NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2378 8.4444 121.4673 56.1579 30.6888 174.4981 2 T 4.2568 8.4908 120.4318 59.7934 69.4889 171.3507 3 S 4.8470 9.0886 125.6773 56.8293 66.5590 172.5549 4 Y 4.7942 8.3288 119.5230 56.6254 41.0143 175.3432 5 T 4.8213 8.3006 118.5763 62.0339 72.7493 173.2210 6 L 4.6873 8.2176 124.5568 53.8270 45.2092 174.8724 7 N 5.1280 8.5892 122.0077 51.5615 42.2659 173.2614 8 E 4.6180 8.3454 120.8856 54.4568 32.9557 174.6435 9 V 3.9322 8.3081 124.1008 61.9072 31.7427 175.9106 10 V 4.4345 8.1882 126.9146 59.2033 33.0824 174.3410 11 P 4.6026 0.0000 0.0000 61.3077 29.8503 176.3350 12 L 4.2391 8.5385 127.8784 58.5586 41.5575 178.5036 13 K 4.0794 7.8880 116.2115 58.8656 32.7071 178.1118 14 E 3.8976 7.8991 119.3200 57.6018 29.4401 176.9002 15 F 4.8300 7.8274 116.5720 58.4267 41.0323 176.3026 16 V 4.3196 7.5008 111.2545 58.9265 33.1913 173.6059 17 P 4.6089 0.0000 0.0000 62.2023 31.9976 176.7951 18 E 4.0180 8.7696 118.4728 58.3948 29.5243 177.7979 19 W 4.7570 8.0677 117.2945 54.8700 31.3067 175.3596 20 V 4.6653 8.2801 114.3273 59.8084 35.2898 174.7321 21 R 4.6697 8.4368 119.9627 54.3848 32.4449 175.7280 22 I 4.4400 7.8265 114.0516 58.8523 40.3295 175.5175 23 G 3.7753 7.0833 106.4385 46.0485 0.0000 172.0698 24 F 4.9299 8.3347 116.6235 55.6286 42.4885 174.3699 25 S 4.7048 8.4707 115.9644 56.6495 65.4520 173.1850 26 A 4.5524 8.2437 127.5613 50.9672 21.8456 175.4903 27 T 4.7728 8.1652 111.3375 59.9043 72.1473 172.7703 28 T 4.9678 8.2413 110.6576 60.0375 73.4054 175.5181 29 G 4.2342 8.6485 111.0760 45.8850 0.0000 174.5220 30 A 4.1612 9.3859 126.2079 53.8927 19.0045 178.5113 31 E 4.6951 7.9357 114.2822 54.9454 31.9322 174.5054 32 F 4.9550 7.0196 113.7983 56.0845 40.7585 173.1041 33 A 4.4309 8.0183 123.7135 52.0940 20.7273 175.7988 34 A 4.3479 8.3578 123.1009 51.7185 19.6268 177.0919 35 H 4.7919 8.6303 118.3276 54.0221 31.2971 173.0791 36 E 4.7067 8.5266 122.7384 54.2984 33.3202 175.1886 37 V 4.2194 7.9245 119.3642 61.1813 34.0280 175.4117 38 L 4.3977 8.4991 126.5348 56.4255 42.4769 176.6997 39 S 4.7818 7.6021 109.8292 57.2415 65.3848 173.5737 40 W 5.5266 8.6359 130.7484 56.4837 33.4617 173.2781 41 Y 4.8831 8.9686 125.7957 55.8433 41.3000 174.0325 42 F 4.3928 7.2526 125.7871 56.9160 42.5289 173.3093 43 H 4.2541 6.9572 125.4296 54.7120 32.2037 172.6422 44 S 4.4091 7.8595 120.6756 56.3566 65.5836 173.6942 45 E 4.1526 8.2092 122.0550 55.0709 30.6184 174.1539 46 L 4.3020 8.1961 128.9275 52.6339 42.9723 175.7461 47 A 3.8601 8.5347 130.0882 53.3321 18.5157 178.1406 48 G 4.0079 8.9288 116.7423 46.4458 0.0000 173.0000 49 T 4.3064 7.6186 110.3727 59.7397 68.7153 173.2197 50 S 4.6594 8.0708 123.8349 57.1851 64.4351 174.6811 *51 S 4.3918 8.5235 122.7019 59.0304 62.8657 173.0039 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 E 8.44 4.24 0.00 1.93 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 2.17 2.30 0.00 2 T 8.49 4.26 4.18 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 1.23 0.00 0.00 3 S 9.09 4.85 0.00 3.78 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 4 Y 8.33 4.79 0.00 2.89 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 5 T 8.30 4.82 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 1.24 0.00 0.00 6 L 8.22 4.69 0.00 1.56 1.51 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.59 5.13 0.00 2.71 2.66 0.00 0.00 6.74 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 8 E 8.35 4.62 0.00 1.85 1.76 0.00 0.00 0.00 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 2.35 0.00 9 V 8.31 3.93 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 0.92 0.00 0.00 0.95 0.00 0.00 10 V 8.19 4.43 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 0.88 0.00 0.00 0.99 0.00 0.00 11 P 0.00 4.60 0.00 2.16 2.27 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 12 L 8.54 4.24 0.00 1.75 1.86 0.97 0.97 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 13 K 7.89 4.08 0.00 1.85 1.89 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 14 E 7.90 3.90 0.00 1.16 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 2.12 2.14 0.00 15 F 7.83 4.83 0.00 3.02 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 16 V 7.50 4.32 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 0.81 0.00 0.00 1.04 0.00 0.00 17 P 0.00 4.61 0.00 2.35 2.07 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 E 8.77 4.02 0.00 2.02 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 2.25 2.32 0.00 19 W 8.07 4.76 0.00 3.23 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 20 V 8.28 4.67 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 0.78 0.00 0.00 0.94 0.00 0.00 21 R 8.44 4.67 0.00 1.77 1.80 0.00 3.16 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 22 I 7.83 4.44 1.74 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.71 0.00 0.00 23 G 7.08 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 24 F 8.33 4.93 0.00 2.81 2.68 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 25 S 8.47 4.70 0.00 3.76 3.66 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 0.00 0.00 0.00 0.00 26 A 8.24 4.55 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.77 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 1.20 0.00 0.00 28 T 8.24 4.97 4.53 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 1.36 0.00 0.00 29 G 8.65 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 0.00 0.00 0.00 0.00 30 A 9.39 4.16 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 31 E 7.94 4.70 0.00 1.99 1.71 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 2.29 2.24 0.00 32 F 7.02 4.96 0.00 3.03 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 33 A 8.02 4.43 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 34 A 8.36 4.35 1.23 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 0.00 0.00 0.00 35 H 8.63 4.79 0.00 3.04 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.53 4.71 0.00 1.84 1.74 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 2.16 2.22 0.00 37 V 7.92 4.22 1.70 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 0.53 0.00 0.00 0.05 0.00 0.00 38 L 8.50 4.40 0.00 1.65 1.71 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.60 4.78 0.00 4.05 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 40 W 8.64 5.53 0.00 3.28 3.19 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 0.00 41 Y 8.97 4.88 0.00 2.95 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 42 F 7.25 4.39 0.00 2.48 2.31 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 43 H 6.96 4.25 0.00 2.75 2.85 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.86 4.41 0.00 3.89 3.69 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 45 E 8.21 4.15 0.00 1.76 1.75 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 2.18 2.32 0.00 46 L 8.20 4.30 0.00 1.49 1.46 0.83 0.95 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 47 A 8.53 3.86 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 48 G 8.93 4.01 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 0.00 0.00 0.00 49 T 7.62 4.31 4.20 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 1.25 0.00 0.00 50 S 8.07 4.66 0.00 3.87 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 S 8.52 4.39 0.00 3.61 3.53 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 * Residues marked with a * may have inaccurate shift predictions.