NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2752 8.2649 123.5803 50.8443 18.7570 175.9712 7 P 4.1559 0.0000 0.0000 62.2605 31.8834 175.3439 8 D 4.6935 9.4589 123.9593 51.9122 42.0914 176.6145 9 F 3.9163 8.9721 120.6111 61.9296 38.9753 176.6850 10 H 4.6895 8.0134 116.2826 57.8388 28.8659 177.3279 11 D 4.3499 8.4691 120.3727 56.3907 40.7752 177.8332 12 K 4.0407 7.4538 116.7705 57.6353 33.5603 177.1145 13 Y 4.8663 7.3650 116.1950 57.7357 39.6703 177.3472 14 G 4.0069 7.6236 106.7342 48.6804 0.0000 175.2482 15 N 4.4977 8.2239 118.2860 55.6456 38.6296 177.0611 16 A 3.9928 8.0124 121.7849 54.8861 18.6259 179.1967 17 V 3.5308 8.2243 116.2419 66.1947 31.5471 177.9231 18 L 3.9237 8.4725 119.6780 58.4535 41.8259 178.6684 19 A 4.0265 8.2092 120.6823 55.1461 18.3251 179.5303 20 S 4.2058 8.7753 112.7017 61.5397 63.0536 176.9595 21 G 3.6776 8.7070 109.4341 47.6030 0.0000 175.5327 22 A 4.1139 8.4303 124.1584 54.9018 18.1903 179.9673 23 T 3.8318 8.3059 114.5701 66.9436 68.5816 176.8013 24 F 4.3250 8.6817 122.8495 61.5566 39.3200 176.3290 25 C 4.0167 8.2850 118.7862 62.2041 31.5660 175.7036 26 V 3.7243 8.0567 120.5677 65.6053 30.6989 176.9360 27 A 4.1868 8.0914 122.2960 53.5375 18.0216 179.0322 28 V 3.3925 7.6919 115.2835 65.4533 31.7141 179.1198 29 W 3.8997 8.2770 118.4427 59.6718 28.5746 178.7383 30 V 3.6631 7.8844 117.9044 66.0259 30.7552 177.5726 31 Y 4.0036 8.3306 119.4951 60.8529 38.5293 177.1075 32 M 3.8969 7.9418 117.5075 58.8501 32.3590 177.8208 33 A 4.6658 8.4528 120.1100 54.4728 18.2585 177.9849 34 T 4.4072 7.4488 105.3911 63.3849 70.5988 176.0237 35 Q 3.7330 8.2613 119.0919 56.3382 28.8082 175.0440 36 I 4.4792 6.7366 112.4239 58.4182 40.2755 176.3925 37 G 3.8149 8.4555 106.0633 46.3210 0.0000 173.7857 38 I 3.2429 7.1373 121.0296 61.6628 37.2612 175.4608 39 E 4.3812 8.1267 126.3118 54.2769 28.9989 175.3158 40 W 4.2027 8.6387 125.3528 56.9554 30.2100 176.0060 41 N 4.0891 8.2084 116.8013 53.8227 36.9204 170.7887 42 P 4.5519 0.0000 0.0000 62.2250 32.7923 176.4993 43 S 4.3052 8.2963 113.6973 57.4353 63.0065 172.3661 44 P 4.3580 0.0000 0.0000 65.1586 31.5737 176.8020 45 V 3.6886 7.1295 117.9782 63.4842 31.2139 175.1927 46 G 4.1518 9.2374 113.6075 44.7284 0.0000 173.7946 47 R 4.4052 7.6061 113.3984 55.8126 31.2599 176.1112 48 V 4.2198 8.2145 118.5105 61.1185 33.0640 175.0574 49 T 4.3646 8.3150 124.1978 61.1775 68.2761 172.8805 50 P 4.3838 0.0000 0.0000 62.7169 31.8985 176.0306 51 K 4.6362 8.2604 120.4226 54.1428 34.4576 175.7597 52 E 4.0808 8.6797 122.7846 56.2589 29.9541 176.6966 53 W 4.5851 8.4003 121.5641 55.9622 29.5372 175.9410 54 R 3.8474 7.2702 124.1877 56.4150 30.0328 175.0766 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 6 A 8.26 4.28 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 P 0.00 4.16 0.00 2.04 1.96 0.00 3.64 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 1.98 2.09 0.00 8 D 9.46 4.69 0.00 2.88 2.83 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 0.00 0.00 0.00 9 F 8.97 3.92 0.00 3.14 2.98 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 10 H 8.01 4.69 0.00 3.39 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.35 0.00 2.79 2.64 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 0.00 0.00 0.00 12 K 7.45 4.04 0.00 1.15 1.51 0.00 1.07 0.00 0.00 1.12 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.94 0.21 7.81 13 Y 7.36 4.87 0.00 2.43 2.63 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 14 G 7.62 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 15 N 8.22 4.50 0.00 2.83 2.90 0.00 0.00 6.83 7.08 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 16 A 8.01 3.99 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 17 V 8.22 3.53 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 0.98 0.00 0.00 1.14 0.00 0.00 18 L 8.47 3.92 0.00 1.86 1.83 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.21 4.03 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 20 S 8.78 4.21 0.00 4.03 4.17 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 21 G 8.71 3.68 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 0.00 0.00 0.00 22 A 8.43 4.11 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 23 T 8.31 3.83 4.54 0.00 0.00 0.00 0.00 0.00 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 24 F 8.68 4.33 0.00 3.09 3.21 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 25 C 8.28 4.02 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 26 V 8.06 3.72 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 0.81 0.00 0.00 0.96 0.00 0.00 27 A 8.09 4.19 1.36 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 0.00 0.00 28 V 7.69 3.39 1.68 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 0.80 0.00 0.00 0.38 0.00 0.00 29 W 8.28 3.90 0.00 3.54 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 30 V 7.88 3.66 2.40 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 1.04 0.00 0.00 0.99 0.00 0.00 31 Y 8.33 4.00 0.00 3.06 2.89 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 32 M 7.94 3.90 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 33 A 8.45 4.67 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 34 T 7.45 4.41 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 1.22 0.00 0.00 35 Q 8.26 3.73 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 36 I 6.74 4.48 1.80 0.00 0.00 0.81 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 0.78 0.79 0.00 0.00 37 G 8.46 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 3.24 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.42 -0.39 0.00 0.00 39 E 8.13 4.38 0.00 1.80 1.78 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 2.17 2.21 0.00 40 W 8.64 4.20 0.00 3.32 3.27 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 0.00 41 N 8.21 4.09 0.00 2.99 2.82 0.00 0.00 7.16 7.60 0.00 0.00 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 P 0.00 4.55 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.30 4.31 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.26 2.29 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.13 3.69 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.24 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.61 4.41 0.00 1.91 2.04 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 48 V 8.21 4.22 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 0.83 0.00 0.00 0.94 0.00 0.00 49 T 8.31 4.36 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 1.22 0.00 0.00 50 P 0.00 4.38 0.00 2.23 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 51 K 8.26 4.64 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 52 E 8.68 4.08 0.00 1.88 1.82 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 2.18 2.23 0.00 53 W 8.40 4.59 0.00 3.66 3.21 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 54 R 7.27 3.85 0.00 1.78 2.08 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00