NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4502 8.2185 120.5246 53.7289 42.3067 176.5747 2 A 3.8905 7.3722 121.8796 52.9852 18.0000 176.2496 3 E 3.9213 8.5350 115.6032 59.8203 30.1909 176.7668 4 F 3.8500 8.4843 121.3119 61.3136 39.4900 176.2654 5 R 4.2420 8.7020 117.9685 58.9104 30.2017 177.8401 6 H 4.3123 8.4627 119.9395 58.3546 29.8278 176.1166 7 D 4.4670 8.6396 119.3353 57.9740 41.4281 178.5991 8 S 4.2157 8.1156 115.0585 62.1078 62.9393 176.5206 9 G 3.8848 8.3446 106.5976 46.3042 0.0000 174.7965 10 Y 4.1586 8.1659 122.7200 60.9584 38.7762 177.3660 11 E 4.0337 8.2039 118.0749 59.3484 29.9387 179.0595 12 V 3.6350 7.7099 117.9029 66.0431 31.5063 177.2533 13 H 3.9802 8.2214 118.2995 59.7591 29.6759 176.5975 14 H 4.1461 8.0143 116.2200 58.8966 27.9390 177.0583 15 Q 3.7728 7.7417 121.9504 58.8743 28.9590 178.2266 16 K 4.0468 7.9214 120.0471 59.5844 32.4505 178.4032 17 L 4.0725 8.0454 120.2918 57.7611 41.6850 178.9588 18 V 3.7538 7.7307 117.8375 65.5315 31.7953 177.8076 19 F 4.1050 8.3317 117.6779 60.6076 38.7971 177.3588 20 F 4.1315 8.6422 119.9869 61.3874 39.1246 177.0383 21 A 4.0759 8.4306 120.0737 54.6646 18.1055 179.6422 22 E 3.8570 8.1494 117.5888 59.8975 29.7314 178.8457 23 D 4.3820 7.8619 119.7825 56.6384 40.9032 178.8097 24 V 3.5777 6.8711 119.9314 65.2931 31.7091 178.2778 25 G 4.1995 7.7899 106.5191 47.1064 0.0000 175.3304 26 S 4.1431 7.8512 117.3426 60.5773 62.9278 176.2584 27 N 4.7333 8.0508 120.6850 51.9032 37.3232 174.8815 28 K 4.1431 7.8333 125.0587 57.6686 32.3781 176.8490 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 D 8.22 4.45 0.00 2.70 2.75 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 0.00 0.00 0.00 2 A 7.37 3.89 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 3 E 8.53 3.92 0.00 2.19 2.26 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 2.48 2.58 0.00 4 F 8.48 3.85 0.00 3.16 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 5 R 8.70 4.24 0.00 1.99 2.02 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 6 H 8.46 4.31 0.00 3.47 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.64 4.47 0.00 2.80 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 8 S 8.12 4.22 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.34 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.17 4.16 0.00 3.18 3.18 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 0.00 11 E 8.20 4.03 0.00 2.06 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 2.41 2.40 0.00 12 V 7.71 3.64 2.22 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 0.94 0.00 0.00 0.93 0.00 0.00 13 H 8.22 3.98 0.00 3.45 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.01 4.15 0.00 3.33 3.46 0.00 5.32 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.74 3.77 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 16 K 7.92 4.05 0.00 1.81 1.81 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.41 7.81 17 L 8.05 4.07 0.00 1.88 1.70 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.73 3.75 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 0.73 0.00 0.00 1.05 0.00 0.00 19 F 8.33 4.11 0.00 3.45 3.07 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 0.00 0.00 0.00 20 F 8.64 4.13 0.00 3.19 3.07 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 0.00 0.00 0.00 21 A 8.43 4.08 1.53 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 0.00 0.00 22 E 8.15 3.86 0.00 2.25 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 2.24 2.34 0.00 23 D 7.86 4.38 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.87 3.58 0.67 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 0.71 0.00 0.00 -0.02 0.00 0.00 25 G 7.79 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 0.00 0.00 0.00 0.00 26 S 7.85 4.14 0.00 4.04 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 27 N 8.05 4.73 0.00 2.91 2.99 0.00 0.00 6.94 6.73 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 28 K 7.83 4.14 0.00 1.87 1.74 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.42 7.81