NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 L 4.2923 8.1849 120.6286 53.7440 44.2942 177.6152 24 Q 4.2101 6.9032 122.7182 54.5116 27.9237 173.3355 25 C 4.8672 7.7935 116.2050 55.3222 43.8361 174.4433 26 V 3.6490 8.5961 122.7237 65.5846 31.4840 177.1121 27 C 4.5736 8.7142 119.8040 56.2315 38.9290 172.7722 28 L 4.3159 8.2839 124.7021 54.9360 42.9287 177.6895 29 K 4.5223 7.7108 116.9019 54.8505 35.6798 176.0917 30 T 4.6417 8.3061 113.8986 60.7851 71.1072 173.7388 31 T 4.7049 8.1588 116.6779 62.5422 72.3572 174.8960 32 S 4.8128 8.6836 119.1360 58.2851 64.5773 174.4191 33 G 3.9754 8.0692 109.1422 45.5836 0.0000 173.6810 34 I 4.2703 7.5221 112.9122 58.9180 39.8398 174.1138 35 N 4.7901 8.3470 119.0567 51.2670 39.4570 173.7081 36 P 4.2615 0.0000 0.0000 65.2488 31.7916 178.6050 37 R 3.8469 8.8735 118.8130 59.5284 30.0968 177.2274 38 H 4.4808 8.2178 114.0072 57.1705 29.0964 174.9003 39 I 4.4741 7.2618 121.9112 60.7398 37.5276 175.6552 40 S 4.7844 8.8701 120.5843 59.3877 64.6592 174.2871 41 S 4.7134 7.6377 113.0243 57.1957 65.9992 173.2462 42 L 5.1948 8.4375 122.3959 53.3094 44.9805 174.9131 43 E 4.6714 9.4722 127.0188 54.3121 32.6332 174.3625 44 V 4.6859 8.4854 126.6386 61.4203 33.2472 174.4521 45 I 4.4624 8.7002 129.8315 59.4150 39.4414 176.0736 46 G 4.1784 8.6715 113.7011 45.3580 0.0000 173.1068 47 A 4.3897 8.5298 122.2038 52.4305 18.0927 178.2332 48 G 3.9609 8.7029 107.2120 45.6728 0.0000 174.1772 49 L 4.1058 8.7745 120.8924 58.4984 42.8047 179.2928 50 H 4.3083 8.3264 115.4965 58.1806 29.1901 175.8110 51 C 4.8903 7.7204 116.0728 54.2216 46.1155 172.6511 52 P 4.3577 0.0000 0.0000 63.8746 31.4264 175.9841 53 S 4.8799 7.4958 111.8706 55.3291 66.0002 172.2749 54 P 4.6162 0.0000 0.0000 63.3189 32.1434 175.7104 55 Q 4.5274 9.3507 120.4133 54.1764 33.0228 174.5685 56 L 4.9445 8.5468 123.0321 53.2552 44.0486 174.7495 57 I 4.8826 8.5961 125.3482 59.3527 39.5122 174.6981 58 A 5.1910 8.8567 129.0214 50.4888 21.7069 175.1737 59 T 4.9403 8.3820 118.7771 61.8882 70.9127 174.5896 60 L 4.7320 9.4088 127.5098 53.5682 43.0919 178.0024 61 K 3.8903 8.7353 120.8843 60.2076 32.1189 178.8198 62 T 4.0365 7.7557 113.4728 64.3130 68.6998 175.2233 63 G 4.0958 8.4097 108.7944 45.2487 0.0000 174.4808 64 R 4.2956 7.9133 118.8113 55.9874 31.4599 175.6723 65 K 5.7063 8.7751 120.5018 54.2357 35.4073 175.2518 66 I 4.7411 8.0368 114.2230 59.9168 41.5434 174.0062 67 C 5.3293 8.7266 119.6805 55.4603 42.6779 173.0539 68 L 5.1146 8.3612 121.8673 52.1401 44.2049 175.4953 69 D 4.6252 8.4384 120.4303 53.4718 41.9434 177.1790 70 Q 3.8002 8.5247 123.8594 57.9120 29.4825 177.3165 71 Q 4.0934 8.0336 118.1720 58.8619 28.8878 176.3203 72 N 4.6053 7.5613 116.0133 52.7444 39.6581 172.9730 73 P 4.5477 0.0000 0.0000 62.9827 31.7845 177.3736 74 L 3.9265 8.3103 123.4428 59.0287 41.7882 178.4861 75 Y 4.2112 8.1125 117.0532 60.2925 37.8308 178.6592 76 K 3.3309 7.0598 120.0251 58.7957 31.9401 179.4868 77 K 3.9402 7.6462 118.4085 59.3662 32.0497 179.3743 78 I 3.7072 7.9896 120.3654 64.4026 37.0613 178.2641 79 I 3.7119 8.3853 121.4860 64.4942 37.0701 178.2742 80 K 3.8320 7.7901 118.5643 59.7946 31.7275 179.2614 81 R 3.9075 7.5368 116.8294 59.4404 30.0345 178.2430 82 L 4.1548 7.6223 117.5620 57.5910 41.7076 178.9855 83 L 4.2481 7.6754 117.7121 55.7622 43.0283 177.5759 84 K 4.6458 7.5620 117.0261 54.0738 31.9518 176.0508 85 S 4.1298 7.5023 116.4134 58.7865 62.1515 173.5800 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 23 L 8.18 4.29 0.00 1.65 1.60 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 6.90 4.21 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 25 C 7.79 4.87 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 3.65 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 0.79 0.00 0.00 0.92 0.00 0.00 27 C 8.71 4.57 0.00 3.04 3.04 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 0.00 0.00 0.00 28 L 8.28 4.32 0.00 1.61 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.71 4.52 0.00 1.67 1.65 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.41 7.81 30 T 8.31 4.64 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 1.24 0.00 0.00 31 T 8.16 4.70 4.37 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 1.24 0.00 0.00 32 S 8.68 4.81 0.00 3.82 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 33 G 8.07 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 34 I 7.52 4.27 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.93 0.00 0.00 35 N 8.35 4.79 0.00 2.79 2.91 0.00 0.00 6.86 7.71 0.00 0.00 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 P 0.00 4.26 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 37 R 8.87 3.85 0.00 1.63 1.77 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 38 H 8.22 4.48 0.00 3.43 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.26 4.47 1.89 0.00 0.00 0.89 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 0.78 1.03 0.00 0.00 40 S 8.87 4.78 0.00 3.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.71 0.00 3.89 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 42 L 8.44 5.19 0.00 1.63 1.57 0.97 0.93 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 43 E 9.47 4.67 0.00 1.99 1.73 0.00 0.00 0.00 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 2.20 0.00 44 V 8.49 4.69 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 0.80 0.00 0.00 0.90 0.00 0.00 45 I 8.70 4.46 1.85 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 1.14 0.71 0.89 0.00 0.00 46 G 8.67 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.53 4.39 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 48 G 8.70 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 49 L 8.77 4.11 0.00 1.56 1.59 0.90 0.91 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 50 H 8.33 4.31 0.00 3.23 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.72 4.89 0.00 2.88 2.87 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 52 P 0.00 4.36 0.00 2.08 2.08 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 53 S 7.50 4.88 0.00 3.80 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 54 P 0.00 4.62 0.00 1.88 1.98 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 55 Q 9.35 4.53 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 56 L 8.55 4.94 0.00 1.68 1.51 0.64 0.49 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 57 I 8.60 4.88 1.86 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 1.15 0.60 0.90 0.00 0.00 58 A 8.86 5.19 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 59 T 8.38 4.94 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 1.26 0.00 0.00 60 L 9.41 4.73 0.00 1.70 1.58 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.74 3.89 0.00 1.76 1.92 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.46 7.81 62 T 7.76 4.04 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 63 G 8.41 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.91 4.30 0.00 1.83 1.85 0.00 3.12 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 65 K 8.78 5.71 0.00 1.60 1.68 0.00 1.76 0.00 0.00 2.41 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.23 7.81 66 I 8.04 4.74 1.88 0.00 0.00 0.88 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 0.68 0.91 0.00 0.00 67 C 8.73 5.33 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.36 5.11 0.00 1.52 1.61 0.98 0.97 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 69 D 8.44 4.63 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 70 Q 8.52 3.80 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 71 Q 8.03 4.09 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 72 N 7.56 4.61 0.00 2.72 2.78 0.00 0.00 7.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.55 0.00 2.16 2.17 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 74 L 8.31 3.93 0.00 1.80 1.84 0.93 0.80 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 75 Y 8.11 4.21 0.00 3.28 3.22 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 0.00 76 K 7.06 3.33 0.00 1.66 1.63 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 0.55 7.81 77 K 7.65 3.94 0.00 2.01 1.82 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 78 I 7.99 3.71 2.07 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 1.54 1.15 0.95 0.00 0.00 79 I 8.39 3.71 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.93 0.00 0.00 80 K 7.79 3.83 0.00 1.96 1.85 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 81 R 7.54 3.91 0.00 1.76 2.11 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 82 L 7.62 4.15 0.00 1.81 1.72 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.68 4.25 0.00 1.81 1.72 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.56 4.65 0.00 1.84 1.72 0.00 1.82 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 85 S 7.50 4.13 0.00 3.99 3.80 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 0.00 0.00 0.00