NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7577 8.2676 118.2185 51.8989 38.7513 175.2786 5 P 4.0634 0.0000 0.0000 65.4268 31.2709 177.2991 6 A 3.9746 8.3785 122.2335 54.8960 18.7692 180.3931 7 A 3.9841 7.7843 119.3222 55.1905 18.3322 179.8239 8 E 3.8399 8.0474 116.6238 59.5119 29.6654 178.9933 9 K 3.7869 7.7374 119.6717 59.9618 32.2619 178.5267 10 M 3.9827 8.0283 118.6855 58.5752 31.9036 178.6328 11 Q 4.0084 8.0145 119.5466 58.7911 29.0932 178.2957 12 V 3.5340 8.3152 119.8868 66.0084 31.7515 177.8227 13 L 3.9765 8.0154 118.8304 58.2134 41.5336 179.7932 14 Q 4.1184 8.1042 117.4279 58.6709 28.5885 178.8765 15 V 3.6712 8.1186 120.1252 65.6737 31.5891 178.1336 16 L 4.0141 8.5952 119.3133 57.8856 41.5457 179.0075 17 D 4.1826 8.0105 117.7063 57.1399 41.0944 178.5580 18 R 3.8407 7.9439 118.4974 59.2567 30.1713 178.5714 19 L 3.9820 8.4163 119.2292 58.1240 41.7405 179.8324 20 R 4.0268 8.0433 115.6669 59.3527 29.2724 178.8765 21 G 3.6348 7.9344 106.2009 47.6339 0.0000 175.7595 22 K 4.0086 8.2000 121.0545 58.9778 31.9519 179.4770 23 L 3.9539 7.8438 119.4658 57.9167 41.4165 179.4472 24 Q 3.5888 8.3498 116.3525 59.4888 28.2801 178.3120 25 E 4.1859 7.8211 119.1560 58.7064 29.7557 178.7502 26 K 4.2090 8.2888 118.4721 58.5759 32.1995 177.5567 27 G 3.9863 8.1233 106.2213 45.4748 0.0000 174.3028 28 D 4.8231 7.7321 120.8348 52.9323 40.1315 175.7436 29 T 4.5578 7.9056 121.4097 63.9371 69.2764 176.3065 30 T 4.3574 7.8330 119.7314 65.6542 70.0727 177.4208 31 Q 3.7967 7.9645 120.0753 58.1996 28.6968 177.7908 32 N 4.2190 8.2684 118.3024 56.4065 36.9509 176.4983 33 E 4.0384 7.7442 121.1968 58.7063 29.6007 179.0897 34 K 4.0174 7.8274 118.0732 59.4281 32.3317 179.2040 35 L 4.3335 8.4410 119.5511 57.8664 41.3813 179.7446 36 S 4.1657 8.8296 115.3678 61.0209 62.6911 176.5983 37 A 4.0007 7.9723 123.7402 55.0992 18.1591 179.5051 38 F 4.3328 8.8087 119.5763 61.5644 39.2783 176.5475 39 Y 3.6649 7.9346 117.8760 60.6890 38.9117 177.7008 40 E 4.0968 8.5517 119.5459 59.9716 29.5436 179.5467 41 T 3.7940 8.1256 115.8548 66.6314 68.1632 176.6449 42 L 3.5907 7.5554 120.5581 57.4994 41.5851 179.3773 43 K 3.9807 7.4812 117.6679 57.6762 32.3296 177.7801 44 S 4.0399 7.1543 113.9626 58.4649 62.9005 173.1221 45 P 4.2537 0.0000 0.0000 65.5243 31.2882 178.2922 46 L 3.9321 7.9363 118.5749 58.2046 42.1466 178.5064 47 F 3.9111 8.2666 119.8507 61.5511 39.3052 176.4855 48 N 4.4820 8.8049 116.4488 56.4777 38.3784 177.1103 49 Q 3.9408 8.3378 121.1006 59.2491 29.2303 178.3443 50 I 3.6225 7.4691 120.4639 64.4870 37.0589 178.4778 51 L 4.0083 7.8108 119.5137 57.7789 41.5234 179.4429 52 T 3.8576 8.0745 116.1501 66.6871 68.5691 176.1519 53 L 3.9361 7.7597 121.6419 58.4311 42.1637 179.0345 54 Q 4.0358 8.0046 117.6907 59.0075 28.6020 178.9164 55 Q 4.0135 8.7041 119.6436 58.8933 28.8267 178.6393 56 S 4.0860 7.9095 113.8778 61.5429 62.5404 176.3046 57 I 3.7407 7.7049 122.1662 64.2936 36.7717 178.5132 58 K 3.9806 8.1045 119.4211 59.4692 31.8597 179.1156 59 Q 3.9629 7.9826 119.7428 58.9718 28.8692 178.0975 60 L 3.9514 7.7259 119.8033 57.8441 41.4959 179.6525 61 K 4.0354 7.7473 116.5503 59.5810 32.1277 179.3723 62 G 3.7479 7.8275 104.4551 47.7330 0.0000 175.5729 63 Q 4.3276 8.4240 119.7528 58.0441 29.7417 178.8145 64 L 4.3075 7.7984 123.6540 54.7435 39.7802 177.2587 65 S 4.1630 7.9968 116.6094 58.6162 62.2163 174.4889 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 N 8.27 4.76 0.00 2.89 3.02 0.00 0.00 5.88 6.88 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 5 P 0.00 4.06 0.00 2.52 2.36 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 6 A 8.38 3.97 1.33 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 7 A 7.78 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.05 3.84 0.00 2.19 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 0.00 2.41 2.32 0.00 9 K 7.74 3.79 0.00 1.75 1.93 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.40 7.81 10 M 8.03 3.98 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 11 Q 8.01 4.01 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 12 V 8.32 3.53 2.11 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 0.74 0.00 0.00 0.99 0.00 0.00 13 L 8.02 3.98 0.00 1.67 1.55 0.65 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.10 4.12 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 15 V 8.12 3.67 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 16 L 8.60 4.01 0.00 1.99 1.90 0.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.01 4.18 0.00 2.87 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 18 R 7.94 3.84 0.00 2.17 1.95 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 19 L 8.42 3.98 0.00 1.70 1.75 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.04 4.03 0.00 2.02 2.40 0.00 3.04 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 21 G 7.93 3.63 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 0.00 0.00 0.00 22 K 8.20 4.01 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 23 L 7.84 3.95 0.00 1.84 1.90 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.35 3.59 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 25 E 7.82 4.19 0.00 2.17 2.04 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 2.32 2.60 0.00 26 K 8.29 4.21 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 27 G 8.12 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 28 D 7.73 4.82 0.00 2.65 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 29 T 7.91 4.56 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 30 T 7.83 4.36 4.24 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 1.21 0.00 0.00 31 Q 7.96 3.80 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 32 N 8.27 4.22 0.00 2.88 3.09 0.00 0.00 5.89 7.68 0.00 0.00 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 E 7.74 4.04 0.00 1.99 2.00 0.00 0.00 0.00 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 2.36 0.00 34 K 7.83 4.02 0.00 1.94 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.48 7.81 35 L 8.44 4.33 0.00 1.75 1.86 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.83 4.17 0.00 3.99 3.90 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 37 A 7.97 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.33 0.00 2.97 3.06 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 0.00 0.00 0.00 39 Y 7.93 3.66 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.55 4.10 0.00 2.18 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 2.57 2.72 0.00 41 T 8.13 3.79 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 0.76 0.00 0.00 42 L 7.56 3.59 0.00 1.26 1.32 -0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.48 3.98 0.00 1.64 1.74 0.00 1.28 0.00 0.00 1.41 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.16 7.81 44 S 7.15 4.04 0.00 3.81 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 45 P 0.00 4.25 0.00 2.21 2.09 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 46 L 7.94 3.93 0.00 1.78 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.27 3.91 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 48 N 8.80 4.48 0.00 3.07 2.90 0.00 0.00 6.92 7.79 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 49 Q 8.34 3.94 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 50 I 7.47 3.62 1.59 0.00 0.00 0.64 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 1.05 0.73 0.00 0.00 51 L 7.81 4.01 0.00 1.78 1.77 1.29 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 L 7.76 3.94 0.00 1.73 1.79 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.00 4.04 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 55 Q 8.70 4.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 56 S 7.91 4.09 0.00 3.92 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 57 I 7.70 3.74 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 0.91 0.00 0.00 58 K 8.10 3.98 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 59 Q 7.98 3.96 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 60 L 7.73 3.95 0.00 2.03 1.71 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.75 4.04 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 62 G 7.83 3.75 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 0.00 0.00 0.00 63 Q 8.42 4.33 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.20 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 64 L 7.80 4.31 0.00 1.69 1.65 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.00 4.16 0.00 3.78 3.66 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 0.00 0.00 0.00 0.00