NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3160 8.1631 117.3743 63.0264 69.6617 173.4667 2 G 3.4853 8.3485 114.8602 45.1261 0.0000 172.5760 3 A 4.2777 8.1152 124.4494 52.3873 21.1555 176.6884 4 G 4.3967 7.1083 112.5884 44.7105 0.0000 176.1791 5 T 3.8786 9.0895 121.1732 66.2354 67.8136 173.5838 6 P 4.2933 0.0000 0.0000 65.5812 31.1255 177.5334 7 S 4.4045 8.0608 113.0537 59.2101 63.1507 175.8467 8 Q 4.1589 8.2303 122.4348 58.3232 28.3450 178.2569 9 G 3.7087 7.4388 108.3588 48.2169 0.0000 174.4030 10 K 4.2581 7.8728 116.5831 57.0679 32.5888 178.2357 11 K 4.3912 7.6153 119.9766 55.6532 29.7782 176.0060 12 N 5.0508 8.0021 116.8854 52.4253 38.4631 175.2555 13 T 4.4790 7.8912 114.2479 63.1808 70.1585 174.0970 14 T 4.5651 8.2734 120.9750 62.0675 70.1196 172.5625 15 T 4.2708 7.5594 114.3143 62.9888 71.1201 172.9285 16 H 4.8535 8.1280 118.8967 55.1648 30.1121 174.7766 17 T 4.8339 9.3419 112.9631 59.0401 72.9425 172.9351 18 K 4.1961 8.8168 122.6003 57.6502 32.7972 175.0380 19 C 4.3745 8.9993 127.9164 57.9669 32.2344 174.1551 20 R 3.6791 8.5677 127.0122 59.1877 29.9064 177.2028 21 R 3.7847 7.4062 116.5095 58.0105 30.7306 176.5257 22 C 4.3789 7.8463 110.1802 57.3401 30.6937 175.2052 23 G 4.0047 8.2199 108.6816 45.4865 0.0000 173.6655 24 E 4.2192 7.4484 118.6303 55.1849 30.8731 176.8691 25 K 4.5480 8.1487 124.9303 55.8765 29.8933 176.5748 26 S 4.7883 7.7415 113.4113 58.2497 66.6541 174.4397 27 Y 4.7925 8.8779 123.8358 56.7787 39.3781 174.4093 28 H 4.2746 8.7464 128.8185 56.0795 29.8637 175.6103 29 T 3.4841 8.7909 122.0824 63.8510 66.9157 174.8956 30 K 4.3061 8.0983 118.8145 57.8523 33.2016 177.3873 31 K 4.1292 7.9632 115.9726 55.6233 33.3642 176.2337 32 K 3.2338 8.4404 118.4328 55.7122 30.1935 175.0605 33 V 4.6451 6.7049 116.5027 61.5077 35.6399 173.2091 34 C 5.2797 9.4387 129.4379 58.9153 32.0435 174.3265 35 S 4.2830 9.3632 122.2264 60.9676 62.8782 175.6256 36 S 4.4123 8.4710 115.0699 60.3512 62.7236 174.3001 37 C 4.4116 8.1125 112.7838 57.5173 30.4528 174.9850 38 G 4.0939 8.4475 109.5020 45.4432 0.0000 173.2466 39 F 4.4932 8.0682 122.2136 59.9763 39.6498 175.9215 40 G 3.6892 8.5411 115.2275 46.0010 0.0000 173.6325 41 K 4.3594 7.8317 118.1613 56.9348 34.2605 175.9368 42 S 4.6817 8.3377 111.2630 56.0770 65.3046 173.5897 43 A 4.2026 8.7064 129.7254 54.9924 18.5435 178.6058 44 K 4.2541 7.4867 114.1481 56.0506 32.7884 177.0651 45 R 4.2938 8.2280 121.0450 55.8465 30.8461 176.5273 46 R 3.8456 8.5159 125.1413 56.7105 30.5850 175.3952 47 D 4.4881 7.5638 123.8059 53.6092 44.1120 173.9469 48 Y 4.5132 8.2720 122.5491 55.7652 41.4016 176.6535 49 E 3.9310 8.5180 121.5345 58.9301 29.8348 178.7376 50 W 4.6121 7.5962 113.0729 57.4292 28.2030 176.5973 51 Q 4.3613 7.4213 117.8043 57.0785 28.3398 175.4721 52 S 4.6991 7.5437 111.6606 56.3220 66.5059 174.0830 53 K 4.0577 8.6383 120.4190 56.2826 32.4209 178.0319 54 A 3.9880 8.8331 126.7197 55.2483 18.5014 178.7420 55 G 4.0861 7.5545 103.4365 44.7769 0.0000 173.2204 56 E 4.4464 7.9776 124.8607 56.6815 30.5149 174.9731 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 T 8.16 4.32 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 2 G 8.35 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.12 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.11 4.40 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 0.00 5 T 9.09 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 P 0.00 4.29 0.00 2.26 2.31 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 7 S 8.06 4.40 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.16 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 9 G 7.44 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.87 4.26 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.62 4.39 0.00 1.91 1.78 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.45 7.81 12 N 8.00 5.05 0.00 2.77 2.82 0.00 0.00 6.31 7.71 0.00 0.00 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 T 7.89 4.48 4.23 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 0.00 0.00 1.20 0.00 0.00 14 T 8.27 4.57 4.23 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 0.00 0.00 1.20 0.00 0.00 15 T 7.56 4.27 3.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 H 8.13 4.85 0.00 3.08 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.34 4.83 4.33 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 1.31 0.00 0.00 18 K 8.82 4.20 0.00 1.79 1.81 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 19 C 9.00 4.37 0.00 3.20 2.85 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 20 R 8.57 3.68 0.00 1.59 1.60 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 21 R 7.41 3.78 0.00 0.67 1.33 0.00 3.25 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 22 C 7.85 4.38 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.22 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 24 E 7.45 4.22 0.00 2.04 1.91 0.00 0.00 0.00 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 2.42 0.00 25 K 8.15 4.55 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.52 7.81 26 S 7.74 4.79 0.00 3.87 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 27 Y 8.88 4.79 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 28 H 8.75 4.27 0.00 3.21 3.00 0.00 5.84 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.79 3.48 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 1.18 0.00 0.00 30 K 8.10 4.31 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 31 K 7.96 4.13 0.00 1.55 1.72 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 0.86 7.81 32 K 8.44 3.23 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.46 7.81 33 V 6.70 4.65 2.02 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 0.98 0.00 0.00 0.96 0.00 0.00 34 C 9.44 5.28 0.00 3.47 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 35 S 9.36 4.28 0.00 3.97 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 36 S 8.47 4.41 0.00 3.91 3.98 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 0.00 0.00 0.00 37 C 8.11 4.41 0.00 3.16 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 38 G 8.45 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.07 4.49 0.00 3.06 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 40 G 8.54 3.69 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 0.00 0.00 0.00 41 K 7.83 4.36 0.00 1.70 1.99 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 42 S 8.34 4.68 0.00 3.80 3.72 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 43 A 8.71 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.25 0.00 1.69 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.23 4.29 0.00 1.65 1.82 0.00 3.36 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 46 R 8.52 3.85 0.00 1.88 1.99 0.00 3.48 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 47 D 7.56 4.49 0.00 2.51 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 0.00 0.00 0.00 48 Y 8.27 4.51 0.00 1.43 1.52 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 49 E 8.52 3.93 0.00 2.06 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 2.38 2.26 0.00 50 W 7.60 4.61 0.00 3.51 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.42 4.36 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 52 S 7.54 4.70 0.00 3.91 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 53 K 8.64 4.06 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.83 3.99 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 55 G 7.55 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.98 4.45 0.00 1.92 1.90 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 2.12 2.14 0.00