NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3040 8.4449 120.3591 55.9536 31.0054 172.6057 3 Y 4.7341 8.2393 121.1240 56.4559 39.0567 172.5997 4 E 4.2385 9.4193 122.6892 56.6012 31.1993 176.1975 5 E 4.6045 8.5640 119.9524 55.4914 33.4020 174.5559 6 G 3.7929 8.8054 106.6389 43.2349 0.0000 171.3826 7 P 4.3000 0.0000 0.0000 63.8311 31.5126 177.1482 8 G 3.8265 8.7223 109.2613 46.0944 0.0000 173.9815 9 K 4.3743 8.2087 118.2683 56.0308 33.5733 176.3996 10 N 4.9157 7.8529 115.9762 52.2654 38.1089 174.5457 11 I 4.4851 7.0474 110.5456 59.5554 40.6231 172.7728 12 P 4.6238 0.0000 0.0000 62.6267 31.4125 175.4370 13 F 4.9308 6.6403 110.8737 55.7070 40.9474 173.7144 14 S 4.4736 8.5803 115.9567 57.7973 63.1255 174.1300 15 V 4.4384 7.9842 118.5239 61.1621 32.2057 176.4273 16 E 3.9760 8.6374 123.8060 58.5467 29.6403 177.2232 17 N 4.9257 7.8722 117.3135 51.1153 41.5169 174.8356 18 K 3.8300 8.3520 128.1095 59.6423 32.6517 179.2364 19 W 4.4758 7.5256 119.8140 59.6221 29.1323 178.2359 20 R 3.9743 9.1286 119.1052 59.2980 29.5162 178.2916 21 L 3.9722 8.3110 120.5629 58.1649 42.1445 178.7140 22 L 3.9848 8.1752 120.1054 58.0213 41.9973 178.8261 23 A 4.0648 8.1012 120.8250 55.3207 18.3224 179.2682 24 M 3.9770 8.1468 117.1865 59.0693 32.0738 178.9716 25 M 4.1267 8.1617 118.4389 58.6795 32.0797 178.8071 26 T 3.9846 8.0873 115.8462 66.8311 68.7020 176.5040 27 L 4.0243 8.0094 120.5718 58.2282 41.1862 178.8129 28 F 4.0995 8.9301 120.8966 61.6010 39.1423 177.1300 29 F 4.2689 9.1880 117.4110 60.5248 38.9294 178.1780 30 G 3.8416 8.7418 106.0698 47.7568 0.0000 175.8908 31 S 4.2682 8.2448 116.7431 61.2885 62.7987 176.9199 32 G 3.5202 7.4849 107.4126 47.4398 0.0000 175.1643 33 F 4.3276 8.2358 122.0097 61.0139 39.7202 176.7792 34 A 4.4368 8.6334 120.3557 54.6039 18.1949 179.0979 35 A 4.0158 8.0494 119.7536 55.4441 18.3165 178.2799 36 P 4.0841 0.0000 0.0000 65.3982 31.3466 178.9966 37 F 3.7993 8.0557 116.8945 60.5407 38.7729 177.7753 38 F 4.0520 8.3615 116.9139 60.2766 38.7049 177.7854 39 I 3.7383 8.1307 120.0059 64.4515 36.9566 178.5498 40 V 3.5257 8.0252 119.3447 66.0028 31.2053 178.0413 41 R 3.9145 8.0263 118.5763 59.2209 29.6455 177.9927 42 H 4.1530 8.2007 117.7010 59.2691 30.2196 176.9830 43 Q 4.0903 8.2811 119.9055 59.1513 28.4025 178.8485 44 L 4.0179 7.7548 118.3240 57.7259 41.7150 179.0994 45 L 4.2129 7.7138 116.9132 56.1370 41.7435 178.9487 46 K 4.1720 7.6362 118.6212 58.4998 32.4238 176.6403 47 K 4.0744 7.6417 122.8100 56.7775 32.1338 175.0205 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 2 H 8.44 4.30 0.00 3.03 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.24 4.73 0.00 3.20 2.81 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 0.00 0.00 0.00 4 E 9.42 4.24 0.00 1.95 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 2.33 2.36 0.00 5 E 8.56 4.60 0.00 1.87 1.78 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 2.28 2.20 0.00 6 G 8.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.02 1.98 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 8 G 8.72 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 9 K 8.21 4.37 0.00 1.71 1.79 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.59 7.81 10 N 7.85 4.92 0.00 2.76 2.84 0.00 0.00 5.82 7.81 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 11 I 7.05 4.49 0.61 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.70 0.00 0.00 12 P 0.00 4.62 0.00 2.20 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 2.10 1.96 0.00 13 F 6.64 4.93 0.00 3.06 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 14 S 8.58 4.47 0.00 3.84 3.81 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 0.00 0.00 0.00 15 V 7.98 4.44 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 0.84 0.00 0.00 0.86 0.00 0.00 16 E 8.64 3.98 0.00 1.87 1.98 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 2.33 2.30 0.00 17 N 7.87 4.93 0.00 2.78 2.66 0.00 0.00 6.91 6.75 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 18 K 8.35 3.83 0.00 1.51 1.70 0.00 0.65 0.00 0.00 0.98 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.63 0.21 7.81 19 W 7.53 4.48 0.00 3.66 3.30 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 20 R 9.13 3.97 0.00 1.90 2.09 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.31 3.97 0.00 1.85 1.76 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.18 3.98 0.00 1.96 2.03 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.10 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.15 3.98 0.00 1.95 2.28 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 2.64 2.96 0.00 25 M 8.16 4.13 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 26 T 8.09 3.98 4.58 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 1.27 0.00 0.00 27 L 8.01 4.02 0.00 1.91 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.93 4.10 0.00 2.85 2.81 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 0.00 0.00 0.00 29 F 9.19 4.27 0.00 3.27 3.02 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 30 G 8.74 3.84 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 0.00 0.00 0.00 31 S 8.24 4.27 0.00 4.05 4.17 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 0.00 0.00 0.00 0.00 32 G 7.48 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 4.33 0.00 3.22 3.26 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 34 A 8.63 4.44 1.58 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 35 A 8.05 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.08 0.00 1.58 1.83 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 37 F 8.06 3.80 0.00 3.23 2.89 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 38 F 8.36 4.05 0.00 3.36 3.19 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 39 I 8.13 3.74 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 1.40 0.80 0.91 0.00 0.00 40 V 8.03 3.53 2.14 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 0.94 0.00 0.00 0.79 0.00 0.00 41 R 8.03 3.91 0.00 1.87 2.07 0.00 3.00 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 H 8.20 4.15 0.00 3.26 3.53 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.28 4.09 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 44 L 7.75 4.02 0.00 1.60 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.71 4.21 0.00 1.82 1.71 0.95 0.95 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 46 K 7.64 4.17 0.00 1.83 1.81 0.00 1.62 0.00 0.00 1.27 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.29 7.81 47 K 7.64 4.07 0.00 1.65 1.59 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.42 7.81