NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2549 8.4449 120.3648 56.1363 30.9707 172.1277 3 Y 4.7406 8.1355 120.0559 55.8285 39.5421 172.5069 4 E 4.2402 9.3766 122.2333 56.4610 31.1340 176.1387 5 E 4.6343 8.5896 120.8094 54.9215 33.5386 174.9643 6 G 3.8497 8.8013 105.8986 43.6295 0.0000 171.3407 7 P 4.2182 0.0000 0.0000 64.2131 31.4352 177.4761 8 G 3.8440 8.8516 109.8091 45.7622 0.0000 173.7883 9 K 4.4336 8.0867 117.3135 55.8969 33.6649 176.1488 10 N 4.9450 7.8627 116.2678 52.2431 37.9418 174.5616 11 I 4.5290 7.0966 110.2412 59.3582 40.6000 173.2395 12 P 4.3595 0.0000 0.0000 63.8063 31.7052 175.8684 13 F 4.9549 7.1103 113.3181 54.8818 40.5731 174.3018 14 S 4.5608 8.4893 115.9489 57.4620 63.2610 174.2048 15 V 4.5006 7.9436 119.3180 61.1274 32.3865 176.7098 16 E 3.9695 8.1428 123.2923 58.2833 29.7148 177.0240 17 N 4.9187 7.8622 117.3245 51.0104 41.6992 174.8688 18 K 3.7334 8.4183 128.0434 59.2830 32.5628 178.8519 19 W 4.4663 7.7856 119.9378 59.2383 29.3661 178.3404 20 R 3.9931 8.8874 119.2661 59.2073 29.4320 178.2878 21 L 3.9646 8.2480 120.5907 58.1330 42.1137 178.7428 22 L 3.9405 7.8222 119.6219 57.9483 41.9986 178.8774 23 A 4.0462 8.0486 120.8546 55.3542 18.3467 179.2592 24 M 3.9928 8.1716 117.2094 59.1476 32.0563 178.9706 25 M 4.2768 8.3297 118.7103 58.7499 32.0722 179.1180 26 T 3.9809 8.1144 115.8986 66.6313 68.5809 176.8211 27 L 4.0230 8.0998 120.8892 58.2026 41.4627 178.6533 28 F 4.0772 8.7570 120.9568 61.8258 39.1629 177.1294 29 F 4.2013 9.0757 117.5380 60.2359 38.8135 178.2743 30 G 3.7057 8.5304 106.1016 47.7491 0.0000 175.9461 31 S 4.2335 8.4449 117.3163 61.0466 62.6774 176.8966 32 G 3.5159 7.4828 108.2702 47.6054 0.0000 175.2270 33 F 4.4010 8.1734 122.0764 60.8061 39.8001 176.7551 34 A 4.4500 8.7668 120.6550 54.6236 18.2558 179.0850 35 A 4.0304 8.1370 119.7244 55.3716 18.3078 178.0818 36 P 4.1038 0.0000 0.0000 65.6894 31.2938 178.8421 37 F 3.8780 7.9216 116.0291 60.6084 38.8661 177.5689 38 F 4.0144 8.4594 116.8934 60.0796 38.6006 177.9716 39 I 3.8480 7.8976 120.0045 64.0780 36.9110 178.4303 40 V 3.5199 8.0151 119.4929 65.9487 31.3463 178.0521 41 R 3.8411 8.1538 118.5929 59.5552 29.4032 177.8877 42 H 4.1351 8.3656 118.0863 59.5971 28.4562 177.3485 43 Q 4.1946 8.3958 119.9116 58.8303 28.2515 178.6703 44 L 4.2722 7.7738 119.3452 56.9535 41.7688 178.2981 45 L 4.4144 7.5773 116.5995 54.7900 41.7512 177.3262 46 K 4.2051 7.1144 120.0257 56.9572 33.1133 176.6176 47 K 3.9456 7.1719 121.1901 57.2840 33.6362 173.7585 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 H 8.44 4.25 0.00 3.04 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.14 4.74 0.00 3.14 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 4 E 9.38 4.24 0.00 1.96 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 2.34 2.27 0.00 5 E 8.59 4.63 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 6 G 8.80 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 0.00 0.00 0.00 7 P 0.00 4.22 0.00 2.02 2.00 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.85 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 9 K 8.09 4.43 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 10 N 7.86 4.95 0.00 2.77 2.84 0.00 0.00 5.84 7.81 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 11 I 7.10 4.53 0.88 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 1.09 0.27 0.69 0.00 0.00 12 P 0.00 4.36 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 13 F 7.11 4.95 0.00 3.06 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 14 S 8.49 4.56 0.00 3.83 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 15 V 7.94 4.50 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 0.85 0.00 0.00 0.86 0.00 0.00 16 E 8.14 3.97 0.00 1.91 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 2.32 2.29 0.00 17 N 7.86 4.92 0.00 2.78 2.66 0.00 0.00 6.94 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 18 K 8.42 3.73 0.00 1.52 1.73 0.00 0.89 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.75 0.21 7.81 19 W 7.79 4.47 0.00 3.61 3.29 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 20 R 8.89 3.99 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.25 3.96 0.00 1.85 1.71 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.82 3.94 0.00 1.98 1.99 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.05 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.17 3.99 0.00 1.95 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.94 0.00 25 M 8.33 4.28 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 26 T 8.11 3.98 4.61 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 1.27 0.00 0.00 27 L 8.10 4.02 0.00 1.92 1.75 0.95 0.76 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 28 F 8.76 4.08 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.08 4.20 0.00 3.33 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 30 G 8.53 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 0.00 0.00 0.00 31 S 8.44 4.23 0.00 4.00 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 0.00 32 G 7.48 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 0.00 0.00 0.00 0.00 33 F 8.17 4.40 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.77 4.45 1.57 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 0.00 0.00 35 A 8.14 4.03 1.40 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 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.62 1.82 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 37 F 7.92 3.88 0.00 3.22 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 38 F 8.46 4.01 0.00 3.23 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 39 I 7.90 3.85 1.97 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 1.41 0.87 0.91 0.00 0.00 40 V 8.02 3.52 2.15 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 0.94 0.00 0.00 0.80 0.00 0.00 41 R 8.15 3.84 0.00 1.78 2.02 0.00 3.02 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 H 8.37 4.14 0.00 3.41 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.40 4.19 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 44 L 7.77 4.27 0.00 1.74 1.70 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.58 4.41 0.00 1.62 1.68 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.11 4.21 0.00 1.83 1.80 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 47 K 7.17 3.95 0.00 1.66 1.63 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.15 7.81