NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7903 8.4293 117.8347 55.8331 30.1821 172.4372 4 V 4.2466 8.0448 121.4431 59.6757 34.4184 172.5953 5 A 4.6135 8.2277 126.3641 50.2297 21.1298 177.6051 6 F 2.9757 8.6015 123.3133 59.8005 39.5366 175.6911 7 G 3.4983 7.5151 114.8920 45.2526 0.0000 173.5970 8 S 4.0982 7.5181 118.8201 58.8870 63.3192 176.2353 9 E 4.0546 8.7519 120.0478 58.1177 29.8852 176.6687 10 D 5.1222 7.7183 117.0890 52.7988 40.2282 177.8269 11 I 3.4756 7.5868 122.5356 65.3111 37.7510 176.8782 12 E 4.0295 8.0966 117.6882 59.0750 29.2477 178.6542 13 N 4.3165 7.9737 117.5886 56.9062 39.2672 176.7092 14 T 4.0044 7.7577 116.5943 66.7853 68.6596 176.5539 15 L 4.0417 8.0615 120.2640 57.1937 41.3225 179.1861 16 A 4.2850 7.8373 119.8894 54.7338 18.3568 178.8070 17 K 4.2543 7.7325 114.2662 56.3377 32.9047 176.5792 18 M 4.6552 7.4203 120.0143 53.9648 33.6545 176.4408 19 D 4.8351 8.1894 122.5695 52.1915 43.2381 176.6864 20 D 4.4943 8.6633 118.1762 57.8754 40.5323 179.0905 21 G 3.6678 8.1078 103.9834 47.9776 0.0000 175.2015 22 Q 4.1373 8.3497 120.6174 58.7071 28.7126 178.9093 23 L 3.9925 8.1564 120.0907 57.9105 41.4396 179.3423 24 D 4.5461 8.5407 118.3709 56.6440 40.8039 178.0754 25 G 3.8053 7.5168 103.6565 44.1538 0.0000 174.1087 26 L 3.8405 6.9115 121.2406 54.5275 42.0572 178.0316 27 A 4.0713 8.0965 123.4805 53.6592 18.8031 177.3209 28 F 5.1305 6.3402 110.2438 54.2865 41.3887 175.4505 29 G 4.1578 9.4236 107.3297 46.1019 0.0000 172.6131 30 A 5.5196 9.5183 124.9787 50.3718 22.6183 174.9821 31 I 4.9768 9.2392 123.8101 59.5091 40.9313 174.4006 32 Q 4.8096 8.8496 127.5221 54.2060 31.2611 174.1763 33 L 5.3539 9.1857 126.8952 52.8919 45.4617 176.4047 34 D 5.0211 8.8544 122.0991 52.2191 40.8863 177.5167 35 G 3.6348 8.8757 107.3227 48.3645 0.0000 174.0792 36 D 4.6910 8.5108 117.5365 54.3465 41.3981 177.1824 37 G 4.0050 8.8603 108.6506 45.4794 0.0000 173.2379 38 N 4.8649 8.5269 117.9479 52.8829 39.2516 174.2794 39 I 4.3462 8.6123 124.1170 61.3637 37.6373 176.4798 40 L 4.2684 9.1521 128.0505 56.5005 42.7626 177.3136 41 Q 4.7127 7.7044 115.3124 54.7171 33.7295 174.0371 42 Y 4.9871 8.4554 122.3982 57.0310 41.6520 173.9360 43 N 5.0256 8.8222 125.0471 51.7025 39.7576 176.2728 44 A 4.0568 9.0486 120.7170 55.2808 18.0953 179.7957 45 A 3.9692 7.9124 117.9105 55.1696 18.6958 179.0516 46 E 4.1235 8.3736 117.5172 59.4696 29.7341 179.1040 47 G 3.9352 8.0957 105.2225 48.0534 0.0000 175.3019 48 D 4.4238 8.0705 120.0924 56.9332 40.8085 178.4588 49 I 4.0802 7.7759 120.2580 63.5732 37.4673 177.3604 50 T 4.6116 8.0385 107.1837 60.6556 70.0220 175.4146 51 G 3.9563 8.3457 109.4769 45.7287 0.0000 173.9057 52 R 4.0725 7.6957 118.3770 55.4207 30.9806 175.8795 53 D 4.5611 8.4313 121.4634 52.9469 41.6433 175.2660 54 P 4.2875 0.0000 0.0000 65.2996 31.6415 178.8975 55 K 3.9788 8.3396 116.6432 58.4679 32.1444 177.5414 56 Q 4.5038 7.6619 115.7123 56.2940 30.8486 177.1959 57 V 3.6485 7.4104 110.1595 62.7513 31.9218 176.1017 58 I 3.8988 6.6865 119.6656 62.9006 37.1109 176.2444 59 G 3.9927 9.0292 114.7879 44.9648 0.0000 173.8317 60 K 4.2963 7.8474 119.0935 55.9990 33.9188 175.5390 61 N 4.9395 8.4129 120.7859 52.7303 40.2204 175.4037 62 F 3.7948 9.1001 129.2841 61.4408 39.7276 177.2899 63 F 3.8226 7.8238 115.3675 59.3983 39.3287 176.9953 64 K 4.0088 8.2684 121.1251 58.6960 32.3173 176.8840 65 D 4.6600 7.6467 115.8335 55.6389 42.6904 177.9635 66 V 3.6581 7.5326 116.8231 64.9240 32.2249 175.9533 67 A 4.2509 7.2409 121.9583 48.9415 18.4381 174.3781 68 P 4.1133 0.0000 0.0000 64.8062 31.8772 179.5224 69 C 4.2427 7.7077 112.7796 60.4464 29.8991 174.2231 70 T 4.2495 7.7824 109.6251 61.4775 68.7948 174.2537 71 D 5.2263 7.7717 123.1989 53.2678 39.5727 174.8318 72 S 4.7564 8.0250 117.2193 56.1019 65.4791 174.7612 73 P 4.2579 0.0000 0.0000 65.7571 31.2034 178.7185 74 E 4.0120 8.2452 116.1552 58.0737 29.2645 175.7925 75 F 4.4236 7.3161 117.6204 58.5161 42.2944 175.6944 76 Y 4.1034 8.9871 120.4322 60.8008 38.8655 179.0941 77 G 3.5939 8.3930 108.1753 47.2451 0.0000 175.8283 78 K 4.1783 7.9797 120.5640 58.7956 31.9898 179.0509 79 F 4.1791 8.5599 121.3791 61.3122 39.4475 177.4034 80 K 3.6369 8.3356 118.6179 59.7901 32.2893 178.8220 81 E 3.9518 8.1743 119.9270 59.2570 29.5132 179.6108 82 G 3.6000 7.9852 105.6579 46.4224 0.0000 176.0496 83 V 3.1515 7.3354 119.8972 65.4992 31.4828 177.7889 84 A 4.0439 7.5740 119.4177 55.2465 18.4519 179.3962 85 S 4.2668 7.9984 112.7626 59.2806 63.2958 176.2556 86 G 4.0582 8.2689 108.6595 45.1170 0.0000 172.9501 87 N 4.8772 7.7012 115.2719 52.2534 41.0791 173.0352 88 L 4.0453 7.9028 120.0036 56.8289 43.0174 175.3199 89 N 4.6645 8.2517 120.0074 53.7047 41.6623 173.0725 90 T 4.8645 8.9228 120.5400 60.7151 71.5442 171.8845 91 M 5.4253 8.1237 126.3225 53.9997 35.5541 174.0390 92 F 4.8276 8.4939 118.5246 56.6292 41.7774 172.4978 93 E 4.9874 9.0320 118.8135 56.0129 30.7606 174.8274 94 Y 4.8394 8.6779 121.6351 57.2472 43.2358 173.0974 95 T 5.0144 7.9378 118.8620 61.7637 71.4037 173.5284 96 F 5.4192 9.2126 126.0874 56.0370 40.6723 176.4189 97 D 4.8560 8.9279 120.3349 53.2217 40.8750 173.9703 98 Y 4.4702 8.1426 121.0589 57.0604 39.8914 175.5797 99 Q 3.2579 8.1743 128.5724 55.9180 26.0066 173.0952 100 M 4.5829 7.3354 111.0143 54.2063 34.0431 175.1794 101 T 3.8537 8.6082 116.9615 63.6686 69.0625 172.2516 102 P 4.5932 0.0000 0.0000 63.8235 32.0987 175.7683 103 T 4.6446 8.9825 120.5121 61.5344 72.3385 173.4851 104 K 4.5670 8.6811 126.3935 56.4612 33.6320 176.5911 105 V 4.8511 8.8779 117.0179 59.6041 36.9123 173.8648 106 K 4.8879 8.7786 122.9881 54.6605 34.8240 174.7997 107 V 4.9403 8.6271 126.5635 61.3039 34.6650 173.7939 108 H 5.1931 9.4856 126.9463 54.9906 32.6081 171.3688 109 M 5.0489 9.0876 126.6428 53.5929 34.5313 175.6479 110 K 5.3452 8.9523 124.2166 55.0475 36.1909 174.9116 111 K 4.3645 9.0907 129.0801 56.8904 32.8867 175.7762 112 A 4.4479 8.3249 129.8517 51.3984 18.8435 177.7052 113 L 4.0602 8.9060 125.8735 55.5113 40.5506 178.1563 114 S 3.8470 9.1842 117.7023 59.7604 62.1226 171.8595 115 G 3.2755 7.1573 110.3519 45.1571 0.0000 176.0851 116 D 4.6253 8.0452 116.2234 53.2046 39.4437 174.3860 117 S 4.8597 7.4393 114.2040 57.7546 66.1372 172.3387 118 Y 4.9396 8.5414 117.7017 56.2084 42.8125 174.3570 119 W 4.8147 9.1626 122.3994 56.2366 31.0178 175.6331 120 V 4.5265 9.1594 124.5211 61.1407 33.7724 174.0843 121 F 5.8450 9.1685 126.8801 55.9593 42.0633 174.9115 122 V 5.2947 9.3956 121.8108 61.3229 35.1438 174.1337 123 K 4.9256 8.7177 125.2686 54.8929 36.3012 175.8509 124 R 4.4597 8.5314 120.2694 56.4592 31.0229 177.1288 125 V 4.0230 7.9909 114.5135 61.5522 31.9466 175.6023 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 H 8.43 4.79 0.00 3.17 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.04 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 5 A 8.23 4.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.60 2.98 0.00 2.63 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.52 4.10 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.75 4.05 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 10 D 7.72 5.12 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.59 3.48 1.65 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.91 0.78 0.00 0.00 12 E 8.10 4.03 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 13 N 7.97 4.32 0.00 2.76 3.09 0.00 0.00 7.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.76 4.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 15 L 8.06 4.04 0.00 1.44 1.30 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.84 4.28 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.73 4.25 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 18 M 7.42 4.66 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 19 D 8.19 4.84 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.66 4.49 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.35 4.14 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 23 L 8.16 3.99 0.00 1.89 1.79 1.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.54 4.55 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.52 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 6.91 3.84 0.00 1.26 0.44 0.60 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.10 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 6.34 5.13 0.00 3.44 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.42 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.52 5.52 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.24 4.98 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.85 0.80 0.00 0.00 32 Q 8.85 4.81 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 33 L 9.19 5.35 0.00 1.74 1.58 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.85 5.02 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.88 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.51 4.69 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.86 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.53 4.86 0.00 3.09 2.76 0.00 0.00 7.03 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.61 4.35 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 1.02 0.00 0.00 40 L 9.15 4.27 0.00 1.44 1.63 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.70 4.71 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 42 Y 8.46 4.99 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.82 5.03 0.00 3.04 2.99 0.00 0.00 6.43 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.05 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.91 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.37 4.12 0.00 1.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.19 0.00 47 G 8.10 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.07 4.42 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.78 4.08 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 1.08 0.00 0.00 50 T 8.04 4.61 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 51 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.70 4.07 0.00 1.95 1.65 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 53 D 8.43 4.56 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.29 0.00 2.32 2.61 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 55 K 8.34 3.98 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 56 Q 7.66 4.50 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 57 V 7.41 3.65 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.02 0.00 0.00 58 I 6.69 3.90 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.91 0.00 0.00 59 G 9.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.85 4.30 0.00 1.79 1.66 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.41 7.81 61 N 8.41 4.94 0.00 2.75 2.61 0.00 0.00 6.56 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.10 3.79 0.00 2.76 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.82 3.82 0.00 2.45 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.27 4.01 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.35 7.81 65 D 7.65 4.66 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.53 3.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.82 0.00 0.00 67 A 7.24 4.25 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.11 0.00 1.81 1.89 0.00 3.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.00 69 C 7.71 4.24 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.78 4.25 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 71 D 7.77 5.23 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.02 4.76 0.00 4.30 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.26 0.00 2.21 2.13 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 8.25 4.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 75 F 7.32 4.42 0.00 2.73 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.99 4.10 0.00 2.88 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.39 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.98 4.18 0.00 1.88 1.85 0.00 1.22 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.51 7.81 79 F 8.56 4.18 0.00 3.43 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.34 3.64 0.00 1.87 1.87 0.00 1.10 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.01 1.57 7.81 81 E 8.17 3.95 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 82 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.34 3.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.71 0.00 0.00 84 A 7.57 4.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.00 4.27 0.00 4.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.27 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.70 4.88 0.00 2.73 2.75 0.00 0.00 6.78 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.90 4.05 0.00 1.97 1.73 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.25 4.66 0.00 2.94 2.72 0.00 0.00 6.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.92 4.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 91 M 8.12 5.43 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 92 F 8.49 4.83 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.03 4.99 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 94 Y 8.68 4.84 0.00 3.33 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.94 5.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 96 F 9.21 5.42 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.93 4.86 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.14 4.47 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.17 3.26 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 100 M 7.34 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 101 T 8.61 3.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 P 0.00 4.59 0.00 1.96 2.06 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 8.98 4.64 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 104 K 8.68 4.57 0.00 1.69 1.69 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.46 7.81 105 V 8.88 4.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.17 0.00 0.00 106 K 8.78 4.89 0.00 1.65 1.33 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.34 7.81 107 V 8.63 4.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.82 0.00 0.00 108 H 9.49 5.19 0.00 2.82 2.82 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.09 5.05 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 110 K 8.95 5.35 0.00 1.77 1.79 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 111 K 9.09 4.36 0.00 1.98 1.80 0.00 2.02 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.33 7.81 112 A 8.32 4.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.91 4.06 0.00 1.71 1.71 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 114 S 9.18 3.85 0.00 3.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.16 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.05 4.63 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.44 4.86 0.00 3.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.54 4.94 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 W 9.16 4.81 0.00 2.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.16 4.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 121 F 9.17 5.84 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.40 5.29 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.30 0.00 0.00 123 K 8.72 4.93 0.00 1.60 1.48 0.00 1.01 0.00 0.00 0.86 0.00 0.00 2.16 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.89 7.81 124 R 8.53 4.46 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.99 4.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.89 0.00 0.00