NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5746 8.2827 118.1106 53.0663 40.2439 175.7963 4 N 3.5872 8.0778 119.0472 55.0023 39.3670 174.4240 5 K 4.0496 8.4150 118.1038 58.1747 33.9167 178.0778 6 Q 3.8019 7.0868 118.0955 59.4996 28.3210 178.9613 7 Y 2.7823 6.7721 116.9699 60.6440 38.0316 177.9017 8 E 3.3230 8.0586 118.9160 60.2782 28.9872 178.5322 9 L 4.0414 7.5336 119.7831 56.9238 41.5315 179.0213 10 F 3.9506 7.8856 115.0775 60.2856 37.8513 176.9547 11 M 4.1576 7.9965 119.8721 58.5766 31.9573 177.9879 12 K 3.9261 8.1013 118.2036 59.9947 32.1069 179.1622 13 S 4.1110 7.2834 114.6249 60.7880 62.9227 175.9373 14 L 4.0411 7.8985 122.6573 58.4357 41.8724 178.8665 15 I 3.7247 8.2038 119.8921 64.8082 37.0406 177.8040 16 E 4.1668 8.2702 119.5435 59.0640 29.1475 178.4983 17 N 4.4829 8.9311 117.7960 56.5436 39.2177 176.5123 18 C 3.9873 8.1353 115.4569 61.5349 29.3203 175.6229 19 K 3.7260 8.5039 121.5306 58.2358 31.8844 178.1922 20 K 4.3288 7.6357 117.7919 57.9614 33.0492 177.7304 21 R 4.3615 8.3579 119.9357 55.3685 30.8006 174.9070 22 N 4.0129 8.2256 112.2131 56.5078 37.3239 174.4570 23 M 3.2491 8.7123 115.0412 56.1699 31.5420 175.4350 24 P 4.8791 0.0000 0.0000 60.9826 31.2840 176.2454 25 L 4.4216 7.9892 127.9099 56.4515 42.6960 176.0959 26 Q 3.6180 7.9306 113.8963 54.8869 26.8961 173.3403 27 S 5.3436 6.9527 119.6968 58.0646 66.7793 177.1779 28 I 3.7414 8.1923 126.1947 61.0196 37.5984 175.8836 29 P 4.6257 0.0000 0.0000 62.0588 29.0233 176.5507 30 E 4.0943 7.7460 120.5035 57.3639 28.9807 175.4928 31 I 4.1003 8.0445 121.4257 59.7294 38.0516 173.3700 32 G 3.7686 8.2395 117.3932 43.0217 0.0000 172.9647 33 N 5.1448 7.4353 129.3783 52.4485 42.0555 174.8605 34 R 4.2197 7.6561 111.9479 55.4778 32.6319 172.7690 35 K 3.7568 8.6486 118.2907 56.9644 32.3585 176.9795 36 I 3.8620 8.2287 118.4048 61.3751 38.3414 175.0911 37 N 5.0789 8.2093 118.7074 52.7644 38.9611 175.7504 38 L 3.5667 7.4549 114.0656 58.7871 41.7766 178.1933 39 F 4.2727 8.2314 120.3331 61.6615 39.0526 175.8739 40 Y 3.9141 8.1750 119.6587 58.9031 38.4330 176.7414 41 L 4.1297 8.3443 121.6694 59.2900 40.6569 179.1916 42 Y 4.2411 8.5940 120.5432 61.1313 38.5338 177.4075 43 M 3.4721 8.4247 120.7149 58.3677 31.9101 178.7353 44 L 4.3478 7.6728 119.1800 57.2363 41.5881 179.3812 45 V 4.0494 8.5842 119.6248 64.8124 30.8111 177.9568 46 Q 4.1903 7.8088 120.6876 59.3686 28.4916 178.7117 47 K 3.6098 8.0243 119.8753 59.0505 32.0529 177.1601 48 F 4.6916 9.5865 119.5917 58.4614 40.6028 175.3617 49 G 4.2903 8.3456 105.8154 44.6731 0.0000 173.1572 50 G 3.7537 7.6680 108.1600 43.2142 0.0000 173.0602 51 A 3.0254 7.3460 127.5656 55.0148 17.7967 178.5693 52 D 4.1603 7.4522 117.4245 56.4028 40.9560 178.6104 53 Q 3.6922 7.6780 119.1324 57.3935 29.1459 177.2575 54 V 3.8552 6.5006 118.9873 63.0743 31.5498 177.7304 55 T 2.6131 8.1110 110.3508 62.8839 68.8821 174.8579 56 R 4.4169 6.9610 119.0716 56.2220 30.0436 174.2058 57 T 4.7268 7.6347 114.3293 61.8729 70.4808 172.5451 58 Q 4.3347 8.8096 116.5634 58.9474 29.2738 177.5824 59 Q 4.2848 8.3346 118.6063 59.0502 28.6440 179.0670 60 W 5.1468 8.5217 128.8367 60.8433 30.7530 177.4370 61 S 4.3139 8.8287 113.5056 61.9234 61.4115 176.1452 62 M 4.0954 7.9741 120.3450 59.1928 32.0228 178.2666 63 V 3.5509 8.2302 117.9514 64.9031 31.4784 177.3300 64 A 3.6263 8.2513 120.0665 55.3041 18.3702 178.9092 65 Q 4.2729 8.2740 113.0362 56.4215 29.1756 177.5032 66 R 4.2122 8.5768 122.1026 58.3682 30.3878 176.5431 67 L 4.3485 7.6039 116.2653 55.2793 40.9588 176.2679 68 Q 3.3691 7.8824 114.9027 58.2159 26.1986 174.0612 69 I 4.1143 7.6138 116.6138 60.6357 40.3103 174.8371 70 S 3.6863 8.1626 112.8975 59.1936 61.6837 171.8609 71 D 4.3283 7.2775 113.8438 50.7993 40.7934 174.8948 72 Y 3.7633 7.1118 122.0014 60.0016 36.8694 178.9926 73 Q 4.1766 7.7855 119.0891 59.4555 29.0285 178.3486 74 Q 4.1920 8.7127 120.5531 58.5776 28.5329 178.0379 75 L 3.7195 7.1549 117.9997 57.8413 41.4823 178.8752 76 E 4.1266 8.7820 119.1101 59.0133 29.5684 179.0601 77 S 4.1889 8.1118 113.3953 61.3288 61.9376 175.9162 78 I 3.7398 8.6661 117.1702 64.3622 37.5065 177.2937 79 Y 4.9617 8.1324 123.3537 59.4661 38.5476 177.6543 80 F 4.0422 9.1362 122.2191 61.1254 39.8095 177.0869 81 R 4.4499 7.9271 116.5393 57.4528 30.3519 176.9312 82 I 4.3943 7.4434 116.6936 62.5053 39.7552 177.0052 83 L 4.5387 7.4784 117.9559 52.7584 40.2868 174.8813 84 L 4.5533 7.9008 124.6030 58.3580 41.9346 175.5201 85 P 3.8869 0.0000 0.0000 66.4860 31.1871 177.1797 86 Y 4.2222 7.9522 115.6865 60.5117 38.0816 178.6290 87 E 3.7853 7.7466 119.8420 58.6740 29.2992 179.1624 88 R 4.2930 7.7767 114.5748 57.4834 30.1885 176.9886 89 H 4.5721 8.3532 118.1408 59.3834 31.0004 175.9714 90 M 4.7595 8.0487 119.2048 54.5880 31.5092 176.0439 91 I 4.6631 7.4769 111.1300 62.7635 42.2029 177.0856 92 S 4.3725 8.3145 116.1180 60.1677 63.4615 173.8924 93 Q 4.4888 8.1691 124.7927 56.1366 31.5122 174.9154 94 E 3.5415 9.4189 115.6877 56.3381 28.1262 174.4447 95 G 3.9569 8.3252 104.7519 44.9832 0.0000 174.3956 96 I 3.5120 7.9651 119.2501 61.6263 35.3506 176.0950 97 K 4.7159 7.7161 115.1937 57.5226 34.9294 176.0947 98 E 4.5536 8.0075 117.7388 58.0706 32.4931 176.4535 99 T 4.1534 7.1711 108.7552 63.8489 69.6482 175.8364 100 Q 3.9487 8.2539 119.4342 56.8061 29.9178 176.9249 101 A 4.3434 8.6265 117.7699 54.0789 16.4881 177.6007 102 K 3.6645 8.9056 115.0028 58.7430 31.3994 173.1042 103 R 4.0232 8.1257 126.8605 57.1681 30.7892 175.8655 104 I 3.5890 7.5714 121.2089 61.8202 37.0534 173.6127 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 N 8.28 4.57 0.00 2.74 2.81 0.00 0.00 6.66 6.01 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 4 N 8.08 3.59 0.00 2.70 2.76 0.00 0.00 7.21 5.89 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 5 K 8.41 4.05 0.00 1.68 1.69 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.32 7.81 6 Q 7.09 3.80 0.00 1.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 7 Y 6.77 2.78 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.32 0.00 2.06 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 0.00 2.36 2.44 0.00 9 L 7.53 4.04 0.00 1.57 1.49 0.82 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.89 3.95 0.00 1.51 2.65 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 0.00 0.00 0.00 0.00 11 M 8.00 4.16 0.00 1.91 1.88 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 2.63 2.56 0.00 12 K 8.10 3.93 0.00 1.94 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.63 7.81 13 S 7.28 4.11 0.00 3.68 2.63 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 14 L 7.90 4.04 0.00 1.80 2.02 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.20 3.72 1.91 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 1.44 0.59 0.94 0.00 0.00 16 E 8.27 4.17 0.00 2.40 2.21 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 2.38 2.56 0.00 17 N 8.93 4.48 0.00 3.12 3.01 0.00 0.00 7.01 8.08 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 18 C 8.14 3.99 0.00 3.23 3.24 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 19 K 8.50 3.73 0.00 1.92 1.91 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.47 7.81 20 K 7.64 4.33 0.00 1.91 2.08 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.72 7.81 21 R 8.36 4.36 0.00 1.94 1.97 0.00 3.65 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 22 N 8.23 4.01 0.00 2.90 2.91 0.00 0.00 7.32 7.67 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 23 M 8.71 3.25 0.00 2.19 1.98 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 2.60 2.52 0.00 24 P 0.00 4.88 0.00 2.51 2.18 0.00 3.96 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 2.16 2.02 0.00 25 L 7.99 4.42 0.00 2.13 1.92 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.93 3.62 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 S 6.95 5.34 0.00 4.04 3.83 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 28 I 8.19 3.74 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.94 0.00 0.00 29 P 0.00 4.63 0.00 2.17 2.11 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 30 E 7.75 4.09 0.00 1.96 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 2.46 2.36 0.00 31 I 8.04 4.10 1.82 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 1.46 0.74 0.85 0.00 0.00 32 G 8.24 3.77 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 0.00 0.00 0.00 33 N 7.44 5.14 0.00 2.68 2.77 0.00 0.00 6.80 7.63 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 34 R 7.66 4.22 0.00 1.90 1.91 0.00 3.09 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 35 K 8.65 3.76 0.00 1.64 1.66 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 36 I 8.23 3.86 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.92 0.00 0.00 37 N 8.21 5.08 0.00 2.68 2.73 0.00 0.00 6.34 5.27 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 38 L 7.45 3.57 0.00 1.72 1.37 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.23 4.27 0.00 2.30 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 40 Y 8.17 3.91 0.00 3.18 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 41 L 8.34 4.13 0.00 1.87 1.95 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.59 4.24 0.00 2.69 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 43 M 8.42 3.47 0.00 1.74 2.09 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 44 L 7.67 4.35 0.00 1.80 1.78 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.58 4.05 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 1.16 0.00 0.00 1.30 0.00 0.00 46 Q 7.81 4.19 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 47 K 8.02 3.61 0.00 1.79 2.14 0.00 1.32 0.00 0.00 1.50 0.00 0.00 3.18 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.60 1.44 7.81 48 F 9.59 4.69 0.00 3.06 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 49 G 8.35 4.29 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 0.00 50 G 7.67 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 0.00 0.00 0.00 51 A 7.35 3.03 -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 52 D 7.45 4.16 0.00 2.44 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 3.69 0.00 1.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 54 V 6.50 3.86 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 -0.48 0.00 0.00 1.06 0.00 0.00 55 T 8.11 2.61 4.29 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 1.04 0.00 0.00 56 R 6.96 4.42 0.00 1.74 1.87 0.00 2.86 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 57 T 7.63 4.73 4.62 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 1.59 0.00 0.00 58 Q 8.81 4.33 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 59 Q 8.33 4.28 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.05 0.00 60 W 8.52 5.15 0.00 3.58 3.18 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 61 S 8.83 4.31 0.00 4.05 3.97 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 62 M 7.97 4.10 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 63 V 8.23 3.55 1.66 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 0.62 0.00 0.00 1.42 0.00 0.00 64 A 8.25 3.63 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 65 Q 8.27 4.27 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 66 R 8.58 4.21 0.00 2.12 1.96 0.00 3.53 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 67 L 7.60 4.35 0.00 1.72 1.67 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.88 3.37 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 69 I 7.61 4.11 1.78 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 1.19 0.71 0.84 0.00 0.00 70 S 8.16 3.69 0.00 3.98 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 71 D 7.28 4.33 0.00 2.74 2.29 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 72 Y 7.11 3.76 0.00 3.57 3.37 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 0.00 73 Q 7.79 4.18 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 74 Q 8.71 4.19 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 75 L 7.15 3.72 0.00 1.24 0.13 0.42 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.78 4.13 0.00 2.36 2.13 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 0.00 2.55 2.44 0.00 77 S 8.11 4.19 0.00 4.14 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 78 I 8.67 3.74 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.90 0.00 0.00 79 Y 8.13 4.96 0.00 3.39 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 80 F 9.14 4.04 0.00 3.02 3.13 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 0.00 0.00 0.00 0.00 81 R 7.93 4.45 0.00 2.07 2.21 0.00 3.52 0.00 0.00 3.65 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 82 I 7.44 4.39 2.10 0.00 0.00 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 1.40 0.93 0.94 0.00 0.00 83 L 7.48 4.54 0.00 1.85 1.79 0.42 0.15 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 84 L 7.90 4.55 0.00 1.15 1.10 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 3.89 0.00 2.18 2.01 0.00 3.67 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 86 Y 7.95 4.22 0.00 3.05 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 87 E 7.75 3.79 0.00 1.16 1.12 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 1.47 2.04 0.00 88 R 7.78 4.29 0.00 1.99 1.94 0.00 3.35 0.00 0.00 3.11 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 89 H 8.35 4.57 0.00 3.31 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 8.05 4.76 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.73 0.00 91 I 7.48 4.66 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 1.03 0.00 0.00 92 S 8.31 4.37 0.00 3.93 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 93 Q 8.17 4.49 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.04 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 94 E 9.42 3.54 0.00 2.17 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 2.12 2.32 0.00 95 G 8.33 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 96 I 7.97 3.51 1.88 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 1.31 1.08 0.95 0.00 0.00 97 K 7.72 4.72 0.00 1.68 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 98 E 8.01 4.55 0.00 1.86 1.89 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 2.19 2.19 0.00 99 T 7.17 4.15 4.29 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 1.35 0.00 0.00 100 Q 8.25 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.40 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 101 A 8.63 4.34 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 0.00 102 K 8.91 3.66 0.00 1.95 1.91 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.35 7.81 103 R 8.13 4.02 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 104 I 7.57 3.59 1.87 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 1.28 0.78 0.91 0.00 0.00