -0.246 56.175 56.400 0.036 0.000 0.876 155 E CB 0.083 29.698 29.700 -0.141 0.000 1.055 155 E HN 0.614 8.974 8.360 -0.000 0.000 0.401 156 L N 3.842 125.070 121.223 0.009 0.000 2.191 156 L HA -0.113 4.223 4.340 -0.006 0.000 0.212 156 L C 2.315 179.167 176.870 -0.029 0.000 1.103 156 L CA 1.044 55.897 54.840 0.022 0.000 0.769 156 L CB -0.306 41.790 42.059 0.061 0.000 0.908 156 L HN 0.545 8.775 8.230 -0.000 0.000 0.438 157 R N 0.671 121.126 120.500 -0.075 0.000 2.241 157 R HA -0.140 4.197 4.340 -0.006 0.000 0.224 157 R C 2.139 178.349 176.300 -0.150 0.000 1.101 157 R CA 1.069 57.114 56.100 -0.092 0.000 0.995 157 R CB -0.068 30.182 30.300 -0.083 0.000 0.870 157 R HN 0.350 8.620 8.270 -0.000 0.000 0.463 158 A N 0.313 122.979 122.820 -0.256 0.000 2.067 158 A HA 0.024 4.341 4.320 -0.006 0.000 0.217 158 A C 1.885 179.423 177.584 -0.076 0.000 1.156 158 A CA 0.482 52.362 52.037 -0.263 0.000 0.683 158 A CB -0.108 18.596 19.000 -0.493 0.000 0.808 158 A HN 0.323 8.473 8.150 -0.000 0.000 0.455 159 L N -0.809 120.404 121.223 -0.016 0.000 2.478 159 L HA -0.064 4.273 4.340 -0.006 0.000 0.223 159 L C 2.078 178.962 176.870 0.024 0.000 1.140 159 L CA 0.700 55.584 54.840 0.074 0.000 0.842 159 L CB -0.276 41.890 42.059 0.179 0.000 0.953 159 L HN 0.335 8.565 8.230 -0.000 0.000 0.452 160 K N -0.688 119.696 120.400 -0.027 0.000 2.211 160 K HA -0.129 4.187 4.320 -0.006 0.000 0.203 160 K C 1.947 178.517 176.600 -0.050 0.000 1.050 160 K CA 1.467 57.717 56.287 -0.061 0.000 0.945 160 K CB -0.138 32.329 32.500 -0.055 0.000 0.732 160 K HN 0.096 8.346 8.250 -0.000 0.000 0.451 161 T N 0.523 115.065 114.554 -0.020 0.000 3.107 161 T HA 0.074 4.420 4.350 -0.006 0.000 0.249 161 T C 0.105 174.813 174.700 0.012 0.000 1.096 161 T CA -0.320 61.776 62.100 -0.005 0.000 1.012 161 T CB -0.030 68.844 68.868 0.009 0.000 0.977 161 T HN -0.072 8.168 8.240 -0.000 0.000 0.527 162 L N 3.394 124.633 121.223 0.026 0.000 2.410 162 L HA 0.420 4.756 4.340 -0.006 0.000 0.273 162 L C -2.285 174.613 176.870 0.047 0.000 1.152 162 L CA -1.941 52.939 54.840 0.067 0.000 0.855 162 L CB 0.578 42.724 42.059 0.144 0.000 1.129 162 L HN -0.021 8.209 8.230 -0.000 0.000 0.463 163 P HA -0.047 4.373 4.420 -0.000 0.000 0.265 163 P C 0.536 177.865 177.300 0.049 0.000 1.193 163 P CA -0.184 62.933 63.100 0.028 0.000 0.765 163 P CB 0.564 32.281 31.700 0.028 0.000 0.823 164 L N 7.440 128.664 121.223 0.003 0.000 2.043 164 L HA -0.118 4.218 4.340 -0.006 0.000 0.212 164 L C -0.922 175.971 176.870 0.039 0.000 1.075 164 L CA 2.566 57.413 54.840 0.011 0.000 0.752 164 L CB -1.921 40.098 42.059 -0.067 0.000 0.891 164 L HN 0.419 8.649 8.230 -0.000 0.000 0.432 165 P HA -0.109 4.311 4.420 -0.000 0.000 0.215 165 P C 1.557 178.855 177.300 -0.003 0.000 1.153 165 P CA 1.861 64.931 63.100 -0.050 0.000 0.853 165 P CB -0.123 31.548 31.700 -0.048 0.000 0.788 166 T N -1.096 113.486 114.554 0.048 0.000 2.821 166 T HA -0.127 4.219 4.350 -0.006 0.000 0.267 166 T C 1.453 176.215 174.700 0.104 0.000 1.046 166 T CA 0.856 62.998 62.100 0.069 0.000 1.139 166 T CB -1.017 67.900 68.868 0.082 0.000 0.871 166 T HN 0.061 8.301 8.240 -0.000 0.000 0.454 167 F N 2.222 122.173 119.950 0.002 0.000 2.126 167 F HA -0.106 4.417 4.527 -0.006 0.000 0.299 167 F C 2.143 177.975 175.800 0.053 0.000 1.096 167 F CA 1.359 59.377 58.000 0.031 0.000 1.255 167 F CB -0.109 38.901 39.000 0.017 0.000 0.997 167 F HN -0.026 8.274 8.300 -0.000 0.000 0.479 168 K N 0.130 120.551 120.400 0.036 0.000 2.148 168 K HA -0.152 4.165 4.320 -0.006 0.000 0.204 168 K C 1.939 178.520 176.600 -0.031 0.000 1.050 168 K CA 1.443 57.690 56.287 -0.067 0.000 0.942 168 K CB -0.293 31.984 32.500 -0.372 0.000 0.724 168 K HN 0.422 8.672 8.250 -0.000 0.000 0.446 169 E N 0.231 120.410 120.200 -0.034 0.000 2.097 169 E HA -0.184 4.162 4.350 -0.006 0.000 0.196 169 E C 2.152 178.763 176.600 0.019 0.000 1.000 169 E CA 1.251 57.649 56.400 -0.003 0.000 0.804 169 E CB -0.182 29.531 29.700 0.022 0.000 0.740 169 E HN 0.467 8.827 8.360 -0.000 0.000 0.454 170 G N 0.998 109.790 108.800 -0.014 0.000 2.422 170 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.218 170 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.218 170 G C 1.536 176.443 174.900 0.012 0.000 1.140 170 G CA 0.261 45.357 45.100 -0.005 0.000 0.775 170 G HN 0.107 8.397 8.290 -0.000 0.000 0.545 171 L N 0.479 121.701 121.223 -0.001 0.000 2.275 171 L HA -0.040 4.297 4.340 -0.006 0.000 0.215 171 L C 2.827 179.808 176.870 0.185 0.000 1.119 171 L CA 0.157 55.063 54.840 0.110 0.000 0.790 171 L CB -0.398 41.734 42.059 0.122 0.000 0.919 171 L HN 0.082 8.312 8.230 -0.000 0.000 0.443 172 V N -0.173 119.825 119.914 0.140 0.000 2.358 172 V HA -0.245 3.871 4.120 -0.006 0.000 0.246 172 V C 2.454 178.625 176.094 0.129 0.000 1.047 172 V CA 1.678 64.047 62.300 0.115 0.000 1.035 172 V CB -0.300 31.541 31.823 0.029 0.000 0.658 172 V HN 0.353 8.543 8.190 -0.000 0.000 0.452 173 E N 0.345 120.581 120.200 0.059 0.000 2.110 173 E HA -0.147 4.200 4.350 -0.006 0.000 0.193 173 E C 2.187 178.617 176.600 -0.283 0.000 0.988 173 E CA 1.404 57.779 56.400 -0.043 0.000 0.804 173 E CB -0.442 29.245 29.700 -0.022 0.000 0.745 173 E HN 0.554 8.914 8.360 -0.000 0.000 0.458 174 A N -0.244 122.503 122.820 -0.122 0.000 1.898 174 A HA -0.148 4.168 4.320 -0.006 0.000 0.216 174 A C 2.144 179.740 177.584 0.020 0.000 1.181 174 A CA 1.260 53.224 52.037 -0.122 0.000 0.620 174 A CB -0.897 18.189 19.000 0.144 0.000 0.819 174 A HN 0.435 8.585 8.150 -0.000 0.000 0.442 175 F N 0.734 120.699 119.950 0.026 0.000 2.126 175 F HA -0.199 4.324 4.527 -0.006 0.000 0.299 175 F C 2.253 178.079 175.800 0.043 0.000 1.096 175 F CA 2.314 60.348 58.000 0.056 0.000 1.255 175 F CB -0.054 38.981 39.000 0.058 0.000 0.997 175 F HN 0.206 8.506 8.300 -0.000 0.000 0.479 176 K N -0.449 120.118 120.400 0.277 0.000 2.063 176 K HA -0.243 4.074 4.320 -0.006 0.000 0.208 176 K C 1.989 178.690 176.600 0.170 0.000 1.048 176 K CA 2.128 58.552 56.287 0.229 0.000 0.928 176 K CB -0.533 32.101 32.500 0.224 0.000 0.713 176 K HN 0.504 8.754 8.250 -0.000 0.000 0.442 177 H N -1.392 117.714 119.070 0.060 0.000 2.421 177 H HA -0.080 4.472 4.556 -0.006 0.000 0.298 177 H C 2.070 177.359 175.328 -0.065 0.000 1.087 177 H CA 0.482 56.528 56.048 -0.002 0.000 1.330 177 H CB -0.013 29.735 29.762 -0.023 0.000 1.388 177 H HN 0.440 8.720 8.280 -0.000 0.000 0.526 178 G N 0.905 109.701 108.800 -0.007 0.000 2.418 178 G HA2 -0.213 3.744 3.960 -0.006 0.000 0.217 178 G HA3 -0.213 3.744 3.960 -0.006 0.000 0.217 178 G C 1.639 176.457 174.900 -0.137 0.000 1.158 178 G CA 0.598 45.616 45.100 -0.136 0.000 0.771 178 G HN 0.230 8.520 8.290 -0.000 0.000 0.545 179 L N 0.011 121.148 121.223 -0.144 0.000 2.093 179 L HA 0.035 4.371 4.340 -0.006 0.000 0.208 179 L C 2.839 179.707 176.870 -0.004 0.000 1.085 179 L CA 0.541 55.336 54.840 -0.075 0.000 0.755 179 L CB -0.318 41.736 42.059 -0.008 0.000 0.904 179 L HN 0.207 8.437 8.230 -0.000 0.000 0.435 180 I N -0.098 120.491 120.570 0.032 0.000 2.202 180 I HA -0.230 3.936 4.170 -0.006 0.000 0.242 180 I C 2.645 178.765 176.117 0.004 0.000 1.091 180 I CA 1.286 62.609 61.300 0.038 0.000 1.368 180 I CB -0.350 37.690 38.000 0.065 0.000 1.058 180 I HN 0.174 8.384 8.210 -0.000 0.000 0.410 181 A N -0.026 122.787 122.820 -0.012 0.000 2.072 181 A HA 0.266 4.582 4.320 -0.006 0.000 0.216 181 A C 1.836 179.398 177.584 -0.036 0.000 1.156 181 A CA 0.931 52.949 52.037 -0.031 0.000 0.701 181 A CB -0.396 18.577 19.000 -0.045 0.000 0.816 181 A HN 0.572 8.722 8.150 -0.000 0.000 0.458 182 G N -0.430 108.344 108.800 -0.043 0.000 2.132 182 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.228 182 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.228 182 G C -0.242 174.623 174.900 -0.058 0.000 1.000 182 G CA 0.252 45.324 45.100 -0.047 0.000 0.693 182 G HN 0.511 8.801 8.290 -0.000 0.000 0.515 183 D N 0.356 120.712 120.400 -0.073 0.000 2.441 183 D HA 0.375 5.011 4.640 -0.006 0.000 0.221 183 D C 1.370 177.613 176.300 -0.094 0.000 1.156 183 D CA -0.412 53.541 54.000 -0.078 0.000 0.896 183 D CB 0.910 41.658 40.800 -0.086 0.000 1.028 183 D HN 0.296 8.666 8.370 -0.000 0.000 0.509 184 E N 3.142 123.298 120.200 -0.073 0.000 2.160 184 E HA -0.189 4.157 4.350 -0.006 0.000 0.195 184 E C 1.700 178.270 176.600 -0.050 0.000 0.991 184 E CA 1.467 57.825 56.400 -0.069 0.000 0.810 184 E CB 0.048 29.723 29.700 -0.042 0.000 0.742 184 E HN 0.529 8.889 8.360 -0.000 0.000 0.466 185 A N 0.185 122.983 122.820 -0.036 0.000 1.972 185 A HA -0.116 4.201 4.320 -0.006 0.000 0.219 185 A C 2.102 179.718 177.584 0.054 0.000 1.169 185 A CA 1.207 53.249 52.037 0.008 0.000 0.635 185 A CB -0.539 18.455 19.000 -0.009 0.000 0.810 185 A HN 0.354 8.504 8.150 -0.000 0.000 0.446 186 L N -0.533 120.654 121.223 -0.059 0.000 2.552 186 L HA 0.031 4.367 4.340 -0.006 0.000 0.227 186 L C 1.610 178.517 176.870 0.062 0.000 1.146 186 L CA 0.194 54.988 54.840 -0.077 0.000 0.858 186 L CB -0.187 41.744 42.059 -0.214 0.000 0.969 186 L HN 0.373 8.603 8.230 -0.000 0.000 0.451 187 L N -0.624 120.560 121.223 -0.065 0.000 2.567 187 L HA 0.031 4.368 4.340 -0.006 0.000 0.225 187 L C 1.145 178.075 176.870 0.100 0.000 1.119 187 L CA 0.237 54.979 54.840 -0.164 0.000 0.871 187 L CB -0.112 41.758 42.059 -0.316 0.000 1.036 187 L HN 0.100 8.330 8.230 -0.000 0.000 0.459 188 K N 1.587 122.048 120.400 0.103 0.000 2.231 188 K HA 0.211 4.527 4.320 -0.006 0.000 0.275 188 K C 0.544 177.062 176.600 -0.136 0.000 1.105 188 K CA -0.115 56.178 56.287 0.010 0.000 0.931 188 K CB 0.874 33.393 32.500 0.032 0.000 1.296 188 K HN 0.043 8.293 8.250 -0.000 0.000 0.446 189 V N 0.461 120.161 119.914 -0.356 0.000 3.497 189 V HA 0.105 4.222 4.120 -0.006 0.000 0.272 189 V C 1.285 176.755 176.094 -1.040 0.000 1.474 189 V CA 0.057 61.909 62.300 -0.746 0.000 1.025 189 V CB 0.120 31.411 31.823 -0.885 0.000 0.820 189 V HN 0.637 8.827 8.190 -0.000 0.000 0.437 190 E N 2.653 122.287 120.200 -0.943 0.000 2.208 190 E HA -0.277 4.070 4.350 -0.006 0.000 0.202 190 E C 1.587 178.023 176.600 -0.272 0.000 1.014 190 E CA 2.031 57.916 56.400 -0.857 0.000 0.819 190 E CB -0.198 29.305 29.700 -0.329 0.000 0.735 190 E HN 0.957 9.317 8.360 -0.000 0.000 0.469 191 D N 0.195 120.483 120.400 -0.186 0.000 2.346 191 D HA -0.043 4.593 4.640 -0.006 0.000 0.206 191 D C 0.760 177.080 176.300 0.033 0.000 1.001 191 D CA -0.031 53.955 54.000 -0.023 0.000 0.871 191 D CB -0.026 40.749 40.800 -0.040 0.000 0.943 191 D HN 0.117 8.487 8.370 -0.000 0.000 0.518 192 L N 1.787 123.000 121.223 -0.017 0.000 2.490 192 L HA 0.158 4.494 4.340 -0.006 0.000 0.274 192 L C 0.826 177.889 176.870 0.323 0.000 1.201 192 L CA 0.428 55.322 54.840 0.090 0.000 0.869 192 L CB 0.596 42.607 42.059 -0.081 0.000 1.123 192 L HN 0.148 8.378 8.230 -0.000 0.000 0.484 193 T N -0.652 114.015 114.554 0.187 0.000 2.843 193 T HA 0.370 4.716 4.350 -0.006 0.000 0.302 193 T C -2.404 172.092 174.700 -0.340 0.000 1.232 193 T CA -1.627 60.396 62.100 -0.129 0.000 1.009 193 T CB 1.997 70.796 68.868 -0.116 0.000 1.254 193 T HN 0.158 8.398 8.240 -0.000 0.000 0.504 194 P HA -0.052 4.368 4.420 -0.000 0.000 0.220 194 P C 1.038 178.252 177.300 -0.144 0.000 1.144 194 P CA 1.127 63.938 63.100 -0.483 0.000 0.800 194 P CB 0.073 31.472 31.700 -0.503 0.000 0.772 195 Q N -1.753 117.969 119.800 -0.130 0.000 2.402 195 Q HA 0.133 4.469 4.340 -0.006 0.000 0.206 195 Q C 0.497 176.492 176.000 -0.009 0.000 0.919 195 Q CA 0.180 55.952 55.803 -0.053 0.000 0.923 195 Q CB -0.461 28.243 28.738 -0.056 0.000 1.048 195 Q HN 0.039 8.309 8.270 -0.000 0.000 0.515 196 S N 3.585 119.288 115.700 0.005 0.000 2.885 196 S HA -0.045 4.422 4.470 -0.006 0.000 0.334 196 S C -1.526 173.101 174.600 0.044 0.000 1.224 196 S CA -0.359 57.859 58.200 0.031 0.000 1.080 196 S CB 0.374 63.604 63.200 0.050 0.000 0.801 196 S HN 0.276 8.586 8.310 -0.000 0.000 0.510 197 P HA -0.151 4.269 4.420 -0.000 0.000 0.222 197 P C 0.945 178.279 177.300 0.056 0.000 1.147 197 P CA 0.865 63.990 63.100 0.041 0.000 0.790 197 P CB 0.092 31.810 31.700 0.030 0.000 0.780 198 R N -0.714 119.822 120.500 0.061 0.000 2.317 198 R HA 0.127 4.464 4.340 -0.006 0.000 0.208 198 R C 1.937 178.313 176.300 0.126 0.000 0.914 198 R CA -0.187 55.963 56.100 0.082 0.000 1.060 198 R CB -0.934 29.408 30.300 0.070 0.000 1.015 198 R HN 0.035 8.305 8.270 -0.000 0.000 0.498 199 L N 2.150 123.447 121.223 0.124 0.000 2.012 199 L HA -0.163 4.173 4.340 -0.006 0.000 0.210 199 L C 2.406 179.401 176.870 0.208 0.000 1.073 199 L CA 2.151 57.097 54.840 0.177 0.000 0.748 199 L CB -0.556 41.615 42.059 0.186 0.000 0.891 199 L HN 0.401 8.631 8.230 -0.000 0.000 0.431 200 E N -0.469 119.821 120.200 0.149 0.000 2.049 200 E HA -0.303 4.044 4.350 -0.006 0.000 0.198 200 E C 2.039 178.713 176.600 0.123 0.000 1.007 200 E CA 1.585 58.061 56.400 0.126 0.000 0.809 200 E CB -0.289 29.465 29.700 0.092 0.000 0.749 200 E HN 0.603 8.963 8.360 -0.000 0.000 0.450 201 A N 0.251 123.142 122.820 0.118 0.000 1.933 201 A HA -0.152 4.164 4.320 -0.006 0.000 0.218 201 A C 2.022 179.669 177.584 0.105 0.000 1.175 201 A CA 1.290 53.382 52.037 0.092 0.000 0.628 201 A CB -0.863 18.186 19.000 0.082 0.000 0.814 201 A HN 0.542 8.692 8.150 -0.000 0.000 0.444 202 F N 0.478 120.447 119.950 0.031 0.000 2.113 202 F HA -0.113 4.410 4.527 -0.006 0.000 0.297 202 F C 1.921 177.740 175.800 0.031 0.000 1.103 202 F CA 1.730 59.745 58.000 0.026 0.000 1.248 202 F CB -0.195 38.822 39.000 0.027 0.000 0.999 202 F HN 0.134 8.434 8.300 -0.000 0.000 0.475 203 L N -0.121 121.242 121.223 0.234 0.000 2.046 203 L HA -0.194 4.143 4.340 -0.006 0.000 0.208 203 L C 2.791 179.671 176.870 0.017 0.000 1.077 203 L CA 1.122 56.041 54.840 0.131 0.000 0.747 203 L CB -1.163 41.001 42.059 0.176 0.000 0.896 203 L HN 0.259 8.489 8.230 -0.000 0.000 0.432 204 A N 0.055 122.887 122.820 0.020 0.000 1.933 204 A HA -0.247 4.070 4.320 -0.006 0.000 0.218 204 A C 2.432 179.983 177.584 -0.054 0.000 1.175 204 A CA 1.760 53.793 52.037 -0.007 0.000 0.628 204 A CB -0.559 18.444 19.000 0.005 0.000 0.814 204 A HN 0.359 8.509 8.150 -0.000 0.000 0.444 205 R N -0.413 120.025 120.500 -0.104 0.000 2.075 205 R HA -0.061 4.275 4.340 -0.006 0.000 0.232 205 R C 2.276 178.477 176.300 -0.165 0.000 1.126 205 R CA 1.370 57.380 56.100 -0.150 0.000 0.963 205 R CB -0.392 29.781 30.300 -0.211 0.000 0.858 205 R HN 0.425 8.695 8.270 -0.000 0.000 0.435 206 A N 0.306 122.994 122.820 -0.218 0.000 1.877 206 A HA -0.104 4.212 4.320 -0.006 0.000 0.216 206 A C 2.235 179.870 177.584 0.086 0.000 1.186 206 A CA 1.648 53.638 52.037 -0.079 0.000 0.620 206 A CB -0.548 18.378 19.000 -0.124 0.000 0.822 206 A HN 0.226 8.376 8.150 -0.000 0.000 0.443 207 V N -0.096 119.836 119.914 0.031 0.000 2.358 207 V HA -0.222 3.894 4.120 -0.006 0.000 0.246 207 V C 3.029 179.100 176.094 -0.038 0.000 1.047 207 V CA 1.778 64.096 62.300 0.030 0.000 1.035 207 V CB -1.299 30.537 31.823 0.022 0.000 0.658 207 V HN 0.608 8.798 8.190 -0.000 0.000 0.452 208 A N -0.077 122.708 122.820 -0.058 0.000 1.978 208 A HA -0.169 4.147 4.320 -0.006 0.000 0.220 208 A C 2.384 179.906 177.584 -0.104 0.000 1.170 208 A CA 2.119 54.108 52.037 -0.080 0.000 0.636 208 A CB -0.636 18.320 19.000 -0.075 0.000 0.810 208 A HN 0.365 8.515 8.150 -0.000 0.000 0.448 209 V N -0.063 119.778 119.914 -0.122 0.000 2.358 209 V HA -0.233 3.883 4.120 -0.006 0.000 0.246 209 V C 2.495 178.432 176.094 -0.260 0.000 1.047 209 V CA 2.303 64.501 62.300 -0.170 0.000 1.035 209 V CB -0.589 31.142 31.823 -0.153 0.000 0.658 209 V HN 0.687 8.877 8.190 -0.000 0.000 0.452 210 K N -0.101 120.080 120.400 -0.367 0.000 2.148 210 K HA -0.115 4.202 4.320 -0.006 0.000 0.204 210 K C 2.035 178.544 176.600 -0.151 0.000 1.050 210 K CA 1.095 57.182 56.287 -0.334 0.000 0.942 210 K CB -0.057 32.272 32.500 -0.286 0.000 0.724 210 K HN 0.314 8.564 8.250 -0.000 0.000 0.446 211 V N 1.537 121.378 119.914 -0.120 0.000 2.295 211 V HA -0.255 3.862 4.120 -0.006 0.000 0.246 211 V C 2.398 178.433 176.094 -0.098 0.000 1.049 211 V CA 1.814 64.054 62.300 -0.099 0.000 1.024 211 V CB -0.471 31.285 31.823 -0.112 0.000 0.648 211 V HN 0.359 8.549 8.190 -0.000 0.000 0.447 212 R N -0.342 120.097 120.500 -0.102 0.000 2.070 212 R HA -0.138 4.198 4.340 -0.006 0.000 0.233 212 R C 2.261 178.514 176.300 -0.078 0.000 1.137 212 R CA 1.709 57.757 56.100 -0.087 0.000 0.945 212 R CB -0.789 29.461 30.300 -0.083 0.000 0.845 212 R HN 0.418 8.688 8.270 -0.000 0.000 0.430 213 V N 0.800 120.661 119.914 -0.088 0.000 2.332 213 V HA -0.261 3.855 4.120 -0.006 0.000 0.248 213 V C 2.251 178.312 176.094 -0.055 0.000 1.055 213 V CA 2.249 64.506 62.300 -0.071 0.000 1.038 213 V CB -0.700 31.072 31.823 -0.085 0.000 0.651 213 V HN 0.435 8.626 8.190 -0.000 0.000 0.450 214 T N -0.543 113.978 114.554 -0.054 0.000 2.777 214 T HA -0.183 4.164 4.350 -0.006 0.000 0.266 214 T C 1.816 176.493 174.700 -0.038 0.000 1.040 214 T CA 1.633 63.716 62.100 -0.029 0.000 1.141 214 T CB -0.200 68.667 68.868 -0.002 0.000 0.868 214 T HN 0.601 8.841 8.240 -0.000 0.000 0.444 215 E N 0.479 120.645 120.200 -0.056 0.000 2.158 215 E HA -0.061 4.286 4.350 -0.006 0.000 0.191 215 E C 2.232 178.798 176.600 -0.056 0.000 0.982 215 E CA 0.522 56.883 56.400 -0.066 0.000 0.823 215 E CB 0.015 29.666 29.700 -0.082 0.000 0.766 215 E HN 0.532 8.892 8.360 -0.000 0.000 0.468 216 E N 0.801 120.971 120.200 -0.051 0.000 2.208 216 E HA -0.153 4.193 4.350 -0.006 0.000 0.193 216 E C 0.101 176.679 176.600 -0.037 0.000 0.988 216 E CA 0.736 57.111 56.400 -0.043 0.000 0.828 216 E CB 0.368 30.044 29.700 -0.040 0.000 0.763 216 E HN -0.040 8.320 8.360 -0.000 0.000 0.478 217 D N -0.363 120.015 120.400 -0.036 0.000 2.443 217 D HA 0.110 4.746 4.640 -0.006 0.000 0.281 217 D C -2.053 174.226 176.300 -0.034 0.000 1.210 217 D CA -1.995 51.986 54.000 -0.032 0.000 0.875 217 D CB 1.347 42.132 40.800 -0.026 0.000 1.125 217 D HN -0.026 8.344 8.370 -0.000 0.000 0.503 218 P HA 0.022 4.442 4.420 -0.000 0.000 0.241 218 P C 0.950 178.217 177.300 -0.056 0.000 1.191 218 P CA 0.197 63.269 63.100 -0.046 0.000 0.771 218 P CB 0.575 32.245 31.700 -0.051 0.000 0.929 219 L N -0.635 120.560 121.223 -0.047 0.000 2.640 219 L HA 0.238 4.575 4.340 -0.006 0.000 0.230 219 L C 0.792 177.637 176.870 -0.042 0.000 1.123 219 L CA 0.129 54.940 54.840 -0.047 0.000 0.900 219 L CB -0.574 41.463 42.059 -0.038 0.000 1.146 219 L HN -0.155 8.075 8.230 -0.000 0.000 0.484 220 E N 0.576 120.754 120.200 -0.036 0.000 2.360 220 E HA -0.292 4.054 4.350 -0.006 0.000 0.238 220 E C 0.544 177.127 176.600 -0.028 0.000 1.186 220 E CA 0.481 56.863 56.400 -0.029 0.000 0.719 220 E CB -0.753 28.930 29.700 -0.028 0.000 1.236 220 E HN 0.518 8.878 8.360 -0.000 0.000 0.386 221 K N -1.139 119.246 120.400 -0.025 0.000 2.374 221 K HA 0.186 4.502 4.320 -0.006 0.000 0.202 221 K C 0.946 177.539 176.600 -0.012 0.000 1.040 221 K CA 0.446 56.720 56.287 -0.021 0.000 1.085 221 K CB 1.291 33.778 32.500 -0.022 0.000 0.873 221 K HN 0.236 8.486 8.250 -0.000 0.000 0.539 222 G N 0.481 109.275 108.800 -0.011 0.000 3.382 222 G HA2 0.031 3.987 3.960 -0.006 0.000 0.183 222 G HA3 0.031 3.987 3.960 -0.006 0.000 0.183 222 G C 0.234 175.134 174.900 -0.001 0.000 1.246 222 G CA -0.339 44.758 45.100 -0.004 0.000 0.828 222 G HN -0.203 8.087 8.290 -0.000 0.000 0.728 223 K N 0.400 120.797 120.400 -0.005 0.000 2.152 223 K HA -0.073 4.243 4.320 -0.006 0.000 0.206 223 K C 2.248 178.844 176.600 -0.007 0.000 1.048 223 K CA 0.916 57.200 56.287 -0.005 0.000 0.933 223 K CB -0.311 32.179 32.500 -0.016 0.000 0.721 223 K HN 0.386 8.636 8.250 -0.000 0.000 0.447 224 R N 1.606 122.098 120.500 -0.013 0.000 2.117 224 R HA -0.146 4.190 4.340 -0.006 0.000 0.243 224 R C 2.154 178.449 176.300 -0.007 0.000 1.143 224 R CA 1.641 57.733 56.100 -0.013 0.000 0.968 224 R CB -0.043 30.248 30.300 -0.015 0.000 0.863 224 R HN 0.251 8.521 8.270 -0.000 0.000 0.444 225 R N 0.529 121.027 120.500 -0.004 0.000 2.313 225 R HA -0.009 4.327 4.340 -0.006 0.000 0.199 225 R C 1.505 177.813 176.300 0.014 0.000 0.958 225 R CA 0.535 56.634 56.100 -0.003 0.000 1.047 225 R CB -0.178 30.120 30.300 -0.004 0.000 0.955 225 R HN 0.294 8.564 8.270 -0.000 0.000 0.481 226 L N 0.742 121.979 121.223 0.023 0.000 2.376 226 L HA -0.009 4.328 4.340 -0.006 0.000 0.219 226 L C 1.992 178.893 176.870 0.051 0.000 1.133 226 L CA 0.591 55.459 54.840 0.047 0.000 0.816 226 L CB -0.292 41.793 42.059 0.043 0.000 0.933 226 L HN 0.181 8.411 8.230 -0.000 0.000 0.449 227 L N -0.115 121.120 121.223 0.020 0.000 2.456 227 L HA -0.129 4.207 4.340 -0.006 0.000 0.224 227 L C 1.444 178.256 176.870 -0.097 0.000 1.148 227 L CA 0.548 55.398 54.840 0.017 0.000 0.825 227 L CB -0.469 41.593 42.059 0.004 0.000 0.937 227 L HN 0.366 8.596 8.230 -0.000 0.000 0.450 228 N N 0.607 119.250 118.700 -0.096 0.000 2.370 228 N HA 0.046 4.783 4.740 -0.006 0.000 0.198 228 N C 0.336 175.908 175.510 0.104 0.000 1.156 228 N CA -0.041 52.907 53.050 -0.171 0.000 0.839 228 N CB 0.166 38.611 38.487 -0.070 0.000 0.989 228 N HN 0.141 8.521 8.380 -0.000 0.000 0.468 229 L N 0.822 122.151 121.223 0.176 0.000 2.559 229 L HA 0.175 4.511 4.340 -0.006 0.000 0.274 229 L C 1.302 178.414 176.870 0.404 0.000 1.205 229 L CA 0.823 55.825 54.840 0.270 0.000 0.907 229 L CB -0.161 42.035 42.059 0.227 0.000 1.153 229 L HN 0.413 8.643 8.230 -0.000 0.000 0.490 230 G N 3.072 112.092 108.800 0.367 0.000 2.184 230 G HA2 -0.360 3.596 3.960 -0.006 0.000 0.264 230 G HA3 -0.360 3.596 3.960 -0.006 0.000 0.264 230 G C 0.836 175.893 174.900 0.262 0.000 0.975 230 G CA 0.815 46.111 45.100 0.327 0.000 0.642 230 G HN 0.834 9.124 8.290 -0.000 0.000 0.536 231 H N -0.161 119.007 119.070 0.164 0.000 2.544 231 H HA 0.205 4.757 4.556 -0.006 0.000 0.269 231 H C 2.697 178.089 175.328 0.107 0.000 0.970 231 H CA 1.674 57.803 56.048 0.136 0.000 1.219 231 H CB 0.090 29.932 29.762 0.133 0.000 1.421 231 H HN 0.400 8.680 8.280 -0.000 0.000 0.555 232 T N 0.724 115.379 114.554 0.169 0.000 2.701 232 T HA -0.119 4.227 4.350 -0.006 0.000 0.263 232 T C 1.977 176.692 174.700 0.026 0.000 1.040 232 T CA 1.227 63.303 62.100 -0.040 0.000 1.147 232 T CB -0.291 68.314 68.868 -0.439 0.000 0.865 232 T HN 0.138 8.378 8.240 -0.000 0.000 0.426 233 L N 1.330 122.637 121.223 0.139 0.000 2.131 233 L HA 0.275 4.611 4.340 -0.006 0.000 0.206 233 L C 2.515 179.383 176.870 -0.003 0.000 1.087 233 L CA 1.701 56.548 54.840 0.013 0.000 0.767 233 L CB -1.214 40.771 42.059 -0.123 0.000 0.917 233 L HN 0.275 8.505 8.230 -0.000 0.000 0.441 234 G N -1.443 107.392 108.800 0.058 0.000 2.476 234 G HA2 -0.415 3.541 3.960 -0.006 0.000 0.218 234 G HA3 -0.415 3.541 3.960 -0.006 0.000 0.218 234 G C 1.574 176.489 174.900 0.025 0.000 1.164 234 G CA 1.175 46.286 45.100 0.018 0.000 0.768 234 G HN 0.616 8.906 8.290 -0.000 0.000 0.560 235 H N 1.125 120.195 119.070 -0.002 0.000 2.352 235 H HA 0.102 4.654 4.556 -0.006 0.000 0.299 235 H C 2.655 177.955 175.328 -0.047 0.000 1.097 235 H CA 1.949 58.011 56.048 0.025 0.000 1.311 235 H CB -0.276 29.521 29.762 0.059 0.000 1.377 235 H HN 0.300 8.580 8.280 -0.000 0.000 0.504 236 A N 0.402 123.175 122.820 -0.080 0.000 1.933 236 A HA -0.084 4.232 4.320 -0.006 0.000 0.218 236 A C 2.510 179.817 177.584 -0.461 0.000 1.175 236 A CA 1.478 53.380 52.037 -0.226 0.000 0.628 236 A CB -0.754 18.182 19.000 -0.106 0.000 0.814 236 A HN 0.482 8.632 8.150 -0.000 0.000 0.444 237 L N -0.964 120.090 121.223 -0.282 0.000 2.072 237 L HA -0.160 4.177 4.340 -0.006 0.000 0.205 237 L C 2.573 179.274 176.870 -0.281 0.000 1.079 237 L CA 1.436 56.126 54.840 -0.251 0.000 0.752 237 L CB -0.575 41.429 42.059 -0.092 0.000 0.906 237 L HN 0.445 8.675 8.230 -0.000 0.000 0.436 238 E N 0.218 120.272 120.200 -0.244 0.000 2.110 238 E HA -0.223 4.123 4.350 -0.006 0.000 0.193 238 E C 2.287 178.572 176.600 -0.526 0.000 0.988 238 E CA 1.177 57.431 56.400 -0.243 0.000 0.804 238 E CB -0.117 29.533 29.700 -0.084 0.000 0.745 238 E HN 0.499 8.859 8.360 -0.000 0.000 0.458 239 A N 1.123 123.567 122.820 -0.628 0.000 1.898 239 A HA -0.230 4.087 4.320 -0.006 0.000 0.216 239 A C 2.111 179.345 177.584 -0.583 0.000 1.181 239 A CA 1.333 52.976 52.037 -0.656 0.000 0.620 239 A CB -0.436 18.332 19.000 -0.385 0.000 0.819 239 A HN 0.192 8.342 8.150 -0.000 0.000 0.442 240 Q N -0.065 119.246 119.800 -0.816 0.000 2.167 240 Q HA -0.147 4.189 4.340 -0.006 0.000 0.202 240 Q C 1.704 177.532 176.000 -0.287 0.000 0.970 240 Q CA 1.900 57.340 55.803 -0.606 0.000 0.855 240 Q CB -0.233 28.120 28.738 -0.642 0.000 0.911 240 Q HN 0.731 9.001 8.270 -0.000 0.000 0.438 241 T N -2.830 111.561 114.554 -0.272 0.000 3.169 241 T HA 0.171 4.517 4.350 -0.006 0.000 0.250 241 T C 0.252 174.878 174.700 -0.124 0.000 1.111 241 T CA 0.012 62.020 62.100 -0.153 0.000 1.010 241 T CB 0.108 68.910 68.868 -0.109 0.000 0.984 241 T HN 0.249 8.489 8.240 -0.000 0.000 0.537 242 R N 0.614 121.000 120.500 -0.191 0.000 3.770 242 R HA -0.200 4.137 4.340 -0.006 0.000 0.305 242 R C 0.171 176.486 176.300 0.026 0.000 1.184 242 R CA 0.952 56.995 56.100 -0.095 0.000 0.823 242 R CB -3.148 27.153 30.300 0.003 0.000 1.285 242 R HN 0.891 9.161 8.270 -0.000 0.000 0.499 243 H N -4.662 114.383 119.070 -0.041 0.000 3.109 243 H HA -0.237 4.315 4.556 -0.006 0.000 0.245 243 H C 1.281 176.606 175.328 -0.005 0.000 1.187 243 H CA 0.996 57.031 56.048 -0.022 0.000 1.136 243 H CB -1.423 28.332 29.762 -0.012 0.000 1.243 243 H HN 0.477 8.757 8.280 -0.000 0.000 0.328 244 A N 0.412 123.271 122.820 0.065 0.000 1.968 244 A HA 0.088 4.405 4.320 -0.006 0.000 0.217 244 A C 1.188 178.801 177.584 0.048 0.000 1.169 244 A CA 0.785 52.851 52.037 0.048 0.000 0.638 244 A CB 0.123 19.136 19.000 0.021 0.000 0.812 244 A HN 0.251 8.401 8.150 -0.000 0.000 0.446 245 L N 1.796 123.042 121.223 0.038 0.000 2.433 245 L HA 0.333 4.669 4.340 -0.006 0.000 0.275 245 L C -2.557 174.359 176.870 0.077 0.000 1.128 245 L CA -2.092 52.782 54.840 0.056 0.000 0.875 245 L CB 0.200 42.290 42.059 0.050 0.000 1.171 245 L HN -0.033 8.197 8.230 -0.000 0.000 0.463 246 P HA -0.007 4.413 4.420 -0.000 0.000 0.265 246 P C 0.140 177.502 177.300 0.103 0.000 1.187 246 P CA 0.225 63.378 63.100 0.087 0.000 0.766 246 P CB 0.476 32.210 31.700 0.057 0.000 0.820 247 H N 2.896 121.993 119.070 0.045 0.000 2.321 247 H HA -0.190 4.363 4.556 -0.006 0.000 0.295 247 H C 2.087 177.424 175.328 0.014 0.000 1.102 247 H CA 2.763 58.834 56.048 0.038 0.000 1.266 247 H CB -0.746 29.047 29.762 0.052 0.000 1.363 247 H HN 0.554 8.834 8.280 -0.000 0.000 0.492 248 G N -0.074 108.719 108.800 -0.011 0.000 2.422 248 G HA2 -0.235 3.721 3.960 -0.006 0.000 0.218 248 G HA3 -0.235 3.721 3.960 -0.006 0.000 0.218 248 G C 1.497 176.327 174.900 -0.117 0.000 1.146 248 G CA 1.050 46.102 45.100 -0.080 0.000 0.769 248 G HN 0.305 8.595 8.290 -0.000 0.000 0.547 249 M N 1.116 120.670 119.600 -0.078 0.000 2.132 249 M HA 0.128 4.604 4.480 -0.006 0.000 0.263 249 M C 3.004 179.276 176.300 -0.047 0.000 1.065 249 M CA 1.134 56.371 55.300 -0.104 0.000 1.122 249 M CB -1.311 31.268 32.600 -0.036 0.000 1.365 249 M HN 0.299 8.589 8.290 -0.000 0.000 0.411 250 A N 0.061 122.890 122.820 0.015 0.000 1.902 250 A HA -0.075 4.242 4.320 -0.006 0.000 0.217 250 A C 2.476 180.057 177.584 -0.004 0.000 1.181 250 A CA 1.692 53.780 52.037 0.086 0.000 0.623 250 A CB -0.977 18.016 19.000 -0.013 0.000 0.818 250 A HN 0.286 8.436 8.150 -0.000 0.000 0.443 251 V N -0.127 119.659 119.914 -0.213 0.000 2.343 251 V HA -0.258 3.858 4.120 -0.006 0.000 0.247 251 V C 3.062 179.135 176.094 -0.035 0.000 1.051 251 V CA 1.909 64.078 62.300 -0.219 0.000 1.036 251 V CB -1.255 30.370 31.823 -0.329 0.000 0.654 251 V HN 0.624 8.814 8.190 -0.000 0.000 0.451 252 A N -1.127 121.646 122.820 -0.078 0.000 1.908 252 A HA -0.262 4.055 4.320 -0.006 0.000 0.218 252 A C 2.093 179.686 177.584 0.015 0.000 1.181 252 A CA 2.061 54.036 52.037 -0.103 0.000 0.627 252 A CB -0.849 18.002 19.000 -0.248 0.000 0.818 252 A HN 0.611 8.761 8.150 -0.000 0.000 0.445 253 Y N -0.285 120.088 120.300 0.122 0.000 2.224 253 Y HA -0.119 4.427 4.550 -0.006 0.000 0.289 253 Y C 2.782 178.934 175.900 0.420 0.000 1.146 253 Y CA 0.647 58.930 58.100 0.304 0.000 1.182 253 Y CB -0.394 38.274 38.460 0.347 0.000 0.983 253 Y HN 0.406 8.686 8.280 -0.000 0.000 0.524 254 G N -0.238 108.798 108.800 0.393 0.000 2.422 254 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.218 254 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.218 254 G C 1.551 176.662 174.900 0.351 0.000 1.140 254 G CA 0.662 45.952 45.100 0.317 0.000 0.775 254 G HN 0.309 8.599 8.290 -0.000 0.000 0.545 255 L N -0.375 121.020 121.223 0.286 0.000 2.093 255 L HA 0.004 4.341 4.340 -0.006 0.000 0.208 255 L C 2.650 179.693 176.870 0.289 0.000 1.085 255 L CA 0.382 55.382 54.840 0.268 0.000 0.755 255 L CB -0.352 41.834 42.059 0.212 0.000 0.904 255 L HN 0.233 8.463 8.230 -0.000 0.000 0.435 256 L N -1.031 120.398 121.223 0.343 0.000 2.056 256 L HA -0.252 4.085 4.340 -0.006 0.000 0.207 256 L C 2.457 179.599 176.870 0.453 0.000 1.078 256 L CA 1.756 56.815 54.840 0.365 0.000 0.749 256 L CB -0.716 41.579 42.059 0.393 0.000 0.901 256 L HN 0.132 8.362 8.230 -0.000 0.000 0.433 257 Y N 0.211 120.748 120.300 0.396 0.000 2.181 257 Y HA -0.186 4.360 4.550 -0.006 0.000 0.288 257 Y C 2.424 178.395 175.900 0.119 0.000 1.146 257 Y CA 1.666 59.876 58.100 0.182 0.000 1.164 257 Y CB -0.644 37.746 38.460 -0.116 0.000 0.982 257 Y HN 0.266 8.546 8.280 -0.000 0.000 0.515 258 A N 0.309 123.257 122.820 0.213 0.000 1.908 258 A HA -0.155 4.161 4.320 -0.006 0.000 0.218 258 A C 2.440 180.051 177.584 0.045 0.000 1.181 258 A CA 2.023 54.132 52.037 0.120 0.000 0.627 258 A CB -1.504 17.632 19.000 0.226 0.000 0.818 258 A HN 0.573 8.723 8.150 -0.000 0.000 0.445 259 A N -0.367 122.514 122.820 0.102 0.000 1.933 259 A HA -0.050 4.266 4.320 -0.006 0.000 0.218 259 A C 2.155 179.747 177.584 0.014 0.000 1.175 259 A CA 1.538 53.622 52.037 0.079 0.000 0.628 259 A CB -0.572 18.502 19.000 0.124 0.000 0.814 259 A HN 0.485 8.635 8.150 -0.000 0.000 0.444 260 L N -0.748 120.465 121.223 -0.017 0.000 2.093 260 L HA -0.124 4.212 4.340 -0.006 0.000 0.208 260 L C 2.474 179.240 176.870 -0.173 0.000 1.085 260 L CA 0.726 55.521 54.840 -0.075 0.000 0.755 260 L CB -0.455 41.572 42.059 -0.054 0.000 0.904 260 L HN 0.368 8.598 8.230 -0.000 0.000 0.435 261 L N -0.580 120.474 121.223 -0.281 0.000 2.056 261 L HA -0.112 4.224 4.340 -0.006 0.000 0.207 261 L C 2.682 179.463 176.870 -0.148 0.000 1.078 261 L CA 1.353 56.016 54.840 -0.295 0.000 0.749 261 L CB -1.152 40.683 42.059 -0.374 0.000 0.901 261 L HN 0.307 8.537 8.230 -0.000 0.000 0.433 262 G N -0.362 108.388 108.800 -0.084 0.000 2.418 262 G HA2 -0.275 3.682 3.960 -0.006 0.000 0.217 262 G HA3 -0.275 3.682 3.960 -0.006 0.000 0.217 262 G C 1.756 176.635 174.900 -0.035 0.000 1.158 262 G CA 0.592 45.670 45.100 -0.036 0.000 0.771 262 G HN 0.235 8.525 8.290 -0.000 0.000 0.545 263 R N 0.496 120.974 120.500 -0.037 0.000 2.081 263 R HA 0.011 4.348 4.340 -0.006 0.000 0.235 263 R C 2.848 179.124 176.300 -0.040 0.000 1.131 263 R CA 1.418 57.502 56.100 -0.028 0.000 0.960 263 R CB -0.378 29.910 30.300 -0.020 0.000 0.856 263 R HN 0.284 8.554 8.270 -0.000 0.000 0.436 264 A N 0.720 123.501 122.820 -0.064 0.000 2.019 264 A HA -0.072 4.245 4.320 -0.006 0.000 0.219 264 A C 1.861 179.410 177.584 -0.058 0.000 1.164 264 A CA 0.954 52.950 52.037 -0.069 0.000 0.644 264 A CB -0.246 18.693 19.000 -0.102 0.000 0.805 264 A HN 0.346 8.496 8.150 -0.000 0.000 0.449 265 L N -0.970 120.219 121.223 -0.057 0.000 2.653 265 L HA 0.231 4.568 4.340 -0.006 0.000 0.232 265 L C 1.454 178.308 176.870 -0.026 0.000 1.169 265 L CA 0.413 55.227 54.840 -0.042 0.000 0.951 265 L CB -0.305 41.728 42.059 -0.043 0.000 1.181 265 L HN 0.567 8.796 8.230 -0.000 0.000 0.460 266 G N 0.002 108.787 108.800 -0.024 0.000 2.136 266 G HA2 -0.226 3.731 3.960 -0.006 0.000 0.242 266 G HA3 -0.226 3.731 3.960 -0.006 0.000 0.242 266 G C 0.547 175.441 174.900 -0.010 0.000 0.989 266 G CA -0.059 45.032 45.100 -0.015 0.000 0.682 266 G HN 0.521 8.811 8.290 -0.000 0.000 0.522 267 G N -0.708 108.086 108.800 -0.009 0.000 2.616 267 G HA2 0.552 4.508 3.960 -0.006 0.000 0.268 267 G HA3 0.552 4.508 3.960 -0.006 0.000 0.268 267 G C 0.209 175.110 174.900 0.001 0.000 1.213 267 G CA -0.232 44.867 45.100 -0.002 0.000 0.926 267 G HN 0.517 8.807 8.290 -0.000 0.000 0.523 268 E N -0.421 119.783 120.200 0.006 0.000 2.408 268 E HA 0.049 4.395 4.350 -0.006 0.000 0.259 268 E C -0.700 175.908 176.600 0.013 0.000 1.110 268 E CA -0.250 56.155 56.400 0.008 0.000 0.929 268 E CB 0.820 30.525 29.700 0.008 0.000 0.971 268 E HN 0.411 8.771 8.360 -0.000 0.000 0.438 269 D N 1.748 122.157 120.400 0.014 0.000 2.346 269 D HA 0.020 4.657 4.640 -0.006 0.000 0.260 269 D C -0.127 176.193 176.300 0.033 0.000 1.252 269 D CA 0.265 54.278 54.000 0.021 0.000 0.895 269 D CB 0.299 41.110 40.800 0.018 0.000 1.097 269 D HN 0.319 8.689 8.370 -0.000 0.000 0.489 270 L N 4.228 125.479 121.223 0.047 0.000 2.857 270 L HA 0.086 4.422 4.340 -0.006 0.000 0.249 270 L C 1.547 178.474 176.870 0.096 0.000 1.172 270 L CA -0.416 54.467 54.840 0.071 0.000 0.980 270 L CB 0.273 42.380 42.059 0.080 0.000 1.299 270 L HN 0.431 8.661 8.230 -0.000 0.000 0.535 271 L N 0.622 121.889 121.223 0.073 0.000 2.093 271 L HA -0.046 4.290 4.340 -0.006 0.000 0.208 271 L C -0.015 176.899 176.870 0.074 0.000 1.085 271 L CA 1.934 56.819 54.840 0.074 0.000 0.755 271 L CB -2.038 40.052 42.059 0.051 0.000 0.904 271 L HN 0.169 8.399 8.230 -0.000 0.000 0.435 272 P HA -0.105 4.315 4.420 -0.000 0.000 0.214 272 P C -1.224 176.128 177.300 0.088 0.000 1.163 272 P CA 1.676 64.812 63.100 0.060 0.000 0.883 272 P CB -1.025 30.703 31.700 0.048 0.000 0.788 273 P HA -0.119 4.301 4.420 -0.000 0.000 0.215 273 P C 1.530 178.986 177.300 0.260 0.000 1.153 273 P CA 1.199 64.436 63.100 0.229 0.000 0.853 273 P CB -0.465 31.392 31.700 0.261 0.000 0.788 274 V N -0.279 119.761 119.914 0.210 0.000 2.453 274 V HA -0.175 3.942 4.120 -0.006 0.000 0.247 274 V C 2.450 178.534 176.094 -0.016 0.000 1.048 274 V CA 1.571 63.906 62.300 0.059 0.000 1.049 274 V CB -0.949 30.946 31.823 0.121 0.000 0.672 274 V HN 0.068 8.258 8.190 -0.000 0.000 0.457 275 R N -0.102 120.413 120.500 0.026 0.000 2.073 275 R HA -0.111 4.226 4.340 -0.006 0.000 0.234 275 R C 2.564 178.863 176.300 -0.001 0.000 1.134 275 R CA 1.360 57.463 56.100 0.005 0.000 0.952 275 R CB -0.383 29.927 30.300 0.015 0.000 0.850 275 R HN 0.438 8.708 8.270 -0.000 0.000 0.433 276 R N 0.651 121.162 120.500 0.018 0.000 2.083 276 R HA -0.173 4.163 4.340 -0.006 0.000 0.237 276 R C 2.405 178.719 176.300 0.022 0.000 1.137 276 R CA 1.449 57.565 56.100 0.027 0.000 0.951 276 R CB -0.584 29.737 30.300 0.036 0.000 0.851 276 R HN 0.118 8.389 8.270 -0.000 0.000 0.434 277 L N 1.291 122.471 121.223 -0.072 0.000 2.013 277 L HA -0.196 4.141 4.340 -0.006 0.000 0.212 277 L C 2.019 178.885 176.870 -0.006 0.000 1.073 277 L CA 1.737 56.490 54.840 -0.144 0.000 0.753 277 L CB -0.417 41.266 42.059 -0.627 0.000 0.890 277 L HN 0.160 8.390 8.230 -0.000 0.000 0.432 278 L N -1.384 119.791 121.223 -0.080 0.000 2.093 278 L HA -0.212 4.125 4.340 -0.006 0.000 0.208 278 L C 2.482 179.322 176.870 -0.051 0.000 1.085 278 L CA 1.041 55.820 54.840 -0.102 0.000 0.755 278 L CB -0.481 41.504 42.059 -0.123 0.000 0.904 278 L HN 0.335 8.565 8.230 -0.000 0.000 0.435 279 L N -1.739 119.488 121.223 0.007 0.000 2.072 279 L HA -0.208 4.129 4.340 -0.006 0.000 0.205 279 L C 2.419 179.327 176.870 0.064 0.000 1.079 279 L CA 1.295 56.148 54.840 0.022 0.000 0.752 279 L CB -0.562 41.519 42.059 0.038 0.000 0.906 279 L HN 0.429 8.659 8.230 -0.000 0.000 0.436 280 W N 0.694 121.948 121.300 -0.077 0.000 2.388 280 W HA -0.205 4.452 4.660 -0.006 0.000 0.294 280 W C 2.184 178.661 176.519 -0.069 0.000 1.212 280 W CA 1.002 58.310 57.345 -0.062 0.000 1.271 280 W CB -0.074 29.351 29.460 -0.058 0.000 1.126 280 W HN 0.004 8.184 8.180 -0.000 0.000 0.535 281 L N 1.516 122.678 121.223 -0.103 0.000 2.109 281 L HA 0.038 4.374 4.340 -0.006 0.000 0.207 281 L C 1.418 178.106 176.870 -0.303 0.000 1.086 281 L CA 2.056 56.693 54.840 -0.339 0.000 0.760 281 L CB -0.850 41.115 42.059 -0.156 0.000 0.910 281 L HN -0.011 8.219 8.230 -0.000 0.000 0.437 282 S N 0.132 115.713 115.700 -0.198 0.000 3.697 282 S HA -0.091 4.375 4.470 -0.006 0.000 0.388 282 S C -2.131 172.380 174.600 -0.148 0.000 0.941 282 S CA 0.296 58.403 58.200 -0.155 0.000 1.247 282 S CB -1.848 61.259 63.200 -0.155 0.000 0.904 282 S HN 0.515 8.825 8.310 -0.000 0.000 0.518 283 P HA 0.269 4.689 4.420 -0.000 0.000 0.272 283 P C -2.413 174.876 177.300 -0.019 0.000 1.223 283 P CA -1.178 61.827 63.100 -0.159 0.000 0.784 283 P CB -0.168 31.276 31.700 -0.427 0.000 0.923 284 P HA 0.238 4.658 4.420 -0.000 0.000 0.271 284 P C -2.504 174.870 177.300 0.125 0.000 1.216 284 P CA -1.469 61.667 63.100 0.061 0.000 0.771 284 P CB -0.865 30.864 31.700 0.048 0.000 0.864 285 P HA 0.083 4.503 4.420 -0.000 0.000 0.266 285 P C -0.101 177.197 177.300 -0.003 0.000 1.193 285 P CA 0.505 63.625 63.100 0.034 0.000 0.770 285 P CB 0.347 32.046 31.700 -0.003 0.000 0.836 286 L N 4.498 125.672 121.223 -0.082 0.000 2.375 286 L HA 0.510 4.847 4.340 -0.006 0.000 0.268 286 L C -1.708 175.117 176.870 -0.075 0.000 1.058 286 L CA -2.062 52.706 54.840 -0.121 0.000 0.803 286 L CB 0.736 42.640 42.059 -0.259 0.000 1.212 286 L HN 0.293 8.524 8.230 -0.000 0.000 0.451 287 P HA 0.255 4.675 4.420 -0.000 0.000 0.279 287 P C -2.683 174.612 177.300 -0.007 0.000 1.252 287 P CA -1.643 61.441 63.100 -0.027 0.000 0.811 287 P CB 0.131 31.815 31.700 -0.026 0.000 1.035 288 P HA 0.053 4.473 4.420 -0.000 0.000 0.265 288 P C -0.940 176.405 177.300 0.076 0.000 1.187 288 P CA 0.448 63.570 63.100 0.035 0.000 0.766 288 P CB 0.184 31.903 31.700 0.031 0.000 0.820 289 L N 0.213 121.523 121.223 0.145 0.000 2.482 289 L HA 0.856 5.193 4.340 -0.006 0.000 0.263 289 L C -0.616 176.466 176.870 0.354 0.000 0.957 289 L CA -1.420 53.556 54.840 0.227 0.000 0.836 289 L CB 1.157 43.395 42.059 0.298 0.000 1.324 289 L HN 0.389 8.619 8.230 -0.000 0.000 0.406 290 A N 1.229 124.210 122.820 0.268 0.000 2.337 290 A HA 0.691 5.007 4.320 -0.006 0.000 0.331 290 A C 0.357 178.043 177.584 0.171 0.000 1.137 290 A CA -0.470 51.747 52.037 0.300 0.000 0.807 290 A CB 0.636 19.741 19.000 0.175 0.000 1.250 290 A HN 0.786 8.936 8.150 -0.000 0.000 0.468 291 F N 0.948 120.917 119.950 0.031 0.000 2.161 291 F HA -0.155 4.368 4.527 -0.006 0.000 0.300 291 F C 1.779 177.473 175.800 -0.176 0.000 1.089 291 F CA 2.557 60.377 58.000 -0.301 0.000 1.282 291 F CB -0.023 38.921 39.000 -0.092 0.000 1.010 291 F HN 0.768 9.068 8.300 -0.000 0.000 0.485 292 E N -0.066 120.114 120.200 -0.033 0.000 2.150 292 E HA -0.168 4.179 4.350 -0.006 0.000 0.193 292 E C 1.599 178.113 176.600 -0.143 0.000 0.985 292 E CA 1.467 57.810 56.400 -0.096 0.000 0.814 292 E CB -0.397 29.316 29.700 0.022 0.000 0.752 292 E HN 0.439 8.799 8.360 -0.000 0.000 0.466 293 D N -0.308 120.037 120.400 -0.090 0.000 2.340 293 D HA -0.010 4.627 4.640 -0.006 0.000 0.220 293 D C 1.516 177.790 176.300 -0.043 0.000 1.039 293 D CA 0.138 54.111 54.000 -0.045 0.000 0.866 293 D CB 0.320 41.138 40.800 0.030 0.000 0.913 293 D HN 0.115 8.485 8.370 -0.000 0.000 0.523 294 L N 0.417 121.508 121.223 -0.220 0.000 2.130 294 L HA 0.042 4.378 4.340 -0.006 0.000 0.200 294 L C 2.142 178.876 176.870 -0.227 0.000 1.075 294 L CA 0.992 55.679 54.840 -0.255 0.000 0.768 294 L CB -0.467 41.204 42.059 -0.648 0.000 0.933 294 L HN -0.118 8.112 8.230 -0.000 0.000 0.451 295 L N 0.093 121.071 121.223 -0.408 0.000 2.082 295 L HA -0.296 4.040 4.340 -0.006 0.000 0.223 295 L C -0.111 176.639 176.870 -0.199 0.000 1.086 295 L CA 2.015 56.668 54.840 -0.312 0.000 0.793 295 L CB -2.377 39.496 42.059 -0.311 0.000 0.896 295 L HN 0.276 8.506 8.230 -0.000 0.000 0.441 296 P HA -0.216 4.204 4.420 -0.000 0.000 0.216 296 P C 1.212 178.315 177.300 -0.329 0.000 1.157 296 P CA 1.681 64.588 63.100 -0.321 0.000 0.880 296 P CB -0.104 31.308 31.700 -0.479 0.000 0.791 297 Y N -1.885 118.343 120.300 -0.120 0.000 2.561 297 Y HA 0.052 4.599 4.550 -0.006 0.000 0.291 297 Y C 1.514 177.375 175.900 -0.066 0.000 1.141 297 Y CA -0.070 57.978 58.100 -0.087 0.000 1.303 297 Y CB -0.565 37.821 38.460 -0.123 0.000 1.015 297 Y HN -0.084 8.195 8.280 -0.000 0.000 0.547 309 L N 3.074 124.365 121.223 0.113 0.000 2.371 309 L HA 0.841 5.177 4.340 -0.006 0.000 0.272 309 L C -0.486 176.463 176.870 0.132 0.000 1.124 309 L CA -0.129 54.740 54.840 0.048 0.000 0.816 309 L CB -0.341 41.645 42.059 -0.122 0.000 1.129 309 L HN 0.222 8.452 8.230 -0.000 0.000 0.448 310 H N 0.771 119.761 119.070 -0.132 0.000 2.469 310 H HA 0.627 5.179 4.556 -0.006 0.000 0.342 310 H C -1.372 173.903 175.328 -0.088 0.000 1.115 310 H CA -0.214 55.826 56.048 -0.012 0.000 1.204 310 H CB 1.106 30.874 29.762 0.011 0.000 1.492 310 H HN 0.651 8.931 8.280 -0.000 0.000 0.499 311 W N 2.146 123.520 121.300 0.123 0.000 2.627 311 W HA 0.529 5.186 4.660 -0.005 0.000 0.339 311 W C -0.645 175.938 176.519 0.107 0.000 1.058 311 W CA -0.904 56.511 57.345 0.118 0.000 1.223 311 W CB 1.069 30.592 29.460 0.104 0.000 1.389 311 W HN 0.236 8.416 8.180 -0.000 0.000 0.541 312 V N 4.085 124.205 119.914 0.344 0.000 2.389 312 V HA 0.230 4.346 4.120 -0.006 0.000 0.264 312 V C -0.191 176.041 176.094 0.230 0.000 1.049 312 V CA -0.742 61.698 62.300 0.234 0.000 0.932 312 V CB 0.205 32.141 31.823 0.189 0.000 1.011 312 V HN 0.326 8.516 8.190 -0.000 0.000 0.475 313 V N 8.606 128.621 119.914 0.168 0.000 2.370 313 V HA 0.391 4.508 4.120 -0.006 0.000 0.283 313 V C -2.127 174.017 176.094 0.085 0.000 1.023 313 V CA -1.789 60.578 62.300 0.111 0.000 0.857 313 V CB 2.054 33.915 31.823 0.063 0.000 0.985 313 V HN 0.715 8.905 8.190 -0.000 0.000 0.443 314 P HA 0.331 4.751 4.420 -0.000 0.000 0.288 314 P C 0.346 177.671 177.300 0.043 0.000 1.363 314 P CA -0.206 62.934 63.100 0.067 0.000 0.837 314 P CB 1.379 33.131 31.700 0.086 0.000 0.981 315 L N 2.260 123.502 121.223 0.032 0.000 2.375 315 L HA 0.332 4.668 4.340 -0.006 0.000 0.215 315 L C 1.123 178.003 176.870 0.017 0.000 1.108 315 L CA 0.642 55.494 54.840 0.019 0.000 0.830 315 L CB -0.058 42.010 42.059 0.015 0.000 0.959 315 L HN 0.426 8.656 8.230 -0.000 0.000 0.457 316 A N -1.276 121.555 122.820 0.018 0.000 2.590 316 A HA 0.550 4.867 4.320 -0.006 0.000 0.294 316 A C -2.801 174.787 177.584 0.007 0.000 1.046 316 A CA -0.915 51.129 52.037 0.011 0.000 0.684 316 A CB 0.481 19.485 19.000 0.006 0.000 1.279 316 A HN -0.251 7.899 8.150 -0.000 0.000 0.415 317 P HA 0.314 4.734 4.420 -0.000 0.000 0.260 317 P C 1.135 178.427 177.300 -0.014 0.000 1.185 317 P CA 2.414 65.503 63.100 -0.019 0.000 0.763 317 P CB 0.573 32.250 31.700 -0.039 0.000 0.776 318 G N 3.006 111.800 108.800 -0.010 0.000 2.225 318 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.254 318 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.254 318 G C 0.409 175.310 174.900 0.002 0.000 0.988 318 G CA -0.113 44.983 45.100 -0.008 0.000 0.625 318 G HN 0.651 8.941 8.290 -0.000 0.000 0.527 319 R N 0.151 120.655 120.500 0.008 0.000 2.363 319 R HA 0.653 4.990 4.340 -0.006 0.000 0.297 319 R C -0.843 175.471 176.300 0.024 0.000 1.208 319 R CA -0.569 55.538 56.100 0.013 0.000 1.121 319 R CB 0.115 30.420 30.300 0.009 0.000 1.124 319 R HN 0.144 8.414 8.270 -0.000 0.000 0.561 320 L N 3.260 124.503 121.223 0.032 0.000 2.301 320 L HA 0.641 4.977 4.340 -0.006 0.000 0.264 320 L C -0.535 176.365 176.870 0.051 0.000 1.016 320 L CA -1.020 53.849 54.840 0.047 0.000 0.821 320 L CB 2.037 44.133 42.059 0.062 0.000 1.346 320 L HN 0.303 8.533 8.230 -0.000 0.000 0.429 321 V N -1.535 118.417 119.914 0.064 0.000 2.962 321 V HA 0.859 4.975 4.120 -0.006 0.000 0.313 321 V C -1.018 175.138 176.094 0.103 0.000 1.099 321 V CA -0.801 61.542 62.300 0.070 0.000 0.971 321 V CB 2.103 33.960 31.823 0.056 0.000 1.028 321 V HN 0.364 8.554 8.190 -0.000 0.000 0.430 322 V N 4.396 124.381 119.914 0.118 0.000 2.409 322 V HA 0.895 5.011 4.120 -0.006 0.000 0.291 322 V C 0.014 176.225 176.094 0.196 0.000 1.020 322 V CA -0.324 62.080 62.300 0.173 0.000 0.848 322 V CB 1.291 33.214 31.823 0.167 0.000 0.990 322 V HN 1.252 9.442 8.190 -0.000 0.000 0.430 323 R N 4.638 125.231 120.500 0.154 0.000 2.774 323 R HA 0.590 4.927 4.340 -0.006 0.000 0.279 323 R C -3.340 172.866 176.300 -0.157 0.000 1.022 323 R CA -1.503 54.568 56.100 -0.048 0.000 0.855 323 R CB 1.564 31.864 30.300 0.000 0.000 1.279 323 R HN 0.382 8.652 8.270 -0.000 0.000 0.485 324 P HA 0.362 4.782 4.420 -0.000 0.000 0.279 324 P C -0.921 176.388 177.300 0.016 0.000 1.252 324 P CA -0.524 62.502 63.100 -0.124 0.000 0.811 324 P CB 1.177 32.751 31.700 -0.210 0.000 1.035 325 L N 1.519 122.794 121.223 0.087 0.000 2.388 325 L HA 0.479 4.816 4.340 -0.006 0.000 0.264 325 L C -2.388 174.494 176.870 0.020 0.000 0.998 325 L CA -2.531 52.307 54.840 -0.004 0.000 0.817 325 L CB 1.962 43.937 42.059 -0.141 0.000 1.338 325 L HN 0.181 8.411 8.230 -0.000 0.000 0.414 326 P HA 0.006 4.426 4.420 -0.000 0.000 0.264 326 P C 0.450 177.762 177.300 0.019 0.000 1.193 326 P CA -0.053 63.053 63.100 0.010 0.000 0.763 326 P CB 0.710 32.403 31.700 -0.012 0.000 0.810 327 E N 2.579 122.821 120.200 0.070 0.000 2.171 327 E HA -0.217 4.130 4.350 -0.006 0.000 0.197 327 E C 1.960 178.559 176.600 -0.002 0.000 0.997 327 E CA 1.695 58.169 56.400 0.124 0.000 0.810 327 E CB -0.578 29.231 29.700 0.181 0.000 0.738 327 E HN 0.685 9.045 8.360 -0.000 0.000 0.467 328 G N 1.347 110.129 108.800 -0.029 0.000 2.432 328 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.219 328 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.219 328 G C 1.523 176.349 174.900 -0.123 0.000 1.135 328 G CA 0.707 45.758 45.100 -0.081 0.000 0.767 328 G HN 0.341 8.631 8.290 -0.000 0.000 0.550 329 L N -0.145 121.013 121.223 -0.108 0.000 2.072 329 L HA 0.154 4.490 4.340 -0.006 0.000 0.205 329 L C 2.769 179.527 176.870 -0.186 0.000 1.079 329 L CA 0.703 55.462 54.840 -0.136 0.000 0.752 329 L CB -0.119 41.862 42.059 -0.131 0.000 0.906 329 L HN 0.187 8.417 8.230 -0.000 0.000 0.436 330 L N -0.519 120.599 121.223 -0.175 0.000 2.046 330 L HA -0.220 4.117 4.340 -0.006 0.000 0.208 330 L C 2.787 179.500 176.870 -0.260 0.000 1.077 330 L CA 1.272 56.037 54.840 -0.125 0.000 0.747 330 L CB -0.627 41.495 42.059 0.106 0.000 0.896 330 L HN 0.278 8.508 8.230 -0.000 0.000 0.432 331 R N 0.418 120.511 120.500 -0.679 0.000 2.073 331 R HA -0.235 4.102 4.340 -0.006 0.000 0.234 331 R C 2.282 178.381 176.300 -0.336 0.000 1.134 331 R CA 1.865 57.347 56.100 -1.029 0.000 0.952 331 R CB -0.046 29.760 30.300 -0.822 0.000 0.850 331 R HN 0.259 8.529 8.270 -0.000 0.000 0.433 332 E N 0.134 120.210 120.200 -0.207 0.000 2.051 332 E HA -0.158 4.189 4.350 -0.006 0.000 0.192 332 E C 1.684 178.266 176.600 -0.030 0.000 0.991 332 E CA 1.749 58.093 56.400 -0.095 0.000 0.799 332 E CB -0.199 29.444 29.700 -0.094 0.000 0.748 332 E HN 0.426 8.786 8.360 -0.000 0.000 0.449 333 A N -0.212 122.576 122.820 -0.052 0.000 1.933 333 A HA -0.124 4.193 4.320 -0.006 0.000 0.218 333 A C 2.146 179.889 177.584 0.265 0.000 1.175 333 A CA 1.333 53.349 52.037 -0.034 0.000 0.628 333 A CB -0.916 17.870 19.000 -0.358 0.000 0.814 333 A HN 0.469 8.619 8.150 -0.000 0.000 0.444 334 F N 0.948 121.055 119.950 0.260 0.000 2.134 334 F HA -0.053 4.470 4.527 -0.006 0.000 0.299 334 F C 2.527 178.522 175.800 0.326 0.000 1.097 334 F CA 0.891 59.120 58.000 0.380 0.000 1.264 334 F CB -0.468 38.685 39.000 0.254 0.000 1.001 334 F HN 0.250 8.550 8.300 -0.000 0.000 0.479 335 A N 0.157 123.094 122.820 0.194 0.000 1.902 335 A HA -0.061 4.255 4.320 -0.006 0.000 0.217 335 A C 2.411 180.024 177.584 0.048 0.000 1.181 335 A CA 1.831 53.914 52.037 0.076 0.000 0.623 335 A CB -1.519 17.515 19.000 0.057 0.000 0.818 335 A HN 0.445 8.595 8.150 -0.000 0.000 0.443 336 A N -1.753 121.116 122.820 0.081 0.000 1.930 336 A HA -0.112 4.204 4.320 -0.006 0.000 0.217 336 A C 1.963 179.609 177.584 0.104 0.000 1.175 336 A CA 1.446 53.521 52.037 0.064 0.000 0.627 336 A CB -0.852 18.179 19.000 0.052 0.000 0.815 336 A HN 0.855 9.005 8.150 -0.000 0.000 0.443 337 W N 0.867 122.146 121.300 -0.034 0.000 2.355 337 W HA -0.191 4.465 4.660 -0.006 0.000 0.309 337 W C 2.337 178.777 176.519 -0.132 0.000 1.206 337 W CA 2.057 59.391 57.345 -0.018 0.000 1.284 337 W CB -0.175 29.355 29.460 0.117 0.000 1.145 337 W HN 0.232 8.412 8.180 -0.000 0.000 0.502 338 R N -0.056 120.397 120.500 -0.077 0.000 2.083 338 R HA -0.180 4.157 4.340 -0.006 0.000 0.237 338 R C 2.116 178.273 176.300 -0.240 0.000 1.137 338 R CA 1.752 57.678 56.100 -0.289 0.000 0.951 338 R CB -0.631 29.547 30.300 -0.204 0.000 0.851 338 R HN 0.171 8.441 8.270 -0.000 0.000 0.434 339 E N 0.664 120.786 120.200 -0.129 0.000 2.077 339 E HA -0.177 4.169 4.350 -0.006 0.000 0.193 339 E C 1.914 178.442 176.600 -0.120 0.000 0.989 339 E CA 0.950 57.291 56.400 -0.099 0.000 0.800 339 E CB -0.083 29.586 29.700 -0.051 0.000 0.746 339 E HN 0.339 8.699 8.360 -0.000 0.000 0.452 340 E N 0.519 120.641 120.200 -0.130 0.000 2.118 340 E HA -0.134 4.212 4.350 -0.006 0.000 0.195 340 E C 2.325 178.815 176.600 -0.184 0.000 0.992 340 E CA 0.648 56.972 56.400 -0.128 0.000 0.804 340 E CB -0.097 29.543 29.700 -0.100 0.000 0.741 340 E HN 0.301 8.661 8.360 -0.000 0.000 0.458 341 L N 0.320 121.355 121.223 -0.312 0.000 2.131 341 L HA -0.100 4.236 4.340 -0.006 0.000 0.206 341 L C 2.411 179.158 176.870 -0.205 0.000 1.087 341 L CA 0.833 55.486 54.840 -0.311 0.000 0.767 341 L CB -0.244 41.480 42.059 -0.559 0.000 0.917 341 L HN 0.005 8.235 8.230 -0.000 0.000 0.441 342 K N 0.395 120.679 120.400 -0.194 0.000 2.097 342 K HA -0.098 4.218 4.320 -0.006 0.000 0.206 342 K C 1.838 178.383 176.600 -0.092 0.000 1.049 342 K CA 1.285 57.495 56.287 -0.128 0.000 0.933 342 K CB -0.452 31.983 32.500 -0.109 0.000 0.717 342 K HN 0.338 8.588 8.250 -0.000 0.000 0.442 343 G N 0.430 109.176 108.800 -0.089 0.000 2.990 343 G HA2 -0.048 3.909 3.960 -0.006 0.000 0.206 343 G HA3 -0.048 3.909 3.960 -0.006 0.000 0.206 343 G C 0.940 175.805 174.900 -0.059 0.000 1.169 343 G CA 0.273 45.334 45.100 -0.064 0.000 0.819 343 G HN 0.143 8.433 8.290 -0.000 0.000 0.517 344 L N -1.545 119.636 121.223 -0.069 0.000 3.174 344 L HA 0.295 4.631 4.340 -0.006 0.000 0.283 344 L C 1.762 178.600 176.870 -0.052 0.000 1.187 344 L CA 0.283 55.088 54.840 -0.057 0.000 1.018 344 L CB 0.602 42.624 42.059 -0.063 0.000 1.433 344 L HN 0.239 8.469 8.230 -0.000 0.000 0.593 345 G N 1.007 109.771 108.800 -0.060 0.000 2.159 345 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.256 345 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.256 345 G C 0.667 175.536 174.900 -0.051 0.000 0.977 345 G CA 0.423 45.492 45.100 -0.051 0.000 0.652 345 G HN 0.284 8.574 8.290 -0.000 0.000 0.531 346 L N -1.076 120.111 121.223 -0.060 0.000 2.612 346 L HA 0.578 4.914 4.340 -0.006 0.000 0.230 346 L C 0.847 177.655 176.870 -0.104 0.000 1.140 346 L CA 0.235 55.054 54.840 -0.035 0.000 0.896 346 L CB 0.032 42.115 42.059 0.039 0.000 1.065 346 L HN 0.357 8.587 8.230 -0.000 0.000 0.447 347 L N 0.000 121.149 121.223 -0.124 0.000 2.949 347 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 347 L CA 0.000 54.755 54.840 -0.142 0.000 0.813 347 L CB 0.000 41.917 42.059 -0.236 0.000 0.961 347 L HN 0.000 8.230 8.230 -0.000 0.000 0.502