NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4031 8.3344 115.2893 58.5338 64.0476 172.0101 6 S 4.3781 8.4498 111.0087 59.4426 63.3830 175.1525 7 K 4.0485 8.0904 122.1022 59.5957 32.4991 177.8915 8 M 4.0246 7.9821 118.5270 58.4748 32.2719 178.1603 9 S 4.2013 7.9727 113.9565 61.2504 63.4572 176.0106 10 D 4.4141 8.0725 122.6430 56.9048 40.5569 178.9982 11 V 3.5433 7.5749 119.7622 64.4972 31.1964 178.7452 12 K 3.8543 7.5818 117.9108 59.1491 32.1877 178.5666 13 C 4.2217 8.0160 118.9228 62.9525 31.4668 175.5830 14 T 3.9088 7.8059 117.4542 66.8479 67.9144 176.6183 15 S 4.1101 8.0564 116.0399 61.2696 62.9333 176.8192 16 V 3.6293 7.7675 121.8954 65.8940 31.2525 178.2527 17 V 3.6154 7.7317 117.5476 65.7395 31.4435 177.5150 18 L 3.9494 8.2723 120.5306 58.1455 41.9655 178.7325 19 L 4.0001 8.2553 120.5561 58.1679 41.9870 179.0829 20 S 4.1902 8.1309 115.1559 61.7188 62.8560 176.7467 21 V 3.6723 8.1722 121.2096 66.1289 31.3189 177.9968 22 L 4.1037 8.1330 118.6801 57.8344 41.4259 179.3471 23 Q 3.6737 8.3894 119.6317 59.0931 28.7954 177.8279 24 Q 4.0286 8.3222 119.9344 59.0592 29.0643 177.5097 25 L 4.3254 7.6684 117.0580 53.8863 42.0292 176.7509 26 R 3.7405 8.2776 117.8302 57.3453 28.1332 178.5625 27 V 3.6880 7.5469 118.3878 65.2130 31.9567 177.1424 28 E 3.4852 7.5025 119.3293 57.9944 29.3320 177.2408 29 S 4.2037 7.4563 111.8427 59.7141 63.3179 174.8933 30 S 4.5399 8.0124 116.5656 55.3629 62.8994 173.5900 31 S 4.2473 8.5528 123.5998 61.7828 62.4616 176.0315 32 K 3.8157 8.2982 121.5558 59.4715 31.7361 178.5926 33 L 3.9916 7.8615 119.2501 58.0382 42.1574 178.8418 34 W 4.2781 8.7373 128.4995 60.3765 30.6147 177.6264 35 A 3.8476 8.3892 121.0160 55.2845 17.7620 179.4113 36 Q 3.8477 7.7611 118.0058 59.4162 29.0379 178.1488 37 C 3.9423 8.0119 117.7806 62.7905 28.1669 176.3042 38 V 3.1946 7.2751 119.8890 65.8190 30.9411 177.8029 39 Q 3.8984 7.9640 119.2451 59.0627 28.8641 178.2070 40 L 3.9012 7.9954 120.1416 58.0863 41.6769 179.0277 41 H 4.0643 8.4004 118.4194 59.3554 29.7848 177.0705 42 N 4.2658 8.6541 118.6375 56.3925 38.1115 177.1925 43 D 4.3350 8.1043 119.6806 57.3057 40.7397 178.5298 44 I 3.7719 7.6853 120.4222 64.3817 36.8638 178.5251 45 L 4.0228 7.6994 118.7310 56.6131 41.4135 178.2375 46 L 4.5863 7.4958 117.5549 53.5664 43.2832 175.7763 47 A 4.6626 7.0520 121.1306 50.7230 20.4749 178.1851 48 K 4.3235 8.5119 119.8737 56.4944 34.2210 176.4684 49 D 4.7490 7.7752 118.8248 52.9939 42.4667 176.9234 50 T 3.9962 8.5721 124.0085 66.7929 68.6264 176.4595 51 T 4.1530 8.7642 118.4338 66.1177 68.5475 176.6324 52 E 3.9500 8.2066 120.8274 58.9572 29.6863 178.3667 53 A 3.8625 7.8755 120.6824 55.4393 18.4896 179.7110 54 F 4.0710 7.8747 116.1675 60.6473 38.4123 177.8339 55 E 4.0553 8.2541 117.9485 59.4045 29.2694 179.5675 56 K 4.0567 7.9670 118.1664 59.4479 32.1437 179.0150 57 M 4.0537 8.2115 118.8240 58.6615 32.0630 178.4570 58 V 3.6722 7.9072 118.3781 66.1237 31.4698 178.3055 59 S 4.1432 7.4740 112.8686 61.3094 63.0525 176.1132 60 L 4.0639 8.4161 123.4319 58.1712 41.8802 178.7633 61 L 4.0192 8.4766 120.8800 58.1437 41.9505 179.0456 62 S 4.1703 8.0220 113.6933 60.9349 62.6295 176.7888 63 V 3.5622 7.3947 121.5936 65.8202 31.6422 177.3815 64 L 4.1280 7.8632 119.6108 58.2676 41.8302 178.7868 65 L 4.0830 7.9675 118.0919 57.6600 41.5898 179.3887 66 S 4.3057 7.9687 113.4034 60.5860 64.4724 175.6529 67 M 4.3813 7.7205 124.5432 53.2105 28.4003 176.1910 68 Q 3.9662 8.0358 123.2894 59.1042 29.7047 180.3741 69 G 3.6686 8.2932 104.2894 48.0899 0.0000 173.7502 70 A 4.6004 7.9005 119.7036 51.7179 19.7672 177.3417 71 V 4.3740 7.4584 115.5398 61.2230 30.9440 176.9250 72 D 4.6298 7.6306 121.0018 52.8464 40.7544 175.5338 73 I 3.7352 7.9777 126.7564 63.9930 37.3750 177.3441 74 N 4.3045 8.1639 115.1464 55.1159 37.0187 175.7573 75 R 4.2474 7.5921 119.0397 57.6227 30.5367 177.0450 76 L 4.4523 8.4334 118.6848 56.2414 42.1111 177.5549 77 C 4.5138 7.8518 113.5826 59.8798 28.2582 173.0697 78 E 4.2398 7.7140 126.7432 56.2392 29.2962 175.3841 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 5 S 8.33 4.40 0.00 3.85 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 6 S 8.45 4.38 0.00 3.99 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 7 K 8.09 4.05 0.00 1.96 1.86 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.78 7.81 8 M 7.98 4.02 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 9 S 7.97 4.20 0.00 4.07 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 0.00 10 D 8.07 4.41 0.00 2.85 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 11 V 7.57 3.54 1.61 0.00 0.00 0.00 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 0.18 0.00 0.00 12 K 7.58 3.85 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.47 7.81 13 C 8.02 4.22 0.00 3.12 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 14 T 7.81 3.91 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 1.22 0.00 0.00 15 S 8.06 4.11 0.00 4.04 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 16 V 7.77 3.63 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 17 V 7.73 3.62 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 1.08 0.00 0.00 0.94 0.00 0.00 18 L 8.27 3.95 0.00 1.85 1.92 0.95 0.58 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 19 L 8.26 4.00 0.00 1.88 1.61 0.58 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.13 4.19 0.00 4.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 22 L 8.13 4.10 0.00 2.18 2.04 1.00 0.67 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 23 Q 8.39 3.67 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 24 Q 8.32 4.03 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 L 7.67 4.33 0.00 1.84 1.68 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.28 3.74 0.00 1.95 1.93 0.00 3.08 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 27 V 7.55 3.69 2.35 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 1.13 0.00 0.00 1.04 0.00 0.00 28 E 7.50 3.49 0.00 1.16 1.38 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 1.80 1.47 0.00 29 S 7.46 4.20 0.00 3.95 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 30 S 8.01 4.54 0.00 3.90 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 31 S 8.55 4.25 0.00 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 0.00 32 K 8.30 3.82 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.56 7.81 33 L 7.86 3.99 0.00 1.81 1.89 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.74 4.28 0.00 3.64 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 35 A 8.39 3.85 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 36 Q 7.76 3.85 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 37 C 8.01 3.94 0.00 2.63 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 38 V 7.28 3.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.01 0.00 0.00 39 Q 7.96 3.90 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 40 L 8.00 3.90 0.00 2.00 1.64 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.40 4.06 0.00 3.05 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.65 4.27 0.00 2.84 2.80 0.00 0.00 7.07 8.03 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 43 D 8.10 4.33 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.77 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.02 0.77 0.00 0.00 45 L 7.70 4.02 0.00 1.68 1.65 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.50 4.59 0.00 1.58 1.63 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.05 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.32 0.00 1.71 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.44 7.81 49 D 7.78 4.75 0.00 2.70 2.54 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 0.00 50 T 8.57 4.00 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 1.44 0.00 0.00 51 T 8.76 4.15 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 52 E 8.21 3.95 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 A 7.88 3.86 1.11 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 54 F 7.87 4.07 0.00 3.14 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.06 0.00 2.39 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 2.35 2.42 0.00 56 K 7.97 4.06 0.00 1.88 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.55 7.81 57 M 8.21 4.05 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 58 V 7.91 3.67 2.33 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 1.00 0.00 0.00 1.04 0.00 0.00 59 S 7.47 4.14 0.00 4.07 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 60 L 8.42 4.06 0.00 1.75 1.78 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.48 4.02 0.00 1.84 1.74 0.94 0.97 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 62 S 8.02 4.17 0.00 4.09 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.39 3.56 2.28 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 0.86 0.00 0.00 0.98 0.00 0.00 64 L 7.86 4.13 0.00 1.83 1.86 0.95 0.67 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 65 L 7.97 4.08 0.00 1.67 1.73 0.94 0.78 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 66 S 7.97 4.31 0.00 4.05 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 0.00 67 M 7.72 4.38 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 68 Q 8.04 3.97 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 69 G 8.29 3.67 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 0.00 0.00 0.00 70 A 7.90 4.60 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 71 V 7.46 4.37 2.14 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 0.81 0.00 0.00 1.04 0.00 0.00 72 D 7.63 4.63 0.00 2.75 2.56 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 0.00 0.00 0.00 0.00 73 I 7.98 3.74 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 1.70 0.59 0.92 0.00 0.00 74 N 8.16 4.30 0.00 2.87 2.96 0.00 0.00 5.90 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 75 R 7.59 4.25 0.00 2.03 2.19 0.00 3.25 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 76 L 8.43 4.45 0.00 1.89 1.69 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.85 4.51 0.00 2.97 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 78 E 7.71 4.24 0.00 2.04 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 2.21 2.21 0.00