NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1178 8.1849 120.7553 54.3103 43.0223 175.6532 5 F 5.3119 8.4072 110.0172 57.6052 38.9875 173.4629 6 S 4.5520 8.3765 115.5773 59.7206 66.5130 175.3863 7 S 4.7355 7.7658 114.1957 55.7463 61.5379 172.0035 8 P 4.5558 0.0000 0.0000 62.6854 32.5395 176.9533 9 D 4.4585 9.1612 122.2140 56.4837 41.3054 176.4073 10 H 5.0441 7.8966 114.6993 54.0852 32.0879 173.7420 11 T 4.7836 8.5310 118.2490 61.8460 71.0837 173.5530 12 L 4.3764 8.8590 131.1620 53.5017 43.1243 174.8248 13 D 4.7919 8.6184 127.0998 53.2344 42.1672 175.6769 14 A 4.7277 9.1875 129.1494 51.5162 19.8702 175.0787 15 L 4.2743 7.9729 121.1368 57.8209 42.4774 177.8730 16 G 4.0279 9.7228 113.8890 45.5885 0.0000 173.8950 17 L 4.2772 7.4113 119.3592 54.3563 42.5153 176.5271 18 R 4.6517 8.1506 121.1785 54.0153 33.0256 174.6424 19 C 3.7914 8.9616 121.4583 59.2557 31.9611 171.9224 20 P 4.7012 0.0000 0.0000 62.9304 31.6650 177.2996 21 E 3.9395 8.3660 121.3882 59.2771 29.1636 177.2799 22 P 4.1471 0.0000 0.0000 65.7535 31.4468 178.7959 23 V 3.4028 7.7060 116.2576 66.0289 31.3129 177.9050 24 M 3.9986 7.7305 118.6578 58.6022 31.9024 178.5142 25 M 3.9745 8.0730 118.8603 58.4078 32.1616 179.0280 26 V 3.3684 7.9001 118.6680 65.7498 31.3688 177.7241 27 R 3.9091 7.8756 118.6399 59.6558 29.6102 178.4061 28 K 3.8763 7.9705 119.0638 59.6903 31.9224 178.9732 29 T 3.8418 7.4940 115.3720 66.5920 68.4614 176.6816 30 V 3.7224 7.5636 118.9179 65.6969 31.6573 178.1342 31 R 4.1597 7.5954 117.8548 59.1351 29.6828 177.7936 32 N 4.9255 7.5150 113.2075 52.7976 38.9960 174.6609 33 M 4.7500 7.0013 119.6796 53.3230 35.1567 175.3816 34 Q 4.3222 8.2871 119.3030 54.1322 30.1763 172.7476 35 P 4.2181 0.0000 0.0000 67.1283 31.0860 175.5109 36 G 4.2591 8.7545 113.4658 45.4274 0.0000 172.0378 37 E 4.8936 7.9894 118.1411 54.4727 32.0418 175.5124 38 T 4.8560 8.4431 112.2666 61.2481 71.5268 174.1376 39 L 4.6532 8.5397 125.7657 54.0633 45.2321 174.3687 40 L 4.4751 9.1172 131.0586 54.5988 43.4170 175.3826 41 I 4.7358 8.7817 128.7086 60.0592 39.2294 174.9688 42 I 4.5612 8.7198 128.9656 59.8394 38.5773 174.7132 43 A 5.1879 8.7945 128.8117 49.8751 22.8183 175.6549 44 D 4.5554 8.6731 116.2558 52.7079 40.5440 175.1725 45 D 4.6737 8.1825 120.7114 53.2787 41.4049 175.1774 46 P 4.3694 0.0000 0.0000 64.7594 31.3368 178.2189 47 A 4.1425 8.2313 119.1432 54.4405 18.4656 179.0548 48 T 3.8259 7.9855 108.6282 64.1392 68.6179 176.7780 49 T 4.1549 7.5509 113.9367 63.8350 69.0919 175.9895 50 R 4.3012 7.7491 119.8328 58.3004 30.9342 178.1536 51 D 4.4617 8.1514 118.5198 56.9678 41.0650 178.8963 52 I 3.7331 7.4414 120.0380 63.5549 37.0484 176.6369 53 P 4.4721 0.0000 0.0000 65.3222 31.1751 178.7942 54 G 3.8226 8.1781 104.6615 47.7608 0.0000 175.2579 55 F 4.2004 8.5263 122.9478 61.6063 39.3786 176.8897 56 C 4.1931 8.3490 115.7492 63.1801 27.7050 176.6615 57 T 3.7107 7.8633 116.3991 66.5966 68.2555 176.5761 58 F 4.3954 8.3796 117.5634 58.9195 39.3065 176.9789 59 M 4.2027 8.0659 116.5204 53.4824 33.5432 175.3194 60 E 3.5610 7.8218 117.6178 57.8147 26.2794 171.6274 61 H 5.0196 8.4548 118.0731 54.5662 33.8469 175.6444 62 E 4.4243 9.2798 117.9681 55.0225 30.2679 173.3608 63 L 3.9351 8.4346 128.6250 54.9098 41.8275 176.2072 64 V 3.9944 8.9274 128.6815 63.3605 30.9665 175.2207 65 A 4.9591 8.1156 119.7510 50.0817 23.1203 174.7039 66 K 5.1710 8.6056 118.2912 54.8957 35.5418 175.2661 67 E 4.8720 8.2508 121.3849 55.8090 32.8420 175.6452 68 T 4.6929 8.6354 113.0922 61.8062 72.1148 173.7726 69 D 4.7485 8.2110 120.8791 52.5552 39.8509 176.1929 70 G 4.0230 7.3326 106.8075 45.6184 0.0000 173.0424 71 L 4.0879 8.1206 121.5828 52.5075 43.0762 175.0952 72 P 4.2467 0.0000 0.0000 62.3766 32.2218 176.0016 73 Y 4.3435 7.9138 120.4493 58.2101 39.2074 175.0704 74 R 4.7927 7.9663 121.2935 54.5691 34.0014 174.4958 75 Y 4.9096 8.4656 119.5560 56.3237 41.8525 173.9545 76 L 4.8546 9.0411 127.7610 53.9327 43.9213 175.4362 77 I 5.3403 8.7497 128.4866 60.2821 41.7146 175.2583 78 R 5.8883 8.9930 126.5737 54.5227 33.7769 176.5391 79 K 4.3983 8.7507 125.3873 54.8183 31.4995 174.9428 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 4 L 8.18 4.12 0.00 1.68 1.58 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.41 5.31 0.00 3.06 2.90 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 6 S 8.38 4.55 0.00 3.96 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 7 S 7.77 4.74 0.00 3.84 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 8 P 0.00 4.56 0.00 2.43 2.07 0.00 4.01 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 1.99 0.00 9 D 9.16 4.46 0.00 2.78 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 10 H 7.90 5.04 0.00 3.24 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.53 4.78 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 1.19 0.00 0.00 12 L 8.86 4.38 0.00 1.72 1.53 0.89 0.98 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 13 D 8.62 4.79 0.00 2.72 2.55 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 0.00 0.00 0.00 0.00 14 A 9.19 4.73 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 15 L 7.97 4.27 0.00 1.72 1.63 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.72 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.41 4.28 0.00 1.85 1.60 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.15 4.65 0.00 1.76 1.78 0.00 3.44 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 19 C 8.96 3.79 0.00 3.01 2.86 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 20 P 0.00 4.70 0.00 2.24 2.23 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 21 E 8.37 3.94 0.00 2.22 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 2.34 0.00 22 P 0.00 4.15 0.00 2.08 2.03 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 23 V 7.71 3.40 2.04 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 1.16 0.00 0.00 0.87 0.00 0.00 24 M 7.73 4.00 0.00 2.03 2.23 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 2.74 2.56 0.00 25 M 8.07 3.97 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.83 0.00 26 V 7.90 3.37 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 0.13 0.00 0.00 0.70 0.00 0.00 27 R 7.88 3.91 0.00 2.23 2.01 0.00 3.41 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 28 K 7.97 3.88 0.00 1.99 1.76 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 T 7.49 3.84 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 1.14 0.00 0.00 30 V 7.56 3.72 2.22 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 0.78 0.00 0.00 1.08 0.00 0.00 31 R 7.60 4.16 0.00 2.20 1.97 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 32 N 7.51 4.93 0.00 2.66 2.81 0.00 0.00 6.93 7.39 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 33 M 7.00 4.75 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 34 Q 8.29 4.32 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 35 P 0.00 4.22 0.00 2.08 2.13 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 36 G 8.75 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 0.00 0.00 0.00 0.00 37 E 7.99 4.89 0.00 2.25 1.94 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 2.28 2.45 0.00 38 T 8.44 4.86 4.29 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 1.26 0.00 0.00 39 L 8.54 4.65 0.00 1.79 1.55 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.12 4.48 0.00 1.74 1.50 0.55 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.78 4.74 2.09 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.93 0.00 0.00 42 I 8.72 4.56 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.96 0.95 0.00 0.00 43 A 8.79 5.19 1.36 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 0.00 0.00 0.00 44 D 8.67 4.56 0.00 2.67 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 45 D 8.18 4.67 0.00 3.10 2.66 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 0.00 0.00 0.00 0.00 46 P 0.00 4.37 0.00 2.24 2.20 0.00 4.00 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 47 A 8.23 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 3.83 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 1.23 0.00 0.00 49 T 7.55 4.15 4.19 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 0.83 0.00 0.00 50 R 7.75 4.30 0.00 1.86 2.01 0.00 3.12 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 51 D 8.15 4.46 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 52 I 7.44 3.73 1.19 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 1.16 0.79 0.54 0.00 0.00 53 P 0.00 4.47 0.00 2.20 2.15 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 54 G 8.18 3.82 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 0.00 0.00 0.00 55 F 8.53 4.20 0.00 3.23 3.28 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 0.00 56 C 8.35 4.19 0.00 3.26 3.18 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 57 T 7.86 3.71 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 58 F 8.38 4.40 0.00 3.04 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 59 M 8.07 4.20 0.00 1.38 1.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.47 0.00 60 E 7.82 3.56 0.00 1.95 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 2.12 2.20 0.00 61 H 8.45 5.02 0.00 2.96 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.28 4.42 0.00 1.60 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 2.17 2.11 0.00 63 L 8.43 3.94 0.00 1.71 1.71 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.93 3.99 2.37 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 0.84 0.00 0.00 1.07 0.00 0.00 65 A 8.12 4.96 1.15 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 66 K 8.61 5.17 0.00 1.62 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.55 7.81 67 E 8.25 4.87 0.00 2.13 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 2.25 2.31 0.00 68 T 8.64 4.69 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 1.16 0.00 0.00 69 D 8.21 4.75 0.00 2.83 2.84 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 70 G 7.33 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 71 L 8.12 4.09 0.00 1.45 1.30 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.25 0.00 1.85 1.89 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 73 Y 7.91 4.34 0.00 2.94 2.71 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 74 R 7.97 4.79 0.00 1.61 0.93 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.44 0.00 75 Y 8.47 4.91 0.00 2.85 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 76 L 9.04 4.85 0.00 2.18 1.74 1.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.75 5.34 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.05 1.08 0.00 0.00 78 R 8.99 5.89 0.00 1.43 1.72 0.00 3.25 0.00 0.00 3.30 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.00 79 K 8.75 4.40 0.00 1.54 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81