NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.5840 8.6698 120.9164 56.0867 31.1477 176.2922 7 F 4.7159 8.3220 111.1131 56.8516 41.8997 171.5651 8 E 3.6980 7.3728 121.6720 56.1034 30.7929 176.6134 9 K 4.9678 8.5653 128.5663 54.6062 34.2915 175.1416 10 V 4.3449 9.5563 127.8071 60.9716 34.5765 173.7023 11 E 4.5128 8.7789 129.1469 55.3647 29.5412 175.6098 12 L 4.4605 8.7647 127.9498 55.8284 42.6035 177.4550 13 T 4.5530 7.5263 108.5812 59.1358 71.6908 174.5332 14 A 3.9282 8.8648 127.2169 55.3794 18.3846 178.1332 15 D 4.4999 8.1062 112.2619 53.4575 40.0322 177.1469 16 G 3.8827 8.3828 108.5290 46.1183 0.0000 175.1155 17 G 4.2455 8.4391 109.3430 47.2416 0.0000 173.9830 18 V 4.7962 7.6569 119.8904 61.1551 34.6642 174.4078 19 I 4.8814 8.5825 128.9384 59.3059 40.0678 174.5307 20 K 5.0072 9.4389 128.8125 54.8644 35.1181 174.8659 21 T 4.8937 8.8974 123.1905 61.6081 71.4350 173.3525 22 I 4.0796 8.8291 129.2814 61.3935 37.3422 177.0284 23 L 4.3658 8.9060 128.4949 56.4656 42.9012 177.6418 24 K 4.5684 7.6761 119.9293 54.7772 35.5751 175.3695 25 K 4.3652 8.8528 127.7056 56.5507 32.8093 177.4371 26 G 4.0180 8.4760 111.9158 45.2475 0.0000 172.4674 27 D 4.7124 8.9354 120.5859 54.0226 41.1534 177.3791 28 E 4.1369 8.7016 122.5919 56.2948 30.5067 176.5429 29 G 4.1406 8.6466 107.7158 44.9654 0.0000 174.9279 30 E 4.0089 8.8780 122.4767 58.5438 29.9569 178.1016 31 E 4.3409 8.2043 114.3644 57.6541 30.0155 176.6522 32 N 5.0764 8.0820 117.0959 53.1464 39.0433 173.7504 33 I 4.5228 7.4261 120.0525 58.3973 38.9472 174.0272 34 P 3.0741 0.0000 0.0000 62.0161 32.0209 175.6974 35 K 4.5329 7.8498 118.7017 53.7658 35.1257 175.5175 36 K 4.0378 8.4331 121.7547 58.5460 32.3005 176.8360 37 G 4.0862 9.1423 114.2931 45.5012 0.0000 173.8082 38 N 4.6284 7.9188 117.3091 53.3145 40.1189 173.8719 39 E 4.3507 8.9848 123.8395 55.5422 31.0493 175.2510 40 V 4.8059 8.5658 127.2454 61.3401 34.7261 174.2083 41 T 5.1372 9.0502 123.1171 62.0157 71.5499 173.6839 42 V 4.9981 9.1847 118.6646 60.5275 37.2821 173.3949 43 H 5.3898 8.9979 117.7138 54.5767 32.3804 172.8693 44 Y 6.0655 8.5009 118.4565 56.3160 42.2126 173.7127 45 V 4.7743 8.8357 119.1059 61.2955 35.1339 173.9277 46 G 3.9076 9.2648 115.3747 44.0178 0.0000 171.9067 47 K 5.0311 8.4463 121.8615 54.9531 36.9021 174.9910 48 L 4.6092 8.6303 121.5308 54.0147 42.3279 177.8704 49 E 3.9407 8.8947 125.7674 59.1845 30.0119 178.1761 50 S 4.2968 8.2978 112.7149 61.0162 63.0169 175.0587 51 T 4.2227 7.9160 108.5588 60.4634 69.7087 175.6016 52 G 3.8852 8.7714 109.7414 45.4081 0.0000 172.9290 53 K 4.4448 7.5789 121.7094 54.8079 33.9516 175.9541 54 V 4.1664 8.4208 127.6532 63.1268 31.4818 175.3599 55 F 4.8749 8.1222 122.8235 57.4905 39.5718 174.9646 56 D 4.5507 7.0871 116.7364 54.1070 44.5788 174.0303 57 S 4.4808 8.1715 114.9101 57.2128 66.0329 176.3324 58 S 4.0392 7.3853 120.4833 60.5204 62.9434 176.0053 59 F 4.5635 7.5189 118.9689 59.2649 39.0308 176.4645 60 D 4.5311 8.0081 121.1242 56.4769 40.6330 177.3411 61 R 4.3397 7.8693 112.5144 54.9426 31.0655 174.9831 62 N 4.1866 7.9435 116.4892 54.8710 37.5570 174.8254 63 V 4.3513 7.5236 115.9484 59.9811 33.9637 172.6878 64 P 4.2939 0.0000 0.0000 63.1055 31.9788 175.4178 65 F 4.9840 9.3930 125.1526 57.5278 40.8455 174.3907 66 K 5.4989 8.3633 124.7178 53.9347 34.8094 175.1027 67 F 4.6788 7.7901 116.8303 56.3941 41.3660 172.0656 68 H 4.9938 8.6034 117.4062 53.8807 30.0707 175.1948 69 L 4.1609 8.4969 126.5309 55.4299 42.8890 176.7720 70 E 4.0160 9.7567 126.6538 58.3789 27.1129 174.7657 71 Q 4.4592 7.7904 111.9309 55.1379 31.0334 176.8809 72 G 3.9476 7.8767 103.3804 46.1084 0.0000 174.9543 73 E 4.1920 8.1705 119.9013 57.7914 29.8999 176.8236 74 V 4.3446 7.2494 110.0272 58.3782 35.7455 175.0456 75 I 3.5613 7.6474 114.1532 60.9657 37.9496 176.6956 76 K 3.9415 8.9450 123.5434 60.1325 31.8599 179.0799 77 G 3.8350 8.6453 105.9989 47.7443 0.0000 175.7211 78 W 3.9573 8.3395 121.0390 59.6770 29.1150 178.3747 79 D 4.5841 8.2169 118.4015 57.4989 40.0883 178.8306 80 I 3.7070 7.6603 119.3447 64.3593 37.4228 177.8727 81 C 4.1393 8.0339 119.4520 62.5968 31.5174 175.7872 82 V 3.5648 8.0735 120.4959 65.8463 30.9072 177.8303 83 S 4.2377 8.0223 112.8378 60.0737 62.8841 174.8409 84 S 4.5322 7.6001 115.7822 58.2357 63.3069 173.8803 85 M 4.6241 7.5658 120.8534 54.4741 33.5338 175.4643 86 R 4.7933 8.1235 118.5209 53.6840 33.1965 175.8510 87 K 4.0356 8.7013 121.9277 58.6727 32.4707 177.0600 88 N 4.4883 9.4784 121.8094 53.6572 36.9392 173.8724 89 E 4.4788 8.1566 120.3329 55.8896 31.2210 175.4266 90 K 5.3230 8.8728 125.1136 54.8242 35.3428 175.0173 91 C 5.2232 9.2580 118.5973 56.8135 34.1820 172.2357 92 L 5.2940 9.0004 121.8074 53.1742 44.3698 175.2701 93 V 4.9153 9.3991 126.2480 59.8746 34.6730 174.3351 94 R 4.9366 9.1632 125.3886 54.9301 31.8555 174.6918 95 I 4.9806 9.0608 127.9421 59.5448 39.8943 175.3038 96 E 4.6252 9.3352 127.6669 55.7240 30.6475 178.2736 97 S 4.0932 8.2552 114.9958 62.0011 63.0545 176.5746 98 M 3.8819 8.2582 119.1138 58.0607 31.9307 176.1000 99 Y 4.5661 8.6370 114.1456 57.6188 39.5454 175.7873 100 G 4.2949 7.9264 109.4448 46.3043 0.0000 174.0990 101 Y 4.5161 8.9481 122.9035 56.2876 38.9168 176.2010 102 G 4.0210 7.8508 109.8794 47.1960 0.0000 175.9791 103 D 4.7429 8.5078 118.6376 56.5800 41.5006 178.5237 104 E 3.7960 8.2294 118.3736 57.7928 29.7065 177.8793 105 G 3.7957 8.7988 106.1252 44.6778 0.0000 171.5071 106 C 4.2728 8.3510 118.2476 58.2918 34.5742 174.0966 107 G 3.6872 8.4350 117.0559 47.1795 0.0000 173.3952 108 E 4.5377 8.6870 123.8727 56.1136 30.2488 176.5610 109 S 4.2591 7.7864 114.9772 59.1191 64.2125 173.7083 110 I 4.2521 7.3324 122.0098 58.2178 39.0087 173.8945 111 P 4.6182 0.0000 0.0000 62.0298 32.2032 176.5231 112 G 3.7771 8.4535 107.4872 46.0864 0.0000 172.4587 113 N 4.3473 8.8030 116.0367 54.2348 35.7375 174.5458 114 S 4.7796 7.8861 112.7610 57.2073 65.4539 173.7679 115 V 4.4688 8.3375 123.9258 62.0244 33.1554 174.4554 116 L 5.1326 9.3924 127.7983 53.0227 44.9433 175.3248 117 L 5.2870 8.6893 121.5561 53.1158 44.9072 175.6341 118 F 5.5274 9.3484 122.1658 55.7085 43.4214 173.7875 119 E 5.1299 9.3777 121.8833 54.8079 31.8405 175.0735 120 I 5.1215 8.9731 125.5728 59.3210 41.2931 174.2182 121 E 4.9645 9.0515 126.7770 54.2923 32.3939 174.7083 122 L 4.2057 8.7085 130.8360 54.6369 42.0876 177.1544 123 L 4.1978 8.8175 128.1531 57.0684 42.5030 177.2815 124 S 4.7591 7.7958 111.2955 58.5505 65.6157 174.9700 125 F 5.3682 7.8958 114.4445 56.4494 40.6539 173.1693 126 R 4.5263 8.6351 113.2492 55.1492 32.6562 173.8878 127 E 4.4409 8.7394 121.9288 56.0059 30.4703 176.4850 128 L 4.1700 8.4766 128.0980 54.9206 42.8643 177.5737 *129 E 4.1515 8.4909 114.9038 56.3637 30.3597 176.2098 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 E 8.67 4.58 0.00 2.03 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 0.00 2.26 2.32 0.00 7 F 8.32 4.72 0.00 3.14 2.96 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 8 E 7.37 3.70 0.00 1.42 1.55 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 2.22 2.13 0.00 9 K 8.57 4.97 0.00 1.77 1.65 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.38 7.81 10 V 9.56 4.34 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 0.84 0.00 0.00 0.86 0.00 0.00 11 E 8.78 4.51 0.00 1.99 1.82 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 2.35 2.29 0.00 12 L 8.76 4.46 0.00 1.55 1.61 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.53 4.55 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 0.80 0.00 0.00 14 A 8.86 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.50 0.00 2.84 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 16 G 8.38 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 17 G 8.44 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 0.00 0.00 0.00 0.00 18 V 7.66 4.80 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 0.94 0.00 0.00 0.37 0.00 0.00 19 I 8.58 4.88 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 1.08 0.47 0.93 0.00 0.00 20 K 9.44 5.01 0.00 1.70 1.56 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.32 7.81 21 T 8.90 4.89 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 1.26 0.00 0.00 22 I 8.83 4.08 1.71 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 1.16 0.76 0.93 0.00 0.00 23 L 8.91 4.37 0.00 1.54 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.68 4.57 0.00 1.82 1.63 0.00 1.75 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 K 8.85 4.37 0.00 1.70 1.73 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 26 G 8.48 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 27 D 8.94 4.71 0.00 2.55 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 28 E 8.70 4.14 0.00 1.96 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 2.32 2.26 0.00 29 G 8.65 4.14 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 0.00 30 E 8.88 4.01 0.00 2.02 1.97 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 2.39 2.30 0.00 31 E 8.20 4.34 0.00 2.14 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 0.00 2.29 2.27 0.00 32 N 8.08 5.08 0.00 2.96 2.95 0.00 0.00 6.76 8.22 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 33 I 7.43 4.52 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 1.31 0.57 0.79 0.00 0.00 34 P 0.00 3.07 0.00 1.71 1.06 0.00 3.52 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 35 K 7.85 4.53 0.00 1.73 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.32 7.81 36 K 8.43 4.04 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 37 G 9.14 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 38 N 7.92 4.63 0.00 2.77 2.78 0.00 0.00 6.44 7.17 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 39 E 8.98 4.35 0.00 1.93 1.73 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 0.00 2.06 1.95 0.00 40 V 8.57 4.81 1.19 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 0.89 0.00 0.00 0.63 0.00 0.00 41 T 9.05 5.14 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 1.20 0.00 0.00 42 V 9.18 5.00 2.36 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 0.90 0.00 0.00 1.59 0.00 0.00 43 H 9.00 5.39 0.00 3.18 2.71 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.50 6.07 0.00 3.47 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 45 V 8.84 4.77 2.19 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 0.97 0.00 0.00 1.11 0.00 0.00 46 G 9.26 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 0.00 0.00 0.00 47 K 8.45 5.03 0.00 1.81 1.72 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 48 L 8.63 4.61 0.00 1.74 1.67 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.89 3.94 0.00 1.98 2.01 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 2.34 2.27 0.00 50 S 8.30 4.30 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.22 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 1.22 0.00 0.00 52 G 8.77 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.58 4.44 0.00 1.84 1.72 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 54 V 8.42 4.17 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 0.80 0.00 0.00 0.88 0.00 0.00 55 F 8.12 4.87 0.00 3.00 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 56 D 7.09 4.55 0.00 3.04 2.67 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 57 S 8.17 4.48 0.00 3.78 3.73 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 0.00 0.00 0.00 0.00 58 S 7.39 4.04 0.00 4.13 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 59 F 7.52 4.56 0.00 3.03 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 60 D 8.01 4.53 0.00 2.69 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 61 R 7.87 4.34 0.00 1.92 2.05 0.00 3.23 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 62 N 7.94 4.19 0.00 2.95 2.95 0.00 0.00 6.84 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 63 V 7.52 4.35 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 0.98 0.00 0.00 1.00 0.00 0.00 64 P 0.00 4.29 0.00 2.06 1.81 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 F 9.39 4.98 0.00 3.38 3.33 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 0.00 66 K 8.36 5.50 0.00 1.50 1.49 0.00 1.86 0.00 0.00 2.51 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.19 7.81 67 F 7.79 4.68 0.00 3.13 2.46 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 68 H 8.60 4.99 0.00 3.13 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.50 4.16 0.00 1.54 1.45 1.08 0.59 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 70 E 9.76 4.02 0.00 2.13 2.01 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 2.30 2.32 0.00 71 Q 7.79 4.46 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 72 G 7.88 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 73 E 8.17 4.19 0.00 2.13 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 0.00 2.38 2.39 0.00 74 V 7.25 4.34 1.53 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 0.10 0.00 0.00 0.83 0.00 0.00 75 I 7.65 3.56 1.76 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 0.87 0.61 0.03 0.00 0.00 76 K 8.95 3.94 0.00 1.85 1.98 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.77 1.62 7.81 77 G 8.65 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 78 W 8.34 3.96 0.00 3.28 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 79 D 8.22 4.58 0.00 2.90 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 80 I 7.66 3.71 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.84 0.00 0.00 81 C 8.03 4.14 0.00 2.94 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 82 V 8.07 3.56 2.34 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 1.03 0.00 0.00 0.94 0.00 0.00 83 S 8.02 4.24 0.00 4.05 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 84 S 7.60 4.53 0.00 3.95 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 85 M 7.57 4.62 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 86 R 8.12 4.79 0.00 1.86 1.97 0.00 3.14 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 87 K 8.70 4.04 0.00 1.99 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.52 7.81 88 N 9.48 4.49 0.00 2.92 2.99 0.00 0.00 6.98 8.02 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 89 E 8.16 4.48 0.00 2.13 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 2.28 2.45 0.00 90 K 8.87 5.32 0.00 1.75 1.69 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 91 C 9.26 5.22 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.00 5.29 0.00 1.76 1.54 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.40 4.92 2.01 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 0.71 0.00 0.00 0.96 0.00 0.00 94 R 9.16 4.94 0.00 1.88 1.85 0.00 3.05 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 95 I 9.06 4.98 2.10 0.00 0.00 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 1.31 1.00 1.07 0.00 0.00 96 E 9.34 4.63 0.00 2.08 1.95 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 2.38 2.45 0.00 97 S 8.26 4.09 0.00 4.00 4.31 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 98 M 8.26 3.88 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.98 0.00 99 Y 8.64 4.57 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 101 Y 8.95 4.52 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 0.00 102 G 7.85 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 0.00 103 D 8.51 4.74 0.00 2.72 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 0.00 104 E 8.23 3.80 0.00 1.97 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 2.32 2.37 0.00 105 G 8.80 3.80 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 0.00 106 C 8.35 4.27 0.00 1.23 1.77 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 0.00 107 G 8.44 3.69 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 0.00 108 E 8.69 4.54 0.00 1.89 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 2.16 2.20 0.00 109 S 7.79 4.26 0.00 3.79 3.89 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 0.00 0.00 0.00 110 I 7.33 4.25 1.51 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.40 0.82 0.00 0.00 111 P 0.00 4.62 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 112 G 8.45 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 0.00 0.00 0.00 113 N 8.80 4.35 0.00 2.83 2.92 0.00 0.00 6.90 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.89 4.78 0.00 3.82 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 0.00 115 V 8.34 4.47 2.18 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 1.14 0.00 0.00 0.97 0.00 0.00 116 L 9.39 5.13 0.00 1.84 1.61 1.34 0.46 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 0.00 117 L 8.69 5.29 0.00 1.64 1.53 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.35 5.53 0.00 2.98 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 0.00 119 E 9.38 5.13 0.00 2.02 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 0.00 2.28 2.31 0.00 120 I 8.97 5.12 1.65 0.00 0.00 -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 0.66 0.67 0.69 0.00 0.00 121 E 9.05 4.96 0.00 2.13 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 2.28 2.29 0.00 122 L 8.71 4.21 0.00 1.84 1.60 1.04 0.39 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 0.00 123 L 8.82 4.20 0.00 1.72 1.74 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.80 4.76 0.00 3.70 3.89 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 0.00 0.00 0.00 125 F 7.90 5.37 0.00 3.02 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 0.00 126 R 8.64 4.53 0.00 1.82 1.92 0.00 2.73 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 127 E 8.74 4.44 0.00 2.01 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 2.30 2.41 0.00 128 L 8.48 4.17 0.00 1.69 1.60 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *129 E 8.49 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.