NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3533 8.1744 110.9436 61.1512 70.8413 173.4531 6 N 4.8360 7.7983 120.9477 52.8388 39.2843 172.7204 7 S 4.4855 8.7431 113.9848 57.8462 65.1591 173.4213 8 D 4.8299 8.5410 121.7217 55.0250 41.9112 175.2593 9 F 5.2492 7.7570 113.7566 55.7407 41.4542 173.8279 10 V 4.5522 8.8768 112.2023 59.5264 35.2481 174.9212 11 V 4.7930 8.5498 123.9152 61.3866 33.8973 174.5429 12 I 4.9173 8.9706 128.1871 59.4710 40.8676 173.9954 13 K 5.0424 9.0762 129.1459 54.2584 34.3514 175.0573 14 A 4.3838 8.8189 130.4239 52.1738 19.1530 177.3768 15 L 4.7425 8.9102 122.4570 54.4627 42.5689 175.8319 16 E 4.6488 7.6575 115.7631 55.0785 32.2308 174.3538 17 D 4.4911 8.3277 119.1442 55.4770 41.3437 177.2486 18 G 3.9048 8.4339 109.3322 45.2615 0.0000 174.0918 19 V 3.8649 7.5402 119.8466 63.2052 32.9155 174.2318 20 N 5.3265 8.9983 124.4245 51.4889 41.2831 173.6732 21 V 4.4670 8.6774 124.5550 61.4597 33.4192 174.2127 22 I 4.5363 8.7639 130.1563 59.3583 39.5266 175.1281 23 G 4.0157 8.9107 115.3871 45.2600 0.0000 172.4446 24 L 5.4425 8.7844 126.6214 53.1536 43.9464 176.3969 25 T 4.4155 8.8236 114.7083 61.7233 69.2889 174.2051 26 R 4.3108 7.8354 126.3030 56.5253 29.4307 175.6133 27 G 3.7293 8.7385 110.7434 44.3376 0.0000 173.7858 28 A 4.1644 8.5802 122.0082 54.0517 18.7713 177.4530 29 D 4.8970 7.2651 113.1772 52.9683 42.8538 176.2289 30 T 4.6909 8.2775 121.9612 61.4982 69.6555 172.7008 31 R 4.6929 9.1590 123.2669 54.0060 33.7589 174.0395 32 F 5.5773 8.6141 117.5864 57.0519 39.5609 175.9426 33 H 4.9588 8.8625 118.2307 56.2775 30.3262 174.0876 34 H 4.6403 7.4927 116.3976 55.2836 33.1746 172.2506 35 S 4.8010 8.1862 118.7801 56.3777 64.8460 172.5566 36 E 4.3320 9.0218 129.9160 55.1541 30.6428 175.0752 37 K 4.7418 8.6012 127.2015 55.7669 33.3875 176.2376 38 L 4.9548 9.0661 125.2471 53.0445 44.8235 176.0822 39 D 4.9695 9.4575 123.1914 52.7439 43.0108 175.9716 40 K 3.9950 9.0370 122.2944 58.5337 32.3475 176.5914 41 G 4.0718 8.9233 115.4186 45.2885 0.0000 173.6979 42 E 4.2158 8.0755 119.1412 56.4205 30.7182 176.2428 43 V 4.9861 8.2881 121.7614 61.0099 34.5293 174.2623 44 L 4.7524 9.1551 129.3436 53.2433 45.0316 174.8921 45 I 5.0186 8.5168 126.3590 59.6391 39.1896 174.6389 46 A 4.7360 9.0125 129.3486 50.0482 22.0342 175.4531 47 Q 4.7893 8.6109 120.4606 55.1560 30.3634 175.6637 48 F 4.8264 8.3687 120.0698 57.8347 39.9669 175.2938 49 T 4.6828 8.7903 111.3109 60.1406 71.9729 173.0730 50 E 3.9987 8.9853 121.5271 59.6250 29.6190 177.4247 51 H 4.5277 8.1806 113.6632 56.4795 29.7900 174.1844 52 T 5.0895 8.1465 116.7310 61.9379 70.9356 174.3674 53 S 5.0069 8.8370 120.4691 57.9605 64.6706 173.3979 54 A 5.0848 7.8592 121.0346 51.2901 22.5220 175.2869 55 I 4.9506 8.5240 120.2889 59.3483 40.7996 174.7388 56 K 4.5898 8.9195 127.9488 54.4934 34.8461 174.6626 57 V 4.7978 8.3825 126.4194 61.2060 33.6201 174.5641 58 R 4.5832 9.1195 127.0383 55.6410 32.9522 176.5038 59 G 4.1216 8.9447 108.4957 44.4284 0.0000 172.8110 60 K 4.4915 9.3008 121.2358 56.2669 33.0042 175.6785 61 A 5.0982 8.7722 127.8716 50.9035 23.4285 173.6467 62 Y 4.9971 9.0318 121.4561 56.1137 41.0000 174.5474 63 I 4.8394 8.4678 127.2754 59.4953 40.7793 174.3193 64 Q 5.0246 8.8083 125.9484 54.3690 31.7450 174.9348 65 T 4.8781 8.6160 112.7280 59.7991 72.4438 174.6066 66 R 3.7751 8.4879 120.3831 59.3327 30.0331 176.6276 67 H 4.6901 8.5726 112.8591 55.4660 29.5481 175.0866 68 G 3.7084 6.6639 106.9697 44.3230 0.0000 172.9804 69 V 4.8084 7.6895 113.4243 59.9914 34.9255 175.0476 70 I 4.3879 7.8796 120.6887 60.3091 41.9716 172.7487 71 E 5.2880 8.6456 125.9962 54.4709 32.3145 176.1959 72 S 4.5748 8.8068 119.2600 58.1477 65.1186 172.8798 73 E 4.8563 8.5276 119.3105 54.5747 32.9455 176.1856 74 G 3.7296 8.7457 111.7903 45.7384 0.0000 173.3885 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 5 T 8.17 4.35 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 6 N 7.80 4.84 0.00 2.76 2.83 0.00 0.00 7.10 6.75 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 7 S 8.74 4.49 0.00 4.12 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 8 D 8.54 4.83 0.00 2.78 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 9 F 7.76 5.25 0.00 2.95 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 10 V 8.88 4.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.87 0.00 0.00 11 V 8.55 4.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.14 0.00 0.00 12 I 8.97 4.92 1.86 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 1.07 0.49 0.90 0.00 0.00 13 K 9.08 5.04 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.82 4.38 1.31 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 15 L 8.91 4.74 0.00 1.66 1.71 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.65 0.00 2.03 1.89 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 2.19 2.33 0.00 17 D 8.33 4.49 0.00 2.69 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 18 G 8.43 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.54 3.86 2.08 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 0.89 0.00 0.00 0.99 0.00 0.00 20 N 9.00 5.33 0.00 2.64 2.59 0.00 0.00 6.38 7.22 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 21 V 8.68 4.47 2.03 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 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.76 4.54 1.39 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.31 -0.35 0.00 0.00 23 G 8.91 4.02 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 0.00 0.00 0.00 24 L 8.78 5.44 0.00 1.90 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.82 4.42 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 1.34 0.00 0.00 26 R 7.84 4.31 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.74 3.73 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 0.00 0.00 0.00 28 A 8.58 4.16 1.29 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 0.00 0.00 29 D 7.27 4.90 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.69 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 1.28 0.00 0.00 31 R 9.16 4.69 0.00 1.80 2.00 0.00 2.78 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 F 8.61 5.58 0.00 2.89 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 33 H 8.86 4.96 0.00 3.13 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.49 4.64 0.00 3.29 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.19 4.80 0.00 3.72 3.58 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 0.00 0.00 0.00 36 E 9.02 4.33 0.00 2.17 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 2.27 2.33 0.00 37 K 8.60 4.74 0.00 1.64 1.72 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.50 7.81 38 L 9.07 4.95 0.00 1.50 1.53 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.46 4.97 0.00 2.65 2.57 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 40 K 9.04 4.00 0.00 1.64 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 8.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.22 0.00 2.10 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 2.33 2.26 0.00 43 V 8.29 4.99 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.16 4.75 0.00 1.71 1.44 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.02 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.67 0.00 0.00 46 A 9.01 4.74 1.11 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 0.00 0.00 47 Q 8.61 4.79 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.37 4.83 0.00 3.03 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 49 T 8.79 4.68 4.30 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 1.29 0.00 0.00 50 E 8.99 4.00 0.00 1.93 2.01 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 2.04 2.28 0.00 51 H 8.18 4.53 0.00 3.23 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.15 5.09 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 1.32 0.00 0.00 53 S 8.84 5.01 0.00 3.78 4.08 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 0.00 0.00 0.00 0.00 54 A 7.86 5.08 1.31 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 55 I 8.52 4.95 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.83 0.00 0.00 56 K 8.92 4.59 0.00 1.79 1.49 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.38 4.80 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.12 4.58 0.00 1.74 1.77 0.00 3.13 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 59 G 8.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.30 4.49 0.00 1.84 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.10 1.25 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 0.00 0.00 0.00 62 Y 9.03 5.00 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.47 4.84 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.82 0.00 0.00 64 Q 8.81 5.02 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 65 T 8.62 4.88 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 R 8.49 3.78 0.00 1.59 1.71 0.00 3.14 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 H 8.57 4.69 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.66 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 0.00 0.00 0.00 69 V 7.69 4.81 1.92 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 0.69 0.00 0.00 0.99 0.00 0.00 70 I 7.88 4.39 1.83 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 1.22 0.78 0.85 0.00 0.00 71 E 8.65 5.29 0.00 1.90 1.86 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 2.52 2.48 0.00 72 S 8.81 4.57 0.00 3.98 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 73 E 8.53 4.86 0.00 1.82 1.85 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 2.21 2.30 0.00 74 G 8.75 3.73 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 0.00 0.00 0.00