NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1595 8.0093 114.2703 60.6714 38.9289 173.7840 4 K 4.5189 8.2491 118.1501 54.7245 35.2882 171.9804 5 E 4.5847 9.1433 120.3584 54.7842 32.0066 177.3936 6 L 4.4631 8.2597 122.1355 54.8409 42.7236 176.7340 7 H 4.3572 9.0010 121.3326 56.1766 29.8142 174.3767 8 V 4.6937 8.4747 123.2979 61.2751 33.1638 174.8917 9 K 4.5559 9.7427 128.0175 54.9645 35.4112 175.2458 10 T 4.8357 8.5621 122.6352 62.3019 69.3769 174.7463 11 V 4.3946 8.5016 125.9953 59.5900 35.0076 175.4332 12 K 4.5021 8.5470 121.1819 55.2449 33.2764 176.7551 13 R 4.4726 8.5979 120.6583 58.2372 30.3941 177.6375 14 G 3.9579 9.8224 111.2714 45.4990 0.0000 173.2985 15 E 4.3082 8.0504 119.5665 56.0413 31.3338 175.0253 16 N 5.4121 8.4703 118.1164 51.7878 40.6842 175.2541 17 V 4.4623 8.7651 122.0221 60.1571 35.1698 174.3596 18 T 4.9001 8.4116 118.9275 62.0187 71.5047 172.9865 19 M 4.6310 9.3168 126.8191 53.5492 34.4149 175.0122 20 E 5.1474 8.9872 123.3919 56.0925 31.2144 176.4607 21 C 5.0613 9.9573 122.9729 55.3058 47.5749 172.5111 22 S 5.3222 8.6997 119.9531 57.2180 63.6255 174.0358 23 M 4.1875 9.3428 125.3859 57.6679 31.8607 178.5115 24 S 3.9258 7.7644 114.1183 62.0645 63.1978 175.5603 25 K 4.1238 7.7338 120.4785 56.9379 32.6232 177.4443 26 V 3.6957 7.2686 118.1858 64.5646 31.8619 175.7761 27 T 3.9514 9.1604 124.8319 65.9472 68.7215 175.1069 28 N 4.6006 8.8858 124.3994 52.0003 40.4489 174.7505 29 K 3.5390 8.4556 126.0440 59.4316 32.1891 179.0043 30 N 4.3847 7.5597 114.4841 56.1471 38.8177 175.6189 31 N 4.6767 8.3734 114.3988 53.0047 39.1388 173.7783 32 L 4.9130 7.7864 122.0819 54.1291 43.7761 175.2047 33 A 5.4664 8.9331 125.4462 51.0435 23.2908 174.9940 34 W 5.4494 9.6502 120.7572 55.9534 31.4551 175.1098 35 Y 5.1991 10.0623 121.6094 56.3144 40.7137 174.5287 36 R 4.1311 9.2154 123.8720 54.2635 32.5809 174.2261 37 Q 4.5981 8.5595 128.7825 54.1115 31.2775 174.9420 38 S 4.2280 8.2118 122.8243 57.7966 64.5526 174.1126 39 F 4.5059 8.3118 121.6445 59.0927 38.9927 176.1562 40 G 3.9924 9.2508 113.4263 45.3337 0.0000 172.7286 41 K 4.6296 7.5223 117.9720 53.7874 34.9559 176.1426 42 V 3.8049 8.0338 120.1306 62.2286 32.0696 174.1427 43 P 4.7680 0.0000 0.0000 62.9390 32.2152 175.6626 44 Q 4.8599 9.1471 120.8158 53.8967 33.2617 174.1822 45 Y 3.6901 9.0163 123.6288 58.3941 39.0511 174.6068 46 F 4.8125 8.8986 128.1400 59.2909 42.2230 175.4127 47 V 4.5903 7.3500 116.3111 60.3876 34.2308 172.7067 48 R 5.4661 8.8668 120.7687 54.1096 32.7367 174.5469 49 Y 4.7297 8.6406 121.9989 58.9186 39.7056 175.3506 50 Y 4.7263 8.0383 127.0551 55.9882 42.5118 173.8218 51 S 4.0224 8.3871 122.2165 58.9695 62.4641 172.8842 52 S 4.4261 7.5865 120.9931 57.9790 64.9674 175.8602 53 N 4.4653 8.8249 117.3432 56.6369 38.3373 177.2331 54 S 4.1091 7.8436 112.9993 59.5596 63.3027 175.4825 55 G 4.0903 9.9433 108.3058 44.8836 0.0000 171.7578 56 Y 5.4021 6.6229 115.4798 55.5728 41.5943 174.2204 57 K 4.5405 9.0895 120.9207 54.6177 35.3225 175.6385 58 F 4.5353 9.0926 126.0497 56.9959 39.9270 175.2330 59 A 3.9977 8.6365 124.1918 52.2419 18.9401 178.3867 60 E 3.8635 9.3284 120.7822 59.9124 29.5378 179.1778 61 G 3.8406 8.1356 102.9017 45.6885 0.0000 172.5715 62 F 4.6896 7.9727 122.1402 55.9613 40.4327 174.6413 63 K 3.8803 7.9567 129.4900 54.6744 33.3442 175.4884 64 D 4.0910 7.0568 126.8612 53.2161 41.5643 175.5886 65 S 4.2547 8.3388 121.0031 59.9036 63.2227 175.6451 66 R 4.0938 8.4208 120.8314 58.2078 30.9705 176.0149 67 F 5.0352 8.3394 118.8645 56.2880 40.4295 175.5929 68 S 4.9041 8.8193 117.1554 57.8309 66.5503 172.3137 69 M 4.9310 7.8401 117.0159 54.2744 36.3896 175.4727 70 T 4.5126 8.8230 117.6587 62.0595 70.7768 173.4449 71 V 5.1856 8.4379 126.5357 61.2159 33.7276 174.0910 72 N 4.8156 8.8314 127.2067 52.4500 39.1785 174.0127 73 D 4.4909 8.9424 115.1674 57.2696 41.9379 177.8564 74 Q 4.4642 8.3814 117.1558 56.7089 30.8233 175.9794 75 K 4.9728 8.8617 117.8633 54.0072 35.1910 176.1541 76 F 5.4796 8.8001 123.9739 57.0147 38.3023 173.5866 77 D 5.2469 8.7095 121.2425 52.7335 43.5823 176.9309 78 L 4.3846 8.2238 125.4963 54.0597 43.5403 174.8984 79 N 5.2646 8.7280 123.2905 51.4051 42.0338 173.4830 80 I 4.3915 8.6088 123.2521 59.3232 40.6108 174.3724 81 I 4.4184 8.4309 128.3694 59.8015 38.4042 175.7640 82 G 3.5231 8.4794 116.4976 44.3856 0.0000 173.3779 83 A 4.2074 8.6652 122.6423 53.0109 19.6482 177.4531 84 R 4.8072 9.4661 120.4342 53.7822 33.5541 176.5860 85 E 2.0000 8.3317 121.2496 59.1097 29.4677 178.6962 86 D 4.5548 7.7454 115.8194 56.1379 41.0267 176.9482 87 D 4.7192 8.7238 119.8259 56.4591 41.1953 177.3568 88 G 4.1030 8.1733 108.0115 45.6767 0.0000 174.2564 89 G 2.3902 7.1530 108.2993 43.7627 0.0000 170.8179 90 E 5.0220 7.6588 119.4767 54.5623 32.5294 175.0241 91 Y 4.8543 8.9795 121.7796 56.0733 41.1745 174.6221 92 F 5.6075 9.4520 123.0066 55.8864 42.6317 173.1612 93 C 4.8867 9.1416 124.3291 54.9072 46.5752 172.7971 94 G 4.2370 9.1748 112.1936 45.1063 0.0000 170.8127 95 E 5.0896 8.5272 119.8409 53.9314 32.6702 174.7908 96 V 3.9019 8.1390 127.7201 63.5249 32.0712 176.5593 97 E 4.7405 9.3433 125.8206 55.7692 32.4062 174.3396 98 G 3.9280 8.3088 110.5235 46.5995 0.0000 172.1251 99 I 3.9817 7.6572 110.9760 61.6206 38.3357 174.9651 100 I 4.6915 7.2654 114.0693 59.2197 41.5095 173.5748 101 I 4.4775 8.0635 122.6474 59.5809 39.5277 174.6042 102 K 4.3855 8.2589 128.1755 54.6893 34.0869 175.2499 103 F 5.0080 8.6481 124.3893 56.8889 39.5978 175.7708 104 T 4.5921 9.0306 113.4795 62.7657 70.5856 174.2677 105 S 4.6712 7.5986 114.9120 57.6854 66.5714 173.3557 106 G 4.6911 8.1668 104.6652 46.2424 0.0000 172.4430 107 T 5.3060 9.2383 117.5899 61.5977 72.7964 173.1677 108 R 4.8803 9.5320 127.2342 55.0875 31.6084 174.5254 109 L 5.2325 9.2588 130.6116 53.5550 43.8533 175.1928 110 Q 5.2406 9.4699 123.9192 54.4496 32.8192 175.7126 111 F 4.7913 8.7483 116.4970 56.8451 39.6122 175.4964 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 I 8.01 4.16 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 0.90 0.00 0.00 4 K 8.25 4.52 0.00 1.92 1.79 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.49 7.81 5 E 9.14 4.58 0.00 1.98 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 0.00 2.26 2.32 0.00 6 L 8.26 4.46 0.00 1.60 1.71 1.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.00 4.36 0.00 3.16 3.26 0.00 5.59 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 8 V 8.47 4.69 2.12 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 0.84 0.00 0.00 0.99 0.00 0.00 9 K 9.74 4.56 0.00 1.57 1.58 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.39 7.81 10 T 8.56 4.84 4.19 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 1.20 0.00 0.00 11 V 8.50 4.39 1.80 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 0.83 0.00 0.00 12 K 8.55 4.50 0.00 1.96 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 13 R 8.60 4.47 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 14 G 9.82 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 15 E 8.05 4.31 0.00 1.90 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 0.00 2.32 2.53 0.00 16 N 8.47 5.41 0.00 2.51 2.64 0.00 0.00 6.66 7.68 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 17 V 8.77 4.46 1.93 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 0.57 0.00 0.00 0.77 0.00 0.00 18 T 8.41 4.90 4.17 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 1.22 0.00 0.00 19 M 9.32 4.63 0.00 1.68 1.30 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 20 E 8.99 5.15 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 21 C 9.96 5.06 0.00 3.02 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 5.32 0.00 3.98 3.78 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 23 M 9.34 4.19 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.77 0.00 24 S 7.76 3.93 0.00 3.85 3.91 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 25 K 7.73 4.12 0.00 1.70 1.79 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 26 V 7.27 3.70 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 0.66 0.00 0.00 0.88 0.00 0.00 27 T 9.16 3.95 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 28 N 8.89 4.60 0.00 2.53 2.56 0.00 0.00 7.26 6.77 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 29 K 8.46 3.54 0.00 1.25 0.74 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.18 1.23 7.81 30 N 7.56 4.38 0.00 2.78 2.94 0.00 0.00 7.11 8.09 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 31 N 8.37 4.68 0.00 2.79 2.85 0.00 0.00 6.44 6.28 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 32 L 7.79 4.91 0.00 1.53 1.18 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.93 5.47 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.65 5.45 0.00 3.46 3.41 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 35 Y 10.06 5.20 0.00 3.28 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 36 R 9.22 4.13 0.00 0.67 1.06 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 37 Q 8.56 4.60 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.45 0.00 38 S 8.21 4.23 0.00 3.70 3.66 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 39 F 8.31 4.51 0.00 3.03 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 40 G 9.25 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 41 K 7.52 4.63 0.00 1.79 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.45 7.81 42 V 8.03 3.80 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 0.85 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.77 0.00 2.16 2.19 0.00 3.74 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 2.10 2.26 0.00 44 Q 9.15 4.86 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 45 Y 9.02 3.69 0.00 2.77 2.93 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 0.00 0.00 0.00 0.00 46 F 8.90 4.81 0.00 2.84 3.10 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 47 V 7.35 4.59 0.68 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 0.55 0.00 0.00 -0.06 0.00 0.00 48 R 8.87 5.47 0.00 2.23 2.38 0.00 2.87 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 49 Y 8.64 4.73 0.00 2.80 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 50 Y 8.04 4.73 0.00 3.05 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 51 S 8.39 4.02 0.00 3.89 3.52 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 52 S 7.59 4.43 0.00 3.91 3.70 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 53 N 8.82 4.47 0.00 2.70 2.90 0.00 0.00 6.87 7.57 0.00 0.00 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 S 7.84 4.11 0.00 3.34 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.94 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 0.00 0.00 0.00 56 Y 6.62 5.40 0.00 2.90 2.92 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 0.00 0.00 0.00 0.00 57 K 9.09 4.54 0.00 1.67 1.59 0.00 1.25 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 58 F 9.09 4.54 0.00 3.03 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 59 A 8.64 4.00 0.80 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 0.00 0.00 60 E 9.33 3.86 0.00 2.03 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 2.36 2.41 0.00 61 G 8.14 3.84 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 0.00 0.00 0.00 62 F 7.97 4.69 0.00 2.87 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 63 K 7.96 3.88 0.00 1.54 1.47 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.17 7.81 64 D 7.06 4.09 0.00 1.97 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 0.00 0.00 0.00 65 S 8.34 4.25 0.00 3.98 3.91 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 66 R 8.42 4.09 0.00 1.89 2.03 0.00 3.12 0.00 0.00 3.66 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 67 F 8.34 5.04 0.00 2.73 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 68 S 8.82 4.90 0.00 3.96 4.05 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 69 M 7.84 4.93 0.00 1.41 0.88 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.93 0.00 70 T 8.82 4.51 4.25 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 0.00 0.00 1.25 0.00 0.00 71 V 8.44 5.19 2.31 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 1.24 0.00 0.00 1.15 0.00 0.00 72 N 8.83 4.82 0.00 2.89 2.79 0.00 0.00 7.00 8.12 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 73 D 8.94 4.49 0.00 2.68 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 74 Q 8.38 4.46 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 75 K 8.86 4.97 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 76 F 8.80 5.48 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 77 D 8.71 5.25 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.22 4.38 0.00 0.42 0.75 0.40 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.73 5.26 0.00 2.52 2.52 0.00 0.00 6.39 6.96 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 80 I 8.61 4.39 1.49 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.55 0.00 0.00 81 I 8.43 4.42 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.86 0.00 0.00 82 G 8.48 3.52 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 0.00 0.00 0.00 83 A 8.67 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.47 4.81 0.00 1.81 1.73 0.00 3.19 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 85 E 8.33 2.00 0.00 1.58 1.69 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 2.20 1.86 0.00 86 D 7.75 4.55 0.00 2.70 2.72 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 87 D 8.72 4.72 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 0.00 0.00 0.00 89 G 7.15 2.39 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 0.00 90 E 7.66 5.02 0.00 1.54 1.56 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 2.28 2.22 0.00 91 Y 8.98 4.85 0.00 2.88 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 92 F 9.45 5.61 0.00 2.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 4.89 0.00 1.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.17 4.24 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 0.00 95 E 8.53 5.09 0.00 1.90 1.79 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 2.09 2.10 0.00 96 V 8.14 3.90 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 0.75 0.00 0.00 0.90 0.00 0.00 97 E 9.34 4.74 0.00 1.90 1.75 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 2.15 2.13 0.00 98 G 8.31 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.66 3.98 1.85 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 1.44 0.88 0.89 0.00 0.00 100 I 7.27 4.69 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.87 0.00 0.00 101 I 8.06 4.48 1.57 0.00 0.00 -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 0.96 0.49 0.52 0.00 0.00 102 K 8.26 4.39 0.00 1.61 1.60 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.28 7.81 103 F 8.65 5.01 0.00 2.87 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 0.00 104 T 9.03 4.59 4.25 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 0.00 0.00 1.18 0.00 0.00 105 S 7.60 4.67 0.00 4.01 4.04 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 0.00 0.00 0.00 0.00 106 G 8.17 4.69 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 0.00 0.00 0.00 107 T 9.24 5.31 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 1.27 0.00 0.00 108 R 9.53 4.88 0.00 1.97 1.92 0.00 3.36 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 109 L 9.26 5.23 0.00 1.77 1.76 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.47 5.24 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 111 F 8.75 4.79 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