NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.8419 8.3501 109.7365 43.3540 0.0000 173.7400 -3 A 4.3356 7.6277 117.8633 51.5063 20.4570 175.1002 -2 M 3.2005 8.5403 118.3917 55.5522 31.7074 176.9607 -1 A 4.5920 7.6307 120.2647 52.5162 19.4809 179.7431 0 G 3.6184 8.0242 107.2037 48.4421 0.0000 176.2286 1 M 4.0771 8.1775 122.1639 59.7042 30.9237 180.7298 2 N 4.5692 7.6751 114.9944 56.7450 38.9074 177.4750 3 I 3.9015 7.6410 119.0313 63.9781 37.2804 178.2494 4 K 4.2538 8.1831 119.5125 57.9974 32.0171 177.0017 5 D 4.5268 7.4230 119.5423 53.9835 41.3162 175.7408 6 R 4.6138 8.4370 123.8674 56.0608 31.4033 177.4382 7 T 3.9411 8.5951 116.9634 67.2447 68.4236 176.0934 8 S 4.1394 8.0967 115.7684 61.7626 62.7908 176.0105 9 E 3.9111 8.2889 119.8803 60.1082 29.3232 177.9504 10 F 4.2232 8.7499 120.3576 61.5054 39.2301 176.6120 11 Q 3.8561 9.0156 117.2594 59.4604 28.5683 179.7703 12 Q 4.1120 8.6941 118.0957 57.9016 28.5902 178.4386 13 S 4.2503 8.8308 115.8537 60.7146 62.9303 175.7318 14 V 3.4486 7.3893 120.4164 66.1085 30.9959 177.7722 15 L 3.9649 8.2187 118.9595 57.8879 41.6684 179.6508 16 S 4.0788 7.7118 113.7560 61.7938 62.7224 176.1029 17 Y 3.9483 8.5209 120.3613 60.0469 37.2522 178.7071 18 K 4.0215 7.6334 118.8721 59.3610 32.3980 179.0112 19 K 4.0590 7.8086 117.4145 59.6137 31.9519 179.3719 20 R 4.0834 7.7687 119.6667 59.7991 30.2437 177.6046 21 N 4.6985 7.8821 122.5834 54.8133 37.7848 176.7447 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 -4 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 4.34 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 -2 M 8.54 3.20 0.00 2.18 2.18 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 2.50 2.46 0.00 -1 A 7.63 4.59 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 0 G 8.02 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.18 4.08 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.22 0.00 2 N 7.68 4.57 0.00 2.96 2.91 0.00 0.00 7.06 7.65 0.00 0.00 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 I 7.64 3.90 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.35 0.91 0.00 0.00 4 K 8.18 4.25 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.62 7.81 5 D 7.42 4.53 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.44 4.61 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 7 T 8.60 3.94 4.36 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 1.30 0.00 0.00 8 S 8.10 4.14 0.00 3.89 3.95 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 9 E 8.29 3.91 0.00 2.00 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 2.38 2.45 0.00 10 F 8.75 4.22 0.00 3.14 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.02 3.86 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 12 Q 8.69 4.11 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 13 S 8.83 4.25 0.00 3.79 3.87 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 0.00 0.00 0.00 14 V 7.39 3.45 1.89 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 0.91 0.00 0.00 0.21 0.00 0.00 15 L 8.22 3.96 0.00 1.77 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.71 4.08 0.00 3.90 4.05 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 17 Y 8.52 3.95 0.00 3.25 3.04 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 18 K 7.63 4.02 0.00 1.97 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.62 7.81 19 K 7.81 4.06 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 20 R 7.77 4.08 0.00 1.76 1.92 0.00 2.78 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 21 N 7.88 4.70 0.00 2.77 2.59 0.00 0.00 7.05 8.08 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