NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5641 8.2644 122.4651 51.7767 20.4901 175.3648 2 K 4.4124 8.5327 120.1865 54.4014 34.8407 173.1699 3 T 5.2373 8.6143 123.4253 60.9172 71.8229 172.6679 4 I 4.6789 8.1879 118.1787 59.3322 42.0570 173.6529 5 K 5.0325 8.8631 122.7650 54.8599 33.7767 175.8348 6 I 5.3152 8.8471 118.4231 58.5008 41.0742 174.5325 7 T 4.6479 8.3373 112.0960 60.2160 71.8550 174.9611 8 Q 3.7241 8.7647 123.3875 59.7269 29.0775 176.8290 9 T 3.7932 7.2994 115.9214 63.9187 67.6865 172.5580 10 R 4.1144 7.4587 118.0711 56.0032 30.3317 176.7994 11 S 4.3794 8.3715 115.6222 59.0601 63.4686 174.2713 12 A 4.7540 8.0530 124.8951 51.5225 19.2537 178.0698 13 I 3.8522 8.3434 123.3425 65.1588 37.3483 177.6542 14 G 3.9836 7.7954 105.4311 44.9352 0.0000 173.0338 15 R 4.0140 7.9965 118.4920 55.7925 30.8626 175.9003 16 L 4.1321 8.3463 118.6228 54.4930 42.3088 176.5446 17 P 4.5174 0.0000 0.0000 63.5840 31.7398 177.3115 18 K 4.3260 7.6642 117.3336 57.8060 33.1177 176.6664 19 H 4.8261 7.9832 115.9723 56.1329 29.5999 175.4166 20 K 4.5899 7.5430 118.0363 55.6161 32.1982 176.9879 21 A 4.5672 7.6720 117.4954 52.1823 23.0420 178.8316 22 T 4.1591 7.8794 113.1138 65.4305 68.6182 176.5020 23 L 3.9967 7.9317 121.1810 57.7283 41.3636 179.1368 24 L 4.0629 7.9127 117.5725 57.9459 41.7588 179.1917 25 G 3.8601 7.5921 104.1599 47.5951 0.0000 174.7510 26 L 4.4400 8.1653 119.9504 53.9995 42.0720 178.5873 27 G 3.9608 8.1532 104.8979 45.4626 0.0000 173.8121 28 L 4.2427 7.1436 119.2225 55.2526 42.0697 177.7638 29 R 4.5002 7.8723 117.3696 56.4705 32.5426 174.4854 30 R 4.5156 7.4887 116.1947 55.8226 33.6477 174.6070 31 I 4.2451 8.2628 110.7464 61.4074 38.1486 176.5311 32 G 3.9734 7.6438 110.1703 45.7153 0.0000 173.8779 33 H 4.2070 8.5425 122.0302 56.7138 30.7224 174.7586 34 T 3.6069 7.7383 106.9341 62.2131 66.8060 170.3779 35 V 4.6283 7.1862 114.0344 60.5466 35.8222 175.9144 36 E 5.4378 8.3981 118.0336 55.3662 32.0540 174.4446 37 R 4.5043 8.1214 114.6614 55.3245 32.2666 173.5906 38 E 4.4096 8.8559 119.8253 56.4249 30.5392 176.2048 39 D 5.0829 8.9290 122.3116 52.8129 45.1122 174.8563 40 T 4.8731 8.2893 111.5384 58.4817 72.1787 172.9804 41 P 4.2317 0.0000 0.0000 65.8591 31.1349 178.6461 42 A 3.9811 7.9408 119.1556 55.2905 18.5628 179.1456 43 I 3.9083 7.6698 115.7803 62.8045 37.3590 177.5451 44 R 4.4744 8.0872 119.1274 56.8413 30.6379 178.2420 45 G 4.1411 7.8996 105.8067 45.8281 0.0000 175.6984 46 M 4.0104 8.2582 120.9274 58.8955 32.0883 178.0958 47 I 3.6890 7.4066 118.3646 64.8103 37.3586 177.8283 48 N 4.5203 8.4403 118.1823 55.5234 38.1844 177.2724 49 A 4.1256 8.0837 121.7876 54.3544 18.9919 177.8898 50 V 4.6199 7.7261 110.9296 60.9272 32.7195 178.0308 51 S 4.0718 8.0228 118.3828 61.8154 62.9835 177.2402 52 F 4.4911 8.1041 116.5471 59.4531 38.7768 175.3488 53 M 4.6965 7.7282 119.4549 54.7604 32.3475 174.4818 54 V 4.8407 7.4057 115.5825 59.6343 35.5224 174.4774 55 K 4.5181 8.7305 119.0115 54.8242 35.5063 176.3201 56 V 4.1506 8.4668 119.0369 60.6327 32.9141 175.9192 57 E 4.5304 9.0577 124.6366 54.1550 32.0795 176.2612 58 E 4.1076 8.7261 123.1888 56.5990 29.5268 177.3549 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 A 8.26 4.56 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 2 K 8.53 4.41 0.00 1.80 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.48 7.81 3 T 8.61 5.24 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 1.27 0.00 0.00 4 I 8.19 4.68 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 0.97 0.00 0.00 5 K 8.86 5.03 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.50 7.81 6 I 8.85 5.32 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 1.00 1.85 0.91 0.00 0.00 7 T 8.34 4.65 4.41 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 1.28 0.00 0.00 8 Q 8.76 3.72 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 5.66 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 9 T 7.30 3.79 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 1.22 0.00 0.00 10 R 7.46 4.11 0.00 1.93 1.95 0.00 3.06 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 S 8.37 4.38 0.00 3.89 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 12 A 8.05 4.75 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 13 I 8.34 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.91 0.00 0.00 14 G 7.80 3.98 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 0.00 0.00 0.00 15 R 8.00 4.01 0.00 1.85 2.05 0.00 3.20 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 1.65 1.70 0.00 16 L 8.35 4.13 0.00 1.46 1.49 0.91 0.96 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 17 P 0.00 4.52 0.00 2.20 2.27 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 18 K 7.66 4.33 0.00 1.83 1.89 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.09 1.10 7.81 19 H 7.98 4.83 0.00 3.25 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.54 4.59 0.00 1.83 1.80 0.00 1.92 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 21 A 7.67 4.57 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 22 T 7.88 4.16 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 23 L 7.93 4.00 0.00 1.68 1.73 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.91 4.06 0.00 1.61 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.59 3.86 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 0.00 0.00 0.00 26 L 8.17 4.44 0.00 1.81 1.72 0.93 0.95 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 27 G 8.15 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 28 L 7.14 4.24 0.00 1.47 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.87 4.50 0.00 1.19 1.70 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 30 R 7.49 4.52 0.00 1.89 1.89 0.00 3.23 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 31 I 8.26 4.25 1.99 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 1.36 0.88 1.00 0.00 0.00 32 G 7.64 3.97 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 0.00 0.00 0.00 33 H 8.54 4.21 0.00 3.30 3.36 0.00 6.08 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.74 3.61 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 1.21 0.00 0.00 35 V 7.19 4.63 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 0.89 0.00 0.00 0.98 0.00 0.00 36 E 8.40 5.44 0.00 1.99 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 2.15 0.00 37 R 8.12 4.50 0.00 1.85 2.01 0.00 2.98 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 38 E 8.86 4.41 0.00 1.87 1.93 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 2.31 2.19 0.00 39 D 8.93 5.08 0.00 2.59 2.50 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 0.00 40 T 8.29 4.87 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 41 P 0.00 4.23 0.00 2.17 2.18 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 7.94 3.98 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 43 I 7.67 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.91 0.00 0.00 44 R 8.09 4.47 0.00 1.85 1.94 0.00 3.11 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 45 G 7.90 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 0.00 0.00 0.00 46 M 8.26 4.01 0.00 2.21 2.08 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 2.61 2.59 0.00 47 I 7.41 3.69 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.91 0.89 0.00 0.00 48 N 8.44 4.52 0.00 2.95 2.84 0.00 0.00 6.53 7.13 0.00 0.00 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 A 8.08 4.13 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 50 V 7.73 4.62 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 0.95 0.00 0.00 0.97 0.00 0.00 51 S 8.02 4.07 0.00 3.53 3.68 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 52 F 8.10 4.49 0.00 3.01 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 53 M 7.73 4.70 0.00 1.91 2.03 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 2.51 2.45 0.00 54 V 7.41 4.84 2.16 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 1.00 0.00 0.00 1.00 0.00 0.00 55 K 8.73 4.52 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.54 7.81 56 V 8.47 4.15 2.26 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 0.66 0.00 0.00 0.91 0.00 0.00 57 E 9.06 4.53 0.00 2.08 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 0.00 2.20 2.28 0.00 58 E 8.73 4.11 0.00 1.95 1.86 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 2.30 2.24 0.00