NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4900 8.3049 118.1944 55.2501 32.5589 173.9274 2 V 4.4131 7.8190 111.1436 58.2481 35.6106 173.1629 3 Q 4.6174 8.3668 118.3225 55.5531 32.2334 173.3822 4 Q 4.5115 8.0566 118.0186 54.8233 31.9850 173.8023 5 K 4.2861 8.5629 125.0161 56.1323 32.9248 176.7358 6 V 4.4976 8.0095 115.5967 59.4424 35.5375 174.2667 7 E 4.3500 8.4816 122.6029 54.3965 30.4609 175.7860 8 V 3.7170 8.3874 126.3971 63.2857 31.2907 175.4775 9 R 4.4787 8.3371 125.6070 55.9056 31.0879 176.8645 10 L 4.2513 7.5245 117.8222 54.1245 42.3601 176.7062 11 K 4.3702 8.3885 120.5950 56.8107 32.7845 176.4865 12 T 4.7306 8.3773 113.0511 60.3588 72.7112 172.4054 13 G 4.5084 8.2727 107.9181 45.0878 0.0000 172.7037 14 L 4.1255 8.5065 119.6091 55.1577 42.2125 178.4860 15 Q 4.2381 8.4961 120.8649 55.1407 30.7437 177.1779 16 A 3.9741 8.5898 123.9274 55.6782 18.2419 180.2316 17 R 3.8375 7.9201 116.1260 59.3134 30.3802 176.7686 18 P 4.6584 0.0000 0.0000 64.9490 31.3215 178.5286 19 A 4.0748 8.1733 119.5322 55.0986 18.3440 179.5498 20 A 4.0049 8.2785 119.5923 55.3747 18.4649 179.9147 21 L 3.9684 8.4420 117.8352 57.4612 41.5735 179.4847 22 F 3.2235 8.2994 120.8975 61.0935 39.3345 177.4066 23 V 3.7355 8.1426 117.9022 66.0938 31.0767 177.9436 24 Q 3.9600 7.9228 117.0662 58.8711 28.9392 178.1718 25 E 3.8996 8.0054 120.1223 59.1270 29.5710 178.7309 26 A 4.1135 8.0184 121.2190 55.1479 18.1967 179.2429 27 N 4.2772 8.3247 114.4240 55.9903 38.6391 176.9996 28 R 3.9037 7.4115 117.3964 56.3350 30.4854 176.1766 29 F 5.0772 7.3414 117.7877 55.6064 41.7466 175.7360 30 T 4.1720 9.1153 113.6659 64.0179 69.0051 175.7687 31 S 4.4860 8.2171 118.8517 58.7608 64.1289 173.6993 32 D 4.6347 9.0339 123.1963 54.0972 42.2923 175.6847 33 V 4.9120 7.6900 120.2272 61.3277 35.3195 174.1019 34 F 5.5116 9.6079 124.4470 55.9006 44.0123 173.3910 35 L 5.3265 8.8498 119.6896 53.0918 45.2660 175.4751 36 E 5.2057 9.2686 123.3434 54.5685 33.7305 174.2667 37 K 4.6025 9.3024 126.3664 55.9719 36.0593 175.4298 38 D 4.5395 9.6820 128.0516 55.5113 38.1946 174.5691 39 G 3.9180 8.0791 103.7070 45.3319 0.0000 172.3529 40 K 4.5435 7.9857 121.4804 54.0973 34.1897 174.3545 41 K 5.1114 8.5271 126.3302 54.7633 34.9191 175.2573 42 V 4.6620 8.8365 119.4433 59.2263 36.1328 174.4616 43 N 4.7060 8.8357 121.5310 53.3797 38.7916 174.6849 44 A 4.0563 8.7156 128.5506 52.4380 18.7252 178.0808 45 K 4.2814 8.0081 117.9256 55.0992 31.1520 176.1721 *47 I 4.2575 7.4360 123.8119 61.7005 39.5614 178.7159 48 M 4.1493 8.2000 117.9116 58.2217 31.9966 178.6871 49 G 3.7303 7.9939 105.3631 47.7072 0.0000 175.1769 50 L 3.8741 7.8678 122.8265 58.1846 41.9054 178.7895 51 M 4.1721 8.1540 117.0931 57.5266 31.9359 178.2470 52 S 4.3292 7.7291 113.6772 59.0925 63.6975 174.2986 53 L 3.8996 7.0367 124.9431 54.4630 42.2082 175.9070 54 A 4.3734 8.5089 127.8996 52.3110 18.3601 176.5295 55 V 4.5443 8.6655 120.8404 62.0998 35.2615 174.8888 56 S 4.8583 8.3823 120.4476 56.5044 67.0666 173.7801 57 T 4.0599 8.4997 119.7887 65.4387 68.6074 174.7954 58 G 3.9313 8.9976 114.4329 45.4000 0.0000 173.4317 59 T 4.2800 7.3707 113.6192 61.2252 68.3531 173.2930 60 E 4.5935 8.3440 123.9729 55.2825 30.9232 176.0257 61 V 4.6326 7.9480 114.2214 60.1774 36.5221 174.5381 62 T 4.5581 8.9723 119.1959 61.9052 70.4585 173.5471 63 L 4.9217 8.5752 128.9556 54.2181 43.6086 175.6713 64 I 4.8762 9.1268 126.0234 59.5384 41.1355 174.2568 65 A 5.3774 8.6723 126.9223 50.2855 22.3323 175.3624 66 Q 4.6474 9.7130 119.6588 53.6409 32.3702 175.5096 67 G 4.3980 8.8354 111.2258 44.4949 0.0000 172.2514 68 E 3.9351 8.5962 120.1541 58.8520 29.5974 177.6590 69 D 5.1087 7.9165 116.9494 52.9559 40.3127 177.8816 70 E 3.8304 8.0700 121.1583 60.6418 29.3492 178.2734 71 Q 3.8824 7.9635 119.8336 58.9394 29.2204 177.9951 72 E 3.9085 8.0542 118.8496 59.1421 29.4715 179.0400 73 A 2.0000 7.6485 120.9759 54.3373 18.3682 179.3034 74 L 3.7876 7.9223 119.2074 58.4190 42.1933 179.0918 75 E 3.9489 7.8879 118.0279 59.2380 29.3764 179.3524 76 K 3.9673 7.8367 119.6147 59.5815 32.2437 178.9897 77 L 3.9312 8.1033 119.3255 57.4343 41.4658 179.3091 78 A 4.0418 8.6099 121.1729 55.0368 18.2903 179.5098 79 A 3.9577 8.0069 119.2375 55.3643 18.3168 179.2398 80 Y 3.9632 7.9874 118.0315 60.9863 38.7277 178.5004 81 V 3.6309 8.1440 118.0190 65.5579 31.6589 176.9386 82 Q 4.3428 7.8612 115.1746 54.3089 29.5843 175.4518 83 E 3.7636 7.6675 118.1995 58.0546 27.5514 174.4933 84 E 4.7524 8.5942 110.9769 55.8106 31.0831 177.4548 85 V 3.7747 7.9170 117.7466 62.9968 32.5142 175.4332 86 L 4.2856 8.4092 124.7319 55.0090 41.6712 176.5284 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 M 8.30 4.49 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 V 7.82 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 3 Q 8.37 4.62 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 4 Q 8.06 4.51 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 5 K 8.56 4.29 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.45 7.81 6 V 8.01 4.50 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 0.76 0.00 0.00 0.93 0.00 0.00 7 E 8.48 4.35 0.00 1.91 1.84 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 2.22 2.27 0.00 8 V 8.39 3.72 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 0.85 0.00 0.00 0.93 0.00 0.00 9 R 8.34 4.48 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 10 L 7.52 4.25 0.00 1.63 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.39 4.37 0.00 1.64 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 12 T 8.38 4.73 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 13 G 8.27 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 4.13 0.00 1.61 1.63 0.79 0.88 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 15 Q 8.50 4.24 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 16 A 8.59 3.97 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 17 R 7.92 3.84 0.00 1.96 1.97 0.00 3.28 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 18 P 0.00 4.66 0.00 2.27 2.17 0.00 4.12 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 19 A 8.17 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 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 21 L 8.44 3.97 0.00 1.84 1.70 1.02 1.08 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 22 F 8.30 3.22 0.00 3.43 3.22 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 23 V 8.14 3.74 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 1.14 0.00 0.00 1.19 0.00 0.00 24 Q 7.92 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 25 E 8.01 3.90 0.00 1.78 1.64 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 2.16 2.27 0.00 26 A 8.02 4.11 1.31 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 0.00 0.00 0.00 27 N 8.32 4.28 0.00 2.81 2.85 0.00 0.00 7.08 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 28 R 7.41 3.90 0.00 1.22 1.37 0.00 2.88 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 29 F 7.34 5.08 0.00 3.08 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 30 T 9.12 4.17 4.27 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 0.00 0.00 0.00 1.23 0.00 0.00 31 S 8.22 4.49 0.00 3.82 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 32 D 9.03 4.63 0.00 2.72 2.41 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 33 V 7.69 4.91 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 1.34 0.00 0.00 0.95 0.00 0.00 34 F 9.61 5.51 0.00 2.98 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 35 L 8.85 5.33 0.00 1.54 1.50 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.27 5.21 0.00 1.99 1.73 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 2.19 2.31 0.00 37 K 9.30 4.60 0.00 1.79 1.58 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.56 7.81 38 D 9.68 4.54 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 3.92 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 0.00 0.00 0.00 40 K 7.99 4.54 0.00 1.82 1.79 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 41 K 8.53 5.11 0.00 1.73 1.59 0.00 1.40 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.34 1.63 7.81 42 V 8.84 4.66 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 0.69 0.00 0.00 1.01 0.00 0.00 43 N 8.84 4.71 0.00 2.78 2.76 0.00 0.00 7.00 7.96 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 44 A 8.72 4.06 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 45 K 8.01 4.28 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.33 7.81 *47 I 7.44 4.26 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 1.44 0.75 0.92 0.00 0.00 48 M 8.20 4.15 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 49 G 7.99 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 0.00 0.00 0.00 50 L 7.87 3.87 0.00 1.67 1.81 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.15 4.17 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.74 0.00 52 S 7.73 4.33 0.00 4.04 4.10 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 53 L 7.04 3.90 0.00 1.60 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.51 4.37 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 55 V 8.67 4.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 56 S 8.38 4.86 0.00 3.76 3.67 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 0.00 0.00 0.00 57 T 8.50 4.06 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 1.19 0.00 0.00 58 G 9.00 3.93 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 0.00 0.00 0.00 59 T 7.37 4.28 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 60 E 8.34 4.59 0.00 1.99 1.85 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 2.25 2.26 0.00 61 V 7.95 4.63 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 0.71 0.00 0.00 0.94 0.00 0.00 62 T 8.97 4.56 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 1.23 0.00 0.00 63 L 8.58 4.92 0.00 1.72 1.62 1.22 1.12 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 64 I 9.13 4.88 2.10 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 1.21 0.59 1.04 0.00 0.00 65 A 8.67 5.38 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 66 Q 9.71 4.65 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 67 G 8.84 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 3.94 0.00 1.96 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 2.33 0.00 69 D 7.92 5.11 0.00 3.08 2.94 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 70 E 8.07 3.83 0.00 2.33 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 0.00 2.39 2.32 0.00 71 Q 7.96 3.88 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 72 E 8.05 3.91 0.00 2.23 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 2.47 2.45 0.00 73 A 7.65 2.00 0.78 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 74 L 7.92 3.79 0.00 1.77 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.89 3.95 0.00 2.17 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 2.31 2.46 0.00 76 K 7.84 3.97 0.00 1.96 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.65 7.81 77 L 8.10 3.93 0.00 1.68 1.56 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.61 4.04 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 79 A 8.01 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 3.96 0.00 3.28 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 81 V 8.14 3.63 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 0.93 0.00 0.00 1.40 0.00 0.00 82 Q 7.86 4.34 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 83 E 7.67 3.76 0.00 2.05 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 2.07 2.15 0.00 84 E 8.59 4.75 0.00 1.86 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 2.22 2.44 0.00 85 V 7.92 3.77 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 0.85 0.00 0.00 1.09 0.00 0.00 86 L 8.41 4.29 0.00 1.69 1.57 0.93 0.91 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.