NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0756 8.1576 120.0899 55.6315 33.9799 174.2777 3 S 4.1911 6.6419 112.3071 56.3788 64.8881 172.8633 4 L 4.3265 9.0642 121.4937 57.8329 43.0260 178.5913 5 G 4.6776 8.6092 104.0687 45.0717 0.0000 171.7250 6 R 5.2094 9.3080 118.8110 54.4370 33.6367 174.8684 7 H 5.1737 9.1696 122.9039 54.5166 33.1083 171.7995 8 L 4.7081 8.9331 127.2409 53.5724 43.3511 175.8997 9 V 4.4945 8.5973 124.7763 61.1889 33.3199 174.1028 10 A 5.3066 9.1157 130.4821 50.1538 22.3316 174.2556 11 E 4.7431 9.4338 122.2106 54.7565 31.8687 175.0076 12 F 5.2170 8.7354 124.1401 55.9590 41.5879 174.4912 13 Y 5.1744 8.9859 121.5766 56.2299 41.3850 175.3698 14 E 4.2329 8.8133 118.3507 57.8412 26.9626 174.2195 15 C 4.6851 8.2196 115.5472 58.4463 30.0418 173.6650 16 D 4.4760 8.9499 121.2598 54.3251 40.5988 177.2800 17 R 4.0825 8.5851 126.7168 58.9356 30.4488 178.5370 18 E 4.1016 8.2093 118.4038 59.3521 29.5933 179.1449 19 V 3.6102 8.0613 118.2696 66.1293 31.3740 178.0761 20 L 4.1264 7.9375 117.3883 56.9863 41.4147 177.9498 21 D 5.0693 7.5331 115.2950 53.2427 41.8303 176.1990 22 N 4.7535 7.8728 118.3354 51.8555 39.2473 175.2285 23 V 3.6529 8.1057 128.8403 64.7473 31.6394 178.2206 24 Q 3.8622 8.0185 118.1837 58.5815 28.6580 178.2172 25 L 3.9206 8.3352 121.4339 58.1090 41.8964 179.0034 26 I 3.6771 7.6761 119.0188 64.3149 37.1043 177.6953 27 E 2.5695 7.4693 118.9040 58.7219 29.6221 178.5079 28 Q 4.0835 7.8594 118.0248 58.8248 28.8465 179.5611 29 E 4.2659 8.3610 119.4868 56.5790 29.6757 179.2332 *31 K 4.3556 8.0949 120.4583 56.5870 34.4666 178.3086 32 Q 3.9229 8.1993 119.1646 58.8380 28.9401 177.8424 33 A 3.9482 8.4608 122.1229 55.2171 18.2052 179.3424 34 A 3.9640 7.9841 117.2655 55.5137 18.7680 178.6606 35 Y 4.1411 8.1756 117.9993 61.0511 38.6621 178.2016 36 E 3.9330 8.4776 118.7920 59.4131 29.7798 179.2719 37 S 4.4303 8.0230 113.5502 59.7537 63.0045 175.8799 38 G 3.8346 7.7998 109.8851 44.8145 0.0000 173.5260 39 A 4.2606 7.3050 121.9282 51.9535 19.3439 176.8409 40 T 4.5409 8.1501 115.9787 61.8223 70.2681 174.2309 41 I 4.4214 8.2445 127.4529 60.7663 38.2719 175.6008 42 V 3.9836 8.8492 126.5122 65.3713 32.0999 175.6392 43 T 4.8177 7.5554 112.6914 61.2520 70.8637 171.8306 44 S 5.2372 8.4257 118.2708 57.3207 66.5276 173.4551 45 T 4.6566 8.8955 116.6335 61.1011 70.6842 172.2792 46 F 5.1656 8.8628 126.8728 56.0208 42.4056 174.2153 47 H 4.9965 9.2607 118.9574 54.0349 33.4054 172.3780 48 R 4.6553 8.6565 122.4751 55.6513 30.5194 175.5911 49 F 4.7491 9.6297 130.4812 57.3056 40.8088 174.7049 50 L 4.5419 6.9876 122.6892 52.0806 44.1865 175.3023 51 P 4.0808 0.0000 0.0000 64.6466 31.8670 176.0268 52 Y 4.8998 7.8259 114.3864 56.5503 41.8646 173.6312 53 G 4.1518 8.5265 109.2297 43.6723 0.0000 173.0638 54 V 4.9718 8.6571 122.0820 60.9097 34.8541 174.4740 55 S 5.1209 9.1257 122.9722 56.9022 66.7456 173.2713 56 G 3.1235 8.4452 109.3287 44.6334 0.0000 171.9691 57 V 4.7697 7.7949 121.4051 60.6415 35.2117 174.3716 58 V 4.6412 9.0306 128.0730 61.1312 33.5315 174.5037 59 V 4.3134 8.6646 130.0017 62.5358 32.3357 175.4059 60 I 4.9327 8.1191 121.9142 58.1425 40.3176 175.5560 61 S 3.9973 8.8301 115.3464 62.0569 62.4499 175.6771 62 E 4.7082 7.6650 113.5002 55.5002 32.3649 175.5571 63 S 4.1136 7.3954 114.5814 58.3720 68.3685 173.4849 64 H 5.2551 7.9177 113.4931 54.8535 32.4045 172.8340 65 L 5.3719 8.9972 119.8620 53.2725 44.5706 175.8905 66 T 5.0948 9.0564 112.9380 60.1382 72.8822 172.5902 67 I 4.9650 8.1882 121.9056 59.9889 42.1208 173.3245 68 H 5.1951 9.1556 125.5325 54.2767 32.2303 172.4653 69 T 5.0580 8.7254 114.1430 59.8863 71.3676 174.6694 70 W 4.8490 9.4856 123.4756 53.9229 29.7380 174.0468 71 P 4.2898 0.0000 0.0000 65.3128 31.2819 178.6759 72 E 3.8891 8.1365 114.3468 58.3616 29.4576 176.8195 73 Y 4.8214 7.9703 115.4915 57.1145 39.1369 176.1028 74 G 4.0712 8.4559 108.3214 46.1908 0.0000 172.2012 75 Y 5.4617 8.1458 119.8302 55.4872 41.9104 174.2224 76 A 4.9210 8.2470 126.2315 49.9384 23.1057 174.7485 77 A 4.6821 8.7683 124.3595 50.7701 20.5204 176.1700 78 I 4.9092 8.4517 123.3460 59.9561 40.7487 174.8081 79 D 5.3220 8.9796 125.0384 52.6534 44.7663 174.7805 80 L 4.7916 9.1959 123.1949 52.7812 44.2771 174.5625 81 F 5.4619 9.2314 127.2606 56.5716 41.3189 174.0782 82 T 4.7691 9.2285 116.5995 60.0310 72.1520 172.9286 83 C 5.1845 8.7621 119.5601 59.0869 31.8010 174.1539 84 G 4.0768 8.2680 110.1489 47.0763 0.0000 174.3724 85 E 4.0085 8.7385 123.8095 58.9214 29.5404 177.5085 86 D 4.5433 8.0794 116.8607 54.3563 40.0438 175.6564 87 V 4.6071 7.7563 119.9594 60.9913 34.1793 173.9693 88 D 4.8931 8.8851 126.9564 51.4723 42.1239 174.4645 89 P 4.3805 0.0000 0.0000 65.3503 31.3828 178.2669 90 W 4.3415 8.5433 119.0193 59.4745 28.9632 178.4686 91 K 4.1876 8.3743 118.6243 59.2059 31.3936 179.2388 92 A 4.1689 8.0551 120.8690 54.9042 18.4212 179.0025 93 F 4.1845 8.3314 119.2974 61.6553 39.4280 176.9878 94 E 3.5880 8.5663 118.6415 59.3862 29.3916 178.1026 95 H 4.0477 8.1007 117.7100 59.4679 29.9051 177.2637 96 L 4.0359 8.1725 120.7750 57.4268 41.4984 179.1678 97 K 3.4569 8.2913 120.1325 59.6093 31.7568 178.9867 98 K 3.9551 7.6827 116.9467 59.2366 32.0563 179.0260 99 A 4.0739 8.1530 120.7292 54.4989 18.5615 178.8342 100 L 4.3321 8.2936 116.1939 53.8785 42.2318 177.0984 101 K 3.9778 7.9421 116.4218 56.9677 29.9707 175.8336 102 A 4.2069 7.9441 120.6505 52.5868 18.8231 178.5077 103 K 4.4094 8.3414 120.5391 57.4315 33.2610 177.1663 104 R 4.7873 7.7002 120.1386 55.1421 33.5043 173.9582 105 V 5.2029 8.5420 117.9899 59.9862 36.1312 174.1880 106 H 5.0307 9.4011 122.5502 54.5105 32.9452 172.3070 107 V 4.8853 8.2985 124.4870 61.1062 34.4519 174.3157 108 V 4.3671 8.6018 127.3150 61.0033 34.2366 173.6366 109 E 4.8324 8.7499 128.3827 55.1140 30.7515 174.5082 110 H 4.9534 9.0434 124.9723 54.4381 31.2973 174.1993 111 E 4.6304 8.6426 121.2056 55.9284 30.6848 175.9613 112 R 4.2567 8.7194 123.5826 54.4327 32.6204 176.1854 113 G 4.0294 8.4884 112.3030 46.1071 0.0000 173.7423 114 R 4.2474 7.4993 117.4655 56.3033 31.2823 178.3193 115 Y 4.4252 8.8182 120.8249 61.3420 37.9814 177.9097 116 D 4.6000 8.1634 115.9831 54.1972 39.9600 176.2382 117 E 4.3327 8.3351 121.5783 57.7752 31.4617 176.6713 *118 I 4.0079 7.2540 120.3956 60.0089 36.2469 179.6380 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 K 8.16 4.08 0.00 1.69 1.79 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.39 7.81 3 S 6.64 4.19 0.00 3.98 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.33 0.00 1.86 1.88 1.02 1.56 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 5 G 8.61 4.68 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 6 R 9.31 5.21 0.00 1.76 1.84 0.00 3.13 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 1.56 1.57 0.00 7 H 9.17 5.17 0.00 2.56 2.83 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.93 4.71 0.00 1.34 1.12 -0.63 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.60 4.49 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 0.96 0.00 0.00 0.84 0.00 0.00 10 A 9.12 5.31 1.33 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 0.00 0.00 11 E 9.43 4.74 0.00 1.88 1.61 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 2.35 2.54 0.00 12 F 8.74 5.22 0.00 2.78 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 13 Y 8.99 5.17 0.00 3.03 2.89 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 14 E 8.81 4.23 0.00 2.19 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 2.30 2.44 0.00 15 C 8.22 4.69 0.00 3.05 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 16 D 8.95 4.48 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 4.08 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 18 E 8.21 4.10 0.00 2.16 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 2.40 2.35 0.00 19 V 8.06 3.61 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 1.05 0.00 0.00 0.98 0.00 0.00 20 L 7.94 4.13 0.00 1.87 1.78 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.53 5.07 0.00 2.70 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 22 N 7.87 4.75 0.00 2.94 2.81 0.00 0.00 6.96 7.35 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 23 V 8.11 3.65 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 0.77 0.00 0.00 1.00 0.00 0.00 24 Q 8.02 3.86 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 25 L 8.34 3.92 0.00 1.73 1.77 0.96 0.93 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 26 I 7.68 3.68 1.89 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 1.67 0.95 1.03 0.00 0.00 27 E 7.47 2.57 0.00 1.16 1.68 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 1.97 1.57 0.00 28 Q 7.86 4.08 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 29 E 8.36 4.27 0.00 1.94 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 2.54 2.49 0.00 *31 K 8.09 4.36 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.51 7.81 32 Q 8.20 3.92 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 33 A 8.46 3.95 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 34 A 7.98 3.96 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 35 Y 8.18 4.14 0.00 3.07 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 36 E 8.48 3.93 0.00 2.13 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 0.00 2.68 2.49 0.00 37 S 8.02 4.43 0.00 4.23 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 38 G 7.80 3.83 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 0.00 0.00 0.00 39 A 7.31 4.26 1.22 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 40 T 8.15 4.54 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 1.22 0.00 0.00 41 I 8.24 4.42 1.90 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 1.33 0.53 0.97 0.00 0.00 42 V 8.85 3.98 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 0.70 0.00 0.00 0.96 0.00 0.00 43 T 7.56 4.82 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 1.21 0.00 0.00 44 S 8.43 5.24 0.00 4.21 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 45 T 8.90 4.66 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 1.18 0.00 0.00 46 F 8.86 5.17 0.00 2.96 2.89 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 47 H 9.26 5.00 0.00 3.08 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.66 4.66 0.00 1.83 1.86 0.00 3.30 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 49 F 9.63 4.75 0.00 2.87 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 50 L 6.99 4.54 0.00 1.29 1.26 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.08 0.00 1.18 1.81 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 52 Y 7.83 4.90 0.00 3.04 2.86 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 0.00 0.00 0.00 0.00 53 G 8.53 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 0.00 0.00 0.00 54 V 8.66 4.97 2.21 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 1.21 0.00 0.00 1.07 0.00 0.00 55 S 9.13 5.12 0.00 3.74 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 56 G 8.45 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 0.00 0.00 0.00 57 V 7.79 4.77 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 0.97 0.00 0.00 0.79 0.00 0.00 58 V 9.03 4.64 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 1.02 0.00 0.00 1.14 0.00 0.00 59 V 8.66 4.31 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 0.88 0.00 0.00 0.91 0.00 0.00 60 I 8.12 4.93 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.70 0.94 0.00 0.00 61 S 8.83 4.00 0.00 3.83 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 62 E 7.66 4.71 0.00 1.76 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 0.00 2.16 2.23 0.00 63 S 7.40 4.11 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 64 H 7.92 5.26 0.00 3.08 3.32 0.00 5.20 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 65 L 9.00 5.37 0.00 1.60 1.59 0.95 0.74 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 66 T 9.06 5.09 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 1.15 0.00 0.00 67 I 8.19 4.97 1.80 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 1.15 1.38 0.96 0.00 0.00 68 H 9.16 5.20 0.00 3.26 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.73 5.06 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 1.25 0.00 0.00 70 W 9.49 4.85 0.00 3.60 3.32 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 71 P 0.00 4.29 0.00 2.09 2.26 0.00 3.72 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 2.44 2.21 0.00 72 E 8.14 3.89 0.00 1.74 1.88 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 1.47 1.56 0.00 73 Y 7.97 4.82 0.00 3.22 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 74 G 8.46 4.07 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 0.00 0.00 0.00 75 Y 8.15 5.46 0.00 3.23 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 76 A 8.25 4.92 1.02 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 77 A 8.77 4.68 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 78 I 8.45 4.91 1.37 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 0.90 0.28 0.70 0.00 0.00 79 D 8.98 5.32 0.00 2.63 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 80 L 9.20 4.79 0.00 1.43 1.53 0.99 0.94 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 81 F 9.23 5.46 0.00 2.57 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 82 T 9.23 4.77 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 1.21 0.00 0.00 83 C 8.76 5.18 0.00 2.89 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 84 G 8.27 4.08 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 0.00 85 E 8.74 4.01 0.00 1.98 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 2.32 2.34 0.00 86 D 8.08 4.54 0.00 2.86 2.90 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 87 V 7.76 4.61 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 0.84 0.00 0.00 0.97 0.00 0.00 88 D 8.89 4.89 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 89 P 0.00 4.38 0.00 2.11 2.26 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 90 W 8.54 4.34 0.00 3.68 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.37 4.19 0.00 2.01 1.93 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.72 7.81 92 A 8.06 4.17 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 93 F 8.33 4.18 0.00 3.04 3.38 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 94 E 8.57 3.59 0.00 2.30 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 2.32 2.36 0.00 95 H 8.10 4.05 0.00 3.38 3.48 0.00 5.84 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 96 L 8.17 4.04 0.00 1.96 1.79 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.29 3.46 0.00 1.04 1.52 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.77 1.20 7.81 98 K 7.68 3.96 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 A 8.15 4.07 1.33 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 0.00 0.00 100 L 8.29 4.33 0.00 2.10 1.85 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.94 3.98 0.00 1.94 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 102 A 7.94 4.21 0.97 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 0.00 0.00 103 K 8.34 4.41 0.00 1.73 1.90 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.61 7.81 104 R 7.70 4.79 0.00 1.92 1.91 0.00 3.11 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 105 V 8.54 5.20 2.27 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 0.25 0.00 0.00 1.14 0.00 0.00 106 H 9.40 5.03 0.00 3.38 3.28 0.00 5.52 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 0.00 107 V 8.30 4.89 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 0.45 0.00 0.00 0.80 0.00 0.00 108 V 8.60 4.37 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 0.84 0.00 0.00 0.97 0.00 0.00 109 E 8.75 4.83 0.00 2.18 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 2.25 2.33 0.00 110 H 9.04 4.95 0.00 3.01 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.64 4.63 0.00 1.81 1.81 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 2.24 2.31 0.00 112 R 8.72 4.26 0.00 1.63 1.68 0.00 3.15 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 113 G 8.49 4.03 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 0.00 0.00 0.00 114 R 7.50 4.25 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 115 Y 8.82 4.43 0.00 2.92 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 0.00 116 D 8.16 4.60 0.00 2.82 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 0.00 117 E 8.34 4.33 0.00 2.08 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 2.26 2.36 0.00 *118 I 7.25 4.01 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.57 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.