NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0909 8.3101 120.1321 55.8201 33.8115 173.1101 20 A 3.3266 8.1375 123.4353 51.8561 17.8063 175.7641 21 K 4.6580 8.3066 122.4941 54.2772 35.4006 176.2059 22 V 3.6209 8.3878 122.9048 65.0572 31.7902 177.8473 23 K 3.8819 7.6950 120.0965 59.1547 32.2770 177.4385 24 A 4.8836 7.3926 118.6790 52.1971 18.8940 176.5280 25 T 4.5726 8.0604 116.1012 62.7674 71.1126 174.4090 26 L 4.9765 7.7723 121.2903 52.1820 44.8879 175.3639 27 G 3.7261 9.2283 111.5395 47.9318 0.0000 173.1088 28 E 4.7623 8.7968 116.7287 53.9308 33.4999 174.1720 29 F 4.8826 7.7943 118.3113 55.5220 40.4668 173.2779 30 D 4.4298 8.7867 123.5829 54.3029 41.5692 175.8951 31 L 4.9184 8.3309 126.2952 55.7385 40.8720 176.5841 32 R 4.4193 8.5155 116.3218 56.6280 31.0772 174.4617 33 D 4.5309 7.9094 116.7698 53.6594 40.4462 174.6070 34 Y 4.5994 8.1565 124.4233 57.2422 38.1665 176.2558 35 R 4.3492 8.4845 121.0982 58.0319 32.5909 177.6769 36 N 4.6889 7.8503 116.8035 52.7574 33.3285 175.3748 37 V 3.5737 7.7551 122.1175 65.5104 31.9564 177.3436 38 E 3.7556 8.1858 116.5105 59.4261 29.5076 179.4137 39 V 3.6833 7.5124 117.5868 65.9751 31.7444 177.9548 40 L 3.8968 7.9676 118.8630 57.6060 41.4594 179.0754 41 K 3.8150 9.0478 120.7300 59.9766 31.7662 178.3204 42 R 3.9081 7.4545 116.8111 59.3988 29.9996 177.1848 43 F 4.3255 8.8766 115.0546 57.8076 38.8203 174.5141 44 L 5.0256 7.7721 120.8526 52.6093 44.5810 176.6991 45 S 4.4835 8.4238 116.6139 57.8581 64.2054 174.3874 46 E 4.5226 8.6034 117.4299 57.1354 28.7234 177.5621 47 T 5.1259 7.0889 117.2198 63.4380 70.1501 175.8977 48 G 4.1758 7.6876 106.4217 45.0584 0.0000 174.1669 49 K 4.2372 7.8328 119.1124 55.7640 32.7492 176.6125 50 I 4.2093 8.2493 123.1566 61.9135 37.8799 175.4594 51 L 4.4847 8.1789 126.0548 53.2716 42.2795 175.2555 52 P 4.2516 0.0000 0.0000 63.6737 31.8446 177.6895 53 R 3.8474 8.6941 123.5768 59.4856 31.4572 177.7320 54 R 3.5791 8.2650 109.0724 59.8747 29.8075 177.4240 55 R 4.0114 9.1451 122.3725 60.3015 31.6645 179.0868 56 T 3.5993 8.0023 107.8491 63.7717 68.9252 175.8174 57 G 4.1110 8.5540 109.8040 46.3767 0.0000 173.1060 58 L 4.7843 7.8117 121.7150 53.4800 43.9556 175.5113 59 S 4.6222 8.4626 115.3486 57.3651 64.5244 175.5398 60 A 4.0176 8.1884 123.0862 54.6089 18.0800 179.0994 61 K 3.7567 8.0299 116.3300 60.2738 31.7468 178.0346 62 E 3.9603 8.4034 117.5205 59.7588 29.1993 179.0123 63 Q 4.0085 8.3499 119.5652 58.7314 29.5698 179.6678 64 R 3.9135 8.9689 117.4540 58.3723 29.7492 181.0463 65 I 2.8405 6.0661 120.2771 60.9471 38.6763 176.5957 66 L 3.9261 7.9186 120.2864 59.3297 42.8229 178.8294 67 A 4.1420 9.0329 120.9491 55.8700 18.1012 179.5850 68 K 4.4087 7.8343 111.1465 57.3936 31.5178 177.9932 69 T 4.5082 8.0243 111.0610 61.8284 70.2326 175.2147 70 I 3.8545 8.0890 124.7621 62.4121 36.8993 178.7340 71 K 4.4029 7.5993 118.7084 59.6471 32.5507 178.5804 72 R 3.9039 7.5583 114.9844 59.2337 29.9823 178.5468 73 A 4.0498 8.1271 120.2651 55.7788 18.3615 179.7009 74 R 3.5918 7.4798 115.2324 59.5315 29.8137 179.4011 75 I 3.7708 7.8278 118.9231 64.2603 37.2493 176.8380 76 L 4.3286 7.9659 117.6568 54.0580 41.2110 176.5746 77 G 3.9386 7.4242 106.0740 46.5961 0.0000 174.9790 78 L 4.2801 8.1170 119.4100 55.1841 42.3063 176.4208 79 L 4.7353 7.2251 116.7825 52.5597 45.8302 173.2432 80 P 4.7114 0.0000 0.0000 61.8964 32.9317 175.3484 81 F 4.8191 8.2871 116.6347 59.1815 40.0958 175.6258 82 T 4.6070 7.0001 113.5422 64.3697 72.2227 170.3978 83 E 5.3849 8.3837 126.7807 56.0132 30.1505 177.1557 84 K 4.4444 8.1658 124.4904 56.0361 33.0205 175.5885 85 L 4.5869 8.0387 121.3988 53.4732 44.0312 175.1920 86 V 4.0549 8.2082 121.9365 62.0426 32.3376 173.7440 87 R 3.4912 8.5292 124.7348 56.3379 30.0226 175.9122 88 K 4.1314 8.5131 119.6046 56.5154 32.3345 175.4721 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 19 K 8.31 4.09 0.00 1.73 1.89 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 20 A 8.14 3.33 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 21 K 8.31 4.66 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.34 7.81 22 V 8.39 3.62 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 0.26 0.00 0.00 0.67 0.00 0.00 23 K 7.69 3.88 0.00 2.03 1.89 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.54 7.81 24 A 7.39 4.88 1.26 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 0.00 0.00 0.00 25 T 8.06 4.57 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 1.16 0.00 0.00 26 L 7.77 4.98 0.00 1.63 1.41 0.63 0.76 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 27 G 9.23 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 E 8.80 4.76 0.00 1.91 1.83 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 2.17 2.21 0.00 29 F 7.79 4.88 0.00 3.18 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 30 D 8.79 4.43 0.00 2.66 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 31 L 8.33 4.92 0.00 1.92 1.77 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.52 4.42 0.00 1.72 2.06 0.00 3.32 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 33 D 7.91 4.53 0.00 2.63 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 8.16 4.60 0.00 3.14 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 8.48 4.35 0.00 1.61 1.81 0.00 3.05 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 36 N 7.85 4.69 0.00 2.92 2.96 0.00 0.00 6.24 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 37 V 7.76 3.57 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 0.91 0.00 0.00 38 E 8.19 3.76 0.00 1.91 2.02 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 2.31 2.37 0.00 39 V 7.51 3.68 2.24 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 0.78 0.00 0.00 0.90 0.00 0.00 40 L 7.97 3.90 0.00 1.81 1.67 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.05 3.81 0.00 1.72 1.85 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 42 R 7.45 3.91 0.00 1.95 1.73 0.00 3.16 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 43 F 8.88 4.33 0.00 3.26 3.12 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 44 L 7.77 5.03 0.00 1.75 1.57 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.42 4.48 0.00 4.03 4.04 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 46 E 8.60 4.52 0.00 1.98 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 2.30 2.27 0.00 47 T 7.09 5.13 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 1.27 0.00 0.00 48 G 7.69 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 0.00 0.00 0.00 49 K 7.83 4.24 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.57 7.81 50 I 8.25 4.21 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.98 0.00 0.00 51 L 8.18 4.48 0.00 1.59 1.61 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.25 0.00 2.12 2.21 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 53 R 8.69 3.85 0.00 1.94 1.97 0.00 3.31 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 54 R 8.26 3.58 0.00 1.83 1.78 0.00 3.31 0.00 0.00 3.23 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 55 R 9.15 4.01 0.00 1.80 1.98 0.00 3.27 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 56 T 8.00 3.60 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 G 8.55 4.11 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 0.00 58 L 7.81 4.78 0.00 1.72 1.83 1.18 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.46 4.62 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.19 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.03 3.76 0.00 1.83 1.86 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 62 E 8.40 3.96 0.00 2.19 2.02 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 2.41 2.40 0.00 63 Q 8.35 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 64 R 8.97 3.91 0.00 2.22 1.72 0.00 3.20 0.00 0.00 3.18 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 65 I 6.07 2.84 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 1.41 1.38 0.91 0.00 0.00 66 L 7.92 3.93 0.00 1.70 1.88 0.58 1.04 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 67 A 9.03 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.41 0.00 1.82 1.85 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 69 T 8.02 4.51 4.28 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 1.30 0.00 0.00 70 I 8.09 3.85 2.08 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 1.62 0.91 0.95 0.00 0.00 71 K 7.60 4.40 0.00 1.84 1.92 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.79 7.81 72 R 7.56 3.90 0.00 2.04 1.80 0.00 2.96 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 73 A 8.13 4.05 1.41 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 0.00 0.00 74 R 7.48 3.59 0.00 2.11 1.06 0.00 3.21 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 75 I 7.83 3.77 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.95 0.00 0.00 76 L 7.97 4.33 0.00 1.76 1.70 0.91 0.91 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 77 G 7.42 3.94 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 0.00 0.00 0.00 78 L 8.12 4.28 0.00 1.81 1.72 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.23 4.74 0.00 1.45 1.49 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.71 0.00 2.38 2.02 0.00 3.72 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 1.92 1.97 0.00 81 F 8.29 4.82 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.00 4.61 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 1.24 0.00 0.00 83 E 8.38 5.38 0.00 2.26 2.23 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 2.24 2.07 0.00 84 K 8.17 4.44 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.38 7.81 85 L 8.04 4.59 0.00 1.57 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.21 4.05 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 0.93 0.00 0.00 87 R 8.53 3.49 0.00 2.06 1.94 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 88 K 8.51 4.13 0.00 1.70 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.39 7.81