NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0245 8.0549 120.3903 62.9820 31.9859 174.5443 2 T 4.2703 8.4577 124.3909 61.3111 70.6607 172.2770 3 S 4.8302 9.0784 123.5303 56.6955 66.6985 172.8481 4 Y 4.7287 8.4419 120.2862 56.3229 40.9590 175.1711 5 T 4.7992 8.4540 113.4319 59.8279 71.8615 172.9486 6 L 4.7447 8.1907 123.5690 54.0555 45.2828 175.1116 7 S 4.6991 8.1700 119.1655 57.7309 66.9213 172.6363 8 D 4.4848 8.0629 120.0140 53.5660 43.6778 174.7888 9 V 3.9856 8.1975 122.9090 61.7955 32.2812 175.6134 10 V 4.2925 8.0772 126.2122 61.1816 33.7173 175.6141 11 S 4.4704 8.4642 123.3098 56.9736 61.7070 174.2112 12 L 3.9363 8.3475 129.5579 58.6888 41.3939 178.5357 13 K 3.8932 8.1051 117.6239 58.9012 32.0979 177.2187 14 D 4.7863 7.8787 116.4284 53.8654 41.2574 176.2615 15 V 4.1655 7.7212 117.9416 64.0426 33.3395 176.0223 16 V 4.3594 7.3457 110.1540 58.7524 33.5685 173.7194 17 P 4.5903 0.0000 0.0000 62.0354 32.0112 176.6603 18 E 3.9951 8.8731 119.1081 58.6560 29.4625 177.9635 19 W 4.7161 7.9877 116.3881 54.9290 31.4556 175.1196 20 V 4.6687 8.2244 113.8565 60.0988 35.4536 174.4255 21 R 4.7051 8.3942 119.1550 54.3915 32.8069 175.5569 22 I 4.4493 7.5854 114.1153 59.3017 40.1079 175.1446 23 G 3.7911 7.3993 108.0705 45.7722 0.0000 172.3141 24 F 5.0300 8.3601 117.0087 55.5578 41.8932 174.9502 25 S 4.7472 8.3340 116.2751 56.8924 66.0560 173.1981 26 A 4.4747 8.0631 122.6411 51.4349 21.7056 175.7577 27 T 4.7524 8.0248 111.2766 60.1591 72.1519 172.6025 28 T 4.9622 8.2049 110.8676 60.2340 73.1259 175.1747 29 G 4.2081 8.3635 113.0699 45.2601 0.0000 176.1899 30 A 4.1719 9.0709 128.6117 53.5485 18.6398 177.7227 31 E 4.8758 8.0018 114.8386 54.9872 32.2901 174.3740 32 Y 5.1299 7.0577 117.4061 56.3760 41.0070 173.3287 33 A 4.2421 8.0544 120.2421 51.9486 21.3403 175.4959 34 A 4.4964 8.4629 122.7251 51.4335 19.9651 176.9301 35 H 4.8699 8.6316 118.3148 53.9902 31.5686 173.1743 36 E 4.6985 8.4982 122.3811 54.4377 33.5031 174.7889 37 V 4.2028 8.0470 119.8163 61.1506 33.8878 175.3552 38 L 4.4783 8.3158 125.8701 56.0150 42.8414 176.5585 39 S 4.7614 7.6106 109.7027 57.4685 65.2911 173.6539 40 W 5.5073 8.4700 130.1736 56.5764 33.4465 173.8332 41 S 4.7252 8.8392 118.6291 56.8846 65.7078 172.8612 42 F 4.7777 8.2165 121.8953 57.4330 42.0737 173.1120 43 H 4.5943 7.1760 125.4896 54.6118 32.6743 172.6386 44 S 4.4388 7.9030 120.0001 56.2707 65.9434 172.9223 45 E 4.3840 8.3890 121.8050 54.3729 32.0792 174.0905 46 L 4.4966 8.5391 127.7800 53.2767 43.6493 175.2980 47 S 4.6460 8.7155 122.6763 56.7970 64.4672 174.4732 48 G 3.7179 8.6027 113.5937 45.5540 0.0000 172.4066 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 V 8.05 4.02 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 0.97 0.00 0.00 0.93 0.00 0.00 2 T 8.46 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 3 S 9.08 4.83 0.00 3.73 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 4 Y 8.44 4.73 0.00 2.90 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 5 T 8.45 4.80 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 6 L 8.19 4.74 0.00 1.59 1.55 0.94 0.87 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 7 S 8.17 4.70 0.00 3.86 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 8 D 8.06 4.48 0.00 2.59 2.49 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 9 V 8.20 3.99 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 0.83 0.00 0.00 0.93 0.00 0.00 10 V 8.08 4.29 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 0.92 0.00 0.00 0.94 0.00 0.00 11 S 8.46 4.47 0.00 4.16 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 12 L 8.35 3.94 0.00 1.70 1.77 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.11 3.89 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 14 D 7.88 4.79 0.00 2.78 2.67 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 15 V 7.72 4.17 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 0.81 0.00 0.00 0.99 0.00 0.00 16 V 7.35 4.36 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 0.80 0.00 0.00 0.96 0.00 0.00 17 P 0.00 4.59 0.00 2.35 2.05 0.00 3.72 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 2.07 2.13 0.00 18 E 8.87 4.00 0.00 2.03 1.87 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 2.28 2.36 0.00 19 W 7.99 4.72 0.00 3.26 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 20 V 8.22 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 0.75 0.00 0.00 0.94 0.00 0.00 21 R 8.39 4.71 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 22 I 7.59 4.45 1.79 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.71 0.00 0.00 23 G 7.40 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.36 5.03 0.00 2.82 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 25 S 8.33 4.75 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.47 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.02 4.75 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 28 T 8.20 4.96 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 1.35 0.00 0.00 29 G 8.36 4.21 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 0.00 30 A 9.07 4.17 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 8.00 4.88 0.00 1.97 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 2.30 2.18 0.00 32 Y 7.06 5.13 0.00 3.04 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 33 A 8.05 4.24 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 34 A 8.46 4.50 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 35 H 8.63 4.87 0.00 3.04 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.50 4.70 0.00 1.83 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 2.18 2.24 0.00 37 V 8.05 4.20 1.81 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 0.47 0.00 0.00 0.10 0.00 0.00 38 L 8.32 4.48 0.00 1.66 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.61 4.76 0.00 4.03 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 40 W 8.47 5.51 0.00 3.40 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 41 S 8.84 4.73 0.00 3.97 3.82 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 42 F 8.22 4.78 0.00 2.65 2.61 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 0.00 0.00 0.00 43 H 7.18 4.59 0.00 2.91 2.92 0.00 5.92 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 44 S 7.90 4.44 0.00 3.91 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 45 E 8.39 4.38 0.00 1.79 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 2.14 2.23 0.00 46 L 8.54 4.50 0.00 1.48 1.43 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.72 4.65 0.00 3.84 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 48 G 8.60 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00