NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5636 8.3044 118.3347 54.7412 32.6012 175.0206 2 K 3.9236 8.6563 125.1573 56.1592 33.1181 172.0659 3 V 3.6751 9.2800 119.4926 63.6052 33.2331 177.6102 4 R 3.5954 7.8302 115.4702 56.4441 29.1359 175.2394 5 A 4.6820 8.2380 116.4203 52.3582 20.9575 175.9306 6 S 4.8577 7.4820 110.2594 58.7880 62.7114 174.3364 7 V 2.8326 6.7604 114.3164 60.5298 32.7747 174.1075 8 K 3.6745 7.8981 129.9536 54.1049 33.1334 175.8291 9 K 4.3950 8.2509 122.5975 56.8345 33.8471 175.7880 10 L 4.5215 8.2921 114.7309 55.9577 45.9171 175.8315 11 C 4.9604 7.5811 110.9331 55.7215 32.9716 174.5761 12 R 3.8809 8.6230 115.4757 59.4755 29.0896 177.4518 13 N 4.5417 8.1188 113.3885 54.0968 38.6717 173.9249 14 C 4.8408 7.9996 118.2075 59.2339 28.7239 173.1342 15 K 3.9447 8.9080 126.8225 58.6642 32.2594 173.8226 16 I 3.6744 7.8825 127.4344 62.1524 34.1424 172.7417 17 V 4.5147 7.9385 123.6767 60.8131 34.7037 174.3400 18 K 5.0158 8.0094 122.6784 53.4755 31.9094 175.2702 19 R 4.0991 7.7628 121.0736 56.3464 31.0236 174.7325 20 D 4.6547 8.5536 120.5084 54.2680 39.6388 174.5614 21 G 3.9888 7.8640 106.5518 46.5782 0.0000 172.5362 22 V 4.1129 7.9418 121.5143 60.6010 32.4355 175.1620 23 I 4.2162 8.3265 128.8328 61.5115 36.5094 175.3151 24 R 4.6988 9.0691 126.8377 54.5755 33.5653 175.3295 25 V 4.7295 8.0426 117.5637 61.7963 35.3590 174.3289 26 I 4.8557 8.3704 126.7196 59.6127 41.3805 173.5516 27 C 5.6325 8.4596 126.5786 56.7243 33.2576 174.4390 28 S 3.8785 9.0349 123.0214 61.5746 62.4912 174.8302 29 A 4.0471 7.8186 122.2421 52.0866 18.9430 176.6054 30 E 4.4544 7.7832 111.2504 53.1804 31.7092 176.1063 31 P 4.3302 0.0000 0.0000 65.1453 31.6516 178.4148 32 K 4.2152 7.9085 116.2119 58.6163 32.0716 177.7648 33 H 4.3464 8.0274 116.1546 57.8081 28.9022 174.0651 34 K 4.2466 7.4720 119.9670 56.2691 31.5282 174.7951 35 Q 5.5451 8.1430 125.4232 52.7270 32.0533 175.2659 36 R 4.4301 8.6600 124.9244 56.7895 36.4385 177.8582 37 Q 3.4966 7.8119 119.1220 53.8959 29.6848 176.1430 38 G 3.8497 8.6060 114.9962 46.6324 0.0000 171.7628 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 M 8.30 4.56 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 K 8.66 3.92 0.00 1.90 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 3 V 9.28 3.68 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 0.78 0.00 0.00 0.93 0.00 0.00 4 R 7.83 3.60 0.00 1.92 1.94 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.24 4.68 1.25 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 0.00 0.00 0.00 6 S 7.48 4.86 0.00 3.81 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 7 V 6.76 2.83 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.93 0.00 0.00 8 K 7.90 3.67 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.25 4.39 0.00 1.87 1.84 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 L 8.29 4.52 0.00 1.18 1.30 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.58 4.96 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 3.88 0.00 1.94 2.12 0.00 3.04 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 13 N 8.12 4.54 0.00 2.83 2.97 0.00 0.00 7.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.00 4.84 0.00 3.11 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 15 K 8.91 3.94 0.00 1.69 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 16 I 7.88 3.67 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 1.28 1.51 0.96 0.00 0.00 17 V 7.94 4.51 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 1.01 0.00 0.00 0.93 0.00 0.00 18 K 8.01 5.02 0.00 1.70 1.66 0.00 1.65 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 19 R 7.76 4.10 0.00 1.92 1.82 0.00 3.32 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 20 D 8.55 4.65 0.00 2.83 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 21 G 7.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 4.11 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 0.98 0.00 0.00 0.93 0.00 0.00 23 I 8.33 4.22 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 1.41 0.65 0.91 0.00 0.00 24 R 9.07 4.70 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 25 V 8.04 4.73 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 1.10 0.00 0.00 0.95 0.00 0.00 26 I 8.37 4.86 1.88 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 1.23 0.83 0.91 0.00 0.00 27 C 8.46 5.63 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 3.88 0.00 3.79 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 4.05 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 30 E 7.78 4.45 0.00 1.70 1.67 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 2.29 2.23 0.00 31 P 0.00 4.33 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.91 4.22 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 H 8.03 4.35 0.00 3.23 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.47 4.25 0.00 1.76 1.96 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.42 7.81 35 Q 8.14 5.55 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 36 R 8.66 4.43 0.00 1.77 1.01 0.00 3.27 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 37 Q 7.81 3.50 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 38 G 8.61 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 0.00 0.00 0.00