NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3413 8.3044 120.3281 54.4064 33.3882 174.1568 2 K 3.6479 8.4929 120.7942 56.5798 31.8814 175.0182 3 R 4.2833 8.2390 126.1510 55.8324 31.8891 176.9871 4 T 4.2781 7.9954 110.0277 60.2295 66.8254 173.0880 5 F 4.5434 8.0021 135.0000 55.8829 43.5722 174.9616 6 Q 3.5121 7.9723 123.5648 54.1120 29.0463 172.7254 7 P 4.1908 0.0000 0.0000 65.4645 31.0734 176.6068 8 S 4.0036 8.7682 111.8703 58.8684 59.6445 169.3971 9 V 3.9073 7.8989 118.7740 61.5899 32.0651 177.2650 10 L 4.2944 7.6737 119.1842 56.7669 41.1829 177.4317 11 K 4.1163 7.4782 117.9564 57.2879 32.1858 177.3497 12 R 4.0480 7.1035 117.8064 58.6130 30.8202 177.5246 13 N 4.8346 7.9996 115.2190 56.6104 39.1399 177.1090 14 R 4.4539 7.7647 116.0887 55.6162 29.5189 176.4246 15 S 4.5682 8.6556 114.0714 59.4279 69.4020 174.6842 16 H 4.4921 7.4752 121.6796 56.1649 31.8879 173.2864 17 G 4.5317 8.8220 127.0700 46.6837 0.0000 171.1671 18 F 4.0187 7.2698 123.4315 59.5444 38.5937 178.8882 19 R 3.6913 7.7187 115.5820 59.2682 29.1046 178.4409 20 A 4.0414 7.6709 120.1394 55.1834 18.7416 178.4606 21 R 4.1072 7.9119 116.9717 57.7960 30.1247 177.9149 22 M 3.9480 9.2078 123.4903 58.8251 32.4810 178.8367 23 A 4.0969 7.4528 119.4384 54.5764 19.0168 178.1492 24 T 3.9404 7.3949 114.6342 63.1651 69.0197 174.4277 25 K 3.8135 8.2700 122.5272 60.5930 32.5113 178.0923 26 N 4.5589 8.3598 121.1699 55.6058 37.5387 177.1964 27 G 3.7712 7.6317 107.6316 48.2070 0.0000 175.5250 28 R 3.9568 8.0102 120.1521 59.2175 29.8532 178.6652 29 Q 3.9898 8.3877 118.6411 58.7968 28.3740 178.4118 30 V 3.2947 7.5430 119.2795 66.3058 31.3512 178.0024 31 L 4.1282 7.8453 118.2163 57.2652 41.5530 179.0908 32 A 4.1384 7.8247 120.4326 55.0960 18.2068 179.6929 33 R 3.4026 8.9203 116.9541 59.1391 30.0959 178.0120 34 R 4.3536 7.3973 116.9873 58.2971 30.7184 178.4157 35 R 3.9678 8.6722 118.9342 60.0587 30.3489 178.2528 36 A 3.9624 7.8506 121.8314 55.0811 18.4537 178.5837 37 K 3.8147 8.5141 118.1761 59.6177 33.3661 181.4867 38 G 4.0600 7.8191 115.0849 45.6675 0.0000 174.4113 39 R 4.5908 8.3219 120.9970 55.4366 31.8451 174.8576 40 A 3.9949 8.3639 120.4364 52.8135 18.6962 178.6477 41 R 3.9952 8.8314 122.3215 58.7463 30.3556 177.1708 42 L 4.2791 7.3313 113.5137 54.7865 44.5612 174.0038 43 T 4.4720 8.3269 116.3485 59.5185 69.0056 172.1290 44 V 4.4175 7.5718 118.6855 62.7732 34.5867 171.2155 45 S 4.4522 7.5085 121.2795 58.4622 67.9289 177.6250 46 K 4.1043 8.8602 120.8507 58.1580 32.1889 176.5193 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 8.30 4.34 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.49 3.65 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 3 R 8.24 4.28 0.00 1.90 1.93 0.00 3.43 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 4 T 8.00 4.28 4.29 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 1.24 0.00 0.00 5 F 8.00 4.54 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 3.51 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 7 P 0.00 4.19 0.00 2.06 1.77 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 8 S 8.77 4.00 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.91 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 0.78 0.00 0.00 0.92 0.00 0.00 10 L 7.67 4.29 0.00 1.71 1.77 0.91 0.40 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 11 K 7.48 4.12 0.00 1.74 1.83 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.35 7.81 12 R 7.10 4.05 0.00 2.00 1.81 0.00 3.26 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 1.50 1.57 0.00 13 N 8.00 4.83 0.00 2.72 2.77 0.00 0.00 7.70 7.65 0.00 0.00 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 R 7.76 4.45 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 15 S 8.66 4.57 0.00 3.88 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 16 H 7.48 4.49 0.00 3.04 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.82 4.53 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 18 F 7.27 4.02 0.00 3.35 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 19 R 7.72 3.69 0.00 2.11 2.26 0.00 2.98 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 20 A 7.67 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.11 0.00 2.05 2.07 0.00 3.33 0.00 0.00 3.25 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 22 M 9.21 3.95 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.77 0.00 23 A 7.45 4.10 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 24 T 7.39 3.94 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 25 K 8.27 3.81 0.00 1.86 1.70 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.52 7.81 26 N 8.36 4.56 0.00 2.99 3.08 0.00 0.00 5.82 6.93 0.00 0.00 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 G 7.63 3.77 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 0.00 0.00 0.00 28 R 8.01 3.96 0.00 2.06 1.95 0.00 3.28 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 29 Q 8.39 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 30 V 7.54 3.29 2.25 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 1.00 0.00 0.00 0.92 0.00 0.00 31 L 7.85 4.13 0.00 1.95 1.73 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.92 3.40 0.00 1.84 2.02 0.00 3.32 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 34 R 7.40 4.35 0.00 1.76 1.91 0.00 3.17 0.00 0.00 3.18 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 35 R 8.67 3.97 0.00 1.93 1.96 0.00 3.25 0.00 0.00 3.32 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 36 A 7.85 3.96 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 37 K 8.51 3.81 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.55 7.81 38 G 7.82 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 0.00 0.00 0.00 39 R 8.32 4.59 0.00 1.73 1.87 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 40 A 8.36 3.99 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 41 R 8.83 4.00 0.00 1.82 2.03 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 42 L 7.33 4.28 0.00 1.53 1.52 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.33 4.47 4.30 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 1.24 0.00 0.00 44 V 7.57 4.42 2.38 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 0.87 0.00 0.00 1.25 0.00 0.00 45 S 7.51 4.45 0.00 3.83 3.78 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 0.00 0.00 0.00 46 K 8.86 4.10 0.00 1.85 1.79 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.51 7.81