NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5248 8.0333 111.0746 61.5827 70.8497 172.6369 2 M 4.4310 8.8831 127.9283 54.8539 32.8175 173.7910 3 C 5.0336 9.8257 121.8670 54.9749 45.7552 173.1758 4 Y 4.9759 8.1208 118.6232 58.6342 38.6323 175.6545 5 S 4.6459 8.8518 116.5044 57.2903 66.7322 172.9545 6 H 4.7582 7.7646 121.7939 56.4126 31.6166 172.0282 7 T 5.1293 7.5466 107.3875 60.5559 70.9631 173.9591 8 T 4.0104 8.6173 109.9226 64.0120 69.2004 174.8196 9 T 4.6468 7.4177 112.0475 61.0706 69.3479 173.3687 10 S 4.7163 7.8684 114.4072 56.9319 65.5411 173.3303 11 R 4.3635 8.3418 124.1391 55.1831 31.2341 176.1340 12 A 4.4523 8.4737 124.9274 52.2870 18.8929 176.9700 13 I 4.4208 8.7812 116.3022 59.4396 41.2096 174.8017 14 L 4.8425 8.4111 125.4867 53.6224 41.5199 175.6128 15 T 4.3806 8.4517 115.1181 60.3150 71.5691 173.3111 16 N 4.9435 8.4598 120.8972 52.5385 39.7311 174.7620 17 C 4.7313 8.9732 125.0136 54.6457 41.7776 174.2609 18 G 4.0070 8.7388 114.0894 45.6757 0.0000 174.2201 19 E 4.3522 8.9588 124.2315 55.8550 29.4417 175.3253 20 N 4.6636 7.7022 118.0689 52.7421 40.1090 174.2788 21 S 4.6216 8.2959 115.9946 58.1786 65.2852 173.3112 22 C 5.5027 8.7407 117.6724 55.4156 43.0342 173.4071 23 Y 4.9336 8.2801 121.6751 55.1932 40.2066 176.7077 24 R 4.8370 8.2410 117.2255 55.4613 31.7150 172.1739 25 K 4.4682 9.2394 124.5026 56.2101 33.4881 175.6418 26 S 5.0090 8.4973 120.7062 57.2495 68.5830 172.9098 27 R 4.2754 8.7204 121.4887 55.7702 29.5866 176.7086 28 R 4.0655 8.6814 128.5593 59.2343 30.3057 176.1848 29 H 4.8787 7.9367 113.8587 53.2604 30.3677 173.2460 30 P 4.3304 0.0000 0.0000 62.4016 31.6109 174.4026 31 P 4.3346 0.0000 0.0000 62.2037 31.2131 176.6677 32 K 5.1468 8.8313 123.8081 56.2186 31.3470 175.6465 33 M 4.6823 8.2188 122.3882 52.8320 34.1882 175.4571 34 V 4.1954 8.3072 122.0653 62.5613 32.1116 175.3178 35 L 4.7484 9.8699 127.1573 53.2177 42.9729 176.6236 36 G 4.4368 7.2548 113.9479 45.7004 0.0000 171.9349 37 R 4.2314 7.7676 119.0360 53.8863 34.8479 175.8451 38 G 3.6320 6.8518 104.3964 45.2728 0.0000 171.8599 39 C 5.0284 9.1101 118.1819 55.5591 41.8167 173.7867 40 G 3.6197 8.1889 111.4578 47.1220 0.0000 172.1030 41 C 5.2161 7.8443 111.2496 55.8357 44.9997 172.0780 42 P 4.3518 0.0000 0.0000 61.6349 32.0619 174.6018 43 P 4.6425 0.0000 0.0000 62.2273 32.6085 175.3295 44 G 4.0511 7.8823 105.9770 45.3790 0.0000 169.8695 45 D 4.5775 7.5293 118.7893 52.7140 41.6387 174.2281 46 D 4.4977 8.8002 117.1669 58.1625 41.3097 177.4378 47 N 4.5887 8.3489 116.2382 55.5707 39.6662 175.4315 48 L 4.9765 8.7921 118.9493 53.3581 44.2023 175.8462 49 E 4.7683 9.0442 124.4277 53.9182 30.0435 173.6156 50 V 3.7836 8.0347 123.0137 62.2585 32.6713 175.0821 51 K 4.5089 8.6840 127.9332 54.7989 33.7674 173.1784 52 C 5.3482 8.6731 123.8792 56.0551 35.8860 172.0884 53 C 5.2017 9.4369 118.1533 54.2369 44.6391 174.6811 54 T 4.3137 8.5327 111.2058 61.3640 69.4255 174.3363 55 S 4.6397 7.2744 113.9483 57.2729 65.7391 174.7495 56 P 4.7448 0.0000 0.0000 63.2350 30.1686 175.6886 57 D 4.5769 8.5205 116.6333 54.7390 41.8020 176.2117 58 K 3.4526 9.0403 120.1932 57.5886 29.9465 175.5328 59 C 4.6037 7.6604 111.4758 57.2845 41.8350 173.6342 60 N 4.9128 8.0094 117.2447 52.7053 37.3680 174.2198 61 Y 4.2357 7.7388 124.4240 58.7971 38.7747 175.8292 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 T 8.03 4.52 4.21 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 1.28 0.00 0.00 2 M 8.88 4.43 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 3 C 9.83 5.03 0.00 2.73 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 4 Y 8.12 4.98 0.00 2.83 2.81 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 5 S 8.85 4.65 0.00 3.80 3.65 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 6 H 7.76 4.76 0.00 3.28 3.51 0.00 5.45 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.55 5.13 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 1.25 0.00 0.00 8 T 8.62 4.01 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 9 T 7.42 4.65 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 1.22 0.00 0.00 10 S 7.87 4.72 0.00 3.81 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 11 R 8.34 4.36 0.00 1.72 1.81 0.00 3.24 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 12 A 8.47 4.45 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.78 4.42 1.91 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 1.42 1.32 0.94 0.00 0.00 14 L 8.41 4.84 0.00 1.62 1.59 0.45 0.84 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 15 T 8.45 4.38 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 1.21 0.00 0.00 16 N 8.46 4.94 0.00 2.71 2.75 0.00 0.00 6.97 7.65 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 17 C 8.97 4.73 0.00 2.98 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 18 G 8.74 4.01 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 0.00 0.00 0.00 19 E 8.96 4.35 0.00 1.97 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 0.00 2.26 2.23 0.00 20 N 7.70 4.66 0.00 2.67 2.73 0.00 0.00 7.13 7.63 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 21 S 8.30 4.62 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 22 C 8.74 5.50 0.00 3.00 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 23 Y 8.28 4.93 0.00 2.90 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 24 R 8.24 4.84 0.00 1.95 1.85 0.00 3.38 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 25 K 9.24 4.47 0.00 2.00 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.42 7.81 26 S 8.50 5.01 0.00 3.81 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 27 R 8.72 4.28 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 28 R 8.68 4.07 0.00 1.75 2.03 0.00 3.32 0.00 0.00 2.97 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.36 0.00 29 H 7.94 4.88 0.00 3.19 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.33 0.00 2.05 2.02 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 31 P 0.00 4.33 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 32 K 8.83 5.15 0.00 1.67 1.84 0.00 1.76 0.00 0.00 2.41 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.33 7.81 33 M 8.22 4.68 0.00 2.05 2.14 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 2.55 2.59 0.00 34 V 8.31 4.20 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 0.97 0.00 0.00 0.87 0.00 0.00 35 L 9.87 4.75 0.00 1.54 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.25 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 37 R 7.77 4.23 0.00 1.60 1.70 0.00 3.18 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 38 G 6.85 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 0.00 0.00 0.00 39 C 9.11 5.03 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 40 G 8.19 3.62 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 0.00 0.00 0.00 41 C 7.84 5.22 0.00 2.94 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 42 P 0.00 4.35 0.00 1.84 1.80 0.00 3.23 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.74 0.00 43 P 0.00 4.64 0.00 2.00 1.97 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 44 G 7.88 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 45 D 7.53 4.58 0.00 2.80 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 46 D 8.80 4.50 0.00 2.69 2.82 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 47 N 8.35 4.59 0.00 2.78 2.87 0.00 0.00 7.08 6.74 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 48 L 8.79 4.98 0.00 1.62 1.55 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.04 4.77 0.00 1.95 1.77 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 2.19 2.20 0.00 50 V 8.03 3.78 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 0.77 0.00 0.00 0.91 0.00 0.00 51 K 8.68 4.51 0.00 1.90 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.41 7.81 52 C 8.67 5.35 0.00 2.94 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 53 C 9.44 5.20 0.00 2.93 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 54 T 8.53 4.31 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 1.22 0.00 0.00 55 S 7.27 4.64 0.00 3.93 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 56 P 0.00 4.74 0.00 2.18 1.94 0.00 3.76 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 1.96 1.97 0.00 57 D 8.52 4.58 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 58 K 9.04 3.45 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.80 1.17 7.81 59 C 7.66 4.60 0.00 3.12 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.91 0.00 2.95 2.96 0.00 0.00 6.00 7.55 0.00 0.00 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 Y 7.74 4.24 0.00 3.32 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