NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9283 8.3549 109.7370 45.2366 0.0000 173.4986 3 K 3.9316 8.5489 121.8950 55.5624 32.8972 170.7566 4 V 4.5152 8.5218 120.7146 61.4562 35.6115 173.5603 5 Y 5.0509 8.8461 123.8804 56.0568 41.2449 174.6515 6 K 4.5568 8.3441 122.0545 54.4677 35.7901 174.7494 7 K 4.8898 8.4436 123.8136 54.5029 34.8189 175.5979 8 V 4.4991 8.7242 123.9106 61.0234 34.7847 173.6550 9 E 4.9616 8.7888 128.0442 55.1647 30.5190 174.9388 10 L 4.9184 9.1416 126.4960 52.8271 46.1827 175.6713 11 V 4.6943 8.2898 119.9148 61.2486 33.5329 175.1707 12 G 4.5027 9.1303 116.0168 45.0935 0.0000 172.0419 13 T 5.3996 8.0547 111.1201 60.1039 72.2707 172.9470 14 S 4.6613 8.7020 114.9695 57.8882 66.1267 175.3448 15 E 4.5577 9.1210 124.2867 57.3048 29.9947 177.0712 16 E 4.3721 8.5327 119.1010 56.6987 30.8699 176.0447 17 G 3.3942 7.0791 104.4652 44.1864 0.0000 173.5061 18 L 3.8217 7.3932 118.1608 57.7616 41.4772 179.5266 19 E 3.9092 7.9874 117.8499 59.3201 29.3838 179.0916 20 A 3.9812 7.8947 120.1327 54.9748 18.5921 179.4224 21 A 3.9120 7.8599 118.9692 55.3459 18.4982 179.9395 22 I 3.5418 7.6867 118.3502 64.6090 37.1312 178.7687 23 Q 3.8738 8.3758 119.1144 58.5406 28.4779 178.3769 24 A 3.9074 8.1998 121.9374 55.2584 18.3395 179.4840 25 A 3.8911 7.8651 118.4736 55.4042 18.5066 179.7322 26 L 3.8225 7.9208 117.1994 57.6688 41.4150 179.4998 27 A 3.9440 8.1406 120.3086 55.1771 18.6028 179.4002 28 R 3.9012 8.0115 116.9162 59.4478 30.1854 178.3279 29 A 3.9279 8.1976 121.1860 55.1959 18.1549 179.1926 30 R 4.2073 7.7142 111.3933 57.6489 29.8273 178.2319 31 K 4.1970 7.8681 119.3835 58.2694 32.3418 177.2871 32 T 4.5314 7.7070 105.4203 60.2762 70.2866 173.5053 33 L 4.4060 7.6828 122.2915 52.8055 43.9735 176.1385 34 R 4.3989 8.1140 121.5661 55.9575 32.1079 175.0816 35 H 4.2040 8.5226 113.4944 56.8469 25.8826 175.1889 36 L 4.4103 8.2004 118.8291 55.4660 42.1349 176.4049 37 D 5.2230 9.4366 123.0878 55.4401 43.5070 176.1237 38 W 5.3415 7.7283 113.0258 55.5664 31.4749 173.1813 39 F 5.3563 8.3899 114.4664 55.4209 41.1761 173.8673 40 E 4.6583 9.2336 118.5323 54.8371 33.5878 174.9246 41 V 4.2841 8.7066 125.2795 62.9344 31.8036 175.4452 42 K 4.5423 9.3509 127.2160 57.8190 33.9097 176.6551 43 E 4.8387 7.9488 116.8946 54.9546 34.3141 174.3048 44 I 4.9804 8.3565 122.8623 59.9386 40.1039 175.0330 45 R 4.6153 8.7429 124.9175 56.0697 35.1995 173.3032 46 G 4.1501 7.8295 105.5478 47.1002 0.0000 172.3984 47 T 4.8171 8.0070 109.5521 59.8548 72.0546 173.2868 48 I 4.7922 8.2553 122.2344 59.7779 39.8625 175.5656 49 G 4.3596 9.1249 116.5377 44.0964 0.0000 172.9062 50 E 3.8773 8.9423 117.3176 58.6565 29.5845 177.6277 51 A 4.6308 8.0063 119.1249 51.7345 20.5820 175.9909 52 G 4.0125 7.4167 104.7085 44.1748 0.0000 176.6299 53 V 3.7593 8.2236 125.0076 62.9961 31.1286 174.7904 54 K 4.2998 8.4475 130.8140 57.8079 31.9682 175.9147 55 E 4.8653 8.3321 116.7493 54.6401 33.6306 173.5537 56 Y 4.7647 9.2458 119.5926 57.4399 40.1734 174.6273 57 Q 4.9934 9.4767 121.7200 54.2572 32.7656 174.2931 58 V 4.6867 8.8953 125.1799 61.0692 34.0220 174.4439 59 V 4.7090 8.8557 129.5328 61.9551 32.8103 174.6993 60 L 5.2691 9.0813 127.5567 54.3121 44.4910 174.8058 61 E 4.9280 9.3071 120.7775 55.3947 31.5676 175.2270 62 V 4.5213 8.9585 124.4060 60.9649 34.3673 174.2621 63 G 2.8169 8.1833 115.5368 43.7971 0.0000 172.2618 64 F 5.6295 8.2165 118.4885 54.9942 41.8525 173.6971 65 R 4.1324 8.6574 121.8066 56.3261 30.5127 175.9863 66 L 4.4956 8.3283 126.6508 54.2508 42.6352 176.6395 67 E 4.2292 8.8211 124.7401 56.3790 30.4748 178.3195 68 E 4.2433 8.5548 121.6095 56.4653 28.0051 177.0246 69 T 4.2795 7.9484 116.2908 60.4438 68.7001 174.9171 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.55 3.93 0.00 1.75 1.39 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 4 V 8.52 4.52 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.85 5.05 0.00 3.04 3.07 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 6 K 8.34 4.56 0.00 1.53 0.74 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.28 7.81 7 K 8.44 4.89 0.00 1.63 1.62 0.00 2.08 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.11 1.38 7.81 8 V 8.72 4.50 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 0.96 0.00 0.00 1.13 0.00 0.00 9 E 8.79 4.96 0.00 2.03 1.85 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 2.25 2.35 0.00 10 L 9.14 4.92 0.00 1.53 1.48 0.88 0.51 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 11 V 8.29 4.69 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.13 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.05 5.40 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 1.26 0.00 0.00 14 S 8.70 4.66 0.00 3.91 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 15 E 9.12 4.56 0.00 2.03 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 2.40 2.34 0.00 16 E 8.53 4.37 0.00 1.94 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 2.29 2.26 0.00 17 G 7.08 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.39 3.82 0.00 1.57 1.64 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.99 3.91 0.00 2.00 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 2.38 2.42 0.00 20 A 7.89 3.98 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 21 A 7.86 3.91 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 22 I 7.69 3.54 1.85 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 1.43 0.95 0.29 0.00 0.00 23 Q 8.38 3.87 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 24 A 8.20 3.91 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 25 A 7.87 3.89 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 26 L 7.92 3.82 0.00 1.71 1.64 0.56 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.14 3.94 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 28 R 8.01 3.90 0.00 1.92 2.03 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.20 3.93 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 30 R 7.71 4.21 0.00 1.95 2.01 0.00 3.04 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 31 K 7.87 4.20 0.00 1.88 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.40 7.81 32 T 7.71 4.53 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 1.16 0.00 0.00 33 L 7.68 4.41 0.00 1.36 0.72 0.55 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.11 4.40 0.00 1.67 1.53 0.00 3.29 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 35 H 8.52 4.20 0.00 3.65 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.20 4.41 0.00 1.69 1.68 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.44 5.22 0.00 3.10 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 38 W 7.73 5.34 0.00 3.27 3.20 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 39 F 8.39 5.36 0.00 3.06 2.95 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 40 E 9.23 4.66 0.00 1.99 1.92 0.00 0.00 0.00 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 2.61 0.00 41 V 8.71 4.28 2.17 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 0.89 0.00 0.00 1.14 0.00 0.00 42 K 9.35 4.54 0.00 1.65 1.86 0.00 2.19 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.58 7.81 43 E 7.95 4.84 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 2.32 2.37 0.00 44 I 8.36 4.98 1.92 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 1.39 0.66 1.00 0.00 0.00 45 R 8.74 4.62 0.00 1.72 1.81 0.00 3.29 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 46 G 7.83 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 0.00 0.00 0.00 47 T 8.01 4.82 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 1.18 0.00 0.00 48 I 8.26 4.79 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.93 0.00 0.00 49 G 9.12 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.94 3.88 0.00 1.96 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 2.30 2.30 0.00 51 A 8.01 4.63 1.24 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 0.00 0.00 0.00 52 G 7.42 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.22 3.76 1.76 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 -0.24 0.00 0.00 0.69 0.00 0.00 54 K 8.45 4.30 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.34 7.81 55 E 8.33 4.87 0.00 2.05 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 2.15 2.27 0.00 56 Y 9.25 4.76 0.00 2.99 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 57 Q 9.48 4.99 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.90 4.69 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 1.01 0.00 0.00 0.95 0.00 0.00 59 V 8.86 4.71 2.19 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 0.95 0.00 0.00 0.95 0.00 0.00 60 L 9.08 5.27 0.00 1.96 1.75 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.31 4.93 0.00 1.95 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 2.30 2.28 0.00 62 V 8.96 4.52 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 0.95 0.00 0.00 0.91 0.00 0.00 63 G 8.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 5.63 0.00 3.46 3.09 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 0.00 0.00 0.00 65 R 8.66 4.13 0.00 1.80 1.82 0.00 3.06 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.00 66 L 8.33 4.50 0.00 1.58 1.56 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.82 4.23 0.00 1.99 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 2.32 2.40 0.00 68 E 8.55 4.24 0.00 1.99 1.78 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 2.23 1.87 0.00 69 T 7.95 4.28 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