NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2183 8.2644 123.5823 51.7169 19.8775 176.2339 2 M 3.9196 8.5026 120.4065 54.1113 32.1321 174.2710 3 D 4.5934 9.4839 126.3786 52.7259 41.0397 176.8200 4 K 3.9725 8.0979 118.5620 57.0512 29.7029 177.4342 5 S 3.9718 8.4964 113.7447 59.0179 63.3672 174.8737 6 A 3.7236 7.5936 123.0921 52.7710 16.5695 176.8670 7 K 4.9701 7.7855 116.5236 57.1900 33.4442 176.1286 8 A 4.7643 8.5846 123.2012 49.9270 23.4319 173.7285 9 P 4.6538 0.0000 0.0000 62.6097 32.3791 176.0573 10 V 4.0690 8.8547 126.6112 61.8236 32.6512 174.4932 11 I 4.9155 8.3171 128.9229 60.0160 39.1237 175.2207 12 T 4.3302 8.8357 123.3166 61.7634 71.3703 173.1967 13 I 4.2848 8.1990 128.0862 60.2772 38.1302 175.9633 14 F 4.4011 9.2442 128.6989 56.0624 39.1322 173.7667 15 D 4.9480 8.4949 122.7545 52.2557 41.1334 175.8178 16 H 5.1317 8.4952 128.3151 54.4953 29.6115 175.1523 17 R 4.2405 7.7766 118.6465 57.9264 30.4838 178.1189 18 G 3.9236 9.4678 110.9342 45.5588 0.0000 173.0518 19 C 4.3477 7.8065 120.6581 58.6599 32.0837 173.9001 20 S 4.2043 8.5462 120.9091 60.2267 63.1823 174.1227 21 R 4.0430 7.8432 121.7914 55.2522 29.9672 175.6056 22 A 4.1663 8.4188 129.0040 51.1694 19.1124 175.2190 23 P 4.4515 0.0000 0.0000 63.1356 31.9979 175.8608 24 K 4.6775 7.9692 115.4887 58.1005 38.7721 177.3674 25 E 4.0050 8.2820 118.7894 59.2172 29.7766 176.7064 26 Y 4.3151 7.9546 120.8271 57.4874 39.2796 175.2256 27 T 4.3092 7.8779 115.5779 61.0699 69.4683 174.4090 28 G 3.5811 5.7067 110.4079 43.8291 0.0000 173.3670 29 A 4.1448 8.2601 121.5411 52.0696 18.8972 177.6138 30 K 4.5704 8.3573 119.6012 55.7736 33.2822 177.3168 31 A 4.1854 9.4183 125.0599 52.6616 19.0614 177.9158 32 G 3.8257 9.1803 103.5667 46.4807 0.0000 173.5943 33 G 4.0341 7.4550 107.7370 45.4358 0.0000 174.7533 34 K 4.0095 8.3941 117.7076 59.1350 32.3719 178.8483 35 D 4.3445 8.0927 118.4793 57.0139 40.8286 177.6216 36 D 4.5502 8.2688 117.7174 55.9425 41.2132 176.4721 37 E 4.7381 8.4031 118.5801 56.1734 30.8445 175.2126 38 M 5.3731 7.7809 118.4404 54.2582 36.3789 174.2990 39 M 4.6324 9.0289 119.3285 54.5505 36.5087 173.2992 40 V 4.7048 8.3324 124.7927 61.2337 33.2679 174.5062 41 K 4.8194 9.1600 129.3943 54.7922 34.4797 174.6959 42 A 5.2702 8.4093 126.7816 50.6710 22.6058 174.9565 43 Q 4.5481 8.5879 119.6777 54.8167 33.2646 173.3814 44 S 4.7751 8.6900 121.3029 58.1046 63.2883 173.2459 45 V 4.4942 8.5098 126.8375 60.5912 34.9452 174.3250 46 K 4.5320 8.7248 129.1590 56.5995 32.7056 175.9684 47 I 4.2058 8.6559 129.8510 60.7855 37.7445 175.4947 48 E 4.7212 8.7806 125.8411 54.3327 32.8772 175.3093 49 V 4.3858 8.1607 121.4549 60.5401 34.4539 176.0136 50 S 4.5450 8.3695 121.6757 57.7244 65.5162 175.2381 51 T 3.9557 8.4934 119.2594 66.9870 68.1710 176.9530 52 G 3.6052 8.0154 106.8240 48.0897 0.0000 175.7047 53 T 3.8667 8.1918 118.2411 66.2759 68.4938 176.5680 54 A 3.9956 8.1303 122.6740 55.3095 18.4095 179.5524 55 E 4.0397 8.6762 117.6002 59.4472 29.4469 179.8618 56 G 3.6003 8.2709 105.8928 47.7838 0.0000 176.0126 57 V 3.5910 8.0120 120.8179 65.3919 31.4662 177.7867 58 L 3.9016 8.0704 119.9853 58.2240 41.9561 178.9316 59 A 3.9769 8.0860 120.5456 55.3634 18.3247 179.6204 60 T 3.8107 8.0926 114.3661 66.9815 68.5457 176.9851 61 S 4.1320 8.3127 117.1019 61.6354 62.6516 176.7325 62 L 3.9727 7.9085 120.3023 57.8516 41.4335 179.2386 63 A 4.1441 7.9455 119.6254 54.5636 18.3992 179.2105 64 K 4.2021 7.9994 116.2852 57.6251 32.6857 177.5479 65 M 4.3964 7.4757 116.0319 55.2666 32.0131 175.0595 66 T 4.4666 8.2601 107.0262 62.3569 70.6466 174.0329 67 K 4.1075 7.7513 125.2471 56.3881 32.2775 175.3631 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 4.22 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 2 M 8.50 3.92 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 3 D 9.48 4.59 0.00 2.80 2.75 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 0.00 0.00 0.00 4 K 8.10 3.97 0.00 2.02 1.99 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 5 S 8.50 3.97 0.00 3.98 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 6 A 7.59 3.72 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.97 0.00 1.68 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.55 7.81 8 A 8.58 4.76 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.65 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 V 8.85 4.07 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 0.93 0.00 0.00 0.93 0.00 0.00 11 I 8.32 4.92 1.85 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 1.34 0.72 0.89 0.00 0.00 12 T 8.84 4.33 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 0.37 0.00 0.00 13 I 8.20 4.28 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.88 0.00 0.00 14 F 9.24 4.40 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.95 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 5.13 0.00 3.28 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.78 4.24 0.00 1.77 1.90 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 18 G 9.47 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 0.00 0.00 0.00 19 C 7.81 4.35 0.00 3.00 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 20 S 8.55 4.20 0.00 4.02 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 21 R 7.84 4.04 0.00 1.80 1.90 0.00 3.40 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 22 A 8.42 4.17 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 23 P 0.00 4.45 0.00 2.07 2.01 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 24 K 7.97 4.68 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 25 E 8.28 4.00 0.00 1.91 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 2.25 2.32 0.00 26 Y 7.95 4.32 0.00 3.00 2.84 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 27 T 7.88 4.31 4.09 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 1.16 0.00 0.00 28 G 5.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.57 0.00 1.79 2.03 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.46 7.81 31 A 9.42 4.19 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 32 G 9.18 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.39 4.01 0.00 1.80 1.88 0.00 1.70 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.41 7.81 35 D 8.09 4.34 0.00 2.68 2.67 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 36 D 8.27 4.55 0.00 2.79 2.75 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 0.00 0.00 0.00 37 E 8.40 4.74 0.00 2.02 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 0.00 2.24 2.26 0.00 38 M 7.78 5.37 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 39 M 9.03 4.63 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 40 V 8.33 4.70 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 41 K 9.16 4.82 0.00 2.09 1.97 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 A 8.41 5.27 1.19 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 0.00 0.00 43 Q 8.59 4.55 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 44 S 8.69 4.78 0.00 3.93 3.77 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 45 V 8.51 4.49 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 1.00 0.00 0.00 46 K 8.72 4.53 0.00 1.81 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.47 7.81 47 I 8.66 4.21 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 1.38 0.93 0.91 0.00 0.00 48 E 8.78 4.72 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 49 V 8.16 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 0.86 0.00 0.00 0.93 0.00 0.00 50 S 8.37 4.54 0.00 4.09 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 51 T 8.49 3.96 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 52 G 8.02 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.19 3.87 4.38 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 1.21 0.00 0.00 54 A 8.13 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.04 0.00 2.13 2.01 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 2.33 2.48 0.00 56 G 8.27 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.01 3.59 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 1.07 0.00 0.00 0.97 0.00 0.00 58 L 8.07 3.90 0.00 1.86 1.84 0.92 0.81 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 59 A 8.09 3.98 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.09 3.81 4.40 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 0.00 0.00 0.00 1.21 0.00 0.00 61 S 8.31 4.13 0.00 3.98 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 62 L 7.91 3.97 0.00 1.74 1.73 0.92 0.72 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 63 A 7.95 4.14 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 64 K 8.00 4.20 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 65 M 7.48 4.40 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 66 T 8.26 4.47 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 67 K 7.75 4.11 0.00 1.83 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81