NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 2.4400 8.0433 122.3896 54.4854 43.7599 178.7503 3 Q 3.8836 7.7885 116.1977 57.8340 28.6364 176.3053 4 L 4.6140 8.3654 116.4070 53.8994 43.7193 176.2109 5 W 4.5608 8.5127 121.8492 56.8006 29.6172 176.6279 6 S 5.0139 9.4248 119.5723 57.1502 65.6073 175.2485 7 K 4.7428 8.1269 121.4098 59.5198 32.1282 178.9813 8 F 4.2724 7.6178 118.9139 60.3228 38.8634 177.4435 9 D 4.1646 8.0825 118.3162 57.0401 40.5610 178.6856 10 V 3.9044 7.8870 118.9395 65.9913 31.6097 178.2046 11 G 3.6837 8.0895 105.3988 48.1653 0.0000 175.3136 12 D 4.3839 8.2581 121.7126 56.6590 40.8416 178.8065 13 W 4.1602 8.1110 130.2617 59.8275 30.6498 178.0268 14 L 3.4047 8.1947 119.0947 57.6014 40.9420 179.3393 15 E 3.8104 8.0853 118.6884 59.4174 29.0550 179.5870 16 S 4.0431 8.1019 114.4110 60.3485 62.5455 175.3620 17 I 4.0232 6.6687 114.6880 60.2430 38.4415 174.9129 18 H 4.0428 7.7264 114.6359 58.0938 26.6688 175.1065 19 L 4.6525 8.1263 116.9328 53.8855 42.6625 179.2683 20 G 3.6835 8.1767 108.2630 47.6455 0.0000 175.2136 21 E 4.0993 8.0503 117.9728 58.6523 29.9872 177.5437 22 H 4.8964 8.2695 116.7471 55.9248 29.4748 176.7717 23 R 3.9275 7.6492 118.7516 59.4281 29.0719 178.5986 24 D 4.4011 8.0972 119.0728 57.2059 41.0626 178.5954 25 R 4.0405 8.1186 118.7427 59.3972 30.1785 178.4165 26 F 4.1297 8.6513 117.8960 60.3950 38.8782 177.2633 27 E 3.9198 8.8309 119.5132 59.3608 29.2544 178.3489 28 D 4.3694 8.3729 117.3571 57.3215 41.3184 176.9675 29 H 4.4707 7.9081 113.6551 54.4387 29.7109 174.8763 30 E 3.7715 8.0068 119.6502 57.3322 27.6136 175.5818 31 I 4.0818 7.9648 119.4850 61.0672 38.2675 176.2476 32 E 4.9027 8.3244 124.4326 54.1183 32.4194 177.0360 33 G 3.6966 8.6224 106.8045 48.3607 0.0000 175.9556 34 A 3.9605 7.8220 121.2076 55.0159 18.6276 178.9199 35 H 4.3806 8.2199 114.9217 58.3991 28.8040 177.5175 36 L 4.0044 7.7585 121.0629 57.6682 41.3473 177.9611 37 P 4.2427 0.0000 0.0000 65.0425 31.4014 177.1452 38 A 4.3752 7.6648 118.7928 52.1169 19.2580 177.4930 39 L 3.9574 7.5340 117.0272 54.7343 42.1012 177.5379 40 T 4.5543 8.1829 113.6207 59.7269 72.3674 175.7668 41 K 4.1707 8.4972 120.8621 59.9302 32.1335 178.2945 42 E 4.0156 8.1774 118.2903 59.3931 29.3237 178.9828 43 D 4.1918 7.8109 118.4742 57.3622 40.8638 178.7003 44 F 4.2011 8.2689 118.6513 60.6593 38.8244 177.9521 45 V 3.6892 8.1047 117.8660 65.9623 31.1066 177.6974 46 E 3.9129 7.9221 118.2010 59.0551 29.5644 178.0362 47 L 4.1176 7.8569 116.6303 54.9807 41.7839 177.8322 48 G 4.0093 8.2146 108.0055 45.4965 0.0000 175.1252 49 V 4.0177 7.8973 121.6626 61.7831 29.7196 175.4786 50 T 4.2301 7.9101 112.2539 62.1135 70.1749 176.4230 51 R 4.3391 7.6811 122.8092 54.7837 31.7308 176.7366 52 V 3.6386 8.5506 123.5843 66.3035 31.4069 178.1677 53 G 3.6530 8.0511 104.6180 48.2213 0.0000 175.2108 54 H 4.2222 8.0925 117.9768 58.6879 28.7566 177.8712 55 R 3.4481 7.7999 119.7533 59.2515 29.7466 179.0289 56 E 3.9240 8.4222 118.6003 59.4217 29.3429 179.1724 57 N 4.3279 8.2801 116.7104 56.0936 38.4508 177.6272 58 I 3.6871 7.8789 121.3837 64.5155 37.0685 178.1398 59 E 4.0766 8.1311 118.1907 59.5812 29.6095 179.2703 60 R 4.0544 8.4330 118.6678 59.3800 29.9644 178.4062 61 A 4.1604 8.1527 119.6550 55.3006 18.5129 179.3128 62 L 4.0321 8.3235 116.7625 56.4034 41.7053 177.7202 63 R 4.4109 7.9825 121.8821 56.3566 30.5050 175.6582 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 2 L 8.04 2.44 0.00 1.12 1.23 0.54 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.79 3.88 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 4 L 8.37 4.61 0.00 1.71 1.75 0.95 0.92 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 5 W 8.51 4.56 0.00 3.47 3.04 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 6 S 9.42 5.01 0.00 4.10 4.14 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 7 K 8.13 4.74 0.00 1.81 1.99 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.89 0.21 7.81 8 F 7.62 4.27 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.16 0.00 2.75 1.86 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.90 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 1.23 0.00 0.00 11 G 8.09 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 0.00 0.00 0.00 0.00 12 D 8.26 4.38 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.11 4.16 0.00 3.03 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.40 0.00 1.72 1.60 0.12 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.09 3.81 0.00 2.18 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 2.27 2.41 0.00 16 S 8.10 4.04 0.00 3.97 4.15 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 17 I 6.67 4.02 1.59 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.28 0.55 0.00 0.00 18 H 7.73 4.04 0.00 3.21 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.13 4.65 0.00 1.46 1.48 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.18 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 0.00 0.00 0.00 0.00 21 E 8.05 4.10 0.00 2.05 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 0.00 2.03 1.92 0.00 22 H 8.27 4.90 0.00 3.09 3.43 0.00 5.62 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 23 R 7.65 3.93 0.00 2.05 2.14 0.00 2.77 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 24 D 8.10 4.40 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 4.04 0.00 2.05 2.15 0.00 3.33 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 26 F 8.65 4.13 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.92 0.00 2.14 2.16 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 2.27 2.11 0.00 28 D 8.37 4.37 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.91 4.47 0.00 3.21 3.22 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.01 3.77 0.00 2.07 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 2.36 2.24 0.00 31 I 7.96 4.08 2.10 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 1.05 0.00 0.00 32 E 8.32 4.90 0.00 1.62 1.89 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 2.25 2.34 0.00 33 G 8.62 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.96 1.25 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 0.00 0.00 0.00 35 H 8.22 4.38 0.00 3.30 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.76 4.00 0.00 1.66 1.76 0.63 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.24 0.00 1.99 2.08 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 38 A 7.66 4.38 1.23 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 0.00 0.00 39 L 7.53 3.96 0.00 1.16 0.53 0.53 0.50 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 40 T 8.18 4.55 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 1.22 0.00 0.00 41 K 8.50 4.17 0.00 1.94 1.91 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.61 7.81 42 E 8.18 4.02 0.00 2.08 1.97 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 2.40 2.47 0.00 43 D 7.81 4.19 0.00 2.62 2.36 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 44 F 8.27 4.20 0.00 3.25 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 45 V 8.10 3.69 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 1.10 0.00 0.00 1.01 0.00 0.00 46 E 7.92 3.91 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 47 L 7.86 4.12 0.00 1.64 1.34 -0.03 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.21 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 0.00 0.00 0.00 49 V 7.90 4.02 2.36 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 0.76 0.00 0.00 1.18 0.00 0.00 50 T 7.91 4.23 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 1.25 0.00 0.00 51 R 7.68 4.34 0.00 1.60 1.76 0.00 2.79 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 52 V 8.55 3.64 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 1.12 0.00 0.00 0.92 0.00 0.00 53 G 8.05 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.09 4.22 0.00 3.32 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.80 3.45 0.00 1.88 1.60 0.00 2.84 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.70 0.00 56 E 8.42 3.92 0.00 2.09 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 2.51 2.47 0.00 57 N 8.28 4.33 0.00 2.79 2.78 0.00 0.00 7.01 6.79 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 58 I 7.88 3.69 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 1.38 0.00 0.00 59 E 8.13 4.08 0.00 2.07 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 0.00 2.44 2.47 0.00 60 R 8.43 4.05 0.00 2.00 2.11 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 61 A 8.15 4.16 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.32 4.03 0.00 1.93 1.81 1.30 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.98 4.41 0.00 1.95 2.18 0.00 3.41 0.00 0.00 3.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00