NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.0555 8.2993 121.7663 56.5776 33.0413 175.1530 22 T 4.3093 8.0825 114.4029 59.2393 70.2880 170.3768 23 E 4.8001 7.8394 120.1161 54.7743 34.0773 176.3860 24 W 5.1604 8.7606 118.0203 53.3661 29.7856 174.4506 25 P 4.4486 0.0000 0.0000 65.0177 31.2862 179.1760 26 E 4.1641 8.2997 116.6808 58.2037 29.9278 177.8248 27 L 4.4066 8.0217 119.2236 54.7386 42.3625 176.6694 28 V 3.8283 7.3344 119.4457 64.5098 31.6818 175.7837 29 G 4.0241 8.9921 115.5040 45.4020 0.0000 173.6902 30 K 4.3463 7.5177 118.4923 55.5136 33.0459 177.1766 31 S 4.4484 9.2268 116.4210 57.7630 65.0540 175.5018 32 V 3.5239 8.1852 121.2010 66.1310 31.2086 177.5193 33 E 3.8897 8.0811 118.4429 59.4555 29.6670 178.5703 34 E 3.9516 8.2790 118.3744 59.0826 29.5257 179.0056 35 A 3.8976 8.0387 120.9184 55.0427 18.3702 179.6000 36 K 3.6961 8.2440 118.3418 59.4702 32.4136 178.7947 37 K 3.8502 7.8853 119.8757 59.4755 32.0652 178.9173 38 V 3.8535 7.5139 119.2604 65.6222 31.5256 178.0225 39 I 3.3571 7.9459 119.8039 64.4007 36.8397 178.5646 40 L 4.3500 8.2092 119.9282 57.5787 41.1963 179.6503 41 Q 4.1186 7.9838 117.9722 59.0874 28.4613 178.2703 42 D 4.8539 8.1546 118.6303 55.5891 42.1567 176.8472 43 K 4.6193 8.5787 120.7574 53.7541 32.8521 174.1324 44 P 4.4043 0.0000 0.0000 64.0742 31.6044 177.2399 45 E 4.2650 8.0758 112.9058 56.0202 30.1843 176.3818 46 A 3.9281 7.8965 123.6268 52.8954 18.7818 177.3140 47 Q 4.4029 8.4721 121.2111 54.2549 29.3336 175.2670 48 I 4.1544 8.1199 124.6410 59.9635 38.1020 175.6266 49 I 4.4288 8.1687 125.9774 59.2229 39.4658 175.0882 50 V 4.3226 8.2973 123.6972 61.0222 33.1544 174.5933 51 L 4.8988 8.1288 125.9707 51.8872 45.4125 174.7789 52 P 4.3850 0.0000 0.0000 62.1800 31.9801 176.4244 53 V 3.6399 8.0765 120.9640 64.6807 31.8165 176.5462 54 G 3.9740 8.8636 114.3644 45.3829 0.0000 173.5326 55 T 4.0418 7.2872 117.2323 63.0824 68.8841 174.4577 56 I 3.9427 8.3138 127.7995 61.2406 37.8860 176.4674 57 V 4.0131 8.2989 117.3470 61.5066 31.8591 175.5262 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 21 K 8.30 4.06 0.00 1.53 1.54 0.00 1.39 0.00 0.00 0.80 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 0.98 7.81 22 T 8.08 4.31 4.20 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 1.16 0.00 0.00 23 E 7.84 4.80 0.00 2.03 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 2.02 2.17 0.00 24 W 8.76 5.16 0.00 3.38 3.01 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 0.00 0.00 0.00 25 P 0.00 4.45 0.00 2.23 2.33 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 26 E 8.30 4.16 0.00 2.18 2.29 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 2.48 2.36 0.00 27 L 8.02 4.41 0.00 1.92 1.74 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.33 3.83 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 0.75 0.00 0.00 1.00 0.00 0.00 29 G 8.99 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 0.00 0.00 0.00 30 K 7.52 4.35 0.00 1.84 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 31 S 9.23 4.45 0.00 3.98 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 32 V 8.19 3.52 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 1.07 0.00 0.00 0.90 0.00 0.00 33 E 8.08 3.89 0.00 2.05 1.91 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 2.36 2.38 0.00 34 E 8.28 3.95 0.00 2.05 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 2.32 2.31 0.00 35 A 8.04 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.70 0.00 1.73 1.92 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 37 K 7.89 3.85 0.00 1.86 1.91 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 V 7.51 3.85 2.17 0.00 0.00 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 1.01 0.00 0.00 39 I 7.95 3.36 1.51 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.23 0.32 0.00 0.00 40 L 8.21 4.35 0.00 1.69 1.70 0.89 0.82 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 41 Q 7.98 4.12 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 42 D 8.15 4.85 0.00 3.25 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 43 K 8.58 4.62 0.00 1.96 1.95 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.69 7.81 44 P 0.00 4.40 0.00 2.10 2.12 0.00 3.81 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 45 E 8.08 4.27 0.00 2.08 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 0.00 2.27 2.26 0.00 46 A 7.90 3.93 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 47 Q 8.47 4.40 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 48 I 8.12 4.15 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.82 0.00 0.00 49 I 8.17 4.43 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 1.28 0.85 0.90 0.00 0.00 50 V 8.30 4.32 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 0.82 0.00 0.00 0.89 0.00 0.00 51 L 8.13 4.90 0.00 1.61 1.50 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.38 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 53 V 8.08 3.64 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 0.78 0.00 0.00 0.93 0.00 0.00 54 G 8.86 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 55 T 7.29 4.04 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 1.21 0.00 0.00 56 I 8.31 3.94 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 1.42 0.47 0.91 0.00 0.00 57 V 8.30 4.01 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 0.94 0.00 0.00