NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5136 8.2893 120.3270 55.9799 33.5416 175.2683 2 T 4.4785 7.9941 106.0024 60.1544 69.4937 168.5251 3 V 4.4712 7.8238 120.2606 62.4968 35.9138 175.6277 4 Q 4.6303 8.3771 126.3147 55.2460 29.6062 174.8563 5 D 4.6499 7.8900 118.1347 53.7457 42.5935 176.0786 6 Y 4.0378 8.7968 126.8149 60.3546 38.7968 177.7632 7 L 4.1532 8.1412 120.0147 57.9544 41.4053 179.3534 8 L 4.0328 7.6598 117.9516 57.7537 41.5652 179.3644 9 K 4.0293 7.9262 118.5211 59.1736 31.8870 179.2598 10 F 4.0031 8.0841 120.6926 61.1258 39.1709 176.9208 11 R 4.0162 8.0163 117.7289 59.4206 29.9245 178.1997 12 K 4.0792 7.5895 117.0800 58.0536 32.4674 177.4421 13 I 3.7360 7.0530 120.4093 61.6047 37.4353 175.6961 14 S 4.5942 8.5320 120.0278 59.4124 65.3092 174.9821 15 S 4.4957 7.6712 116.1402 57.5480 63.7551 175.2975 16 L 4.1635 8.4433 124.2391 57.6272 41.9368 179.2120 17 E 3.9509 8.3488 118.3292 59.6108 29.2684 179.1110 18 S 4.0376 7.6817 111.4627 60.8543 62.2500 175.8612 19 L 3.9707 7.7654 123.6114 58.2538 41.8820 178.8839 20 E 4.1298 8.1627 116.8518 59.2105 29.4085 179.1614 21 K 3.9112 7.7313 119.4127 59.3755 32.1827 179.0873 22 L 4.0604 8.6576 121.3762 58.2346 41.8059 178.3723 23 Y 4.2432 8.1864 119.7141 60.8766 38.7841 177.2507 24 D 3.9697 8.2466 118.9182 57.2509 41.2607 177.9374 25 H 4.1025 8.5316 119.2718 59.4128 30.1866 177.4042 26 L 4.4547 8.1086 122.2405 57.0502 41.3935 178.9443 27 N 4.3659 8.7990 117.5361 56.1639 38.5620 176.1289 28 Y 4.1935 7.6022 117.1768 60.6065 38.6352 176.7385 29 T 3.9160 8.1513 111.6494 63.4279 67.0332 175.8728 30 L 4.1669 8.1133 119.8950 53.7855 42.4798 177.9214 31 T 4.1149 7.8926 112.5517 64.2231 66.7686 172.1407 32 D 4.8158 7.4648 119.9130 52.7992 44.1326 176.5650 33 D 4.4662 8.4264 118.8130 57.2081 41.1114 177.7096 34 Q 4.0235 8.1973 118.8484 59.3248 28.7755 178.8698 35 E 4.0528 8.1019 117.6762 59.2382 29.4060 178.7076 36 L 4.2078 7.5325 120.5029 58.1282 41.6732 178.7407 37 I 3.8054 8.5587 118.8527 63.6200 37.8417 177.7404 38 N 4.3969 8.2777 117.6571 56.6128 38.5060 177.3286 39 M 4.1601 8.6453 120.3763 58.4299 31.9670 178.3537 40 Y 3.7344 7.8143 119.6255 60.6010 38.9860 178.1757 41 R 3.9032 7.7988 117.8579 59.1802 30.1621 178.8798 42 A 3.6151 8.1037 120.7205 54.9129 18.1979 179.5327 43 A 3.8843 7.6476 119.4963 55.2430 18.4173 179.4398 44 D 4.1099 7.8520 116.5839 57.5352 41.2485 177.9275 45 H 4.0496 8.4950 119.1811 59.3807 29.9227 177.4818 46 R 3.9383 8.2913 120.2440 59.2708 29.9049 179.1256 47 R 3.8835 8.1147 118.3160 59.3739 30.0810 178.4606 48 A 4.0284 8.6061 120.9720 55.0087 18.1972 179.5306 49 E 3.9668 8.8481 117.7123 59.4531 29.3083 179.5911 50 L 4.0213 7.7959 118.3361 57.8008 41.8216 179.6650 51 V 3.7995 7.6574 117.9520 63.8069 31.4603 177.2500 52 S 4.8760 8.2369 112.7646 57.3154 63.4917 174.2762 53 G 3.7450 7.8746 105.3374 43.5360 0.0000 174.9878 54 G 3.9697 8.3714 107.6768 43.8897 0.0000 173.3487 55 R 3.9093 8.5378 125.2911 56.0872 30.7136 176.1081 56 L 4.6904 8.0762 121.6401 52.9729 44.1445 176.5698 57 F 4.6689 8.5772 119.1588 57.8006 39.3271 175.5040 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 8.29 4.51 0.00 2.03 2.16 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 2.50 2.54 0.00 2 T 7.99 4.48 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 1.21 0.00 0.00 3 V 7.82 4.47 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 4 Q 8.38 4.63 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 5 D 7.89 4.65 0.00 2.75 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 6 Y 8.80 4.04 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.15 0.00 1.74 1.75 0.97 1.01 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 8 L 7.66 4.03 0.00 1.81 1.70 0.92 0.73 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 9 K 7.93 4.03 0.00 1.46 1.48 0.00 1.41 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 1.29 7.81 10 F 8.08 4.00 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.02 0.00 1.91 2.16 0.00 3.32 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 12 K 7.59 4.08 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.50 7.81 13 I 7.05 3.74 1.69 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.71 0.00 0.00 14 S 8.53 4.59 0.00 3.80 3.86 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 0.00 0.00 0.00 15 S 7.67 4.50 0.00 3.84 3.74 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 16 L 8.44 4.16 0.00 1.70 1.71 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.35 3.95 0.00 2.03 1.99 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 2.39 2.43 0.00 18 S 7.68 4.04 0.00 3.85 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 19 L 7.77 3.97 0.00 1.79 1.84 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.16 4.13 0.00 2.28 2.23 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 2.47 2.46 0.00 21 K 7.73 3.91 0.00 1.98 1.90 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 L 8.66 4.06 0.00 1.72 1.77 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.19 4.24 0.00 3.27 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 24 D 8.25 3.97 0.00 2.96 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.10 0.00 3.37 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.11 4.45 0.00 1.82 1.55 0.18 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.80 4.37 0.00 2.18 2.59 0.00 0.00 6.44 7.70 0.00 0.00 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 Y 7.60 4.19 0.00 2.95 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 29 T 8.15 3.92 4.22 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 1.30 0.00 0.00 30 L 8.11 4.17 0.00 2.12 1.95 0.87 0.79 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 31 T 7.89 4.11 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 1.19 0.00 0.00 32 D 7.46 4.82 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.47 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.02 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 35 E 8.10 4.05 0.00 2.16 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 0.00 2.55 2.27 0.00 36 L 7.53 4.21 0.00 2.07 1.86 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.56 3.81 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 1.53 1.15 1.02 0.00 0.00 38 N 8.28 4.40 0.00 3.00 2.91 0.00 0.00 6.98 7.53 0.00 0.00 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 M 8.65 4.16 0.00 2.22 2.59 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 3.07 0.00 40 Y 7.81 3.73 0.00 3.20 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.80 3.90 0.00 2.10 1.95 0.00 3.40 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 A 8.10 3.62 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 3.88 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 44 D 7.85 4.11 0.00 2.87 2.57 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 0.00 0.00 0.00 45 H 8.49 4.05 0.00 3.36 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.29 3.94 0.00 2.31 2.10 0.00 3.75 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 47 R 8.11 3.88 0.00 2.14 1.87 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 48 A 8.61 4.03 1.29 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 0.00 0.00 0.00 0.00 0.00 49 E 8.85 3.97 0.00 2.07 2.03 0.00 0.00 0.00 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 2.67 0.00 50 L 7.80 4.02 0.00 1.73 1.71 1.00 0.75 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 51 V 7.66 3.80 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 0.84 0.00 0.00 0.91 0.00 0.00 52 S 8.24 4.88 0.00 3.93 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 53 G 7.87 3.74 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 0.00 0.00 0.00 54 G 8.37 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 R 8.54 3.91 0.00 1.62 1.56 0.00 3.20 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 56 L 8.08 4.69 0.00 1.55 1.53 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.58 4.67 0.00 3.04 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