NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2801 8.4449 120.3635 56.0700 30.9703 172.1776 3 Y 4.6702 8.1183 119.9604 55.9689 39.2840 172.4996 4 E 4.2337 9.3688 122.1569 56.5027 31.1327 176.1801 5 E 4.6217 8.5622 120.5766 55.0654 33.5665 175.0062 6 G 3.8472 8.8341 106.0561 43.6146 0.0000 171.3120 7 P 4.1967 0.0000 0.0000 64.2407 31.4300 177.5213 8 G 3.8481 8.8391 109.8080 45.7285 0.0000 173.7886 9 K 4.4169 8.0795 117.4799 55.9743 33.7650 176.1391 10 N 4.9298 7.8506 116.2054 52.2979 37.9750 174.6233 11 I 4.5309 7.0925 110.2519 59.4247 40.6025 173.2039 12 P 4.3794 0.0000 0.0000 63.6892 31.7340 175.7977 13 F 4.9580 7.0879 113.2824 54.8821 40.6357 174.2594 14 S 4.5368 8.4902 115.9180 57.5103 63.2242 174.1795 15 V 4.4903 7.9347 119.2153 61.1292 32.4253 176.6774 16 E 3.9701 8.0965 123.6454 58.3378 29.7040 177.0816 17 N 4.9292 7.8580 117.3568 51.1109 41.6135 174.9442 18 K 3.7456 8.3935 127.8493 59.2601 32.6772 178.8957 19 W 4.4822 7.7678 119.9305 59.1993 29.3719 178.3551 20 R 3.9927 8.6084 118.9390 59.1879 29.4450 178.2641 21 L 3.9719 8.2458 120.5892 58.1495 42.0833 178.7227 22 L 3.9569 7.8548 119.8692 58.0596 42.0137 178.8503 23 A 4.0598 8.1119 120.7189 55.2938 18.2683 179.4422 24 M 4.0106 8.2043 117.1713 59.0408 32.1398 178.9437 25 M 4.1936 8.3634 118.9863 58.7611 32.1024 179.1010 26 T 4.0265 8.2292 115.9631 66.5611 68.5723 176.8729 27 L 4.0291 8.1144 120.9141 58.3171 41.5999 178.5671 28 F 4.0501 8.6934 120.8462 61.8962 39.1386 177.0761 29 F 4.2758 9.0053 117.2668 60.3484 38.9316 178.2354 30 G 3.7479 8.5100 105.9648 47.6879 0.0000 175.9444 31 S 4.2349 8.5790 117.3869 61.1340 62.7421 176.8604 32 G 3.5099 7.5310 108.1608 47.5011 0.0000 175.1749 33 F 4.3962 8.2902 121.9669 60.8473 39.7850 176.7735 34 A 4.4432 8.6587 120.4877 54.6443 18.2145 179.0972 35 A 4.0110 8.0151 119.7235 55.3561 18.3172 178.0788 36 P 4.0893 0.0000 0.0000 65.6877 31.3581 178.8284 37 F 3.9601 7.8877 116.0196 60.6596 38.8038 177.5836 38 F 4.0444 8.5108 116.9634 60.1353 38.5986 178.0123 39 I 3.8236 7.9892 120.0145 64.1240 36.9060 178.4599 40 V 3.5309 7.9978 119.4110 65.8930 31.3611 178.0350 41 R 3.8175 8.0437 118.4269 59.6055 29.6940 177.7433 42 H 4.1217 8.2316 117.0696 59.6997 29.6355 176.9066 43 Q 4.0800 8.4233 119.9004 58.9170 27.2873 178.7736 44 L 4.0776 8.1433 120.0884 57.2239 41.4509 178.4604 45 L 4.0063 7.6881 116.2761 55.3096 41.8298 178.1241 46 K 4.2190 7.6920 118.3641 55.9562 32.5993 176.4506 47 K 3.9400 7.0335 124.2853 57.1308 34.1442 173.7361 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 4.28 0.00 3.02 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.12 4.67 0.00 3.13 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.23 0.00 1.96 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 2.33 2.27 0.00 5 E 8.56 4.62 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 2.20 2.39 0.00 6 G 8.83 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 0.00 0.00 0.00 7 P 0.00 4.20 0.00 2.02 2.00 0.00 3.73 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 2.08 0.00 8 G 8.84 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 0.00 0.00 0.00 9 K 8.08 4.42 0.00 1.80 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 10 N 7.85 4.93 0.00 2.77 2.85 0.00 0.00 5.83 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 7.09 4.53 0.84 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.69 0.00 0.00 12 P 0.00 4.38 0.00 2.22 2.18 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 13 F 7.09 4.96 0.00 3.06 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 14 S 8.49 4.54 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 7.93 4.49 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 0.84 0.00 0.00 0.84 0.00 0.00 16 E 8.10 3.97 0.00 1.84 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 2.29 0.00 17 N 7.86 4.93 0.00 2.78 2.66 0.00 0.00 6.94 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 8.39 3.75 0.00 1.53 1.72 0.00 0.85 0.00 0.00 1.14 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.66 0.21 7.81 19 W 7.77 4.48 0.00 3.62 3.29 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 20 R 8.61 3.99 0.00 2.08 1.97 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 8.25 3.97 0.00 1.86 1.71 1.10 0.71 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 7.85 3.96 0.00 1.99 1.99 0.97 1.23 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 23 A 8.11 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.01 0.00 1.97 2.26 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 2.66 2.94 0.00 25 M 8.36 4.19 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 26 T 8.23 4.03 4.61 0.00 0.00 0.00 0.00 0.00 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 8.11 4.03 0.00 1.92 1.75 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.69 4.05 0.00 2.97 2.86 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 29 F 9.01 4.28 0.00 3.31 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 30 G 8.51 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.58 4.23 0.00 3.97 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.40 0.00 3.20 3.24 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 0.00 34 A 8.66 4.44 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.09 0.00 1.58 1.82 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 37 F 7.89 3.96 0.00 3.28 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 8.51 4.04 0.00 3.22 3.17 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 39 I 7.99 3.82 1.98 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 1.41 0.91 0.91 0.00 0.00 40 V 8.00 3.53 2.18 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.04 3.82 0.00 1.77 2.02 0.00 2.98 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 42 H 8.23 4.12 0.00 3.25 3.50 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 8.42 4.08 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 44 L 8.14 4.08 0.00 1.81 1.69 0.90 0.46 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 45 L 7.69 4.01 0.00 1.74 1.69 0.93 0.73 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 46 K 7.69 4.22 0.00 1.82 1.81 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.41 7.81 47 K 7.03 3.94 0.00 1.95 1.71 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.10 7.81