NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0508 8.0549 114.0186 61.1823 33.0263 174.4620 8 F 4.7584 8.7102 121.4976 54.0068 41.1142 175.0661 9 S 4.4830 10.1444 120.9545 58.1265 66.1034 175.3250 10 Q 4.0105 8.5906 121.0707 59.0337 28.5188 178.9929 11 A 4.0180 7.9094 121.5122 55.0462 18.5288 179.5279 12 Q 3.9102 8.1414 116.6922 59.0756 28.8029 178.9504 13 L 3.5933 7.8491 119.9958 57.7226 41.5929 179.3462 14 C 4.0456 7.9149 116.1972 62.8980 28.2404 176.1561 15 A 4.0738 7.7586 121.7499 54.7686 17.8153 179.7221 16 L 3.6778 7.6002 117.5666 57.8021 41.5727 179.7317 17 K 4.0211 7.7128 118.2274 59.6447 31.7850 178.7731 18 D 4.4049 8.1823 118.2592 57.7787 41.1250 178.9706 19 R 4.0996 7.8502 118.4522 59.2510 29.6759 178.1657 20 F 4.3447 9.0943 121.3338 61.1093 39.0722 176.9956 21 Q 3.4953 8.1143 116.4602 58.3144 28.5225 177.5653 22 K 4.2908 8.0046 120.7707 56.7164 32.5983 176.0698 23 Q 4.2848 6.7146 114.8421 55.4137 32.2609 174.4102 24 K 3.2585 8.7156 126.1243 58.0800 32.4217 176.5033 25 Y 4.6613 7.7735 115.5294 56.1295 39.2006 174.7904 26 L 5.0188 8.3285 124.5074 52.4650 43.2601 179.3730 27 S 4.4508 8.4081 116.9458 58.2319 65.0693 174.3657 28 L 3.9980 8.4112 121.1362 58.8775 42.1319 179.6358 29 Q 4.1003 8.0116 117.4325 59.2427 28.7623 178.7563 30 Q 4.1307 7.9309 118.4361 59.3692 28.7047 178.9338 31 M 4.0779 7.7154 119.4383 58.0851 31.9552 178.6422 32 Q 4.1840 7.9677 118.6202 59.2770 29.2799 178.1386 33 E 3.9719 8.1863 119.5791 59.2942 29.5079 179.0058 34 L 4.0261 8.0465 120.6717 58.1751 42.1505 179.1742 35 S 4.1845 8.3551 114.2692 61.5770 62.8014 176.5794 36 S 4.0668 8.1177 118.6361 61.4317 62.4326 176.3477 37 I 3.6779 7.9843 121.7642 64.5560 37.1069 177.7536 38 L 4.2650 7.9703 116.1795 53.6050 43.2305 176.0095 39 N 4.1495 7.9677 117.0242 53.7812 37.1368 172.4929 40 L 4.6888 8.6230 118.4783 51.8398 46.8875 177.0095 41 S 4.3945 9.2091 116.6536 58.2892 65.0438 174.5580 42 Y 4.1863 8.8170 124.5263 61.2898 38.3338 178.8699 43 K 3.9171 8.1262 119.7313 59.4257 32.4155 178.7071 44 Q 4.1015 7.8732 118.2085 58.8285 28.5376 178.7747 45 V 3.8061 7.6870 118.8506 66.1256 31.5532 177.4498 46 K 3.7132 7.8136 119.0722 60.1572 31.8429 178.2963 47 T 3.9152 8.3943 115.7934 66.6395 68.4468 176.1278 48 W 4.0446 8.5154 129.9014 60.5988 30.6480 178.0193 49 F 3.8256 9.0394 117.7127 60.6123 38.4471 177.3281 50 Q 4.0672 8.3745 117.8799 59.4669 28.3701 179.3837 51 N 4.1872 8.4282 115.9005 56.2128 38.7939 176.8244 52 Q 3.4464 7.4201 121.1138 59.1312 28.6935 178.8155 53 R 4.2942 8.0462 118.9452 59.3590 29.9596 178.4485 54 M 4.2749 7.8170 116.6807 57.0776 31.9637 178.1836 55 K 4.1316 7.7145 118.2726 57.7109 32.8442 177.0384 56 C 4.5212 7.5306 116.6425 57.6698 32.4094 174.9143 57 K 3.9067 8.8692 124.1189 59.6050 31.7968 179.2432 58 R 4.0424 7.7394 113.4036 58.1854 29.3555 177.0531 59 W 4.9211 7.7850 117.0778 56.8902 29.6104 176.2989 60 Q 4.4173 8.3740 123.8932 56.0250 28.3892 175.3005 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 7 V 8.05 4.05 2.11 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 0.93 0.00 0.00 0.90 0.00 0.00 8 F 8.71 4.76 0.00 2.96 2.91 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 0.00 0.00 0.00 9 S 10.14 4.48 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 10 Q 8.59 4.01 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 11 A 7.91 4.02 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 12 Q 8.14 3.91 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 13 L 7.85 3.59 0.00 1.76 1.59 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.91 4.05 0.00 3.10 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 15 A 7.76 4.07 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 16 L 7.60 3.68 0.00 0.77 0.13 -0.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.71 4.02 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.68 7.81 18 D 8.18 4.40 0.00 2.80 2.75 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 19 R 7.85 4.10 0.00 2.11 2.25 0.00 3.20 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 20 F 9.09 4.34 0.00 3.14 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 21 Q 8.11 3.50 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 22 K 8.00 4.29 0.00 1.82 1.87 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 23 Q 6.71 4.28 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.59 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 24 K 8.72 3.26 0.00 1.39 1.36 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.33 7.81 25 Y 7.77 4.66 0.00 2.93 2.84 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 26 L 8.33 5.02 0.00 1.18 1.41 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.41 4.45 0.00 4.08 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 28 L 8.41 4.00 0.00 1.74 1.71 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.01 4.10 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 30 Q 7.93 4.13 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 31 M 7.72 4.08 0.00 1.76 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 32 Q 7.97 4.18 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 33 E 8.19 3.97 0.00 2.22 1.99 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 2.34 2.46 0.00 34 L 8.05 4.03 0.00 1.93 1.82 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.36 4.18 0.00 4.45 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 0.00 36 S 8.12 4.07 0.00 4.11 3.96 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 37 I 7.98 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.91 0.00 0.00 38 L 7.97 4.26 0.00 1.84 1.71 0.90 0.95 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 39 N 7.97 4.15 0.00 2.79 2.80 0.00 0.00 6.92 7.68 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 40 L 8.62 4.69 0.00 1.59 1.51 1.04 0.76 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 41 S 9.21 4.39 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.82 4.19 0.00 3.01 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 43 K 8.13 3.92 0.00 1.96 1.83 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.57 7.81 44 Q 7.87 4.10 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 45 V 7.69 3.81 2.20 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 1.16 0.00 0.00 1.01 0.00 0.00 46 K 7.81 3.71 0.00 1.47 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 47 T 8.39 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 48 W 8.52 4.04 0.00 3.62 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 3.83 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 50 Q 8.37 4.07 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 51 N 8.43 4.19 0.00 2.31 2.66 0.00 0.00 7.05 8.28 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 52 Q 7.42 3.45 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 53 R 8.05 4.29 0.00 1.93 2.00 0.00 2.30 0.00 0.00 2.60 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 54 M 7.82 4.27 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 55 K 7.71 4.13 0.00 1.84 1.73 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.59 7.81 56 C 7.53 4.52 0.00 2.14 2.22 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 0.00 0.00 0.00 0.00 57 K 8.87 3.91 0.00 1.80 1.85 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.51 7.81 58 R 7.74 4.04 0.00 1.90 1.99 0.00 2.82 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.40 0.00 59 W 7.78 4.92 0.00 3.61 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 60 Q 8.37 4.42 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00