NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6592 8.2233 120.5365 55.0674 41.9878 176.8695 8 D 4.6726 8.4178 126.9274 56.1804 41.0474 177.8152 9 K 4.0336 8.3301 119.5525 59.5517 33.0480 178.7513 10 K 4.0731 8.3990 121.2860 59.7101 32.2169 178.7112 11 T 3.8153 7.9546 109.5279 65.1597 68.3477 175.7314 12 N 4.2106 8.0158 118.5573 55.6842 38.3980 177.4402 13 W 3.8800 7.9639 119.9483 59.7292 29.1489 178.5682 14 L 3.7317 8.0467 118.9106 57.6186 40.9614 179.7707 15 K 3.8513 8.0247 118.4992 59.2444 31.9462 179.6914 16 R 3.7849 7.7540 118.3666 59.2701 29.7914 179.0484 17 I 3.6337 7.6575 118.3710 64.5076 37.2158 177.5134 18 Y 4.0446 7.9321 120.2580 60.7444 38.3865 178.1887 19 R 3.8187 7.7727 118.2998 59.1647 30.2853 177.9813 20 V 4.1543 7.4288 109.0586 60.9029 32.6654 176.8856 21 R 4.4366 7.0708 119.0993 53.1182 29.9297 173.8097 22 P 4.4152 0.0000 0.0000 61.5423 32.5328 175.9264 23 C 4.0277 8.9145 120.0159 60.3628 31.6758 175.6568 24 V 3.7128 8.3257 119.7629 63.6061 31.4316 177.5146 25 K 3.7753 7.7983 120.4801 58.4576 32.1093 177.2290 26 C 4.1902 7.8481 112.0740 58.0600 30.3453 174.5692 27 K 3.9989 7.9723 117.9816 57.0989 30.2020 175.1214 28 V 4.1069 7.4829 115.4873 64.3372 33.4219 176.2090 29 A 4.2399 7.6304 121.9117 51.0969 18.9702 175.1374 30 P 4.5273 0.0000 0.0000 62.0617 32.1670 177.0292 31 R 4.2551 7.8229 119.1798 56.0418 30.9521 176.3490 32 N 5.0309 8.8538 119.8220 54.0187 40.3540 173.4673 33 W 5.7405 8.2523 118.6512 56.0458 31.1706 173.1196 34 K 4.3365 9.1569 118.3890 55.8840 35.8769 174.6236 35 V 4.8093 8.3827 121.7101 61.3438 33.0084 175.2257 36 K 4.5322 8.9442 127.5487 55.4063 35.4702 177.7942 37 N 4.1576 9.0555 124.4179 54.1500 37.3887 175.0876 38 K 4.7020 9.2536 115.6620 56.2504 32.9546 174.7000 39 H 5.4912 8.4078 116.7034 53.8887 32.7052 172.3633 40 L 4.9666 9.1798 123.7606 53.7557 43.9934 175.0072 41 R 4.9937 9.1107 127.8970 55.1517 31.7295 174.7573 42 I 4.8952 8.8775 128.6225 60.0585 38.9329 175.5013 43 Y 5.0250 8.7513 125.4058 57.4199 38.7279 175.9727 44 N 4.6392 9.2759 118.1719 55.6057 39.2277 175.4141 45 M 5.1151 7.8051 116.3769 52.6501 35.8680 174.5625 46 C 4.7993 8.3007 115.8734 57.7241 32.0366 174.6043 47 K 4.0221 8.5221 121.0731 59.8033 31.7721 178.7077 48 T 3.8735 7.9038 115.5237 67.0255 68.4682 176.2382 49 C 4.1944 8.0719 118.0212 62.6151 28.0803 175.7753 50 F 4.1988 8.3119 122.2655 61.4949 38.8942 176.8825 51 N 4.0670 8.4387 116.2677 56.3052 38.3345 176.8496 52 N 4.2712 8.2615 118.6173 56.6793 39.0286 177.0058 53 S 4.1637 8.3849 116.0887 61.4511 62.6375 176.7181 54 I 3.6452 7.2552 123.5594 64.2679 36.6112 178.0855 55 D 4.4236 7.6260 119.1174 56.8024 40.7315 178.0692 56 I 4.1470 7.8171 111.4917 60.5123 38.3834 175.7485 57 G 3.6921 7.7799 107.2518 46.9255 0.0000 172.9781 58 D 4.7847 8.1410 118.8700 52.1963 43.3496 174.7415 59 D 4.3180 8.4167 124.5541 53.1951 40.0351 178.0304 60 T 3.5589 8.1937 118.5393 67.0596 68.3101 174.6655 61 Y 4.6329 7.5376 114.9721 57.8854 38.2056 175.3700 62 H 4.5554 8.0414 118.3791 55.0325 29.4469 175.5078 63 G 4.3113 8.0624 111.0298 45.1920 0.0000 170.1858 64 H 5.1712 7.4612 114.4756 55.0932 30.9727 172.8477 65 D 4.8796 9.1193 117.8043 51.8252 42.7388 174.0302 66 D 5.5673 8.5099 120.3811 52.6287 43.4288 175.7624 67 W 5.0018 9.2748 121.8065 54.5097 33.1937 174.4662 68 L 4.2465 8.8212 127.0861 55.5734 41.9177 176.3348 69 M 4.4178 9.0192 125.2452 55.8850 32.3714 175.6190 70 Y 4.6393 7.9366 115.6740 55.8897 41.2282 175.5116 71 A 4.2165 8.7633 124.2156 53.8496 19.1447 177.4548 72 D 4.9083 7.9604 115.3205 52.2298 42.8827 176.0051 73 S 4.3277 8.6733 120.0119 58.6515 63.2047 173.8763 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 7 D 8.22 4.66 0.00 2.77 2.73 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 8 D 8.42 4.67 0.00 2.76 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 9 K 8.33 4.03 0.00 2.07 2.11 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.51 7.81 10 K 8.40 4.07 0.00 1.95 2.01 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 11 T 7.95 3.82 4.13 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 1.08 0.00 0.00 12 N 8.02 4.21 0.00 2.79 2.62 0.00 0.00 7.00 7.55 0.00 0.00 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 W 7.96 3.88 0.00 3.62 3.24 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 14 L 8.05 3.73 0.00 1.72 1.49 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.02 3.85 0.00 1.81 1.72 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.53 7.81 16 R 7.75 3.78 0.00 1.92 1.88 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 17 I 7.66 3.63 1.61 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.42 0.00 0.00 18 Y 7.93 4.04 0.00 2.89 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 19 R 7.77 3.82 0.00 2.06 2.03 0.00 3.26 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 20 V 7.43 4.15 2.06 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 0.81 0.00 0.00 1.02 0.00 0.00 21 R 7.07 4.44 0.00 1.58 1.81 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 22 P 0.00 4.42 0.00 2.00 1.94 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 23 C 8.91 4.03 0.00 2.96 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 24 V 8.33 3.71 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 0.83 0.00 0.00 1.02 0.00 0.00 25 K 7.80 3.78 0.00 1.48 1.73 0.00 1.16 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 26 C 7.85 4.19 0.00 3.12 3.14 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 0.00 27 K 7.97 4.00 0.00 1.92 1.91 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.31 7.81 28 V 7.48 4.11 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 0.78 0.00 0.00 0.97 0.00 0.00 29 A 7.63 4.24 1.29 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 0.00 0.00 0.00 30 P 0.00 4.53 0.00 2.23 1.90 0.00 3.74 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 2.14 2.14 0.00 31 R 7.82 4.26 0.00 1.91 2.22 0.00 3.21 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 32 N 8.85 5.03 0.00 2.93 2.76 0.00 0.00 6.90 7.41 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 33 W 8.25 5.74 0.00 3.57 3.14 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 0.00 34 K 9.16 4.34 0.00 1.75 1.89 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 35 V 8.38 4.81 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 0.93 0.00 0.00 1.18 0.00 0.00 36 K 8.94 4.53 0.00 1.94 1.92 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.36 7.81 37 N 9.06 4.16 0.00 3.06 2.39 0.00 0.00 6.23 7.13 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 38 K 9.25 4.70 0.00 1.90 1.97 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 39 H 8.41 5.49 0.00 3.28 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 4.97 0.00 1.75 1.65 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.11 4.99 0.00 1.85 1.74 0.00 2.77 0.00 0.00 2.47 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 42 I 8.88 4.90 2.32 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.13 0.00 0.00 43 Y 8.75 5.02 0.00 3.00 2.80 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 0.00 0.00 0.00 44 N 9.28 4.64 0.00 3.11 3.02 0.00 0.00 7.18 7.65 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 45 M 7.81 5.12 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 46 C 8.30 4.80 0.00 3.23 3.30 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 47 K 8.52 4.02 0.00 1.90 1.88 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.63 7.81 48 T 7.90 3.87 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 1.22 0.00 0.00 49 C 8.07 4.19 0.00 3.02 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 50 F 8.31 4.20 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.07 0.00 2.75 2.80 0.00 0.00 6.73 7.70 0.00 0.00 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 N 8.26 4.27 0.00 2.83 3.01 0.00 0.00 6.98 6.92 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 53 S 8.38 4.16 0.00 4.40 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 0.00 54 I 7.26 3.65 1.81 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 1.04 0.93 0.82 0.00 0.00 55 D 7.63 4.42 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 4.15 1.87 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 1.73 0.57 0.93 0.00 0.00 57 G 7.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.78 0.00 2.63 2.57 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 59 D 8.42 4.32 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 3.56 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 0.43 0.00 0.00 61 Y 7.54 4.63 0.00 3.14 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 62 H 8.04 4.56 0.00 3.34 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.06 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 0.00 0.00 0.00 0.00 64 H 7.46 5.17 0.00 3.07 3.27 0.00 5.48 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 9.12 4.88 0.00 2.52 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.51 5.57 0.00 2.48 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 67 W 9.27 5.00 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.82 4.25 0.00 1.66 1.66 0.94 1.02 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 69 M 9.02 4.42 0.00 1.67 2.14 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 70 Y 7.94 4.64 0.00 2.91 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 71 A 8.76 4.22 1.36 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 72 D 7.96 4.91 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 73 S 8.67 4.33 0.00 4.02 3.85 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