NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5274 7.9900 121.8796 55.1064 43.1694 175.2715 2 K 3.7664 8.5861 125.3962 57.7750 33.9590 175.1384 3 C 3.8915 8.7950 114.8519 56.1089 39.3666 171.6422 4 N 4.9224 8.2751 116.8852 52.6377 38.9311 176.3336 5 K 5.2927 7.9382 120.1832 55.5186 34.7703 177.0605 6 L 4.1489 8.6997 116.5211 58.3595 41.8001 178.0025 7 I 4.0431 6.9460 115.4223 60.1783 37.7267 174.2765 8 P 4.2555 0.0000 0.0000 65.2176 31.2529 176.4722 9 I 4.1183 7.5312 118.7451 59.2948 36.8750 173.6080 10 A 4.6631 8.3675 130.0527 50.0145 21.8632 175.2708 11 S 4.0776 8.5209 110.5148 58.8939 62.3682 173.0631 12 K 4.3482 7.8426 121.2977 56.8937 33.2834 174.6510 13 T 4.8836 7.5821 113.9430 60.4345 70.4101 171.9852 14 C 4.8879 8.5195 123.3930 52.6348 44.6118 171.2192 15 P 3.9993 0.0000 0.0000 62.8560 31.2125 175.3659 16 A 3.3034 8.1966 118.9900 53.5188 18.4251 176.0328 17 G 3.9724 8.2084 105.6829 46.1993 0.0000 175.6700 18 K 4.2990 7.7391 119.7308 54.6944 31.4834 175.7499 19 N 4.3555 8.1505 124.1933 56.5754 38.0464 176.1478 20 L 4.0836 7.7996 119.7117 54.7304 42.4285 176.3326 21 C 5.1462 9.1010 123.1883 55.8131 39.1357 172.8773 22 Y 4.5211 8.4280 122.9186 57.0743 39.1558 175.4250 23 K 4.9302 8.9857 121.8087 54.4489 32.4315 174.8479 24 M 3.9559 8.4661 124.2866 55.4018 30.2384 174.7703 25 F 4.9197 8.0508 121.3434 56.9304 41.0045 174.3677 26 M 4.5625 8.5736 122.0280 55.4790 32.2842 176.8555 27 M 3.9276 8.1909 123.5411 58.9794 32.3323 177.8730 28 S 4.2988 8.1081 113.4572 61.0564 63.4178 174.1622 29 D 4.5526 7.5669 118.6672 51.9917 41.1225 174.1667 30 L 3.1439 8.0219 119.9607 56.8354 42.0823 181.7954 31 T 3.0040 5.7900 109.2002 62.8302 71.9836 173.5452 32 I 4.2524 7.1458 129.8355 57.9087 37.3408 174.0986 33 P 4.6368 0.0000 0.0000 62.5466 32.0383 177.3642 34 V 3.8581 8.7637 120.2607 65.8087 31.8897 175.9969 35 K 4.8944 7.8315 117.2157 55.1193 37.5863 175.2543 36 R 5.0729 8.5536 119.2916 54.4088 33.8639 172.9889 37 G 3.8570 9.2033 116.2258 45.9457 0.0000 170.5202 38 C 5.2524 7.9213 119.8658 53.5411 38.4613 172.9171 39 I 4.3128 8.1719 120.0434 60.5807 41.2582 174.9879 40 D 4.3122 8.8338 126.0375 55.6115 39.8319 176.9494 41 V 4.3290 7.2204 117.1571 59.9897 34.5595 175.0164 42 C 4.0845 8.7755 123.0370 56.6635 39.6056 171.8428 43 P 4.1360 0.0000 0.0000 62.0431 31.1271 177.3838 44 K 4.1986 8.2855 118.3713 56.0260 30.0441 175.6837 45 N 4.3222 8.6220 120.4437 52.9507 37.4790 175.7307 46 S 4.4989 8.3885 118.5400 56.7260 64.0221 173.9990 47 L 3.9745 8.4817 120.4352 57.4676 40.9001 178.3812 48 L 4.5507 7.8148 116.1718 54.2654 42.0613 175.5734 49 V 4.4701 7.5192 117.5896 60.7133 34.6962 175.4838 50 K 4.4829 8.2256 122.7715 55.6817 33.5284 173.3706 51 Y 4.3275 8.2263 122.3466 57.6153 38.6176 175.4234 52 V 4.3962 8.3890 124.9271 62.0053 34.1401 171.8242 53 C 5.4335 8.5673 115.8215 55.8185 45.0444 172.4771 54 C 4.8322 8.6295 115.1367 55.1825 43.9274 175.2088 55 N 4.1165 8.6220 121.8910 55.8355 38.8890 174.0090 56 T 4.5464 7.4562 112.3247 59.7515 70.6650 171.3094 57 D 4.3142 8.5224 124.8131 56.3731 40.2207 177.4449 58 R 4.0783 8.7710 121.9126 56.5216 27.1613 179.2157 59 C 4.3540 8.0896 120.4874 59.1659 43.8627 173.3265 60 N 4.5213 7.4277 118.0823 52.9792 36.8702 174.6022 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 L 7.99 4.53 0.00 1.63 1.63 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.59 3.77 0.00 1.63 1.78 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.48 7.81 3 C 8.79 3.89 0.00 3.27 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.92 0.00 2.90 2.88 0.00 0.00 6.99 7.58 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 5 K 7.94 5.29 0.00 1.96 1.96 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 6 L 8.70 4.15 0.00 1.68 1.82 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 I 6.95 4.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.95 0.00 0.00 8 P 0.00 4.26 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 9 I 7.53 4.12 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 1.35 0.68 0.91 0.00 0.00 10 A 8.37 4.66 1.24 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 0.00 0.00 0.00 11 S 8.52 4.08 0.00 3.82 3.95 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 12 K 7.84 4.35 0.00 1.85 1.61 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.39 7.81 13 T 7.58 4.88 4.22 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 0.00 0.00 1.19 0.00 0.00 14 C 8.52 4.89 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 2.03 2.06 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 16 A 8.20 3.30 1.30 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 0.00 0.00 17 G 8.21 3.97 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 0.00 0.00 0.00 18 K 7.74 4.30 0.00 1.89 1.82 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.35 7.81 19 N 8.15 4.36 0.00 3.10 3.11 0.00 0.00 6.26 6.66 0.00 0.00 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 L 7.80 4.08 0.00 1.83 1.65 0.90 0.80 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 21 C 9.10 5.15 0.00 3.01 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 22 Y 8.43 4.52 0.00 3.01 2.96 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 0.00 0.00 0.00 0.00 23 K 8.99 4.93 0.00 1.65 1.35 0.00 1.26 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.44 1.13 7.81 24 M 8.47 3.96 0.00 2.01 1.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 25 F 8.05 4.92 0.00 3.10 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.57 4.56 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 27 M 8.19 3.93 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 28 S 8.11 4.30 0.00 3.87 3.87 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 29 D 7.57 4.55 0.00 2.52 2.46 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 30 L 8.02 3.14 0.00 1.25 0.69 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 T 5.79 3.00 4.16 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 0.00 0.00 0.00 1.09 0.00 0.00 32 I 7.15 4.25 1.87 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 1.42 0.50 0.94 0.00 0.00 33 P 0.00 4.64 0.00 2.18 2.21 0.00 3.80 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 34 V 8.76 3.86 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 0.68 0.00 0.00 0.92 0.00 0.00 35 K 7.83 4.89 0.00 1.84 1.86 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 36 R 8.55 5.07 0.00 1.73 2.12 0.00 3.17 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 37 G 9.20 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 38 C 7.92 5.25 0.00 2.82 3.06 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 0.00 0.00 0.00 0.00 39 I 8.17 4.31 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 1.02 0.00 0.00 40 D 8.83 4.31 0.00 2.80 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 41 V 7.22 4.33 2.05 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 0.80 0.00 0.00 0.91 0.00 0.00 42 C 8.78 4.08 0.00 3.01 3.24 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 0.00 43 P 0.00 4.14 0.00 1.54 1.88 0.00 2.20 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.90 0.00 44 K 8.29 4.20 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 45 N 8.62 4.32 0.00 2.84 3.07 0.00 0.00 6.51 7.66 0.00 0.00 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 S 8.39 4.50 0.00 3.90 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 47 L 8.48 3.97 0.00 1.66 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.81 4.55 0.00 1.64 1.61 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.52 4.47 1.30 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 0.32 0.00 0.00 -0.07 0.00 0.00 50 K 8.23 4.48 0.00 1.74 1.75 0.00 1.97 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.59 7.81 51 Y 8.23 4.33 0.00 2.73 2.62 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 0.00 0.00 0.00 0.00 52 V 8.39 4.40 1.39 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 0.86 0.00 0.00 0.99 0.00 0.00 53 C 8.57 5.43 0.00 2.97 3.02 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 54 C 8.63 4.83 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.62 4.12 0.00 2.72 2.89 0.00 0.00 7.26 7.53 0.00 0.00 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 T 7.46 4.55 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 1.20 0.00 0.00 57 D 8.52 4.31 0.00 2.73 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 58 R 8.77 4.08 0.00 2.04 2.13 0.00 3.12 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 59 C 8.09 4.35 0.00 2.97 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 60 N 7.43 4.52 0.00 2.91 2.96 0.00 0.00 7.11 7.67 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