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 3egc_1_B DATA FIRST_RESID 66 DATA SEQUENCE RSNVVGLIVS DIENVFFAEV ASGVESEARH KGYSVLLANT AEDIVREREA DATA SEQUENCE VGQFFERRVD GLILAPSEGE HDYLRTELPK TFPIVAVNRE LRIPGCGAVL DATA SEQUENCE SENVRGARTA VEYLIARGHT RIGAIVGSAG LMTSRERLKG FRAAMSAAGL DATA SEQUENCE PVRQEWIAAX XXXXXNGRDG AIKVLTGXDR PTALLTSSHR ITEGAMQALN DATA SEQUENCE VLGLRYGPDV EIVSFDNLPW MAFLDPPLPV VEQPTRRIGQ EAMRMLIHMI DATA SEQUENCE EGTGNATEMR LQTRFVTH 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 66 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 66 R C 0.000 176.280 176.300 -0.034 0.000 0.893 66 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 66 R CB 0.000 30.303 30.300 0.006 0.000 0.687 67 S N 0.624 116.316 115.700 -0.012 0.000 2.501 67 S HA 0.108 4.575 4.470 -0.005 0.000 0.220 67 S C 0.423 174.978 174.600 -0.075 0.000 0.997 67 S CA 0.644 58.826 58.200 -0.030 0.000 0.919 67 S CB -0.424 62.774 63.200 -0.003 0.000 0.778 67 S HN 0.504 8.814 8.310 -0.000 0.000 0.523 68 N N -0.091 118.532 118.700 -0.128 0.000 2.735 68 N HA -0.115 4.622 4.740 -0.005 0.000 0.248 68 N C -1.284 174.215 175.510 -0.017 0.000 1.083 68 N CA 0.785 53.647 53.050 -0.313 0.000 0.703 68 N CB -1.454 36.751 38.487 -0.470 0.000 1.005 68 N HN 0.384 8.764 8.380 -0.000 0.000 0.550 69 V N -0.126 119.852 119.914 0.106 0.000 2.656 69 V HA 0.680 4.797 4.120 -0.005 0.000 0.307 69 V C 0.162 176.324 176.094 0.112 0.000 1.051 69 V CA -0.816 61.537 62.300 0.088 0.000 0.893 69 V CB 2.285 34.103 31.823 -0.008 0.000 0.999 69 V HN -0.117 8.073 8.190 -0.000 0.000 0.426 70 V N 2.168 122.113 119.914 0.051 0.000 2.769 70 V HA 0.818 4.935 4.120 -0.005 0.000 0.312 70 V C 0.486 176.519 176.094 -0.102 0.000 1.061 70 V CA -0.315 61.981 62.300 -0.007 0.000 0.931 70 V CB 2.395 34.185 31.823 -0.054 0.000 1.010 70 V HN 1.011 9.201 8.190 -0.000 0.000 0.433 71 G N 3.086 111.846 108.800 -0.067 0.000 2.322 71 G HA2 0.574 4.531 3.960 -0.005 0.000 0.309 71 G HA3 0.574 4.531 3.960 -0.005 0.000 0.309 71 G C -1.312 173.670 174.900 0.137 0.000 1.121 71 G CA -0.307 44.716 45.100 -0.128 0.000 0.886 71 G HN 0.534 8.824 8.290 -0.000 0.000 0.447 72 L N 3.700 125.029 121.223 0.178 0.000 2.319 72 L HA 0.680 5.017 4.340 -0.005 0.000 0.281 72 L C -0.724 176.325 176.870 0.298 0.000 1.005 72 L CA -0.795 54.158 54.840 0.190 0.000 0.828 72 L CB 1.120 43.242 42.059 0.104 0.000 1.227 72 L HN 0.420 8.650 8.230 -0.000 0.000 0.415 73 I N 5.810 126.514 120.570 0.223 0.000 2.389 73 I HA 0.512 4.679 4.170 -0.005 0.000 0.288 73 I C -0.813 175.334 176.117 0.051 0.000 0.999 73 I CA -0.757 60.627 61.300 0.140 0.000 1.129 73 I CB 1.943 40.005 38.000 0.104 0.000 1.288 73 I HN 0.277 8.487 8.210 -0.000 0.000 0.444 74 V N 4.741 124.649 119.914 -0.009 0.000 2.680 74 V HA 0.205 4.322 4.120 -0.005 0.000 0.309 74 V C 0.850 176.800 176.094 -0.239 0.000 1.052 74 V CA -0.243 61.979 62.300 -0.129 0.000 0.908 74 V CB 2.350 34.138 31.823 -0.060 0.000 1.001 74 V HN 0.923 9.113 8.190 -0.000 0.000 0.431 75 S N 1.658 117.080 115.700 -0.464 0.000 2.436 75 S HA 0.016 4.482 4.470 -0.005 0.000 0.228 75 S C 0.491 174.880 174.600 -0.351 0.000 1.014 75 S CA 0.891 58.866 58.200 -0.374 0.000 0.950 75 S CB 0.045 63.037 63.200 -0.348 0.000 0.784 75 S HN 0.797 9.107 8.310 -0.000 0.000 0.504 76 D N -0.380 119.703 120.400 -0.529 0.000 2.351 76 D HA 0.286 4.923 4.640 -0.005 0.000 0.235 76 D C 0.043 176.396 176.300 0.087 0.000 1.331 76 D CA -0.506 53.425 54.000 -0.114 0.000 0.959 76 D CB 0.482 41.311 40.800 0.049 0.000 1.432 76 D HN 0.037 8.407 8.370 -0.000 0.000 0.544 77 I N 2.670 123.282 120.570 0.070 0.000 2.567 77 I HA -0.100 4.067 4.170 -0.005 0.000 0.257 77 I C 1.610 177.832 176.117 0.175 0.000 1.184 77 I CA 1.564 62.950 61.300 0.143 0.000 1.451 77 I CB 0.183 38.237 38.000 0.091 0.000 1.089 77 I HN 0.401 8.611 8.210 -0.000 0.000 0.441 78 E N -0.055 120.238 120.200 0.154 0.000 2.274 78 E HA -0.121 4.226 4.350 -0.005 0.000 0.194 78 E C 0.691 177.412 176.600 0.200 0.000 0.996 78 E CA 0.031 56.518 56.400 0.144 0.000 0.840 78 E CB -0.257 29.507 29.700 0.107 0.000 0.772 78 E HN 0.388 8.748 8.360 -0.000 0.000 0.491 79 N N 1.024 119.898 118.700 0.291 0.000 2.470 79 N HA -0.037 4.700 4.740 -0.005 0.000 0.268 79 N C 0.720 176.437 175.510 0.346 0.000 1.136 79 N CA 0.086 53.362 53.050 0.377 0.000 0.961 79 N CB 1.715 40.499 38.487 0.495 0.000 1.067 79 N HN -0.162 8.218 8.380 -0.000 0.000 0.468 80 V N 4.857 124.928 119.914 0.261 0.000 2.759 80 V HA -0.175 3.942 4.120 -0.005 0.000 0.256 80 V C 1.739 177.869 176.094 0.061 0.000 1.080 80 V CA 1.218 63.584 62.300 0.110 0.000 1.101 80 V CB -1.036 30.787 31.823 -0.001 0.000 0.698 80 V HN 0.691 8.881 8.190 -0.000 0.000 0.477 81 F N 0.646 120.561 119.950 -0.058 0.000 2.069 81 F HA -0.219 4.306 4.527 -0.004 0.000 0.298 81 F C 1.909 177.578 175.800 -0.218 0.000 1.113 81 F CA 2.090 59.962 58.000 -0.213 0.000 1.214 81 F CB -0.461 38.297 39.000 -0.403 0.000 0.978 81 F HN 0.227 8.527 8.300 -0.000 0.000 0.474 82 F N 0.712 120.767 119.950 0.175 0.000 2.186 82 F HA -0.019 4.504 4.527 -0.006 0.000 0.299 82 F C 2.598 178.381 175.800 -0.029 0.000 1.090 82 F CA 1.003 59.035 58.000 0.053 0.000 1.307 82 F CB -1.607 37.508 39.000 0.192 0.000 1.019 82 F HN 0.099 8.399 8.300 -0.000 0.000 0.489 83 A N 0.042 122.959 122.820 0.162 0.000 1.902 83 A HA -0.203 4.114 4.320 -0.005 0.000 0.217 83 A C 2.133 179.716 177.584 -0.003 0.000 1.181 83 A CA 1.848 53.936 52.037 0.085 0.000 0.623 83 A CB -0.775 18.275 19.000 0.084 0.000 0.818 83 A HN 0.421 8.571 8.150 -0.000 0.000 0.443 84 E N -0.493 119.661 120.200 -0.077 0.000 2.150 84 E HA -0.078 4.269 4.350 -0.005 0.000 0.193 84 E C 1.911 178.412 176.600 -0.165 0.000 0.985 84 E CA 0.966 57.292 56.400 -0.124 0.000 0.814 84 E CB -0.180 29.421 29.700 -0.166 0.000 0.752 84 E HN 0.383 8.743 8.360 -0.000 0.000 0.466 85 V N 1.280 121.045 119.914 -0.249 0.000 2.392 85 V HA -0.293 3.824 4.120 -0.005 0.000 0.249 85 V C 2.254 178.305 176.094 -0.072 0.000 1.059 85 V CA 1.922 64.101 62.300 -0.202 0.000 1.051 85 V CB -0.602 31.075 31.823 -0.243 0.000 0.658 85 V HN 0.333 8.523 8.190 -0.000 0.000 0.455 86 A N -0.924 121.885 122.820 -0.020 0.000 1.897 86 A HA -0.189 4.128 4.320 -0.005 0.000 0.215 86 A C 2.541 180.122 177.584 -0.006 0.000 1.181 86 A CA 1.894 53.940 52.037 0.014 0.000 0.620 86 A CB -0.769 18.261 19.000 0.051 0.000 0.821 86 A HN 0.465 8.615 8.150 -0.000 0.000 0.443 87 S N -0.387 115.303 115.700 -0.017 0.000 2.374 87 S HA -0.102 4.365 4.470 -0.005 0.000 0.227 87 S C 2.019 176.594 174.600 -0.042 0.000 1.037 87 S CA 1.983 60.170 58.200 -0.022 0.000 1.024 87 S CB -0.671 62.513 63.200 -0.027 0.000 0.861 87 S HN 0.699 9.009 8.310 -0.000 0.000 0.456 88 G N 0.527 109.289 108.800 -0.063 0.000 2.402 88 G HA2 -0.105 3.852 3.960 -0.005 0.000 0.216 88 G HA3 -0.105 3.852 3.960 -0.005 0.000 0.216 88 G C 1.495 176.347 174.900 -0.079 0.000 1.162 88 G CA 0.957 46.009 45.100 -0.080 0.000 0.777 88 G HN 0.465 8.755 8.290 -0.000 0.000 0.539 89 V N 0.786 120.665 119.914 -0.058 0.000 2.255 89 V HA -0.187 3.930 4.120 -0.005 0.000 0.247 89 V C 2.753 178.821 176.094 -0.044 0.000 1.051 89 V CA 2.204 64.473 62.300 -0.052 0.000 1.018 89 V CB -0.299 31.508 31.823 -0.027 0.000 0.641 89 V HN 0.415 8.605 8.190 -0.000 0.000 0.445 90 E N -0.107 120.081 120.200 -0.021 0.000 2.106 90 E HA -0.203 4.144 4.350 -0.005 0.000 0.192 90 E C 2.488 179.097 176.600 0.015 0.000 0.984 90 E CA 1.599 58.001 56.400 0.004 0.000 0.806 90 E CB -0.158 29.552 29.700 0.017 0.000 0.750 90 E HN 0.530 8.890 8.360 -0.000 0.000 0.458 91 S N 0.362 116.049 115.700 -0.022 0.000 2.355 91 S HA -0.203 4.264 4.470 -0.005 0.000 0.222 91 S C 1.929 176.402 174.600 -0.212 0.000 1.031 91 S CA 1.724 59.891 58.200 -0.056 0.000 0.993 91 S CB -0.237 62.893 63.200 -0.117 0.000 0.859 91 S HN 0.256 8.566 8.310 -0.000 0.000 0.453 92 E N 1.291 121.361 120.200 -0.217 0.000 2.058 92 E HA -0.052 4.295 4.350 -0.005 0.000 0.194 92 E C 2.048 178.623 176.600 -0.043 0.000 0.997 92 E CA 1.649 57.932 56.400 -0.196 0.000 0.801 92 E CB -0.774 28.833 29.700 -0.155 0.000 0.746 92 E HN 0.523 8.883 8.360 -0.000 0.000 0.450 93 A N 0.745 123.556 122.820 -0.014 0.000 1.908 93 A HA -0.217 4.100 4.320 -0.005 0.000 0.218 93 A C 2.303 179.981 177.584 0.158 0.000 1.181 93 A CA 1.897 53.966 52.037 0.054 0.000 0.627 93 A CB -0.668 18.355 19.000 0.038 0.000 0.818 93 A HN 0.283 8.433 8.150 -0.000 0.000 0.445 94 R N -1.003 119.590 120.500 0.155 0.000 2.096 94 R HA -0.154 4.183 4.340 -0.005 0.000 0.235 94 R C 1.946 178.365 176.300 0.198 0.000 1.127 94 R CA 1.686 57.889 56.100 0.172 0.000 0.968 94 R CB -0.460 29.949 30.300 0.182 0.000 0.861 94 R HN 0.784 9.054 8.270 -0.000 0.000 0.440 95 H N -0.596 118.490 119.070 0.028 0.000 2.495 95 H HA 0.005 4.558 4.556 -0.006 0.000 0.287 95 H C 1.017 176.365 175.328 0.034 0.000 1.033 95 H CA 0.648 56.709 56.048 0.021 0.000 1.307 95 H CB 0.437 30.205 29.762 0.009 0.000 1.401 95 H HN 0.094 8.374 8.280 -0.000 0.000 0.555 96 K N -0.316 120.202 120.400 0.196 0.000 2.358 96 K HA 0.119 4.436 4.320 -0.005 0.000 0.197 96 K C 1.097 177.798 176.600 0.168 0.000 1.025 96 K CA 0.556 56.952 56.287 0.182 0.000 1.104 96 K CB 1.358 33.989 32.500 0.218 0.000 0.855 96 K HN 0.390 8.640 8.250 -0.000 0.000 0.531 97 G N 1.570 110.444 108.800 0.123 0.000 2.132 97 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.228 97 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.228 97 G C -0.446 174.423 174.900 -0.052 0.000 1.000 97 G CA -0.077 45.029 45.100 0.011 0.000 0.693 97 G HN 0.208 8.498 8.290 -0.000 0.000 0.515 98 Y N 0.750 121.045 120.300 -0.009 0.000 2.376 98 Y HA 0.685 5.232 4.550 -0.004 0.000 0.325 98 Y C 0.987 176.876 175.900 -0.019 0.000 1.199 98 Y CA -0.375 57.713 58.100 -0.019 0.000 1.206 98 Y CB 1.807 40.250 38.460 -0.028 0.000 1.229 98 Y HN 0.124 8.404 8.280 -0.000 0.000 0.480 99 S N 0.778 116.553 115.700 0.125 0.000 2.651 99 S HA 0.683 5.150 4.470 -0.005 0.000 0.291 99 S C -1.059 173.567 174.600 0.044 0.000 1.141 99 S CA -0.780 57.455 58.200 0.058 0.000 1.027 99 S CB 1.343 64.548 63.200 0.010 0.000 1.043 99 S HN 0.320 8.630 8.310 -0.000 0.000 0.530 100 V N 2.919 122.836 119.914 0.006 0.000 2.443 100 V HA 0.364 4.481 4.120 -0.005 0.000 0.293 100 V C -0.529 175.524 176.094 -0.068 0.000 1.021 100 V CA -0.539 61.745 62.300 -0.027 0.000 0.848 100 V CB 1.177 32.999 31.823 -0.001 0.000 0.998 100 V HN 0.695 8.885 8.190 -0.000 0.000 0.424 101 L N 5.327 126.440 121.223 -0.182 0.000 2.290 101 L HA 0.466 4.802 4.340 -0.005 0.000 0.284 101 L C -0.398 176.400 176.870 -0.121 0.000 1.078 101 L CA -0.371 54.299 54.840 -0.284 0.000 0.815 101 L CB 1.422 43.023 42.059 -0.763 0.000 1.162 101 L HN 0.512 8.742 8.230 -0.000 0.000 0.435 102 L N 4.617 125.908 121.223 0.114 0.000 2.307 102 L HA 0.799 5.136 4.340 -0.005 0.000 0.284 102 L C -0.422 176.686 176.870 0.396 0.000 1.023 102 L CA 0.052 55.034 54.840 0.237 0.000 0.810 102 L CB 1.534 43.672 42.059 0.131 0.000 1.231 102 L HN 0.617 8.847 8.230 -0.000 0.000 0.423 103 A N 3.853 126.881 122.820 0.348 0.000 2.414 103 A HA 0.693 5.010 4.320 -0.005 0.000 0.306 103 A C -1.329 176.290 177.584 0.059 0.000 1.054 103 A CA -0.692 51.428 52.037 0.138 0.000 0.724 103 A CB 1.211 20.135 19.000 -0.126 0.000 1.267 103 A HN 0.724 8.874 8.150 -0.000 0.000 0.418 104 N N 0.369 119.081 118.700 0.021 0.000 2.392 104 N HA 0.448 5.185 4.740 -0.005 0.000 0.283 104 N C 0.752 176.242 175.510 -0.034 0.000 1.003 104 N CA 0.301 53.348 53.050 -0.006 0.000 0.892 104 N CB 1.709 40.204 38.487 0.013 0.000 1.193 104 N HN 0.589 8.969 8.380 -0.000 0.000 0.487 105 T N 0.945 115.466 114.554 -0.054 0.000 3.014 105 T HA 0.250 4.597 4.350 -0.005 0.000 0.250 105 T C 0.899 175.571 174.700 -0.047 0.000 1.060 105 T CA 0.404 62.471 62.100 -0.055 0.000 1.040 105 T CB -0.305 68.530 68.868 -0.056 0.000 0.971 105 T HN 0.834 9.074 8.240 -0.000 0.000 0.497 106 A N 2.058 124.849 122.820 -0.048 0.000 2.745 106 A HA -0.180 4.137 4.320 -0.005 0.000 0.296 106 A C 0.852 178.418 177.584 -0.031 0.000 1.500 106 A CA 1.138 53.157 52.037 -0.031 0.000 0.766 106 A CB -2.286 16.705 19.000 -0.015 0.000 1.030 106 A HN 0.643 8.793 8.150 -0.000 0.000 0.489 107 E N -1.963 118.209 120.200 -0.046 0.000 3.070 107 E HA -0.244 4.103 4.350 -0.005 0.000 0.285 107 E C -0.233 176.352 176.600 -0.025 0.000 0.972 107 E CA 1.518 57.899 56.400 -0.032 0.000 0.915 107 E CB -1.515 28.176 29.700 -0.016 0.000 1.466 107 E HN 1.035 9.395 8.360 -0.000 0.000 0.432 108 D N 0.315 120.695 120.400 -0.033 0.000 2.359 108 D HA 0.235 4.872 4.640 -0.005 0.000 0.230 108 D C 1.011 177.282 176.300 -0.047 0.000 1.118 108 D CA -0.433 53.543 54.000 -0.039 0.000 0.844 108 D CB 0.588 41.363 40.800 -0.042 0.000 1.059 108 D HN -0.026 8.344 8.370 -0.000 0.000 0.493 109 I N 4.244 124.782 120.570 -0.053 0.000 2.335 109 I HA -0.223 3.944 4.170 -0.005 0.000 0.251 109 I C 1.819 177.861 176.117 -0.124 0.000 1.129 109 I CA 1.190 62.445 61.300 -0.075 0.000 1.402 109 I CB 0.233 38.170 38.000 -0.106 0.000 1.069 109 I HN 0.383 8.593 8.210 -0.000 0.000 0.424 110 V N 0.449 120.293 119.914 -0.117 0.000 2.358 110 V HA -0.251 3.866 4.120 -0.005 0.000 0.246 110 V C 2.584 178.601 176.094 -0.129 0.000 1.047 110 V CA 1.950 64.168 62.300 -0.137 0.000 1.035 110 V CB -0.714 31.047 31.823 -0.103 0.000 0.658 110 V HN 0.380 8.570 8.190 -0.000 0.000 0.452 111 R N -0.194 120.247 120.500 -0.098 0.000 2.115 111 R HA -0.162 4.175 4.340 -0.005 0.000 0.230 111 R C 2.370 178.609 176.300 -0.102 0.000 1.111 111 R CA 1.493 57.537 56.100 -0.094 0.000 0.976 111 R CB -0.274 29.982 30.300 -0.072 0.000 0.870 111 R HN 0.657 8.927 8.270 -0.000 0.000 0.445 112 E N 1.106 121.259 120.200 -0.078 0.000 2.051 112 E HA -0.263 4.084 4.350 -0.005 0.000 0.192 112 E C 2.064 178.638 176.600 -0.044 0.000 0.991 112 E CA 1.230 57.611 56.400 -0.031 0.000 0.799 112 E CB 0.041 29.778 29.700 0.062 0.000 0.748 112 E HN 0.146 8.506 8.360 -0.000 0.000 0.449 113 R N 0.442 120.844 120.500 -0.164 0.000 2.091 113 R HA -0.172 4.165 4.340 -0.005 0.000 0.238 113 R C 2.242 178.435 176.300 -0.178 0.000 1.136 113 R CA 2.059 57.961 56.100 -0.331 0.000 0.959 113 R CB -0.017 29.902 30.300 -0.633 0.000 0.856 113 R HN 0.270 8.540 8.270 -0.000 0.000 0.437 114 E N -0.620 119.485 120.200 -0.159 0.000 2.077 114 E HA -0.190 4.157 4.350 -0.005 0.000 0.193 114 E C 1.908 178.420 176.600 -0.146 0.000 0.989 114 E CA 1.203 57.527 56.400 -0.126 0.000 0.800 114 E CB -0.098 29.536 29.700 -0.110 0.000 0.746 114 E HN 0.459 8.819 8.360 -0.000 0.000 0.452 115 A N 0.812 123.507 122.820 -0.209 0.000 1.930 115 A HA -0.116 4.201 4.320 -0.005 0.000 0.217 115 A C 2.485 179.844 177.584 -0.375 0.000 1.175 115 A CA 0.928 52.705 52.037 -0.433 0.000 0.627 115 A CB -0.582 18.110 19.000 -0.515 0.000 0.815 115 A HN 0.105 8.255 8.150 -0.000 0.000 0.443 116 V N 0.090 119.945 119.914 -0.099 0.000 2.252 116 V HA -0.250 3.867 4.120 -0.005 0.000 0.249 116 V C 2.823 178.995 176.094 0.128 0.000 1.056 116 V CA 2.188 64.549 62.300 0.101 0.000 1.022 116 V CB -1.512 30.455 31.823 0.241 0.000 0.641 116 V HN 0.603 8.793 8.190 -0.000 0.000 0.445 117 G N -1.539 107.301 108.800 0.066 0.000 2.418 117 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.217 117 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.217 117 G C 1.545 176.523 174.900 0.130 0.000 1.158 117 G CA 0.949 46.106 45.100 0.095 0.000 0.771 117 G HN 0.538 8.828 8.290 -0.000 0.000 0.545 118 Q N -0.933 118.902 119.800 0.059 0.000 2.096 118 Q HA -0.120 4.217 4.340 -0.005 0.000 0.204 118 Q C 2.268 178.440 176.000 0.287 0.000 0.982 118 Q CA 1.228 57.091 55.803 0.100 0.000 0.850 118 Q CB -0.211 28.523 28.738 -0.007 0.000 0.901 118 Q HN 0.410 8.680 8.270 -0.000 0.000 0.422 119 F N -0.313 119.705 119.950 0.113 0.000 2.206 119 F HA -0.099 4.429 4.527 0.001 0.000 0.298 119 F C 2.034 177.918 175.800 0.139 0.000 1.090 119 F CA 0.361 58.441 58.000 0.134 0.000 1.323 119 F CB -1.117 37.989 39.000 0.176 0.000 1.028 119 F HN 0.156 8.456 8.300 -0.000 0.000 0.492 120 F N 1.946 121.985 119.950 0.147 0.000 2.102 120 F HA -0.230 4.295 4.527 -0.003 0.000 0.298 120 F C 2.314 178.081 175.800 -0.055 0.000 1.105 120 F CA 1.993 59.926 58.000 -0.112 0.000 1.239 120 F CB -0.616 38.199 39.000 -0.310 0.000 0.991 120 F HN 0.130 8.430 8.300 -0.000 0.000 0.474 121 E N -0.144 120.054 120.200 -0.003 0.000 2.209 121 E HA -0.216 4.131 4.350 -0.005 0.000 0.196 121 E C 1.929 178.467 176.600 -0.103 0.000 0.993 121 E CA 1.494 57.835 56.400 -0.098 0.000 0.819 121 E CB -0.659 29.052 29.700 0.018 0.000 0.745 121 E HN 0.385 8.745 8.360 -0.000 0.000 0.477 122 R N 0.344 120.835 120.500 -0.016 0.000 2.313 122 R HA 0.148 4.485 4.340 -0.005 0.000 0.199 122 R C -0.119 176.150 176.300 -0.052 0.000 0.958 122 R CA -0.002 56.095 56.100 -0.005 0.000 1.047 122 R CB 0.055 30.393 30.300 0.064 0.000 0.955 122 R HN -0.008 8.262 8.270 -0.000 0.000 0.481 123 R N 0.330 120.746 120.500 -0.139 0.000 3.251 123 R HA -0.118 4.219 4.340 -0.005 0.000 0.249 123 R C 0.082 176.390 176.300 0.015 0.000 0.949 123 R CA 0.754 56.769 56.100 -0.142 0.000 0.645 123 R CB -2.856 27.349 30.300 -0.158 0.000 1.065 123 R HN 0.242 8.512 8.270 -0.000 0.000 0.452 124 V N -1.904 118.068 119.914 0.096 0.000 2.901 124 V HA -0.006 4.111 4.120 -0.005 0.000 0.307 124 V C 1.629 177.885 176.094 0.270 0.000 1.084 124 V CA 0.178 62.569 62.300 0.151 0.000 1.184 124 V CB 0.855 32.770 31.823 0.155 0.000 0.941 124 V HN 0.161 8.351 8.190 -0.000 0.000 0.493 125 D N 2.559 123.070 120.400 0.185 0.000 2.264 125 D HA 0.237 4.874 4.640 -0.005 0.000 0.208 125 D C 0.811 177.128 176.300 0.028 0.000 0.966 125 D CA 1.816 55.915 54.000 0.165 0.000 0.864 125 D CB 0.277 41.188 40.800 0.185 0.000 0.933 125 D HN 1.120 9.490 8.370 -0.000 0.000 0.499 126 G N -0.945 107.823 108.800 -0.055 0.000 2.368 126 G HA2 0.454 4.411 3.960 -0.005 0.000 0.293 126 G HA3 0.454 4.411 3.960 -0.005 0.000 0.293 126 G C -1.963 172.839 174.900 -0.163 0.000 1.467 126 G CA -0.838 44.026 45.100 -0.392 0.000 0.804 126 G HN 0.029 8.319 8.290 -0.000 0.000 0.535 127 L N 0.572 121.682 121.223 -0.188 0.000 2.385 127 L HA 0.578 4.915 4.340 -0.005 0.000 0.273 127 L C -0.391 176.476 176.870 -0.006 0.000 0.990 127 L CA -0.891 53.970 54.840 0.035 0.000 0.821 127 L CB 2.194 44.356 42.059 0.171 0.000 1.279 127 L HN 0.379 8.609 8.230 -0.000 0.000 0.412 128 I N 4.454 125.046 120.570 0.036 0.000 2.312 128 I HA 0.275 4.442 4.170 -0.005 0.000 0.290 128 I C -0.760 175.401 176.117 0.072 0.000 1.008 128 I CA -0.551 60.766 61.300 0.029 0.000 1.226 128 I CB 1.806 39.814 38.000 0.012 0.000 1.371 128 I HN 0.310 8.520 8.210 -0.000 0.000 0.468 129 L N 7.352 128.607 121.223 0.054 0.000 2.319 129 L HA 0.635 4.972 4.340 -0.005 0.000 0.281 129 L C -0.006 176.893 176.870 0.047 0.000 1.005 129 L CA -0.210 54.665 54.840 0.058 0.000 0.828 129 L CB 1.425 43.512 42.059 0.046 0.000 1.227 129 L HN 0.629 8.859 8.230 -0.000 0.000 0.415 130 A N 7.337 130.191 122.820 0.057 0.000 2.506 130 A HA 0.660 4.977 4.320 -0.005 0.000 0.320 130 A C -2.439 175.144 177.584 -0.001 0.000 1.424 130 A CA -1.363 50.716 52.037 0.071 0.000 1.044 130 A CB -0.818 18.219 19.000 0.062 0.000 1.140 130 A HN 0.596 8.746 8.150 -0.000 0.000 0.538 131 P HA 0.176 4.596 4.420 -0.000 0.000 0.269 131 P C 0.111 177.460 177.300 0.082 0.000 1.209 131 P CA 0.134 63.244 63.100 0.016 0.000 0.776 131 P CB 0.845 32.404 31.700 -0.234 0.000 0.876 132 S N 0.401 116.202 115.700 0.169 0.000 2.652 132 S HA 0.157 4.624 4.470 -0.005 0.000 0.270 132 S C 0.019 174.720 174.600 0.169 0.000 1.243 132 S CA -0.698 57.565 58.200 0.105 0.000 0.999 132 S CB 0.328 63.562 63.200 0.057 0.000 0.973 132 S HN 0.461 8.771 8.310 -0.000 0.000 0.544 133 E N 0.292 120.545 120.200 0.089 0.000 2.366 133 E HA 0.429 4.776 4.350 -0.005 0.000 0.266 133 E C 0.277 176.892 176.600 0.026 0.000 1.015 133 E CA 0.032 56.480 56.400 0.080 0.000 0.906 133 E CB 0.012 29.735 29.700 0.037 0.000 0.979 133 E HN 0.776 9.136 8.360 -0.000 0.000 0.443 134 G N 3.457 112.258 108.800 0.000 0.000 2.356 134 G HA2 -0.086 3.871 3.960 -0.005 0.000 0.288 134 G HA3 -0.086 3.871 3.960 -0.005 0.000 0.288 134 G C -1.294 173.472 174.900 -0.223 0.000 1.302 134 G CA -0.885 44.149 45.100 -0.109 0.000 0.887 134 G HN 0.572 8.862 8.290 -0.000 0.000 0.521 135 E N -0.849 119.231 120.200 -0.199 0.000 2.354 135 E HA 0.463 4.810 4.350 -0.005 0.000 0.269 135 E C -0.051 176.393 176.600 -0.259 0.000 1.036 135 E CA -0.276 56.046 56.400 -0.130 0.000 0.876 135 E CB 0.414 30.097 29.700 -0.029 0.000 1.009 135 E HN 0.551 8.911 8.360 -0.000 0.000 0.416 136 H N 1.883 120.996 119.070 0.072 0.000 2.581 136 H HA 0.157 4.710 4.556 -0.006 0.000 0.275 136 H C 1.041 176.266 175.328 -0.171 0.000 1.126 136 H CA 0.718 56.751 56.048 -0.026 0.000 1.097 136 H CB 0.691 30.407 29.762 -0.076 0.000 1.626 136 H HN 0.739 9.019 8.280 -0.000 0.000 0.565 137 D N 0.682 121.101 120.400 0.032 0.000 2.178 137 D HA -0.246 4.391 4.640 -0.005 0.000 0.201 137 D C 1.779 178.060 176.300 -0.032 0.000 0.980 137 D CA 1.512 55.511 54.000 -0.002 0.000 0.842 137 D CB -0.884 39.936 40.800 0.033 0.000 0.948 137 D HN 0.684 9.054 8.370 -0.000 0.000 0.472 138 Y N -0.142 120.156 120.300 -0.002 0.000 2.241 138 Y HA -0.049 4.497 4.550 -0.006 0.000 0.286 138 Y C 2.138 178.030 175.900 -0.015 0.000 1.166 138 Y CA 0.996 59.085 58.100 -0.018 0.000 1.203 138 Y CB -0.556 37.885 38.460 -0.032 0.000 0.977 138 Y HN 0.217 8.497 8.280 -0.000 0.000 0.529 139 L N 0.715 121.482 121.223 -0.760 0.000 2.131 139 L HA -0.159 4.178 4.340 -0.005 0.000 0.210 139 L C 2.821 179.565 176.870 -0.211 0.000 1.092 139 L CA 1.951 56.474 54.840 -0.529 0.000 0.759 139 L CB -0.432 41.331 42.059 -0.494 0.000 0.903 139 L HN 0.345 8.575 8.230 -0.000 0.000 0.435 140 R N -0.360 120.048 120.500 -0.153 0.000 2.210 140 R HA -0.055 4.282 4.340 -0.005 0.000 0.203 140 R C 1.874 178.143 176.300 -0.052 0.000 1.010 140 R CA 1.405 57.458 56.100 -0.079 0.000 1.008 140 R CB -0.375 29.892 30.300 -0.055 0.000 0.923 140 R HN 0.303 8.573 8.270 -0.000 0.000 0.469 141 T N -3.492 111.038 114.554 -0.040 0.000 3.014 141 T HA 0.196 4.543 4.350 -0.005 0.000 0.250 141 T C 1.148 175.832 174.700 -0.026 0.000 1.060 141 T CA 0.086 62.175 62.100 -0.018 0.000 1.040 141 T CB 0.335 69.206 68.868 0.006 0.000 0.971 141 T HN 0.218 8.458 8.240 -0.000 0.000 0.497 142 E N 0.340 120.519 120.200 -0.035 0.000 2.481 142 E HA 0.460 4.806 4.350 -0.005 0.000 0.198 142 E C -0.335 176.143 176.600 -0.204 0.000 1.027 142 E CA -0.023 56.341 56.400 -0.060 0.000 0.900 142 E CB 0.330 30.043 29.700 0.022 0.000 0.993 142 E HN 0.520 8.880 8.360 -0.000 0.000 0.482 143 L N 0.680 121.771 121.223 -0.220 0.000 2.388 143 L HA 0.500 4.837 4.340 -0.005 0.000 0.264 143 L C -2.358 174.400 176.870 -0.187 0.000 0.998 143 L CA -2.544 52.061 54.840 -0.392 0.000 0.817 143 L CB 1.886 43.740 42.059 -0.342 0.000 1.338 143 L HN -0.151 8.079 8.230 -0.000 0.000 0.414 144 P HA 0.060 4.480 4.420 -0.000 0.000 0.269 144 P C -0.050 177.296 177.300 0.077 0.000 1.209 144 P CA -0.378 62.740 63.100 0.030 0.000 0.776 144 P CB 0.732 32.520 31.700 0.146 0.000 0.876 145 K N 0.891 121.330 120.400 0.065 0.000 2.442 145 K HA -0.079 4.238 4.320 -0.005 0.000 0.198 145 K C 1.085 177.736 176.600 0.085 0.000 1.042 145 K CA 1.434 57.756 56.287 0.058 0.000 0.958 145 K CB -0.160 32.362 32.500 0.038 0.000 0.766 145 K HN 0.613 8.863 8.250 -0.000 0.000 0.474 146 T N -2.248 112.382 114.554 0.126 0.000 3.081 146 T HA 0.049 4.396 4.350 -0.005 0.000 0.250 146 T C 0.397 175.211 174.700 0.190 0.000 1.100 146 T CA -0.483 61.695 62.100 0.130 0.000 1.038 146 T CB -0.257 68.688 68.868 0.129 0.000 0.962 146 T HN 0.118 8.358 8.240 -0.000 0.000 0.516 147 F N 5.337 125.335 119.950 0.080 0.000 2.462 147 F HA 0.362 4.884 4.527 -0.008 0.000 0.360 147 F C -2.154 173.684 175.800 0.063 0.000 1.134 147 F CA -2.843 55.224 58.000 0.113 0.000 1.148 147 F CB 0.762 39.851 39.000 0.148 0.000 1.147 147 F HN -0.010 8.290 8.300 -0.000 0.000 0.550 148 P HA 0.227 4.647 4.420 -0.000 0.000 0.276 148 P C -0.808 176.262 177.300 -0.384 0.000 1.243 148 P CA 0.218 63.142 63.100 -0.292 0.000 0.768 148 P CB 1.175 32.746 31.700 -0.215 0.000 0.856 149 I N 3.304 123.758 120.570 -0.193 0.000 2.509 149 I HA 0.415 4.582 4.170 -0.005 0.000 0.293 149 I C 0.003 176.068 176.117 -0.086 0.000 1.020 149 I CA -1.186 60.035 61.300 -0.133 0.000 1.088 149 I CB 2.556 40.522 38.000 -0.057 0.000 1.267 149 I HN 0.121 8.331 8.210 -0.000 0.000 0.430 150 V N 4.915 124.788 119.914 -0.069 0.000 2.588 150 V HA 0.881 4.998 4.120 -0.005 0.000 0.304 150 V C -0.333 175.747 176.094 -0.023 0.000 1.042 150 V CA -0.243 62.031 62.300 -0.044 0.000 0.877 150 V CB 1.621 33.420 31.823 -0.041 0.000 0.996 150 V HN 0.818 9.008 8.190 -0.000 0.000 0.425 151 A N 5.651 128.458 122.820 -0.021 0.000 2.316 151 A HA 0.844 5.161 4.320 -0.005 0.000 0.284 151 A C -0.036 177.564 177.584 0.027 0.000 1.115 151 A CA 0.002 52.033 52.037 -0.009 0.000 0.812 151 A CB 1.278 20.253 19.000 -0.042 0.000 1.064 151 A HN 2.145 10.295 8.150 -0.000 0.000 0.489 152 V N 1.278 121.235 119.914 0.070 0.000 2.628 152 V HA 0.665 4.782 4.120 -0.005 0.000 0.306 152 V C 0.613 176.818 176.094 0.184 0.000 1.045 152 V CA -0.033 62.341 62.300 0.124 0.000 0.905 152 V CB 1.153 33.067 31.823 0.151 0.000 0.997 152 V HN 1.284 9.474 8.190 -0.000 0.000 0.436 153 N N 2.308 121.122 118.700 0.190 0.000 1.675 153 N HA -0.211 4.526 4.740 -0.005 0.000 0.210 153 N C 0.241 175.809 175.510 0.095 0.000 1.267 153 N CA 1.507 54.682 53.050 0.209 0.000 4.051 153 N CB -0.551 38.160 38.487 0.373 0.000 0.680 153 N HN 0.851 9.231 8.380 -0.000 0.000 0.289 154 R N 1.987 122.538 120.500 0.084 0.000 2.534 154 R HA 0.315 4.652 4.340 -0.005 0.000 0.301 154 R C -0.709 175.587 176.300 -0.006 0.000 0.961 154 R CA -0.506 55.611 56.100 0.028 0.000 0.871 154 R CB 1.753 32.069 30.300 0.028 0.000 1.170 154 R HN 0.332 8.602 8.270 -0.000 0.000 0.446 155 E N 3.139 123.330 120.200 -0.016 0.000 2.374 155 E HA 0.042 4.389 4.350 -0.005 0.000 0.260 155 E C -0.135 176.420 176.600 -0.075 0.000 1.101 155 E CA -0.607 55.773 56.400 -0.034 0.000 0.907 155 E CB 0.702 30.392 29.700 -0.018 0.000 1.014 155 E HN 0.214 8.574 8.360 -0.000 0.000 0.427 156 L N 1.539 122.708 121.223 -0.091 0.000 2.202 156 L HA 0.116 4.453 4.340 -0.005 0.000 0.205 156 L C 1.061 177.899 176.870 -0.054 0.000 1.083 156 L CA 0.896 55.662 54.840 -0.123 0.000 0.790 156 L CB -1.384 40.594 42.059 -0.134 0.000 0.942 156 L HN 0.795 9.025 8.230 -0.000 0.000 0.452 157 R N -0.367 120.112 120.500 -0.036 0.000 3.418 157 R HA -0.138 4.199 4.340 -0.005 0.000 0.274 157 R C -0.679 175.610 176.300 -0.018 0.000 1.108 157 R CA 0.224 56.314 56.100 -0.017 0.000 0.741 157 R CB -1.564 28.734 30.300 -0.003 0.000 1.223 157 R HN 0.111 8.381 8.270 -0.000 0.000 0.434 158 I N 0.555 121.108 120.570 -0.029 0.000 2.436 158 I HA 0.308 4.475 4.170 -0.005 0.000 0.289 158 I C -1.979 174.123 176.117 -0.025 0.000 1.010 158 I CA -2.477 58.805 61.300 -0.030 0.000 1.098 158 I CB 1.776 39.747 38.000 -0.048 0.000 1.266 158 I HN -0.212 7.998 8.210 -0.000 0.000 0.434 159 P HA 0.098 4.518 4.420 -0.000 0.000 0.261 159 P C 0.927 178.218 177.300 -0.014 0.000 1.173 159 P CA 0.959 64.051 63.100 -0.013 0.000 0.760 159 P CB 0.540 32.235 31.700 -0.009 0.000 0.783 160 G N 1.508 110.300 108.800 -0.013 0.000 2.225 160 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.254 160 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.254 160 G C 0.204 175.092 174.900 -0.021 0.000 0.988 160 G CA -0.116 44.977 45.100 -0.013 0.000 0.625 160 G HN 0.660 8.950 8.290 -0.000 0.000 0.527 161 C N 2.313 121.596 119.300 -0.027 0.000 2.347 161 C HA 0.682 5.139 4.460 -0.005 0.000 0.353 161 C C 1.491 176.462 174.990 -0.032 0.000 1.273 161 C CA -0.045 58.951 59.018 -0.037 0.000 1.861 161 C CB 0.192 27.904 27.740 -0.047 0.000 2.420 161 C HN 0.795 9.025 8.230 -0.000 0.000 0.542 162 G N 2.240 111.020 108.800 -0.033 0.000 2.606 162 G HA2 0.547 4.504 3.960 -0.005 0.000 0.252 162 G HA3 0.547 4.504 3.960 -0.005 0.000 0.252 162 G C -0.543 174.344 174.900 -0.022 0.000 1.206 162 G CA -0.008 45.077 45.100 -0.025 0.000 0.861 162 G HN 1.209 9.499 8.290 -0.000 0.000 0.561 163 A N -0.155 122.658 122.820 -0.012 0.000 2.427 163 A HA 0.622 4.939 4.320 -0.005 0.000 0.298 163 A C -1.001 176.588 177.584 0.008 0.000 1.036 163 A CA -0.463 51.573 52.037 -0.003 0.000 0.701 163 A CB 2.028 21.025 19.000 -0.004 0.000 1.250 163 A HN 1.013 9.163 8.150 -0.000 0.000 0.412 164 V N 3.621 123.547 119.914 0.020 0.000 2.357 164 V HA 0.586 4.703 4.120 -0.005 0.000 0.284 164 V C -0.322 175.803 176.094 0.051 0.000 1.018 164 V CA -0.124 62.193 62.300 0.028 0.000 0.841 164 V CB 0.692 32.528 31.823 0.022 0.000 0.991 164 V HN 0.765 8.955 8.190 -0.000 0.000 0.437 165 L N 2.734 123.988 121.223 0.050 0.000 2.327 165 L HA 0.661 4.998 4.340 -0.005 0.000 0.258 165 L C 0.075 176.987 176.870 0.070 0.000 1.024 165 L CA -0.571 54.307 54.840 0.064 0.000 0.825 165 L CB 2.451 44.535 42.059 0.042 0.000 1.386 165 L HN 0.466 8.696 8.230 -0.000 0.000 0.417 166 S N -0.232 115.520 115.700 0.087 0.000 2.646 166 S HA 0.150 4.617 4.470 -0.005 0.000 0.276 166 S C -0.168 174.485 174.600 0.088 0.000 1.222 166 S CA -0.670 57.592 58.200 0.103 0.000 1.014 166 S CB 1.064 64.358 63.200 0.156 0.000 0.991 166 S HN 0.659 8.969 8.310 -0.000 0.000 0.533 167 E N 2.060 122.315 120.200 0.092 0.000 1.842 167 E HA 0.087 4.434 4.350 -0.005 0.000 0.278 167 E C 0.006 176.686 176.600 0.133 0.000 1.171 167 E CA -0.263 56.188 56.400 0.085 0.000 1.127 167 E CB -0.258 29.478 29.700 0.060 0.000 1.100 167 E HN 0.378 8.738 8.360 -0.000 0.000 0.456 168 N N 1.893 120.669 118.700 0.127 0.000 2.106 168 N HA -0.134 4.603 4.740 -0.005 0.000 0.188 168 N C 1.716 177.339 175.510 0.189 0.000 1.029 168 N CA 1.189 54.341 53.050 0.171 0.000 0.848 168 N CB -0.141 38.349 38.487 0.004 0.000 1.007 168 N HN 0.264 8.644 8.380 -0.000 0.000 0.423 169 V N 1.820 121.796 119.914 0.102 0.000 2.252 169 V HA -0.232 3.885 4.120 -0.005 0.000 0.249 169 V C 2.601 178.748 176.094 0.087 0.000 1.056 169 V CA 1.682 64.034 62.300 0.086 0.000 1.022 169 V CB -0.547 31.307 31.823 0.051 0.000 0.641 169 V HN 0.299 8.489 8.190 -0.000 0.000 0.445 170 R N 0.146 120.687 120.500 0.068 0.000 2.075 170 R HA -0.116 4.220 4.340 -0.005 0.000 0.232 170 R C 2.396 178.704 176.300 0.013 0.000 1.126 170 R CA 1.651 57.770 56.100 0.032 0.000 0.963 170 R CB -0.734 29.579 30.300 0.022 0.000 0.858 170 R HN 0.563 8.833 8.270 -0.000 0.000 0.435 171 G N -0.067 108.767 108.800 0.057 0.000 2.418 171 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.217 171 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.217 171 G C 1.488 176.339 174.900 -0.082 0.000 1.158 171 G CA 0.778 45.846 45.100 -0.054 0.000 0.771 171 G HN 0.473 8.763 8.290 -0.000 0.000 0.545 172 A N 0.653 123.584 122.820 0.185 0.000 1.877 172 A HA -0.008 4.308 4.320 -0.005 0.000 0.216 172 A C 2.323 179.952 177.584 0.074 0.000 1.186 172 A CA 1.841 54.018 52.037 0.232 0.000 0.620 172 A CB -0.518 18.687 19.000 0.343 0.000 0.822 172 A HN 0.341 8.491 8.150 -0.000 0.000 0.443 173 R N -0.805 119.722 120.500 0.045 0.000 2.105 173 R HA -0.139 4.198 4.340 -0.005 0.000 0.239 173 R C 2.013 178.258 176.300 -0.092 0.000 1.135 173 R CA 2.041 58.136 56.100 -0.009 0.000 0.967 173 R CB -0.533 29.761 30.300 -0.009 0.000 0.861 173 R HN 0.506 8.776 8.270 -0.000 0.000 0.442 174 T N 0.174 114.623 114.554 -0.176 0.000 2.821 174 T HA -0.036 4.311 4.350 -0.005 0.000 0.267 174 T C 1.695 176.032 174.700 -0.604 0.000 1.046 174 T CA 1.182 63.076 62.100 -0.343 0.000 1.139 174 T CB -0.097 68.536 68.868 -0.390 0.000 0.871 174 T HN 0.444 8.684 8.240 -0.000 0.000 0.454 175 A N 0.754 123.239 122.820 -0.559 0.000 1.929 175 A HA 0.048 4.365 4.320 -0.005 0.000 0.216 175 A C 2.503 180.008 177.584 -0.132 0.000 1.176 175 A CA 0.924 52.614 52.037 -0.579 0.000 0.628 175 A CB -0.709 18.149 19.000 -0.237 0.000 0.816 175 A HN 0.351 8.501 8.150 -0.000 0.000 0.444 176 V N 0.423 120.317 119.914 -0.032 0.000 2.453 176 V HA -0.208 3.909 4.120 -0.005 0.000 0.247 176 V C 2.296 178.413 176.094 0.038 0.000 1.048 176 V CA 1.945 64.289 62.300 0.074 0.000 1.049 176 V CB -0.830 31.070 31.823 0.129 0.000 0.672 176 V HN 0.624 8.814 8.190 -0.000 0.000 0.457 177 E N -0.416 119.772 120.200 -0.019 0.000 2.118 177 E HA -0.296 4.051 4.350 -0.005 0.000 0.195 177 E C 2.093 178.713 176.600 0.033 0.000 0.992 177 E CA 1.865 58.257 56.400 -0.013 0.000 0.804 177 E CB -0.343 29.331 29.700 -0.043 0.000 0.741 177 E HN 0.780 9.140 8.360 -0.000 0.000 0.458 178 Y N 1.580 121.831 120.300 -0.082 0.000 2.181 178 Y HA -0.201 4.346 4.550 -0.005 0.000 0.288 178 Y C 2.002 177.950 175.900 0.079 0.000 1.146 178 Y CA 1.337 59.451 58.100 0.024 0.000 1.164 178 Y CB -0.161 38.368 38.460 0.114 0.000 0.982 178 Y HN -0.066 8.214 8.280 -0.000 0.000 0.515 179 L N -0.371 120.962 121.223 0.183 0.000 2.093 179 L HA -0.215 4.122 4.340 -0.005 0.000 0.208 179 L C 2.393 179.323 176.870 0.101 0.000 1.085 179 L CA 1.371 56.288 54.840 0.127 0.000 0.755 179 L CB -0.450 41.670 42.059 0.102 0.000 0.904 179 L HN 0.310 8.540 8.230 -0.000 0.000 0.435 180 I N -0.247 120.354 120.570 0.052 0.000 2.252 180 I HA -0.257 3.910 4.170 -0.005 0.000 0.245 180 I C 2.697 178.800 176.117 -0.022 0.000 1.102 180 I CA 1.138 62.453 61.300 0.027 0.000 1.385 180 I CB -0.365 37.639 38.000 0.006 0.000 1.064 180 I HN 0.175 8.385 8.210 -0.000 0.000 0.414 181 A N 0.428 123.211 122.820 -0.061 0.000 2.070 181 A HA -0.168 4.149 4.320 -0.005 0.000 0.220 181 A C 2.279 179.781 177.584 -0.138 0.000 1.159 181 A CA 1.288 53.268 52.037 -0.094 0.000 0.656 181 A CB -0.542 18.400 19.000 -0.096 0.000 0.800 181 A HN 0.337 8.487 8.150 -0.000 0.000 0.453 182 R N -1.628 118.770 120.500 -0.170 0.000 2.299 182 R HA 0.159 4.496 4.340 -0.005 0.000 0.197 182 R C 1.127 177.334 176.300 -0.156 0.000 0.971 182 R CA 0.603 56.602 56.100 -0.167 0.000 1.030 182 R CB -0.023 30.192 30.300 -0.141 0.000 0.932 182 R HN 0.687 8.957 8.270 -0.000 0.000 0.477 183 G N 0.509 109.235 108.800 -0.123 0.000 2.135 183 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.183 183 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.183 183 G C -0.406 174.362 174.900 -0.220 0.000 1.004 183 G CA -0.609 44.397 45.100 -0.156 0.000 0.677 183 G HN 0.347 8.637 8.290 -0.000 0.000 0.512 184 H N 0.524 119.560 119.070 -0.055 0.000 2.548 184 H HA 0.475 5.028 4.556 -0.005 0.000 0.331 184 H C 1.431 176.733 175.328 -0.042 0.000 1.093 184 H CA 0.941 56.958 56.048 -0.051 0.000 1.367 184 H CB 1.652 31.387 29.762 -0.045 0.000 1.455 184 H HN 0.388 8.668 8.280 -0.000 0.000 0.519 185 T N -0.040 114.547 114.554 0.055 0.000 3.028 185 T HA 0.122 4.468 4.350 -0.005 0.000 0.250 185 T C 0.902 175.604 174.700 0.003 0.000 0.979 185 T CA -0.307 61.821 62.100 0.045 0.000 1.004 185 T CB 0.535 69.431 68.868 0.047 0.000 1.120 185 T HN 0.330 8.570 8.240 -0.000 0.000 0.482 186 R N 1.514 121.945 120.500 -0.115 0.000 2.429 186 R HA 0.563 4.900 4.340 -0.005 0.000 0.302 186 R C -0.951 174.997 176.300 -0.587 0.000 1.268 186 R CA -0.034 55.737 56.100 -0.549 0.000 1.090 186 R CB -0.089 29.948 30.300 -0.438 0.000 1.102 186 R HN 0.469 8.739 8.270 -0.000 0.000 0.522 187 I N 1.387 121.648 120.570 -0.515 0.000 2.436 187 I HA 0.404 4.571 4.170 -0.005 0.000 0.289 187 I C 0.638 176.756 176.117 0.003 0.000 1.010 187 I CA -0.667 60.540 61.300 -0.155 0.000 1.098 187 I CB 2.206 40.273 38.000 0.112 0.000 1.266 187 I HN 0.532 8.742 8.210 -0.000 0.000 0.434 188 G N 3.859 112.595 108.800 -0.106 0.000 2.932 188 G HA2 0.887 4.844 3.960 -0.005 0.000 0.283 188 G HA3 0.887 4.844 3.960 -0.005 0.000 0.283 188 G C -1.547 173.148 174.900 -0.342 0.000 1.336 188 G CA -0.736 44.310 45.100 -0.090 0.000 1.056 188 G HN 0.750 9.040 8.290 -0.000 0.000 0.522 189 A N -0.143 122.426 122.820 -0.418 0.000 2.437 189 A HA 0.602 4.919 4.320 -0.005 0.000 0.293 189 A C -1.204 176.245 177.584 -0.225 0.000 1.038 189 A CA -0.461 51.297 52.037 -0.464 0.000 0.708 189 A CB 1.225 19.684 19.000 -0.902 0.000 1.251 189 A HN 0.511 8.661 8.150 -0.000 0.000 0.409 190 I N 3.879 124.365 120.570 -0.141 0.000 2.355 190 I HA 0.499 4.666 4.170 -0.005 0.000 0.288 190 I C 0.315 176.382 176.117 -0.083 0.000 0.999 190 I CA -0.589 60.662 61.300 -0.082 0.000 1.163 190 I CB 0.657 38.632 38.000 -0.043 0.000 1.316 190 I HN 0.531 8.741 8.210 -0.000 0.000 0.454 191 V N 3.036 122.901 119.914 -0.081 0.000 3.103 191 V HA 1.002 5.119 4.120 -0.005 0.000 0.318 191 V C 0.582 176.635 176.094 -0.068 0.000 1.114 191 V CA -0.592 61.656 62.300 -0.086 0.000 1.020 191 V CB 1.223 32.989 31.823 -0.096 0.000 1.085 191 V HN 0.722 8.912 8.190 -0.000 0.000 0.446 192 G N -0.014 108.739 108.800 -0.077 0.000 2.485 192 G HA2 0.313 4.270 3.960 -0.005 0.000 0.260 192 G HA3 0.313 4.270 3.960 -0.005 0.000 0.260 192 G C 0.311 175.184 174.900 -0.046 0.000 1.459 192 G CA 0.103 45.167 45.100 -0.060 0.000 1.060 192 G HN 1.360 9.650 8.290 -0.000 0.000 0.546 193 S N -0.444 115.236 115.700 -0.033 0.000 2.784 193 S HA 0.164 4.631 4.470 -0.005 0.000 0.322 193 S C 1.756 176.342 174.600 -0.024 0.000 1.234 193 S CA 0.427 58.614 58.200 -0.022 0.000 1.064 193 S CB 0.196 63.389 63.200 -0.011 0.000 0.787 193 S HN 1.159 9.469 8.310 -0.000 0.000 0.506 194 A N 5.066 127.875 122.820 -0.019 0.000 2.024 194 A HA 0.014 4.330 4.320 -0.005 0.000 0.220 194 A C 2.125 179.702 177.584 -0.011 0.000 1.164 194 A CA 1.776 53.803 52.037 -0.016 0.000 0.643 194 A CB -1.132 17.862 19.000 -0.010 0.000 0.806 194 A HN 1.074 9.224 8.150 -0.000 0.000 0.451 195 G N -0.880 107.917 108.800 -0.006 0.000 2.572 195 G HA2 0.245 4.202 3.960 -0.005 0.000 0.216 195 G HA3 0.245 4.202 3.960 -0.005 0.000 0.216 195 G C 0.663 175.565 174.900 0.004 0.000 1.133 195 G CA -0.153 44.948 45.100 0.002 0.000 0.791 195 G HN 0.428 8.718 8.290 -0.000 0.000 0.538 196 L N 0.546 121.767 121.223 -0.004 0.000 2.483 196 L HA 0.105 4.442 4.340 -0.005 0.000 0.275 196 L C 1.996 178.856 176.870 -0.017 0.000 1.220 196 L CA -0.379 54.458 54.840 -0.005 0.000 0.833 196 L CB 0.770 42.819 42.059 -0.017 0.000 1.102 196 L HN 0.089 8.319 8.230 -0.000 0.000 0.490 197 M N 0.988 120.580 119.600 -0.013 0.000 2.086 197 M HA -0.191 4.286 4.480 -0.005 0.000 0.261 197 M C 2.144 178.416 176.300 -0.047 0.000 1.067 197 M CA 2.545 57.833 55.300 -0.020 0.000 1.116 197 M CB -0.136 32.458 32.600 -0.011 0.000 1.348 197 M HN 1.002 9.292 8.290 -0.000 0.000 0.407 198 T N -1.551 112.960 114.554 -0.072 0.000 2.674 198 T HA -0.105 4.242 4.350 -0.005 0.000 0.265 198 T C 1.816 176.420 174.700 -0.161 0.000 1.039 198 T CA 1.923 63.940 62.100 -0.138 0.000 1.150 198 T CB -0.903 67.853 68.868 -0.188 0.000 0.864 198 T HN 0.438 8.678 8.240 -0.000 0.000 0.427 199 S N 1.472 117.096 115.700 -0.126 0.000 2.370 199 S HA -0.102 4.365 4.470 -0.005 0.000 0.226 199 S C 2.199 176.754 174.600 -0.074 0.000 1.033 199 S CA 1.444 59.578 58.200 -0.111 0.000 1.011 199 S CB -0.412 62.743 63.200 -0.075 0.000 0.852 199 S HN 0.466 8.776 8.310 -0.000 0.000 0.457 200 R N 1.025 121.496 120.500 -0.048 0.000 2.073 200 R HA -0.037 4.300 4.340 -0.005 0.000 0.234 200 R C 2.348 178.640 176.300 -0.013 0.000 1.134 200 R CA 1.499 57.587 56.100 -0.020 0.000 0.952 200 R CB -0.165 30.129 30.300 -0.011 0.000 0.850 200 R HN 0.487 8.757 8.270 -0.000 0.000 0.433 201 E N -0.628 119.554 120.200 -0.029 0.000 2.150 201 E HA -0.161 4.186 4.350 -0.005 0.000 0.193 201 E C 2.112 178.710 176.600 -0.005 0.000 0.985 201 E CA 0.872 57.265 56.400 -0.012 0.000 0.814 201 E CB 0.070 29.760 29.700 -0.018 0.000 0.752 201 E HN 0.266 8.626 8.360 -0.000 0.000 0.466 202 R N 0.208 120.668 120.500 -0.066 0.000 2.090 202 R HA -0.081 4.256 4.340 -0.005 0.000 0.228 202 R C 2.313 178.644 176.300 0.051 0.000 1.110 202 R CA 0.543 56.610 56.100 -0.056 0.000 0.973 202 R CB -0.206 29.924 30.300 -0.284 0.000 0.869 202 R HN 0.075 8.345 8.270 -0.000 0.000 0.440 203 L N 1.742 122.982 121.223 0.029 0.000 2.046 203 L HA -0.189 4.148 4.340 -0.005 0.000 0.208 203 L C 2.291 179.273 176.870 0.187 0.000 1.077 203 L CA 1.786 56.686 54.840 0.099 0.000 0.747 203 L CB -0.398 41.688 42.059 0.046 0.000 0.896 203 L HN 0.033 8.263 8.230 -0.000 0.000 0.432 204 K N -1.044 119.422 120.400 0.110 0.000 2.063 204 K HA -0.159 4.158 4.320 -0.005 0.000 0.208 204 K C 1.987 178.647 176.600 0.100 0.000 1.048 204 K CA 1.528 57.871 56.287 0.093 0.000 0.928 204 K CB -0.602 31.929 32.500 0.053 0.000 0.713 204 K HN 0.426 8.676 8.250 -0.000 0.000 0.442 205 G N 0.613 109.482 108.800 0.114 0.000 2.418 205 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.217 205 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.217 205 G C 1.320 176.302 174.900 0.136 0.000 1.158 205 G CA 0.723 45.889 45.100 0.110 0.000 0.771 205 G HN 0.440 8.730 8.290 -0.000 0.000 0.545 206 F N 1.651 121.628 119.950 0.044 0.000 2.095 206 F HA -0.062 4.462 4.527 -0.005 0.000 0.298 206 F C 2.808 178.635 175.800 0.046 0.000 1.104 206 F CA 1.792 59.820 58.000 0.047 0.000 1.232 206 F CB -0.141 38.893 39.000 0.056 0.000 0.987 206 F HN -0.002 8.298 8.300 -0.000 0.000 0.475 207 R N 0.103 120.581 120.500 -0.036 0.000 2.075 207 R HA -0.065 4.271 4.340 -0.005 0.000 0.232 207 R C 2.478 178.690 176.300 -0.146 0.000 1.126 207 R CA 1.107 57.116 56.100 -0.152 0.000 0.963 207 R CB -0.834 29.487 30.300 0.035 0.000 0.858 207 R HN 0.422 8.692 8.270 -0.000 0.000 0.435 208 A N 1.218 123.998 122.820 -0.067 0.000 1.933 208 A HA -0.090 4.227 4.320 -0.005 0.000 0.218 208 A C 2.344 179.881 177.584 -0.079 0.000 1.175 208 A CA 1.630 53.636 52.037 -0.052 0.000 0.628 208 A CB -0.516 18.474 19.000 -0.017 0.000 0.814 208 A HN 0.388 8.538 8.150 -0.000 0.000 0.444 209 A N -0.824 121.935 122.820 -0.102 0.000 1.873 209 A HA -0.089 4.228 4.320 -0.005 0.000 0.215 209 A C 2.186 179.689 177.584 -0.135 0.000 1.186 209 A CA 1.895 53.872 52.037 -0.101 0.000 0.616 209 A CB -0.460 18.488 19.000 -0.086 0.000 0.823 209 A HN 0.417 8.567 8.150 -0.000 0.000 0.442 210 M N -0.577 118.878 119.600 -0.242 0.000 2.132 210 M HA -0.072 4.405 4.480 -0.005 0.000 0.263 210 M C 2.439 178.665 176.300 -0.123 0.000 1.065 210 M CA 1.635 56.801 55.300 -0.224 0.000 1.122 210 M CB -1.540 30.822 32.600 -0.395 0.000 1.365 210 M HN 0.454 8.744 8.290 -0.000 0.000 0.411 211 S N 0.439 116.069 115.700 -0.116 0.000 2.356 211 S HA -0.070 4.397 4.470 -0.005 0.000 0.223 211 S C 1.962 176.533 174.600 -0.048 0.000 1.032 211 S CA 1.466 59.625 58.200 -0.068 0.000 1.005 211 S CB -0.128 63.037 63.200 -0.058 0.000 0.867 211 S HN 0.535 8.845 8.310 -0.000 0.000 0.449 212 A N 0.483 123.273 122.820 -0.050 0.000 2.015 212 A HA 0.253 4.570 4.320 -0.005 0.000 0.219 212 A C 2.090 179.655 177.584 -0.031 0.000 1.163 212 A CA 1.584 53.600 52.037 -0.036 0.000 0.646 212 A CB -0.673 18.306 19.000 -0.035 0.000 0.806 212 A HN 0.601 8.751 8.150 -0.000 0.000 0.448 213 A N -1.908 120.889 122.820 -0.037 0.000 2.238 213 A HA 0.429 4.746 4.320 -0.005 0.000 0.210 213 A C 1.720 179.293 177.584 -0.018 0.000 1.179 213 A CA 1.105 53.126 52.037 -0.027 0.000 0.827 213 A CB -0.744 18.239 19.000 -0.029 0.000 0.856 213 A HN 1.825 9.975 8.150 -0.000 0.000 0.488 214 G N -0.861 107.927 108.800 -0.021 0.000 2.147 214 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.244 214 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.244 214 G C -0.048 174.852 174.900 0.000 0.000 1.005 214 G CA 0.342 45.436 45.100 -0.011 0.000 0.713 214 G HN 0.437 8.727 8.290 -0.000 0.000 0.515 215 L N 1.667 122.890 121.223 -0.000 0.000 2.275 215 L HA 0.424 4.761 4.340 -0.005 0.000 0.288 215 L C -1.492 175.402 176.870 0.042 0.000 1.046 215 L CA -2.096 52.764 54.840 0.034 0.000 0.805 215 L CB 1.432 43.515 42.059 0.039 0.000 1.193 215 L HN -0.025 8.205 8.230 -0.000 0.000 0.426 216 P HA 0.115 4.535 4.420 -0.000 0.000 0.274 216 P C -0.954 176.403 177.300 0.095 0.000 1.231 216 P CA -0.250 62.873 63.100 0.038 0.000 0.790 216 P CB 1.946 33.650 31.700 0.006 0.000 0.951 217 V N 3.415 123.340 119.914 0.018 0.000 2.443 217 V HA 0.424 4.541 4.120 -0.005 0.000 0.293 217 V C -0.342 175.631 176.094 -0.202 0.000 1.021 217 V CA -0.948 61.399 62.300 0.078 0.000 0.848 217 V CB 1.258 33.222 31.823 0.235 0.000 0.998 217 V HN 0.361 8.551 8.190 -0.000 0.000 0.424 218 R N 4.644 124.690 120.500 -0.757 0.000 2.347 218 R HA 0.333 4.670 4.340 -0.005 0.000 0.304 218 R C 1.238 177.326 176.300 -0.353 0.000 1.072 218 R CA -0.262 55.381 56.100 -0.762 0.000 0.980 218 R CB 0.754 30.200 30.300 -1.423 0.000 0.986 218 R HN 0.727 8.997 8.270 -0.000 0.000 0.448 219 Q N 2.419 122.114 119.800 -0.174 0.000 2.197 219 Q HA -0.219 4.118 4.340 -0.005 0.000 0.207 219 Q C 1.087 177.076 176.000 -0.017 0.000 0.984 219 Q CA 1.582 57.358 55.803 -0.044 0.000 0.869 219 Q CB 0.134 28.847 28.738 -0.041 0.000 0.906 219 Q HN 0.687 8.957 8.270 -0.000 0.000 0.426 220 E N -1.598 118.551 120.200 -0.085 0.000 2.515 220 E HA -0.166 4.181 4.350 -0.005 0.000 0.201 220 E C 0.832 177.545 176.600 0.187 0.000 1.071 220 E CA 0.419 56.826 56.400 0.012 0.000 0.880 220 E CB -0.314 29.376 29.700 -0.017 0.000 0.828 220 E HN 0.380 8.740 8.360 -0.000 0.000 0.540 221 W N 1.003 122.322 121.300 0.031 0.000 3.197 221 W HA 0.306 4.963 4.660 -0.005 0.000 0.274 221 W C 0.547 177.048 176.519 -0.030 0.000 1.297 221 W CA -0.742 56.617 57.345 0.024 0.000 1.662 221 W CB 0.268 29.774 29.460 0.077 0.000 1.106 221 W HN -0.089 8.091 8.180 -0.000 0.000 0.663 222 I N 0.675 121.345 120.570 0.167 0.000 2.392 222 I HA 0.567 4.734 4.170 -0.005 0.000 0.295 222 I C 0.169 176.300 176.117 0.024 0.000 0.985 222 I CA -0.845 60.480 61.300 0.041 0.000 1.221 222 I CB 0.670 38.696 38.000 0.043 0.000 1.366 222 I HN -0.254 7.956 8.210 -0.000 0.000 0.467 223 A N 4.415 127.227 122.820 -0.012 0.000 2.515 223 A HA 0.946 5.263 4.320 -0.005 0.000 0.298 223 A C -0.881 176.687 177.584 -0.026 0.000 1.059 223 A CA -0.417 51.615 52.037 -0.008 0.000 0.698 223 A CB 2.009 21.010 19.000 0.002 0.000 1.289 223 A HN 0.856 9.006 8.150 -0.000 0.000 0.404 232 G N 2.417 111.207 108.800 -0.017 0.000 2.147 232 G HA2 -0.328 3.629 3.960 -0.005 0.000 0.244 232 G HA3 -0.328 3.629 3.960 -0.005 0.000 0.244 232 G C 0.584 175.481 174.900 -0.005 0.000 1.005 232 G CA 0.928 46.020 45.100 -0.013 0.000 0.713 232 G HN 0.453 8.743 8.290 -0.000 0.000 0.515 233 R N 0.023 120.521 120.500 -0.004 0.000 2.073 233 R HA -0.096 4.241 4.340 -0.005 0.000 0.234 233 R C 2.011 178.313 176.300 0.004 0.000 1.134 233 R CA 1.990 58.091 56.100 0.001 0.000 0.952 233 R CB -0.283 30.016 30.300 -0.001 0.000 0.850 233 R HN 0.360 8.630 8.270 -0.000 0.000 0.433 234 D N -0.501 119.900 120.400 0.002 0.000 2.144 234 D HA -0.102 4.535 4.640 -0.005 0.000 0.199 234 D C 1.717 178.022 176.300 0.008 0.000 0.984 234 D CA 1.527 55.530 54.000 0.005 0.000 0.834 234 D CB -0.538 40.263 40.800 0.003 0.000 0.955 234 D HN 0.522 8.892 8.370 -0.000 0.000 0.465 235 G N 0.789 109.592 108.800 0.005 0.000 2.421 235 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.216 235 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.216 235 G C 1.735 176.642 174.900 0.012 0.000 1.171 235 G CA 1.349 46.453 45.100 0.007 0.000 0.775 235 G HN 0.398 8.688 8.290 -0.000 0.000 0.543 236 A N 0.893 123.718 122.820 0.010 0.000 1.865 236 A HA -0.010 4.307 4.320 -0.005 0.000 0.217 236 A C 2.417 180.015 177.584 0.022 0.000 1.191 236 A CA 1.436 53.481 52.037 0.014 0.000 0.623 236 A CB -0.484 18.526 19.000 0.015 0.000 0.826 236 A HN 0.366 8.516 8.150 -0.000 0.000 0.444 237 I N -0.486 120.096 120.570 0.021 0.000 2.194 237 I HA -0.334 3.833 4.170 -0.005 0.000 0.246 237 I C 2.617 178.752 176.117 0.029 0.000 1.093 237 I CA 2.132 63.446 61.300 0.024 0.000 1.355 237 I CB -0.252 37.760 38.000 0.019 0.000 1.046 237 I HN 0.445 8.655 8.210 -0.000 0.000 0.413 238 K N 0.747 121.165 120.400 0.029 0.000 2.001 238 K HA -0.185 4.132 4.320 -0.005 0.000 0.208 238 K C 2.157 178.791 176.600 0.057 0.000 1.048 238 K CA 1.859 58.169 56.287 0.038 0.000 0.932 238 K CB -0.145 32.374 32.500 0.032 0.000 0.715 238 K HN 0.288 8.538 8.250 -0.000 0.000 0.437 239 V N 0.434 120.385 119.914 0.062 0.000 2.626 239 V HA -0.112 4.005 4.120 -0.005 0.000 0.252 239 V C 1.668 177.816 176.094 0.089 0.000 1.067 239 V CA 1.442 63.801 62.300 0.099 0.000 1.081 239 V CB -0.325 31.562 31.823 0.106 0.000 0.686 239 V HN 0.287 8.477 8.190 -0.000 0.000 0.468 240 L N 1.316 122.571 121.223 0.053 0.000 2.554 240 L HA 0.090 4.427 4.340 -0.005 0.000 0.226 240 L C 2.057 178.956 176.870 0.048 0.000 1.137 240 L CA 1.157 56.021 54.840 0.040 0.000 0.863 240 L CB -0.377 41.698 42.059 0.027 0.000 0.985 240 L HN 0.622 8.852 8.230 -0.000 0.000 0.451 241 T N -3.568 111.019 114.554 0.055 0.000 3.176 241 T HA 0.266 4.613 4.350 -0.005 0.000 0.263 241 T C 0.905 175.644 174.700 0.065 0.000 1.021 241 T CA -0.110 62.021 62.100 0.052 0.000 0.905 241 T CB 0.093 68.986 68.868 0.041 0.000 1.057 241 T HN 0.150 8.390 8.240 -0.000 0.000 0.558 245 R N 0.061 120.664 120.500 0.171 0.000 2.698 245 R HA 0.399 4.736 4.340 -0.005 0.000 0.266 245 R C -2.288 173.937 176.300 -0.126 0.000 1.026 245 R CA -0.631 55.512 56.100 0.072 0.000 1.102 245 R CB -0.175 30.152 30.300 0.044 0.000 0.978 245 R HN -0.103 8.167 8.270 -0.000 0.000 0.436 246 P HA 0.019 4.439 4.420 -0.000 0.000 0.272 246 P C 0.002 177.180 177.300 -0.203 0.000 1.230 246 P CA -0.263 62.542 63.100 -0.491 0.000 0.788 246 P CB 0.884 32.228 31.700 -0.593 0.000 0.949 247 T N -2.682 111.796 114.554 -0.126 0.000 3.040 247 T HA 0.537 4.884 4.350 -0.005 0.000 0.250 247 T C 0.489 175.153 174.700 -0.060 0.000 1.058 247 T CA -0.045 62.067 62.100 0.020 0.000 0.988 247 T CB 0.014 68.999 68.868 0.195 0.000 0.993 247 T HN 0.578 8.818 8.240 -0.000 0.000 0.519 248 A N 0.855 123.552 122.820 -0.204 0.000 2.572 248 A HA 0.744 5.061 4.320 -0.005 0.000 0.295 248 A C -1.949 175.526 177.584 -0.181 0.000 1.072 248 A CA -0.770 51.068 52.037 -0.332 0.000 0.691 248 A CB 1.470 20.033 19.000 -0.727 0.000 1.291 248 A HN 0.188 8.338 8.150 -0.000 0.000 0.404 249 L N 1.066 122.223 121.223 -0.111 0.000 2.422 249 L HA 0.615 4.952 4.340 -0.005 0.000 0.264 249 L C -0.806 176.052 176.870 -0.020 0.000 0.984 249 L CA -0.500 54.299 54.840 -0.068 0.000 0.819 249 L CB 1.646 43.681 42.059 -0.040 0.000 1.330 249 L HN 0.779 9.009 8.230 -0.000 0.000 0.410 250 L N 2.785 123.986 121.223 -0.036 0.000 2.275 250 L HA 0.740 5.077 4.340 -0.005 0.000 0.288 250 L C 0.110 176.977 176.870 -0.006 0.000 1.046 250 L CA 0.276 55.128 54.840 0.020 0.000 0.805 250 L CB 1.402 43.493 42.059 0.055 0.000 1.193 250 L HN 0.804 9.034 8.230 -0.000 0.000 0.426 251 T N 0.480 115.068 114.554 0.057 0.000 2.859 251 T HA 0.398 4.745 4.350 -0.005 0.000 0.281 251 T C 0.894 175.645 174.700 0.084 0.000 1.005 251 T CA -0.081 62.045 62.100 0.043 0.000 1.025 251 T CB 1.334 70.235 68.868 0.055 0.000 0.977 251 T HN 0.692 8.932 8.240 -0.000 0.000 0.458 252 S N 0.957 116.653 115.700 -0.007 0.000 2.558 252 S HA 0.304 4.771 4.470 -0.005 0.000 0.217 252 S C 0.778 175.314 174.600 -0.107 0.000 0.975 252 S CA 0.055 58.188 58.200 -0.110 0.000 0.912 252 S CB -0.579 62.492 63.200 -0.214 0.000 0.776 252 S HN 1.321 9.631 8.310 -0.000 0.000 0.526 253 S N -0.026 115.671 115.700 -0.004 0.000 2.611 253 S HA 0.373 4.840 4.470 -0.005 0.000 0.268 253 S C 0.457 175.100 174.600 0.072 0.000 1.156 253 S CA -0.245 57.973 58.200 0.029 0.000 0.817 253 S CB 0.192 63.331 63.200 -0.102 0.000 1.122 253 S HN 0.482 8.792 8.310 -0.000 0.000 0.466 254 H N 0.728 119.839 119.070 0.068 0.000 2.387 254 H HA 0.109 4.661 4.556 -0.005 0.000 0.299 254 H C 1.967 177.398 175.328 0.172 0.000 1.099 254 H CA 1.641 57.766 56.048 0.128 0.000 1.315 254 H CB -0.143 29.704 29.762 0.141 0.000 1.380 254 H HN 0.564 8.844 8.280 -0.000 0.000 0.513 255 R N 0.519 120.720 120.500 -0.498 0.000 2.090 255 R HA 0.046 4.383 4.340 -0.005 0.000 0.228 255 R C 2.052 178.298 176.300 -0.091 0.000 1.110 255 R CA 1.330 57.250 56.100 -0.301 0.000 0.973 255 R CB -0.153 29.935 30.300 -0.353 0.000 0.869 255 R HN 0.430 8.700 8.270 -0.000 0.000 0.440 256 I N -0.239 120.288 120.570 -0.073 0.000 2.394 256 I HA -0.208 3.959 4.170 -0.005 0.000 0.251 256 I C 1.750 177.883 176.117 0.027 0.000 1.136 256 I CA 1.205 62.491 61.300 -0.024 0.000 1.425 256 I CB -0.069 37.911 38.000 -0.034 0.000 1.079 256 I HN 0.193 8.403 8.210 -0.000 0.000 0.425 257 T N 0.025 114.625 114.554 0.077 0.000 2.821 257 T HA -0.137 4.210 4.350 -0.005 0.000 0.267 257 T C 1.703 176.505 174.700 0.171 0.000 1.046 257 T CA 1.147 63.331 62.100 0.140 0.000 1.139 257 T CB -0.169 68.811 68.868 0.186 0.000 0.871 257 T HN 0.402 8.642 8.240 -0.000 0.000 0.454 258 E N 0.602 120.900 120.200 0.163 0.000 2.058 258 E HA -0.104 4.243 4.350 -0.005 0.000 0.194 258 E C 2.527 179.134 176.600 0.012 0.000 0.997 258 E CA 1.085 57.519 56.400 0.056 0.000 0.801 258 E CB -0.366 29.336 29.700 0.003 0.000 0.746 258 E HN 0.529 8.889 8.360 -0.000 0.000 0.450 259 G N 0.919 109.726 108.800 0.012 0.000 2.408 259 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.217 259 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.217 259 G C 1.680 176.588 174.900 0.014 0.000 1.150 259 G CA 0.726 45.827 45.100 0.002 0.000 0.776 259 G HN 0.337 8.627 8.290 -0.000 0.000 0.542 260 A N 0.826 123.664 122.820 0.030 0.000 1.902 260 A HA -0.004 4.313 4.320 -0.005 0.000 0.217 260 A C 2.415 180.029 177.584 0.050 0.000 1.181 260 A CA 1.912 53.974 52.037 0.041 0.000 0.623 260 A CB -0.335 18.696 19.000 0.052 0.000 0.818 260 A HN 0.289 8.439 8.150 -0.000 0.000 0.443 261 M N -0.614 119.016 119.600 0.050 0.000 2.213 261 M HA -0.167 4.310 4.480 -0.005 0.000 0.263 261 M C 2.177 178.487 176.300 0.017 0.000 1.062 261 M CA 1.461 56.782 55.300 0.036 0.000 1.105 261 M CB -1.408 31.196 32.600 0.007 0.000 1.385 261 M HN 0.544 8.834 8.290 -0.000 0.000 0.417 262 Q N -0.252 119.549 119.800 0.002 0.000 2.119 262 Q HA -0.037 4.300 4.340 -0.005 0.000 0.201 262 Q C 2.248 178.254 176.000 0.010 0.000 0.972 262 Q CA 1.641 57.442 55.803 -0.004 0.000 0.847 262 Q CB -0.240 28.489 28.738 -0.015 0.000 0.903 262 Q HN 0.575 8.845 8.270 -0.000 0.000 0.433 263 A N 0.714 123.545 122.820 0.018 0.000 1.933 263 A HA -0.160 4.157 4.320 -0.005 0.000 0.218 263 A C 2.021 179.624 177.584 0.031 0.000 1.175 263 A CA 1.009 53.059 52.037 0.023 0.000 0.628 263 A CB -0.645 18.370 19.000 0.024 0.000 0.814 263 A HN 0.279 8.429 8.150 -0.000 0.000 0.444 264 L N 0.582 121.831 121.223 0.044 0.000 1.970 264 L HA -0.251 4.086 4.340 -0.005 0.000 0.212 264 L C 2.502 179.399 176.870 0.046 0.000 1.071 264 L CA 1.937 56.812 54.840 0.057 0.000 0.751 264 L CB -0.771 41.343 42.059 0.092 0.000 0.889 264 L HN 0.742 8.972 8.230 -0.000 0.000 0.432 265 N N -0.582 118.142 118.700 0.040 0.000 2.515 265 N HA -0.092 4.645 4.740 -0.005 0.000 0.185 265 N C 1.561 177.084 175.510 0.022 0.000 1.109 265 N CA 0.531 53.600 53.050 0.031 0.000 0.903 265 N CB 0.152 38.657 38.487 0.030 0.000 0.969 265 N HN 0.162 8.542 8.380 -0.000 0.000 0.450 266 V N 1.347 121.272 119.914 0.019 0.000 2.427 266 V HA -0.098 4.019 4.120 -0.005 0.000 0.248 266 V C 2.187 178.292 176.094 0.019 0.000 1.051 266 V CA 1.176 63.485 62.300 0.015 0.000 1.048 266 V CB -0.260 31.571 31.823 0.013 0.000 0.666 266 V HN 0.342 8.532 8.190 -0.000 0.000 0.456 267 L N 0.025 121.263 121.223 0.024 0.000 2.592 267 L HA 0.303 4.640 4.340 -0.005 0.000 0.227 267 L C 1.671 178.557 176.870 0.026 0.000 1.127 267 L CA 0.761 55.616 54.840 0.025 0.000 0.884 267 L CB -0.323 41.753 42.059 0.028 0.000 1.065 267 L HN 0.535 8.765 8.230 -0.000 0.000 0.457 268 G N 0.755 109.572 108.800 0.027 0.000 2.179 268 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.257 268 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.257 268 G C 0.226 175.146 174.900 0.033 0.000 1.010 268 G CA 0.146 45.263 45.100 0.028 0.000 0.736 268 G HN 0.253 8.543 8.290 -0.000 0.000 0.513 269 L N -1.198 120.049 121.223 0.040 0.000 2.431 269 L HA 0.678 5.015 4.340 -0.005 0.000 0.260 269 L C 1.032 177.939 176.870 0.060 0.000 1.098 269 L CA -0.950 53.917 54.840 0.044 0.000 0.800 269 L CB 0.953 43.038 42.059 0.044 0.000 1.210 269 L HN 0.086 8.316 8.230 -0.000 0.000 0.465 270 R N 0.614 121.148 120.500 0.058 0.000 2.320 270 R HA 0.221 4.558 4.340 -0.005 0.000 0.319 270 R C -1.096 175.254 176.300 0.082 0.000 0.969 270 R CA -0.653 55.492 56.100 0.074 0.000 0.857 270 R CB 1.034 31.362 30.300 0.046 0.000 1.160 270 R HN 0.377 8.647 8.270 -0.000 0.000 0.491 271 Y N 3.204 123.532 120.300 0.047 0.000 2.881 271 Y HA 0.027 4.574 4.550 -0.005 0.000 0.335 271 Y C 1.128 177.064 175.900 0.060 0.000 1.263 271 Y CA 2.261 60.395 58.100 0.056 0.000 1.572 271 Y CB 0.192 38.695 38.460 0.072 0.000 1.237 271 Y HN 0.901 9.181 8.280 -0.000 0.000 0.568 272 G N 4.555 112.901 108.800 -0.757 0.000 2.938 272 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.234 272 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.234 272 G C -1.471 173.314 174.900 -0.192 0.000 1.707 272 G CA -0.163 44.632 45.100 -0.507 0.000 1.299 272 G HN 0.508 8.798 8.290 -0.000 0.000 0.515 273 P HA 0.068 4.488 4.420 -0.000 0.000 0.215 273 P C 1.033 178.322 177.300 -0.020 0.000 1.153 273 P CA 1.987 65.062 63.100 -0.042 0.000 0.853 273 P CB -0.094 31.591 31.700 -0.024 0.000 0.788 274 D N -1.576 118.815 120.400 -0.015 0.000 2.262 274 D HA 0.057 4.694 4.640 -0.005 0.000 0.212 274 D C 0.360 176.666 176.300 0.010 0.000 0.964 274 D CA 0.870 54.873 54.000 0.005 0.000 0.875 274 D CB 0.356 41.165 40.800 0.016 0.000 0.996 274 D HN 0.011 8.381 8.370 -0.000 0.000 0.497 275 V N 1.328 121.239 119.914 -0.006 0.000 2.612 275 V HA 0.211 4.328 4.120 -0.005 0.000 0.301 275 V C -0.364 175.696 176.094 -0.056 0.000 1.059 275 V CA -0.823 61.474 62.300 -0.006 0.000 0.886 275 V CB 2.803 34.644 31.823 0.029 0.000 1.007 275 V HN -0.139 8.051 8.190 -0.000 0.000 0.426 276 E N 3.701 123.849 120.200 -0.085 0.000 2.283 276 E HA 0.700 5.047 4.350 -0.005 0.000 0.267 276 E C -1.123 175.480 176.600 0.006 0.000 1.045 276 E CA -0.624 55.717 56.400 -0.098 0.000 0.884 276 E CB 2.211 31.856 29.700 -0.092 0.000 1.106 276 E HN 0.529 8.889 8.360 -0.000 0.000 0.408 277 I N 1.956 122.627 120.570 0.168 0.000 2.534 277 I HA 0.222 4.389 4.170 -0.005 0.000 0.288 277 I C -0.793 175.415 176.117 0.152 0.000 1.077 277 I CA -1.064 60.337 61.300 0.168 0.000 1.051 277 I CB 1.843 39.982 38.000 0.231 0.000 1.234 277 I HN 0.230 8.440 8.210 -0.000 0.000 0.425 278 V N 2.269 122.252 119.914 0.115 0.000 2.483 278 V HA 0.799 4.916 4.120 -0.005 0.000 0.295 278 V C -0.221 175.932 176.094 0.099 0.000 1.035 278 V CA -0.266 62.102 62.300 0.114 0.000 0.896 278 V CB 1.507 33.424 31.823 0.156 0.000 0.986 278 V HN 0.755 8.945 8.190 -0.000 0.000 0.447 279 S N 3.644 119.383 115.700 0.065 0.000 2.634 279 S HA 0.796 5.263 4.470 -0.005 0.000 0.296 279 S C -0.897 173.761 174.600 0.096 0.000 1.104 279 S CA -0.624 57.636 58.200 0.101 0.000 0.920 279 S CB 1.542 64.770 63.200 0.048 0.000 1.111 279 S HN 0.619 8.929 8.310 -0.000 0.000 0.493 280 F N 2.153 122.106 119.950 0.005 0.000 2.371 280 F HA 0.425 4.949 4.527 -0.006 0.000 0.329 280 F C 0.185 175.987 175.800 0.003 0.000 1.107 280 F CA 0.470 58.472 58.000 0.003 0.000 1.137 280 F CB 0.706 39.696 39.000 -0.016 0.000 1.214 280 F HN 0.596 8.896 8.300 -0.000 0.000 0.536 281 D N 1.349 121.833 120.400 0.140 0.000 8.719 281 D HA -0.198 4.439 4.640 -0.005 0.000 0.263 281 D C -1.372 174.894 176.300 -0.058 0.000 2.428 281 D CA -0.095 53.954 54.000 0.081 0.000 2.301 281 D CB -0.410 40.487 40.800 0.161 0.000 0.911 281 D HN 0.421 8.791 8.370 -0.000 0.000 0.614 282 N N 2.685 121.328 118.700 -0.096 0.000 2.645 282 N HA 0.255 4.992 4.740 -0.005 0.000 0.233 282 N C -0.778 174.609 175.510 -0.205 0.000 1.058 282 N CA -0.311 52.647 53.050 -0.155 0.000 0.942 282 N CB 0.333 38.744 38.487 -0.126 0.000 1.210 282 N HN 0.314 8.694 8.380 -0.000 0.000 0.512 283 L N 4.573 125.595 121.223 -0.335 0.000 2.295 283 L HA 0.409 4.746 4.340 -0.005 0.000 0.285 283 L C -1.159 175.399 176.870 -0.519 0.000 1.035 283 L CA -1.652 52.946 54.840 -0.403 0.000 0.806 283 L CB 1.560 43.304 42.059 -0.524 0.000 1.214 283 L HN 0.285 8.515 8.230 -0.000 0.000 0.426 284 P HA -0.191 4.229 4.420 -0.000 0.000 0.217 284 P C 1.583 178.323 177.300 -0.932 0.000 1.148 284 P CA 1.487 64.311 63.100 -0.459 0.000 0.834 284 P CB -0.049 31.535 31.700 -0.193 0.000 0.783 285 W N -0.879 119.986 121.300 -0.724 0.000 2.374 285 W HA -0.074 4.582 4.660 -0.006 0.000 0.288 285 W C 1.492 177.597 176.519 -0.690 0.000 1.218 285 W CA 0.633 57.439 57.345 -0.899 0.000 1.245 285 W CB -1.725 27.597 29.460 -0.231 0.000 1.126 285 W HN -0.054 8.126 8.180 -0.000 0.000 0.545 286 M N 1.609 120.508 119.600 -1.168 0.000 2.260 286 M HA -0.156 4.321 4.480 -0.005 0.000 0.261 286 M C 2.406 178.331 176.300 -0.625 0.000 1.066 286 M CA 2.359 57.099 55.300 -0.932 0.000 1.082 286 M CB -0.636 31.408 32.600 -0.928 0.000 1.388 286 M HN 0.096 8.386 8.290 -0.000 0.000 0.419 287 A N -0.887 121.464 122.820 -0.781 0.000 2.235 287 A HA 0.017 4.334 4.320 -0.005 0.000 0.208 287 A C 1.218 178.686 177.584 -0.194 0.000 1.172 287 A CA 0.657 52.286 52.037 -0.680 0.000 0.786 287 A CB -0.581 17.986 19.000 -0.721 0.000 0.804 287 A HN 0.420 8.570 8.150 -0.000 0.000 0.479 288 F N -1.043 118.849 119.950 -0.096 0.000 2.731 288 F HA 0.316 4.840 4.527 -0.005 0.000 0.298 288 F C 0.568 176.381 175.800 0.022 0.000 1.106 288 F CA -1.244 56.749 58.000 -0.012 0.000 1.329 288 F CB -0.368 38.661 39.000 0.048 0.000 1.100 288 F HN -0.007 8.293 8.300 -0.000 0.000 0.592 289 L N 0.246 121.574 121.223 0.175 0.000 2.475 289 L HA 0.213 4.550 4.340 -0.005 0.000 0.253 289 L C -0.211 176.792 176.870 0.222 0.000 1.198 289 L CA -0.257 54.691 54.840 0.179 0.000 0.814 289 L CB 0.327 42.414 42.059 0.046 0.000 1.134 289 L HN -0.035 8.195 8.230 -0.000 0.000 0.478 290 D N 1.743 122.322 120.400 0.299 0.000 2.505 290 D HA 0.424 5.061 4.640 -0.005 0.000 0.250 290 D C -2.494 173.944 176.300 0.230 0.000 1.164 290 D CA -1.292 52.842 54.000 0.224 0.000 0.870 290 D CB 1.356 42.243 40.800 0.145 0.000 1.160 290 D HN 0.243 8.613 8.370 -0.000 0.000 0.549 291 P HA 0.317 4.737 4.420 -0.000 0.000 0.274 291 P C -2.640 174.812 177.300 0.253 0.000 1.237 291 P CA -1.505 61.694 63.100 0.165 0.000 0.793 291 P CB 0.062 31.826 31.700 0.107 0.000 0.977 292 P HA 0.015 4.435 4.420 -0.000 0.000 0.263 292 P C -0.073 177.302 177.300 0.125 0.000 1.175 292 P CA 0.370 63.496 63.100 0.043 0.000 0.761 292 P CB 0.158 31.837 31.700 -0.035 0.000 0.794 293 L N 7.017 128.256 121.223 0.027 0.000 2.369 293 L HA 0.234 4.571 4.340 -0.005 0.000 0.279 293 L C -2.031 174.872 176.870 0.055 0.000 1.108 293 L CA -1.706 53.168 54.840 0.058 0.000 0.852 293 L CB 0.369 42.354 42.059 -0.123 0.000 1.169 293 L HN 0.267 8.497 8.230 -0.000 0.000 0.452 294 P HA 0.165 4.585 4.420 -0.000 0.000 0.271 294 P C -1.357 175.804 177.300 -0.230 0.000 1.216 294 P CA -0.148 62.775 63.100 -0.295 0.000 0.776 294 P CB 1.063 32.444 31.700 -0.533 0.000 0.881 295 V N 1.289 120.975 119.914 -0.380 0.000 3.007 295 V HA 0.524 4.641 4.120 -0.005 0.000 0.311 295 V C -0.263 175.701 176.094 -0.217 0.000 1.120 295 V CA -1.239 60.927 62.300 -0.224 0.000 0.980 295 V CB 2.073 33.775 31.823 -0.202 0.000 1.033 295 V HN 0.381 8.571 8.190 -0.000 0.000 0.429 296 V N 1.895 121.671 119.914 -0.230 0.000 2.348 296 V HA 0.492 4.609 4.120 -0.005 0.000 0.270 296 V C 0.100 176.043 176.094 -0.251 0.000 1.037 296 V CA 0.026 62.130 62.300 -0.328 0.000 0.872 296 V CB 0.947 32.305 31.823 -0.775 0.000 1.002 296 V HN 1.121 9.311 8.190 -0.000 0.000 0.464 297 E N 5.363 125.470 120.200 -0.154 0.000 2.313 297 E HA 0.328 4.675 4.350 -0.005 0.000 0.276 297 E C -0.519 176.071 176.600 -0.016 0.000 1.031 297 E CA -0.482 55.870 56.400 -0.081 0.000 0.857 297 E CB 0.910 30.552 29.700 -0.097 0.000 1.040 297 E HN 0.835 9.195 8.360 -0.000 0.000 0.408 298 Q N 4.244 124.081 119.800 0.061 0.000 2.245 298 Q HA 0.292 4.629 4.340 -0.005 0.000 0.256 298 Q C -2.049 173.984 176.000 0.056 0.000 0.942 298 Q CA -2.108 53.767 55.803 0.119 0.000 0.896 298 Q CB 1.701 30.604 28.738 0.274 0.000 1.272 298 Q HN 0.461 8.731 8.270 -0.000 0.000 0.442 299 P HA -0.007 4.413 4.420 -0.000 0.000 0.225 299 P C 0.679 177.953 177.300 -0.043 0.000 1.813 299 P CA 0.025 63.120 63.100 -0.009 0.000 1.013 299 P CB -0.232 31.467 31.700 -0.002 0.000 1.961 300 T N -0.274 114.226 114.554 -0.090 0.000 2.665 300 T HA -0.223 4.124 4.350 -0.005 0.000 0.268 300 T C 1.803 176.384 174.700 -0.200 0.000 1.035 300 T CA 1.111 63.066 62.100 -0.243 0.000 1.151 300 T CB -0.463 68.189 68.868 -0.360 0.000 0.862 300 T HN 0.176 8.416 8.240 -0.000 0.000 0.438 301 R N 0.415 120.834 120.500 -0.135 0.000 2.115 301 R HA 0.199 4.536 4.340 -0.005 0.000 0.226 301 R C 2.792 179.038 176.300 -0.089 0.000 1.100 301 R CA 1.043 57.077 56.100 -0.110 0.000 0.980 301 R CB -0.221 30.027 30.300 -0.085 0.000 0.875 301 R HN 0.297 8.567 8.270 -0.000 0.000 0.445 302 R N 1.145 121.602 120.500 -0.072 0.000 2.092 302 R HA -0.023 4.314 4.340 -0.005 0.000 0.231 302 R C 1.824 178.097 176.300 -0.046 0.000 1.119 302 R CA 1.273 57.341 56.100 -0.053 0.000 0.970 302 R CB -0.379 29.899 30.300 -0.036 0.000 0.864 302 R HN 0.151 8.421 8.270 -0.000 0.000 0.440 303 I N -0.185 120.355 120.570 -0.049 0.000 2.163 303 I HA -0.233 3.934 4.170 -0.005 0.000 0.243 303 I C 2.313 178.405 176.117 -0.042 0.000 1.085 303 I CA 1.756 63.037 61.300 -0.031 0.000 1.347 303 I CB -0.713 37.270 38.000 -0.027 0.000 1.044 303 I HN 0.449 8.659 8.210 -0.000 0.000 0.408 304 G N -0.278 108.479 108.800 -0.072 0.000 2.421 304 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.216 304 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.216 304 G C 1.546 176.408 174.900 -0.064 0.000 1.171 304 G CA 0.865 45.928 45.100 -0.063 0.000 0.775 304 G HN 0.459 8.749 8.290 -0.000 0.000 0.543 305 Q N -0.147 119.608 119.800 -0.074 0.000 2.084 305 Q HA -0.136 4.201 4.340 -0.005 0.000 0.202 305 Q C 2.277 178.236 176.000 -0.069 0.000 0.978 305 Q CA 1.505 57.257 55.803 -0.085 0.000 0.844 305 Q CB -0.122 28.561 28.738 -0.092 0.000 0.898 305 Q HN 0.374 8.644 8.270 -0.000 0.000 0.426 306 E N 0.131 120.302 120.200 -0.047 0.000 2.208 306 E HA -0.101 4.246 4.350 -0.005 0.000 0.193 306 E C 1.785 178.368 176.600 -0.028 0.000 0.988 306 E CA 0.931 57.314 56.400 -0.027 0.000 0.828 306 E CB -0.112 29.581 29.700 -0.012 0.000 0.763 306 E HN 0.499 8.859 8.360 -0.000 0.000 0.478 307 A N 0.867 123.666 122.820 -0.035 0.000 1.897 307 A HA -0.133 4.184 4.320 -0.005 0.000 0.215 307 A C 2.168 179.712 177.584 -0.067 0.000 1.181 307 A CA 1.456 53.472 52.037 -0.035 0.000 0.620 307 A CB -0.311 18.676 19.000 -0.021 0.000 0.821 307 A HN 0.164 8.314 8.150 -0.000 0.000 0.443 308 M N -0.046 119.502 119.600 -0.088 0.000 2.099 308 M HA -0.051 4.426 4.480 -0.005 0.000 0.262 308 M C 2.040 178.238 176.300 -0.171 0.000 1.067 308 M CA 1.470 56.686 55.300 -0.141 0.000 1.124 308 M CB -0.597 31.919 32.600 -0.141 0.000 1.353 308 M HN 0.386 8.676 8.290 -0.000 0.000 0.410 309 R N -0.856 119.567 120.500 -0.128 0.000 2.083 309 R HA -0.197 4.140 4.340 -0.005 0.000 0.237 309 R C 2.387 178.641 176.300 -0.078 0.000 1.137 309 R CA 2.131 58.150 56.100 -0.136 0.000 0.951 309 R CB -0.644 29.628 30.300 -0.047 0.000 0.851 309 R HN 0.499 8.769 8.270 -0.000 0.000 0.434 310 M N 0.529 120.132 119.600 0.005 0.000 2.229 310 M HA -0.142 4.335 4.480 -0.005 0.000 0.264 310 M C 2.001 178.294 176.300 -0.012 0.000 1.063 310 M CA 1.392 56.727 55.300 0.058 0.000 1.114 310 M CB 0.030 32.647 32.600 0.028 0.000 1.387 310 M HN 0.177 8.467 8.290 -0.000 0.000 0.420 311 L N 0.761 121.930 121.223 -0.091 0.000 2.093 311 L HA -0.079 4.258 4.340 -0.005 0.000 0.208 311 L C 1.976 178.740 176.870 -0.177 0.000 1.085 311 L CA 1.648 56.407 54.840 -0.135 0.000 0.755 311 L CB -0.430 41.527 42.059 -0.169 0.000 0.904 311 L HN 0.335 8.565 8.230 -0.000 0.000 0.435 312 I N -1.240 119.175 120.570 -0.258 0.000 2.202 312 I HA -0.291 3.876 4.170 -0.005 0.000 0.242 312 I C 2.441 178.455 176.117 -0.171 0.000 1.091 312 I CA 0.898 62.013 61.300 -0.309 0.000 1.368 312 I CB -0.613 37.142 38.000 -0.408 0.000 1.058 312 I HN 0.353 8.563 8.210 -0.000 0.000 0.410 313 H N 0.509 119.543 119.070 -0.060 0.000 2.319 313 H HA -0.196 4.358 4.556 -0.003 0.000 0.297 313 H C 2.383 177.694 175.328 -0.027 0.000 1.097 313 H CA 1.764 57.794 56.048 -0.030 0.000 1.285 313 H CB -0.461 29.284 29.762 -0.029 0.000 1.368 313 H HN 0.354 8.634 8.280 -0.000 0.000 0.495 314 M N -0.198 119.449 119.600 0.078 0.000 2.117 314 M HA -0.129 4.348 4.480 -0.005 0.000 0.262 314 M C 2.530 178.837 176.300 0.012 0.000 1.065 314 M CA 1.460 56.774 55.300 0.023 0.000 1.114 314 M CB -0.241 32.346 32.600 -0.022 0.000 1.361 314 M HN 0.099 8.389 8.290 -0.000 0.000 0.408 315 I N -0.235 120.331 120.570 -0.007 0.000 2.315 315 I HA -0.224 3.943 4.170 -0.005 0.000 0.248 315 I C 1.764 177.917 176.117 0.060 0.000 1.117 315 I CA 1.352 62.664 61.300 0.021 0.000 1.404 315 I CB -0.263 37.755 38.000 0.030 0.000 1.071 315 I HN 0.315 8.525 8.210 -0.000 0.000 0.419 316 E N 0.311 120.551 120.200 0.066 0.000 2.474 316 E HA 0.145 4.492 4.350 -0.005 0.000 0.195 316 E C 1.109 177.751 176.600 0.071 0.000 1.039 316 E CA 0.441 56.888 56.400 0.078 0.000 0.881 316 E CB 0.499 30.252 29.700 0.087 0.000 0.970 316 E HN 0.512 8.872 8.360 -0.000 0.000 0.486 317 G N 2.302 111.143 108.800 0.068 0.000 2.198 317 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.257 317 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.257 317 G C 0.812 175.750 174.900 0.063 0.000 1.042 317 G CA 0.799 45.934 45.100 0.057 0.000 0.791 317 G HN 0.379 8.669 8.290 -0.000 0.000 0.502 318 T N -2.934 111.682 114.554 0.104 0.000 3.085 318 T HA 0.608 4.955 4.350 -0.005 0.000 0.264 318 T C 1.003 175.716 174.700 0.021 0.000 1.019 318 T CA 0.708 62.872 62.100 0.106 0.000 0.910 318 T CB 1.446 70.440 68.868 0.211 0.000 1.059 318 T HN 1.837 10.077 8.240 -0.000 0.000 0.542 319 G N 0.450 109.262 108.800 0.020 0.000 2.523 319 G HA2 0.522 4.479 3.960 -0.005 0.000 0.291 319 G HA3 0.522 4.479 3.960 -0.005 0.000 0.291 319 G C -2.111 172.782 174.900 -0.013 0.000 1.450 319 G CA -0.946 44.111 45.100 -0.073 0.000 0.790 319 G HN 0.127 8.417 8.290 -0.000 0.000 0.496 320 N N -0.449 118.229 118.700 -0.036 0.000 2.459 320 N HA 0.720 5.457 4.740 -0.005 0.000 0.288 320 N C 0.328 175.832 175.510 -0.011 0.000 1.186 320 N CA 0.055 53.095 53.050 -0.017 0.000 0.917 320 N CB 1.818 40.292 38.487 -0.022 0.000 1.219 320 N HN 0.879 9.259 8.380 -0.000 0.000 0.525 321 A N -0.028 122.786 122.820 -0.010 0.000 2.462 321 A HA 0.506 4.822 4.320 -0.005 0.000 0.243 321 A C 0.445 178.021 177.584 -0.014 0.000 1.076 321 A CA 0.405 52.434 52.037 -0.013 0.000 0.773 321 A CB 0.044 19.032 19.000 -0.019 0.000 1.010 321 A HN 0.531 8.681 8.150 -0.000 0.000 0.493 322 T N 0.051 114.598 114.554 -0.012 0.000 2.762 322 T HA 0.399 4.746 4.350 -0.005 0.000 0.301 322 T C -1.321 173.374 174.700 -0.008 0.000 1.299 322 T CA -0.543 61.550 62.100 -0.011 0.000 1.005 322 T CB 1.274 70.134 68.868 -0.013 0.000 1.377 322 T HN 0.782 9.022 8.240 -0.000 0.000 0.504 323 E N 2.225 122.422 120.200 -0.006 0.000 2.115 323 E HA 0.474 4.820 4.350 -0.005 0.000 0.282 323 E C -0.908 175.694 176.600 0.002 0.000 0.987 323 E CA -0.359 56.041 56.400 -0.001 0.000 0.797 323 E CB 0.704 30.403 29.700 -0.001 0.000 1.086 323 E HN 0.485 8.845 8.360 -0.000 0.000 0.397 324 M N 4.449 124.053 119.600 0.006 0.000 2.294 324 M HA 0.389 4.866 4.480 -0.005 0.000 0.335 324 M C -0.820 175.489 176.300 0.016 0.000 1.079 324 M CA -0.833 54.472 55.300 0.009 0.000 0.982 324 M CB 1.224 33.829 32.600 0.009 0.000 1.651 324 M HN 0.322 8.612 8.290 -0.000 0.000 0.437 325 R N 3.805 124.315 120.500 0.017 0.000 2.295 325 R HA 0.530 4.867 4.340 -0.005 0.000 0.324 325 R C -1.392 174.923 176.300 0.026 0.000 0.968 325 R CA -0.819 55.296 56.100 0.025 0.000 0.837 325 R CB 1.155 31.469 30.300 0.024 0.000 1.133 325 R HN 0.496 8.766 8.270 -0.000 0.000 0.450 326 L N 2.405 123.649 121.223 0.035 0.000 2.309 326 L HA 0.297 4.634 4.340 -0.005 0.000 0.282 326 L C 0.706 177.598 176.870 0.037 0.000 1.036 326 L CA -0.420 54.438 54.840 0.031 0.000 0.806 326 L CB 1.419 43.497 42.059 0.031 0.000 1.220 326 L HN 0.499 8.729 8.230 -0.000 0.000 0.429 327 Q N 1.686 121.501 119.800 0.025 0.000 2.315 327 Q HA 0.168 4.505 4.340 -0.005 0.000 0.289 327 Q C -0.472 175.543 176.000 0.026 0.000 1.044 327 Q CA 0.043 55.859 55.803 0.022 0.000 0.920 327 Q CB 0.697 29.441 28.738 0.010 0.000 1.214 327 Q HN 0.779 9.049 8.270 -0.000 0.000 0.392 328 T N 1.480 116.050 114.554 0.026 0.000 2.948 328 T HA 0.652 4.999 4.350 -0.005 0.000 0.285 328 T C -0.487 174.206 174.700 -0.011 0.000 1.019 328 T CA -1.075 61.032 62.100 0.012 0.000 1.013 328 T CB 1.532 70.408 68.868 0.012 0.000 1.117 328 T HN 0.821 9.061 8.240 -0.000 0.000 0.533 329 R N 0.870 121.352 120.500 -0.030 0.000 2.621 329 R HA 0.518 4.855 4.340 -0.005 0.000 0.284 329 R C -1.758 174.526 176.300 -0.025 0.000 0.998 329 R CA -0.956 55.130 56.100 -0.023 0.000 0.895 329 R CB 1.360 31.636 30.300 -0.041 0.000 1.195 329 R HN 0.716 8.986 8.270 -0.000 0.000 0.450 330 F N 4.512 124.354 119.950 -0.181 0.000 2.445 330 F HA 0.342 4.865 4.527 -0.005 0.000 0.359 330 F C -0.805 174.842 175.800 -0.256 0.000 1.101 330 F CA -0.551 57.308 58.000 -0.235 0.000 1.177 330 F CB 1.104 39.983 39.000 -0.202 0.000 1.110 330 F HN 0.212 8.512 8.300 -0.000 0.000 0.522 331 V N 5.897 125.344 119.914 -0.779 0.000 2.384 331 V HA 0.156 4.273 4.120 -0.005 0.000 0.287 331 V C 0.622 176.007 176.094 -1.182 0.000 1.020 331 V CA -0.045 61.760 62.300 -0.826 0.000 0.850 331 V CB 1.241 32.652 31.823 -0.687 0.000 0.987 331 V HN 0.920 9.110 8.190 -0.000 0.000 0.436 332 T N 0.247 114.241 114.554 -0.932 0.000 3.015 332 T HA 0.258 4.605 4.350 -0.005 0.000 0.250 332 T C 0.463 174.933 174.700 -0.384 0.000 1.057 332 T CA 0.424 62.079 62.100 -0.742 0.000 1.066 332 T CB -0.075 68.500 68.868 -0.488 0.000 0.959 332 T HN 0.831 9.071 8.240 -0.000 0.000 0.488 333 H N 0.000 118.936 119.070 -0.224 0.000 2.539 333 H HA 0.000 4.553 4.556 -0.005 0.000 0.296 333 H CA 0.000 55.964 56.048 -0.141 0.000 1.023 333 H CB 0.000 29.679 29.762 -0.138 0.000 1.292 333 H HN 0.000 8.280 8.280 -0.000 0.000 0.496