NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3765 8.2893 120.3492 55.3666 33.3263 175.1641 2 K 4.1664 8.2871 125.0303 54.1895 33.9359 170.4285 3 V 4.1493 9.0069 125.0191 60.5823 34.4197 176.2075 4 R 3.9409 8.4203 120.6221 56.7920 29.8362 177.8354 5 A 4.6263 8.1703 123.0227 51.4797 20.8782 178.3422 6 S 4.7027 7.3821 116.5326 57.4623 64.3780 176.5822 7 V 3.7196 7.6948 117.9800 62.1975 32.3258 176.8906 8 K 3.8795 7.0969 120.2850 56.5222 32.5996 176.6463 9 R 4.1131 8.4061 119.9720 57.0396 30.4597 176.6619 10 I 4.4560 8.0894 118.3804 61.4219 39.7570 175.5860 11 C 4.4640 7.4937 114.2701 57.8538 31.0520 173.0714 12 D 4.5797 8.8049 116.3335 56.1651 41.2406 177.1349 13 K 4.5169 7.8922 116.3271 56.3399 32.2940 175.7910 14 C 4.5572 7.8727 116.7987 59.4958 29.1963 173.2454 15 K 4.6361 8.8168 121.6187 54.6064 35.6595 175.1854 16 V 4.7169 8.4836 124.4969 61.6298 32.8275 175.2045 17 I 4.4972 9.0359 129.1860 60.1298 39.9598 174.8931 18 R 4.6603 8.2018 121.5617 54.8103 32.9930 174.6921 19 R 4.4503 8.7215 126.6163 55.3413 32.3308 173.5196 20 H 4.0414 9.0416 108.7966 57.2455 27.9576 174.5560 21 G 4.0396 8.3472 106.2346 45.7599 0.0000 170.5245 22 R 4.6549 7.5388 117.3806 53.9934 33.4589 174.9363 23 V 4.3494 8.1044 122.1320 61.2010 34.5636 173.9080 24 Y 5.3829 8.0410 122.5306 56.3888 42.5043 174.9180 25 V 4.7659 9.3810 123.0259 61.2034 32.9524 173.4110 26 I 4.7601 8.5257 120.9374 59.3529 39.7387 174.4420 27 C 4.9057 8.4307 124.2546 57.6697 34.1709 173.0618 28 E 3.9357 9.1571 125.6033 59.0320 29.6489 176.7937 29 N 4.6224 7.9381 118.0235 51.5829 39.7993 173.6824 30 P 4.4068 0.0000 0.0000 65.0175 31.6377 178.2421 31 K 4.1524 8.6016 118.5345 58.8552 31.9806 177.0852 32 H 5.0774 7.8032 114.9741 55.1965 29.7566 174.7791 33 K 5.0760 7.9163 118.9903 56.2832 32.6076 175.9737 34 Q 4.7521 8.5685 123.0891 54.3189 33.8347 175.2527 35 R 4.9270 8.3685 118.8741 54.9758 32.8596 174.8120 36 Q 3.9657 8.9205 126.6847 56.9524 30.4916 176.5946 37 G 4.0712 8.9277 113.4510 45.9939 0.0000 173.4916 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 8.29 4.38 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 K 8.29 4.17 0.00 1.94 1.76 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.50 7.81 3 V 9.01 4.15 2.17 0.00 0.00 0.00 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 0.98 0.00 0.00 4 R 8.42 3.94 0.00 1.82 1.78 0.00 3.41 0.00 0.00 3.23 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 5 A 8.17 4.63 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 6 S 7.38 4.70 0.00 3.84 3.76 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 7 V 7.69 3.72 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 0.84 0.00 0.00 0.98 0.00 0.00 8 K 7.10 3.88 0.00 1.58 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 9 R 8.41 4.11 0.00 1.79 1.88 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 10 I 8.09 4.46 1.51 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.63 0.00 0.00 11 C 7.49 4.46 0.00 3.07 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 12 D 8.80 4.58 0.00 2.68 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 13 K 7.89 4.52 0.00 1.73 1.82 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.51 7.81 14 C 7.87 4.56 0.00 2.88 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 15 K 8.82 4.64 0.00 1.87 1.67 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 16 V 8.48 4.72 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 0.72 0.00 0.00 0.93 0.00 0.00 17 I 9.04 4.50 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 1.00 0.00 0.00 18 R 8.20 4.66 0.00 1.56 1.70 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 19 R 8.72 4.45 0.00 1.68 1.83 0.00 3.47 0.00 0.00 3.42 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 20 H 9.04 4.04 0.00 3.29 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.35 4.04 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 0.00 0.00 0.00 22 R 7.54 4.65 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 23 V 8.10 4.35 1.98 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 0.85 0.00 0.00 0.82 0.00 0.00 24 Y 8.04 5.38 0.00 2.98 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 25 V 9.38 4.77 2.35 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 1.03 0.00 0.00 0.98 0.00 0.00 26 I 8.53 4.76 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.98 0.00 0.00 27 C 8.43 4.91 0.00 3.00 2.96 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 28 E 9.16 3.94 0.00 1.96 1.98 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 2.29 2.32 0.00 29 N 7.94 4.62 0.00 2.75 2.50 0.00 0.00 6.55 7.50 0.00 0.00 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 P 0.00 4.41 0.00 2.24 2.28 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 31 K 8.60 4.15 0.00 1.84 1.97 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.46 7.81 32 H 7.80 5.08 0.00 3.03 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.92 5.08 0.00 1.79 1.87 0.00 1.44 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.35 7.81 34 Q 8.57 4.75 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 35 R 8.37 4.93 0.00 1.71 2.01 0.00 3.13 0.00 0.00 2.84 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 36 Q 8.92 3.97 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 5.94 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 37 G 8.93 4.07 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 0.00 0.00 0.00