NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9991 8.3393 109.7364 45.5319 0.0000 173.0139 2 S 4.4885 7.9413 113.8092 55.4983 66.0032 171.8479 3 S 4.4981 7.8372 113.5745 57.2948 66.0084 177.7882 4 G 5.1460 8.1745 126.8599 46.5053 0.0000 174.6214 5 S 4.4367 7.5665 114.7886 57.8454 61.5756 172.9069 6 S 4.7478 8.8751 122.7719 56.1781 65.1884 174.9986 7 G 5.0524 7.4868 127.0700 46.0020 0.0000 169.7831 8 I 4.3896 7.3311 121.2011 59.7561 40.2339 174.5842 9 N 4.7747 8.6410 124.4429 51.6546 39.8201 174.3082 10 Q 4.1815 8.5242 125.3920 55.4157 29.5341 176.1007 11 Q 4.0399 8.5042 122.2086 56.0434 29.2896 175.8923 12 E 4.3155 8.3309 123.1889 55.8136 31.4492 174.2253 13 D 4.2325 8.5571 124.0620 53.3842 42.5353 174.7225 14 S 4.1214 8.7665 121.6507 59.1642 62.8611 174.5026 15 S 4.6686 8.3829 121.2672 58.3796 63.0935 175.1802 16 E 4.5481 7.5837 118.6446 55.1471 30.2881 173.6477 17 S 4.5936 8.2777 118.2182 55.8439 66.1933 173.8061 18 C 4.2437 8.8374 124.8044 59.3403 31.7268 173.7626 19 W 4.1997 9.1521 128.5736 60.0278 28.1521 176.8430 20 N 4.4497 8.0457 115.2684 57.0265 38.3362 175.6899 21 C 4.2792 7.4503 119.0670 59.7056 29.2761 174.1286 22 G 4.3741 8.4940 111.7094 46.3679 0.0000 174.3691 23 R 3.8804 7.5775 119.6369 58.4290 30.4619 175.4944 24 K 4.5720 7.5674 118.4119 54.9025 35.4745 174.9580 25 A 4.9212 8.5220 127.4722 50.5660 21.1481 175.9081 26 S 4.6108 8.7147 116.3571 58.9314 64.9887 173.2453 27 E 4.8501 8.6434 118.9885 55.3498 32.7322 174.9663 28 T 4.8359 8.2087 114.6356 62.3348 72.9224 173.5462 29 C 3.6594 8.9438 125.7100 59.8479 32.5168 173.8849 30 S 4.3497 8.4359 121.5315 58.7983 62.3038 174.7689 31 G 4.0546 8.0685 108.1867 45.6580 0.0000 174.2715 32 C 4.6903 7.7610 110.9891 56.2594 31.3652 173.2201 33 N 4.2779 8.3025 116.9939 55.3139 36.8200 174.4588 34 T 4.3086 7.9255 111.9674 64.3772 71.3077 174.7318 35 A 2.0000 7.1329 123.8191 50.7713 19.1467 176.9045 36 R 4.5206 6.5089 121.4768 55.4390 32.7295 175.1964 37 Y 5.4112 8.3210 118.2339 56.6919 42.6422 175.8269 38 C 4.5951 9.3284 115.8850 58.4586 30.4445 173.8304 39 G 4.5032 8.0977 115.9297 44.8058 0.0000 173.5792 40 S 4.2113 8.3139 119.2576 61.6265 62.7359 176.8288 41 F 3.7580 8.4273 122.6020 61.8483 38.9599 176.7855 42 C 4.2110 8.6041 118.0368 61.9562 31.2696 175.4143 43 Q 2.5200 7.5315 121.0008 58.9990 28.6014 177.2062 44 H 4.0483 8.2574 116.4595 58.7901 28.8012 177.0252 45 K 4.0886 7.6208 118.9245 59.4715 33.0120 177.1854 46 D 4.7313 7.8847 117.4584 53.8087 40.8960 177.2967 47 W 4.7089 7.8508 128.4563 59.3625 30.5557 177.7629 48 E 3.5328 8.0831 118.6784 59.1294 28.5119 178.7653 49 K 4.1145 7.6913 118.2707 58.5736 32.8274 178.2185 50 H 4.2099 7.9037 117.9256 59.7079 29.8534 176.6870 51 H 3.1950 7.7383 120.1816 59.1975 29.0025 175.8369 52 H 4.3718 7.1835 115.3251 57.1978 28.4409 175.6398 53 I 4.3389 8.1103 113.9082 60.6657 39.4850 175.4011 54 C 4.7973 6.9712 112.6675 55.9382 31.4937 173.7222 55 S 4.1366 8.2824 116.3555 60.4919 62.8221 174.9292 56 G 4.4406 8.2152 106.4101 43.8408 0.0000 171.8927 57 P 4.3669 0.0000 0.0000 64.8073 31.6451 176.9020 58 S 4.5372 7.7034 110.8814 56.2101 65.3254 173.2924 59 S 4.6012 8.4040 121.5586 56.9847 61.6076 174.1171 60 G 3.7877 8.2459 114.9483 45.9902 0.0000 171.2945 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 G 8.34 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 0.00 0.00 0.00 2 S 7.94 4.49 0.00 4.00 3.78 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 3 S 7.84 4.50 0.00 3.78 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 4 G 8.17 5.15 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 0.00 0.00 0.00 5 S 7.57 4.44 0.00 3.99 3.92 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 0.00 0.00 0.00 6 S 8.88 4.75 0.00 3.85 3.80 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 7 G 7.49 5.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.33 4.39 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 1.30 0.71 0.96 0.00 0.00 9 N 8.64 4.77 0.00 2.67 2.71 0.00 0.00 7.28 7.08 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 10 Q 8.52 4.18 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 11 Q 8.50 4.04 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 12 E 8.33 4.32 0.00 1.88 1.80 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 2.20 2.29 0.00 13 D 8.56 4.23 0.00 2.62 2.51 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 0.00 0.00 0.00 14 S 8.77 4.12 0.00 3.87 3.80 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 15 S 8.38 4.67 0.00 4.04 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 16 E 7.58 4.55 0.00 1.90 1.88 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 2.22 2.31 0.00 17 S 8.28 4.59 0.00 4.17 3.80 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 18 C 8.84 4.24 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.15 4.20 0.00 3.07 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 N 8.05 4.45 0.00 3.00 2.98 0.00 0.00 7.10 7.73 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 21 C 7.45 4.28 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.49 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 3.88 0.00 1.81 1.93 0.00 3.43 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 24 K 7.57 4.57 0.00 1.71 1.63 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 25 A 8.52 4.92 1.35 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 0.00 0.00 26 S 8.71 4.61 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.85 0.00 1.93 1.90 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 2.26 2.50 0.00 28 T 8.21 4.84 4.18 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 1.20 0.00 0.00 29 C 8.94 3.66 0.00 2.85 2.72 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 30 S 8.44 4.35 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 4.69 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.28 0.00 2.82 2.91 0.00 0.00 6.78 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 34 T 7.93 4.31 4.23 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 0.00 0.00 0.00 1.48 0.00 0.00 35 A 7.13 2.00 -0.14 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 0.00 0.00 36 R 6.51 4.52 0.00 1.98 1.89 0.00 3.41 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 37 Y 8.32 5.41 0.00 2.88 2.72 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 38 C 9.33 4.60 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 39 G 8.10 4.50 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 0.00 0.00 0.00 40 S 8.31 4.21 0.00 3.89 3.98 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 0.00 0.00 0.00 41 F 8.43 3.76 0.00 3.09 2.98 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 0.00 0.00 0.00 42 C 8.60 4.21 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 2.52 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.25 0.00 0.00 0.00 0.00 0.00 2.26 2.54 0.00 44 H 8.26 4.05 0.00 3.04 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.62 4.09 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.60 1.38 7.81 46 D 7.88 4.73 0.00 2.83 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.85 4.71 0.00 3.41 3.11 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 0.00 0.00 0.00 0.00 48 E 8.08 3.53 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 49 K 7.69 4.11 0.00 1.86 1.92 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.48 7.81 50 H 7.90 4.21 0.00 3.53 3.70 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.74 3.19 0.00 1.40 1.96 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.18 4.37 0.00 3.27 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.11 4.34 1.90 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.94 0.00 0.00 54 C 6.97 4.80 0.00 3.21 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 55 S 8.28 4.14 0.00 3.96 3.99 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 56 G 8.22 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.37 0.00 2.09 2.33 0.00 3.59 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 58 S 7.70 4.54 0.00 3.76 3.70 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 59 S 8.40 4.60 0.00 3.89 3.80 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 60 G 8.25 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00