NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1840 8.0932 114.8005 57.9172 64.5910 173.9396 2 L 3.9679 8.2708 119.3661 57.6364 41.0666 179.6614 *3 F 4.0063 8.5484 122.3629 62.0993 38.2841 181.0877 4 E 4.1821 7.8931 118.8045 58.9240 29.1419 178.9002 5 L 4.0909 7.9256 120.2588 58.3260 42.1554 179.1977 6 G 3.6597 8.1403 105.4264 47.6715 0.0000 175.3687 7 K 3.8681 7.8659 121.2678 59.5723 32.2885 178.6808 8 M 3.8040 8.2811 119.3208 58.4249 31.7657 178.8149 9 I 3.5563 7.8621 119.9309 64.3578 37.4396 178.2007 10 L 4.1875 7.8727 122.4311 57.7779 41.6237 179.0901 11 Q 3.8210 7.8921 117.2888 58.6270 28.5425 178.1845 12 E 4.2994 8.0258 118.9414 59.3140 29.9490 178.6020 13 T 4.2680 8.2221 109.6242 63.3143 69.2355 176.5707 *15 G 4.3486 7.6000 107.0578 44.5437 0.0000 172.1604 16 K 4.4506 7.8254 119.5625 54.1297 34.3657 175.3797 17 N 4.6326 8.4199 119.9265 52.9290 39.6964 173.9193 18 P 4.4686 0.0000 0.0000 66.0601 31.3527 178.3648 19 A 3.9415 8.0046 119.9828 54.7955 18.2852 179.3012 20 K 3.8365 8.2868 116.7842 59.4975 32.3578 178.4256 21 S 4.5351 7.7486 114.4851 58.5067 63.2643 174.4610 22 Y 4.9237 7.6539 115.8075 57.3761 39.5508 176.2276 23 G 3.7997 8.3827 109.5571 46.9358 0.0000 174.0216 24 A 4.5858 7.1715 119.7605 51.5796 20.4593 174.0385 25 Y 4.9139 8.6950 123.5101 55.6870 42.5535 175.4266 26 G 3.7586 8.3104 116.4145 47.1204 0.0000 173.2626 27 C 4.7997 9.2992 117.9830 57.1398 41.1528 173.8194 28 N 4.8173 8.5056 114.8621 53.1023 40.7024 173.8202 29 C 4.6028 8.6152 116.1631 58.4052 39.8565 173.5562 30 G 3.6755 7.6194 113.5657 44.3168 0.0000 171.7065 31 V 4.5734 7.9662 112.4791 61.4980 32.4060 175.6331 32 L 4.7556 7.6547 116.0393 54.4159 42.7719 178.1693 33 G 3.8657 8.0694 109.0107 45.3262 0.0000 172.8950 34 R 4.5775 8.0690 118.2636 55.1120 32.4955 175.3228 35 G 4.0131 8.3546 108.7263 46.5913 0.0000 173.5387 *36 Q 4.2951 8.9258 121.1337 54.8916 28.3236 173.1497 37 P 4.3275 0.0000 0.0000 62.5514 31.4436 176.7679 38 K 3.9536 9.3166 122.0720 58.7004 32.5108 176.0519 39 D 4.3120 7.3791 115.8022 51.3520 41.7828 175.8914 40 A 3.9479 8.5625 120.1106 55.9447 17.9225 179.6839 41 T 3.7751 7.9335 113.4234 66.8253 68.5489 175.9333 42 D 4.4931 8.8533 120.1346 57.7029 41.2790 178.4779 43 R 3.9632 8.4937 118.6634 59.4206 30.0198 178.2019 44 C 4.2129 8.2999 116.3689 60.5834 39.0648 175.7918 45 C 4.1728 7.9764 117.7812 59.8821 34.1299 175.6325 46 Y 3.9036 8.0039 121.4807 60.6907 38.3865 178.2913 47 V 3.6547 8.1339 119.2442 66.0930 31.6768 177.3599 48 H 3.9994 8.2360 118.0130 59.2738 29.7961 177.4168 49 K 3.6177 7.7883 120.1172 59.5868 31.6360 178.8131 50 C 4.2447 7.5888 115.2607 59.7914 40.0501 175.0605 51 C 4.3526 7.8758 119.8386 59.6629 41.6100 174.8719 52 Y 4.4693 7.7157 118.2164 61.3569 37.1973 178.5676 53 K 3.7834 7.9311 118.9174 59.5966 31.8812 178.8855 *57 K 4.3515 7.7956 115.6302 56.0649 34.0486 176.4083 58 L 3.9769 7.9651 118.5293 55.2732 41.9580 176.9584 59 T 4.3363 8.4429 111.4774 63.3477 69.9324 172.8058 60 G 4.2977 8.8058 120.4617 46.0348 0.0000 171.9849 61 C 4.7071 7.7729 114.5197 53.6662 41.2086 172.4864 *67 D 4.6278 8.3005 119.6951 53.5363 41.1832 174.0051 68 P 4.0170 0.0000 0.0000 65.2872 31.7883 178.9123 69 K 4.0458 8.0230 119.0139 58.1073 32.4171 178.3119 70 K 4.2649 7.7799 116.1510 57.1941 33.8681 176.3094 71 D 4.4698 8.6946 120.4573 54.1270 40.9106 175.6877 72 R 4.6218 8.6579 123.3592 54.5901 31.2720 175.1387 73 Y 5.0175 7.7401 118.5443 55.1688 41.1464 174.1558 74 S 5.1562 10.1195 115.3710 56.9671 65.9872 172.6557 75 Y 5.3457 8.2919 118.5565 56.3277 41.3941 173.6363 76 S 4.8077 9.6233 115.6123 56.4096 66.5046 174.8764 77 W 5.5419 8.4876 129.9702 56.1755 30.6771 175.2504 78 K 3.8729 8.1369 116.3764 58.4646 31.7385 176.3864 79 D 3.8458 8.9179 123.2993 56.0137 38.5720 173.4729 80 K 2.0000 6.8873 112.2110 56.6719 30.3477 175.8405 81 T 4.6702 6.6761 112.0471 61.9379 73.5420 174.7146 82 I 4.9219 8.8063 126.8333 60.9568 38.2299 175.3521 83 V 4.4242 9.3565 128.5688 61.2034 33.5616 173.9363 84 C 4.9574 8.9920 126.1061 56.0823 41.2296 174.0830 85 G 4.2176 8.1891 112.3486 45.1910 0.0000 172.3782 86 E 4.1952 8.4515 122.5000 56.2998 30.0375 178.5168 *87 N 4.3193 8.7610 120.6953 53.7123 38.4134 171.1158 88 N 4.5417 7.5611 117.0179 52.9763 39.3987 173.1115 *90 P 4.3652 0.0000 0.0000 62.7914 33.7910 179.2110 91 C 4.1731 8.1498 116.6270 60.0149 44.7241 175.8138 92 L 3.7830 7.8598 119.8040 57.3759 41.1923 179.3682 93 K 3.8194 8.3796 120.3020 59.4532 32.0803 178.6182 94 E 3.9324 8.5617 119.9944 58.8593 29.5665 178.6568 95 L 3.8832 7.9096 120.8238 58.2842 42.2014 178.0944 96 C 3.3777 7.7115 118.3896 59.3796 43.8403 175.4139 97 E 3.8031 8.0854 120.2897 59.2481 29.1124 178.6105 98 C 4.2961 7.9511 116.7327 60.1726 38.6639 175.9270 99 D 4.2529 7.9956 119.9594 57.1788 40.4461 178.7072 100 K 3.8093 8.1495 119.9778 59.3708 32.1649 178.5546 101 A 3.9790 8.1752 121.4771 55.2717 18.2669 180.0222 102 V 3.5330 7.6425 116.8655 64.4842 31.6242 178.5502 103 A 3.7913 7.8577 121.6376 55.0399 18.1119 179.7176 104 I 3.7127 7.7737 118.3949 64.5175 37.0538 177.8686 105 C 4.2378 8.1418 119.4451 59.6329 43.2411 175.6255 106 L 3.7924 7.7287 119.7510 57.5190 41.3705 179.2929 107 R 4.0077 7.7799 118.1193 59.6621 29.9516 178.3676 108 E 4.0900 8.2187 117.0630 58.7705 29.7291 178.2594 109 N 4.9760 7.6298 115.2062 53.1202 39.2847 176.7568 110 L 4.2886 8.1013 124.4794 57.7179 41.3636 179.5190 111 G 3.7556 8.2799 107.1415 47.8876 0.0000 174.0282 112 T 4.5223 7.6091 107.1392 61.0753 69.2311 173.6303 113 Y 3.9460 8.0307 125.1112 58.1585 39.1308 174.3859 114 N 5.1353 8.9182 125.7543 51.4563 40.5383 174.8367 115 K 3.9844 8.8999 126.4540 59.1419 32.3588 179.0565 116 K 3.6697 8.7421 119.5627 58.8992 32.1624 176.6297 117 Y 4.3060 7.7613 115.3501 57.9454 37.9895 175.7297 118 R 4.7087 7.9398 119.6348 55.7233 30.8647 174.7410 119 Y 4.6523 7.2521 115.7423 57.1746 40.1824 173.6370 120 H 4.8809 8.9411 116.2592 55.9591 30.8498 175.0279 121 L 4.7749 7.9074 118.2225 52.0996 44.1432 176.1063 122 K 2.4800 8.5999 124.9755 55.8288 32.4861 175.2309 123 P 4.2566 0.0000 0.0000 62.3496 33.1373 175.5457 *125 F 4.3988 8.2847 115.9584 57.4182 39.2203 170.8577 126 C 4.9653 8.4526 121.5303 54.0935 44.4773 174.2381 127 K 3.9745 8.8939 126.0936 57.3773 33.1847 177.1354 *129 K 4.3520 8.5095 125.4685 54.6751 32.9934 175.3797 130 A 4.1450 8.6862 129.4356 51.0649 18.9580 176.9581 131 D 4.5945 8.7016 122.4856 53.6276 41.5627 174.8204 132 P 4.4323 0.0000 0.0000 63.0219 31.9981 177.4913 133 C 4.4547 8.5424 116.1280 57.4495 41.2379 173.9183 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 1 S 8.09 5.18 0.00 4.16 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 2 L 8.27 3.97 0.00 1.72 1.79 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *3 F 8.55 4.01 0.00 2.24 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 4 E 7.89 4.18 0.00 1.58 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 1.47 2.31 0.00 5 L 7.93 4.09 0.00 2.04 1.88 0.94 1.01 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 6 G 8.14 3.66 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 0.00 0.00 0.00 7 K 7.87 3.87 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 8 M 8.28 3.80 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.02 0.00 9 I 7.86 3.56 1.98 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 1.21 0.80 0.85 0.00 0.00 10 L 7.87 4.19 0.00 1.72 1.84 0.85 0.38 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 11 Q 7.89 3.82 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.69 2.11 0.00 12 E 8.03 4.30 0.00 1.99 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 0.00 2.37 2.47 0.00 13 T 8.22 4.27 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 1.17 0.00 0.00 *15 G 7.60 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 0.00 0.00 0.00 0.00 16 K 7.83 4.45 0.00 1.86 1.62 0.00 1.53 0.00 0.00 1.30 0.00 0.00 2.57 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.15 1.23 7.81 17 N 8.42 4.63 0.00 2.72 2.67 0.00 0.00 6.72 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 18 P 0.00 4.47 0.00 2.35 2.35 0.00 3.76 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 2.09 2.18 0.00 19 A 8.00 3.94 1.38 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 0.00 0.00 0.00 20 K 8.29 3.84 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 21 S 7.75 4.54 0.00 3.39 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 22 Y 7.65 4.92 0.00 3.08 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 23 G 8.38 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 24 A 7.17 4.59 0.62 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 25 Y 8.69 4.91 0.00 3.05 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 26 G 8.31 3.76 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 0.00 0.00 0.00 27 C 9.30 4.80 0.00 3.00 3.17 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 28 N 8.51 4.82 0.00 3.01 2.91 0.00 0.00 6.96 7.62 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 29 C 8.62 4.60 0.00 3.45 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 30 G 7.62 3.68 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 0.00 0.00 0.00 31 V 7.97 4.57 2.14 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 0.84 0.00 0.00 1.00 0.00 0.00 32 L 7.65 4.76 0.00 1.66 1.65 1.01 1.03 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 33 G 8.07 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 34 R 8.07 4.58 0.00 1.68 1.91 0.00 2.51 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 35 G 8.35 4.01 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 0.00 0.00 0.00 *36 Q 8.93 4.30 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 37 P 0.00 4.33 0.00 2.06 2.02 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 38 K 9.32 3.95 0.00 1.18 0.91 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.28 7.81 39 D 7.38 4.31 0.00 2.74 2.59 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 40 A 8.56 3.95 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 41 T 7.93 3.78 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 0.93 0.00 0.00 42 D 8.85 4.49 0.00 2.96 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 43 R 8.49 3.96 0.00 1.99 1.95 0.00 3.14 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 44 C 8.30 4.21 0.00 3.10 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 45 C 7.98 4.17 0.00 3.15 3.28 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 46 Y 8.00 3.90 0.00 3.11 3.14 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 47 V 8.13 3.65 2.28 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 0.95 0.00 0.00 1.09 0.00 0.00 48 H 8.24 4.00 0.00 3.19 3.28 0.00 5.66 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 49 K 7.79 3.62 0.00 1.64 1.69 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.46 7.81 50 C 7.59 4.24 0.00 3.00 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 51 C 7.88 4.35 0.00 3.09 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 52 Y 7.72 4.47 0.00 3.12 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 53 K 7.93 3.78 0.00 2.00 1.89 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.64 7.81 *57 K 7.80 4.35 0.00 1.92 1.92 0.00 1.82 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.61 7.81 58 L 7.97 3.98 0.00 1.71 1.58 1.02 0.51 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 59 T 8.44 4.34 4.23 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 0.00 0.00 0.00 1.26 0.00 0.00 60 G 8.81 4.30 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 0.00 61 C 7.77 4.71 0.00 3.31 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 *67 D 8.30 4.63 0.00 2.72 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 68 P 0.00 4.02 0.00 1.49 0.63 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 69 K 8.02 4.05 0.00 1.77 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 70 K 7.78 4.26 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.36 7.81 71 D 8.69 4.47 0.00 2.82 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 72 R 8.66 4.62 0.00 1.77 1.76 0.00 3.17 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 73 Y 7.74 5.02 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 74 S 10.12 5.16 0.00 3.85 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 75 Y 8.29 5.35 0.00 3.27 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 76 S 9.62 4.81 0.00 3.81 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 77 W 8.49 5.54 0.00 3.23 2.99 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 78 K 8.14 3.87 0.00 1.84 1.73 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.53 7.81 79 D 8.92 3.85 0.00 2.68 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 80 K 6.89 2.00 0.00 1.46 1.25 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.84 0.99 7.81 81 T 6.68 4.67 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 1.23 0.00 0.00 82 I 8.81 4.92 1.99 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 1.53 0.96 0.90 0.00 0.00 83 V 9.36 4.42 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 0.93 0.00 0.00 1.00 0.00 0.00 84 C 8.99 4.96 0.00 3.02 2.98 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 85 G 8.19 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 86 E 8.45 4.20 0.00 2.01 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 2.65 2.33 0.00 *87 N 8.76 4.32 0.00 2.74 2.73 0.00 0.00 6.80 7.99 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 88 N 7.56 4.54 0.00 2.98 2.74 0.00 0.00 7.00 7.59 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 *90 P 0.00 4.37 0.00 2.23 2.09 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.15 4.17 0.00 2.97 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 7.86 3.78 0.00 1.92 1.74 0.94 0.99 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 93 K 8.38 3.82 0.00 2.04 1.96 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 94 E 8.56 3.93 0.00 2.08 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 2.30 2.30 0.00 95 L 7.91 3.88 0.00 1.79 1.62 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.71 3.38 0.00 1.80 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 97 E 8.09 3.80 0.00 2.13 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 2.47 2.46 0.00 98 C 7.95 4.30 0.00 3.29 3.26 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 99 D 8.00 4.25 0.00 2.90 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 0.00 100 K 8.15 3.81 0.00 1.74 1.95 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.18 3.98 1.38 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 0.00 0.00 0.00 102 V 7.64 3.53 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 0.42 0.00 0.00 0.78 0.00 0.00 103 A 7.86 3.79 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 0.00 104 I 7.77 3.71 1.85 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 1.59 0.83 0.92 0.00 0.00 105 C 8.14 4.24 0.00 3.08 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 0.00 106 L 7.73 3.79 0.00 1.50 1.27 0.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.78 4.01 0.00 1.96 2.08 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.10 0.00 108 E 8.22 4.09 0.00 2.10 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 0.00 2.36 2.64 0.00 109 N 7.63 4.98 0.00 2.68 2.82 0.00 0.00 6.87 6.61 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 0.00 110 L 8.10 4.29 0.00 1.74 1.74 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.28 3.76 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 0.00 0.00 0.00 112 T 7.61 4.52 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 1.26 0.00 0.00 113 Y 8.03 3.95 0.00 3.08 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 0.00 114 N 8.92 5.14 0.00 2.85 2.88 0.00 0.00 6.76 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 0.00 115 K 8.90 3.98 0.00 1.92 1.94 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.86 1.74 7.81 116 K 8.74 3.67 0.00 1.45 1.76 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.28 7.81 117 Y 7.76 4.31 0.00 1.99 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 0.00 0.00 0.00 118 R 7.94 4.71 0.00 1.81 1.79 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 119 Y 7.25 4.65 0.00 3.06 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 0.00 120 H 8.94 4.88 0.00 3.23 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.91 4.77 0.00 1.59 1.56 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.60 2.48 0.00 1.34 1.51 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.13 0.91 7.81 123 P 0.00 4.26 0.00 1.97 1.93 0.00 3.29 0.00 0.00 2.82 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 *125 F 8.28 4.40 0.00 2.32 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 0.00 0.00 0.00 126 C 8.45 4.97 0.00 2.76 2.98 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 0.00 127 K 8.89 3.97 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *129 K 8.51 4.35 0.00 1.57 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 130 A 8.69 4.14 1.56 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 0.00 131 D 8.70 4.59 0.00 2.77 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 0.00 132 P 0.00 4.43 0.00 2.06 2.01 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 133 C 8.54 4.45 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.