NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3665 8.1749 117.3770 63.4272 69.9230 172.8305 7 V 4.3214 8.5053 117.3589 58.8621 34.5419 174.1963 8 A 4.3053 8.8043 127.6036 51.2462 20.2828 177.3629 9 A 4.3971 8.3208 124.4623 52.5710 19.1734 176.1898 10 Y 4.8471 8.2913 117.4793 56.0108 41.4583 174.2482 11 N 4.3954 8.9693 114.0323 54.2042 35.9977 175.2046 12 L 4.3937 7.9935 117.2425 55.4436 42.4942 177.7848 13 T 4.7246 8.9824 120.2796 61.5290 72.9097 172.8749 14 W 4.9992 8.9149 124.9278 55.5299 30.9283 175.8489 15 K 4.6160 9.5196 124.4439 54.7367 34.1839 175.1645 16 S 5.6942 8.5062 119.1385 55.8932 65.7530 173.4599 17 T 4.4172 8.1172 122.4188 63.1976 71.8147 173.5357 18 N 4.0194 9.6707 123.5079 54.3309 36.2411 175.2921 19 F 3.9383 7.9253 114.1693 57.1851 36.9654 174.8539 20 K 4.2826 8.1028 123.6892 56.4160 32.9595 175.6307 21 T 5.1703 9.1503 125.6058 61.9046 71.4225 173.3661 22 I 4.9220 9.1814 127.6411 59.3365 40.6491 174.3368 23 L 4.7113 8.9177 129.0765 53.7486 43.8310 175.0495 24 E 4.9382 8.7747 124.4104 54.7002 34.1039 174.4914 25 W 5.0875 7.3586 117.3178 56.2005 31.6153 172.7241 26 E 4.6176 8.9345 118.7567 54.0596 33.4626 174.0892 27 P 4.7122 0.0000 0.0000 60.7244 33.7101 174.9081 28 K 4.1194 8.3478 118.2660 55.3012 32.2647 175.3682 29 P 4.2185 0.0000 0.0000 63.0048 31.3190 175.8377 30 V 4.1313 8.3108 123.7771 61.6154 32.2730 174.5060 31 N 4.4485 9.0376 125.8601 52.7355 35.9947 173.7039 32 Q 5.0722 7.7067 112.1880 55.4343 31.4650 173.3954 33 V 4.4720 8.7057 114.0021 59.8513 36.0481 173.7553 34 Y 5.9591 9.0333 118.0906 55.9090 42.3675 175.1237 35 T 5.1424 8.5023 115.9211 62.1590 73.4268 173.0628 36 V 4.6478 8.6559 124.9756 61.2081 34.4943 174.3525 37 Q 5.3462 8.8454 124.8180 54.3282 32.7923 174.2489 38 I 5.5140 9.0692 121.6288 60.0376 42.2238 173.7984 39 S 4.9185 9.0329 121.0295 57.9304 66.7316 173.2950 40 T 4.5417 7.7907 109.8426 58.9110 70.6099 175.7401 41 K 3.6744 8.5228 122.1098 59.1308 32.1010 177.9198 42 S 4.5382 7.8856 109.6377 57.5584 63.4446 173.5664 43 G 3.9366 7.5568 110.1311 43.9340 0.0000 173.4808 44 D 4.5751 8.1019 118.7943 53.4917 41.5729 176.5187 45 W 4.6165 8.6312 121.5036 56.5360 30.1667 175.6095 46 K 4.7971 9.3000 125.4139 54.7903 34.4150 175.1947 47 S 5.1996 8.9468 122.9865 58.3762 64.2215 173.4120 48 K 3.8113 9.1120 121.4548 54.6282 37.0811 174.9274 49 C 4.1423 7.8820 116.1575 57.5836 37.6304 174.6839 50 F 4.0073 6.7186 116.2853 59.2884 39.2603 175.7065 51 Y 3.9506 7.8994 124.8488 59.1724 36.1355 171.0387 52 T 4.4098 8.3078 113.1410 62.0605 68.4431 174.6764 53 T 4.5145 8.3482 115.0945 61.8126 69.7758 174.6978 54 D 4.6324 8.0312 122.7503 54.7953 41.7116 175.5937 55 T 3.4431 7.6652 109.0857 60.2239 69.3125 173.1980 56 E 4.3427 7.0365 117.2365 56.5069 32.9709 174.7737 57 C 4.7929 9.0426 120.7300 55.5499 47.6374 172.4319 58 D 5.0003 8.8426 126.5042 54.1274 41.2447 175.9966 59 L 4.6625 8.7974 125.9289 54.4733 42.3331 178.1511 60 T 3.9292 7.8589 117.7485 67.2888 68.2793 175.8085 61 D 4.4337 8.0856 118.0679 57.0236 41.1878 178.4775 62 E 4.1644 8.2582 119.5282 59.2918 29.3052 179.1761 63 I 2.9859 7.4043 112.3543 63.4639 37.3880 177.5683 64 V 3.8149 7.4481 111.7616 62.1824 31.5082 177.8357 65 K 4.4150 7.7933 118.8555 58.3684 31.9470 176.4536 66 D 4.3539 7.7375 117.2350 53.6774 42.2029 175.9590 67 V 3.8701 8.2344 120.4476 63.1777 31.8398 177.6094 68 K 4.3005 7.8147 117.5730 56.8806 32.4405 177.1205 69 Q 4.1261 7.5649 117.6447 55.7779 29.5097 175.0578 70 T 4.5137 7.8557 116.0457 62.2946 70.5566 173.4737 71 Y 4.9819 8.5019 123.0656 56.1062 41.1229 174.7720 72 L 5.1760 9.0644 123.0045 53.4574 45.6288 175.1137 73 A 5.7317 9.0544 125.8470 50.4465 22.7024 175.1563 74 R 4.4106 8.8626 114.6311 54.5315 33.3564 174.0351 75 V 4.1182 7.6794 120.6831 61.0436 33.5088 174.6763 76 F 4.7072 8.7347 127.0091 56.3576 41.1099 174.8418 77 S 5.1434 8.4339 117.8383 57.0115 64.9544 173.0282 78 Y 4.9742 8.8414 122.8828 55.2443 40.9523 173.5043 79 P 4.7301 0.0000 0.0000 62.9394 32.6648 176.0649 80 A 4.2212 8.7663 123.4979 52.5439 19.5167 175.9486 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 6 T 8.17 4.37 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 1.24 0.00 0.00 7 V 8.51 4.32 2.20 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 0.72 0.00 0.00 1.12 0.00 0.00 8 A 8.80 4.31 1.26 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 0.00 0.00 0.00 9 A 8.32 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.29 4.85 0.00 3.09 3.02 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 0.00 0.00 0.00 11 N 8.97 4.40 0.00 2.89 2.97 0.00 0.00 6.93 7.85 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 12 L 7.99 4.39 0.00 1.44 1.44 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.98 4.72 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 1.25 0.00 0.00 14 W 8.91 5.00 0.00 3.16 3.13 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 0.00 0.00 0.00 0.00 15 K 9.52 4.62 0.00 1.71 1.72 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.46 7.81 16 S 8.51 5.69 0.00 3.87 3.64 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 17 T 8.12 4.42 4.22 0.00 0.00 0.00 0.00 0.00 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 18 N 9.67 4.02 0.00 2.82 2.93 0.00 0.00 7.28 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 19 F 7.93 3.94 0.00 3.27 3.26 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 0.00 20 K 8.10 4.28 0.00 1.94 1.84 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.49 7.81 21 T 9.15 5.17 4.34 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 1.50 0.00 0.00 22 I 9.18 4.92 1.86 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 1.13 0.93 0.90 0.00 0.00 23 L 8.92 4.71 0.00 1.11 1.40 -0.15 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.77 4.94 0.00 1.77 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 2.00 2.10 0.00 25 W 7.36 5.09 0.00 3.09 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 26 E 8.93 4.62 0.00 1.16 1.14 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 2.03 2.00 0.00 27 P 0.00 4.71 0.00 2.26 2.23 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 28 K 8.35 4.12 0.00 1.78 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.37 7.81 29 P 0.00 4.22 0.00 2.36 2.07 0.00 3.83 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.36 0.00 30 V 8.31 4.13 2.11 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 0.87 0.00 0.00 1.02 0.00 0.00 31 N 9.04 4.45 0.00 3.03 2.87 0.00 0.00 7.16 7.86 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 32 Q 7.71 5.07 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.78 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 33 V 8.71 4.47 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 0.79 0.00 0.00 1.14 0.00 0.00 34 Y 9.03 5.96 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 5.14 4.62 0.00 0.00 0.00 0.00 0.00 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 36 V 8.66 4.65 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 0.69 0.00 0.00 0.63 0.00 0.00 37 Q 8.85 5.35 0.00 1.87 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 38 I 9.07 5.51 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.18 1.04 0.00 0.00 39 S 9.03 4.92 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 40 T 7.79 4.54 4.14 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 0.71 0.00 0.00 41 K 8.52 3.67 0.00 1.64 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.33 7.81 42 S 7.89 4.54 0.00 3.86 3.82 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 43 G 7.56 3.94 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 0.00 0.00 0.00 44 D 8.10 4.58 0.00 2.71 2.68 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 45 W 8.63 4.62 0.00 3.29 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 46 K 9.30 4.80 0.00 1.90 1.74 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 47 S 8.95 5.20 0.00 4.15 4.12 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 0.00 0.00 0.00 48 K 9.11 3.81 0.00 1.44 1.46 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.57 7.81 49 C 7.88 4.14 0.00 3.03 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 50 F 6.72 4.01 0.00 3.10 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 3.95 0.00 3.24 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 52 T 8.31 4.41 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 53 T 8.35 4.51 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 1.27 0.00 0.00 54 D 8.03 4.63 0.00 2.72 2.50 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 55 T 7.67 3.44 3.52 0.00 0.00 0.00 0.00 0.00 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 56 E 7.04 4.34 0.00 1.68 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 1.95 2.15 0.00 57 C 9.04 4.79 0.00 3.28 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 58 D 8.84 5.00 0.00 2.66 2.58 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 0.00 0.00 0.00 0.00 59 L 8.80 4.66 0.00 1.90 1.74 0.99 0.85 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 60 T 7.86 3.93 4.27 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 1.32 0.00 0.00 61 D 8.09 4.43 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.16 0.00 2.03 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 2.34 2.50 0.00 63 I 7.40 2.99 1.45 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 1.56 0.83 0.23 0.00 0.00 64 V 7.45 3.81 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 0.77 0.00 0.00 0.97 0.00 0.00 65 K 7.79 4.42 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 66 D 7.74 4.35 0.00 2.67 2.58 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 0.00 0.00 0.00 0.00 67 V 8.23 3.87 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 0.33 0.00 0.00 0.81 0.00 0.00 68 K 7.81 4.30 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 69 Q 7.56 4.13 0.00 2.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 70 T 7.86 4.51 4.10 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 1.14 0.00 0.00 71 Y 8.50 4.98 0.00 2.60 2.88 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 0.00 0.00 0.00 72 L 9.06 5.18 0.00 1.69 1.50 1.31 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.05 5.73 1.27 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 0.00 0.00 74 R 8.86 4.41 0.00 1.30 1.71 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 0.00 75 V 7.68 4.12 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 -0.42 0.00 0.00 -0.22 0.00 0.00 76 F 8.73 4.71 0.00 2.91 2.18 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 77 S 8.43 5.14 0.00 3.68 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.84 4.97 0.00 2.95 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 79 P 0.00 4.73 0.00 2.09 2.07 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 80 A 8.77 4.22 1.20 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