NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6096 8.3493 120.5319 54.3815 40.9678 174.4230 2 E 5.4921 7.7966 116.2586 57.1203 32.4582 176.3069 3 D 4.7366 8.3910 126.6223 54.8361 41.4424 177.4885 4 T 4.0485 8.1448 122.6556 64.7231 69.3462 173.0554 5 Y 4.4741 8.2873 121.1043 56.2574 41.7796 173.8271 6 Y 5.2050 8.2372 118.2779 56.2509 40.0233 175.3116 7 L 4.5273 8.6318 126.5271 53.0753 43.1541 175.4367 8 Q 4.1775 8.6734 128.4982 55.3432 29.0881 174.9745 9 V 4.3690 8.1927 125.1532 60.9102 33.8650 174.3516 10 R 4.2983 8.6522 127.2950 55.9140 31.5067 175.0278 11 G 3.9118 8.7862 113.7852 46.2294 0.0000 173.6357 12 R 3.9835 8.9089 124.4247 59.7598 30.1717 177.8721 13 E 3.9360 8.2869 118.3384 59.4139 29.6331 178.2036 14 N 4.3065 8.1286 116.3168 56.6715 39.1741 176.3524 15 F 4.4330 8.6551 122.4483 61.5093 39.4727 176.8902 16 E 3.7170 8.6033 118.4934 59.3938 29.1496 179.4160 17 I 3.6779 7.6232 119.5047 64.4835 37.1291 178.5911 18 L 4.0315 7.8616 119.5858 57.6325 41.4343 179.1522 19 M 3.8160 8.2719 118.5595 58.5685 32.1843 178.2053 20 K 3.8663 7.9937 119.7022 59.3896 32.2773 178.4816 21 L 4.3000 7.5946 121.8972 57.3179 41.9288 178.7129 22 K 3.9656 8.5630 120.1894 59.4218 31.9884 178.4400 23 E 3.9054 8.2186 119.8792 59.0947 29.5858 178.9083 24 S 4.0673 8.0147 114.2934 61.5198 62.8491 176.4962 25 L 3.9672 8.1893 121.9957 57.2961 41.7994 179.1134 26 E 4.1279 8.4044 118.6563 59.5212 29.4764 179.5183 27 L 4.0548 8.2666 119.1090 57.6144 41.4086 178.8592 28 M 4.2590 7.5963 117.0527 57.5571 32.1592 177.0178 29 E 4.3116 7.9607 115.9973 57.6751 30.4168 177.2097 30 L 4.5030 8.0809 119.5130 54.6577 41.2859 176.0487 31 V 4.0649 7.1091 120.3252 60.8814 32.7160 173.8893 32 P 4.1299 0.0000 0.0000 63.0631 32.3081 176.3108 33 Q 3.9750 8.9296 123.7389 59.0520 28.8407 177.0805 34 P 4.2485 0.0000 0.0000 65.8169 31.1127 177.9828 35 L 4.0378 7.8471 119.6376 57.7025 42.0458 178.8363 36 V 3.6925 7.8330 118.4252 65.7772 31.4516 177.4162 37 D 4.3499 8.3441 118.0284 57.4475 41.0424 178.1895 38 S 4.0808 7.9034 113.5625 61.5379 62.2908 175.5036 39 Y 4.0618 7.9170 121.7404 60.9330 38.5241 178.1804 40 R 3.5778 8.4578 119.2930 59.1193 29.9290 178.9435 41 Q 3.8400 7.8947 119.3575 59.2974 28.9374 178.0035 42 Q 3.9033 7.6658 119.0783 59.0288 29.0438 177.5744 43 Q 3.9564 7.8622 120.6524 58.3560 28.8853 177.4385 44 Q 4.0304 7.9200 120.1611 58.2021 29.0389 177.3218 45 L 4.1079 7.1832 121.4531 56.6173 42.4195 177.1687 46 L 4.3596 6.8493 113.6190 55.1350 43.2925 174.7325 47 Q 4.2686 8.6472 120.7521 56.3850 29.4136 176.0489 48 R 4.1024 7.7712 122.2226 56.4462 30.1093 176.2890 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 D 8.35 4.61 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 5.49 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 3 D 8.39 4.74 0.00 2.45 2.38 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 0.00 0.00 0.00 4 T 8.14 4.05 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 1.28 0.00 0.00 5 Y 8.29 4.47 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 5.20 0.00 3.00 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 7 L 8.63 4.53 0.00 1.67 1.68 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.67 4.18 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 V 8.19 4.37 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 1.16 0.00 0.00 1.04 0.00 0.00 10 R 8.65 4.30 0.00 1.79 1.79 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 11 G 8.79 3.91 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 0.00 0.00 0.00 12 R 8.91 3.98 0.00 1.98 2.00 0.00 3.42 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 13 E 8.29 3.94 0.00 2.09 1.97 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 2.40 2.40 0.00 14 N 8.13 4.31 0.00 2.84 3.19 0.00 0.00 6.94 7.74 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 15 F 8.66 4.43 0.00 3.13 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 16 E 8.60 3.72 0.00 2.11 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 2.59 2.50 0.00 17 I 7.62 3.68 1.98 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 1.52 1.41 0.91 0.00 0.00 18 L 7.86 4.03 0.00 1.77 1.74 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.27 3.82 0.00 1.62 1.44 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 2.10 2.25 0.00 20 K 7.99 3.87 0.00 1.85 1.89 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 21 L 7.59 4.30 0.00 1.74 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.56 3.97 0.00 1.81 2.03 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.64 7.81 23 E 8.22 3.91 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 24 S 8.01 4.07 0.00 4.07 4.07 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 25 L 8.19 3.97 0.00 1.71 1.78 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.40 4.13 0.00 2.14 2.00 0.00 0.00 0.00 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 2.49 0.00 27 L 8.27 4.05 0.00 1.76 1.69 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.60 4.26 0.00 1.98 2.23 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 2.60 2.57 0.00 29 E 7.96 4.31 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 30 L 8.08 4.50 0.00 1.75 1.80 0.91 0.81 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 31 V 7.11 4.06 2.06 0.00 0.00 0.00 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 0.94 0.00 0.00 32 P 0.00 4.13 0.00 2.19 2.02 0.00 3.66 0.00 0.00 3.84 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 33 Q 8.93 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 34 P 0.00 4.25 0.00 2.31 2.31 0.00 3.62 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 2.08 2.03 0.00 35 L 7.85 4.04 0.00 1.79 1.90 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.83 3.69 2.25 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 1.05 0.00 0.00 0.98 0.00 0.00 37 D 8.34 4.35 0.00 2.77 2.85 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 38 S 7.90 4.08 0.00 3.90 4.07 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 39 Y 7.92 4.06 0.00 3.10 3.13 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 0.00 0.00 0.00 0.00 40 R 8.46 3.58 0.00 2.06 1.94 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 41 Q 7.89 3.84 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 Q 7.67 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 43 Q 7.86 3.96 0.00 1.41 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 44 Q 7.92 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 45 L 7.18 4.11 0.00 1.57 1.84 0.90 1.17 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 46 L 6.85 4.36 0.00 1.75 1.56 0.93 0.81 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 47 Q 8.65 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 48 R 7.77 4.10 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00