NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.1627 120.6021 55.6457 34.5265 173.0002 2 E 4.7441 8.1934 119.7667 53.8885 32.5414 173.1546 3 A 5.1602 9.0683 125.7708 50.6247 24.0985 174.9235 4 I 4.8512 8.3140 119.7019 59.6356 41.9718 174.5880 5 A 4.2883 8.8763 130.4284 52.1983 18.5954 177.9459 6 K 4.2149 9.3006 122.5482 57.7397 33.4250 176.4181 7 Y 4.9366 8.0768 115.1453 55.7861 42.2425 174.8678 8 D 4.8976 8.9757 120.6641 53.8116 40.6712 175.4249 9 F 4.5267 8.5875 121.8707 56.4069 43.2416 173.4949 10 K 4.2223 6.7407 123.9522 53.8652 33.5665 175.6516 11 A 4.2849 7.8029 126.4200 52.6419 18.6470 177.2157 12 T 4.3348 8.9367 107.5776 61.4176 70.7012 173.6100 13 A 4.6014 7.5708 123.7508 50.6008 22.2986 176.0665 14 D 4.3844 8.7566 118.9500 57.2220 41.2375 176.8478 15 D 4.7424 8.1025 116.1852 53.5552 40.2631 175.1762 16 E 5.5993 7.9095 119.6250 54.8081 32.2331 175.1972 17 L 5.0093 8.4563 120.7578 54.2668 43.7377 176.4415 18 S 4.8122 8.7999 116.7732 58.7320 64.6018 172.5473 19 F 5.0861 8.2070 115.4307 56.6327 41.5699 172.7294 20 K 4.9410 9.1327 116.7060 54.1208 36.3623 175.3098 21 R 4.1407 9.0939 124.0447 60.7646 29.6188 174.3760 22 G 3.4880 8.7189 118.8349 45.4782 0.0000 172.6750 23 D 4.5053 8.2454 121.3036 55.2182 42.2386 176.1716 24 I 4.6602 8.2839 122.4151 60.1628 37.9583 175.0486 25 L 4.8959 8.4149 126.9131 52.8272 45.2219 176.0341 26 K 4.3103 8.3843 121.1960 54.8661 33.8292 176.2330 27 V 4.1073 8.0855 127.0364 61.9930 31.3397 176.0155 28 L 4.4004 8.2683 133.7040 52.1074 39.6253 175.9648 29 N 4.7214 9.6693 117.8074 53.8643 39.6499 172.9501 30 E 5.4250 8.0145 114.9483 55.1074 30.5821 175.2269 31 E 4.9034 7.3712 120.1335 55.0979 30.9538 174.1893 32 C 5.0422 8.0246 132.9815 60.7735 34.4224 173.4397 33 D 4.3313 7.2924 119.7882 53.2018 42.6258 174.4092 34 Q 4.3398 8.4530 126.9015 58.8863 28.0893 173.6679 35 N 3.9891 7.5536 129.1922 52.6638 36.9235 174.5411 36 W 5.2532 7.6938 118.1001 54.9791 33.4628 174.3362 37 Y 5.2036 9.1831 118.9798 56.3494 42.2922 174.2432 38 K 4.8710 8.6816 122.7258 55.1299 34.0190 175.1934 39 A 5.1635 8.8073 128.1689 50.7161 23.8815 173.5029 40 E 5.1186 8.8042 119.7749 54.7437 32.3833 175.0924 41 L 4.5555 9.3273 124.3251 55.1181 46.2035 174.6430 42 N 4.2827 9.9234 119.4856 54.6804 37.2998 174.6649 43 G 3.9406 8.8244 101.5496 44.8436 0.0000 173.2864 44 K 4.9472 8.1110 118.4259 54.4409 37.0808 174.7962 45 D 5.5565 7.6754 119.5267 51.4809 42.4582 174.7569 46 G 3.8922 8.0407 107.1287 45.7716 0.0000 171.9895 47 F 5.4818 8.6103 119.2624 57.4696 40.2574 175.3971 48 I 5.2582 9.2415 114.9714 58.7798 41.6014 172.6488 49 P 3.4967 0.0000 0.0000 61.4293 32.3077 177.5254 50 K 3.8571 7.9299 121.3260 59.6474 32.6754 178.6828 51 N 4.4575 7.7647 115.1349 54.6332 37.5603 175.0027 52 Y 4.1907 7.8218 116.3190 58.6810 38.5665 174.1979 53 I 5.1484 7.5791 118.8879 59.0263 42.2137 173.7064 54 E 4.7489 8.8689 123.9918 54.6426 32.6334 174.9823 55 M 4.6838 8.7196 125.9253 55.0485 33.3704 177.0919 56 K 4.7306 8.5208 118.8912 54.2509 34.2790 175.1180 57 P 4.3306 0.0000 0.0000 62.8923 31.0669 177.2792 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 M 8.16 4.42 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 2 E 8.19 4.74 0.00 2.04 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 2.16 2.29 0.00 3 A 9.07 5.16 1.10 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 0.00 0.00 4 I 8.31 4.85 1.96 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 1.12 0.85 0.88 0.00 0.00 5 A 8.88 4.29 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 6 K 9.30 4.21 0.00 1.97 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.56 7.81 7 Y 8.08 4.94 0.00 2.64 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 8 D 8.98 4.90 0.00 2.73 2.78 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 9 F 8.59 4.53 0.00 2.23 1.45 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 0.00 0.00 0.00 0.00 10 K 6.74 4.22 0.00 1.19 1.38 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.20 7.81 11 A 7.80 4.28 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 12 T 8.94 4.33 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 1.19 0.00 0.00 13 A 7.57 4.60 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 14 D 8.76 4.38 0.00 2.63 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 15 D 8.10 4.74 0.00 3.24 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 16 E 7.91 5.60 0.00 2.16 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 0.00 2.70 2.28 0.00 17 L 8.46 5.01 0.00 1.62 1.67 1.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.80 4.81 0.00 3.84 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 19 F 8.21 5.09 0.00 3.25 3.17 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 20 K 9.13 4.94 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.42 7.81 21 R 9.09 4.14 0.00 1.93 1.97 0.00 3.37 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 22 G 8.72 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.25 4.51 0.00 2.67 2.66 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 24 I 8.28 4.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.89 0.00 0.00 25 L 8.41 4.90 0.00 1.55 1.45 0.69 0.32 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 26 K 8.38 4.31 0.00 1.89 1.71 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.34 7.81 27 V 8.09 4.11 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 0.66 0.00 0.00 0.75 0.00 0.00 28 L 8.27 4.40 0.00 1.68 1.54 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.67 4.72 0.00 2.85 3.11 0.00 0.00 6.67 7.69 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 30 E 8.01 5.42 0.00 2.36 1.98 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 2.15 2.29 0.00 31 E 7.37 4.90 0.00 2.09 2.01 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 2.21 2.30 0.00 32 C 8.02 5.04 0.00 2.99 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 33 D 7.29 4.33 0.00 2.93 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 34 Q 8.45 4.34 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.30 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 35 N 7.55 3.99 0.00 2.98 2.89 0.00 0.00 6.87 7.69 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 36 W 7.69 5.25 0.00 3.03 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 37 Y 9.18 5.20 0.00 2.89 2.76 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 38 K 8.68 4.87 0.00 1.75 1.81 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.31 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 0.83 7.81 39 A 8.81 5.16 1.21 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 0.00 0.00 40 E 8.80 5.12 0.00 1.99 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 0.00 2.21 2.35 0.00 41 L 9.33 4.56 0.00 1.75 1.55 1.10 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.92 4.28 0.00 2.89 2.90 0.00 0.00 7.24 8.02 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 43 G 8.82 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 K 8.11 4.95 0.00 1.88 1.69 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 45 D 7.68 5.56 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 46 G 8.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.61 5.48 0.00 3.06 3.18 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 48 I 9.24 5.26 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 1.32 0.00 0.00 49 P 0.00 3.50 0.00 1.52 0.49 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.44 0.00 50 K 7.93 3.86 0.00 1.80 1.45 0.00 1.04 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.88 1.02 7.81 51 N 7.76 4.46 0.00 2.73 2.90 0.00 0.00 6.08 7.62 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 52 Y 7.82 4.19 0.00 3.13 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 5.15 1.80 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 1.20 1.04 0.91 0.00 0.00 54 E 8.87 4.75 0.00 2.06 1.71 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 2.18 2.27 0.00 55 M 8.72 4.68 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.21 0.00 56 K 8.52 4.73 0.00 1.71 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.50 7.81 57 P 0.00 4.33 0.00 2.14 2.00 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00