NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2318 0.0000 0.0000 63.3790 32.2861 173.6287 17 S 3.8300 8.8572 115.9618 57.3301 63.4850 170.2029 18 R 4.4310 8.2482 125.4015 55.3960 32.8742 171.6374 19 K 4.7348 8.3033 117.7706 55.3098 33.9948 176.2073 20 A 4.0894 8.4000 120.1968 51.6922 18.9600 177.3970 21 K 4.0732 8.4503 120.8881 56.5035 31.9616 176.5400 22 V 4.7098 7.8409 125.6920 61.0472 35.9687 171.2106 23 K 4.7227 9.3801 132.0356 57.3971 38.5177 177.3602 24 A 4.5877 8.9333 113.6970 51.1198 19.5542 176.7098 25 T 3.8298 7.2318 118.3366 65.6964 69.5241 178.2133 26 L 4.2955 7.8229 126.2583 55.6621 42.9728 177.6781 27 G 3.2324 7.6377 102.7375 46.3826 0.0000 175.1578 28 E 3.5531 7.6416 120.0820 58.5611 29.9106 177.5336 29 F 4.6188 5.9335 113.3369 57.8078 39.8756 173.6694 30 D 4.5808 8.3402 114.9108 54.3571 43.5847 177.5431 31 L 4.4141 8.6872 127.2218 54.3793 41.3823 177.0414 32 R 4.8035 7.8498 118.2420 57.5309 37.0244 174.7577 33 D 4.5747 8.5304 118.0164 54.6390 41.5674 175.1425 34 Y 4.2641 8.7126 123.5875 59.4272 39.1837 176.7487 35 R 4.0881 8.3198 119.0272 58.9269 30.4767 175.9518 36 N 5.1242 7.5566 113.2057 51.9608 39.2470 174.9788 37 V 3.6183 7.5998 117.0149 63.4335 32.1619 173.2897 38 E 4.6588 7.8038 124.7426 55.6616 35.2782 176.8452 39 V 4.0052 7.7871 119.0807 65.2303 31.2458 178.3466 40 L 4.0770 7.8327 117.6429 56.5370 41.7754 177.4463 41 K 4.3078 8.2748 118.4033 58.5200 33.2507 177.3823 42 R 3.8032 7.9652 117.9501 59.8930 30.0833 177.1903 43 F 4.1667 8.1022 116.7329 58.5982 39.4067 175.8629 44 L 4.2817 7.2058 121.9115 53.9028 42.5722 176.4387 45 S 4.2735 8.2950 116.2532 58.6210 63.3310 174.5115 46 E 4.3577 8.5914 120.5017 57.0628 29.2088 175.8834 47 T 4.7128 7.3321 115.5075 61.8108 72.3225 173.7987 48 G 3.7117 8.7341 110.1954 46.4373 0.0000 174.4150 49 K 3.6549 7.9866 119.4214 56.5901 32.1941 176.3864 50 I 3.5802 8.3209 125.0562 61.2281 37.1546 175.7643 51 L 3.8217 8.6529 125.3250 54.8565 41.0112 175.0979 52 P 4.3807 0.0000 0.0000 63.6234 32.1297 176.1266 53 R 5.1266 7.5101 118.3001 58.4517 37.7400 176.7518 54 R 3.9122 8.0888 115.8478 58.4388 29.5070 177.8396 55 R 4.1092 8.7724 125.4919 58.9041 31.1501 178.8092 56 T 3.6685 7.5317 114.4656 64.9099 68.9053 175.0281 57 G 4.3153 8.0345 114.5465 45.8033 0.0000 175.0127 58 L 4.2657 7.1309 120.5464 53.8815 43.4121 178.4605 59 S 4.4353 8.3695 120.7497 58.6311 67.5771 177.8249 60 G 4.1515 8.4757 109.2347 46.0328 0.0000 175.6619 61 K 3.9159 7.8178 121.5156 59.4199 32.2764 177.7241 62 E 4.4078 8.0580 115.6760 56.4072 29.4811 176.6206 63 Q 4.4798 7.8623 121.3408 56.3299 31.2293 177.5433 64 R 3.8969 7.5249 115.5655 59.4006 30.3926 177.7904 65 I 4.0915 7.6006 116.8664 62.8404 38.2622 177.6710 66 L 3.8939 8.1257 121.5935 58.1923 41.5584 178.4117 67 A 3.9591 7.8893 120.4706 55.6072 18.2735 179.8301 68 K 4.0769 8.0808 116.2006 59.4323 31.9596 179.6730 69 T 3.9722 7.9298 115.1377 66.2869 68.6367 175.4656 70 I 4.2984 7.7769 120.6903 62.6494 38.0496 177.8507 71 K 3.9483 8.0625 120.5242 59.2641 31.8565 178.6964 72 R 3.9254 7.9223 118.0556 59.4095 29.7735 178.2913 73 A 4.1495 7.9482 119.1640 56.1528 18.4927 179.1125 74 R 4.7316 8.0889 117.1687 59.4173 29.8513 179.0699 75 I 3.7761 7.6467 121.4774 64.2402 37.6868 177.5020 76 L 4.4177 8.4186 118.8171 54.1513 41.4033 179.2463 77 G 4.0516 8.5866 108.3211 46.1568 0.0000 175.9757 78 L 3.9973 7.7634 120.8082 57.4963 42.5236 176.7970 79 L 4.9396 7.4300 116.9108 52.5365 47.1504 174.5468 80 P 5.0068 0.0000 0.0000 62.8248 29.8811 175.7299 81 F 4.8230 9.2165 113.7415 59.0960 41.1065 173.7844 82 T 4.6276 7.6017 111.1173 61.1096 70.8336 171.9897 83 E 4.7822 8.3977 122.8198 55.0591 31.2526 175.5613 84 K 4.7342 8.3285 119.0241 55.8009 35.7614 175.3276 85 L 4.4995 7.8783 120.6286 54.5557 44.2427 174.6592 86 V 4.3837 7.7085 115.1677 62.6535 34.4779 176.4466 87 R 3.8279 9.0545 122.1260 55.5343 27.8926 176.3691 88 K 4.1235 7.5972 123.9650 56.9365 33.7134 174.5693 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 16 P 0.00 4.23 0.00 2.19 2.11 0.00 3.85 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 1.88 1.96 0.00 17 S 8.86 3.83 0.00 4.10 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 18 R 8.25 4.43 0.00 1.74 1.68 0.00 3.24 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 19 K 8.30 4.73 0.00 1.71 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 20 A 8.40 4.09 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 21 K 8.45 4.07 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 V 7.84 4.71 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 1.13 0.00 0.00 1.02 0.00 0.00 23 K 9.38 4.72 0.00 1.72 1.30 0.00 1.66 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.32 7.81 24 A 8.93 4.59 1.22 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 0.00 0.00 0.00 25 T 7.23 3.83 4.39 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 0.00 0.00 0.00 1.27 0.00 0.00 26 L 7.82 4.30 0.00 1.90 1.82 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.64 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 28 E 7.64 3.55 0.00 1.88 1.97 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 2.27 2.26 0.00 29 F 5.93 4.62 0.00 3.05 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 30 D 8.34 4.58 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.69 4.41 0.00 1.70 1.68 0.98 0.74 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 32 R 7.85 4.80 0.00 1.76 2.18 0.00 3.35 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 33 D 8.53 4.57 0.00 2.86 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 34 Y 8.71 4.26 0.00 2.93 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.32 4.09 0.00 1.82 2.03 0.00 3.38 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 36 N 7.56 5.12 0.00 2.67 2.76 0.00 0.00 6.96 7.56 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 37 V 7.60 3.62 1.99 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 0.61 0.00 0.00 0.62 0.00 0.00 38 E 7.80 4.66 0.00 2.01 1.70 0.00 0.00 0.00 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 2.36 0.00 39 V 7.79 4.01 1.32 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 0.47 0.00 0.00 0.59 0.00 0.00 40 L 7.83 4.08 0.00 1.50 1.66 0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.27 4.31 0.00 1.70 1.86 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 R 7.97 3.80 0.00 1.99 1.77 0.00 2.21 0.00 0.00 2.39 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 43 F 8.10 4.17 0.00 2.98 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 44 L 7.21 4.28 0.00 1.66 1.70 0.91 0.90 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 45 S 8.30 4.27 0.00 4.02 3.96 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 46 E 8.59 4.36 0.00 1.96 1.99 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 2.27 2.29 0.00 47 T 7.33 4.71 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 1.20 0.00 0.00 48 G 8.73 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 49 K 7.99 3.65 0.00 1.72 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.32 3.58 1.83 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 1.36 0.38 0.88 0.00 0.00 51 L 8.65 3.82 0.00 1.61 1.66 0.94 1.15 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 52 P 0.00 4.38 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 53 R 7.51 5.13 0.00 1.72 1.86 0.00 3.34 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 54 R 8.09 3.91 0.00 1.95 1.74 0.00 3.24 0.00 0.00 3.33 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 55 R 8.77 4.11 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 56 T 7.53 3.67 4.35 0.00 0.00 0.00 0.00 0.00 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 G 8.03 4.32 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 0.00 0.00 0.00 58 L 7.13 4.27 0.00 1.61 1.52 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.37 4.44 0.00 3.93 3.74 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 60 G 8.48 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 61 K 7.82 3.92 0.00 1.62 1.81 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 62 E 8.06 4.41 0.00 1.97 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 0.00 2.29 2.28 0.00 63 Q 7.86 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 R 7.52 3.90 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 65 I 7.60 4.09 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 1.30 0.87 0.92 0.00 0.00 66 L 8.13 3.89 0.00 1.91 1.76 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.89 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.08 4.08 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 69 T 7.93 3.97 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 I 7.78 4.30 1.88 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 1.37 0.91 0.90 0.00 0.00 71 K 8.06 3.95 0.00 2.07 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 72 R 7.92 3.93 0.00 1.94 1.94 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 73 A 7.95 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.09 4.73 0.00 2.17 2.01 0.00 3.20 0.00 0.00 3.45 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.59 0.00 75 I 7.65 3.78 1.89 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 1.67 0.50 0.92 0.00 0.00 76 L 8.42 4.42 0.00 1.70 1.66 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.59 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 78 L 7.76 4.00 0.00 1.71 1.92 1.18 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.43 4.94 0.00 1.86 1.51 0.94 0.89 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 80 P 0.00 5.01 0.00 2.26 1.27 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 81 F 9.22 4.82 0.00 2.86 3.08 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 82 T 7.60 4.63 4.17 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 1.30 0.00 0.00 83 E 8.40 4.78 0.00 2.08 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 0.00 2.24 2.30 0.00 84 K 8.33 4.73 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 85 L 7.88 4.50 0.00 1.52 1.52 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.71 4.38 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 0.96 0.00 0.00 0.93 0.00 0.00 87 R 9.05 3.83 0.00 2.01 2.04 0.00 3.57 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 7.60 4.12 0.00 1.87 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81