NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4110 8.3044 120.3484 55.0923 32.8389 174.7445 2 V 3.4715 8.6152 127.3204 64.7509 31.6829 174.2998 3 I 4.4938 7.9174 121.2061 59.4327 40.4060 174.1602 4 A 4.6445 8.8877 128.8876 50.6623 20.9693 177.7683 5 T 3.8838 8.5362 116.0263 67.2366 68.2143 176.6964 6 D 4.5276 8.0766 118.4136 57.0148 40.8937 177.7821 7 D 4.5486 8.0236 118.1695 55.8444 41.2848 176.8678 8 L 4.6870 8.1276 119.6121 55.6941 43.7658 176.3071 9 E 5.2535 7.9131 114.0080 55.2682 32.7570 174.6182 10 T 4.7937 8.9906 110.2871 59.8615 72.9247 173.1567 11 T 4.2953 8.6347 118.7628 64.3957 69.3901 173.5847 12 C 4.2682 8.8625 126.8336 59.0097 32.0538 172.9793 13 P 4.3583 0.0000 0.0000 65.0664 31.5491 177.3898 14 N 4.4642 8.2921 116.4254 55.9434 39.1211 175.2367 15 C 4.5127 7.9671 110.1129 57.1156 30.6204 173.2673 16 N 4.3417 9.0270 116.5159 54.5268 36.0893 175.3491 17 G 4.0404 8.5739 107.1594 45.3102 0.0000 175.5705 18 S 4.1351 7.6116 113.6279 59.1250 63.5170 175.7096 19 G 4.0025 8.2633 107.5085 45.9876 0.0000 172.7073 20 R 5.0020 7.6353 117.0235 54.3787 33.7441 175.5892 21 E 4.6503 9.0428 120.0262 54.8926 29.5538 174.2756 22 E 4.0415 7.6991 118.1143 55.7153 30.5708 175.7405 23 P 4.7453 0.0000 0.0000 62.6559 31.9533 175.0617 24 E 4.7557 7.7436 118.4535 53.9103 32.2281 173.8592 25 P 4.6668 0.0000 0.0000 62.4781 32.1245 175.8947 26 C 4.2138 8.6984 121.6326 59.0766 31.8025 173.0771 27 P 4.3594 0.0000 0.0000 64.9263 31.3551 177.6136 28 K 4.1267 8.0814 118.9545 58.2734 32.4532 176.8592 29 C 4.6929 7.8911 110.7264 56.6823 30.1211 173.4063 30 L 3.7205 8.7736 120.1587 56.3390 40.2656 175.4955 31 G 4.0221 8.2986 104.1688 44.9810 0.0000 176.2706 32 K 3.9261 8.0369 119.1497 57.5281 32.4123 178.5058 33 G 4.0174 8.7993 106.2065 45.2377 0.0000 172.7871 34 V 5.1880 7.2745 111.0314 59.5178 35.9274 174.4444 35 I 4.6757 8.7670 115.9863 58.9152 41.0680 174.5097 36 L 4.8283 8.3852 122.9148 54.7447 42.7687 177.2063 37 T 4.3502 8.4083 113.3574 60.6163 71.0668 175.5281 38 A 3.9818 8.6191 122.3394 55.2395 18.2032 179.5202 39 Q 3.9525 8.0622 117.6574 59.3107 29.2384 178.3142 40 G 3.6843 7.8138 106.6189 47.9834 0.0000 175.3512 41 S 4.1230 8.2142 115.6657 61.4598 62.3817 176.4801 42 T 3.9333 7.7804 118.0655 66.6678 68.2203 176.7960 43 L 4.0991 8.1356 121.0030 57.6583 41.6199 179.3342 44 L 4.0233 8.3171 120.6903 58.3735 42.0588 178.4672 45 H 4.1304 8.4477 118.3121 59.0354 29.8195 177.0223 46 F 4.1674 8.2239 122.0086 61.3868 39.3807 177.0040 47 I 3.4447 7.9815 119.2615 64.3827 36.8320 178.4562 48 K 3.8391 8.0813 119.1411 59.3452 31.6613 179.1626 49 K 3.7382 7.4923 118.3858 59.5459 32.2240 177.7410 50 H 4.4763 7.3925 112.4323 56.0280 28.9916 175.7467 51 I 4.2728 7.1389 120.2149 60.7049 39.6039 175.9345 52 H 4.7271 9.5570 120.0220 55.7374 28.2019 174.7610 53 E 4.2361 7.6584 121.3399 56.5747 30.4485 174.9454 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 8.30 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 V 8.62 3.47 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 0.81 0.00 0.00 0.92 0.00 0.00 3 I 7.92 4.49 1.87 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 0.78 0.91 0.00 0.00 4 A 8.89 4.64 1.25 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 0.00 0.00 0.00 5 T 8.54 3.88 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 6 D 8.08 4.53 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.02 4.55 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.13 4.69 0.00 1.70 1.70 0.93 0.68 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 9 E 7.91 5.25 0.00 2.01 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 2.35 2.31 0.00 10 T 8.99 4.79 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 11 T 8.63 4.30 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 1.23 0.00 0.00 12 C 8.86 4.27 0.00 3.02 2.80 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 13 P 0.00 4.36 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 14 N 8.29 4.46 0.00 2.68 2.83 0.00 0.00 6.88 7.65 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 15 C 7.97 4.51 0.00 3.20 3.18 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 16 N 9.03 4.34 0.00 2.92 2.94 0.00 0.00 7.20 6.97 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 17 G 8.57 4.04 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 0.00 0.00 0.00 18 S 7.61 4.14 0.00 3.95 4.01 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 19 G 8.26 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 0.00 0.00 0.00 20 R 7.64 5.00 0.00 1.78 1.81 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 21 E 9.04 4.65 0.00 1.87 1.76 0.00 0.00 0.00 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 2.25 0.00 22 E 7.70 4.04 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 23 P 0.00 4.75 0.00 2.17 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 24 E 7.74 4.76 0.00 2.01 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 2.22 2.35 0.00 25 P 0.00 4.67 0.00 2.17 2.05 0.00 3.77 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 1.99 1.95 0.00 26 C 8.70 4.21 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 28 K 8.08 4.13 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.89 4.69 0.00 3.25 3.08 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 0.00 0.00 0.00 30 L 8.77 3.72 0.00 1.72 1.74 0.92 1.50 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 31 G 8.30 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 32 K 8.04 3.93 0.00 1.82 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 33 G 8.80 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 34 V 7.27 5.19 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 1.01 0.00 0.00 35 I 8.77 4.68 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 1.34 1.34 0.91 0.00 0.00 36 L 8.39 4.83 0.00 1.56 1.64 0.94 0.88 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 37 T 8.41 4.35 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 38 A 8.62 3.98 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 39 Q 8.06 3.95 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 7.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.12 0.00 3.96 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 42 T 7.78 3.93 4.41 0.00 0.00 0.00 0.00 0.00 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 43 L 8.14 4.10 0.00 1.73 1.77 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.32 4.02 0.00 1.91 1.70 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.45 4.13 0.00 3.37 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.22 4.17 0.00 3.19 3.25 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 0.00 47 I 7.98 3.44 1.90 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 1.94 1.12 0.90 0.00 0.00 48 K 8.08 3.84 0.00 1.82 1.79 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 49 K 7.49 3.74 0.00 1.64 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.04 1.28 7.81 50 H 7.39 4.48 0.00 2.73 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.14 4.27 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.92 0.00 0.00 52 H 9.56 4.73 0.00 3.15 3.49 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.66 4.24 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00