NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4182 8.3044 120.3264 55.3982 33.5755 174.8248 2 K 4.0424 8.5703 121.4211 54.9128 33.3464 169.3744 3 V 3.7562 8.1261 119.9453 64.4422 32.3343 169.9650 4 R 4.1324 8.4967 126.4046 58.0895 30.8632 175.5802 5 A 3.8745 7.8728 119.2492 52.2775 18.6247 176.6571 6 S 4.1933 8.6248 116.3840 58.7808 61.3853 173.7125 7 V 4.7006 7.7085 118.7795 58.5001 36.1106 179.0714 8 K 4.6116 8.2366 123.1111 56.5467 31.6376 176.8921 9 K 4.3420 8.2706 111.4721 57.4678 35.0268 177.7103 10 L 3.2481 8.0398 122.2994 53.1464 41.8975 175.3635 11 C 3.8172 8.8591 115.5484 57.2997 42.0015 171.6459 12 R 4.5954 7.7811 111.2932 57.7193 36.4841 176.1273 13 N 4.7406 7.8434 117.8018 53.8434 37.4211 175.3626 14 C 5.0932 7.6676 114.3447 54.9602 44.4906 175.0882 15 K 4.4850 7.8080 121.3251 55.8010 34.3580 174.1006 16 I 4.2335 7.7557 107.8824 61.8482 39.2456 173.0888 17 V 3.0436 7.7316 122.7391 61.6235 31.7755 171.9113 18 K 4.6223 8.5569 124.4540 55.2166 34.1679 175.8928 19 R 4.5410 9.5431 121.0283 54.4884 33.0043 175.4432 20 D 5.6521 8.5201 132.4877 54.1967 39.8299 177.1923 21 G 3.9563 8.1736 106.9717 46.0350 0.0000 173.3779 22 V 3.5618 7.7140 112.6583 61.4526 31.7282 175.3434 23 I 3.5299 8.1065 120.6583 59.0134 37.1971 174.5018 24 R 5.0076 8.4548 121.6125 56.0430 31.3308 175.7074 25 V 4.2816 8.3379 122.2522 63.4270 33.3577 175.7751 26 I 3.6483 6.5821 113.8893 61.8941 35.5946 172.2946 27 C 4.4991 8.2153 120.5222 57.5954 30.7629 176.6776 28 S 4.5391 8.7176 119.6834 58.4132 62.0075 174.6304 29 A 4.6330 8.1404 125.4610 53.5003 20.8316 177.0653 30 E 4.7355 7.7888 113.2857 54.9532 32.2334 173.0726 31 P 4.5652 0.0000 0.0000 64.1300 32.4877 177.1754 32 K 3.9258 7.8770 119.8363 59.1744 32.4000 176.5309 33 H 4.6923 7.7675 117.1715 54.0757 27.8059 173.9375 34 K 4.0794 8.2681 124.9304 58.1835 34.4348 171.9254 35 Q 4.2480 8.2611 124.4566 54.8815 28.9366 172.8949 36 R 4.6151 8.1563 121.2157 54.8310 31.7368 175.2016 37 Q 4.4792 8.3215 122.4797 56.7580 28.8078 176.6328 38 G 3.7283 7.6140 113.6806 45.8667 0.0000 173.5545 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 4.42 0.00 2.03 2.07 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 2.50 2.54 0.00 2 K 8.57 4.04 0.00 1.81 1.75 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 3 V 8.13 3.76 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 0.86 0.00 0.00 0.96 0.00 0.00 4 R 8.50 4.13 0.00 1.84 1.88 0.00 3.43 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 5 A 7.87 3.87 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 6 S 8.62 4.19 0.00 3.84 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 7 V 7.71 4.70 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 0.97 0.00 0.00 8 K 8.24 4.61 0.00 1.86 1.43 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 9 K 8.27 4.34 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.27 1.31 7.81 10 L 8.04 3.25 0.00 1.77 1.31 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.86 3.82 0.00 2.73 2.76 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 0.00 0.00 0.00 12 R 7.78 4.60 0.00 1.78 1.79 0.00 3.43 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 13 N 7.84 4.74 0.00 2.71 2.81 0.00 0.00 6.67 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 7.67 5.09 0.00 2.99 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 7.81 4.49 0.00 1.84 1.84 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.34 7.81 16 I 7.76 4.23 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 1.29 0.60 0.90 0.00 0.00 17 V 7.73 3.04 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 0.80 0.00 0.00 0.93 0.00 0.00 18 K 8.56 4.62 0.00 1.85 1.77 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.47 7.81 19 R 9.54 4.54 0.00 1.77 1.97 0.00 3.37 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 20 D 8.52 5.65 0.00 2.89 2.79 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 21 G 8.17 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.71 3.56 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 0.79 0.00 0.00 0.95 0.00 0.00 23 I 8.11 3.53 1.98 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 1.35 0.52 0.99 0.00 0.00 24 R 8.45 5.01 0.00 1.98 2.01 0.00 3.00 0.00 0.00 3.81 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 25 V 8.34 4.28 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 0.90 0.00 0.00 1.06 0.00 0.00 26 I 6.58 3.65 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 1.47 0.68 0.92 0.00 0.00 27 C 8.22 4.50 0.00 3.37 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 28 S 8.72 4.54 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.63 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 30 E 7.79 4.74 0.00 1.87 1.79 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 1.83 2.28 0.00 31 P 0.00 4.57 0.00 2.21 2.16 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 32 K 7.88 3.93 0.00 2.04 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 33 H 7.77 4.69 0.00 3.33 3.45 0.00 5.47 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.27 4.08 0.00 1.98 1.78 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 35 Q 8.26 4.25 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 36 R 8.16 4.62 0.00 1.84 1.75 0.00 3.10 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 37 Q 8.32 4.48 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 38 G 7.61 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00