NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3153 8.2649 123.5821 51.9259 20.6619 177.5498 3 K 4.0434 7.8302 113.4273 55.5266 32.8888 175.0067 4 R 4.4641 8.3380 120.8366 54.0782 32.2257 176.1191 5 V 3.6677 8.2491 122.6673 62.3934 32.1686 175.5760 6 A 4.2682 8.2223 127.2734 51.9178 18.9551 177.6060 7 D 4.4557 8.6129 119.3099 57.3170 41.0662 176.8434 8 A 4.5149 7.3369 118.2955 50.7864 21.9746 175.0664 9 Q 4.1995 8.4583 121.4940 55.1223 29.2744 175.8673 10 I 4.1111 8.1346 119.5057 60.7428 38.7790 175.2762 11 Q 4.6083 8.2553 120.4078 53.8041 32.6220 176.0700 12 R 3.9272 8.9066 121.5242 59.7882 30.2098 177.8107 13 E 4.1583 8.3308 115.7726 58.9525 29.5981 177.7929 14 T 4.3538 7.7020 106.3656 62.1396 70.1667 174.4094 15 Y 4.2047 7.8867 123.1262 57.8810 39.3680 175.2648 16 D 4.2997 6.8696 123.1844 52.8488 42.9932 175.7077 17 S 3.9215 8.6630 126.5655 61.0011 63.5284 175.5480 18 N 4.8195 7.8794 114.6532 52.9965 35.4236 176.4789 *25 T 4.3984 8.2284 106.6766 62.0975 70.9072 168.9139 26 P 4.8337 0.0000 0.0000 59.7373 32.3952 177.5609 27 S 4.2251 8.6332 119.5343 58.3724 62.8396 173.9908 28 T 4.4931 8.1615 122.3745 61.7967 69.8225 175.2195 29 K 4.1509 8.2705 124.0531 56.2394 32.7997 177.3733 30 V 3.8654 8.0226 121.3143 61.9535 32.3799 175.6963 31 A 4.2627 8.1755 126.2704 52.0490 18.8259 177.7204 32 S 4.3511 8.3836 113.5576 59.0018 62.8761 175.2080 33 S 3.6522 7.9182 116.2208 60.6126 61.7981 172.7756 34 A 3.4793 6.9967 118.3052 56.3191 19.0507 176.7801 35 V 3.9772 7.5553 117.4962 63.5251 32.1721 174.2368 36 M 3.6390 8.1315 130.9813 55.7091 29.8280 177.7623 37 N 4.3286 7.9810 115.7594 54.4805 37.1224 174.7823 38 R 4.3250 8.2091 115.6237 55.5549 29.8477 175.1091 39 R 5.1693 7.9864 130.0861 55.6236 32.5976 174.3865 40 K 3.9336 8.4966 125.4055 56.3902 32.5951 176.0541 41 I 4.1769 8.1977 127.2634 59.4283 37.8403 175.3919 42 A 4.0901 8.5684 129.4742 52.3442 18.7440 176.1055 43 M 4.6651 8.3524 123.1811 52.6127 35.2926 172.5262 44 P 4.3388 0.0000 0.0000 63.5614 29.6165 176.2171 45 K 4.5100 8.4084 115.0778 55.9323 37.2796 174.8661 46 R 4.2236 7.6433 123.2722 56.3959 30.9787 175.3856 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 A 8.26 4.32 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 3 K 7.83 4.04 0.00 1.84 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 4 R 8.34 4.46 0.00 1.76 1.85 0.00 3.22 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 5 V 8.25 3.67 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 0.77 0.00 0.00 0.93 0.00 0.00 6 A 8.22 4.27 1.28 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 0.00 0.00 7 D 8.61 4.46 0.00 2.70 2.76 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 0.00 0.00 0.00 8 A 7.34 4.51 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.46 4.20 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 10 I 8.13 4.11 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.98 0.00 0.00 11 Q 8.26 4.61 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 12 R 8.91 3.93 0.00 1.77 1.99 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 13 E 8.33 4.16 0.00 2.00 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 2.33 2.37 0.00 14 T 7.70 4.35 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 15 Y 7.89 4.20 0.00 3.03 2.95 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 16 D 6.87 4.30 0.00 2.50 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 0.00 0.00 0.00 0.00 17 S 8.66 3.92 0.00 3.87 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 18 N 7.88 4.82 0.00 2.80 3.02 0.00 0.00 6.89 7.71 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 *25 T 8.23 4.40 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 26 P 0.00 4.83 0.00 2.07 1.85 0.00 3.72 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 1.86 1.59 0.00 27 S 8.63 4.23 0.00 3.85 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 28 T 8.16 4.49 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 29 K 8.27 4.15 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 V 8.02 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 31 A 8.18 4.26 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 32 S 8.38 4.35 0.00 3.99 3.97 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 S 7.92 3.65 0.00 3.99 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 34 A 7.00 3.48 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 35 V 7.56 3.98 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 0.79 0.00 0.00 0.93 0.00 0.00 36 M 8.13 3.64 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 37 N 7.98 4.33 0.00 2.82 2.96 0.00 0.00 6.94 6.94 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 38 R 8.21 4.32 0.00 1.97 2.10 0.00 3.09 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 39 R 7.99 5.17 0.00 2.03 1.96 0.00 3.38 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 40 K 8.50 3.93 0.00 1.69 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.52 7.81 41 I 8.20 4.18 1.87 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 1.35 0.84 0.91 0.00 0.00 42 A 8.57 4.09 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 43 M 8.35 4.67 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 44 P 0.00 4.34 0.00 2.17 1.89 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 45 K 8.41 4.51 0.00 1.67 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.45 7.81 46 R 7.64 4.22 0.00 1.78 1.74 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.