NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3317 8.2644 123.5868 52.0281 19.0087 175.6956 3 R 3.9824 7.8414 121.6089 55.2893 31.4513 176.0201 4 K 3.9403 9.1678 125.6731 59.7461 33.1412 178.8013 5 A 3.9910 8.0569 119.0948 54.1789 18.5401 177.7872 6 L 4.5087 7.6481 115.2047 55.7129 41.5880 178.1521 7 I 4.0290 8.4509 119.6640 61.5450 36.5438 177.6488 8 E 4.0448 8.3370 120.9764 58.9106 29.5254 178.8207 9 K 3.9494 7.1546 120.1401 58.9747 32.6528 174.5910 10 A 3.9040 7.5002 129.9758 51.9187 17.6855 176.0966 11 K 4.3205 7.8852 121.1095 55.5924 32.9896 176.7658 12 R 4.0390 8.5201 125.3286 57.9772 30.6566 177.5034 13 T 4.5927 7.0947 108.1314 59.4066 67.9272 172.3724 14 P 4.2542 0.0000 0.0000 64.6547 32.4729 176.7234 15 K 3.9847 9.5419 118.2065 56.1111 31.3520 176.2509 16 F 4.9176 7.6301 116.8612 55.9283 42.2243 174.6255 17 K 3.9158 9.1416 127.9768 59.8356 32.5181 177.8916 18 V 3.8157 8.1138 111.6306 64.6604 31.5074 178.3427 19 R 4.0722 7.8115 116.2930 58.3359 30.0767 177.8473 20 A 4.2491 7.6290 121.1683 51.8589 16.3995 175.9498 21 Y 4.7349 7.7899 118.5363 55.6688 40.2571 176.4570 22 T 4.2450 8.2928 115.9872 62.0163 68.3927 173.3282 23 R 4.8580 7.8545 122.3693 54.6707 34.5882 174.3498 24 C 4.5628 8.7911 120.3979 58.8579 31.8885 174.7936 25 V 3.6605 8.9450 128.0844 64.4422 31.1206 177.2845 26 R 4.2621 7.9711 119.0209 57.4718 30.4958 176.3026 27 C 4.6835 8.3010 112.3876 58.7374 30.5061 174.9492 28 G 3.9610 8.3520 107.3907 44.5490 0.0000 173.6888 29 R 3.8065 8.0012 119.9913 57.0524 30.3166 176.3598 30 A 4.1233 8.6921 128.6990 55.2646 17.9678 177.9734 31 R 4.1122 7.7792 114.3848 57.1990 31.1182 176.6944 32 S 3.6979 8.5626 113.2433 59.8437 60.4140 173.1621 33 V 4.3260 6.9910 111.7633 59.1586 30.2701 175.8458 34 Y 4.2369 8.7692 122.4091 58.4867 38.4031 178.1362 35 R 4.2319 8.6736 121.0217 58.4464 30.9117 178.6316 36 F 4.0186 8.5555 118.3599 59.8674 39.7363 175.2744 37 F 4.6839 8.3246 117.6390 56.5793 41.2673 177.3310 38 G 4.0210 8.3932 108.4762 45.4295 0.0000 173.5991 39 L 4.5220 7.5964 120.4825 54.1208 43.1389 175.2498 40 C 4.8200 8.0449 115.5136 56.8314 33.0275 174.4229 41 R 3.7423 8.2913 116.4679 59.3723 28.7132 179.0150 42 I 3.6888 7.5772 119.9627 64.3995 37.4240 177.6208 43 C 4.3332 7.9852 118.2688 62.2469 28.1084 175.7825 44 L 3.6383 7.7773 121.5607 58.1696 41.2323 179.1600 45 R 3.7494 7.0705 117.0289 59.2857 30.2299 177.7523 46 E 4.0995 8.2035 118.3422 59.6361 29.4857 179.2462 47 L 3.9751 8.1058 118.1909 58.0385 41.6197 179.5258 48 A 3.9779 7.7601 119.9652 55.6827 17.9239 179.4370 49 H 4.2489 7.8620 113.9686 58.6709 28.8866 177.5405 50 K 4.2350 8.0394 118.7411 57.0808 32.1427 178.1793 51 G 4.0012 7.8443 108.0239 45.3644 0.0000 175.0071 52 Q 3.9294 7.8661 117.4036 57.2658 28.8830 176.1623 53 L 4.5703 7.3439 119.7391 51.8468 41.1391 173.6580 54 P 4.2573 0.0000 0.0000 64.4913 31.4635 175.2887 55 G 4.2838 9.1583 113.2113 45.4160 0.0000 174.0058 56 V 3.5326 7.0373 118.4402 63.3578 31.6172 174.9952 57 R 4.6292 8.1458 125.3557 54.1490 33.3887 174.3282 58 K 4.1344 8.5358 120.5695 55.7775 31.8390 176.8452 59 A 4.5387 8.5287 128.0390 51.4450 19.5300 176.5587 60 S 4.8547 8.6051 116.2270 56.8701 66.1208 174.1528 61 W 4.6349 8.2223 119.1580 57.1929 27.3599 174.1274 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 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.84 3.98 0.00 1.96 1.83 0.00 3.20 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 4 K 9.17 3.94 0.00 1.84 1.85 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.39 7.81 5 A 8.06 3.99 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.65 4.51 0.00 1.87 1.80 1.03 0.79 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 7 I 8.45 4.03 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.14 0.92 0.00 0.00 8 E 8.34 4.04 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.27 0.00 9 K 7.15 3.95 0.00 1.60 1.62 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.30 0.92 7.81 10 A 7.50 3.90 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 11 K 7.89 4.32 0.00 2.00 1.62 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.60 7.81 12 R 8.52 4.04 0.00 1.80 1.96 0.00 3.22 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 13 T 7.09 4.59 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 1.18 0.00 0.00 14 P 0.00 4.25 0.00 2.23 2.21 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 15 K 9.54 3.98 0.00 1.57 1.78 0.00 1.58 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.03 7.81 16 F 7.63 4.92 0.00 3.15 2.79 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 17 K 9.14 3.92 0.00 1.75 1.95 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 18 V 8.11 3.82 2.12 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 0.88 0.00 0.00 1.05 0.00 0.00 19 R 7.81 4.07 0.00 1.92 2.15 0.00 3.37 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 20 A 7.63 4.25 1.31 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 0.00 0.00 0.00 21 Y 7.79 4.73 0.00 3.11 2.95 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 0.00 0.00 0.00 0.00 22 T 8.29 4.25 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 23 R 7.85 4.86 0.00 1.78 1.83 0.00 3.29 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 24 C 8.79 4.56 0.00 3.14 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 25 V 8.94 3.66 2.11 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 0.80 0.00 0.00 0.95 0.00 0.00 26 R 7.97 4.26 0.00 1.81 2.00 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 27 C 8.30 4.68 0.00 2.98 2.93 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 28 G 8.35 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 0.00 0.00 0.00 29 R 8.00 3.81 0.00 1.93 1.90 0.00 3.25 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 30 A 8.69 4.12 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 31 R 7.78 4.11 0.00 1.91 1.89 0.00 3.29 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 32 S 8.56 3.70 0.00 4.11 4.08 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 0.00 0.00 0.00 0.00 33 V 6.99 4.33 2.19 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 1.04 0.00 0.00 1.07 0.00 0.00 34 Y 8.77 4.24 0.00 3.12 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 35 R 8.67 4.23 0.00 1.96 2.03 0.00 3.14 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 36 F 8.56 4.02 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.68 0.00 3.09 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 38 G 8.39 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 39 L 7.60 4.52 0.00 1.70 1.61 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.04 4.82 0.00 3.19 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 41 R 8.29 3.74 0.00 2.17 2.49 0.00 2.81 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 42 I 7.58 3.69 1.86 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 1.63 0.71 0.90 0.00 0.00 43 C 7.99 4.33 0.00 2.93 2.98 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 0.00 0.00 0.00 44 L 7.78 3.64 0.00 1.32 1.50 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.07 3.75 0.00 1.86 1.97 0.00 3.35 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 46 E 8.20 4.10 0.00 2.16 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 2.33 2.60 0.00 47 L 8.11 3.98 0.00 1.74 1.73 0.94 0.62 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 48 A 7.76 3.98 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 49 H 7.86 4.25 0.00 3.47 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.04 4.24 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.70 7.81 51 G 7.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 3.93 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 L 7.34 4.57 0.00 1.76 1.93 0.74 1.13 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 54 P 0.00 4.26 0.00 2.21 2.13 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 55 G 9.16 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 0.00 0.00 0.00 0.00 56 V 7.04 3.53 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 0.74 0.00 0.00 1.25 0.00 0.00 57 R 8.15 4.63 0.00 1.92 1.74 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 58 K 8.54 4.13 0.00 1.82 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.44 7.81 59 A 8.53 4.54 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 60 S 8.61 4.85 0.00 3.95 3.85 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 0.00 0.00 0.00 0.00 61 W 8.22 4.63 0.00 3.36 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