NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3362 8.1927 115.2837 57.6071 63.9959 173.9785 2 I 3.3115 8.3507 123.2825 63.7254 37.4552 176.0200 3 S 4.1209 8.2909 113.7358 61.3887 62.5310 175.3442 4 S 4.0887 8.1747 115.8885 61.4661 62.0219 176.3536 5 R 3.8990 7.7931 119.9819 59.7387 29.9617 178.3915 6 V 3.7310 7.8908 117.5246 66.5751 31.3407 177.6607 7 K 3.8543 8.8911 117.9654 60.1081 32.2025 179.3076 8 S 4.2476 8.8100 114.4351 61.4768 62.6320 176.4353 9 K 3.9002 8.0375 122.8312 59.6256 31.9602 178.2760 10 M 3.9980 7.9810 118.6588 58.7474 31.7770 178.6390 11 I 3.6820 7.8714 118.3874 64.7355 37.4367 177.7965 12 Q 4.1163 7.8004 118.5837 59.3829 28.9806 178.2542 13 L 4.1376 8.0007 119.1067 56.4853 41.7059 178.0629 14 G 4.0413 8.1374 105.3267 45.3191 0.0000 173.9597 15 L 4.4082 7.6239 119.3355 54.0983 42.9389 174.9370 16 N 5.0165 8.0084 115.3890 50.9255 40.4327 174.6151 17 Q 3.9818 8.8608 115.4156 59.6568 28.4810 178.5666 18 A 4.2029 8.7379 123.5150 54.2628 18.4144 179.0775 19 E 3.8567 8.1353 115.6923 60.0501 29.6326 178.9415 20 L 3.8461 8.3053 119.5515 58.6506 41.9015 178.6048 21 A 3.8203 8.6259 120.2715 55.4394 18.2007 179.0708 22 Q 3.8370 8.0686 116.9007 59.4333 29.1978 178.1841 23 K 4.0148 8.2590 120.2750 59.4611 32.3319 178.7401 24 V 3.7735 7.8784 118.0820 65.0292 31.7755 177.3346 25 G 3.6796 8.3515 104.9426 46.7897 0.0000 172.4227 26 T 4.4321 7.3367 114.5723 59.8005 70.1873 172.7809 27 T 4.3554 7.7500 110.7698 60.3090 70.0665 175.3324 28 Q 3.8756 8.7275 125.1156 59.4101 29.5364 178.3037 29 Q 4.0206 8.3823 116.1638 60.0158 28.0755 179.3909 30 S 4.2528 8.0008 116.7342 61.0777 62.7613 176.8978 31 I 3.7999 7.7324 122.6929 64.2581 36.6702 177.8480 32 E 3.9082 8.1233 118.2808 59.5056 29.7048 178.0434 33 Q 4.1076 8.4610 119.8371 59.0328 29.1062 177.8706 34 L 3.9929 8.4042 121.7732 58.3203 41.8933 178.0359 35 E 4.2630 7.8457 115.0484 56.6540 29.4360 176.4624 36 N 4.8397 8.1476 114.3227 52.3856 39.1895 174.3952 37 G 4.0504 7.7700 105.6242 46.8511 0.0000 175.4286 38 K 4.2157 8.1925 120.5191 58.3328 32.6812 177.9515 39 T 4.6315 7.3765 113.9278 62.1328 72.4688 173.8312 40 K 4.0633 8.8033 125.9519 58.7927 32.4846 177.8026 41 R 4.3341 7.4329 118.9405 53.6215 29.0989 174.0497 42 P 4.3799 0.0000 0.0000 61.9881 32.2948 177.1294 43 R 4.3251 8.1930 114.0358 56.3992 29.8243 177.1238 44 F 4.7665 7.3497 108.9958 56.8986 38.8495 175.2975 45 L 3.7597 7.6014 125.2617 58.5789 41.6605 176.9734 46 P 4.2631 0.0000 0.0000 66.0447 31.1803 177.8681 47 E 4.1035 8.2905 119.3154 58.4061 29.3101 179.0822 48 L 4.0746 8.6512 120.3790 58.1187 42.1662 178.6876 49 A 4.0853 8.3518 121.3780 55.3170 18.0996 179.8190 50 S 4.0582 8.4753 112.6584 61.5097 62.9364 176.4334 51 A 4.0207 7.9647 123.5860 54.5028 18.2514 178.7113 52 L 4.3842 8.1154 114.2346 53.4599 42.7831 176.6707 53 G 3.8640 8.0232 107.1744 47.1386 0.0000 172.9291 54 V 4.1414 7.8382 110.3485 58.8081 35.4513 176.2240 55 S 4.6615 8.0348 114.2042 57.2387 64.7679 174.7218 56 V 3.6774 8.2567 125.1007 65.9368 31.3821 177.5457 57 D 4.4238 8.2824 118.5771 56.6696 38.7807 178.5170 58 W 4.0996 8.4525 130.3067 59.6473 30.4916 177.7860 59 L 3.7818 8.1180 117.6551 57.7006 41.2104 179.1103 60 L 4.0180 7.9394 118.9051 58.6473 42.2479 177.5945 61 N 4.3893 8.7075 116.1965 49.8592 39.5721 175.3639 62 G 3.1882 7.7126 111.6823 46.4864 0.0000 173.2996 63 T 3.7694 7.5252 111.5054 62.5059 69.9548 172.9314 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 S 8.19 4.34 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.31 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.86 0.00 0.00 3 S 8.29 4.12 0.00 4.07 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 4 S 8.17 4.09 0.00 3.90 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 5 R 7.79 3.90 0.00 1.93 1.72 0.00 2.94 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 6 V 7.89 3.73 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 7 K 8.89 3.85 0.00 1.93 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.62 7.81 8 S 8.81 4.25 0.00 4.04 4.17 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 0.00 0.00 0.00 0.00 9 K 8.04 3.90 0.00 2.29 1.91 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.52 7.81 10 M 7.98 4.00 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 11 I 7.87 3.68 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.35 0.93 0.00 0.00 12 Q 7.80 4.12 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 13 L 8.00 4.14 0.00 1.84 1.72 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.14 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 15 L 7.62 4.41 0.00 1.66 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.01 5.02 0.00 2.88 2.90 0.00 0.00 5.92 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.86 3.98 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 18 A 8.74 4.20 1.31 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 0.00 0.00 19 E 8.14 3.86 0.00 2.19 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 2.41 2.46 0.00 20 L 8.31 3.85 0.00 1.80 1.87 0.98 1.19 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 21 A 8.63 3.82 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.84 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 23 K 8.26 4.01 0.00 1.86 1.83 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 24 V 7.88 3.77 2.12 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 0.73 0.00 0.00 0.99 0.00 0.00 25 G 8.35 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.34 4.43 3.41 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 0.38 0.00 0.00 27 T 7.75 4.36 4.21 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 1.19 0.00 0.00 28 Q 8.73 3.88 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 29 Q 8.38 4.02 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 30 S 8.00 4.25 0.00 3.96 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 31 I 7.73 3.80 1.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.97 0.00 0.00 32 E 8.12 3.91 0.00 1.97 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 0.00 2.31 2.39 0.00 33 Q 8.46 4.11 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 34 L 8.40 3.99 0.00 2.11 1.88 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.85 4.26 0.00 2.19 1.94 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 2.33 2.33 0.00 36 N 8.15 4.84 0.00 2.84 2.94 0.00 0.00 7.09 8.79 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 37 G 7.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.22 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.41 7.81 39 T 7.38 4.63 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 1.20 0.00 0.00 40 K 8.80 4.06 0.00 1.70 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 41 R 7.43 4.33 0.00 1.73 1.82 0.00 3.33 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 42 P 0.00 4.38 0.00 0.82 1.76 0.00 3.48 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 1.53 1.51 0.00 43 R 8.19 4.33 0.00 2.03 2.11 0.00 3.17 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 44 F 7.35 4.77 0.00 3.17 3.21 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 45 L 7.60 3.76 0.00 1.65 1.65 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.26 0.00 2.33 2.31 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 47 E 8.29 4.10 0.00 2.35 2.31 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 2.50 2.29 0.00 48 L 8.65 4.07 0.00 2.10 1.89 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.35 4.09 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.48 4.06 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.02 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 52 L 8.12 4.38 0.00 1.65 1.64 1.11 0.98 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 53 G 8.02 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 54 V 7.84 4.14 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 -0.13 0.00 0.00 1.09 0.00 0.00 55 S 8.03 4.66 0.00 3.91 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 56 V 8.26 3.68 2.12 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 1.09 0.00 0.00 0.97 0.00 0.00 57 D 8.28 4.42 0.00 3.03 2.98 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 0.00 0.00 0.00 58 W 8.45 4.10 0.00 3.42 3.44 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 59 L 8.12 3.78 0.00 2.05 1.75 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.94 4.02 0.00 1.64 1.66 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.71 4.39 0.00 2.75 2.61 0.00 0.00 7.30 7.61 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 62 G 7.71 3.19 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 63 T 7.53 3.77 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 1.48 0.00 0.00