NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 D 4.6063 8.3601 119.5490 53.2126 41.4257 174.8652 5 A 4.4550 8.6460 124.6159 51.1066 20.9228 175.6687 6 Q 4.5426 8.5837 114.8972 53.0703 30.5832 179.2991 7 W 4.9052 8.6717 118.3328 57.7643 29.7133 176.2527 8 L 4.5018 8.6258 124.2159 55.2494 41.9054 177.4117 9 T 4.3863 9.4080 114.0991 60.7538 70.7072 175.6673 10 A 3.9828 8.7222 123.0424 55.3691 18.3059 179.4260 11 E 3.8768 8.1276 117.2082 59.4869 29.7407 178.7152 12 E 3.9793 8.0609 118.1607 59.4417 29.4927 179.5503 13 R 3.8826 8.1497 118.1494 59.3721 29.9276 178.6718 14 D 4.3934 8.0389 119.1306 57.8798 41.2389 178.5423 15 Q 4.1940 7.8584 120.5382 59.1764 28.0997 180.2238 16 L 4.6835 8.0653 119.3826 56.1911 42.8544 179.0877 17 I 3.9307 7.8641 119.9495 63.7369 36.9888 176.3994 18 P 4.3454 0.0000 0.0000 65.6927 31.0762 178.7543 19 G 3.6205 8.0362 103.8791 47.8467 0.0000 175.6348 20 L 4.1436 7.4964 121.7781 57.4512 41.6131 179.7497 21 K 4.8893 8.7143 119.8768 59.0209 31.7642 179.2910 22 A 4.0705 8.1857 120.0893 54.5769 18.3730 178.6352 23 A 4.3395 7.5481 116.8212 52.1222 19.0685 177.8558 24 G 3.8735 7.8437 104.4028 44.6602 0.0000 174.5651 25 W 4.6745 8.7067 120.8986 56.4068 30.6951 175.5124 26 S 5.1189 9.4271 116.6803 56.8058 66.5696 172.2948 27 E 5.1214 8.6573 119.9628 54.8576 30.6695 176.3067 28 L 4.2749 8.6504 124.9093 54.8142 41.9493 177.6591 29 S 4.2428 8.8434 118.8646 61.2019 63.5974 175.6398 30 E 4.4192 8.0089 114.2460 56.0799 30.2440 178.7096 31 R 4.7233 7.4170 114.4353 55.4057 34.1886 175.0748 32 D 4.4861 8.2928 120.3707 52.7885 39.8390 174.9480 33 A 4.9314 7.6895 124.3032 50.1627 23.2868 174.6674 34 I 5.1337 8.5973 112.7645 59.6631 40.8131 174.0453 35 Y 5.5513 9.4697 123.8950 56.5458 42.8564 173.6449 36 K 3.9233 7.3883 123.1994 55.0367 36.1471 173.4183 37 E 4.7300 8.0590 127.9915 54.6011 31.1558 174.6584 38 F 4.3958 9.4242 125.8862 55.7659 41.7300 175.0125 39 S 4.8397 8.0355 117.9092 57.1135 65.3123 173.6322 40 F 4.5419 8.6894 125.2341 55.6921 40.8784 175.9895 41 K 4.1179 9.2683 120.6525 59.6111 32.2948 176.1196 42 N 4.2375 7.3861 113.5519 50.6627 39.7704 174.2088 43 F 4.2684 7.8906 119.8035 60.6349 39.2746 176.8090 44 N 4.1232 8.1615 116.4843 56.8033 38.8238 176.6893 45 Q 3.7784 8.7218 119.4285 58.7226 28.6988 178.5858 46 A 2.9341 7.5098 121.6876 54.9424 18.3742 179.5455 47 F 3.5675 8.2046 119.4790 60.6969 39.3059 177.7067 48 G 3.4583 7.7873 105.7924 47.4887 0.0000 175.5030 49 F 4.0514 7.8232 122.9741 61.3507 39.3376 177.1341 50 M 3.7249 7.7334 118.4658 58.3513 31.5567 178.9731 51 S 3.9071 7.7555 115.6434 61.4932 63.0094 176.9820 52 R 3.9734 7.6709 120.3932 59.1813 29.7319 179.2921 53 V 3.7126 7.7857 117.9551 65.7550 31.4915 177.9631 54 A 3.9755 8.4675 121.1093 55.0592 18.2460 179.5754 55 L 3.8418 7.8736 117.4821 58.0464 41.6271 179.6172 56 Q 3.5731 7.7442 118.9861 58.7428 28.7676 177.9778 57 A 4.0255 7.8748 123.6461 54.6712 18.1583 179.4899 58 E 3.9161 7.8046 115.8522 59.0019 29.5956 179.0789 59 K 3.9990 7.7154 119.2894 59.3844 32.3668 178.1364 60 M 4.1081 8.0715 116.9563 54.5045 32.9219 175.3790 61 N 4.0955 8.0078 116.6335 54.2869 37.9656 174.0546 62 H 4.6794 7.5400 116.2293 54.9718 32.8108 171.0549 63 H 4.7025 8.4655 123.9115 53.2140 31.0002 172.4176 64 P 4.4983 0.0000 0.0000 62.2752 33.0949 175.0612 65 E 4.8206 8.7561 120.5451 54.5820 31.0453 175.3308 66 W 6.0305 9.1557 121.0033 54.8138 31.8330 174.0909 67 F 5.1143 9.5293 123.5896 56.5897 41.9771 173.3827 68 N 5.4308 7.6934 122.7983 51.8155 42.4656 174.2837 69 V 4.1367 8.3641 124.7703 61.0285 34.5306 176.2411 70 Y 3.7028 8.8928 129.2627 58.8545 38.6061 171.3573 71 N 4.7771 9.3622 117.2923 52.9287 38.7134 174.2663 72 K 5.1138 8.2317 120.0797 55.1459 34.7970 175.7017 73 V 4.7902 8.9896 123.7087 61.5592 34.8785 173.8400 74 Q 5.0485 9.6404 128.1876 54.4987 30.9493 174.7928 75 I 5.2617 8.6478 124.9628 59.8332 40.8265 174.5689 76 T 5.4452 9.3549 123.5506 61.8154 71.7040 172.9666 77 L 5.1397 9.0123 126.3732 53.3523 44.7272 175.5250 78 T 4.6764 8.3228 115.8406 61.6722 70.7972 172.8324 79 S 4.6996 8.8379 124.6693 57.7695 63.3435 175.7233 *80 H 4.2939 8.9462 123.1948 57.1335 28.1403 173.8745 81 D 4.6196 8.3316 117.7615 55.9265 39.0871 176.7347 82 C 4.7200 7.9154 110.5089 56.5868 30.9012 173.4703 83 G 3.9263 8.3067 108.2319 46.1170 0.0000 172.4560 84 G 3.3917 7.1150 104.2267 45.3689 0.0000 172.8654 85 L 4.8801 8.3454 120.7689 54.7313 43.0789 176.9664 86 T 5.1452 9.0337 112.5154 59.0563 72.5576 174.9239 87 K 4.0686 8.6871 119.5954 59.0624 31.8293 179.7519 88 R 3.8003 7.6834 119.0048 59.1532 29.8218 178.6464 89 D 4.3084 7.8841 118.3154 57.1705 40.7798 178.9637 90 V 3.3838 7.5664 118.2272 65.9728 31.6295 178.0987 91 K 3.9458 8.2298 118.5447 59.3271 31.7503 179.1767 92 L 3.9724 8.1028 120.5378 57.9785 42.0263 178.8391 93 A 3.8059 8.0201 120.9358 55.1762 18.0138 179.6707 94 Q 3.9864 8.1932 116.6607 58.9266 28.6540 178.7563 95 F 4.0944 8.3019 121.8236 61.3033 39.4008 177.1472 96 I 3.7241 8.2788 119.7840 64.5973 36.7961 178.2077 97 E 4.2964 8.6617 121.7879 60.0231 29.0817 180.2792 98 K 3.9734 7.6050 122.5267 59.7340 31.8780 180.7581 99 A 4.1888 7.6167 121.1963 54.8421 18.3095 179.3727 100 A 4.0988 8.2817 118.3509 54.5845 18.5061 177.9363 101 A 4.2960 7.5591 123.4826 52.5172 18.8784 177.0296 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 *4 D 8.36 4.61 0.00 2.71 2.53 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 5 A 8.65 4.45 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 6 Q 8.58 4.54 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 7 W 8.67 4.91 0.00 3.14 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 8 L 8.63 4.50 0.00 1.53 1.61 0.88 0.77 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 9 T 9.41 4.39 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 1.30 0.00 0.00 10 A 8.72 3.98 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 11 E 8.13 3.88 0.00 2.05 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 2.38 2.40 0.00 12 E 8.06 3.98 0.00 2.21 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 2.33 2.36 0.00 13 R 8.15 3.88 0.00 2.01 1.96 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 14 D 8.04 4.39 0.00 2.67 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 15 Q 7.86 4.19 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 16 L 8.07 4.68 0.00 1.62 1.67 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.86 3.93 1.98 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 1.62 0.84 0.92 0.00 0.00 18 P 0.00 4.35 0.00 2.16 2.12 0.00 3.63 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 2.30 2.17 0.00 19 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 20 L 7.50 4.14 0.00 1.94 1.55 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.71 4.89 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.53 7.81 22 A 8.19 4.07 1.40 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 0.00 0.00 23 A 7.55 4.34 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 24 G 7.84 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.71 4.67 0.00 3.35 3.21 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 26 S 9.43 5.12 0.00 3.89 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 27 E 8.66 5.12 0.00 1.89 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 2.28 2.37 0.00 28 L 8.65 4.27 0.00 1.71 1.58 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.84 4.24 0.00 3.96 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 30 E 8.01 4.42 0.00 2.00 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 2.17 1.89 0.00 31 R 7.42 4.72 0.00 1.72 1.78 0.00 3.18 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 32 D 8.29 4.49 0.00 2.34 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 33 A 7.69 4.93 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 34 I 8.60 5.13 2.16 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.94 0.00 0.00 35 Y 9.47 5.55 0.00 3.05 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 36 K 7.39 3.92 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.39 7.81 37 E 8.06 4.73 0.00 1.95 1.67 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 2.16 2.37 0.00 38 F 9.42 4.40 0.00 2.84 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 0.00 0.00 0.00 0.00 39 S 8.04 4.84 0.00 3.53 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 40 F 8.69 4.54 0.00 2.83 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 41 K 9.27 4.12 0.00 1.81 1.90 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.41 7.81 42 N 7.39 4.24 0.00 2.84 2.91 0.00 0.00 5.89 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 43 F 7.89 4.27 0.00 2.94 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 44 N 8.16 4.12 0.00 2.88 2.93 0.00 0.00 7.24 6.86 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 45 Q 8.72 3.78 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 46 A 7.51 2.93 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 47 F 8.20 3.57 0.00 1.78 2.49 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 48 G 7.79 3.46 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 0.00 49 F 7.82 4.05 0.00 2.60 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 50 M 7.73 3.72 0.00 1.16 1.29 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 1.74 0.00 51 S 7.76 3.91 0.00 3.80 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 52 R 7.67 3.97 0.00 1.98 2.16 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 53 V 7.79 3.71 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 0.72 0.00 0.00 0.43 0.00 0.00 54 A 8.47 3.98 1.45 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 0.00 0.00 55 L 7.87 3.84 0.00 1.81 1.64 0.90 0.67 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 56 Q 7.74 3.57 0.00 1.10 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 57 A 7.87 4.03 1.14 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 58 E 7.80 3.92 0.00 2.05 1.99 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 2.35 2.45 0.00 59 K 7.72 4.00 0.00 1.71 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 60 M 8.07 4.11 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 61 N 8.01 4.10 0.00 2.79 2.83 0.00 0.00 6.84 7.49 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 62 H 7.54 4.68 0.00 3.11 2.99 0.00 5.88 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.47 4.70 0.00 3.02 3.05 0.00 5.94 0.00 0.00 0.00 0.00 6.74 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 4.50 0.00 1.51 1.61 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.76 4.82 0.00 2.22 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 2.30 2.26 0.00 66 W 9.16 6.03 0.00 3.41 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 67 F 9.53 5.11 0.00 3.28 3.09 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 68 N 7.69 5.43 0.00 2.53 2.38 0.00 0.00 6.84 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 69 V 8.36 4.14 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 0.86 0.00 0.00 1.00 0.00 0.00 70 Y 8.89 3.70 0.00 3.14 2.44 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 71 N 9.36 4.78 0.00 2.95 2.66 0.00 0.00 5.85 7.89 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 72 K 8.23 5.11 0.00 1.85 1.88 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.63 7.81 73 V 8.99 4.79 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.13 0.00 0.00 74 Q 9.64 5.05 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 75 I 8.65 5.26 2.14 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 1.74 1.21 1.19 0.00 0.00 76 T 9.35 5.45 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 1.38 0.00 0.00 77 L 9.01 5.14 0.00 1.56 1.70 0.76 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.32 4.68 4.26 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 1.24 0.00 0.00 79 S 8.84 4.70 0.00 4.08 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 *80 H 8.95 4.29 0.00 2.93 2.99 0.00 7.21 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.33 4.62 0.00 2.79 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 82 C 7.92 4.72 0.00 3.11 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 83 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 84 G 7.12 3.39 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 85 L 8.35 4.88 0.00 1.45 1.52 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.03 5.15 4.38 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 0.00 0.00 0.00 1.37 0.00 0.00 87 K 8.69 4.07 0.00 1.87 1.87 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 88 R 7.68 3.80 0.00 1.50 1.44 0.00 2.99 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 89 D 7.88 4.31 0.00 2.81 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 90 V 7.57 3.38 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 0.99 0.00 0.00 0.85 0.00 0.00 91 K 8.23 3.95 0.00 1.88 1.81 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 92 L 8.10 3.97 0.00 1.80 1.61 0.86 0.92 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 93 A 8.02 3.81 0.53 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 94 Q 8.19 3.99 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 95 F 8.30 4.09 0.00 3.18 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 96 I 8.28 3.72 2.42 0.00 0.00 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 1.61 0.77 1.22 0.00 0.00 97 E 8.66 4.30 0.00 2.29 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 2.92 2.70 0.00 98 K 7.61 3.97 0.00 1.80 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 99 A 7.62 4.19 1.08 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 0.00 0.00 100 A 8.28 4.10 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 0.00 101 A 7.56 4.30 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 * Residues marked with a * may have inaccurate shift predictions.