NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.2893 120.3262 54.0947 32.0922 174.2215 2 P 4.3048 0.0000 0.0000 62.1248 32.9279 174.5237 3 R 4.2870 9.3138 119.4377 56.2873 31.9037 177.1580 4 L 5.0194 9.2075 122.6331 53.1118 44.4082 175.6850 5 K 4.8182 9.4939 126.8257 54.6551 32.7232 173.7033 6 V 4.0232 8.4896 126.0117 61.6970 33.0661 174.2378 7 K 4.9609 8.5652 128.0725 53.6204 35.5602 174.1863 8 L 4.7097 8.3551 127.9426 54.3262 42.8659 176.9304 9 V 4.9364 8.5198 117.7015 59.9363 34.7518 175.7999 10 K 4.5254 8.1206 121.3122 53.9282 33.9103 175.6352 11 S 4.3100 8.5761 121.0949 57.7268 63.0369 172.2455 12 P 4.6771 0.0000 0.0000 64.5351 31.6761 174.3544 13 I 3.8372 7.0987 121.2215 62.7097 35.9730 174.3467 14 G 3.3568 8.1730 111.5426 45.0302 0.0000 171.2346 15 Y 4.5678 8.3505 119.2209 55.4858 39.8393 174.0969 16 P 4.3508 0.0000 0.0000 62.4763 33.5470 177.3071 17 K 3.8935 8.7257 121.0345 59.8530 32.1535 178.4028 18 D 4.4283 8.1912 118.7801 57.2378 38.8592 178.8765 19 Q 4.0689 8.2254 119.4677 58.0095 28.6561 179.3057 20 K 4.0086 7.8688 119.4675 59.4099 32.1164 179.1772 21 A 4.0175 8.1171 120.8053 54.9013 18.1595 179.3392 22 A 3.9823 8.5482 119.6993 55.6521 18.5098 179.8694 23 L 3.9997 7.6514 117.1689 57.8274 41.8063 179.8355 24 K 4.0379 8.1830 119.4381 59.0749 31.8473 178.8554 25 A 4.0513 8.3170 120.9888 55.3193 18.4997 179.4591 26 L 4.1227 8.0614 116.4607 56.0305 41.6565 178.3129 27 G 3.8745 7.5858 105.3053 45.5578 0.0000 173.1790 28 L 5.1793 8.0445 120.2567 52.2412 41.4613 176.3474 29 R 3.9740 8.1179 125.7902 57.3973 30.2517 179.0810 30 R 4.3008 7.7406 118.8809 55.1170 31.7200 176.2135 31 L 4.1880 8.1450 119.7009 55.0813 43.3736 175.4252 32 Q 3.4014 8.7155 119.0017 57.4175 26.6455 173.7318 33 Q 4.9169 7.5959 117.3088 54.1784 32.0951 174.8290 34 E 4.2988 8.8677 125.9841 56.5992 30.9682 176.5941 35 R 4.2874 8.1982 118.9043 55.8406 34.0787 173.3131 36 V 4.9558 8.5307 126.9244 61.3075 33.3704 174.6407 37 L 4.8446 9.0909 126.5135 52.9377 46.8862 175.2877 38 E 4.2928 8.7025 120.9530 55.9450 30.7768 177.3934 39 D 4.7932 8.0478 124.0627 54.5844 40.6254 176.4913 40 T 4.1102 8.5409 112.1451 60.7235 68.5650 172.8065 41 P 4.2459 0.0000 0.0000 65.9810 30.6192 178.3843 42 A 3.9597 7.8128 120.1592 54.9725 18.2267 179.7027 43 I 3.6630 7.6706 117.6561 64.5024 37.1679 178.4660 44 R 3.9951 8.0809 119.0470 59.3916 29.7331 178.9339 45 G 3.9289 8.1918 104.1196 48.1672 0.0000 175.1048 46 N 4.4743 7.8394 118.1533 56.0638 38.8163 177.5436 47 V 3.5446 7.9547 119.8580 66.1472 31.3813 177.5869 48 E 3.9399 9.0803 119.9095 59.4270 29.3507 179.0473 49 K 4.1812 7.9366 116.7546 58.6232 32.1501 178.6799 50 V 4.2662 7.1269 110.5198 60.7812 32.0948 177.2655 51 A 3.9213 8.2592 126.0433 55.8085 18.1506 180.1848 52 H 4.5755 8.3152 107.5846 56.9199 29.0031 175.4645 53 L 4.4514 8.4943 120.9459 55.0896 44.0477 176.6346 54 V 4.8557 7.3252 108.9084 59.6203 35.2257 175.9702 55 R 4.4938 8.8142 121.0967 54.5317 32.1133 176.0499 56 V 4.2828 8.3364 123.9855 62.8027 32.9663 174.9605 57 E 4.7650 8.3638 121.3378 54.9741 34.3866 174.4730 58 V 4.3890 8.3861 123.8648 62.1982 32.9986 175.8702 59 V 4.0736 9.2631 128.0299 63.0224 31.7050 175.0106 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 M 8.29 4.39 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.30 0.00 2.36 2.23 0.00 3.69 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 2.07 2.06 0.00 3 R 9.31 4.29 0.00 1.82 1.88 0.00 3.08 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 9.21 5.02 0.00 1.68 1.55 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.49 4.82 0.00 1.73 1.67 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 6 V 8.49 4.02 2.07 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 0.83 0.00 0.00 0.92 0.00 0.00 7 K 8.57 4.96 0.00 1.87 1.59 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.17 7.81 8 L 8.36 4.71 0.00 1.75 1.51 0.97 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 9 V 8.52 4.94 2.08 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 1.19 0.00 0.00 1.00 0.00 0.00 10 K 8.12 4.53 0.00 1.67 1.65 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 11 S 8.58 4.31 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.33 2.33 0.00 3.81 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 2.11 2.01 0.00 13 I 7.10 3.84 1.86 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 1.24 0.55 0.90 0.00 0.00 14 G 8.17 3.36 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 0.00 0.00 0.00 0.00 15 Y 8.35 4.57 0.00 3.06 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 16 P 0.00 4.35 0.00 2.33 2.10 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 17 K 8.73 3.89 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 18 D 8.19 4.43 0.00 2.91 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 19 Q 8.23 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 20 K 7.87 4.01 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 21 A 8.12 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 3.98 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 0.00 0.00 0.00 0.00 0.00 23 L 7.65 4.00 0.00 1.85 1.89 0.97 0.80 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 24 K 8.18 4.04 0.00 1.84 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 A 8.32 4.05 1.35 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 0.00 0.00 0.00 26 L 8.06 4.12 0.00 1.58 1.74 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.59 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.04 5.18 0.00 1.56 1.63 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.12 3.97 0.00 1.80 1.79 0.00 3.20 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 30 R 7.74 4.30 0.00 1.92 1.96 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 31 L 8.15 4.19 0.00 1.61 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.72 3.40 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 7.60 4.92 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 34 E 8.87 4.30 0.00 1.89 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 2.31 2.25 0.00 35 R 8.20 4.29 0.00 1.92 1.72 0.00 3.10 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 36 V 8.53 4.96 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 37 L 9.09 4.84 0.00 1.53 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.70 4.29 0.00 1.96 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 2.40 2.37 0.00 39 D 8.05 4.79 0.00 2.93 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.11 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 1.26 0.00 0.00 41 P 0.00 4.25 0.00 2.30 2.30 0.00 3.75 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 2.07 2.04 0.00 42 A 7.81 3.96 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 43 I 7.67 3.66 1.94 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 1.81 0.93 0.91 0.00 0.00 44 R 8.08 4.00 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 45 G 8.19 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 0.00 0.00 0.00 46 N 7.84 4.47 0.00 2.84 2.86 0.00 0.00 6.68 7.56 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 47 V 7.95 3.54 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 0.98 0.00 0.00 0.95 0.00 0.00 48 E 9.08 3.94 0.00 1.97 2.08 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 2.29 2.34 0.00 49 K 7.94 4.18 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 50 V 7.13 4.27 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 0.92 0.00 0.00 0.92 0.00 0.00 51 A 8.26 3.92 1.36 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 0.00 0.00 0.00 52 H 8.32 4.58 0.00 3.20 3.35 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.49 4.45 0.00 1.54 1.58 0.52 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.33 4.86 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 0.65 0.00 0.00 0.97 0.00 0.00 55 R 8.81 4.49 0.00 1.65 1.82 0.00 3.27 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 56 V 8.34 4.28 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 57 E 8.36 4.77 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 58 V 8.39 4.39 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 9.26 4.07 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00