NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1825 8.1801 122.4917 54.8577 42.8950 175.6081 2 A 4.4763 8.6172 129.3326 49.7579 20.7502 173.5167 3 A 4.7840 8.5897 125.2809 50.2451 23.2692 173.3743 4 V 4.2852 8.2767 119.4798 61.3499 32.5095 175.3464 5 S 4.8460 8.5268 120.3740 56.5987 66.3326 172.9471 6 V 4.4461 8.1755 119.2053 60.9469 33.6184 173.9423 7 D 4.6932 8.8520 126.8597 53.9731 41.5630 176.3569 8 C 5.1000 8.7180 124.0826 56.8665 40.8028 175.1877 9 S 4.1256 8.7190 117.0902 60.4903 62.9566 174.3136 10 E 4.5009 8.1802 119.6716 56.4195 29.5268 175.1160 11 Y 4.5928 7.6137 115.2356 55.1975 41.3886 173.8897 12 P 4.7265 0.0000 0.0000 62.4671 31.9586 175.6818 13 K 4.5922 8.3556 118.3770 53.7812 34.8157 175.8978 14 P 4.3717 0.0000 0.0000 65.0095 31.5532 175.8775 15 A 4.7633 7.3447 120.5132 50.8544 22.3083 174.2717 16 C 5.1831 8.3664 116.1465 54.0481 43.6557 172.5894 17 P 4.6128 0.0000 0.0000 63.1683 31.5149 175.9085 18 K 4.6657 8.1830 115.7819 55.9348 32.6430 176.8326 19 D 4.5021 8.2261 117.9397 55.1521 41.2340 176.6384 20 Y 4.7831 8.3285 124.0878 56.2061 38.3467 174.7292 21 R 4.5867 8.3905 124.9161 52.8393 30.7945 172.5084 22 P 4.8175 0.0000 0.0000 62.7301 33.4592 176.5566 23 V 4.4651 8.7373 120.8911 61.2327 35.0714 173.2376 24 C 5.0026 8.8482 128.6625 55.2298 46.1111 173.4364 25 G 4.5349 9.1914 114.6407 45.5631 0.0000 174.2129 26 S 4.5471 9.0556 114.4455 59.2638 63.1054 174.5728 27 D 4.6350 8.1101 119.8104 52.9340 39.6146 175.7953 28 N 4.2348 8.0212 115.8946 54.4485 36.8376 173.3921 29 K 4.4928 8.0247 118.4702 54.9354 34.5291 174.6719 30 T 4.7601 8.3056 121.8803 61.4595 68.5564 172.9973 31 Y 4.7808 8.9615 127.0611 56.1696 40.0823 177.2802 32 S 4.2303 9.0612 118.5373 60.6240 63.9663 173.0974 33 N 5.4872 7.8483 118.9976 51.4434 40.8311 174.5854 34 K 3.8710 8.7354 120.7615 60.0831 31.8407 178.8810 35 C 4.1742 8.2516 117.8534 59.7769 38.5065 175.0356 36 N 4.3121 8.5953 118.1134 56.2697 38.0756 177.1957 37 F 3.3540 8.2510 121.8997 61.4188 39.5217 176.6627 38 C 3.7678 8.2652 116.2677 59.4419 39.5524 175.8429 39 N 4.2463 7.8781 117.6990 56.0101 38.4307 176.9927 40 A 4.0106 7.6226 121.9992 54.9141 18.5577 179.5751 41 V 3.1738 7.2732 117.1586 66.2832 31.3111 178.2855 42 V 3.8517 7.4710 108.5289 62.4354 31.6393 176.7956 43 E 4.5050 7.7986 118.0264 56.0285 30.4070 176.2457 44 S 4.5583 7.7509 113.0327 57.6955 63.3336 173.6369 45 N 3.9018 9.3599 117.4186 54.4912 35.1626 175.2710 46 G 4.0058 8.2438 106.9179 45.5663 0.0000 176.2685 47 T 3.9970 7.5786 108.9633 63.1095 69.1254 174.1967 48 L 4.5908 7.1300 121.8230 53.3213 43.5089 174.9101 49 T 4.8668 8.3168 117.1351 60.0202 72.4584 171.6166 50 L 4.3332 8.5565 122.9283 54.9606 42.5925 176.1562 51 N 4.7155 8.6482 126.3536 55.0221 39.1133 174.3355 52 H 4.6896 7.1157 111.2973 54.4260 32.2215 171.9992 53 F 4.3858 8.5560 117.8042 58.0723 39.5344 176.2215 54 G 3.9659 8.8505 110.3189 44.4127 0.0000 173.2793 55 K 4.2368 7.9961 117.3820 56.2653 33.4670 177.8679 56 C 4.5198 8.5884 116.3881 57.5087 41.1209 173.8114 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 L 8.18 4.18 0.00 1.61 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.62 4.48 1.26 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 0.00 0.00 0.00 3 A 8.59 4.78 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 4 V 8.28 4.29 2.18 0.00 0.00 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 0.98 0.00 0.00 5 S 8.53 4.85 0.00 4.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.18 4.45 2.21 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 0.96 0.00 0.00 0.96 0.00 0.00 7 D 8.85 4.69 0.00 2.74 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 8 C 8.72 5.10 0.00 2.94 2.97 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 9 S 8.72 4.13 0.00 3.99 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 10 E 8.18 4.50 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 11 Y 7.61 4.59 0.00 3.12 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 12 P 0.00 4.73 0.00 2.21 2.09 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 8.36 4.59 0.00 1.86 1.82 0.00 1.06 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 0.98 7.81 14 P 0.00 4.37 0.00 2.18 2.19 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 15 A 7.34 4.76 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 16 C 8.37 5.18 0.00 3.00 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 17 P 0.00 4.61 0.00 2.48 2.11 0.00 3.82 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 2.06 2.04 0.00 18 K 8.18 4.67 0.00 1.79 1.89 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 19 D 8.23 4.50 0.00 2.69 2.65 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 20 Y 8.33 4.78 0.00 2.90 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 21 R 8.39 4.59 0.00 1.72 1.72 0.00 3.18 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 22 P 0.00 4.82 0.00 2.05 1.95 0.00 3.28 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 0.00 23 V 8.74 4.47 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.80 0.00 0.00 24 C 8.85 5.00 0.00 2.93 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.19 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 26 S 9.06 4.55 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.63 0.00 2.86 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 28 N 8.02 4.23 0.00 2.90 2.94 0.00 0.00 6.72 7.19 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 29 K 8.02 4.49 0.00 1.81 1.92 0.00 1.50 0.00 0.00 1.31 0.00 0.00 2.42 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.66 1.11 7.81 30 T 8.31 4.76 4.28 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 1.21 0.00 0.00 31 Y 8.96 4.78 0.00 3.17 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 32 S 9.06 4.23 0.00 4.23 4.28 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 33 N 7.85 5.49 0.00 3.01 3.11 0.00 0.00 6.34 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.74 3.87 0.00 1.91 1.94 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.57 7.81 35 C 8.25 4.17 0.00 3.21 3.39 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 36 N 8.60 4.31 0.00 3.14 3.09 0.00 0.00 6.72 7.55 0.00 0.00 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 F 8.25 3.35 0.00 2.87 3.01 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 38 C 8.27 3.77 0.00 1.65 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 0.00 0.00 0.00 0.00 39 N 7.88 4.25 0.00 2.87 2.89 0.00 0.00 6.97 7.25 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 40 A 7.62 4.01 1.16 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 0.00 0.00 41 V 7.27 3.17 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 -0.14 0.00 0.00 42 V 7.47 3.85 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 0.79 0.00 0.00 1.01 0.00 0.00 43 E 7.80 4.50 0.00 2.13 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 2.22 2.31 0.00 44 S 7.75 4.56 0.00 4.07 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 45 N 9.36 3.90 0.00 2.80 2.88 0.00 0.00 7.27 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 46 G 8.24 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 47 T 7.58 4.00 4.23 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 1.21 0.00 0.00 48 L 7.13 4.59 0.00 1.52 1.45 1.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.32 4.87 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 1.20 0.00 0.00 50 L 8.56 4.33 0.00 1.65 1.53 0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.65 4.72 0.00 2.83 2.71 0.00 0.00 7.03 7.99 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 52 H 7.12 4.69 0.00 3.23 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.56 4.39 0.00 3.02 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 54 G 8.85 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 0.00 0.00 0.00 55 K 8.00 4.24 0.00 1.92 1.88 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 56 C 8.59 4.52 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00