NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4318 8.3349 115.4127 57.5465 64.9269 173.1926 4 I 3.8581 7.5251 122.5772 60.1434 37.7959 172.2540 5 E 4.0290 9.5419 126.1621 56.4411 29.9547 176.5655 6 I 4.3084 7.9665 126.1508 58.3390 37.8549 173.7744 7 P 4.3926 0.0000 0.0000 62.3501 32.2795 177.7792 8 L 3.9617 8.7708 122.3295 58.4521 41.5969 179.0976 9 H 4.0292 8.4200 117.4573 59.8346 29.2969 176.6750 10 E 4.0900 8.1427 119.3444 58.8557 28.9970 179.4548 11 I 3.8264 7.4861 119.0593 64.2771 37.7726 177.4630 12 I 3.7632 8.0212 121.0609 64.8520 37.1010 177.6526 13 R 4.6330 7.7967 120.0537 59.2081 29.9664 177.9960 14 K 3.8071 7.7666 117.5243 59.6159 32.0071 178.6688 15 L 4.0256 8.0003 118.8244 57.5527 41.7620 178.7319 16 E 3.8782 8.0910 118.1822 59.7561 29.3298 179.4137 17 R 3.8970 7.8188 117.1960 59.9997 30.3488 178.9090 18 M 3.9746 7.8906 117.5555 58.6669 31.7887 178.1201 19 N 4.3700 8.5486 117.8944 56.4375 39.1818 176.7982 20 Q 4.1162 8.3915 120.8081 58.3787 28.7280 179.3858 21 K 3.9342 8.3722 119.7182 59.4605 32.1053 179.1457 22 K 3.9058 8.0072 119.1834 59.5703 31.9537 178.9043 23 Q 3.9579 8.9630 119.2400 59.0355 28.8715 178.7547 24 A 4.0869 8.2849 121.5613 54.9595 18.2751 179.6600 25 Q 4.0106 7.8966 117.0543 58.8214 28.3464 178.9300 26 R 3.8843 7.6821 118.6879 59.0966 30.2793 178.5589 27 K 3.9548 7.7502 119.0706 59.9180 32.1119 178.6550 28 R 3.9064 7.8720 117.3655 59.5333 30.1773 178.4961 29 H 4.2086 8.5307 118.4991 59.0393 29.7909 176.9659 30 K 3.7875 9.1775 122.1991 59.4866 31.9995 178.3588 31 L 3.9072 7.6942 119.8326 58.3488 41.7753 178.4146 32 N 4.2987 8.2379 116.3451 56.7697 38.4040 177.5986 33 R 3.9459 7.8750 118.7193 58.7690 30.1299 178.9811 34 K 3.8987 7.8642 119.1882 59.6795 32.0575 178.8459 35 E 4.0537 8.0467 117.1788 58.8664 29.3890 178.7675 36 R 4.3326 7.6902 116.5923 55.8245 30.4991 177.2426 37 G 3.8484 7.6465 106.1610 46.3661 0.0000 172.7377 38 H 4.6596 8.2498 118.9890 54.6519 30.8491 174.7560 39 K 4.8478 7.7360 124.0225 54.4587 36.2350 176.3289 40 S 4.4251 9.4199 117.4312 57.5715 64.4161 173.7747 41 P 4.1525 0.0000 0.0000 65.6790 31.1669 178.7202 42 S 4.1076 8.0847 112.4890 61.7640 62.7157 175.8588 43 E 3.9353 8.0985 122.6919 59.1352 29.0912 179.6557 44 Q 4.0189 7.9535 117.1646 59.2008 28.8293 178.7569 45 R 4.0913 7.8455 118.5341 59.2681 29.9937 179.4241 46 R 3.9206 8.0363 117.8249 59.7399 30.2160 178.3483 47 S 4.0492 7.8018 112.4215 61.5558 62.3305 175.7069 48 E 4.0735 8.7176 120.7418 59.8293 29.5382 179.5330 49 L 3.9852 7.7879 119.7745 57.8326 42.2276 178.5923 50 W 4.2146 8.5510 128.6978 60.9494 30.6130 177.4561 51 H 3.8009 8.2515 115.0658 58.9299 28.3131 177.4610 52 A 3.9221 7.8507 122.2192 55.4400 17.9866 179.7958 53 R 3.7688 7.6749 114.8890 59.5625 30.3024 179.1535 54 Q 3.9092 7.3010 115.7478 58.8712 28.9843 178.1993 55 V 3.6163 8.0640 120.6419 65.6639 31.4699 177.2729 56 E 4.0877 7.7077 116.0265 57.8738 29.4092 177.9213 57 L 4.2253 7.2773 117.8154 57.8028 42.2173 176.6178 58 S 4.2624 7.9001 116.2882 58.5431 62.9482 173.7957 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 3 S 8.33 4.43 0.00 3.99 4.04 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 4 I 7.53 3.86 1.87 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 1.41 0.67 0.91 0.00 0.00 5 E 9.54 4.03 0.00 1.96 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 2.31 2.33 0.00 6 I 7.97 4.31 1.87 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 1.42 0.69 0.91 0.00 0.00 7 P 0.00 4.39 0.00 2.28 1.99 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 8 L 8.77 3.96 0.00 1.70 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.42 4.03 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.14 4.09 0.00 2.26 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 2.36 2.51 0.00 11 I 7.49 3.83 1.92 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 1.96 0.74 0.91 0.00 0.00 12 I 8.02 3.76 1.98 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 1.39 1.05 0.89 0.00 0.00 13 R 7.80 4.63 0.00 2.06 2.01 0.00 3.32 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 14 K 7.77 3.81 0.00 1.89 1.97 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 L 8.00 4.03 0.00 1.87 1.67 0.91 0.65 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 16 E 8.09 3.88 0.00 2.15 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 2.40 2.56 0.00 17 R 7.82 3.90 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 18 M 7.89 3.97 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 19 N 8.55 4.37 0.00 2.87 2.92 0.00 0.00 7.06 6.96 0.00 0.00 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 Q 8.39 4.12 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 21 K 8.37 3.93 0.00 1.86 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.59 7.81 22 K 8.01 3.91 0.00 2.10 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 23 Q 8.96 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 24 A 8.28 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 26 R 7.68 3.88 0.00 2.13 1.97 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 27 K 7.75 3.95 0.00 1.83 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 28 R 7.87 3.91 0.00 2.04 1.97 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 29 H 8.53 4.21 0.00 3.30 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.18 3.79 0.00 2.01 1.93 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 31 L 7.69 3.91 0.00 1.92 1.85 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.24 4.30 0.00 3.09 2.89 0.00 0.00 7.10 7.28 0.00 0.00 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 R 7.87 3.95 0.00 1.95 2.10 0.00 2.90 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 34 K 7.86 3.90 0.00 1.79 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 E 8.05 4.05 0.00 2.14 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 2.34 2.46 0.00 36 R 7.69 4.33 0.00 1.78 2.00 0.00 3.23 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 37 G 7.65 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 38 H 8.25 4.66 0.00 3.08 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.74 4.85 0.00 1.65 1.58 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.37 7.81 40 S 9.42 4.43 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.15 0.00 2.18 2.14 0.00 3.61 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 2.12 2.20 0.00 42 S 8.08 4.11 0.00 4.04 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 43 E 8.10 3.94 0.00 2.31 2.04 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 2.31 2.36 0.00 44 Q 7.95 4.02 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 45 R 7.85 4.09 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 46 R 8.04 3.92 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 47 S 7.80 4.05 0.00 4.00 4.02 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 48 E 8.72 4.07 0.00 2.09 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 0.00 2.39 2.53 0.00 49 L 7.79 3.99 0.00 1.70 2.05 0.95 1.33 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 50 W 8.55 4.21 0.00 3.43 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 51 H 8.25 3.80 0.00 3.38 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.85 3.92 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 53 R 7.67 3.77 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 54 Q 7.30 3.91 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 1.26 1.98 0.00 55 V 8.06 3.62 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 0.94 0.00 0.00 0.86 0.00 0.00 56 E 7.71 4.09 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 57 L 7.28 4.23 0.00 1.77 1.64 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.90 4.26 0.00 3.95 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