NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2781 8.1593 117.3715 63.6090 69.7876 172.7896 7 T 4.4510 8.3813 116.4165 59.4341 71.0429 171.9239 8 T 4.5150 8.2193 121.1321 61.8513 71.8934 175.3369 9 T 4.3077 8.3945 116.6042 61.4099 69.9297 174.0682 10 L 4.6453 8.2059 120.8839 54.7071 41.8303 178.5797 11 E 4.0469 8.2125 118.2622 57.9702 29.8388 176.5229 12 K 4.7026 7.1332 118.0985 53.8301 35.6413 176.0583 13 R 3.8773 8.5102 120.0512 56.0847 30.4277 174.8642 14 P 4.5910 0.0000 0.0000 62.7093 32.1233 175.0524 15 E 5.3009 8.7402 123.6836 54.7082 32.8312 175.5185 16 I 4.7162 8.4930 120.9691 59.6744 42.0503 173.2985 17 L 4.8814 9.3329 132.1519 54.5635 43.3109 175.3786 18 I 5.0424 8.8748 126.5802 59.6511 41.8032 174.3595 19 F 4.6409 9.8765 125.7369 56.7645 40.5120 174.9860 20 V 4.5973 9.2505 125.5839 61.2203 32.7256 175.4503 21 N 4.5014 10.0027 128.3019 54.3956 36.4641 175.9387 22 G 4.0237 8.8864 104.6675 45.3053 0.0000 173.2112 23 Y 4.6920 7.7421 117.3732 54.9783 41.3335 173.2856 24 P 4.0024 0.0000 0.0000 62.6146 32.2301 175.7550 25 I 4.3751 8.5473 124.4659 59.1704 41.3439 174.1277 26 K 4.6500 8.4701 128.2301 55.3190 32.8088 175.6775 27 F 4.8665 9.2587 127.2910 56.3371 41.6296 174.7162 28 L 4.8861 8.9878 124.1279 53.5741 43.4921 175.5341 29 L 4.3777 8.9485 127.9030 55.0294 42.3815 176.6427 30 N 4.9655 9.2721 124.3363 51.7117 40.6537 174.9568 31 T 4.0803 8.8217 116.4942 63.3000 69.2928 175.4979 32 G 3.8999 8.2289 110.0006 45.2114 0.0000 172.7085 33 A 4.6915 7.7341 122.4422 49.9141 21.0501 177.7711 34 D 4.5881 8.9724 123.1730 56.5835 42.1010 176.2637 35 I 5.3097 7.3656 109.0756 57.9224 41.3556 175.1579 36 T 4.4999 8.4464 119.2520 63.2319 69.7076 173.9597 37 I 5.7790 8.8994 125.6846 58.3683 42.0678 173.7021 38 L 5.0093 8.1587 126.1523 54.2873 44.1993 174.9084 39 N 4.9203 8.6605 117.1699 52.9482 39.4816 176.4440 40 R 4.0183 8.8162 121.9533 59.4200 30.3295 179.1852 41 R 3.9727 8.8964 113.9662 58.5532 29.4104 176.9745 42 D 4.5466 7.9067 116.3902 54.0159 41.3649 175.6375 43 F 4.7079 7.8586 122.6633 56.3632 40.5180 174.6960 44 Q 3.9495 7.5983 127.1863 53.7813 29.4131 175.5288 45 V 2.9033 7.7882 123.7970 64.8099 33.0113 178.6693 46 K 3.7322 7.3138 115.7522 57.9397 31.5548 175.1921 47 N 4.8281 8.9397 124.0454 54.2035 38.4570 174.8662 48 S 4.8244 8.4058 116.3507 58.7184 64.4680 173.0848 49 I 4.7150 8.3247 123.1193 59.2368 39.5296 175.0081 50 E 3.6029 8.8586 127.5198 55.8923 30.3804 175.7246 51 N 4.8634 8.6234 124.8831 53.2881 39.7644 174.5220 52 G 3.7934 8.0736 103.8628 44.2826 0.0000 173.0848 53 R 4.9680 7.8646 116.6991 54.9470 32.3419 176.1927 54 Q 4.5241 9.0183 121.5319 54.7299 32.6672 173.3755 55 N 5.4855 8.8171 123.2342 52.2529 40.6915 174.0428 56 M 4.9684 8.9202 118.5167 53.9094 35.4634 173.7447 57 I 5.0000 8.3695 119.6096 59.8270 40.0575 175.0589 58 G 4.1929 9.0319 115.0076 44.0978 0.0000 173.1219 59 V 3.8446 8.2834 119.0869 63.0962 31.4608 175.6792 60 G 4.3569 8.8892 110.2842 45.1033 0.0000 174.1610 61 G 3.9531 6.6763 104.4689 45.5241 0.0000 171.7033 62 G 4.5277 8.6659 107.9706 44.6390 0.0000 172.5386 63 K 4.8773 8.7948 118.0316 54.8116 37.1700 175.3597 64 R 5.0470 8.6109 121.4541 54.7805 32.9843 174.4846 65 G 4.3384 9.1650 111.5225 45.1503 0.0000 170.7118 66 T 5.0553 8.5969 115.7615 61.7033 71.1028 174.1153 67 N 5.2008 9.2041 123.9474 52.7719 40.8013 173.8289 68 Y 5.1705 8.9822 119.0218 56.2680 42.6380 174.6155 69 I 4.7932 8.6497 116.1800 58.7980 41.5790 174.1889 70 N 4.6964 8.6035 117.0250 54.7795 36.9751 173.6297 71 V 4.5075 7.9599 117.1281 61.0811 33.9347 174.5597 72 H 4.3906 9.3131 125.3873 55.2613 29.8509 174.2145 73 L 5.2512 8.9124 124.0801 52.9417 44.3560 175.6707 74 E 4.9911 9.3621 125.5666 54.2960 32.2538 174.7309 75 I 4.1759 8.6480 128.5896 60.9901 38.2594 176.0482 76 R 4.9789 8.4290 126.1426 54.3439 30.2323 173.4891 77 D 4.9470 8.0590 122.0514 52.4433 44.5685 176.7054 78 E 4.0240 9.1538 122.3667 59.2839 29.6970 175.2912 79 N 4.5655 8.7595 114.1929 53.9924 38.8974 174.3255 80 Y 4.7341 7.6450 115.1893 55.3639 41.8907 175.0220 81 K 4.1370 8.5518 122.8259 56.5251 32.9679 176.3545 82 T 4.3035 8.2307 120.6879 61.9572 68.1791 173.6832 83 Q 4.4696 8.1474 126.2501 55.1090 33.3307 173.3616 *85 I 4.2765 8.3116 112.5162 61.8914 39.5402 174.3490 86 F 4.8970 8.9160 121.6293 56.4490 40.5142 175.6148 87 G 4.1243 9.0652 110.3743 44.6610 0.0000 170.7129 88 N 5.7611 8.9376 116.2744 51.8169 41.7189 174.7796 89 V 4.6619 8.5398 113.1538 59.9973 36.8674 173.5952 90 C 5.0817 9.0900 124.1822 57.6606 34.1884 172.5689 91 V 4.6836 8.8083 126.6836 61.3653 33.5657 174.3804 92 L 4.8330 8.5137 127.9536 53.3873 42.2293 177.6774 93 E 3.9994 9.0683 124.7390 58.6379 29.6765 177.5269 94 D 4.6402 8.1037 116.2467 52.4114 39.9170 175.6686 95 N 4.3715 7.9767 115.6796 54.6422 36.1565 174.7555 96 S 4.5012 7.8816 110.4928 58.3839 63.9220 174.2240 97 L 4.1515 8.1869 123.1755 54.8249 41.7616 177.3464 98 I 3.8967 8.3949 124.8745 64.0666 37.4579 176.2497 99 Q 4.5526 7.4648 118.1998 53.7285 32.0892 171.8727 100 P 4.6141 0.0000 0.0000 62.6266 32.9947 174.9929 101 L 5.2565 8.9362 123.3714 52.9478 44.7424 175.2019 102 L 4.1188 9.2435 127.2119 53.8722 43.4517 176.2890 103 G 4.2139 8.2695 114.8436 44.9953 0.0000 173.8758 104 R 4.0763 8.9944 118.7469 58.9586 29.6754 178.7802 105 D 4.3474 7.8225 118.7808 56.8254 38.7675 178.5185 106 N 4.3168 7.9354 116.4697 54.7585 39.0404 177.2267 107 M 4.2390 7.9361 120.3093 58.3108 31.9118 178.5963 108 I 3.6885 7.7597 120.0085 64.5748 37.1192 178.6958 109 K 3.9882 7.2069 114.8616 58.7254 31.8924 178.5007 110 F 4.6959 7.6661 115.3716 56.3693 39.9098 174.7330 111 N 4.1781 7.7389 115.8550 54.5217 37.4227 173.9484 112 I 4.3835 7.9788 117.9761 60.2901 38.7387 176.2091 113 R 4.7623 8.2199 122.1814 54.3796 34.0182 174.4674 114 L 4.6252 8.2755 119.4870 53.4758 43.2030 176.6357 115 V 4.4046 8.1214 121.0022 61.3182 34.4721 174.8286 116 M 4.2885 8.6775 125.2235 55.6834 32.2924 174.9550 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 6 T 8.16 4.28 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 0.81 0.00 0.00 7 T 8.38 4.45 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 1.21 0.00 0.00 8 T 8.22 4.51 4.33 0.00 0.00 0.00 0.00 0.00 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 9 T 8.39 4.31 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 L 8.21 4.65 0.00 1.73 1.71 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.21 4.05 0.00 2.08 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 0.00 2.28 2.28 0.00 12 K 7.13 4.70 0.00 1.76 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.37 7.81 13 R 8.51 3.88 0.00 1.81 1.91 0.00 3.21 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 P 0.00 4.59 0.00 2.16 2.27 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 15 E 8.74 5.30 0.00 1.88 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 2.35 2.29 0.00 16 I 8.49 4.72 1.56 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.05 0.81 0.00 0.00 17 L 9.33 4.88 0.00 1.77 1.60 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.87 5.04 2.29 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 1.14 0.00 0.00 19 F 9.88 4.64 0.00 3.00 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 20 V 9.25 4.60 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 1.25 0.00 0.00 1.28 0.00 0.00 21 N 10.00 4.50 0.00 2.89 2.85 0.00 0.00 7.19 7.22 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 22 G 8.89 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 23 Y 7.74 4.69 0.00 2.87 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 P 0.00 4.00 0.00 1.71 1.08 0.00 3.61 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 25 I 8.55 4.38 1.37 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.90 0.10 0.00 0.00 26 K 8.47 4.65 0.00 1.70 1.64 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.46 7.81 27 F 9.26 4.87 0.00 2.95 2.87 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 28 L 8.99 4.89 0.00 1.76 1.71 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.95 4.38 0.00 1.63 1.62 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.27 4.97 0.00 2.73 2.79 0.00 0.00 6.56 7.80 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 31 T 8.82 4.08 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 1.22 0.00 0.00 32 G 8.23 3.90 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 0.00 0.00 0.00 0.00 33 A 7.73 4.69 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 34 D 8.97 4.59 0.00 2.61 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 35 I 7.37 5.31 1.86 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 1.35 1.43 0.90 0.00 0.00 36 T 8.45 4.50 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 37 I 8.90 5.78 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 0.93 2.03 0.99 0.00 0.00 38 L 8.16 5.01 0.00 1.67 1.78 1.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.66 4.92 0.00 2.76 3.09 0.00 0.00 6.46 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 40 R 8.82 4.02 0.00 2.02 1.96 0.00 3.21 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 41 R 8.90 3.97 0.00 1.88 2.09 0.00 3.08 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 42 D 7.91 4.55 0.00 2.80 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 43 F 7.86 4.71 0.00 2.86 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 44 Q 7.60 3.95 0.00 1.73 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 45 V 7.79 2.90 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 1.14 0.00 0.00 0.70 0.00 0.00 46 K 7.31 3.73 0.00 1.81 0.79 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.33 1.34 7.81 47 N 8.94 4.83 0.00 2.81 2.94 0.00 0.00 6.81 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 48 S 8.41 4.82 0.00 4.09 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 49 I 8.32 4.72 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.96 0.00 0.00 50 E 8.86 3.60 0.00 1.85 1.71 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 1.93 1.82 0.00 51 N 8.62 4.86 0.00 2.63 2.61 0.00 0.00 7.43 7.76 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 52 G 8.07 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 53 R 7.86 4.97 0.00 1.68 1.84 0.00 3.38 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 54 Q 9.02 4.52 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 55 N 8.82 5.49 0.00 2.61 2.71 0.00 0.00 6.79 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 56 M 8.92 4.97 0.00 2.02 2.09 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 2.47 2.62 0.00 57 I 8.37 5.00 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 0.94 0.91 0.00 0.00 58 G 9.03 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 0.00 0.00 0.00 0.00 59 V 8.28 3.84 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 0.82 0.00 0.00 0.93 0.00 0.00 60 G 8.89 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 0.00 0.00 0.00 0.00 61 G 6.68 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 0.00 0.00 0.00 62 G 8.67 4.53 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 0.00 63 K 8.79 4.88 0.00 1.65 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.53 7.81 64 R 8.61 5.05 0.00 1.77 1.75 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 65 G 9.17 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.60 5.06 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 1.02 0.00 0.00 67 N 9.20 5.20 0.00 2.49 2.66 0.00 0.00 6.40 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 68 Y 8.98 5.17 0.00 2.83 2.95 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 69 I 8.65 4.79 1.92 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 1.26 0.82 0.99 0.00 0.00 70 N 8.60 4.70 0.00 2.96 3.08 0.00 0.00 6.83 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 71 V 7.96 4.51 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 1.25 0.00 0.00 1.17 0.00 0.00 72 H 9.31 4.39 0.00 3.11 3.04 0.00 5.80 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 73 L 8.91 5.25 0.00 1.53 1.84 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.36 4.99 0.00 2.02 1.84 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 2.16 2.43 0.00 75 I 8.65 4.18 1.87 0.00 0.00 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 0.53 0.30 0.87 0.00 0.00 76 R 8.43 4.98 0.00 1.73 1.88 0.00 3.22 0.00 0.00 3.06 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.00 77 D 8.06 4.95 0.00 2.87 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 78 E 9.15 4.02 0.00 2.02 1.87 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 2.24 1.92 0.00 79 N 8.76 4.57 0.00 2.68 2.47 0.00 0.00 6.83 7.05 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 80 Y 7.65 4.73 0.00 2.90 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 81 K 8.55 4.14 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 82 T 8.23 4.30 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 1.22 0.00 0.00 83 Q 8.15 4.47 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.37 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 *85 I 8.31 4.28 1.71 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.80 0.68 0.00 0.00 86 F 8.92 4.90 0.00 2.83 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 87 G 9.07 4.12 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 0.00 0.00 0.00 88 N 8.94 5.76 0.00 2.57 2.72 0.00 0.00 6.53 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 89 V 8.54 4.66 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 0.74 0.00 0.00 0.46 0.00 0.00 90 C 9.09 5.08 0.00 2.98 2.82 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 91 V 8.81 4.68 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 0.96 0.00 0.00 0.38 0.00 0.00 92 L 8.51 4.83 0.00 1.65 1.78 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.07 4.00 0.00 1.97 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 0.00 2.34 2.27 0.00 94 D 8.10 4.64 0.00 2.78 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 95 N 7.98 4.37 0.00 2.84 2.90 0.00 0.00 6.99 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 96 S 7.88 4.50 0.00 3.94 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 97 L 8.19 4.15 0.00 1.96 1.65 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.39 3.90 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 1.30 0.74 0.91 0.00 0.00 99 Q 7.46 4.55 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 100 P 0.00 4.61 0.00 1.58 1.54 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 101 L 8.94 5.26 0.00 1.65 1.60 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.24 4.12 0.00 1.35 1.44 0.40 0.75 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 0.00 103 G 8.27 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 0.00 0.00 0.00 0.00 104 R 8.99 4.08 0.00 1.82 1.99 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 105 D 7.82 4.35 0.00 2.83 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 0.00 106 N 7.94 4.32 0.00 2.66 2.74 0.00 0.00 7.09 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 0.00 107 M 7.94 4.24 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 108 I 7.76 3.69 1.83 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 1.52 1.44 0.89 0.00 0.00 109 K 7.21 3.99 0.00 1.54 1.60 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.51 7.81 110 F 7.67 4.70 0.00 3.17 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 0.00 111 N 7.74 4.18 0.00 2.87 2.93 0.00 0.00 7.10 9.25 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 0.00 112 I 7.98 4.38 1.92 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 1.33 0.77 0.94 0.00 0.00 113 R 8.22 4.76 0.00 1.76 1.79 0.00 3.21 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 114 L 8.28 4.63 0.00 1.64 1.59 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.12 4.40 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 116 M 8.68 4.29 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.