NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3425 8.2993 120.1499 55.9224 33.7379 175.4365 2 S 4.2818 8.1873 115.3144 57.3078 64.9785 172.7683 3 P 4.3949 0.0000 0.0000 65.7702 31.3650 179.8834 4 E 3.9928 8.1687 117.7876 58.9533 29.7309 178.3341 5 E 4.0069 7.8743 118.6361 59.1387 29.7558 178.7267 6 L 4.2539 8.1508 119.1980 57.7463 41.6681 179.3801 7 K 3.5256 8.2461 119.7836 58.8850 32.0118 179.1953 8 G 3.5728 7.7197 106.3606 47.8411 0.0000 175.7183 9 I 3.8265 7.8041 122.4383 63.8884 37.2430 177.9499 10 F 3.9118 8.7772 121.7435 61.7193 39.1057 177.1019 11 E 3.9483 8.5297 117.8324 59.5442 29.0751 179.5901 12 K 3.7761 7.6059 116.5885 59.6095 32.2917 178.8140 13 Y 4.0182 7.5447 115.0896 61.0502 37.8377 177.7489 14 A 4.0781 7.8697 121.8462 54.3219 18.4450 178.9169 15 A 4.2984 7.2401 115.5804 53.1252 18.9821 178.6948 16 K 4.0608 8.1187 115.9948 58.8848 32.2359 176.4875 17 E 4.6676 8.7884 114.6334 55.6922 33.4458 178.7985 18 G 3.7067 8.2849 109.9216 46.6055 0.0000 176.1787 19 D 4.4445 8.6926 126.7330 53.0898 41.0919 174.3089 20 P 4.8546 0.0000 0.0000 63.4036 31.6182 176.2561 21 N 4.9597 8.1765 115.3316 53.5815 39.7756 174.4692 22 Q 5.1951 7.7157 115.0411 54.0104 33.5006 174.2420 23 L 4.9207 9.6614 122.6218 53.8837 43.6870 176.6952 24 S 4.8464 8.6838 117.6170 57.0364 65.1558 175.2035 25 K 3.2441 8.0665 121.0335 59.4137 31.7446 178.7804 26 E 3.9316 7.8989 118.4051 59.4704 29.4060 179.0333 27 E 4.0505 8.2656 118.6561 59.2238 29.4304 179.1642 28 L 4.0266 8.0028 120.5832 57.8196 42.1619 178.9324 29 K 3.9105 8.0939 119.7078 59.3519 32.1749 178.4453 30 L 3.9361 7.9837 120.5868 58.0447 41.9305 178.6308 31 L 2.4592 7.9148 120.3815 57.6784 42.0300 178.8192 32 L 4.1662 8.0406 119.2014 57.9728 41.4198 179.6759 33 Q 4.0131 8.2670 116.4574 59.5464 28.6928 178.3401 34 T 3.9899 7.6369 116.7146 66.1301 68.6349 176.1587 35 E 3.9394 7.9467 118.7786 57.4597 31.5856 177.1893 36 F 4.9912 7.5861 115.9701 54.5146 38.0419 173.7058 37 P 4.2730 0.0000 0.0000 65.5366 31.7578 178.4362 38 S 4.5475 7.9971 109.2925 58.6286 63.7043 175.0312 39 L 4.1252 8.0980 122.3929 57.6955 41.3958 177.9358 40 L 4.3800 7.3165 113.7079 56.1271 41.2750 176.7653 41 K 4.7186 7.7301 118.6333 56.3828 33.0683 174.9292 42 G 4.4247 7.5371 110.2481 44.1965 0.0000 171.4990 43 P 4.3526 0.0000 0.0000 64.9442 31.9023 176.8984 44 S 4.7782 7.7641 114.3196 57.5457 64.4315 174.0676 45 T 4.4717 8.2834 113.7305 60.3466 71.5949 175.7608 46 L 3.9638 8.3395 122.5921 58.4517 42.0534 178.5916 47 D 4.4604 8.1716 118.5069 57.5916 40.7950 178.6685 48 E 4.0837 8.1137 117.6384 59.0443 29.5363 178.9482 49 L 3.9356 8.2368 121.9530 57.8195 42.2063 178.3664 50 F 4.0493 8.6929 121.1306 61.5406 39.0490 176.9833 51 E 3.9109 7.9796 116.5231 59.2682 29.3360 178.6378 52 E 4.0200 7.6616 117.7191 59.3012 29.8045 178.6822 53 L 4.2149 7.7864 117.7813 56.9188 42.4479 178.2774 54 D 4.4481 7.6359 120.2099 53.9502 39.8009 176.0646 55 K 4.0626 8.4702 124.7937 59.1899 32.6772 178.8805 56 N 4.3427 8.2908 114.6458 56.7209 37.3366 176.5632 57 G 4.1952 8.5372 106.8218 45.1855 0.0000 173.4716 58 D 4.5542 8.3568 116.8242 52.7934 39.7353 177.1951 59 G 4.1832 8.7287 107.8659 45.9100 0.0000 173.2066 60 E 5.3311 8.1925 117.5905 54.4133 33.6719 175.4781 61 V 4.6758 8.9557 122.5150 61.3639 33.9781 175.6996 62 S 5.2155 9.2237 123.7737 57.3863 64.8167 175.1940 63 F 3.3293 8.5734 121.0733 61.0373 39.0754 176.3582 64 E 3.8624 7.9938 117.8298 59.3882 29.4951 179.0099 65 E 3.9002 7.9060 118.7683 59.3035 29.5407 179.1441 66 F 4.1994 8.1488 120.6779 61.0745 39.3201 176.9104 67 Q 3.8018 7.4509 118.1008 59.5541 28.3763 179.1805 68 V 3.1968 7.0725 117.0788 66.0059 32.2720 177.3687 69 L 3.6578 7.5538 119.4372 58.2890 41.7268 179.2416 70 V 3.2804 7.2443 117.8623 66.1467 31.0839 177.8870 71 K 3.8249 7.6401 119.1567 59.4619 31.7746 178.9780 72 K 3.9736 7.9463 118.1717 59.1138 32.0310 179.2250 73 I 3.6554 7.2387 118.8425 64.5838 37.2086 178.3937 74 S 4.2916 8.4124 114.3016 60.8717 62.6838 174.7498 75 Q 4.2390 7.5050 126.5945 56.3379 28.9640 175.2998 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 K 8.30 4.34 0.00 1.88 2.37 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.56 7.81 2 S 8.19 4.28 0.00 4.17 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 3 P 0.00 4.39 0.00 2.25 2.24 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 4 E 8.17 3.99 0.00 2.09 1.96 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 2.38 2.42 0.00 5 E 7.87 4.01 0.00 2.17 2.26 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 2.41 2.41 0.00 6 L 8.15 4.25 0.00 2.17 2.08 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.25 3.53 0.00 1.26 1.71 0.00 1.14 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.23 0.56 7.81 8 G 7.72 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.83 2.26 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 1.21 0.00 0.00 10 F 8.78 3.91 0.00 2.85 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 11 E 8.53 3.95 0.00 2.38 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 2.37 2.47 0.00 12 K 7.61 3.78 0.00 1.54 1.42 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.60 7.81 13 Y 7.54 4.02 0.00 3.02 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 14 A 7.87 4.08 0.87 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 0.00 0.00 15 A 7.24 4.30 1.35 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 16 K 8.12 4.06 0.00 1.71 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.52 7.81 17 E 8.79 4.67 0.00 2.01 1.87 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 2.37 2.23 0.00 18 G 8.28 3.71 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 0.00 0.00 0.00 19 D 8.69 4.44 0.00 2.76 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 20 P 0.00 4.85 0.00 2.22 2.14 0.00 3.41 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 21 N 8.18 4.96 0.00 3.09 3.01 0.00 0.00 6.70 6.99 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 22 Q 7.72 5.20 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 23 L 9.66 4.92 0.00 1.72 1.70 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.68 4.85 0.00 3.90 4.08 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 0.00 0.00 0.00 0.00 25 K 8.07 3.24 0.00 1.09 1.50 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 0.99 7.81 26 E 7.90 3.93 0.00 2.13 1.96 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 2.33 2.31 0.00 27 E 8.27 4.05 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 2.45 2.32 0.00 28 L 8.00 4.03 0.00 1.99 1.93 1.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.09 3.91 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 L 7.98 3.94 0.00 2.08 1.93 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.91 2.46 0.00 1.21 1.63 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.04 4.17 0.00 2.00 1.78 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.27 4.01 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 34 T 7.64 3.99 4.31 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 1.26 0.00 0.00 35 E 7.95 3.94 0.00 1.36 1.12 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 0.00 2.26 2.41 0.00 36 F 7.59 4.99 0.00 3.19 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 37 P 0.00 4.27 0.00 2.19 2.14 0.00 3.59 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 2.11 2.49 0.00 38 S 8.00 4.55 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 39 L 8.10 4.13 0.00 1.94 1.77 0.70 0.67 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 40 L 7.32 4.38 0.00 1.73 1.82 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.73 4.72 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.40 7.81 42 G 7.54 4.42 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 0.00 43 P 0.00 4.35 0.00 2.19 2.19 0.00 3.75 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 1.97 1.97 0.00 44 S 7.76 4.78 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.47 4.26 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 1.24 0.00 0.00 46 L 8.34 3.96 0.00 1.80 1.73 0.97 1.14 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 47 D 8.17 4.46 0.00 2.79 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 48 E 8.11 4.08 0.00 2.25 2.23 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 2.60 2.32 0.00 49 L 8.24 3.94 0.00 2.03 1.92 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.69 4.05 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.91 0.00 2.18 1.99 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 2.60 2.50 0.00 52 E 7.66 4.02 0.00 2.06 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 0.00 2.26 2.31 0.00 53 L 7.79 4.21 0.00 1.43 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.64 4.45 0.00 1.77 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.06 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.36 7.81 56 N 8.29 4.34 0.00 2.81 2.94 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.54 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.36 4.55 0.00 2.83 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 59 G 8.73 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 0.00 0.00 0.00 0.00 60 E 8.19 5.33 0.00 1.87 1.95 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 2.45 2.44 0.00 61 V 8.96 4.68 2.37 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 1.31 0.00 0.00 0.72 0.00 0.00 62 S 9.22 5.22 0.00 4.00 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 0.00 63 F 8.57 3.33 0.00 2.19 2.94 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 64 E 7.99 3.86 0.00 1.96 1.90 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 2.39 2.32 0.00 65 E 7.91 3.90 0.00 2.17 1.97 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 2.28 2.29 0.00 66 F 8.15 4.20 0.00 3.26 2.94 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 67 Q 7.45 3.80 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.35 0.00 0.00 0.00 0.00 0.00 2.13 1.81 0.00 68 V 7.07 3.20 1.96 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 0.78 0.00 0.00 0.83 0.00 0.00 69 L 7.55 3.66 0.00 1.45 1.06 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.24 3.28 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 0.90 0.00 0.00 0.92 0.00 0.00 71 K 7.64 3.82 0.00 1.72 1.85 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 72 K 7.95 3.97 0.00 1.67 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 73 I 7.24 3.66 1.66 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.02 0.54 0.00 0.00 74 S 8.41 4.29 0.00 3.77 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 75 Q 7.50 4.24 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00