NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8554 8.3549 109.7362 43.1832 0.0000 174.7287 2 S 3.5563 8.9038 113.8397 58.5242 60.2624 170.0798 3 S 4.5616 8.1891 112.7408 57.5112 67.0475 173.0550 4 G 4.2317 8.8321 113.1858 46.4428 0.0000 173.2979 5 S 4.1119 7.5445 115.4207 60.6542 63.2631 174.1287 6 S 4.5559 7.7797 112.3155 57.0028 66.3802 171.8120 7 G 3.3766 7.8030 107.0562 44.7778 0.0000 173.1963 8 E 4.6791 7.4213 115.2652 53.8222 32.7960 173.3666 9 P 4.4782 0.0000 0.0000 61.3740 32.2474 174.0710 10 P 4.2927 0.0000 0.0000 62.5919 31.2213 177.2527 11 K 4.2856 8.4634 123.8394 55.6722 30.3024 175.6440 12 L 4.6964 7.8862 122.1089 52.2538 42.2003 175.2547 13 V 4.1872 7.5113 118.2828 62.1229 33.6913 174.7875 14 N 4.3345 7.3582 114.1518 53.0186 40.9629 173.5613 15 D 4.4384 8.5486 122.4283 56.4430 41.8081 177.0974 16 K 4.6600 7.3752 120.0544 53.7054 32.1215 172.1174 17 P 4.7634 0.0000 0.0000 62.2281 32.4043 177.0739 18 H 3.8360 7.9401 120.6685 56.5801 29.7916 175.6308 19 K 4.2622 7.7991 119.5335 54.5239 32.9057 175.6682 20 F 5.6454 7.6237 122.4550 55.8884 40.7163 174.4666 21 K 4.7069 8.3611 119.9484 54.5122 35.8954 174.2032 22 D 4.2586 8.8818 126.0149 54.5264 39.1267 174.8338 23 H 4.7404 8.0437 119.9802 54.3979 34.2409 171.5974 24 F 4.9667 7.9577 120.8424 55.7221 40.4497 175.7142 25 F 4.5297 8.5829 123.4463 56.4386 38.6101 175.5499 26 K 4.0439 9.0056 126.8935 58.5080 32.0893 177.3320 27 K 4.6482 7.7692 115.2982 53.7076 35.1396 174.0245 28 P 4.3149 0.0000 0.0000 63.1568 31.4157 176.0566 29 K 4.4502 8.2254 124.9892 55.5797 34.4493 175.4557 30 F 4.8764 8.3861 119.2643 55.7729 41.1872 175.9693 31 C 5.1226 8.1647 120.0068 59.6401 28.9264 173.8112 32 D 4.6187 8.6524 118.4130 54.5759 42.2841 177.2700 33 V 4.0561 7.7904 117.3129 64.9753 32.4263 176.3956 34 C 4.1328 8.0635 112.3931 58.8235 30.3640 173.1196 35 A 3.9645 7.9461 119.6516 53.8152 14.5454 177.5561 36 R 4.6831 7.6098 118.7281 54.9859 34.0949 175.6015 37 M 3.1450 8.6768 122.9367 56.3117 32.4915 176.5738 38 I 4.1968 8.4368 128.5540 60.2322 35.7318 175.4616 39 V 4.2650 7.9930 125.6578 61.6263 33.7956 176.9717 40 L 4.3411 7.8661 119.8610 55.4955 42.0137 175.8367 41 N 4.4228 9.3606 113.9974 55.0413 36.2336 173.9362 42 N 4.1858 9.1187 108.6977 54.6071 36.7833 174.3663 43 K 3.9955 8.0645 110.9318 57.8685 30.1010 176.4636 44 F 4.9130 8.3068 121.3509 56.6787 40.7880 173.7555 45 G 3.9455 7.7645 121.6486 45.3043 0.0000 172.5430 46 L 4.9533 9.1281 125.4430 52.7510 45.7026 174.6899 47 R 5.9198 8.3152 123.3692 53.9165 32.5635 174.4573 48 C 4.9147 9.0883 127.3085 58.8309 32.8809 173.4543 49 K 4.2856 8.4171 124.6082 57.0540 32.2808 176.0775 50 N 4.8222 7.8938 113.8625 55.0948 40.8491 175.3309 51 C 4.2974 8.0151 111.0139 57.8595 31.0092 173.1791 52 K 4.4790 7.8653 117.7714 57.4567 28.6873 174.3397 53 T 4.6339 7.6216 112.8016 60.7874 70.9494 172.9438 54 N 5.5765 8.3757 120.6512 51.2413 42.0964 173.7928 55 I 4.6994 8.0165 115.5271 59.3267 41.5570 174.7013 56 H 4.4253 8.4694 121.1087 55.3929 29.1847 176.1141 57 E 3.9033 8.6146 122.0314 58.6401 29.2986 177.2088 58 H 4.6210 7.6632 112.6515 56.9943 30.0709 175.7948 59 C 4.8245 7.6478 115.6566 60.5311 28.0132 174.6265 60 Q 4.0693 7.4145 120.7974 58.5281 28.6740 177.5648 61 S 3.9827 7.7123 113.6060 61.6350 62.2566 175.5901 62 Y 4.4635 7.0552 117.3783 59.7974 37.7858 176.6620 63 V 4.6239 7.8832 113.5129 61.0735 32.5705 177.0978 64 E 4.3212 8.5486 121.9124 58.6827 29.6947 177.7801 65 M 4.7037 7.9089 115.1251 54.7661 31.7328 174.6573 66 Q 4.5929 7.9894 120.7190 55.2104 31.3472 174.4271 67 R 4.2657 8.7758 125.3766 56.9798 30.7183 175.8616 68 C 3.9443 8.9449 126.0166 59.3073 32.1638 173.4207 69 S 4.3262 8.5660 121.0456 57.6937 63.0926 173.3409 70 G 4.1916 8.3316 116.5623 42.6641 0.0000 169.4597 71 P 4.5401 0.0000 0.0000 62.4974 32.2605 176.6084 72 S 4.4690 8.2346 113.0051 55.7030 61.8863 171.1231 73 S 4.4812 8.2301 116.3429 59.5071 63.4946 175.3585 74 G 4.0291 8.7884 113.8460 45.8129 0.0000 171.9567 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 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.90 3.56 0.00 4.08 3.93 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 0.00 0.00 0.00 3 S 8.19 4.56 0.00 3.76 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 4 G 8.83 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 0.00 0.00 0.00 0.00 5 S 7.54 4.11 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.78 4.56 0.00 3.95 3.79 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 7 G 7.80 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.42 4.68 0.00 2.03 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 2.17 2.29 0.00 9 P 0.00 4.48 0.00 2.20 2.11 0.00 3.76 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 1.98 1.95 0.00 10 P 0.00 4.29 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 K 8.46 4.29 0.00 1.75 1.82 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.51 7.81 12 L 7.89 4.70 0.00 1.56 1.56 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.51 4.19 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 14 N 7.36 4.33 0.00 2.64 2.60 0.00 0.00 7.06 8.48 0.00 0.00 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 D 8.55 4.44 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.38 4.66 0.00 1.74 1.57 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.33 7.81 17 P 0.00 4.76 0.00 2.08 2.08 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 18 H 7.94 3.84 0.00 2.79 1.87 0.00 5.59 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 19 K 7.80 4.26 0.00 1.46 1.57 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.27 7.81 20 F 7.62 5.65 0.00 2.92 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 21 K 8.36 4.71 0.00 1.78 1.57 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 22 D 8.88 4.26 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.04 4.74 0.00 3.05 2.68 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.96 4.97 0.00 2.84 2.93 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 0.00 0.00 0.00 25 F 8.58 4.53 0.00 3.11 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 26 K 9.01 4.04 0.00 1.82 1.97 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 27 K 7.77 4.65 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.45 7.81 28 P 0.00 4.31 0.00 1.95 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 29 K 8.23 4.45 0.00 1.17 1.56 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.35 7.81 30 F 8.39 4.88 0.00 2.79 2.91 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 31 C 8.16 5.12 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 4.62 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 4.06 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 0.81 0.00 0.00 1.03 0.00 0.00 34 C 8.06 4.13 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.68 0.00 1.75 1.81 0.00 3.35 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 37 M 8.68 3.14 0.00 1.75 1.40 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 1.94 2.24 0.00 38 I 8.44 4.20 1.49 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.48 0.76 0.00 0.00 39 V 7.99 4.26 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 0.76 0.00 0.00 0.94 0.00 0.00 40 L 7.87 4.34 0.00 1.83 1.69 0.93 0.76 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 41 N 9.36 4.42 0.00 3.12 3.08 0.00 0.00 7.09 8.08 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 42 N 9.12 4.19 0.00 3.02 2.94 0.00 0.00 7.27 7.63 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 43 K 8.06 4.00 0.00 2.22 2.20 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.45 7.81 44 F 8.31 4.91 0.00 2.92 3.23 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 0.00 45 G 7.76 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.13 4.95 0.00 1.28 1.37 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.32 5.92 0.00 1.94 1.76 0.00 3.09 0.00 0.00 3.16 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 48 C 9.09 4.91 0.00 3.45 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 49 K 8.42 4.29 0.00 1.92 1.86 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.36 7.81 50 N 7.89 4.82 0.00 2.63 2.79 0.00 0.00 6.91 7.58 0.00 0.00 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 C 8.02 4.30 0.00 3.13 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 52 K 7.87 4.48 0.00 1.96 2.00 0.00 1.68 0.00 0.00 2.32 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.47 7.81 53 T 7.62 4.63 4.33 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 1.39 0.00 0.00 54 N 8.38 5.58 0.00 2.28 1.83 0.00 0.00 6.20 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.02 4.70 1.61 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 0.34 -0.00 0.70 0.00 0.00 56 H 8.47 4.43 0.00 2.80 2.84 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.61 3.90 0.00 1.89 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 2.28 2.32 0.00 58 H 7.66 4.62 0.00 3.30 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 7.65 4.82 0.00 3.08 3.03 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 60 Q 7.41 4.07 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 61 S 7.71 3.98 0.00 3.64 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.06 4.46 0.00 3.03 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 63 V 7.88 4.62 2.36 0.00 0.00 0.00 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 1.13 0.00 0.00 64 E 8.55 4.32 0.00 2.13 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 2.44 2.23 0.00 65 M 7.91 4.70 0.00 2.08 2.30 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 2.49 2.56 0.00 66 Q 7.99 4.59 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 67 R 8.78 4.27 0.00 1.72 1.87 0.00 3.25 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 C 8.94 3.94 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.57 4.33 0.00 3.82 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 70 G 8.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.54 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 72 S 8.23 4.47 0.00 3.80 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 73 S 8.23 4.48 0.00 3.98 3.87 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 74 G 8.79 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 0.00 0.00 0.00