NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4782 8.3049 120.3305 55.5334 32.9528 174.4116 2 M 4.4645 8.5416 123.7226 52.9728 34.3926 170.3636 3 V 4.4029 8.2821 121.7785 60.6965 34.4377 174.1018 4 W 4.5882 8.9581 135.0000 57.4638 31.1460 175.4385 5 T 4.0572 8.1735 123.5774 61.3011 67.2928 172.4677 6 P 4.5370 0.0000 0.0000 63.2481 32.2279 175.6453 7 V 4.0313 7.4138 119.5988 62.7848 32.8098 175.4070 8 N 4.1981 8.6614 125.3267 54.8616 35.9890 173.3626 9 N 5.0678 7.5270 108.3668 53.0371 40.1935 174.1957 10 K 4.1939 8.3103 115.8114 56.4251 32.7836 176.3579 11 M 5.0851 8.3391 120.0750 53.9265 35.7568 175.2708 12 F 4.6693 8.3945 116.5252 57.2861 41.0314 176.3279 13 E 3.4838 8.2920 123.0768 57.2782 27.9851 175.8049 14 T 3.8441 8.3459 122.7639 66.2659 68.8568 174.3852 15 F 4.5028 8.9689 123.9858 57.7042 36.8329 176.3446 16 S 4.4979 8.1871 114.5570 60.1652 62.9838 174.4055 17 Y 4.4105 8.2607 117.5840 58.1794 38.1890 175.0524 18 L 4.7099 7.6419 120.3598 52.0932 43.7250 174.4778 19 P 4.4451 0.0000 0.0000 61.9002 31.7672 175.0341 20 P 4.2897 0.0000 0.0000 62.7478 31.7715 176.4553 21 L 3.9608 8.3207 122.7127 54.8065 42.1213 177.9943 22 T 4.2181 8.1978 114.0588 61.2291 71.1211 175.2811 23 D 4.3257 8.5279 120.9826 57.5453 40.7613 178.7554 24 E 3.9533 8.0730 119.4105 59.2050 29.8084 178.7549 25 Q 3.9065 7.9666 118.3144 58.7087 28.6615 178.5732 26 I 3.6767 8.0293 120.9144 64.4037 37.1442 178.0730 27 A 4.0077 8.1499 121.3558 55.4296 18.1414 179.5656 28 A 3.9523 8.0590 118.9979 55.4189 18.4169 179.9452 29 Q 4.0844 7.9988 116.4250 59.0355 28.7943 179.0470 30 V 3.7351 8.3252 119.6786 66.1791 31.5980 177.7323 31 D 4.4244 8.4745 118.8630 57.5877 40.5198 178.1961 32 Y 4.1740 8.1687 119.9387 60.6889 38.9254 178.1238 33 I 3.9145 7.9814 120.7486 64.5898 37.3125 178.6483 34 V 3.5425 7.8768 118.6842 65.9405 31.1783 177.9184 35 A 3.9360 8.1869 119.7160 54.5564 18.2461 178.3444 36 N 4.0833 7.0682 112.5864 52.1708 38.7021 175.8113 37 G 3.7856 7.3288 108.2550 45.9946 0.0000 174.0630 38 W 4.9359 7.4187 118.6545 56.2225 30.5531 176.2193 39 I 4.3992 8.9465 123.1129 59.4000 37.9121 174.0114 40 P 4.8696 0.0000 0.0000 62.9251 32.7137 175.2446 41 C 4.9902 8.9513 122.0008 58.3238 35.6131 172.4382 42 L 5.3061 8.7460 124.3035 53.3196 44.1489 175.1941 43 E 5.6233 9.1769 121.0386 54.9683 34.1264 174.5814 44 F 5.6185 9.0253 115.6768 56.0781 42.0424 172.9420 45 A 4.5128 8.2935 120.0926 50.3081 22.6099 176.2844 46 E 4.2932 8.6210 118.7738 55.6546 30.6274 177.6563 47 A 4.2795 8.8225 122.8585 55.8511 18.4248 179.8218 48 D 4.5045 8.1492 113.4474 56.4094 41.0792 177.2001 49 K 4.6134 7.9686 117.2007 56.0509 32.5196 176.8864 50 A 3.9079 7.6381 124.3250 53.9451 18.8413 178.2981 51 Y 4.6707 7.4492 111.4178 55.5650 40.1767 175.7236 52 V 3.8110 8.3609 122.3250 63.9342 32.0357 175.2571 53 S 4.7466 8.7255 119.1003 57.6345 66.1771 173.6681 54 N 5.1307 8.5891 114.5070 52.7133 39.7635 176.2653 55 E 3.9113 8.3380 117.8461 59.6191 29.7443 179.3152 56 S 4.1429 8.6799 114.8494 60.3646 62.8155 175.8866 57 A 2.5800 7.7671 123.6070 53.4982 17.7665 179.0702 58 I 3.5843 6.8348 115.3768 63.6519 38.0437 177.1210 59 R 4.2690 7.3057 116.3005 55.6907 30.5247 176.2049 60 F 5.1110 7.1209 118.1410 55.8469 41.3681 177.6545 61 G 4.0173 8.2528 116.6441 46.2543 0.0000 175.6814 62 S 4.5937 8.4323 114.3255 58.3542 61.4078 174.5097 63 V 4.4552 7.2470 108.8924 61.0739 33.4784 178.2701 64 S 4.3049 8.2006 115.3783 59.7889 63.3542 173.4083 65 C 3.9894 7.2767 120.0440 61.4699 27.9432 173.2963 66 L 3.5898 8.4150 123.5985 55.6278 38.9691 173.2875 67 Y 4.3742 7.6742 119.4788 55.9722 39.8882 174.5564 68 Y 4.8623 7.2609 123.4732 56.1931 42.3400 174.8689 69 D 4.4689 8.7497 123.4443 55.4378 41.6407 176.8669 70 N 4.6212 8.8902 116.4209 54.2098 35.9779 176.0900 71 R 3.9447 7.9822 118.5704 59.3438 30.3709 177.1609 72 Y 4.3176 7.6367 114.5266 58.0102 38.3268 175.4063 73 W 5.0544 8.6489 124.2648 55.4375 32.6253 174.5880 74 T 4.2919 8.1577 117.2632 62.6642 69.3743 174.6726 75 M 4.5937 8.5490 126.6825 55.3602 33.2292 175.1994 76 W 4.8813 9.5252 135.0000 55.8913 31.2874 176.9558 77 K 3.3806 8.4561 129.0697 57.6518 30.7169 177.6751 78 L 4.9223 8.2120 125.2469 52.6445 44.9452 174.0432 79 P 4.3397 0.0000 0.0000 63.4564 32.0765 177.5906 80 M 4.3004 8.6307 123.3912 53.6956 30.4241 175.3076 81 F 4.4699 7.5211 119.2787 58.6359 39.9887 176.4018 82 G 3.9799 9.1231 112.2333 45.6494 0.0000 173.1627 83 C 4.2813 7.8529 120.4748 59.7103 31.7805 173.2646 84 R 4.5879 8.6046 124.4007 55.5674 31.4991 174.4781 85 D 4.7408 7.9021 117.7842 51.2532 42.9844 174.1847 86 P 4.3339 0.0000 0.0000 65.9982 31.2364 178.4257 87 M 4.0918 8.1646 117.0574 58.4361 31.8687 178.4921 88 Q 3.9967 8.0267 119.2739 59.1180 29.1973 178.6735 89 V 3.6104 7.6412 118.7698 66.0001 31.7580 177.7539 90 L 4.0169 8.0310 118.7389 57.9966 41.3744 179.7825 91 R 3.9566 8.4297 118.3103 59.3695 29.9261 179.0263 92 E 4.0988 8.2821 118.3094 59.1884 29.3773 179.3325 93 I 3.5106 7.8378 120.0480 64.3034 37.1784 178.4815 94 V 3.4590 7.6498 118.6083 66.0191 31.3996 177.9404 95 A 3.9447 8.1083 120.5984 55.0982 18.2241 179.2342 96 C 2.0000 7.6886 117.6971 62.0902 31.2732 175.9848 97 T 3.7307 7.6067 111.3692 64.4175 67.9291 176.3593 98 K 3.8199 7.5936 121.7503 59.3103 32.3277 178.4809 99 A 3.9806 7.5315 119.8282 53.5107 19.7009 177.6281 100 F 4.7123 7.6953 115.6645 54.9974 39.1808 173.8996 101 P 4.4130 0.0000 0.0000 64.2889 31.8389 177.9189 102 D 4.6591 8.0628 116.4386 53.8683 41.2692 175.5121 103 A 4.7401 7.3122 121.3603 50.5006 21.1818 177.0836 104 Y 4.1882 8.5575 117.8375 57.8877 39.3068 175.3051 105 V 5.2385 8.7651 123.4152 61.1028 35.1776 174.3381 106 R 5.0102 9.3788 123.5023 54.2951 33.1584 173.6631 107 L 4.8543 8.1259 123.4377 53.8389 43.9271 175.6531 108 V 4.7526 8.6522 118.2403 59.5043 36.4538 174.1234 109 A 4.8998 8.0531 121.4798 50.4713 22.8654 175.1864 110 F 5.2621 8.9806 119.3134 55.7121 42.7340 174.1076 111 D 5.4024 8.8321 122.4788 52.7342 42.4552 176.5329 112 N 4.7560 9.1487 122.9654 54.0899 38.4387 176.3935 113 Q 4.1717 8.6834 118.7878 58.9938 28.9581 177.5894 114 K 4.0272 8.2657 114.5051 56.8792 33.0532 176.4525 115 Q 3.4359 7.9670 118.9263 56.0112 27.1154 172.8057 116 V 4.5275 7.7308 117.0764 60.0486 35.0781 174.3008 117 Q 4.3824 8.7147 123.2939 56.5319 29.3444 175.5349 118 I 4.1707 8.1538 123.9670 61.0422 39.7967 174.3708 119 M 4.6362 6.8664 119.5936 54.9843 35.7339 173.2532 120 G 4.7172 8.3658 107.1597 46.8607 0.0000 172.4988 121 F 5.0657 7.1752 116.7419 55.2576 41.2268 172.8465 122 L 4.5445 8.7973 122.8907 55.5559 42.0143 176.7850 123 V 4.5253 8.9145 118.3220 61.3987 34.0338 175.5880 124 Q 4.6133 7.7861 121.1498 54.4165 32.4566 173.2159 125 R 4.4016 8.0706 121.2921 52.8918 32.7794 173.4700 126 P 4.1676 0.0000 0.0000 62.8231 31.6747 177.6638 127 K 4.0631 8.5145 120.3547 59.2781 32.1278 178.0449 128 S 4.3846 7.9616 110.7788 58.5023 63.5316 174.0428 129 A 4.2644 7.8952 125.8450 52.7130 18.3710 177.3091 130 R 4.5603 8.8748 121.6032 56.0733 31.1236 175.0471 131 D 4.9691 8.4535 114.9939 52.7650 39.7490 175.4759 132 W 5.5048 7.6997 114.9466 55.2171 31.3133 174.0680 133 Q 4.3335 8.4373 118.1330 52.9516 30.7610 174.1807 134 P 4.5105 0.0000 0.0000 62.4262 31.9204 176.9099 135 A 3.9745 9.0010 123.7231 55.7117 18.1441 179.2386 136 N 4.6223 8.0773 109.1505 53.9188 37.8049 175.4880 137 K 4.4445 7.8809 117.7711 56.3654 32.9196 177.3180 138 R 3.6031 7.5432 120.6008 57.6550 30.1675 176.6258 139 S 5.1031 7.4918 110.2936 56.3053 66.0064 174.2599 140 V 3.9863 8.4372 114.3059 61.7437 32.1752 175.6435 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 1 M 8.30 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.54 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.28 4.40 2.11 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 1.10 0.00 0.00 0.96 0.00 0.00 4 W 8.96 4.59 0.00 3.47 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.17 4.06 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 1.05 0.00 0.00 6 P 0.00 4.54 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 7 V 7.41 4.03 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 0.76 0.00 0.00 0.90 0.00 0.00 8 N 8.66 4.20 0.00 2.89 2.88 0.00 0.00 6.80 8.00 0.00 0.00 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 N 7.53 5.07 0.00 2.65 2.68 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.31 4.19 0.00 1.95 1.49 0.00 0.63 0.00 0.00 1.09 0.00 0.00 2.62 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.48 7.81 11 M 8.34 5.09 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 12 F 8.39 4.67 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.29 3.48 0.00 2.14 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 14 T 8.35 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 15 F 8.97 4.50 0.00 3.31 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 16 S 8.19 4.50 0.00 4.15 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 4.41 0.00 3.02 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 18 L 7.64 4.71 0.00 1.85 1.62 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 20 P 0.00 4.29 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 21 L 8.32 3.96 0.00 1.57 1.48 0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 D 8.53 4.33 0.00 2.70 2.76 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 24 E 8.07 3.95 0.00 2.01 1.91 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 2.35 2.38 0.00 25 Q 7.97 3.91 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 26 I 8.03 3.68 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 1.08 0.00 0.00 27 A 8.15 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.95 1.36 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 0.00 0.00 0.00 29 Q 8.00 4.08 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.85 0.00 30 V 8.33 3.74 2.30 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 1.09 0.00 0.00 1.13 0.00 0.00 31 D 8.47 4.42 0.00 2.96 2.76 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 32 Y 8.17 4.17 0.00 3.23 3.32 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 0.00 33 I 7.98 3.91 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.43 1.06 0.00 0.00 34 V 7.88 3.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 35 A 8.19 3.94 1.24 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 36 N 7.07 4.08 0.00 1.44 1.42 0.00 0.00 7.02 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 37 G 7.33 3.79 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 0.00 0.00 0.00 38 W 7.42 4.94 0.00 3.39 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 39 I 8.95 4.40 2.13 0.00 0.00 1.17 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 1.01 0.77 0.00 0.00 40 P 0.00 4.87 0.00 2.09 1.99 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.95 4.99 0.00 3.06 2.67 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 42 L 8.75 5.31 0.00 1.86 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.18 5.62 0.00 2.05 2.06 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 2.35 2.31 0.00 44 F 9.03 5.62 0.00 3.04 3.01 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 45 A 8.29 4.51 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.29 0.00 2.18 2.11 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 2.30 2.29 0.00 47 A 8.82 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.15 4.50 0.00 2.71 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 K 7.97 4.61 0.00 1.51 1.71 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.64 3.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.45 4.67 0.00 2.93 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 52 V 8.36 3.81 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 0.62 0.00 0.00 0.81 0.00 0.00 53 S 8.73 4.75 0.00 4.07 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 54 N 8.59 5.13 0.00 2.77 2.85 0.00 0.00 6.57 7.66 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 55 E 8.34 3.91 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 56 S 8.68 4.14 0.00 4.08 3.74 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 57 A 7.77 2.58 1.11 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 0.00 0.00 58 I 6.83 3.58 1.78 0.00 0.00 0.83 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 0.81 0.90 0.00 0.00 59 R 7.31 4.27 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 60 F 7.12 5.11 0.00 3.01 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 61 G 8.25 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.43 4.59 0.00 3.86 3.85 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 63 V 7.25 4.46 1.85 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 0.79 0.00 0.00 0.47 0.00 0.00 64 S 8.20 4.30 0.00 4.10 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 0.00 65 C 7.28 3.99 0.00 3.16 2.96 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 66 L 8.42 3.59 0.00 1.78 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.67 4.37 0.00 2.96 3.06 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 68 Y 7.26 4.86 0.00 2.81 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 0.00 69 D 8.75 4.47 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 70 N 8.89 4.62 0.00 3.05 3.25 0.00 0.00 6.98 7.66 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 71 R 7.98 3.94 0.00 1.53 1.67 0.00 3.09 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.64 4.32 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.65 5.05 0.00 3.08 3.16 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 74 T 8.16 4.29 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 75 M 8.55 4.59 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.53 4.88 0.00 3.71 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 3.38 0.00 1.70 0.86 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.80 0.21 7.81 78 L 8.21 4.92 0.00 1.61 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.34 0.00 0.63 1.81 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 80 M 8.63 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.52 4.47 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.12 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.85 4.28 0.00 3.00 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 84 R 8.60 4.59 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 85 D 7.90 4.74 0.00 2.71 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 0.00 0.00 0.00 0.00 86 P 0.00 4.33 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.16 4.09 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.03 4.00 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.64 3.61 2.25 0.00 0.00 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 0.97 0.00 0.00 90 L 8.03 4.02 0.00 1.90 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.43 3.96 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 92 E 8.28 4.10 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 93 I 7.84 3.51 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.85 0.00 0.00 94 V 7.65 3.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 95 A 8.11 3.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.69 2.00 0.00 1.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 3.73 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 1.12 0.00 0.00 98 K 7.59 3.82 0.00 1.82 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.53 3.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.70 4.71 0.00 2.78 2.76 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 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.29 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.06 4.66 0.00 2.68 2.69 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 0.00 103 A 7.31 4.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.56 4.19 0.00 2.49 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.77 5.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.86 0.00 0.00 106 R 9.38 5.01 0.00 1.84 1.91 0.00 2.33 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 107 L 8.13 4.85 0.00 1.50 0.73 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.65 4.75 1.63 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 0.41 0.00 0.00 0.44 0.00 0.00 109 A 8.05 4.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.98 5.26 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 0.00 111 D 8.83 5.40 0.00 2.36 2.42 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 0.00 112 N 9.15 4.76 0.00 2.93 3.05 0.00 0.00 6.33 7.39 0.00 0.00 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 Q 8.68 4.17 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.27 4.03 0.00 1.75 1.86 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 115 Q 7.97 3.44 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 116 V 7.73 4.53 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 0.54 0.00 0.00 0.91 0.00 0.00 117 Q 8.71 4.38 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 118 I 8.15 4.17 1.24 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 -0.45 0.00 0.00 119 M 6.87 4.64 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 120 G 8.37 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.18 5.07 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.54 0.00 1.61 1.61 0.67 0.37 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 0.00 123 V 8.91 4.53 2.09 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 0.74 0.00 0.00 0.90 0.00 0.00 124 Q 7.79 4.61 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 125 R 8.07 4.40 0.00 1.14 1.44 0.00 2.21 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.25 0.00 126 P 0.00 4.17 0.00 2.11 2.18 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 127 K 8.51 4.06 0.00 2.01 1.93 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 128 S 7.96 4.38 0.00 4.01 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 0.00 129 A 7.90 4.26 1.59 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 0.00 130 R 8.87 4.56 0.00 1.79 1.90 0.00 3.21 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 131 D 8.45 4.97 0.00 2.98 2.98 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 0.00 0.00 0.00 132 W 7.70 5.50 0.00 3.67 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.44 4.33 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 134 P 0.00 4.51 0.00 2.17 2.11 0.00 3.41 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 135 A 9.00 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.08 4.62 0.00 2.83 2.94 0.00 0.00 5.83 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.88 4.44 0.00 1.83 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.23 7.81 138 R 7.54 3.60 0.00 1.47 0.66 0.00 3.02 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.67 0.00 139 S 7.49 5.10 0.00 4.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.44 3.99 2.05 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 0.60 0.00 0.00 0.95 0.00 0.00