NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2817 8.0549 120.6743 62.7298 32.9782 174.1934 3 K 4.4867 8.9664 126.9085 53.7930 34.5445 170.1565 4 V 4.3551 8.2605 125.3872 62.4611 32.8179 174.7205 5 T 4.5241 9.1766 117.4229 59.8910 72.6749 173.5613 6 Y 5.2894 7.9629 117.1937 57.3088 38.2925 175.9410 7 D 4.5842 7.8408 120.0169 54.0137 41.5491 176.3692 8 I 3.9859 8.0489 123.7813 60.1872 37.8934 174.4908 9 P 4.6823 0.0000 0.0000 61.9793 32.4476 176.3919 10 T 4.1779 8.1559 109.2976 61.5878 70.6696 175.1950 11 C 4.1502 8.4979 119.4341 62.8645 28.2241 175.8870 12 E 3.9443 8.1784 120.3966 59.5022 29.2184 178.5366 13 D 4.3310 8.0767 118.7105 57.3811 40.8940 177.8695 14 Y 4.0591 8.2421 120.2283 61.1222 38.8899 178.1849 15 C 3.9577 8.5296 117.3684 62.8278 28.2272 176.0956 16 A 3.9779 8.0685 122.3164 54.8826 17.9280 179.4822 17 L 3.7727 8.1859 119.3649 58.1513 41.9231 179.2049 18 R 3.7507 7.3082 116.9087 59.4516 30.3014 178.6674 19 I 3.7797 7.4237 118.8027 64.4916 36.8743 178.0643 20 N 4.2896 8.1299 116.5446 56.1861 38.8116 175.7834 21 A 4.4637 7.8462 119.6970 50.6351 19.9111 176.2346 22 G 3.5345 7.6282 110.3377 45.7443 0.0000 172.9990 *24 S 4.1937 7.8498 116.4668 57.5098 64.4709 173.2975 25 P 4.4657 0.0000 0.0000 62.4878 31.8449 175.8396 26 K 4.7284 8.1178 119.0839 54.2161 35.6265 177.2391 27 T 4.2426 8.2449 112.7043 61.4639 71.0628 175.9614 28 R 3.9753 8.5019 121.0058 59.3426 30.0814 178.9312 29 E 4.0581 8.1904 118.4797 59.2881 29.7404 178.5463 30 A 3.9692 8.1942 120.5689 55.1038 18.3382 179.5172 31 A 3.7301 8.0690 119.2725 55.2612 18.2489 179.5674 32 E 3.8512 8.3867 116.3848 59.7045 29.6098 179.5781 33 K 4.2001 7.9659 117.5275 58.6892 32.4243 178.9102 34 G 3.7799 7.8056 105.3202 46.2816 0.0000 175.8122 35 L 3.7813 7.7560 120.6928 57.2859 41.6656 176.9272 36 P 4.4007 0.0000 0.0000 64.1336 31.4279 176.4931 37 N 4.8834 7.9867 115.0999 52.7231 39.0215 174.5733 38 A 4.3848 7.7500 120.6095 51.5506 19.5193 178.5963 39 L 4.2874 8.6003 120.8901 57.7055 42.5002 177.7346 40 F 4.6222 7.6133 118.8188 57.1479 42.8109 173.1862 41 T 4.8475 7.1729 120.5017 61.5966 72.5995 172.7550 42 V 4.7522 8.5145 125.7122 61.1703 34.3465 174.7519 43 T 4.7980 9.0992 117.4381 59.8608 72.1640 172.4756 44 L 5.1834 8.7114 124.7326 53.2604 44.3195 174.9726 45 Y 4.8661 8.9354 120.9395 56.0606 41.8416 174.2583 46 D 5.0029 8.9899 123.6945 52.6592 43.1383 177.9206 47 K 3.7349 8.9315 128.4500 58.0813 31.1506 176.2726 48 D 4.7408 9.1637 126.0335 54.7777 41.4508 175.4635 49 R 4.3404 7.9904 121.6979 54.6446 30.9470 175.1409 50 L 3.5607 8.4201 127.8463 54.6681 42.4806 176.0995 51 I 3.8581 7.8882 119.2023 60.6567 39.1863 174.7788 52 G 4.5572 7.0447 106.9791 45.4801 0.0000 172.2226 *54 G 4.2196 8.3031 105.8425 46.3576 0.0000 172.2652 55 R 5.2957 8.8423 119.6861 54.2930 35.4130 174.2050 56 V 5.0709 8.6374 120.0995 61.2450 34.8714 174.5408 57 I 4.8531 9.6452 120.5049 58.5447 41.1200 175.0901 58 G 4.2226 7.5389 107.5515 46.4471 0.0000 172.0622 59 D 4.7479 7.6050 119.3776 52.5767 39.5761 177.5929 60 G 4.1686 8.4964 106.4065 46.2969 0.0000 173.6969 61 G 4.3926 7.7284 107.0849 46.6710 0.0000 174.5545 62 T 4.6145 8.5563 117.3227 64.0398 71.1341 175.2353 63 V 5.1948 7.2617 119.0092 60.5766 34.8023 173.3869 64 F 5.3275 9.5451 121.4972 55.8106 43.7621 173.3933 65 Q 5.2100 9.1135 122.0815 54.4845 32.0429 174.1889 66 I 4.7264 8.4272 127.4567 60.8587 38.2303 175.6482 67 V 4.4313 8.6189 119.1517 59.6825 36.3690 174.7940 68 D 4.4758 8.6665 118.0490 55.4588 38.2025 174.1880 69 I 3.9610 7.8880 119.9741 61.0054 37.0370 175.6665 70 A 4.6240 8.2361 127.9938 50.2552 22.0127 174.7583 71 V 4.7920 8.0479 121.1938 60.3567 34.7732 175.1847 72 L 4.0059 8.3445 126.5983 54.9335 42.4636 178.0296 73 K 3.9629 9.0247 124.0096 59.8075 32.0367 178.7610 74 S 4.2875 8.1474 110.4744 60.2987 63.1073 173.9577 75 Y 4.5162 8.0494 117.8002 57.7956 38.4010 176.0003 76 Q 4.2070 7.8472 119.8446 56.9067 29.3124 175.8648 77 G 3.9003 8.8396 107.6208 47.0240 0.0000 174.0722 78 Q 4.3023 8.3068 113.9488 54.8704 30.6724 176.0229 79 A 3.9461 8.1048 121.0844 52.1062 16.7729 180.1117 80 Y 4.3801 7.6942 113.9724 60.7331 37.7700 178.0374 81 G 3.6921 8.1860 105.4969 48.1344 0.0000 175.4476 82 S 4.5632 8.0545 116.0230 61.0754 63.0786 176.0282 83 L 4.2921 8.1375 123.2610 58.1901 41.8738 179.3763 84 I 3.8748 7.7746 115.4990 62.6538 36.5500 177.4517 *86 E 4.5134 7.9871 120.6376 56.9777 31.4606 177.1602 87 H 4.4585 8.1158 115.8484 58.9994 29.1529 178.2674 88 I 3.8264 8.0242 116.9100 62.1677 34.9705 177.9043 *90 K 4.1713 8.1627 122.1381 56.7556 34.1447 177.6230 91 Y 3.7061 7.7351 119.0054 60.6819 38.5297 178.2321 92 I 2.9602 7.5425 120.5840 64.0826 36.9306 178.6776 93 K 4.0695 7.0876 116.9922 59.0850 31.8756 178.7238 94 N 4.3789 7.4758 115.8201 54.8048 37.4054 176.1865 95 V 4.0561 6.8739 112.7210 62.1604 33.5423 176.6488 96 S 4.3773 7.9692 115.1589 58.5821 63.3305 173.3782 97 V 4.5577 7.8688 114.7269 59.0624 35.5319 174.7479 98 E 4.2297 8.5008 120.3623 58.4002 29.4230 177.9093 99 S 4.4579 8.9375 117.7408 57.6050 61.8434 169.3384 100 V 3.9652 7.4162 121.2201 63.7383 31.9109 174.4078 101 Y 4.8817 9.0082 128.3008 55.8135 41.4538 174.2957 102 V 5.1341 7.9213 125.2928 61.2544 34.6467 174.2775 103 S 4.9911 8.9793 121.2713 57.1561 67.1930 172.0588 104 L 4.6609 8.1612 118.4499 55.0712 43.1174 174.6530 105 I 4.2205 8.1614 120.1507 59.4807 38.4372 175.1016 106 A 4.7927 8.2861 128.5648 49.9662 20.8355 175.9433 107 D 4.5678 8.5477 123.2935 54.0590 42.0042 176.9739 108 Y 4.3780 8.7656 121.2037 60.3054 37.4347 177.3147 109 P 4.2650 0.0000 0.0000 64.5782 31.6446 177.6788 110 A 4.0294 8.2001 119.0929 53.4449 18.3293 178.9160 111 D 4.4816 7.9988 118.0935 57.2828 40.6942 178.4788 112 K 3.8432 8.0630 118.4525 59.5353 32.2901 178.0213 113 L 4.0803 7.6018 119.7068 58.5715 42.1573 178.4901 114 Y 4.4926 7.3646 116.4487 60.9714 37.7401 178.3542 115 V 3.9499 8.4000 119.7933 66.1912 31.3486 178.1173 116 K 3.9071 7.8905 116.8766 58.7414 31.8603 177.6057 117 F 4.4215 8.3135 115.4526 57.1566 39.1089 176.5973 118 G 3.9057 8.3272 109.3867 45.1306 0.0000 174.0998 119 F 4.0881 7.8216 117.9861 56.2517 40.1051 172.4665 *121 P 4.3247 0.0000 0.0000 62.8389 32.3077 177.3889 122 T 4.1523 8.3689 111.1619 64.4184 69.3265 175.0553 123 E 4.4610 8.0012 120.5843 55.5949 29.9781 175.0759 124 P 4.5320 0.0000 0.0000 64.3949 32.1842 177.2161 125 D 4.5415 8.1279 119.1823 57.1233 40.9590 176.3772 126 S 4.7294 7.9562 110.8393 56.9014 66.0503 173.4309 127 G 4.2008 8.3034 109.3342 43.3920 0.0000 172.8327 128 G 3.7535 8.4335 110.4322 45.0093 0.0000 171.9730 *130 Y 4.5814 7.9286 116.9407 56.6953 38.8807 174.1142 131 I 4.3900 8.0189 112.0398 58.8649 40.7380 174.6114 132 K 4.7641 8.2642 120.2069 54.9742 35.0711 176.0710 133 Y 4.0832 8.8963 119.4701 58.2721 37.9668 175.4127 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 2 V 8.05 4.28 2.26 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 0.88 0.00 0.00 0.71 0.00 0.00 3 K 8.97 4.49 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.60 7.81 4 V 8.26 4.36 2.03 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 0.62 0.00 0.00 0.99 0.00 0.00 5 T 9.18 4.52 4.18 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 1.20 0.00 0.00 6 Y 7.96 5.29 0.00 2.93 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 7 D 7.84 4.58 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.99 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.42 0.89 0.00 0.00 9 P 0.00 4.68 0.00 2.25 2.11 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 10 T 8.16 4.18 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 11 C 8.50 4.15 0.00 3.00 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 12 E 8.18 3.94 0.00 2.05 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 2.42 0.00 13 D 8.08 4.33 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 4.06 0.00 3.00 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 15 C 8.53 3.96 0.00 3.20 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 16 A 8.07 3.98 1.36 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 17 L 8.19 3.77 0.00 1.69 1.69 0.78 0.69 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 18 R 7.31 3.75 0.00 1.79 1.81 0.00 2.66 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.00 19 I 7.42 3.78 1.95 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 1.51 0.84 0.88 0.00 0.00 20 N 8.13 4.29 0.00 2.82 2.86 0.00 0.00 7.23 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 21 A 7.85 4.46 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 22 G 7.63 3.53 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 *24 S 7.85 4.19 0.00 4.02 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 25 P 0.00 4.47 0.00 2.07 2.01 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 26 K 8.12 4.73 0.00 1.84 1.82 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.57 7.81 27 T 8.24 4.24 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 1.24 0.00 0.00 28 R 8.50 3.98 0.00 1.94 2.04 0.00 3.20 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 29 E 8.19 4.06 0.00 2.03 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 2.37 2.37 0.00 30 A 8.19 3.97 1.36 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 31 A 8.07 3.73 1.37 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 0.00 0.00 32 E 8.39 3.85 0.00 2.06 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 2.33 2.43 0.00 33 K 7.97 4.20 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 34 G 7.81 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 35 L 7.76 3.78 0.00 1.54 1.60 0.74 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.40 0.00 2.00 2.06 0.00 3.51 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 1.98 2.05 0.00 37 N 7.99 4.88 0.00 2.65 2.76 0.00 0.00 6.92 6.91 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 38 A 7.75 4.38 1.21 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 39 L 8.60 4.29 0.00 1.75 1.91 1.28 1.02 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 40 F 7.61 4.62 0.00 1.63 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 41 T 7.17 4.85 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 1.11 0.00 0.00 42 V 8.51 4.75 2.07 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 0.87 0.00 0.00 0.92 0.00 0.00 43 T 9.10 4.80 4.13 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 1.27 0.00 0.00 44 L 8.71 5.18 0.00 1.31 1.42 0.96 0.66 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 45 Y 8.94 4.87 0.00 2.81 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 46 D 8.99 5.00 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 3.73 0.00 1.95 1.05 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.47 7.81 48 D 9.16 4.74 0.00 2.67 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 49 R 7.99 4.34 0.00 1.87 1.93 0.00 3.09 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 50 L 8.42 3.56 0.00 1.27 1.36 0.39 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.89 3.86 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.12 0.27 0.00 0.00 52 G 7.04 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 G 8.30 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 0.00 0.00 0.00 0.00 55 R 8.84 5.30 0.00 1.73 1.75 0.00 3.14 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 56 V 8.64 5.07 2.15 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 1.43 0.00 0.00 1.05 0.00 0.00 57 I 9.65 4.85 1.90 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 1.32 0.65 0.94 0.00 0.00 58 G 7.54 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 0.00 0.00 0.00 0.00 59 D 7.60 4.75 0.00 2.71 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 60 G 8.50 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.73 4.39 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 62 T 8.56 4.61 4.46 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 1.23 0.00 0.00 63 V 7.26 5.19 2.11 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 0.67 0.00 0.00 1.07 0.00 0.00 64 F 9.55 5.33 0.00 3.01 3.04 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 0.00 0.00 0.00 65 Q 9.11 5.21 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 66 I 8.43 4.73 1.64 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 1.26 0.72 0.87 0.00 0.00 67 V 8.62 4.43 2.11 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 0.74 0.00 0.00 0.99 0.00 0.00 68 D 8.67 4.48 0.00 2.93 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 69 I 7.89 3.96 1.99 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 1.38 0.92 0.92 0.00 0.00 70 A 8.24 4.62 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 71 V 8.05 4.79 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 0.96 0.00 0.00 0.95 0.00 0.00 72 L 8.34 4.01 0.00 1.83 1.68 0.80 0.49 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 73 K 9.02 3.96 0.00 1.97 1.84 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 74 S 8.15 4.29 0.00 3.91 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 75 Y 8.05 4.52 0.00 2.98 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 76 Q 7.85 4.21 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 77 G 8.84 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 78 Q 8.31 4.30 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 79 A 8.10 3.95 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 80 Y 7.69 4.38 0.00 3.14 3.02 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 81 G 8.19 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 82 S 8.05 4.56 0.00 4.09 4.15 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 83 L 8.14 4.29 0.00 1.98 2.02 1.07 1.10 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 84 I 7.77 3.87 2.07 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 1.54 0.89 0.93 0.00 0.00 *86 E 7.99 4.51 0.00 2.36 2.11 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 2.69 2.43 0.00 87 H 8.12 4.46 0.00 3.58 3.74 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.02 3.83 1.88 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 1.54 1.18 0.96 0.00 0.00 *90 K 8.16 4.17 0.00 2.01 1.87 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.68 7.81 91 Y 7.74 3.71 0.00 1.43 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 2.96 1.69 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 0.96 0.41 0.58 0.00 0.00 93 K 7.09 4.07 0.00 1.62 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 94 N 7.48 4.38 0.00 2.73 2.83 0.00 0.00 6.87 7.97 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 95 V 6.87 4.06 2.03 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 0.32 0.00 0.00 0.36 0.00 0.00 96 S 7.97 4.38 0.00 3.73 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 97 V 7.87 4.56 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 0.93 0.00 0.00 0.96 0.00 0.00 98 E 8.50 4.23 0.00 1.96 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 2.32 2.31 0.00 99 S 8.94 4.46 0.00 4.10 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 0.00 100 V 7.42 3.97 2.23 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 1.04 0.00 0.00 1.12 0.00 0.00 101 Y 9.01 4.88 0.00 3.12 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 0.00 102 V 7.92 5.13 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 1.11 0.00 0.00 0.98 0.00 0.00 103 S 8.98 4.99 0.00 3.94 3.81 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 0.00 104 L 8.16 4.66 0.00 1.20 1.35 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.16 4.22 1.82 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 1.34 0.91 0.86 0.00 0.00 106 A 8.29 4.79 1.37 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 0.00 0.00 107 D 8.55 4.57 0.00 2.67 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 0.00 108 Y 8.77 4.38 0.00 3.18 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 0.00 109 P 0.00 4.27 0.00 1.83 1.97 0.00 3.30 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 110 A 8.20 4.03 1.28 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 0.00 111 D 8.00 4.48 0.00 2.99 2.84 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 0.00 112 K 8.06 3.84 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 113 L 7.60 4.08 0.00 1.59 1.26 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.36 4.49 0.00 3.04 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 0.00 115 V 8.40 3.95 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 1.09 0.00 0.00 1.08 0.00 0.00 116 K 7.89 3.91 0.00 1.79 1.56 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.75 7.81 117 F 8.31 4.42 0.00 3.56 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 0.00 118 G 8.33 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 0.00 119 F 7.82 4.09 0.00 3.28 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 *121 P 0.00 4.32 0.00 2.12 2.08 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 122 T 8.37 4.15 4.37 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 1.34 0.00 0.00 123 E 8.00 4.46 0.00 2.02 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 2.47 2.28 0.00 124 P 0.00 4.53 0.00 2.19 2.19 0.00 3.80 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 2.00 2.00 0.00 125 D 8.13 4.54 0.00 2.83 2.80 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 0.00 126 S 7.96 4.73 0.00 3.98 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 0.00 127 G 8.30 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 0.00 0.00 0.00 0.00 128 G 8.43 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 *130 Y 7.93 4.58 0.00 3.18 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 0.00 131 I 8.02 4.39 1.63 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.75 0.00 0.00 132 K 8.26 4.76 0.00 1.81 1.82 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.75 7.81 133 Y 8.90 4.08 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.