NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3703 8.1927 115.2814 57.4989 62.6230 173.2635 4 L 3.7170 8.3196 128.7971 57.4892 41.8281 176.7454 5 A 3.9918 8.1423 120.6293 55.1014 18.7882 179.0027 6 R 3.8271 8.0496 116.9889 59.3585 30.1737 178.3213 7 A 4.1721 8.0392 120.1264 55.5328 18.3391 179.3982 8 V 3.5525 7.9866 116.5816 66.3710 31.5501 177.8138 9 E 3.9713 8.3720 118.8078 59.3389 29.4284 179.0957 10 R 4.0370 8.0838 118.3372 59.0593 30.1567 178.7146 11 L 3.9853 8.0729 120.2938 58.0315 41.8804 178.9540 12 K 3.9851 8.2532 118.6641 59.3623 32.5450 178.3583 13 A 4.1551 8.1903 120.9472 55.0336 18.1949 179.4365 14 A 4.0314 8.0409 119.2729 55.4120 18.3455 179.7286 15 L 4.1779 7.7801 115.3794 56.9727 41.7176 178.6984 16 E 4.1563 7.8145 118.6933 57.7502 29.8993 177.0511 17 R 4.2826 7.0958 117.1076 54.5577 30.9548 174.3932 18 P 4.3249 0.0000 0.0000 62.1820 31.8448 176.1279 19 K 3.8859 8.6925 124.3123 56.6198 32.4324 175.8057 20 D 4.8261 8.2267 125.1898 50.5491 44.0525 175.7442 21 E 3.6582 8.5283 118.1713 59.5087 29.0675 179.3146 22 F 4.2547 7.8885 118.2771 60.2848 39.1882 177.7198 23 I 3.8696 8.7172 121.2547 63.6517 36.9225 178.2405 24 R 3.5738 7.9950 119.7420 59.7320 29.8632 178.3555 25 D 4.4304 8.0277 118.7114 57.3178 40.3567 179.0093 26 S 4.2309 8.4751 114.8065 61.2718 63.0497 176.4794 27 A 4.1370 8.5285 124.9475 55.0337 18.2594 179.6953 28 I 3.8089 8.0582 118.4388 64.5734 37.1389 178.4466 29 Q 4.0243 8.3302 120.4866 59.3259 28.8984 178.5778 30 R 2.5588 7.9698 119.1137 58.5273 30.0353 178.7535 31 F 4.3021 8.1037 120.6110 60.8307 39.3030 177.2543 32 E 3.6311 7.7987 118.5044 59.3110 29.2839 179.3013 33 F 4.4054 7.5912 114.2329 60.1629 37.9444 177.7038 34 T 3.8799 7.4991 116.5302 66.3131 68.1516 176.5334 35 F 4.2108 8.0961 122.7418 60.9018 39.1997 176.9162 36 E 4.3103 8.2231 118.7457 59.4903 29.5876 178.6231 37 L 3.8458 8.3106 120.4020 57.8125 42.0480 178.8476 38 A 3.9010 8.0193 121.1778 54.9361 18.4470 179.7368 39 W 4.1016 8.0167 114.8609 59.0689 28.1497 178.4060 40 K 2.9038 7.0642 121.0469 59.2789 31.4364 178.8062 41 T 3.9570 7.5867 115.6960 65.9362 68.3050 176.7599 42 L 4.0532 7.6509 121.1128 56.8602 41.5293 179.3127 43 K 3.9146 7.5867 119.6160 59.9094 32.0094 178.8700 44 T 3.7917 7.5387 114.5452 66.6759 68.4164 175.9776 45 F 4.1863 8.0705 122.1548 61.1880 39.4486 177.5498 46 L 4.0682 8.3883 118.7541 57.6811 41.1708 179.2759 47 E 4.2507 8.2299 119.5125 58.3555 29.5043 179.1475 48 L 4.0476 7.4010 119.4671 57.5985 41.5585 179.6155 49 Q 4.4195 7.6894 117.1402 55.9896 30.5210 175.2779 50 G 3.9634 8.1157 103.2748 46.4862 0.0000 174.5776 51 L 4.7950 8.0446 118.0129 52.2776 45.1230 176.5682 52 E 4.2696 8.7017 120.6336 55.7572 30.3557 174.3426 53 A 4.5207 7.8044 120.8519 50.2879 21.9957 176.7192 54 R 3.9843 8.2726 109.7167 56.7533 29.9369 176.3822 55 S 4.3143 8.4091 111.8692 55.3692 66.2078 173.6530 56 P 3.9241 0.0000 0.0000 65.5191 30.8343 179.0840 57 R 3.8425 7.6931 116.9138 59.2730 30.0901 178.2975 58 A 3.9390 8.0555 120.4346 55.0941 18.3788 179.4996 59 A 3.9804 8.5141 119.7795 55.3136 18.3182 180.0267 60 I 3.1912 7.8333 118.4150 64.3665 37.0368 178.8726 61 R 3.9727 8.1108 119.2244 59.0624 29.7656 179.4119 62 G 3.5591 8.2129 105.5379 47.5677 0.0000 175.7025 63 A 3.9091 7.7458 123.0511 54.8909 18.0002 179.7746 64 F 4.7082 7.4059 115.7718 60.6562 39.3123 177.8802 65 Q 4.2576 7.8895 117.8573 59.0268 28.6011 180.2000 66 V 4.2052 8.1419 112.1421 61.3041 31.5320 176.8498 67 G 4.1179 8.4741 104.6165 46.1053 0.0000 174.9563 68 L 3.6978 7.2372 119.5503 57.5164 42.4269 177.6591 69 L 4.5034 7.8658 120.4149 53.0770 43.3446 174.7894 70 P 4.7122 0.0000 0.0000 61.4399 32.6913 176.3675 71 E 2.9213 8.3009 119.6374 56.3887 27.3857 174.6576 72 D 4.7872 7.2698 121.3570 51.0410 42.4177 174.7142 73 P 4.5508 0.0000 0.0000 65.2195 30.8953 177.6910 74 F 4.3220 8.9610 120.5595 60.8381 39.2604 176.5641 75 W 4.0781 8.3539 118.3754 59.7294 29.2001 178.0798 76 L 4.3427 8.1867 118.4172 57.1648 41.1601 178.8578 77 E 4.2251 7.6790 118.2482 56.3036 29.6936 178.1990 *79 L 3.7048 7.9286 120.7770 54.4865 44.1515 178.4924 80 E 3.8966 7.9265 117.5159 59.2764 29.3805 179.1467 81 L 3.8845 7.7217 118.9925 57.9790 41.4892 179.6103 82 R 3.8937 7.7340 116.5903 59.4978 29.6353 177.8223 83 N 4.4513 7.8172 115.9159 56.1461 38.5646 177.2466 84 L 4.1470 8.1980 120.3959 57.0045 41.5208 178.8377 85 T 4.0789 7.5077 108.2530 63.5777 68.6755 175.5189 86 N 4.5466 7.7457 118.6210 55.4608 38.8810 175.2151 87 H 3.7322 7.8316 116.9593 55.4367 29.0115 176.2741 88 T 3.8543 7.5863 106.0150 62.6211 67.9973 174.5135 89 Y 4.1660 6.7782 119.2176 58.4808 38.6838 175.4122 90 D 4.7557 7.6741 121.5838 52.9634 41.8244 176.0879 91 E 3.9625 8.6605 127.9612 59.2745 29.5909 179.0435 92 A 3.9629 8.0432 120.4811 54.9923 18.4268 179.2865 93 L 3.8805 8.5011 118.9442 58.1194 42.1434 179.0099 94 A 3.9921 7.8118 120.5515 55.1253 18.2869 179.5242 95 E 3.9417 8.3938 117.2684 59.5461 29.3105 179.6896 96 R 3.9369 7.7020 117.0552 59.2665 30.3699 178.9689 97 I 3.7359 7.8719 119.4962 64.5901 37.2479 177.6856 98 Y 3.8962 8.1335 120.1242 60.8176 38.2893 178.1822 99 A 4.0297 8.0602 120.3660 54.2734 18.7707 178.3566 100 E 4.3021 7.9478 115.7175 56.6921 30.0801 178.0883 101 L 3.6861 7.2167 120.1540 57.0557 41.6566 177.3272 102 P 4.1266 0.0000 0.0000 65.5404 31.4042 178.6735 103 K 3.6833 7.7957 116.3632 59.2212 31.9220 178.8661 104 A 3.7922 7.8891 120.9826 55.1651 18.2394 179.3617 105 L 4.0998 8.2407 119.0311 58.3635 42.1030 178.9007 106 E 4.1016 7.9020 118.3191 59.7783 29.5653 179.7399 107 R 4.0809 7.6951 117.4983 59.0205 29.9643 179.2422 108 F 4.7577 7.8451 117.7476 60.9182 39.0828 177.6800 109 Q 4.1325 8.4453 117.7378 59.0961 28.6503 178.6313 110 E 4.0773 8.4538 120.2705 58.9628 29.7440 178.6075 111 L 4.1046 8.0971 120.4813 57.8009 41.9381 178.8845 112 L 4.0348 7.9316 118.3676 58.3645 41.8245 178.9731 113 R 3.9488 8.0554 117.7289 59.2791 29.7399 178.9338 114 R 3.8999 8.0717 119.8846 59.3766 30.3665 178.5549 115 L 3.9686 7.5992 118.9720 56.7703 42.1465 176.3023 116 E 4.2997 8.2762 122.8001 56.3057 29.6996 175.4915 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 3 S 8.19 4.37 0.00 3.85 3.82 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 4 L 8.32 3.72 0.00 1.84 1.66 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.14 3.99 1.34 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 6 R 8.05 3.83 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 7 A 8.04 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.99 3.55 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 1.19 0.00 0.00 1.00 0.00 0.00 9 E 8.37 3.97 0.00 2.13 2.24 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 2.36 2.39 0.00 10 R 8.08 4.04 0.00 2.37 2.18 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 11 L 8.07 3.99 0.00 1.75 1.91 1.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.25 3.99 0.00 1.91 2.05 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 A 8.19 4.16 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 14 A 8.04 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.18 0.00 1.79 1.71 0.86 0.75 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 16 E 7.81 4.16 0.00 2.23 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 0.00 2.34 2.41 0.00 17 R 7.10 4.28 0.00 1.99 1.89 0.00 3.42 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 18 P 0.00 4.32 0.00 2.19 2.08 0.00 3.81 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 2.01 1.97 0.00 19 K 8.69 3.89 0.00 1.74 1.75 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 0.87 7.81 20 D 8.23 4.83 0.00 2.94 2.71 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 0.00 0.00 0.00 21 E 8.53 3.66 0.00 1.83 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 1.95 1.47 0.00 22 F 7.89 4.25 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 23 I 8.72 3.87 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 1.02 0.00 0.00 24 R 7.99 3.57 0.00 1.29 1.85 0.00 2.97 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.00 25 D 8.03 4.43 0.00 2.83 2.73 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 26 S 8.48 4.23 0.00 4.14 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 0.00 27 A 8.53 4.14 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 0.00 0.00 0.00 0.00 0.00 28 I 8.06 3.81 2.09 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 1.48 1.45 1.00 0.00 0.00 29 Q 8.33 4.02 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 30 R 7.97 2.56 0.00 1.95 1.64 0.00 3.24 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 31 F 8.10 4.30 0.00 3.15 3.30 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 32 E 7.80 3.63 0.00 2.29 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 2.31 2.62 0.00 33 F 7.59 4.41 0.00 3.15 3.34 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 34 T 7.50 3.88 3.94 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 0.00 0.00 0.21 0.00 0.00 35 F 8.10 4.21 0.00 2.85 2.78 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 36 E 8.22 4.31 0.00 2.41 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 0.00 2.42 2.43 0.00 37 L 8.31 3.85 0.00 1.95 1.60 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.02 3.90 1.50 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 0.00 0.00 39 W 8.02 4.10 0.00 3.47 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 40 K 7.06 2.90 0.00 1.41 1.62 0.00 1.10 0.00 0.00 0.67 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.12 1.15 7.81 41 T 7.59 3.96 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 1.18 0.00 0.00 42 L 7.65 4.05 0.00 1.84 1.62 0.51 0.56 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 43 K 7.59 3.91 0.00 1.77 1.76 0.00 1.49 0.00 0.00 1.43 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.49 7.81 44 T 7.54 3.79 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 1.18 0.00 0.00 45 F 8.07 4.19 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.07 0.00 1.81 1.74 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.23 4.25 0.00 1.97 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 2.33 2.19 0.00 48 L 7.40 4.05 0.00 1.63 1.45 0.91 0.63 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 49 Q 7.69 4.42 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 50 G 8.12 3.96 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 0.00 0.00 0.00 51 L 8.04 4.79 0.00 1.75 1.54 0.95 1.15 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 52 E 8.70 4.27 0.00 2.07 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 2.27 2.37 0.00 53 A 7.80 4.52 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 54 R 8.27 3.98 0.00 2.12 2.16 0.00 3.28 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 55 S 8.41 4.31 0.00 3.80 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 56 P 0.00 3.92 0.00 1.85 1.62 0.00 3.00 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 1.23 0.44 0.00 57 R 7.69 3.84 0.00 1.83 1.86 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 58 A 8.06 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 59 A 8.51 3.98 1.57 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 0.00 0.00 60 I 7.83 3.19 1.84 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 1.32 1.34 0.37 0.00 0.00 61 R 8.11 3.97 0.00 2.06 1.99 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 62 G 8.21 3.56 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 63 A 7.75 3.91 0.99 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 0.00 0.00 64 F 7.41 4.71 0.00 3.14 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 65 Q 7.89 4.26 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 66 V 8.14 4.21 2.22 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 0.87 0.00 0.00 1.15 0.00 0.00 67 G 8.47 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 68 L 7.24 3.70 0.00 1.52 1.61 0.20 0.60 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 69 L 7.87 4.50 0.00 1.76 1.73 0.62 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.71 0.00 2.18 2.07 0.00 3.95 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 71 E 8.30 2.92 0.00 1.79 1.67 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 2.16 2.12 0.00 72 D 7.27 4.79 0.00 2.82 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 73 P 0.00 4.55 0.00 2.38 2.35 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 74 F 8.96 4.32 0.00 2.96 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 75 W 8.35 4.08 0.00 3.77 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 76 L 8.19 4.34 0.00 1.92 1.78 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.68 4.23 0.00 2.09 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 2.23 2.29 0.00 *79 L 7.93 3.70 0.00 1.91 1.93 0.94 0.89 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 80 E 7.93 3.90 0.00 2.04 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 2.28 2.45 0.00 81 L 7.72 3.88 0.00 1.65 1.63 0.58 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.73 3.89 0.00 0.90 1.54 0.00 3.28 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 83 N 7.82 4.45 0.00 2.97 2.80 0.00 0.00 6.98 6.16 0.00 0.00 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 L 8.20 4.15 0.00 1.78 1.65 0.86 0.77 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 85 T 7.51 4.08 4.50 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 1.40 0.00 0.00 86 N 7.75 4.55 0.00 2.69 2.81 0.00 0.00 6.86 8.04 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 87 H 7.83 3.73 0.00 2.96 2.73 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.59 3.85 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 1.16 0.00 0.00 89 Y 6.78 4.17 0.00 3.06 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 90 D 7.67 4.76 0.00 2.78 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 91 E 8.66 3.96 0.00 2.03 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 2.37 2.38 0.00 92 A 8.04 3.96 1.34 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 93 L 8.50 3.88 0.00 1.71 1.84 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.81 3.99 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 95 E 8.39 3.94 0.00 2.15 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 2.44 2.45 0.00 96 R 7.70 3.94 0.00 2.02 1.96 0.00 3.15 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 97 I 7.87 3.74 1.98 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 1.34 0.71 0.76 0.00 0.00 98 Y 8.13 3.90 0.00 3.13 3.11 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 0.00 0.00 0.00 99 A 8.06 4.03 1.39 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 0.00 100 E 7.95 4.30 0.00 1.94 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 2.40 2.45 0.00 101 L 7.22 3.69 0.00 1.36 1.49 0.89 0.30 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 0.00 102 P 0.00 4.13 0.00 2.00 1.99 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 103 K 7.80 3.68 0.00 1.59 0.91 0.00 1.40 0.00 0.00 1.28 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.06 1.21 7.81 104 A 7.89 3.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.24 4.10 0.00 1.78 1.89 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.90 4.10 0.00 2.22 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 2.29 2.45 0.00 107 R 7.70 4.08 0.00 1.45 1.24 0.00 3.10 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.81 0.00 108 F 7.85 4.76 0.00 3.37 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 0.00 109 Q 8.45 4.13 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 110 E 8.45 4.08 0.00 2.19 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 0.00 2.44 2.48 0.00 111 L 8.10 4.10 0.00 2.25 2.26 0.77 0.62 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 0.00 112 L 7.93 4.03 0.00 1.92 1.76 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.06 3.95 0.00 2.08 1.93 0.00 3.18 0.00 0.00 3.20 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 114 R 8.07 3.90 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.38 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 115 L 7.60 3.97 0.00 1.89 1.82 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.28 4.30 0.00 1.97 1.83 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 2.46 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.