NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.3560 8.4449 116.7540 55.6979 31.4762 174.5422 11 I 4.3221 7.9967 118.7049 58.4769 39.2553 174.7816 12 S 4.4532 8.8429 122.2277 56.9439 65.2798 173.1646 13 A 4.2524 8.1354 123.3777 50.9429 18.7610 175.7508 14 P 4.4953 0.0000 0.0000 62.8180 32.0677 175.5693 15 S 4.6253 7.8948 113.2607 57.3574 66.4087 172.5608 16 N 4.1773 8.8376 114.3712 53.9667 35.7420 175.0402 17 F 4.3213 8.2017 118.2344 58.5654 40.3899 173.7480 18 E 4.1371 7.4962 125.2308 54.7437 33.1841 174.7151 19 H 4.4816 8.2416 122.7264 54.7844 29.6063 174.0180 20 R 4.1766 8.3056 126.3464 57.1806 30.8583 177.6964 21 V 4.2012 7.4849 115.9626 61.0311 34.1631 173.7837 22 H 4.7722 8.6888 125.8239 54.7493 31.1863 172.1277 23 T 4.7910 8.3102 123.5932 62.5557 70.3461 174.7790 24 G 4.3892 8.9800 111.5867 45.1815 0.0000 170.3690 25 F 5.1797 8.7201 120.9192 56.8010 42.7160 173.9886 26 D 4.5893 8.0518 126.5023 52.6622 41.8327 177.1030 27 Q 4.0094 8.7421 126.1097 59.2275 29.2961 177.3920 28 H 4.1772 8.5111 114.1361 58.6662 28.6405 175.9074 29 E 4.3898 7.7540 114.1599 55.1753 30.3337 175.7630 30 Q 3.1238 7.4637 117.2186 56.5771 26.9881 173.8979 31 K 4.5632 6.2528 114.4795 54.2746 37.0762 177.6367 32 F 4.9503 8.9083 122.5992 58.0308 39.8139 174.6267 33 T 4.6055 8.8099 111.8546 59.9426 72.2468 173.7178 34 G 4.1854 8.7520 108.5656 46.5490 0.0000 174.1045 35 L 4.1624 7.8949 117.4058 53.2429 42.6983 175.8179 36 P 3.9772 0.0000 0.0000 63.3121 31.6422 178.3745 37 R 4.3125 8.7327 127.9599 61.7976 28.9128 177.5816 38 Q 4.4131 7.9423 119.1947 59.9303 28.4474 180.7880 39 W 4.7232 8.5784 119.7360 59.2146 29.0566 178.3561 40 Q 4.0290 7.7423 118.9278 59.1600 28.2714 178.7593 41 S 4.5291 8.0346 111.7300 59.2622 63.8485 175.0773 42 L 4.4133 8.2133 122.2109 55.0483 42.4302 176.2002 43 I 4.6771 7.1616 118.5755 59.9096 41.2657 174.8585 44 E 4.4786 8.8325 119.9228 56.1325 30.5067 176.5642 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 10 E 8.44 4.36 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 11 I 8.00 4.32 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 1.47 1.20 0.92 0.00 0.00 12 S 8.84 4.45 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.14 4.25 1.26 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 0.00 0.00 0.00 14 P 0.00 4.50 0.00 2.24 2.10 0.00 3.73 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 2.00 1.97 0.00 15 S 7.89 4.63 0.00 3.95 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 16 N 8.84 4.18 0.00 2.87 2.91 0.00 0.00 6.78 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.20 4.32 0.00 2.96 2.96 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 18 E 7.50 4.14 0.00 1.70 1.57 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 0.00 2.10 2.36 0.00 19 H 8.24 4.48 0.00 2.99 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.31 4.18 0.00 1.74 1.87 0.00 3.12 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 21 V 7.48 4.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.74 0.00 0.00 22 H 8.69 4.77 0.00 2.95 3.13 0.00 5.96 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.31 4.79 4.30 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 1.48 0.00 0.00 24 G 8.98 4.39 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 0.00 25 F 8.72 5.18 0.00 2.92 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 26 D 8.05 4.59 0.00 2.67 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 4.01 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 28 H 8.51 4.18 0.00 3.39 3.34 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.75 4.39 0.00 1.93 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 2.21 2.20 0.00 30 Q 7.46 3.12 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 K 6.25 4.56 0.00 1.45 1.54 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 32 F 8.91 4.95 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.81 4.61 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 1.17 0.00 0.00 34 G 8.75 4.19 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 0.00 35 L 7.89 4.16 0.00 1.71 1.69 1.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 3.98 0.00 0.94 1.26 0.00 3.12 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.11 0.00 37 R 8.73 4.31 0.00 1.81 1.96 0.00 3.32 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 0.00 38 Q 7.94 4.41 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 39 W 8.58 4.72 0.00 3.46 3.14 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 0.00 40 Q 7.74 4.03 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 41 S 8.03 4.53 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.41 0.00 1.67 1.67 0.94 0.75 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 43 I 7.16 4.68 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.86 0.00 0.00 44 E 8.83 4.48 0.00 1.98 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00