NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3258 8.2993 120.0044 56.9501 33.7608 175.9063 12 F 4.6083 8.4830 116.3629 55.1685 36.5148 174.8675 13 R 4.0995 8.9216 125.2004 59.1801 31.2883 181.1683 14 V 3.0504 8.0449 117.5306 65.9761 32.1250 177.2047 15 R 3.3742 7.3650 114.1440 57.5971 25.7313 176.5540 16 N 4.3839 7.4380 120.6050 55.1936 39.2817 175.9780 17 R 4.1706 6.6911 114.0360 56.6723 30.7526 175.5509 18 I 3.5220 8.3650 122.2185 62.6739 35.0935 175.8591 19 K 4.1580 7.3516 113.0954 57.1534 31.6496 176.4098 20 R 4.4054 7.4653 117.1609 55.4621 29.9822 174.6132 21 T 4.3296 7.7164 119.4500 64.7837 71.7086 176.0354 22 G 3.8575 7.7873 114.7110 46.5508 0.0000 170.5433 23 R 3.6626 8.0811 125.6602 56.3568 30.3681 176.0093 24 L 3.5662 8.0983 117.7728 55.6601 38.7184 173.2459 25 R 4.3479 8.7057 123.1231 54.9424 32.1930 174.7768 26 L 4.9122 7.7810 127.3897 53.0588 41.4005 174.6316 27 S 4.5925 8.9001 119.1881 59.2765 64.0560 172.4245 28 V 3.6434 8.8019 123.8938 62.0358 30.5485 175.1404 29 F 4.1510 9.7217 131.1687 58.5320 38.5597 171.6729 30 R 4.7475 8.1632 127.7656 54.6186 32.3248 174.9008 31 S 4.6637 7.8557 125.1153 58.0032 60.6055 175.2266 32 L 4.6494 7.9030 115.6583 53.6683 42.6754 175.3467 33 K 4.4922 7.6335 125.7377 56.9551 34.3564 172.9601 34 H 4.9526 7.0279 114.3289 55.3513 32.9721 171.4467 35 I 4.4980 8.3116 117.1802 61.1026 40.8500 173.3253 36 Y 5.6402 9.3320 126.9319 56.2135 39.8546 175.0033 37 A 4.9959 8.3667 121.1322 50.9217 23.4389 175.5902 38 Q 4.8724 8.7419 122.0092 55.8883 32.3313 173.9516 39 I 4.5792 8.5146 129.4157 60.7662 37.6612 174.4355 40 I 4.5831 8.8806 129.0055 59.8818 39.2362 174.6478 41 D 4.9000 8.6075 127.1824 53.2434 42.0063 176.0364 42 D 4.9506 8.4900 126.6673 54.0769 42.5948 176.3830 43 E 4.2093 8.8641 119.6836 57.0100 28.2205 175.6577 44 K 4.4422 7.6597 113.2092 54.7652 34.1725 175.8164 45 G 3.9528 7.9808 106.9872 46.9592 0.0000 171.7091 46 V 4.5999 7.8046 117.0061 61.1402 35.8898 174.2684 47 T 5.0698 8.2410 116.9075 62.0911 72.4271 174.3826 48 L 4.8185 8.6492 119.4394 54.5195 45.2927 176.6570 49 V 4.5509 7.6917 119.4451 61.7127 34.9522 173.2187 50 S 5.2267 8.5952 121.4050 56.1172 66.3929 173.6571 51 A 4.3358 8.1360 116.4448 51.7454 20.9718 176.0623 52 S 4.3580 8.5235 116.8084 57.1165 65.8936 175.4473 53 S 4.7110 7.6517 118.2412 57.8754 60.9826 177.5715 54 L 4.2337 8.8262 128.8257 56.9227 41.5470 177.9946 55 A 3.9585 7.4051 121.4734 54.9788 17.9577 178.3408 56 L 3.9683 8.4576 117.7729 54.8565 42.9536 180.7793 57 K 4.0854 7.9810 120.3404 56.5425 36.3226 171.2161 58 L 3.6009 8.6652 129.5363 55.1287 42.6131 174.6537 59 K 3.5706 8.7327 125.6171 58.6698 31.9726 175.4315 60 G 4.0199 8.1446 109.2454 47.3441 0.0000 172.6715 61 N 4.5986 7.9917 118.8292 52.9622 39.4468 173.5101 62 K 4.2941 7.7309 118.8331 58.2390 33.4622 179.3278 63 T 3.7719 7.8394 111.2910 64.7293 68.8605 175.5240 64 E 3.5222 7.6339 119.4780 60.7363 29.4846 178.8902 65 V 3.9626 7.9684 119.5952 64.8958 31.8906 177.6565 66 A 4.2425 7.9434 117.9260 53.1085 18.1156 177.7331 67 R 4.3881 7.8041 117.7462 58.0267 31.9531 177.5091 68 Q 4.0036 8.2249 117.1743 58.4974 28.6317 179.5959 69 V 3.8568 7.8932 120.6760 64.6056 31.6907 178.6295 70 G 3.6308 8.3690 107.0259 47.5582 0.0000 175.5922 71 R 3.8622 8.2045 120.0410 59.1683 29.9327 178.6975 72 A 3.9629 7.9939 120.1882 55.2571 18.2450 179.1456 73 L 3.9056 8.4770 116.7052 59.2937 41.7705 180.1237 74 A 3.2965 9.0885 114.1612 53.5296 19.0548 178.9417 75 E 3.8713 7.7566 116.9712 58.8174 30.2028 179.6068 76 K 3.9198 8.2863 117.3089 59.9179 32.4850 178.4323 77 A 3.9175 10.2986 120.2851 53.4939 17.7016 179.2926 78 L 3.9147 8.2922 117.2299 57.5453 42.2484 180.6360 79 A 3.8478 7.5953 120.1696 54.4485 18.8477 179.6085 80 L 4.5883 7.8547 115.1809 55.6107 40.9935 177.7273 81 G 3.8664 9.6865 106.6984 46.6369 0.0000 174.1183 82 I 4.0604 7.4435 121.5156 60.2748 36.9211 174.1191 83 K 4.5192 7.8101 125.0382 57.6008 35.3235 174.9988 84 Q 4.2655 7.8195 118.1375 56.1633 29.9927 176.2329 85 V 4.5166 7.8631 114.5988 60.9777 36.0123 172.1463 86 A 4.9154 8.3080 121.7606 50.6874 22.4268 177.9512 87 F 4.7807 9.0706 124.3238 58.3797 41.7763 173.0228 88 D 4.0509 8.8369 116.0434 54.1642 43.5266 176.1624 89 R 4.2048 8.3369 118.3227 56.4936 30.1901 174.8941 90 G 3.7009 8.1955 111.2663 46.8915 0.0000 175.7646 91 P 4.7396 0.0000 0.0000 62.2282 30.6341 176.5448 92 Y 4.4420 8.1833 117.3168 60.1437 39.8675 176.9635 93 K 3.5556 9.0844 119.6023 62.3170 30.4825 174.6703 94 Y 4.1503 5.3700 119.8194 56.9053 39.0819 172.9047 95 H 3.6625 8.4551 130.5805 54.7535 32.1972 174.9318 96 G 3.7816 8.2380 104.9268 47.9625 0.0000 173.1972 97 R 4.4311 7.6699 117.3491 55.0378 30.6569 175.9299 98 V 4.5613 7.7396 119.1279 61.5947 33.4951 172.0322 99 K 4.6312 7.8775 117.2167 55.9410 33.2139 178.0929 100 A 4.5395 7.9639 120.2175 51.1162 17.2162 177.8479 101 L 4.6449 9.7341 121.6990 53.4453 45.4747 177.8022 102 A 4.3419 8.3535 120.5132 50.0924 16.7067 181.2204 103 E 3.4892 8.7890 111.3811 58.0927 30.7179 175.0524 104 G 3.9497 7.3248 110.7047 46.3354 0.0000 172.9066 105 A 4.6309 8.0084 123.1577 51.2517 19.6453 177.8569 106 R 4.4970 7.8504 113.0091 59.2905 29.2307 176.8967 107 E 4.0291 7.9902 121.7586 57.9317 29.3603 173.7157 108 G 2.7537 8.7248 117.6759 45.1289 0.0000 173.2567 *109 G 3.7078 7.6727 112.0203 45.7186 0.0000 172.0762 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 11 K 8.30 4.33 0.00 2.00 1.94 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 12 F 8.48 4.61 0.00 3.24 3.10 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 13 R 8.92 4.10 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 14 V 8.04 3.05 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 0.82 0.00 0.00 0.88 0.00 0.00 15 R 7.36 3.37 0.00 1.92 2.04 0.00 3.13 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 16 N 7.44 4.38 0.00 2.34 2.71 0.00 0.00 7.00 7.66 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 17 R 6.69 4.17 0.00 1.69 1.81 0.00 3.13 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 0.00 18 I 8.37 3.52 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.88 0.00 0.00 19 K 7.35 4.16 0.00 1.71 1.98 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 R 7.47 4.41 0.00 1.79 1.83 0.00 3.32 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 21 T 7.72 4.33 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 1.21 0.00 0.00 22 G 7.79 3.86 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 0.00 0.00 0.00 23 R 8.08 3.66 0.00 1.97 1.94 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 24 L 8.10 3.57 0.00 1.82 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.71 4.35 0.00 1.93 1.73 0.00 2.96 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 26 L 7.78 4.91 0.00 1.77 1.32 1.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.90 4.59 0.00 3.91 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 28 V 8.80 3.64 2.10 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 0.92 0.00 0.00 0.62 0.00 0.00 29 F 9.72 4.15 0.00 3.10 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 30 R 8.16 4.75 0.00 1.81 1.82 0.00 3.31 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 31 S 7.86 4.66 0.00 3.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.65 0.00 1.61 1.57 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.63 4.49 0.00 1.59 1.50 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 1.14 7.81 34 H 7.03 4.95 0.00 3.29 2.97 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.31 4.50 1.89 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 1.46 0.83 0.94 0.00 0.00 36 Y 9.33 5.64 0.00 2.93 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 37 A 8.37 5.00 1.25 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 38 Q 8.74 4.87 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 39 I 8.51 4.58 1.88 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 1.37 0.83 0.92 0.00 0.00 40 I 8.88 4.58 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.89 0.95 0.00 0.00 41 D 8.61 4.90 0.00 2.83 2.55 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 0.00 0.00 0.00 42 D 8.49 4.95 0.00 2.67 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 43 E 8.86 4.21 0.00 2.13 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 0.00 2.18 2.30 0.00 44 K 7.66 4.44 0.00 2.08 1.76 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 45 G 7.98 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 46 V 7.80 4.60 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 0.97 0.00 0.00 1.02 0.00 0.00 47 T 8.24 5.07 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 1.29 0.00 0.00 48 L 8.65 4.82 0.00 1.47 1.61 0.97 0.83 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 49 V 7.69 4.55 2.10 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 0.96 0.00 0.00 0.94 0.00 0.00 50 S 8.60 5.23 0.00 3.92 3.85 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 51 A 8.14 4.34 1.26 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 0.00 0.00 52 S 8.52 4.36 0.00 3.41 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 53 S 7.65 4.71 0.00 3.68 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 54 L 8.83 4.23 0.00 1.65 1.71 0.92 1.00 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 55 A 7.41 3.96 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 56 L 8.46 3.97 0.00 1.55 1.69 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.98 4.09 0.00 1.80 1.41 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.18 7.81 58 L 8.67 3.60 0.00 1.78 1.67 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.73 3.57 0.00 1.85 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.42 7.81 60 G 8.14 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 61 N 7.99 4.60 0.00 2.70 2.75 0.00 0.00 7.04 6.68 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 62 K 7.73 4.29 0.00 1.82 1.71 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 63 T 7.84 3.77 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 1.24 0.00 0.00 64 E 7.63 3.52 0.00 2.47 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 2.41 0.00 65 V 7.97 3.96 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 1.16 0.00 0.00 1.07 0.00 0.00 66 A 7.94 4.24 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 67 R 7.80 4.39 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 68 Q 8.22 4.00 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 69 V 7.89 3.86 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 0.96 0.00 0.00 70 G 8.37 3.63 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 0.00 0.00 0.00 71 R 8.20 3.86 0.00 2.00 2.05 0.00 3.13 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 72 A 7.99 3.96 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 73 L 8.48 3.91 0.00 1.83 1.78 0.95 0.90 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 74 A 9.09 3.30 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 75 E 7.76 3.87 0.00 2.04 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 2.34 2.56 0.00 76 K 8.29 3.92 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 77 A 10.30 3.92 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 78 L 8.29 3.91 0.00 1.72 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.60 3.85 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 80 L 7.85 4.59 0.00 1.75 1.75 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 G 9.69 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 82 I 7.44 4.06 1.88 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 1.31 1.42 0.92 0.00 0.00 83 K 7.81 4.52 0.00 1.74 1.60 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 Q 7.82 4.27 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 V 7.86 4.52 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 0.71 0.00 0.00 1.03 0.00 0.00 86 A 8.31 4.92 1.20 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 87 F 9.07 4.78 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.05 0.00 2.53 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 0.00 0.00 0.00 0.00 89 R 8.34 4.20 0.00 1.76 2.44 0.00 3.49 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 90 G 8.20 3.70 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 0.00 0.00 0.00 91 P 0.00 4.74 0.00 2.38 2.41 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 92 Y 8.18 4.44 0.00 3.20 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 93 K 9.08 3.56 0.00 1.82 2.02 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 94 Y 5.37 4.15 0.00 2.75 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 95 H 8.46 3.66 0.00 3.25 2.84 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.24 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 97 R 7.67 4.43 0.00 2.10 2.12 0.00 3.02 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 98 V 7.74 4.56 2.42 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 0.71 0.00 0.00 0.66 0.00 0.00 99 K 7.88 4.63 0.00 1.84 1.86 0.00 1.79 0.00 0.00 2.04 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.58 7.81 100 A 7.96 4.54 1.24 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 0.00 0.00 0.00 101 L 9.73 4.64 0.00 1.61 1.56 0.92 0.97 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 0.00 102 A 8.35 4.34 1.18 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 0.00 0.00 103 E 8.79 3.49 0.00 2.05 1.87 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 2.24 2.24 0.00 104 G 7.32 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 0.00 105 A 8.01 4.63 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 0.00 106 R 7.85 4.50 0.00 2.05 2.19 0.00 2.32 0.00 0.00 3.90 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 107 E 7.99 4.03 0.00 1.97 2.32 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 2.10 2.22 0.00 108 G 8.72 2.75 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 *109 G 7.67 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.