NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7094 8.1449 118.9054 56.3003 39.3445 174.1971 2 N 4.4013 8.7710 118.5414 52.8175 38.9136 174.7962 3 R 4.0332 8.7272 122.0990 58.9333 31.9006 177.6221 4 L 3.9791 7.9229 119.6751 57.7966 42.5295 176.9116 5 C 4.7221 8.1002 110.4884 56.2853 41.6034 175.0021 6 I 3.6069 7.2725 121.3213 62.1835 37.2511 172.9652 7 K 2.9448 7.5273 127.7039 54.7773 32.5722 173.9907 8 P 4.3719 0.0000 0.0000 61.8868 33.3344 175.4949 9 R 4.2052 8.3770 117.4559 59.0466 30.4118 177.5262 10 D 4.8244 7.7866 119.3225 51.5657 37.9369 175.9928 11 W 5.0219 7.9697 116.7139 56.7065 30.8332 173.1331 12 I 2.9012 7.6222 124.6830 61.5014 32.9932 172.0567 13 D 4.4228 7.9897 124.6543 53.9424 40.7778 176.4783 14 E 5.0860 7.5643 116.4759 55.0424 29.6537 175.1280 15 C 4.4083 9.4796 123.8866 58.5288 42.4027 175.1387 16 D 3.7114 8.0721 116.0214 53.0452 39.0637 175.1109 17 S 4.2791 7.7662 113.7378 61.9840 62.7169 175.9232 18 N 4.4405 7.9440 117.6507 55.2912 38.4335 176.3077 19 E 4.0431 8.3261 118.8356 57.7734 29.7253 175.6894 20 G 4.5384 7.6865 106.6073 45.7422 0.0000 172.0696 21 G 4.3610 8.3333 117.5117 44.5999 0.0000 170.1371 22 E 4.2416 7.9272 121.7924 55.4511 30.8002 175.5266 23 R 4.1914 8.3315 127.1471 55.3235 31.0198 175.2300 24 A 4.7049 8.9185 127.4820 50.1242 21.4589 174.5308 25 Y 4.7633 8.8338 121.8284 57.3004 39.0419 175.5193 26 F 5.3509 9.1875 122.4253 55.3453 43.7491 174.3571 27 R 4.5319 8.6305 120.1915 56.4005 29.4254 176.3859 28 N 4.4940 9.2380 122.5259 54.3024 37.5525 174.8730 29 G 3.8282 7.1489 114.0067 45.1318 0.0000 174.4380 30 K 3.9729 8.9411 120.7407 57.9671 33.3387 178.1907 31 G 4.4127 7.2739 109.6173 43.8638 0.0000 170.4353 32 G 4.6973 7.1419 114.0099 46.1657 0.0000 169.5138 33 C 5.3767 8.8045 124.3655 55.7093 42.9430 172.8992 34 D 5.0635 9.2895 125.0774 52.5979 42.8273 176.1599 35 S 4.2028 8.2094 118.4723 57.5945 63.2877 173.2969 36 F 4.6592 9.3974 125.4583 56.4236 40.9362 175.5110 37 W 5.0748 8.7848 122.7474 55.8068 29.2960 177.3421 38 I 3.3979 8.6637 126.3738 64.9435 36.6248 176.9092 39 C 4.1683 8.3071 117.7614 56.4831 41.0111 172.4763 40 P 4.1697 0.0000 0.0000 65.7169 31.0583 177.6729 41 E 4.0484 8.0739 114.1310 58.9948 29.8157 177.5629 42 D 4.4497 7.5980 118.7627 56.8149 41.3672 176.2832 43 H 4.4229 7.9598 111.0479 53.7481 28.7773 175.8075 44 T 3.2196 7.6159 115.4117 62.1359 67.2116 172.6605 45 G 3.9307 8.2866 108.9507 44.6377 0.0000 172.0424 46 A 4.3947 7.8389 124.5164 53.8565 23.5825 173.2277 47 D 4.6025 8.1356 124.2271 54.3684 39.0219 173.2054 48 Y 4.5838 8.0882 125.9495 57.8636 37.0549 173.5704 49 Y 3.7688 7.5650 123.1812 58.7391 35.1728 170.6416 50 S 5.1130 7.9218 116.2483 56.5690 64.2151 175.4675 51 S 4.0631 7.2532 113.3582 57.0519 66.5852 173.6694 52 Y 3.5602 7.4043 123.8551 60.6565 38.5708 178.3441 53 R 3.9390 7.8980 119.0979 59.5192 30.2253 177.9875 54 D 4.3661 8.0943 118.4832 57.6069 40.8282 177.9569 55 C 3.9251 7.9096 118.3719 59.6297 38.5626 175.3976 56 F 3.6475 8.2325 122.4306 61.0913 38.6658 176.8557 57 N 4.3304 8.0874 115.0405 56.2763 38.6337 177.0260 58 A 4.1096 8.0817 122.0451 55.0504 18.2748 178.7092 59 C 4.0047 7.7693 113.2867 59.0435 41.0110 174.1069 60 I 3.4176 6.6686 124.0639 61.2269 36.6034 175.7058 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 Y 8.14 4.71 0.00 3.10 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 2 N 8.77 4.40 0.00 2.78 2.87 0.00 0.00 7.05 6.78 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 3 R 8.73 4.03 0.00 1.75 1.91 0.00 3.13 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 4 L 7.92 3.98 0.00 1.62 1.80 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.10 4.72 0.00 2.72 2.04 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 I 7.27 3.61 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.85 0.00 0.00 7 K 7.53 2.94 0.00 0.79 0.86 0.00 0.80 0.00 0.00 0.74 0.00 0.00 2.60 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 0.21 7.81 8 P 0.00 4.37 0.00 2.06 1.85 0.00 2.48 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 9 R 8.38 4.21 0.00 1.76 1.98 0.00 3.32 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 10 D 7.79 4.82 0.00 2.88 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 11 W 7.97 5.02 0.00 3.55 3.09 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 12 I 7.62 2.90 1.62 0.00 0.00 0.81 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 0.34 0.83 0.00 0.00 13 D 7.99 4.42 0.00 3.13 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 14 E 7.56 5.09 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 15 C 9.48 4.41 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 3.71 0.00 2.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.77 4.28 0.00 4.04 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 18 N 7.94 4.44 0.00 2.66 2.89 0.00 0.00 6.85 7.66 0.00 0.00 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 E 8.33 4.04 0.00 1.95 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 2.35 2.28 0.00 20 G 7.69 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 4.36 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 0.00 22 E 7.93 4.24 0.00 2.09 1.88 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 1.99 2.31 0.00 23 R 8.33 4.19 0.00 1.55 1.40 0.00 2.28 0.00 0.00 2.95 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 24 A 8.92 4.70 1.38 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 0.00 0.00 25 Y 8.83 4.76 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 5.35 0.00 3.07 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 27 R 8.63 4.53 0.00 1.70 1.78 0.00 2.86 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 28 N 9.24 4.49 0.00 2.93 3.21 0.00 0.00 6.83 6.74 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 29 G 7.15 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 0.00 0.00 0.00 30 K 8.94 3.97 0.00 1.87 1.96 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.41 7.81 31 G 7.27 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.14 4.70 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 33 C 8.80 5.38 0.00 2.16 3.09 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 34 D 9.29 5.06 0.00 2.79 2.43 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 0.00 35 S 8.21 4.20 0.00 2.91 2.63 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 0.00 0.00 0.00 0.00 36 F 9.40 4.66 0.00 3.59 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 37 W 8.78 5.07 0.00 3.26 3.16 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 38 I 8.66 3.40 1.85 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.54 0.00 0.00 39 C 8.31 4.17 0.00 2.99 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.04 2.15 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 41 E 8.07 4.05 0.00 2.04 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 2.26 2.34 0.00 42 D 7.60 4.45 0.00 2.46 2.69 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 0.00 0.00 0.00 43 H 7.96 4.42 0.00 1.96 3.13 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.62 3.22 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 1.35 0.00 0.00 45 G 8.29 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.84 4.39 1.46 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 0.00 0.00 47 D 8.14 4.60 0.00 2.81 2.77 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 48 Y 8.09 4.58 0.00 3.26 3.15 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 49 Y 7.57 3.77 0.00 3.14 2.90 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 50 S 7.92 5.11 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 51 S 7.25 4.06 0.00 3.84 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 52 Y 7.40 3.56 0.00 2.71 2.76 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 0.00 0.00 0.00 0.00 53 R 7.90 3.94 0.00 1.95 1.89 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 54 D 8.09 4.37 0.00 2.82 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 55 C 7.91 3.93 0.00 3.02 3.07 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 0.00 0.00 0.00 56 F 8.23 3.65 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.09 4.33 0.00 2.82 2.89 0.00 0.00 7.03 7.45 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 58 A 8.08 4.11 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 59 C 7.77 4.00 0.00 2.77 2.70 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 60 I 6.67 3.42 0.56 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 0.46 -0.32 0.19 0.00 0.00