NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3110 8.1927 115.2775 57.3568 64.2642 174.7613 2 D 4.1485 8.2489 119.1555 57.1323 40.8770 175.5395 3 K 4.4653 8.7405 116.2315 55.8818 33.6010 174.6904 4 I 4.6388 7.1536 120.7799 59.3019 38.8916 175.7271 5 I 3.8367 8.7192 129.1774 61.5594 38.1840 174.6631 6 H 4.8202 8.8470 127.4626 55.5825 30.1366 174.3954 7 L 4.7919 8.4401 126.3958 53.5971 43.7524 175.9158 8 T 4.8547 8.4055 109.9622 59.0186 72.1287 174.6976 9 D 4.5148 8.8240 123.4838 57.2513 40.7990 178.9593 10 D 4.5530 8.1194 117.8533 56.6801 41.2026 177.8192 11 S 4.5276 8.0434 113.0051 58.6372 63.4981 175.7236 12 F 3.8424 7.9868 125.4074 61.5772 39.1288 176.3427 13 D 4.3229 8.1760 116.8321 57.7566 40.9914 178.0231 14 T 3.8161 7.8119 114.1818 66.8560 68.5953 175.7117 15 D 4.4224 8.1884 119.4453 55.7970 41.3438 177.7551 16 V 3.7562 7.3055 116.8956 64.4788 32.5045 177.9213 17 L 3.9616 7.4128 117.8689 57.0684 41.7718 178.5777 18 K 4.4879 7.6623 115.3492 55.7213 32.2045 176.4675 19 A 3.9618 7.4326 122.5060 52.3263 18.7090 177.4032 20 D 4.3850 8.5394 120.8537 54.4208 41.5528 177.3958 21 G 3.8188 8.7027 115.3498 44.1813 0.0000 171.8545 22 A 4.4370 8.1798 119.6677 52.0655 19.7791 176.7769 23 I 4.9178 8.8339 121.3524 59.2321 41.6613 173.5347 24 L 5.0020 9.0068 132.3370 53.8302 43.6870 174.9527 25 V 4.6649 9.2576 127.1682 61.2207 33.9137 173.5899 26 D 5.1899 9.0124 128.7669 53.0027 42.7584 174.9276 27 F 5.1692 9.3121 126.2678 56.3123 40.5279 175.2095 28 W 5.2860 9.0242 120.0348 55.6740 32.3371 173.1736 29 A 3.6809 7.9224 119.0691 50.2454 21.1363 177.2097 30 E 4.0071 8.1994 120.9836 58.7538 29.8444 178.1085 31 W 4.3968 7.2422 113.3594 57.4046 29.0377 177.1588 32 C 4.7274 7.4718 120.7485 55.2805 38.8571 173.5953 33 G 3.7576 8.7562 115.6170 47.7820 0.0000 172.0525 34 P 4.3381 0.0000 0.0000 64.9776 31.1419 179.4501 35 C 4.2924 8.1477 115.0644 60.1621 40.0529 176.2029 36 K 3.7605 7.7034 117.8675 59.5233 31.6078 179.0988 37 M 4.2074 7.7684 118.8476 57.8417 32.2151 177.9888 38 I 4.0226 7.6796 111.1924 61.7845 38.3313 177.5194 39 A 3.7976 7.4790 123.8504 55.1819 18.1445 177.8920 40 P 4.3561 0.0000 0.0000 65.5553 31.3431 178.9686 41 I 4.0161 7.4424 119.7872 63.8155 37.0954 178.1783 42 L 3.9324 7.9310 119.8449 57.8182 41.3697 179.3558 43 D 4.3227 7.9727 118.5694 57.2682 40.4381 178.5859 44 E 3.9536 8.1950 118.9957 59.5510 29.4798 179.5176 45 I 3.8696 7.9732 119.5596 64.3582 36.9444 178.1562 46 A 4.0170 8.2604 120.7113 55.2842 18.3079 178.9791 47 D 4.4024 8.1202 116.2109 57.7841 41.2092 178.4486 48 E 4.0344 8.4844 117.8935 58.7027 29.5803 177.9699 49 Y 4.4732 8.3271 115.4004 56.4355 38.3044 175.0508 50 Q 4.1043 7.2617 122.3789 57.8568 29.3603 177.0877 51 G 4.0198 9.2263 113.4501 45.2204 0.0000 173.3279 52 K 4.5409 7.9768 118.1207 55.8266 34.0213 175.3351 53 L 4.7882 7.6595 117.6623 54.5841 44.8572 173.8196 54 T 4.7393 8.5796 115.6219 59.9409 71.9444 173.1694 55 V 4.9017 8.2169 121.9601 61.2515 34.8410 174.0042 56 A 5.2395 9.0450 127.7705 50.3396 23.3361 174.8311 57 K 4.9950 9.0800 117.9127 54.4848 36.8548 175.4365 58 L 4.8573 8.8711 126.1010 53.1413 44.8471 174.8196 59 N 4.3202 8.7182 126.5310 52.7272 38.9294 175.4412 60 I 4.1173 8.5268 121.3471 62.8169 38.3423 178.2803 61 D 4.4749 8.1344 122.5187 57.2138 41.0641 177.5637 62 Q 4.1963 8.1400 117.2514 57.8278 28.7380 175.9493 63 N 5.0052 8.1932 115.7200 50.7675 38.7389 172.7167 64 P 4.7910 0.0000 0.0000 62.4404 32.4210 178.4540 65 G 3.7600 8.4787 109.0009 48.6792 0.0000 175.7954 66 T 3.9362 8.4743 116.7754 66.4411 68.9709 176.6093 67 A 3.8390 8.3581 122.7795 54.9848 18.3255 177.6968 68 P 4.1427 0.0000 0.0000 65.7302 31.1039 178.8880 69 K 3.9464 7.7806 116.2374 58.4354 31.9107 177.8257 70 Y 4.4281 7.7585 115.0599 56.6261 38.2973 175.8985 71 G 3.8802 7.7245 107.5648 46.2907 0.0000 174.1457 72 I 3.7843 7.7154 120.4263 61.1468 37.4173 176.2397 73 R 4.3946 8.5295 123.6588 57.0629 31.3253 176.2163 74 G 4.2821 7.6094 104.2006 44.4088 0.0000 171.7753 75 I 4.7552 8.0025 112.5463 57.8245 40.6315 173.5660 76 P 4.9936 0.0000 0.0000 62.6255 33.1505 174.9953 77 T 5.0051 8.4983 116.9563 61.9415 72.4923 172.5157 78 L 5.1686 9.1499 126.9236 53.2565 43.9220 175.3138 79 L 4.9900 9.1874 124.7743 52.8952 44.3432 175.3190 80 L 4.9968 9.0089 127.1411 54.0005 43.2220 175.1644 81 F 5.2506 9.4432 126.3494 56.4628 41.4005 175.5727 82 K 4.6978 8.8909 120.8210 55.5479 36.6661 176.3317 83 N 4.0791 9.9506 122.8936 54.5099 35.8981 175.3164 84 G 4.2272 9.8110 104.9025 44.8049 0.0000 172.9265 85 E 4.9908 7.9639 116.7675 54.4235 32.8638 174.5927 86 V 3.4101 8.2122 119.4576 62.9063 31.8887 175.2609 87 A 4.5071 8.9661 129.2340 53.7661 20.2159 176.4354 88 A 4.7002 7.5726 114.7331 51.6659 22.7762 174.8955 89 C 5.2976 8.5961 112.7050 57.0842 33.1886 173.4413 90 K 4.4260 8.9736 120.9846 54.8050 35.1745 174.7996 91 V 4.3909 8.6272 127.2890 62.4298 32.9438 176.4846 92 G 3.9890 9.2803 112.5358 45.0238 0.0000 172.9480 93 A 4.1515 8.0114 121.8878 52.3529 18.9123 176.7101 94 L 4.5912 7.7585 118.6846 53.5065 43.3800 175.7702 95 S 4.4924 8.8098 114.9735 57.3427 65.3328 174.9627 96 K 3.9219 8.6731 123.3486 59.9296 31.8053 179.0549 97 G 3.6216 8.0441 105.2326 47.9607 0.0000 175.5490 98 Q 4.2137 8.1594 120.5652 58.5254 28.6109 178.6812 99 L 3.9662 8.1268 121.4409 58.0300 42.1019 178.9055 100 K 3.9769 8.3320 118.7564 59.7463 31.9768 179.0472 101 E 3.9939 8.3588 118.5453 59.2875 29.3296 178.9376 102 F 4.1119 8.3459 120.6441 61.5005 39.4151 177.2614 103 L 3.8106 8.3677 118.5865 57.9776 41.2243 179.2653 104 D 4.5302 8.3094 117.6263 57.3378 40.8031 178.5315 105 A 4.0800 8.1339 120.4671 54.2430 18.3687 178.3019 106 N 4.7290 7.4020 114.6595 53.8115 40.3629 175.4435 107 L 4.2757 8.2059 125.0525 54.2157 41.1718 181.2818 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 S 8.19 4.31 0.00 3.76 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 2 D 8.25 4.15 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 3 K 8.74 4.47 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 4 I 7.15 4.64 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.82 0.00 0.00 5 I 8.72 3.84 1.80 0.00 0.00 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 1.08 0.68 0.86 0.00 0.00 6 H 8.85 4.82 0.00 3.18 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.44 4.79 0.00 1.65 1.61 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.41 4.85 4.35 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 1.22 0.00 0.00 9 D 8.82 4.51 0.00 2.71 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 10 D 8.12 4.55 0.00 2.67 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 11 S 8.04 4.53 0.00 4.05 4.11 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 12 F 7.99 3.84 0.00 3.29 3.15 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 13 D 8.18 4.32 0.00 2.92 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 14 T 7.81 3.82 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 1.19 0.00 0.00 15 D 8.19 4.42 0.00 2.51 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 16 V 7.31 3.76 0.82 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 -0.22 0.00 0.00 -0.15 0.00 0.00 17 L 7.41 3.96 0.00 2.01 1.75 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.66 4.49 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 19 A 7.43 3.96 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 20 D 8.54 4.39 0.00 2.62 2.59 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 21 G 8.70 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.18 4.44 1.26 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 0.00 0.00 23 I 8.83 4.92 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.67 0.86 0.00 0.00 24 L 9.01 5.00 0.00 1.81 1.51 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.26 4.66 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.83 0.00 0.00 26 D 9.01 5.19 0.00 2.76 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 27 F 9.31 5.17 0.00 3.17 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 28 W 9.02 5.29 0.00 3.38 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 29 A 7.92 3.68 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.01 0.00 1.80 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 2.35 2.44 0.00 31 W 7.24 4.40 0.00 3.54 3.20 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 32 C 7.47 4.73 0.00 2.20 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 33 G 8.76 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 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.19 2.13 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.15 4.29 0.00 3.22 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 36 K 7.70 3.76 0.00 1.75 1.88 0.00 1.76 0.00 0.00 2.09 0.00 0.00 3.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.71 7.81 37 M 7.77 4.21 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 38 I 7.68 4.02 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.69 0.92 0.00 0.00 39 A 7.48 3.80 1.10 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 40 P 0.00 4.36 0.00 2.13 2.07 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 41 I 7.44 4.02 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.89 0.00 0.00 42 L 7.93 3.93 0.00 1.75 1.63 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.97 4.32 0.00 2.88 2.68 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 0.00 0.00 0.00 0.00 44 E 8.20 3.95 0.00 2.22 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 0.00 2.33 2.53 0.00 45 I 7.97 3.87 1.94 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 1.66 0.82 0.68 0.00 0.00 46 A 8.26 4.02 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 47 D 8.12 4.40 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.48 4.03 0.00 2.14 1.90 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 2.33 2.47 0.00 49 Y 8.33 4.47 0.00 3.12 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 50 Q 7.26 4.10 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 51 G 9.23 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 52 K 7.98 4.54 0.00 1.69 2.06 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.38 7.81 53 L 7.66 4.79 0.00 1.70 1.57 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.58 4.74 4.21 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 1.20 0.00 0.00 55 V 8.22 4.90 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 0.97 0.00 0.00 0.90 0.00 0.00 56 A 9.04 5.24 1.06 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 57 K 9.08 5.00 0.00 1.63 1.80 0.00 1.33 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.17 1.16 7.81 58 L 8.87 4.86 0.00 1.52 1.00 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.72 4.32 0.00 2.38 2.56 0.00 0.00 6.92 7.85 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 60 I 8.53 4.12 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 1.09 0.00 0.00 61 D 8.13 4.47 0.00 2.77 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 62 Q 8.14 4.20 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 63 N 8.19 5.01 0.00 2.81 3.03 0.00 0.00 6.67 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 64 P 0.00 4.79 0.00 2.19 2.18 0.00 3.37 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 65 G 8.48 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 0.00 0.00 0.00 66 T 8.47 3.94 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 0.68 0.00 0.00 67 A 8.36 3.84 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 68 P 0.00 4.14 0.00 2.13 2.10 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 69 K 7.78 3.95 0.00 1.70 1.48 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.55 7.81 70 Y 7.76 4.43 0.00 2.82 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 71 G 7.72 3.88 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 0.00 72 I 7.72 3.78 1.65 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 0.81 0.00 0.00 73 R 8.53 4.39 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 74 G 7.61 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 0.00 0.00 0.00 75 I 8.00 4.76 1.98 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 1.03 0.00 0.00 76 P 0.00 4.99 0.00 2.16 2.25 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 77 T 8.50 5.01 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 1.17 0.00 0.00 78 L 9.15 5.17 0.00 1.37 1.55 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.19 4.99 0.00 1.89 1.33 0.72 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.01 5.00 0.00 1.95 1.74 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.44 5.25 0.00 2.86 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 82 K 8.89 4.70 0.00 1.69 1.68 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.45 7.81 83 N 9.95 4.08 0.00 2.90 2.92 0.00 0.00 7.25 7.65 0.00 0.00 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 G 9.81 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.99 0.00 2.17 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 2.27 2.30 0.00 86 V 8.21 3.41 1.94 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 0.63 0.00 0.00 0.34 0.00 0.00 87 A 8.97 4.51 1.26 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 0.00 0.00 88 A 7.57 4.70 1.18 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 0.00 0.00 0.00 89 C 8.60 5.30 0.00 3.02 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 90 K 8.97 4.43 0.00 1.02 0.93 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.96 1.18 7.81 91 V 8.63 4.39 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 0.83 0.00 0.00 0.91 0.00 0.00 92 G 9.28 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 93 A 8.01 4.15 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 94 L 7.76 4.59 0.00 1.79 1.56 0.84 0.49 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 95 S 8.81 4.49 0.00 4.08 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 96 K 8.67 3.92 0.00 1.84 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.55 7.81 97 G 8.04 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.21 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.13 3.97 0.00 1.72 1.79 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.33 3.98 0.00 2.07 2.01 0.00 2.00 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.73 1.79 7.81 101 E 8.36 3.99 0.00 2.25 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 0.00 2.37 2.57 0.00 102 F 8.35 4.11 0.00 3.17 3.25 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 0.00 103 L 8.37 3.81 0.00 1.71 1.52 0.40 1.09 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 0.00 104 D 8.31 4.53 0.00 2.66 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 0.00 105 A 8.13 4.08 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 0.00 106 N 7.40 4.73 0.00 2.57 2.64 0.00 0.00 6.82 7.73 0.00 0.00 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 L 8.21 4.28 0.00 1.61 1.42 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00