NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1895 8.3149 120.1357 56.1946 33.4011 174.6689 7 K 4.5118 8.0126 123.5372 54.7637 34.4569 173.8891 8 Y 5.3864 8.7552 121.3395 56.7778 42.6624 173.9752 9 A 4.7534 9.1928 122.7016 50.6471 23.2280 174.9321 10 K 4.8973 8.5103 121.4711 54.6800 34.5404 175.6339 11 S 4.3774 8.8443 122.4528 57.8221 62.7354 174.9681 12 K 3.6355 8.8023 128.6649 58.7096 32.2810 175.0649 13 Y 4.9581 7.3683 113.7884 56.4896 42.3331 174.2427 14 D 5.0343 8.8444 119.5566 54.2121 42.8041 177.0472 15 F 4.6841 9.2514 123.5605 57.2710 42.2719 173.3140 16 V 3.8890 7.8912 127.1745 61.3599 32.0689 175.4745 17 A 3.8921 8.8439 133.7147 51.7149 18.8022 177.1792 18 R 4.0676 8.8462 121.3916 58.8737 30.5954 176.7526 19 N 4.9609 7.7896 119.6290 52.3065 36.8885 175.6824 20 S 4.6595 8.6732 110.4979 58.6880 64.7169 174.5271 21 S 4.7153 8.1538 115.2201 58.3279 62.7653 173.3168 22 E 4.7947 7.9482 119.1594 54.3504 32.6364 174.8275 23 L 4.6508 8.3764 122.9932 53.5938 43.1876 176.1198 24 S 4.7097 8.7312 123.2103 58.6567 63.7989 174.2709 25 V 4.6332 9.0133 116.5802 60.0087 35.7843 174.8337 26 M 4.9443 9.1635 123.5642 53.4116 34.5041 175.7684 27 K 4.0450 9.1444 123.0219 58.0592 32.7326 176.5029 28 D 4.5255 9.1502 125.1158 55.3817 38.7008 173.1930 29 D 4.7663 7.7108 119.5954 53.4862 42.5186 176.0768 30 V 4.5678 8.4139 117.1573 60.3728 32.5421 175.3553 31 L 4.8706 8.9136 126.0762 52.7517 44.9645 175.3833 32 E 4.3409 8.6161 122.9775 55.3041 30.9549 175.4729 33 I 4.1160 8.2730 128.2169 60.0101 38.0281 175.8586 34 L 4.0067 8.4456 128.5241 54.6165 41.2885 177.7664 35 D 4.5775 8.6099 125.1302 53.7411 39.5890 173.1561 36 D 4.8424 8.5192 115.9440 54.1853 43.4228 176.3626 37 R 4.6360 7.5990 117.7290 55.2176 29.3801 174.8692 38 R 4.0371 7.4857 120.1380 56.6350 31.5563 177.6369 39 Q 3.3759 7.8325 114.2391 56.6526 25.9442 172.2411 40 W 4.8976 8.1778 117.5434 54.6404 32.1254 175.6140 41 W 5.2885 8.8562 122.4716 55.0743 32.1519 175.1889 42 K 4.1949 8.7595 123.6456 55.5664 32.0727 175.9650 43 V 4.5505 8.4975 121.0750 59.5272 35.1546 174.8509 44 R 5.0525 8.2040 121.7726 54.4644 32.5135 175.0743 45 N 4.6418 9.6325 124.3610 53.0014 39.8386 175.6358 46 A 4.3330 8.6016 122.7441 52.9314 18.3764 178.0652 47 S 4.5629 7.8520 110.2718 57.5518 64.0871 174.0529 48 G 4.1530 8.1980 107.4726 46.4290 0.0000 174.4622 49 D 4.5122 8.1030 118.8712 54.6688 41.4414 175.3015 50 S 5.0115 8.0349 115.2760 56.6622 65.9402 173.7795 51 G 4.0504 7.9012 110.5404 46.5674 0.0000 171.3354 52 F 5.7593 9.1892 118.3139 56.0450 41.3546 175.8495 53 V 4.5967 8.9360 121.1856 60.5403 35.3925 172.6210 54 P 3.6824 0.0000 0.0000 61.8392 31.7750 177.3134 55 N 3.6813 7.8209 121.9591 55.2556 37.1064 176.9193 56 N 4.4136 7.7385 115.4199 54.6460 37.2934 175.3162 57 I 4.2415 7.0581 110.8650 60.1105 37.8615 174.8573 58 L 4.6394 8.0163 121.5876 53.3301 43.4860 175.5166 59 D 4.8131 8.5964 124.0080 52.5356 41.9121 176.5072 60 I 3.9452 8.3790 125.8586 61.4955 37.7487 175.5741 61 M 4.4338 8.4884 125.2475 54.7133 32.8996 175.6628 62 R 4.6195 7.9328 117.4338 54.9498 32.3517 174.6713 63 T 4.0112 8.7586 116.2463 64.0317 69.0950 172.8922 64 P 3.1638 0.0000 0.0000 60.8955 32.3971 175.6617 65 E 4.2279 8.8047 125.6664 57.0053 28.7546 175.0139 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 6 K 8.31 4.19 0.00 1.91 1.87 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 7 K 8.01 4.51 0.00 1.86 1.62 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.59 7.81 8 Y 8.76 5.39 0.00 2.76 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 9 A 9.19 4.75 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 10 K 8.51 4.90 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.64 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 11 S 8.84 4.38 0.00 3.98 3.93 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 12 K 8.80 3.64 0.00 1.55 0.79 0.00 1.63 0.00 0.00 1.01 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 1.23 7.81 13 Y 7.37 4.96 0.00 2.86 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 14 D 8.84 5.03 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.25 4.68 0.00 3.12 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.89 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 0.67 0.00 0.00 0.83 0.00 0.00 17 A 8.84 3.89 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 18 R 8.85 4.07 0.00 1.98 2.07 0.00 3.25 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 19 N 7.79 4.96 0.00 2.87 2.73 0.00 0.00 5.86 7.64 0.00 0.00 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 S 8.67 4.66 0.00 3.87 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 21 S 8.15 4.72 0.00 4.12 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 22 E 7.95 4.79 0.00 2.13 2.22 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 2.61 2.57 0.00 23 L 8.38 4.65 0.00 1.59 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.73 4.71 0.00 3.77 3.72 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 25 V 9.01 4.63 2.16 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 0.85 0.00 0.00 1.12 0.00 0.00 26 M 9.16 4.94 0.00 1.94 2.29 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 2.56 2.63 0.00 27 K 9.14 4.04 0.00 1.86 1.72 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 28 D 9.15 4.53 0.00 2.82 2.79 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 29 D 7.71 4.77 0.00 2.84 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 30 V 8.41 4.57 2.14 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 0.70 0.00 0.00 0.95 0.00 0.00 31 L 8.91 4.87 0.00 1.56 1.51 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.62 4.34 0.00 1.78 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 33 I 8.27 4.12 1.79 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 1.18 0.63 0.93 0.00 0.00 34 L 8.45 4.01 0.00 1.58 1.60 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.61 4.58 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.84 0.00 2.59 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 37 R 7.60 4.64 0.00 1.68 1.78 0.00 3.25 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 38 R 7.49 4.04 0.00 2.02 2.54 0.00 4.05 0.00 0.00 3.59 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 39 Q 7.83 3.38 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 40 W 8.18 4.90 0.00 3.18 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.86 5.29 0.00 3.37 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.19 0.00 1.55 1.63 0.00 0.87 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.07 7.81 43 V 8.50 4.55 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 0.79 0.00 0.00 0.99 0.00 0.00 44 R 8.20 5.05 0.00 1.74 1.75 0.00 3.23 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 45 N 9.63 4.64 0.00 2.82 2.88 0.00 0.00 6.57 6.99 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 46 A 8.60 4.33 1.27 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 0.00 0.00 47 S 7.85 4.56 0.00 3.81 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 48 G 8.20 4.15 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 49 D 8.10 4.51 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 5.01 0.00 3.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 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 52 F 9.19 5.76 0.00 2.86 3.37 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 53 V 8.94 4.60 2.17 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 0.89 0.00 0.00 1.05 0.00 0.00 54 P 0.00 3.68 0.00 1.88 1.15 0.00 3.31 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.20 0.00 55 N 7.82 3.68 0.00 1.44 1.42 0.00 0.00 6.30 6.85 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 56 N 7.74 4.41 0.00 2.69 2.83 0.00 0.00 5.89 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 57 I 7.06 4.24 1.79 0.00 0.00 0.75 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 0.61 0.78 0.00 0.00 58 L 8.02 4.64 0.00 1.61 1.75 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.60 4.81 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 3.95 1.94 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 1.68 0.83 0.91 0.00 0.00 61 M 8.49 4.43 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 62 R 7.93 4.62 0.00 1.86 1.85 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 63 T 8.76 4.01 4.24 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 1.21 0.00 0.00 64 P 0.00 3.16 0.00 2.06 1.82 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 2.02 2.16 0.00 65 E 8.80 4.23 0.00 2.03 2.27 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 2.16 2.18 0.00