NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4746 8.3049 120.3542 54.8057 34.1944 175.4931 2 K 3.8829 7.8365 116.3193 51.6226 32.7742 174.1717 3 K 3.7249 6.8020 116.1338 60.8618 33.5878 179.4656 4 D 4.0630 7.2606 115.7705 57.4641 43.4148 177.0731 5 I 3.8064 7.8468 119.2472 64.5879 37.2094 176.0291 6 H 4.8408 7.9109 117.2123 53.5713 31.9834 173.0971 7 P 4.3813 0.0000 0.0000 63.1081 31.3135 179.6107 8 K 4.6243 7.8880 123.9325 57.6265 36.5680 174.6264 9 Y 4.4103 8.8496 126.2945 56.4466 43.8384 173.6514 10 E 3.7574 9.6595 112.0981 57.1324 28.3579 174.3084 11 E 4.2804 5.9000 115.5798 55.1836 31.3660 176.3066 12 I 4.8341 7.8810 115.7970 60.4550 39.6758 173.9377 13 T 4.4326 8.0451 115.0476 61.6737 70.7935 170.9815 14 A 5.1834 8.5179 125.7945 49.6799 20.8612 177.1930 15 S 4.5290 8.6005 118.1567 56.7145 61.7404 173.5900 16 C 4.5944 8.4358 123.1193 59.3351 30.4347 174.5225 17 S 4.3407 8.9950 114.7900 58.7458 62.2405 176.1886 18 C 4.4656 9.2733 115.5087 57.3350 27.2701 172.7445 19 G 4.3112 8.8361 118.1593 43.0941 0.0000 170.3755 20 N 4.3411 6.9163 114.2485 51.9369 41.9905 174.2947 21 V 4.4116 8.4720 124.3140 61.4504 34.1360 175.1481 22 M 4.6029 8.4990 128.0518 55.0570 32.8469 175.5808 23 K 4.4583 7.6382 118.7688 55.7638 35.4892 174.6082 24 I 4.9796 7.9553 116.9696 59.9655 41.4261 174.8265 25 R 4.6974 9.2080 128.0003 56.4536 34.1664 175.1373 26 S 4.8816 8.9123 123.5162 59.3379 69.7325 177.8286 27 T 3.8344 9.5570 113.4480 64.1053 69.0911 173.2177 28 V 4.4461 7.9558 118.5348 60.5331 36.4014 175.7060 29 G 3.8602 9.8979 107.1144 46.6115 0.0000 170.5604 30 H 4.7274 7.9437 124.0846 54.9025 37.0307 177.1793 31 D 5.3432 8.7443 118.2208 53.3176 41.5940 173.1236 32 L 4.6401 7.3632 117.7170 57.1216 42.7423 171.2272 33 N 5.3378 8.2910 112.6689 55.2963 39.9337 172.8821 34 L 3.3659 8.6536 113.8724 56.2873 39.6511 173.3051 35 D 4.4847 7.6835 119.4825 51.5806 41.7567 176.4499 36 V 3.6057 8.0972 125.1636 63.0001 31.2227 175.0181 37 C 4.4327 8.5880 123.6001 56.8695 30.5679 174.5682 38 S 4.2327 9.0446 119.7593 61.3811 63.2645 176.9517 39 K 4.5550 7.4285 124.8327 55.2162 31.1383 176.0996 40 C 3.5707 8.5475 116.3443 61.9939 29.0982 173.9758 41 H 4.4711 8.7066 111.7575 53.8131 30.5780 172.6106 42 P 4.0887 0.0000 0.0000 61.3550 30.9503 174.6220 43 F 4.7481 8.6097 125.6355 56.0918 42.1741 174.4444 44 F 4.7942 7.3482 120.9932 55.7210 38.0657 175.2590 45 T 4.0835 8.3169 115.3191 60.6248 70.2982 175.1030 46 G 4.8919 8.0014 112.7247 44.3223 0.0000 172.9388 47 K 4.6204 7.3324 119.2616 57.0724 35.3953 175.1541 48 Q 4.8290 7.9951 115.3542 55.7644 32.1604 173.9337 49 R 4.2523 8.6278 118.0607 58.1744 30.6979 178.2366 50 D 4.6324 8.6831 119.5661 55.0495 41.3448 175.2029 51 V 4.0951 7.6782 116.8263 64.8238 31.9039 177.4662 52 A 4.0222 8.6800 121.0521 55.5415 16.8126 179.5902 53 T 4.0759 7.9808 110.8783 64.7434 67.2817 176.4555 54 G 3.9804 7.6191 108.7496 47.4674 0.0000 175.5330 55 G 3.9914 7.8000 105.7176 46.6623 0.0000 175.0514 56 R 4.0781 7.4208 120.1907 58.1748 30.5500 177.8716 57 V 3.7975 7.3061 112.8273 64.6690 33.3613 177.7884 58 D 5.0492 7.6680 120.0475 53.8186 41.4710 177.6136 59 R 4.3218 10.2476 112.6396 55.4000 30.2967 176.4137 60 F 6.1702 9.1424 134.3939 60.2343 38.9208 174.6674 61 N 4.7539 7.3557 118.3739 55.7037 39.1730 177.3666 62 K 3.5677 8.0115 117.2123 59.6793 32.4435 179.1315 63 R 4.3199 8.1054 115.1065 57.5350 30.2229 176.4734 64 F 5.0880 9.1011 119.8323 57.7859 40.9874 175.5574 65 N 4.3260 7.9529 116.2428 54.9564 38.8625 174.2925 66 I 4.6709 7.5441 116.2172 62.4110 39.0169 175.9759 67 P 4.4590 0.0000 0.0000 63.9092 32.9498 176.7061 68 G 3.2330 7.7098 106.0763 45.1666 0.0000 175.3870 69 S 3.7926 8.7995 126.6424 59.4976 63.0646 174.8486 70 K 4.1933 8.5838 123.9024 56.6638 31.2989 176.5988 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 8.30 4.47 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 7.84 3.88 0.00 1.99 1.64 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 3 K 6.80 3.72 0.00 2.14 2.26 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.67 7.81 4 D 7.26 4.06 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.85 3.81 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.99 0.00 0.00 6 H 7.91 4.84 0.00 3.09 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.78 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 4.38 0.00 2.10 1.86 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 8 K 7.89 4.62 0.00 1.95 1.42 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.21 7.81 9 Y 8.85 4.41 0.00 3.00 2.71 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 10 E 9.66 3.76 0.00 2.00 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 2.25 2.31 0.00 11 E 5.90 4.28 0.00 1.16 1.58 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 2.01 1.82 0.00 12 I 7.88 4.83 1.86 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 1.17 -0.06 0.93 0.00 0.00 13 T 8.05 4.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 14 A 8.52 5.18 1.23 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 0.00 0.00 0.00 15 S 8.60 4.53 0.00 3.90 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 16 C 8.44 4.59 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.00 4.34 0.00 3.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.47 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.92 4.34 0.00 2.63 2.64 0.00 0.00 6.64 7.71 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 21 V 8.47 4.41 2.18 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 0.89 0.00 0.00 0.94 0.00 0.00 22 M 8.50 4.60 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 23 K 7.64 4.46 0.00 1.98 1.97 0.00 1.51 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.47 7.81 24 I 7.96 4.98 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 1.24 0.95 0.91 0.00 0.00 25 R 9.21 4.70 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 26 S 8.91 4.88 0.00 3.85 3.57 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 27 T 9.56 3.83 4.27 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 1.24 0.00 0.00 28 V 7.96 4.45 2.06 0.00 0.00 0.00 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 1.08 0.00 0.00 29 G 9.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.94 4.73 0.00 3.05 2.34 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.74 5.34 0.00 2.70 2.73 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 0.00 0.00 0.00 0.00 32 L 7.36 4.64 0.00 1.80 1.92 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.29 5.34 0.00 2.96 3.07 0.00 0.00 6.38 7.79 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 34 L 8.65 3.37 0.00 1.69 1.63 0.75 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.68 4.48 0.00 2.85 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 0.00 0.00 0.00 36 V 8.10 3.61 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 0.79 0.00 0.00 0.88 0.00 0.00 37 C 8.59 4.43 0.00 3.17 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 38 S 9.04 4.23 0.00 4.05 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 0.00 39 K 7.43 4.56 0.00 1.85 1.68 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.44 7.81 40 C 8.55 3.57 0.00 3.22 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 41 H 8.71 4.47 0.00 3.22 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.09 0.00 2.12 2.09 0.00 3.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 43 F 8.61 4.75 0.00 3.13 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 44 F 7.35 4.79 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.32 4.08 4.26 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 1.23 0.00 0.00 46 G 8.00 4.89 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 K 7.33 4.62 0.00 1.99 2.05 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.48 7.81 48 Q 8.00 4.83 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.60 7.05 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 49 R 8.63 4.25 0.00 1.94 1.88 0.00 3.44 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 50 D 8.68 4.63 0.00 2.83 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 51 V 7.68 4.10 2.33 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 52 A 8.68 4.02 1.37 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 53 T 7.98 4.08 4.25 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 1.23 0.00 0.00 54 G 7.62 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 0.00 0.00 0.00 55 G 7.80 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 0.00 0.00 0.00 56 R 7.42 4.08 0.00 1.75 1.88 0.00 3.21 0.00 0.00 3.23 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 57 V 7.31 3.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.91 0.00 0.00 58 D 7.67 5.05 0.00 2.87 1.72 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 59 R 10.25 4.32 0.00 1.92 1.51 0.00 3.57 0.00 0.00 3.17 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 60 F 9.14 6.17 0.00 3.11 3.15 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 61 N 7.36 4.75 0.00 2.83 2.88 0.00 0.00 7.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.01 3.57 0.00 1.97 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.49 7.81 63 R 8.11 4.32 0.00 2.04 2.14 0.00 3.43 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 64 F 9.10 5.09 0.00 3.09 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 65 N 7.95 4.33 0.00 2.77 2.78 0.00 0.00 6.98 8.62 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 66 I 7.54 4.67 1.86 0.00 0.00 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 1.29 1.74 0.94 0.00 0.00 67 P 0.00 4.46 0.00 2.33 2.36 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 68 G 7.71 3.23 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 0.00 0.00 0.00 0.00 69 S 8.80 3.79 0.00 4.09 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 70 K 8.58 4.19 0.00 1.87 1.88 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.44 7.81