NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2974 8.2729 122.1576 54.7408 33.0088 177.2292 3 N 4.6743 9.3912 110.9831 52.4666 37.2379 178.2682 4 F 4.7718 8.7713 123.0605 61.7214 40.3086 176.7459 5 L 4.2743 7.9039 118.4970 57.9259 41.3464 179.1733 6 E 4.0425 8.2928 117.8078 58.5889 29.6225 177.6220 7 T 4.3636 8.9509 107.8038 60.9010 69.6406 174.2246 8 I 4.2845 7.0354 123.5796 59.9269 38.4212 175.9975 9 E 4.2211 8.7329 124.6399 59.4560 30.7712 177.9506 10 D 4.9667 7.3642 121.9515 53.7431 40.0120 179.0620 *12 I 4.1984 8.3890 129.6675 62.1730 38.5662 173.0682 13 L 5.2287 8.8272 125.4659 53.0740 46.3140 175.2987 14 I 4.9692 8.5877 123.3274 59.6938 39.7049 174.6656 15 I 5.0137 8.8096 128.1749 59.4320 40.6520 175.2718 16 N 5.1509 9.0339 124.3022 51.2989 39.3461 175.8915 17 R 2.6516 8.6502 118.6268 58.7698 29.8603 176.6509 18 E 4.1760 8.4959 115.3995 56.5438 29.9581 177.0134 19 G 3.7847 8.7653 108.7891 45.0541 0.0000 173.1558 20 R 4.3648 7.7958 118.8436 54.7457 31.1370 175.8732 21 L 4.6084 8.2002 122.5979 54.3472 40.9885 176.8801 22 L 4.0682 8.2661 124.3419 55.3159 42.2001 176.4048 23 Y 4.5431 7.0535 117.5126 57.3452 41.8285 171.9550 24 A 5.0046 6.8248 122.8763 51.8082 22.2587 175.0900 25 N 4.8242 8.0161 116.8620 51.0710 40.2988 176.0002 26 T 3.7649 8.6271 115.0224 66.8206 68.9879 176.3316 27 A 4.0900 8.0151 122.9378 54.8119 18.4636 179.6639 28 V 3.5115 7.8609 116.9039 65.6197 31.5270 176.6016 29 P 4.2432 0.0000 0.0000 65.4915 31.1006 177.9751 30 K 3.7860 7.3476 115.5809 60.1309 32.1230 178.5913 31 K 4.1349 8.2533 117.1631 58.3317 32.3580 178.4186 32 L 4.4528 7.9608 118.0057 54.0153 42.1736 178.2519 33 G 3.8697 8.4486 107.4221 45.6879 0.0000 173.4836 34 Y 4.5589 7.4042 116.0883 57.7868 39.3780 174.3157 35 T 4.7740 8.2274 115.5625 61.9591 71.6642 175.0986 36 H 4.0341 8.9214 123.3983 59.5104 30.2170 176.5730 37 E 4.0830 8.3289 117.5413 59.6593 29.4400 178.2222 38 E 4.0413 8.0814 116.2771 59.4737 29.7741 178.8809 39 L 3.6019 8.0601 120.4262 55.3380 42.5826 178.0260 *41 S 4.0957 7.8892 109.5184 58.5506 64.6137 173.8180 *43 H 4.5173 7.8948 118.2172 55.6490 31.0773 173.3742 44 I 3.6647 8.8740 126.7130 64.3718 37.6389 178.3658 45 L 4.1825 8.1889 120.5397 57.3564 41.1830 179.4375 46 T 3.8671 7.5888 115.2803 66.7016 68.7872 176.4179 47 I 4.0312 7.8133 121.3182 63.2450 36.8551 177.1991 48 T 4.4432 7.7451 108.6834 62.9458 70.1286 177.5619 49 S 4.5079 8.1124 118.4857 56.8775 63.5789 176.3169 50 A 3.9994 8.2613 125.7627 54.8481 18.2152 179.5882 51 G 3.9369 8.0355 102.6072 45.7534 0.0000 173.9384 52 K 5.0058 8.1570 118.1625 53.7663 35.1308 176.6580 *54 A 4.2476 8.4954 124.8968 52.4495 20.5413 178.6165 55 E 4.0473 8.3253 114.9555 59.8034 29.4558 179.7640 56 G 3.9644 8.4265 107.1913 47.1934 0.0000 175.2141 57 E 3.9701 8.1430 121.0433 59.0353 29.7380 178.7818 58 K 3.9404 7.9563 118.2402 59.5955 32.0987 179.3767 59 I 3.6792 7.5601 119.8161 64.2797 37.1590 178.0595 60 L 3.9845 8.2467 121.2393 58.2628 41.7909 178.7871 61 A 4.1474 8.3896 120.8056 55.4364 18.3362 179.4805 62 E 3.9739 8.1802 116.9801 59.6139 29.3249 179.6337 63 L 3.9805 8.2214 118.3237 57.5527 41.6577 179.1159 64 F 4.1934 7.9117 116.1400 59.7632 38.9980 177.3598 65 A 4.2977 7.7421 120.3642 53.8579 18.2268 178.4416 66 G 4.3418 8.3865 115.9843 46.1545 0.0000 174.9148 67 K 4.0126 7.6031 121.6579 58.8797 32.4888 176.1946 68 K 4.6990 7.5858 114.7800 54.6446 35.9962 175.5617 69 E 4.5960 8.5354 118.9315 56.3697 32.4415 175.6693 70 S 5.0524 7.5285 112.0461 56.9254 66.5355 173.1772 71 L 4.4904 8.1579 118.1790 54.4969 43.6251 171.9172 72 P 4.9869 0.0000 0.0000 62.5241 32.8617 174.7222 73 L 4.9451 9.2443 120.8705 53.2951 46.8571 175.6369 74 S 4.8309 8.4806 114.7904 57.1737 66.1981 174.2964 75 L 4.6860 8.7075 126.8273 52.8445 42.6381 175.7769 76 E 4.3300 8.5900 126.3526 56.0249 30.1421 177.1118 77 K 4.2603 8.4426 126.6402 54.8692 33.4266 177.7675 78 K 3.4137 7.1591 121.6263 59.2071 32.0610 177.8680 79 E 3.9327 7.8425 116.1189 58.8983 29.5908 176.9317 80 G 4.0784 7.9062 108.6877 45.9460 0.0000 174.4369 81 T 4.2125 7.4525 117.0903 63.2434 69.5750 174.7180 82 S 5.1468 8.9074 122.2170 57.2083 64.4919 173.3869 83 I 4.5971 8.0902 116.9126 58.2673 39.9259 173.2532 84 P 4.9253 0.0000 0.0000 63.2209 32.9391 174.8553 85 A 4.7666 8.7117 122.2519 51.4171 23.7037 174.6998 86 K 4.8948 9.0549 119.3542 54.7338 35.7990 174.6905 87 A 4.9946 9.2021 128.8705 50.1542 21.9185 175.2778 88 R 4.7248 8.8924 121.5674 54.1509 32.5492 175.1727 89 I 5.0204 8.2608 117.9050 58.7974 40.1440 175.1022 90 W 5.1200 9.6268 123.2631 55.1903 33.3585 174.3436 91 Q 4.6025 8.9514 121.9702 55.6454 29.9014 175.4800 92 G 4.2597 8.8128 108.3379 45.8369 0.0000 171.6517 93 K 5.2613 8.7159 118.0583 54.2133 35.6088 175.5966 94 W 4.6548 9.2124 132.1262 56.8647 32.8154 174.9044 95 H 4.1217 9.3694 122.0180 57.0798 25.8003 175.0220 96 N 4.4895 8.6164 112.5210 53.6241 35.9134 173.8445 97 E 4.8027 8.3295 118.2365 53.4236 32.5377 173.6085 98 P 5.0223 0.0000 0.0000 63.7389 31.9105 175.2746 99 C 5.3611 9.6405 118.4235 56.9020 34.0794 172.4486 100 L 4.9170 9.1170 119.6352 53.0147 43.8003 175.3803 101 F 5.4202 10.1171 127.0844 56.6408 41.3259 174.0811 102 A 5.1235 8.8280 128.1796 50.0649 22.2079 174.4468 103 I 4.4765 8.8281 123.3357 59.5674 39.7546 174.6803 104 I 4.8945 8.3627 127.7791 59.2828 39.6132 174.8934 105 K 4.6902 9.0026 127.8220 54.5784 34.5980 174.3668 106 D 4.7560 8.6835 127.4499 53.7512 41.8720 175.8323 107 L 4.3291 8.3787 125.5453 54.9482 41.4037 176.8181 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 8.27 4.30 0.00 1.70 1.60 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 3 N 9.39 4.67 0.00 2.82 2.72 0.00 0.00 6.54 6.55 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 4 F 8.77 4.77 0.00 3.09 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 5 L 7.90 4.27 0.00 1.80 1.79 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.29 4.04 0.00 2.06 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 2.46 0.00 7 T 8.95 4.36 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 1.37 0.00 0.00 8 I 7.04 4.28 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.23 0.89 0.00 0.00 9 E 8.73 4.22 0.00 1.95 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 2.31 2.28 0.00 10 D 7.36 4.97 0.00 2.65 1.80 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 *12 I 8.39 4.20 2.10 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 1.26 1.08 0.98 0.00 0.00 13 L 8.83 5.23 0.00 1.47 1.45 0.87 0.88 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 14 I 8.59 4.97 1.62 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.49 0.00 0.00 15 I 8.81 5.01 1.86 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 1.24 0.64 0.96 0.00 0.00 16 N 9.03 5.15 0.00 2.84 2.96 0.00 0.00 6.44 7.32 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 17 R 8.65 2.65 0.00 1.35 1.72 0.00 2.82 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 18 E 8.50 4.18 0.00 2.11 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 2.26 2.20 0.00 19 G 8.77 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 20 R 7.80 4.36 0.00 1.94 1.79 0.00 3.24 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 21 L 8.20 4.61 0.00 1.51 1.52 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.27 4.07 0.00 0.63 0.55 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.05 4.54 0.00 2.83 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 24 A 6.82 5.00 0.98 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 0.00 0.00 25 N 8.02 4.82 0.00 2.91 3.10 0.00 0.00 6.02 7.22 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 26 T 8.63 3.76 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 1.20 0.00 0.00 27 A 8.02 4.09 1.30 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 28 V 7.86 3.51 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 1.01 0.00 0.00 0.99 0.00 0.00 29 P 0.00 4.24 0.00 2.21 2.22 0.00 3.81 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 2.11 2.15 0.00 30 K 7.35 3.79 0.00 1.92 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 31 K 8.25 4.13 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.63 7.81 32 L 7.96 4.45 0.00 2.16 1.85 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.45 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 Y 7.40 4.56 0.00 2.98 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 35 T 8.23 4.77 4.38 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 1.28 0.00 0.00 36 H 8.92 4.03 0.00 3.05 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.33 4.08 0.00 1.98 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 2.33 2.41 0.00 38 E 8.08 4.04 0.00 2.10 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 2.33 2.35 0.00 39 L 8.06 3.60 0.00 1.69 1.61 0.78 1.10 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 *41 S 7.89 4.10 0.00 3.94 3.89 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 *43 H 7.89 4.52 0.00 3.16 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 3.66 1.89 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 1.50 1.05 0.93 0.00 0.00 45 L 8.19 4.18 0.00 1.80 1.67 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.59 3.87 4.38 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 1.19 0.00 0.00 47 I 7.81 4.03 1.99 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 1.69 1.06 0.97 0.00 0.00 48 T 7.75 4.44 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 49 S 8.11 4.51 0.00 3.88 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 50 A 8.26 4.00 1.41 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 0.00 0.00 51 G 8.04 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 0.00 0.00 0.00 0.00 52 K 8.16 5.01 0.00 1.79 1.93 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.30 7.81 *54 A 8.50 4.25 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 55 E 8.33 4.05 0.00 2.26 2.02 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 2.40 2.45 0.00 56 G 8.43 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 57 E 8.14 3.97 0.00 2.06 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 0.00 2.39 2.43 0.00 58 K 7.96 3.94 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.64 7.81 59 I 7.56 3.68 2.03 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 1.61 0.88 0.90 0.00 0.00 60 L 8.25 3.98 0.00 1.92 1.95 1.03 1.66 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 61 A 8.39 4.15 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 62 E 8.18 3.97 0.00 2.29 2.02 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 2.34 2.56 0.00 63 L 8.22 3.98 0.00 1.66 1.54 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.91 4.19 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 65 A 7.74 4.30 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 66 G 8.39 4.34 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 0.00 67 K 7.60 4.01 0.00 1.71 2.02 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.56 7.81 68 K 7.59 4.70 0.00 1.68 1.71 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.34 7.81 69 E 8.54 4.60 0.00 1.69 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 2.14 2.16 0.00 70 S 7.53 5.05 0.00 3.75 3.59 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 71 L 8.16 4.49 0.00 1.67 1.68 0.88 0.85 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 72 P 0.00 4.99 0.00 2.07 2.06 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 73 L 9.24 4.95 0.00 1.51 1.54 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.48 4.83 0.00 3.69 3.74 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 75 L 8.71 4.69 0.00 1.61 1.65 0.92 0.53 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 76 E 8.59 4.33 0.00 2.05 1.92 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 2.33 2.45 0.00 77 K 8.44 4.26 0.00 1.69 1.66 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.46 7.81 78 K 7.16 3.41 0.00 0.79 1.34 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.48 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.31 7.81 79 E 7.84 3.93 0.00 2.04 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 2.30 2.26 0.00 80 G 7.91 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 81 T 7.45 4.21 4.70 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 1.19 0.00 0.00 82 S 8.91 5.15 0.00 3.75 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 83 I 8.09 4.60 1.86 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 1.60 0.87 0.89 0.00 0.00 84 P 0.00 4.93 0.00 2.13 2.21 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 85 A 8.71 4.77 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 86 K 9.05 4.89 0.00 1.76 1.58 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.32 7.81 87 A 9.20 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.89 4.72 0.00 1.82 1.34 0.00 3.16 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 89 I 8.26 5.02 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.40 0.76 0.00 0.00 90 W 9.63 5.12 0.00 3.57 3.08 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 91 Q 8.95 4.60 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 92 G 8.81 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 0.00 0.00 0.00 0.00 93 K 8.72 5.26 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 94 W 9.21 4.65 0.00 3.35 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 95 H 9.37 4.12 0.00 3.42 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.62 4.49 0.00 2.92 3.00 0.00 0.00 6.92 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 97 E 8.33 4.80 0.00 2.19 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 2.28 2.44 0.00 98 P 0.00 5.02 0.00 2.02 2.22 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 99 C 9.64 5.36 0.00 3.19 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 0.00 100 L 9.12 4.92 0.00 1.32 1.46 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 F 10.12 5.42 0.00 2.99 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 0.00 102 A 8.83 5.12 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 0.00 103 I 8.83 4.48 2.05 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 0.82 0.51 0.90 0.00 0.00 104 I 8.36 4.89 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 1.18 0.52 0.89 0.00 0.00 105 K 9.00 4.69 0.00 1.90 1.63 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 106 D 8.68 4.76 0.00 2.72 2.56 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 0.00 107 L 8.38 4.33 0.00 1.58 1.55 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.