NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8288 8.4293 120.4306 56.2213 31.0954 170.9276 2 F 4.7019 7.4963 114.0844 55.1514 41.0697 170.8734 3 A 4.2278 8.7231 123.7991 50.6937 22.9111 176.3349 4 A 4.1858 8.4658 119.4397 52.9172 17.2790 177.6578 5 D 4.9924 8.8237 121.8071 53.7663 43.4362 176.1309 6 C 5.2068 8.4861 116.1234 55.9377 44.5937 174.3876 7 C 4.7119 8.7771 119.0227 56.4622 40.9677 173.8307 8 T 3.9925 8.0048 117.2558 62.3003 67.9342 174.4959 9 S 4.1839 7.0099 111.3235 58.0867 64.8804 175.2120 10 Y 4.7618 8.0425 120.7400 56.5350 39.0404 175.1774 11 I 3.8960 8.1463 116.1329 61.6309 37.8259 176.1012 12 S 4.6280 8.4458 113.5935 58.2409 63.4814 173.1697 13 Q 4.4845 7.4357 117.9187 54.6354 31.3257 174.0704 14 S 4.1677 8.5264 111.8077 58.7249 63.1313 174.2776 15 I 3.7356 7.8851 123.0117 60.8035 38.2882 175.2233 16 P 4.5591 0.0000 0.0000 62.1503 30.2119 178.1311 17 C 4.2388 7.6221 117.6048 60.5490 40.8679 176.3111 18 S 4.3811 7.9231 112.8080 59.7287 61.9753 174.4275 19 L 4.7526 8.0327 118.1295 54.5268 44.1064 175.2601 20 M 4.7247 7.8524 119.4648 54.0407 33.1267 176.2513 21 K 4.4004 8.6831 122.4507 58.8026 34.3259 175.9108 22 S 4.8766 7.9053 113.9856 57.7857 66.1636 171.8460 23 Y 5.2686 7.8360 118.0410 55.6836 40.7214 174.2726 24 F 4.9584 8.3202 115.2584 55.3719 41.6761 173.0934 25 E 4.6844 8.8768 119.6321 55.7119 31.2159 176.6783 26 T 4.6113 8.2741 112.4616 61.6608 71.1886 173.5023 27 S 4.7334 7.9535 116.3437 57.4938 64.1425 175.3847 28 S 4.3841 8.5435 117.5525 59.7596 62.3484 174.6658 29 E 4.1014 8.0120 119.7716 59.5284 29.5522 177.6712 30 C 4.5551 7.9391 116.0101 56.4586 40.7287 174.5718 31 S 3.9820 8.5523 117.0679 60.1582 62.1909 174.4864 32 K 4.4584 7.5742 118.9979 55.3234 34.6799 174.5527 33 P 4.6119 0.0000 0.0000 62.4383 33.0697 175.1095 34 G 4.5840 6.8771 111.2522 45.2970 0.0000 171.4910 35 V 4.5670 7.9364 121.7064 59.5464 34.0445 174.4278 36 I 5.4361 6.8238 125.2930 58.8728 39.8012 174.6635 37 F 4.8672 9.0814 125.1513 56.6001 41.0932 174.4968 38 L 5.1785 8.9054 123.6727 53.7141 43.3674 175.9606 39 T 4.8134 8.6187 114.8284 60.4260 70.2320 176.2529 40 K 4.0234 8.1935 124.8889 59.4327 32.3818 178.1774 41 K 4.0526 7.9390 116.1331 57.4464 32.6313 176.5436 42 G 3.7880 9.2894 106.9907 45.1665 0.0000 171.1000 43 R 4.8360 8.3793 119.4419 55.5550 35.0778 173.9848 44 Q 5.2501 8.4852 117.4162 54.6783 31.5989 174.2977 45 V 4.5816 8.7377 121.2815 61.3908 35.2596 173.2136 46 C 5.3540 8.8041 123.0823 55.4906 42.2222 172.6138 47 A 5.2979 8.9754 124.1699 49.8941 22.9458 175.7908 48 K 3.3705 8.0301 119.1136 54.9710 32.9702 175.8061 49 P 4.4287 0.0000 0.0000 65.4067 31.4590 177.1581 50 S 4.7084 7.5552 114.1419 57.2003 64.0887 174.4543 51 G 3.6166 8.0369 108.5563 44.8464 0.0000 171.9360 52 P 4.2789 0.0000 0.0000 66.1781 30.7953 175.6349 53 G 4.0277 8.8330 113.4014 45.7610 0.0000 174.6211 54 V 3.5785 7.5872 118.7925 66.2450 31.4623 178.1382 55 Q 3.9585 7.9887 117.2676 58.7491 28.5901 177.9475 56 D 4.3126 7.8918 118.8844 57.2936 41.3797 178.8447 57 C 4.3261 8.2954 117.2075 60.3814 40.0350 176.0318 58 M 3.2691 7.7168 118.7877 57.4906 31.5547 178.5472 59 K 4.0593 7.8712 120.1419 59.5143 32.2378 179.1377 60 K 4.1653 7.8960 117.1163 58.8713 32.0469 178.6040 61 L 4.6051 7.6300 116.9255 54.5532 41.7866 176.4778 62 K 4.4439 7.6269 120.9604 53.5370 32.9117 173.9796 63 P 4.5235 0.0000 0.0000 63.2093 30.8985 176.7356 64 Y 4.3881 8.1517 129.1607 56.2669 39.1868 175.8125 65 S 4.6349 7.6788 113.4981 55.3499 61.4559 173.1267 66 I 3.8665 7.2459 124.3293 61.7119 37.6051 173.3502 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 1 H 8.43 4.83 0.00 3.16 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 7.50 4.70 0.00 3.24 2.97 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 0.00 0.00 0.00 3 A 8.72 4.23 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.47 4.19 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 5 D 8.82 4.99 0.00 2.75 2.80 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 6 C 8.49 5.21 0.00 2.84 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 7 C 8.78 4.71 0.00 2.97 2.74 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 8 T 8.00 3.99 4.20 0.00 0.00 0.00 0.00 0.00 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 9 S 7.01 4.18 0.00 3.87 3.66 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 10 Y 8.04 4.76 0.00 3.08 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 11 I 8.15 3.90 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.99 0.00 0.00 12 S 8.45 4.63 0.00 4.00 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 13 Q 7.44 4.48 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 14 S 8.53 4.17 0.00 3.94 3.89 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 0.00 0.00 0.00 15 I 7.89 3.74 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.13 0.00 0.00 16 P 0.00 4.56 0.00 2.17 2.17 0.00 3.49 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 1.99 1.94 0.00 17 C 7.62 4.24 0.00 2.92 3.10 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 0.00 0.00 0.00 0.00 18 S 7.92 4.38 0.00 3.83 3.89 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 0.00 0.00 0.00 19 L 8.03 4.75 0.00 1.72 1.59 0.92 0.76 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 20 M 7.85 4.72 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 21 K 8.68 4.40 0.00 1.81 1.97 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.42 7.81 22 S 7.91 4.88 0.00 3.91 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 23 Y 7.84 5.27 0.00 2.05 2.70 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 0.00 0.00 0.00 24 F 8.32 4.96 0.00 3.03 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 25 E 8.88 4.68 0.00 2.03 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 0.00 2.35 2.37 0.00 26 T 8.27 4.61 4.54 0.00 0.00 0.00 0.00 0.00 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 27 S 7.95 4.73 0.00 4.02 3.83 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 28 S 8.54 4.38 0.00 3.85 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 29 E 8.01 4.10 0.00 1.98 1.98 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 2.30 2.28 0.00 30 C 7.94 4.56 0.00 3.26 3.17 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 0.00 31 S 8.55 3.98 0.00 3.84 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 32 K 7.57 4.46 0.00 1.91 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 33 P 0.00 4.61 0.00 2.25 2.19 0.00 3.96 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 34 G 6.88 4.58 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 0.00 0.00 0.00 35 V 7.94 4.57 1.95 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 0.69 0.00 0.00 0.46 0.00 0.00 36 I 6.82 5.44 0.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 1.16 0.00 0.00 37 F 9.08 4.87 0.00 3.03 3.07 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 38 L 8.91 5.18 0.00 1.69 1.66 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.62 4.81 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 40 K 8.19 4.02 0.00 1.71 1.90 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.43 7.81 41 K 7.94 4.05 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 G 9.29 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 4.84 0.00 1.93 1.79 0.00 3.14 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 44 Q 8.49 5.25 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 45 V 8.74 4.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 46 C 8.80 5.35 0.00 2.92 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 47 A 8.98 5.30 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 48 K 8.03 3.37 0.00 1.27 1.47 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.04 0.28 7.81 49 P 0.00 4.43 0.00 2.15 2.16 0.00 3.47 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 50 S 7.56 4.71 0.00 3.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.04 3.62 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 0.00 0.00 0.00 52 P 0.00 4.28 0.00 2.15 2.09 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 53 G 8.83 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 54 V 7.59 3.58 2.18 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 1.33 0.00 0.00 0.90 0.00 0.00 55 Q 7.99 3.96 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 56 D 7.89 4.31 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.30 4.33 0.00 3.32 3.11 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 58 M 7.72 3.27 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 1.44 0.00 59 K 7.87 4.06 0.00 2.07 1.83 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 60 K 7.90 4.17 0.00 1.98 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.63 7.81 61 L 7.63 4.61 0.00 2.14 2.19 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.63 4.44 0.00 1.96 1.96 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.49 7.81 63 P 0.00 4.52 0.00 2.22 2.12 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 64 Y 8.15 4.39 0.00 3.01 2.92 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 65 S 7.68 4.63 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 3.87 1.83 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 1.23 0.67 0.77 0.00 0.00