NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3322 8.2644 123.5830 51.8598 19.5209 175.9451 3 K 4.3289 8.4102 123.5949 54.2165 35.0615 173.1633 4 H 4.3960 10.4151 127.4870 55.8641 31.6597 173.5148 5 P 3.7986 0.0000 0.0000 62.0440 27.7794 175.4778 6 V 3.8777 8.0374 116.4659 60.2149 32.3377 175.0468 7 P 4.3796 0.0000 0.0000 65.8620 32.5146 179.7462 8 K 3.6645 8.7416 116.3257 56.1844 31.1528 177.8809 9 K 4.0351 9.2505 119.7314 57.6848 33.5046 176.7040 10 K 4.7308 8.3082 120.1855 55.1015 35.5398 176.7726 11 T 4.7789 7.7966 106.9916 60.8375 69.6368 173.6597 12 S 4.8024 7.5389 132.1000 58.0630 61.8205 178.5516 13 K 4.1024 8.6009 121.0343 56.9829 31.6663 172.5026 14 S 4.0079 8.1398 113.0074 59.3223 61.2619 173.7405 15 K 4.2136 7.3294 122.5370 57.1877 34.4267 177.9061 16 R 3.9277 8.7470 120.5467 57.4880 28.7431 176.0960 17 D 4.7600 7.6916 112.4191 56.2004 43.5216 176.8195 18 M 4.6748 7.7239 117.8767 54.4144 30.2778 176.9984 19 R 4.6273 7.4890 111.9704 56.1713 34.8671 176.0966 20 R 4.6630 7.1561 116.5779 53.4091 29.5023 173.4796 21 S 4.5687 7.5591 113.2003 59.2602 68.7223 174.9292 22 H 4.5802 8.3642 117.8534 56.2633 28.9690 173.9237 23 H 4.7703 7.5472 116.6281 53.7068 37.4399 174.2820 24 A 3.6914 7.4813 123.2046 51.0729 18.5241 176.7284 25 L 4.3049 7.0990 110.7006 53.6946 45.2710 175.4347 26 T 3.8727 8.6993 121.4473 64.1045 68.6516 170.2251 27 A 3.8843 7.5961 132.5405 50.9395 20.5156 174.1883 28 P 4.7422 0.0000 0.0000 61.7091 31.0453 175.9983 29 N 4.0547 9.1859 111.6807 53.6212 35.5370 171.1119 30 L 4.5302 7.7396 117.4944 54.8244 44.6831 176.9982 31 T 4.6856 7.4748 113.9829 62.1563 72.2924 174.5061 32 E 4.5945 7.7724 119.3645 55.4941 30.2524 172.6774 33 C 4.0769 7.9450 121.6387 58.1554 28.6308 172.0829 34 P 4.4195 0.0000 0.0000 65.5086 30.5792 176.7213 35 Q 4.4408 7.1626 112.7923 57.1658 31.8771 175.5652 36 C 4.3615 8.0032 119.0267 61.0656 31.0355 175.6979 37 H 3.6452 9.0261 123.1238 56.3324 29.6111 177.8330 38 G 5.0190 5.3800 118.8108 45.4724 0.0000 171.6539 39 K 4.3581 8.1362 124.5661 54.5124 33.5449 177.6569 40 K 4.2817 9.4395 130.1007 55.8055 33.2252 176.2232 41 L 3.4950 7.5975 116.4887 54.6408 40.6059 174.4638 42 S 4.3368 8.3717 111.1142 58.9072 60.6137 173.7222 43 H 4.1047 8.7601 125.9872 56.0632 25.6827 175.2573 44 H 4.7176 9.0513 119.0144 55.5251 32.4318 172.1814 45 I 3.5189 8.6386 126.5618 61.0788 39.3748 174.3333 46 C 3.2314 7.7033 113.7239 57.8061 29.3986 172.5210 47 P 4.4912 0.0000 0.0000 62.9396 30.8092 173.9207 48 N 4.3985 8.5795 118.1843 54.7881 36.9859 176.2699 49 C 3.8611 9.1246 126.1842 60.6617 29.4056 173.4027 50 G 3.9378 7.4694 107.3299 44.5756 0.0000 173.0910 51 Y 4.9435 7.1149 113.1693 55.8892 40.6442 174.2070 52 Y 4.4856 8.7015 119.7976 59.0305 38.8770 175.0664 53 D 4.3686 7.0933 122.7465 54.2521 44.5375 175.8125 54 G 3.7598 7.2329 106.0350 44.1454 0.0000 171.9913 55 R 3.4768 6.8237 117.9517 54.4917 30.3544 175.0879 56 Q 4.4787 9.0851 125.5149 56.1945 31.9292 173.6792 57 V 3.3463 8.2791 119.1168 65.6685 31.5303 171.2673 58 L 4.2589 8.3448 113.5323 54.3605 44.6795 174.8418 59 A 4.1603 9.0668 127.6661 52.8588 18.1406 177.0580 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 2 A 8.26 4.33 1.28 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 0.00 0.00 3 K 8.41 4.33 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 4 H 10.42 4.40 0.00 3.11 3.21 0.00 5.99 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 5 P 0.00 3.80 0.00 2.01 2.12 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 6 V 8.04 3.88 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 0.72 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.38 0.00 2.17 2.19 0.00 3.91 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 1.99 2.00 0.00 8 K 8.74 3.66 0.00 1.88 1.48 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 K 9.25 4.04 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 10 K 8.31 4.73 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.55 7.81 11 T 7.80 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 1.21 0.00 0.00 12 S 7.54 4.80 0.00 3.85 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 13 K 8.60 4.10 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 S 8.14 4.01 0.00 4.08 3.92 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 0.00 0.00 0.00 15 K 7.33 4.21 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.36 7.81 16 R 8.75 3.93 0.00 2.02 2.00 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 D 7.69 4.76 0.00 2.77 2.62 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 18 M 7.72 4.67 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 19 R 7.49 4.63 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 R 7.16 4.66 0.00 1.78 1.81 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 21 S 7.56 4.57 0.00 3.81 3.80 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 0.00 0.00 0.00 22 H 8.36 4.58 0.00 3.18 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.55 4.77 0.00 3.08 3.15 0.00 6.13 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 24 A 7.48 3.69 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 L 7.10 4.30 0.00 1.55 1.42 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 3.87 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 1.20 0.00 0.00 27 A 7.60 3.88 1.35 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 0.00 0.00 0.00 28 P 0.00 4.74 0.00 2.13 1.17 0.00 3.90 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 1.86 1.89 0.00 29 N 9.19 4.05 0.00 2.86 2.87 0.00 0.00 6.69 7.78 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 30 L 7.74 4.53 0.00 1.65 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.47 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 1.23 0.00 0.00 32 E 7.77 4.59 0.00 2.00 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 2.36 0.00 33 C 7.95 4.08 0.00 3.15 3.01 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 34 P 0.00 4.42 0.00 2.23 2.44 0.00 3.61 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 2.29 2.23 0.00 35 Q 7.16 4.44 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 C 8.00 4.36 0.00 2.83 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 37 H 9.03 3.65 0.00 3.13 2.67 0.00 6.07 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 38 G 5.38 5.02 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 39 K 8.14 4.36 0.00 1.66 1.52 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 9.44 4.28 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 L 7.60 3.49 0.00 1.86 1.73 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.34 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 43 H 8.76 4.10 0.00 3.34 3.37 0.00 5.76 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.05 4.72 0.00 3.03 3.17 0.00 5.79 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 45 I 8.64 3.52 1.83 0.00 0.00 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 1.58 0.74 0.98 0.00 0.00 46 C 7.70 3.23 0.00 2.95 2.40 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 47 P 0.00 4.49 0.00 2.10 2.37 0.00 3.73 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 1.84 1.91 0.00 48 N 8.58 4.40 0.00 2.67 2.42 0.00 0.00 7.14 7.66 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 49 C 9.12 3.86 0.00 2.45 1.68 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 0.00 0.00 0.00 0.00 50 G 7.47 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 51 Y 7.11 4.94 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.49 0.00 3.09 3.14 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 0.00 53 D 7.09 4.37 0.00 1.81 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 0.00 0.00 0.00 54 G 7.23 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.82 3.48 0.00 1.77 1.77 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 56 Q 9.09 4.48 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 V 8.28 3.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.03 0.00 0.00 58 L 8.34 4.26 0.00 1.60 1.48 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.07 4.16 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