NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9801 8.3549 109.7364 45.5097 0.0000 173.0800 2 S 4.5779 8.3580 120.5980 54.8360 66.8612 171.5566 3 S 4.5386 8.7924 116.0860 56.7222 66.8905 172.9982 4 G 3.8412 8.3831 109.5075 45.5008 0.0000 173.2679 5 S 4.3897 8.2736 119.8290 56.2199 64.1091 173.0215 6 S 4.6479 8.1152 121.3603 56.4518 65.2524 173.9836 7 G 3.9872 8.0544 108.0082 45.3842 0.0000 172.4833 8 S 4.4998 8.4949 120.8146 56.5506 63.6703 174.4512 9 L 4.4367 8.1847 127.3633 53.6948 40.4253 175.7044 10 Q 4.6339 7.6790 119.7023 55.0837 31.2436 174.2155 11 K 4.3398 8.1444 114.5555 56.6664 34.5864 173.9552 12 E 4.6724 8.4809 120.1231 55.3544 32.4485 174.0798 13 I 4.3593 8.0140 124.2970 60.1411 39.0352 176.6934 14 S 4.5404 8.2202 120.0685 57.8306 65.2776 175.4292 15 T 3.8887 8.3868 116.7262 65.5794 66.8954 175.3869 16 E 3.9372 8.2193 120.2538 59.4814 29.2654 178.6370 17 E 3.8500 7.9728 118.4198 59.8227 30.3415 178.3247 18 Q 3.9881 8.0347 117.4843 59.5723 28.8029 179.5074 19 L 3.9745 8.2372 119.1044 58.2469 41.6966 179.9548 20 R 4.0877 7.6613 115.9166 58.5595 29.9899 178.8378 21 R 4.2086 8.0575 118.1174 58.4880 30.8554 178.2680 22 L 4.1876 7.6419 118.7530 58.8932 41.2486 178.6708 23 Q 4.1615 8.5144 119.8191 58.1225 28.8242 177.9105 24 E 4.7064 8.0271 115.5003 56.1437 29.9076 176.4488 25 E 4.6207 8.6467 118.2114 55.7489 31.5552 176.4909 26 K 4.2630 8.0762 117.2273 57.7712 34.0546 176.2498 27 L 4.0087 7.0421 117.4370 54.9350 40.1227 175.8248 28 C 3.9714 7.9292 117.9363 60.1024 31.7991 174.2921 29 K 4.4378 8.0794 122.1662 57.1860 34.0521 178.3369 30 I 3.8833 7.9213 119.0848 64.0853 37.2780 176.6765 31 C 4.3402 8.0149 112.8720 58.0562 30.7409 173.2655 32 M 3.4326 7.9445 117.4492 55.7498 29.2115 176.6074 33 D 4.6495 8.3226 116.3733 55.2828 43.6630 175.3803 34 R 4.5504 7.6018 116.4256 54.5017 32.6032 174.2926 35 N 4.8211 8.1950 116.0149 51.6852 39.9099 175.4570 36 I 3.9695 8.4187 114.7930 60.6629 37.6807 175.2441 37 A 4.7418 8.3835 125.8707 51.0830 21.1959 174.5732 38 I 4.8239 7.5636 117.3605 61.4006 41.9951 174.5416 39 V 4.4639 8.2592 117.8862 59.5999 35.1227 174.5423 40 F 5.4444 8.4830 118.4209 56.0917 42.4991 175.2583 41 V 4.7489 8.4091 119.5969 60.4380 34.4832 173.8712 42 P 4.2981 0.0000 0.0000 65.8288 31.4874 176.2467 43 C 3.6714 8.2687 114.8776 58.0569 29.0483 174.0295 44 G 4.1951 8.4798 114.7468 42.3861 0.0000 171.9336 45 H 4.8038 8.5017 123.1658 53.4734 30.4267 173.5135 46 L 4.9205 8.0189 126.7133 55.6546 40.8635 178.6883 47 V 4.1141 7.7998 111.1035 63.1185 31.9257 175.7898 48 T 4.7478 7.3660 109.2362 59.3061 71.8288 173.0215 49 C 4.5145 8.1418 117.7488 56.3698 33.2408 174.6058 50 K 3.7970 8.4344 119.7124 60.6468 31.5286 178.5684 51 Q 4.0162 8.1747 117.4356 58.9958 28.5603 178.1663 52 C 3.9290 8.1994 116.4004 63.3791 28.2621 176.2111 53 A 4.3121 8.5134 121.8852 55.6863 18.1467 179.3027 54 E 4.0992 7.9575 115.0299 59.2457 29.6934 178.8708 55 A 4.2430 8.1863 120.1337 54.1442 18.6143 178.3902 56 V 3.7449 7.7790 111.2441 61.1471 32.0778 176.2757 57 D 4.6401 8.7558 125.8183 56.3377 41.8359 176.5107 58 K 4.7847 7.3760 115.2759 54.4763 36.0205 175.6271 59 C 2.7401 8.1183 122.0036 58.6832 31.9028 172.7676 60 P 4.2949 0.0000 0.0000 64.0224 31.1339 176.4729 61 M 4.6757 7.9351 117.5550 56.4277 34.4819 175.9851 62 C 4.6356 8.0710 113.0508 58.8973 29.1666 173.3767 63 Y 3.5499 8.4099 116.2217 58.7817 36.0115 171.0043 64 T 4.2892 7.5266 117.2789 62.2679 68.5797 174.4671 65 V 3.5503 8.0088 125.4776 63.0933 31.9685 176.0298 66 I 4.4147 8.2099 128.6982 60.5764 36.0209 174.6532 67 T 4.4929 8.0770 118.8636 61.0258 67.4196 174.0674 68 F 4.3957 7.7671 117.4864 57.2036 42.1321 174.3555 69 K 4.4891 7.8563 128.7129 54.6034 31.4593 174.5890 70 Q 4.3571 8.2638 123.6678 55.6765 30.8447 173.8548 71 K 5.0039 8.7189 127.2195 54.7294 33.8493 175.5266 72 I 4.5720 7.6843 120.9170 59.0216 39.8958 175.3077 73 F 4.8373 8.2364 118.2133 56.4977 39.5941 175.7486 74 M 4.1433 8.4585 122.7371 58.8867 32.4187 177.2757 75 S 4.2684 8.0870 115.3039 58.6425 62.4091 173.8186 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 3.98 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 0.00 0.00 0.00 2 S 8.36 4.58 0.00 3.89 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 3 S 8.79 4.54 0.00 3.90 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 4 G 8.38 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.27 4.39 0.00 3.77 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 6 S 8.12 4.65 0.00 3.81 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 7 G 8.05 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 8 S 8.49 4.50 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 9 L 8.18 4.44 0.00 1.67 1.63 0.92 0.86 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 10 Q 7.68 4.63 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 11 K 8.14 4.34 0.00 1.82 1.76 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.33 7.81 12 E 8.48 4.67 0.00 1.90 1.80 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 2.20 2.32 0.00 13 I 8.01 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.93 0.00 0.00 14 S 8.22 4.54 0.00 3.86 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 15 T 8.39 3.89 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 16 E 8.22 3.94 0.00 2.05 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 2.40 2.37 0.00 17 E 7.97 3.85 0.00 1.94 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 2.29 2.46 0.00 18 Q 8.03 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 19 L 8.24 3.97 0.00 1.90 1.90 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.66 4.09 0.00 1.98 2.01 0.00 3.54 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 21 R 8.06 4.21 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.98 0.00 22 L 7.64 4.19 0.00 1.87 1.91 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.51 4.16 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 24 E 8.03 4.71 0.00 2.09 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 2.24 2.27 0.00 25 E 8.65 4.62 0.00 1.94 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 0.00 2.16 2.41 0.00 26 K 8.08 4.26 0.00 1.86 1.95 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 L 7.04 4.01 0.00 2.08 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.93 3.97 0.00 2.99 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 29 K 8.08 4.44 0.00 1.72 1.82 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 30 I 7.92 3.88 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.37 0.92 0.00 0.00 31 C 8.01 4.34 0.00 3.07 3.05 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 32 M 7.94 3.43 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 33 D 8.32 4.65 0.00 2.56 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 34 R 7.60 4.55 0.00 1.88 1.81 0.00 3.26 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 35 N 8.20 4.82 0.00 2.67 2.70 0.00 0.00 6.86 7.44 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 36 I 8.42 3.97 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.98 0.00 0.00 37 A 8.38 4.74 1.11 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 0.00 0.00 38 I 7.56 4.82 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.87 0.00 0.00 39 V 8.26 4.46 2.02 0.00 0.00 0.00 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 0.97 0.00 0.00 40 F 8.48 5.44 0.00 3.21 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.41 4.75 2.28 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 0.81 0.00 0.00 1.09 0.00 0.00 42 P 0.00 4.30 0.00 2.23 2.17 0.00 3.90 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 2.02 1.97 0.00 43 C 8.27 3.67 0.00 3.23 3.15 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 44 G 8.48 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 45 H 8.50 4.80 0.00 3.41 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.02 4.92 0.00 1.70 1.77 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.80 4.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.12 0.00 0.00 48 T 7.37 4.75 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 49 C 8.14 4.51 0.00 3.22 3.08 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 50 K 8.43 3.80 0.00 1.74 1.90 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 51 Q 8.17 4.02 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 52 C 8.20 3.93 0.00 3.00 3.04 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 53 A 8.51 4.31 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.96 4.10 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 55 A 8.19 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.74 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 0.76 0.00 0.00 1.04 0.00 0.00 57 D 8.76 4.64 0.00 2.52 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 58 K 7.38 4.78 0.00 1.62 1.61 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.04 1.05 7.81 59 C 8.12 2.74 0.00 2.80 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 60 P 0.00 4.29 0.00 2.22 2.07 0.00 3.55 0.00 0.00 3.35 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 61 M 7.94 4.68 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 62 C 8.07 4.64 0.00 3.02 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 63 Y 8.41 3.55 0.00 2.87 2.99 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 64 T 7.53 4.29 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 65 V 8.01 3.55 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 0.87 0.00 0.00 0.92 0.00 0.00 66 I 8.21 4.41 1.97 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.66 1.21 0.00 0.00 67 T 8.08 4.49 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 F 7.77 4.40 0.00 3.02 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 69 K 7.86 4.49 0.00 1.60 1.65 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.50 7.81 70 Q 8.26 4.36 0.00 2.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 71 K 8.72 5.00 0.00 1.74 1.64 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.26 7.81 72 I 7.68 4.57 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.92 0.00 0.00 73 F 8.24 4.84 0.00 2.91 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 74 M 8.46 4.14 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 75 S 8.09 4.27 0.00 3.82 3.81 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