NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3211 8.3044 120.3456 55.4106 32.9281 174.1410 2 V 4.1727 8.1765 126.9676 60.6029 34.0356 172.4716 3 K 4.9612 8.8384 127.7783 54.6506 34.7233 175.3088 4 V 4.2528 9.2570 126.8339 61.4130 32.9394 174.4532 5 K 5.2213 8.6713 127.6412 55.4668 34.5000 175.3735 6 F 5.1375 8.8347 117.9423 55.8596 41.9439 172.5609 7 K 5.0368 8.7481 118.5918 55.3930 34.4338 175.3378 8 Y 4.5469 8.9174 124.8091 57.0758 41.9482 174.7098 9 K 3.5829 9.0230 127.1978 57.5557 29.5934 178.0008 10 G 4.0218 8.3069 107.4510 46.2704 0.0000 174.6372 11 E 4.0845 8.0044 120.4257 56.0645 30.0163 175.7722 12 E 4.4313 8.4782 124.5698 56.1214 30.7593 175.1622 13 K 4.4803 8.7110 125.7530 55.4709 36.6126 174.5148 14 E 5.2634 8.1877 122.0257 55.1965 33.2956 175.1684 15 V 4.4410 9.3710 124.4822 59.6473 35.2486 174.3663 16 D 5.0046 8.4529 122.2104 53.4235 42.2265 177.1400 17 T 3.7683 8.5485 117.4013 64.8453 68.5986 176.2276 18 S 4.2262 8.1404 114.8839 60.2064 63.3999 174.8772 19 K 4.2985 8.5181 120.3793 57.0813 32.4453 176.5229 20 I 4.4297 7.4348 121.1581 61.0620 37.3909 174.1600 21 K 4.2072 8.5586 126.2416 56.6262 31.7449 176.8696 22 K 4.7458 7.4487 120.7628 55.7828 35.0833 176.3964 23 V 5.0936 8.4699 122.1275 61.2134 34.6764 174.2206 24 W 5.3591 8.9207 123.3473 55.4814 32.0523 173.0410 25 R 4.9219 8.1322 118.4121 54.9420 31.6151 176.5242 26 V 4.3753 8.6624 125.1638 61.5104 33.3755 176.9991 27 G 3.9360 8.2590 119.7521 46.5659 0.0000 172.8446 28 K 4.4759 8.7688 125.8499 56.1162 32.6400 174.7836 29 M 4.7432 8.1209 121.1987 54.6599 33.8616 174.8618 30 V 4.5312 8.7910 126.6546 61.4595 33.4146 174.3184 31 S 4.6984 8.1267 123.3544 56.5737 65.3506 172.4185 32 F 4.9183 7.0602 118.0911 56.4744 41.4548 172.5041 33 T 5.2967 8.9708 109.4956 60.4578 72.1907 172.2921 34 Y 5.2814 8.2156 119.1017 55.8098 42.1085 173.2823 35 D 4.6931 9.2982 121.4308 54.2871 41.7634 175.9511 36 D 4.8031 9.2411 127.9522 53.9120 40.9901 174.6481 37 N 4.2824 9.2397 124.4152 53.3715 37.3117 172.7630 38 G 4.1272 8.6509 108.8294 44.9574 0.0000 172.2464 39 K 4.5039 8.0230 117.5096 55.0176 35.2140 174.7307 40 T 4.6540 8.2153 115.9842 62.3303 69.2664 175.3170 41 G 3.3490 8.3049 114.7736 44.8834 0.0000 172.1622 42 R 4.9974 7.5041 118.0241 54.3803 33.9073 174.9742 43 G 3.3285 7.6192 106.7554 45.8061 0.0000 171.8518 44 A 4.6969 7.7046 119.4945 50.9117 21.9917 175.9908 45 V 4.6211 8.7731 112.8113 59.3167 36.8416 175.3154 46 S 4.5271 8.5595 116.5019 57.9146 63.0785 174.7950 47 E 3.9847 8.8295 126.6960 59.4835 29.5148 179.9478 48 K 3.9765 8.0449 116.7387 59.4505 32.8756 177.2554 49 D 4.6440 8.0798 116.8994 53.7894 40.9267 175.6935 50 A 4.4251 7.3529 124.0718 50.0593 19.8893 176.3372 51 P 4.4194 0.0000 0.0000 62.0860 32.4695 177.0832 52 K 3.7607 8.8291 120.8664 59.9757 31.8475 178.2745 53 E 3.8658 8.1967 118.7504 59.4900 29.4723 178.5731 54 L 3.8799 7.6992 119.5555 58.0995 42.0921 178.9347 55 L 4.0441 7.8151 118.5147 57.5442 41.5776 179.0116 56 D 4.3395 8.3931 119.5291 57.7316 40.7451 178.7271 57 M 4.0873 8.0581 119.1693 58.1505 31.8953 178.6218 58 L 3.9546 8.1084 120.3904 58.1043 42.0670 178.9030 59 A 4.0639 7.9501 119.7416 55.1461 18.5247 179.2923 60 R 3.9712 8.0303 117.1168 59.4211 30.1711 178.6646 61 A 4.0487 8.2143 120.8156 55.1862 18.2404 179.3474 62 E 4.0969 8.5942 115.9309 58.6695 29.5809 178.7272 63 R 4.4218 7.4324 116.1865 55.3563 30.7184 176.3981 64 E 4.0013 7.6028 119.4855 57.0452 29.6329 177.1009 65 K 4.4697 8.6399 123.5090 56.0176 32.9068 176.5145 66 K 4.2248 8.1681 124.0773 56.8490 31.4375 176.3618 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 4.32 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 V 8.18 4.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 3 K 8.84 4.96 0.00 1.63 1.67 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.32 7.81 4 V 9.26 4.25 1.88 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 0.86 0.00 0.00 0.67 0.00 0.00 5 K 8.67 5.22 0.00 1.96 1.77 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 6 F 8.83 5.14 0.00 3.17 3.22 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 0.00 0.00 0.00 0.00 7 K 8.75 5.04 0.00 1.76 1.84 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.55 7.81 8 Y 8.92 4.55 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.02 3.58 0.00 2.04 1.84 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.47 7.81 10 G 8.31 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.08 0.00 2.27 1.88 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 2.34 2.46 0.00 12 E 8.48 4.43 0.00 1.92 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 2.24 2.28 0.00 13 K 8.71 4.48 0.00 1.24 0.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.03 1.24 7.81 14 E 8.19 5.26 0.00 1.77 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 2.19 2.24 0.00 15 V 9.37 4.44 1.54 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 0.58 0.00 0.00 0.62 0.00 0.00 16 D 8.45 5.00 0.00 2.74 2.54 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 0.00 17 T 8.55 3.77 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 18 S 8.14 4.23 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.52 4.30 0.00 1.99 2.00 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 20 I 7.43 4.43 1.91 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.24 0.86 0.00 0.00 21 K 8.56 4.21 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 22 K 7.45 4.75 0.00 2.17 2.03 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.51 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.48 7.81 23 V 8.47 5.09 2.15 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 0.84 0.00 0.00 0.95 0.00 0.00 24 W 8.92 5.36 0.00 3.40 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.92 0.00 1.85 1.91 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 26 V 8.66 4.38 2.12 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 1.00 0.00 0.00 1.15 0.00 0.00 27 G 8.26 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.48 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 29 M 8.12 4.74 0.00 2.28 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 30 V 8.79 4.53 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 0.93 0.00 0.00 0.91 0.00 0.00 31 S 8.13 4.70 0.00 3.33 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 32 F 7.06 4.92 0.00 3.16 2.87 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 33 T 8.97 5.30 4.28 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 1.45 0.00 0.00 34 Y 8.22 5.28 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.30 4.69 0.00 2.71 2.74 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 36 D 9.24 4.80 0.00 2.50 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.24 4.28 0.00 2.82 2.91 0.00 0.00 7.57 8.00 0.00 0.00 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 G 8.65 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.02 4.50 0.00 1.88 1.90 0.00 1.30 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 T 8.22 4.65 4.18 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 1.14 0.00 0.00 41 G 8.30 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 5.00 0.00 1.02 1.45 0.00 3.31 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 43 G 7.62 3.33 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 0.00 44 A 7.70 4.70 0.98 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 0.00 0.00 45 V 8.77 4.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 46 S 8.56 4.53 0.00 3.86 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 47 E 8.83 3.98 0.00 2.09 2.01 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 2.34 2.46 0.00 48 K 8.04 3.98 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.47 7.81 49 D 8.08 4.64 0.00 2.72 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 50 A 7.35 4.43 1.21 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 51 P 0.00 4.42 0.00 2.19 2.16 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 52 K 8.83 3.76 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.51 7.81 53 E 8.20 3.87 0.00 2.07 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 0.00 2.32 2.38 0.00 54 L 7.70 3.88 0.00 1.67 1.69 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 4.04 0.00 1.85 1.69 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.39 4.34 0.00 2.78 2.70 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 57 M 8.06 4.09 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.52 0.00 58 L 8.11 3.95 0.00 1.77 1.84 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.95 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.03 3.97 0.00 1.92 2.13 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 61 A 8.21 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.59 4.10 0.00 2.09 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 0.00 2.60 2.53 0.00 63 R 7.43 4.42 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 64 E 7.60 4.00 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 65 K 8.64 4.47 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.65 7.81 66 K 8.17 4.22 0.00 1.91 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.40 7.81