NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3973 8.1576 122.0509 56.3915 34.0081 174.0433 2 S 4.7113 8.5083 121.2467 56.7862 64.8745 172.6395 3 C 4.9797 9.8899 121.8619 55.4611 43.8558 173.5680 4 C 5.5980 9.0706 121.6744 54.3833 42.6954 173.7894 5 P 3.7306 0.0000 0.0000 65.1419 31.5999 176.0402 6 N 4.5219 7.3831 115.3637 51.2243 40.5823 175.2199 7 T 3.9555 8.1580 111.2436 65.1111 68.7562 176.7689 8 T 3.9823 7.9598 118.4994 66.3180 68.4163 176.6734 9 G 3.6123 8.7345 108.1021 47.6419 0.0000 175.5706 10 R 3.9605 8.0897 121.2306 59.4933 30.0765 178.2892 11 D 4.3988 8.4390 118.7906 57.4188 40.7830 178.9637 12 I 3.7154 8.1346 120.5413 64.4747 37.0770 177.7336 13 Y 4.0213 8.3360 120.5997 61.0142 38.6172 178.1089 14 N 4.3461 8.7059 117.6091 56.4082 38.7122 177.5319 15 T 3.8376 8.0878 117.3651 66.8454 68.5571 175.7517 16 C 4.2215 8.2307 120.2671 59.6856 44.8117 175.8473 17 R 3.6902 7.9290 119.8528 59.1676 29.3977 178.9958 18 L 4.1093 8.1919 118.3370 57.2141 41.6037 178.7834 19 G 3.9772 7.5818 103.2400 44.4379 0.0000 174.4040 20 G 3.9422 8.0545 108.9417 44.8359 0.0000 174.5126 21 G 3.7190 7.7146 108.5312 44.6600 0.0000 174.8123 22 S 4.3719 8.2556 116.3639 57.6207 65.2147 175.6952 23 R 4.0508 8.5832 123.7106 60.1648 29.8365 179.8517 24 E 4.0388 8.1358 117.5468 61.0230 29.9546 180.7141 25 R 4.0648 7.8245 119.5021 59.6537 30.1927 178.1280 26 C 4.3055 8.5035 116.2896 59.6858 41.2711 175.8661 27 A 4.1533 8.6920 123.0943 55.3968 17.7607 179.6523 28 S 4.0896 7.9488 110.5793 61.4661 62.5182 176.0701 29 L 4.2066 7.8743 120.7726 56.6660 41.4782 178.4150 30 S 4.6984 7.9647 112.1494 57.6187 64.2353 175.4482 31 G 4.0030 8.2743 109.6381 45.3696 0.0000 172.8186 32 C 4.8460 7.8049 116.1610 56.6647 39.7963 173.1051 33 K 4.5934 8.8881 120.3674 54.7299 34.8147 175.6105 34 I 4.7437 8.2354 124.8924 60.0666 37.9851 174.9348 35 I 4.5433 8.4506 121.8670 58.3046 39.6758 176.3144 36 S 4.6333 8.3693 120.0978 57.4491 63.3825 172.7028 37 A 4.6097 7.4300 121.7261 52.4191 22.2102 176.5857 38 S 4.3741 8.5015 112.5663 59.4959 63.8369 174.3473 39 T 4.4359 7.6121 117.9105 61.6891 69.1200 175.1011 40 C 4.5227 8.5752 124.6915 55.7982 41.5476 172.1168 41 P 4.6189 0.0000 0.0000 62.3958 31.6384 177.6447 42 S 4.1040 8.5989 114.4715 61.1229 62.9737 174.9008 43 D 4.5017 8.0672 118.2680 54.3816 40.2751 175.7178 44 Y 4.6881 7.9705 117.1382 56.1711 38.0610 173.4716 45 P 4.6573 0.0000 0.0000 62.6005 32.9580 176.8704 46 K 4.1690 8.3192 125.3180 56.7752 32.1830 175.9758 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 K 8.16 4.40 0.00 1.92 1.75 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 2 S 8.51 4.71 0.00 3.06 3.28 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 3 C 9.89 4.98 0.00 2.74 3.27 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 4 C 9.07 5.60 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.73 0.00 1.99 1.74 0.00 3.87 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 6 N 7.38 4.52 0.00 2.92 2.86 0.00 0.00 6.04 7.22 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 7 T 8.16 3.96 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 8 T 7.96 3.98 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 1.22 0.00 0.00 9 G 8.73 3.61 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 0.00 0.00 0.00 0.00 10 R 8.09 3.96 0.00 1.97 2.17 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 D 8.44 4.40 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.13 3.72 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 1.00 0.00 0.00 13 Y 8.34 4.02 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.71 4.35 0.00 2.97 2.88 0.00 0.00 7.09 7.40 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 15 T 8.09 3.84 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 1.20 0.00 0.00 16 C 8.23 4.22 0.00 2.92 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.69 0.00 1.83 1.84 0.00 3.29 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.37 0.00 18 L 8.19 4.11 0.00 1.73 1.72 0.92 0.79 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 19 G 7.58 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 0.00 0.00 0.00 20 G 8.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.71 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 0.00 0.00 0.00 22 S 8.26 4.37 0.00 4.06 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 23 R 8.58 4.05 0.00 1.94 2.17 0.00 3.22 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 24 E 8.14 4.04 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 25 R 7.82 4.06 0.00 1.89 1.93 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 26 C 8.50 4.31 0.00 2.61 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 27 A 8.69 4.15 1.49 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 28 S 7.95 4.09 0.00 3.92 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 29 L 7.87 4.21 0.00 1.85 1.73 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.96 4.70 0.00 4.32 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 31 G 8.27 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 32 C 7.80 4.85 0.00 2.74 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.89 4.59 0.00 1.26 1.42 0.00 0.62 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.01 0.59 7.81 34 I 8.24 4.74 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.91 0.00 0.00 35 I 8.45 4.54 1.83 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 1.34 0.71 0.83 0.00 0.00 36 S 8.37 4.63 0.00 3.98 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 37 A 7.43 4.61 1.21 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 0.00 0.00 38 S 8.50 4.37 0.00 3.98 3.99 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 0.00 0.00 0.00 39 T 7.61 4.44 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 40 C 8.58 4.52 0.00 2.98 3.23 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 41 P 0.00 4.62 0.00 2.60 2.21 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 2.26 1.94 0.00 42 S 8.60 4.10 0.00 4.00 4.06 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 0.00 0.00 0.00 0.00 43 D 8.07 4.50 0.00 2.67 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 44 Y 7.97 4.69 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.16 2.14 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 46 K 8.32 4.17 0.00 1.86 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.48 7.81