NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4788 8.1933 115.2963 58.1591 63.8561 174.6638 5 S 4.1295 8.5787 123.4566 60.2426 62.5377 175.0043 6 L 4.0679 8.1140 122.5322 57.8223 42.5626 177.6242 7 Y 4.3373 8.0400 119.2231 60.7118 39.0707 177.3720 8 K 4.0521 8.2277 119.2002 59.6868 31.8469 179.3575 9 T 3.6550 7.5092 109.0379 64.3240 68.5717 175.9904 10 F 4.0661 7.4779 118.6872 58.5361 39.8033 176.9490 11 F 4.6248 7.5249 114.3189 56.0103 40.8506 175.2431 12 K 4.1700 8.7954 117.1257 57.5727 29.4446 175.4061 13 R 4.0593 7.9484 112.1037 56.5533 29.3283 176.8136 14 N 4.7858 8.0089 115.5674 51.8553 40.0994 174.5247 15 A 4.3152 8.1309 123.1917 51.3086 19.5458 177.3447 16 V 3.2943 7.6791 119.4017 62.3355 32.3007 176.5128 17 F 4.8252 7.9814 125.3421 56.8110 41.0678 176.8630 18 V 3.2299 8.4283 115.1420 64.6575 31.2170 178.8878 19 G 3.8404 8.0301 104.4442 48.5506 0.0000 175.6765 20 T 3.9224 7.8543 118.0016 65.7994 68.4466 176.9765 21 I 3.5750 7.6091 121.9893 64.4641 37.2850 178.4219 22 F 4.2525 8.5670 119.1773 60.4553 38.4589 177.6344 23 A 3.9171 8.1830 120.6970 55.1313 18.1324 180.0113 24 G 3.5290 8.4350 104.3021 47.6105 0.0000 175.8971 25 A 4.0683 7.9936 123.1900 55.0831 18.5309 179.7300 26 F 4.5478 7.9461 116.1387 60.7565 39.0191 178.0989 27 V 3.7432 7.7500 117.7716 66.0043 31.4169 177.5649 28 F 4.1103 8.5027 120.5981 61.6564 39.3302 176.5968 29 Q 4.1271 8.7783 119.5602 59.4973 28.7272 178.7671 30 T 4.0905 7.5993 109.4006 64.5095 69.2904 177.1477 31 V 3.5359 7.7726 121.4176 65.5689 31.5005 177.7841 32 F 4.0033 8.2835 120.7970 61.1009 38.9831 176.6214 33 D 4.1243 7.6794 116.4977 57.4745 40.9890 178.3569 34 T 3.7928 7.8014 115.9238 66.5255 68.4692 176.4265 35 A 3.9709 7.8166 122.5732 55.2245 18.4123 179.8087 36 I 3.4936 7.5054 118.2428 64.7901 37.1759 178.7309 37 T 3.9575 8.0024 116.7425 66.8156 68.2076 176.7882 38 S 4.1275 8.2762 116.9670 61.2986 62.8087 176.5411 39 W 3.9601 8.2203 130.9347 60.5929 30.2511 177.1872 40 Y 4.2876 8.8683 119.8146 61.0755 38.0583 178.0959 41 E 3.8875 8.5967 118.3545 59.3572 29.8719 178.5842 42 N 4.3001 8.4146 117.5791 56.7927 38.7617 176.4869 43 H 3.7867 7.8317 119.0149 57.9577 29.9806 175.9706 44 N 4.8121 7.1120 117.0937 51.2801 39.0796 174.0257 45 K 4.0890 6.9115 121.9978 58.1774 32.5543 175.2397 46 G 4.2125 9.3835 116.8919 46.3952 0.0000 175.1458 47 K 4.1401 7.8680 118.2186 58.4195 32.6991 178.4310 48 L 4.2736 7.6271 118.2063 53.9280 43.5476 177.6760 49 W 4.4503 8.8059 130.8415 60.7081 30.8375 178.2110 50 K 3.5499 8.1895 117.9012 59.7325 31.1029 178.6335 51 D 4.2384 7.9184 118.1519 57.5254 40.6981 179.0564 52 V 3.5903 7.7256 118.4367 65.4525 31.2626 178.0092 53 K 3.2343 7.7466 119.7979 58.6732 31.5748 178.7514 54 A 3.8973 7.3271 120.0937 55.8231 18.5126 178.5573 55 R 3.6874 7.4659 113.7275 59.7613 30.5054 178.5204 56 I 3.9782 7.0158 125.8256 61.1484 35.3285 176.0965 57 A 4.4038 8.1098 124.9973 51.2786 16.2556 177.8979 58 A 4.3589 7.9779 123.2522 52.0357 19.3516 177.2107 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 4 S 8.19 4.48 0.00 3.91 3.90 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 5 S 8.58 4.13 0.00 4.00 3.89 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 6 L 8.11 4.07 0.00 1.70 1.82 1.10 0.96 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 7 Y 8.04 4.34 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 4.05 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.85 7.81 9 T 7.51 3.65 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 1.09 0.00 0.00 10 F 7.48 4.07 0.00 1.97 1.62 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 11 F 7.52 4.62 0.00 2.42 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 12 K 8.80 4.17 0.00 1.78 1.86 0.00 1.96 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 13 R 7.95 4.06 0.00 2.15 2.22 0.00 3.05 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 14 N 8.01 4.79 0.00 2.87 2.64 0.00 0.00 6.91 6.94 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 15 A 8.13 4.32 1.24 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 0.00 0.00 16 V 7.68 3.29 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 -0.16 0.00 0.00 17 F 7.98 4.83 0.00 3.08 2.74 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 18 V 8.43 3.23 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 0.51 0.00 0.00 0.77 0.00 0.00 19 G 8.03 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 20 T 7.85 3.92 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 1.28 0.00 0.00 21 I 7.61 3.57 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.84 0.00 0.00 22 F 8.57 4.25 0.00 2.74 2.52 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 23 A 8.18 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.99 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.95 4.55 0.00 3.28 3.06 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 27 V 7.75 3.74 2.31 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 1.07 0.00 0.00 1.07 0.00 0.00 28 F 8.50 4.11 0.00 3.23 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 29 Q 8.78 4.13 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 30 T 7.60 4.09 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 1.23 0.00 0.00 31 V 7.77 3.54 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 1.00 0.00 0.00 1.00 0.00 0.00 32 F 8.28 4.00 0.00 1.86 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 33 D 7.68 4.12 0.00 3.04 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 34 T 7.80 3.79 4.34 0.00 0.00 0.00 0.00 0.00 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 35 A 7.82 3.97 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 36 I 7.51 3.49 1.52 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.36 0.73 0.00 0.00 37 T 8.00 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 1.26 0.00 0.00 38 S 8.28 4.13 0.00 3.96 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 39 W 8.22 3.96 0.00 3.54 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.87 4.29 0.00 3.31 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 41 E 8.60 3.89 0.00 2.04 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 2.41 2.55 0.00 42 N 8.41 4.30 0.00 2.72 2.79 0.00 0.00 6.84 7.62 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 43 H 7.83 3.79 0.00 1.84 2.86 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.11 4.81 0.00 2.45 2.59 0.00 0.00 6.49 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 45 K 6.91 4.09 0.00 1.68 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.33 7.81 46 G 9.38 4.21 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 0.00 47 K 7.87 4.14 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.37 7.81 48 L 7.63 4.27 0.00 1.94 1.62 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.81 4.45 0.00 3.38 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 50 K 8.19 3.55 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.60 7.81 51 D 7.92 4.24 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.73 3.59 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 1.01 0.00 0.00 1.04 0.00 0.00 53 K 7.75 3.23 0.00 0.79 1.26 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 1.03 7.81 54 A 7.33 3.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.69 0.00 1.77 1.78 0.00 3.11 0.00 0.00 3.33 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 56 I 7.02 3.98 1.95 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 1.19 0.73 0.92 0.00 0.00 57 A 8.11 4.40 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 58 A 7.98 4.36 1.30 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 0.00 0.00