NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5558 8.1833 119.4242 57.2687 40.9125 176.8159 2 L 3.8725 8.9333 125.5319 58.0918 42.2849 177.0141 3 D 4.4625 8.3350 118.6971 57.3095 41.1973 178.5826 4 G 3.4866 7.9931 105.7399 47.7919 0.0000 175.6703 5 I 3.5828 7.5969 121.8221 63.9425 36.8512 177.9508 6 D 4.3706 7.8001 118.0078 57.4165 41.1582 178.2828 7 K 4.1120 7.5564 117.0843 59.3512 32.1213 179.0113 8 A 3.9065 7.5919 120.3044 53.7851 18.5656 178.1999 9 Q 4.0911 8.2523 119.6087 56.4742 30.2060 175.3112 10 E 4.3930 8.2412 125.8156 56.0820 32.1909 174.0733 11 E 4.3072 8.5905 117.3769 56.0594 30.5958 177.0784 12 H 4.1372 8.4042 121.5061 55.9394 28.2222 175.2161 13 E 4.7707 7.5046 125.3644 55.0138 31.8864 177.0715 14 K 4.0939 8.6117 117.9106 60.5225 31.8784 178.5922 15 Y 3.9824 7.9828 116.1190 61.3794 37.8967 177.8008 16 H 4.4201 7.8968 115.0621 58.7571 28.8534 177.6323 17 S 4.5421 8.0270 114.5542 60.6044 63.9240 175.2674 18 N 4.5991 7.8555 125.1619 50.9302 37.8213 175.5746 19 W 4.4400 8.2748 124.1483 59.1995 28.5939 178.4046 20 R 3.0840 6.5163 118.4640 58.6512 29.2874 178.4900 21 A 3.9529 7.3610 119.3847 55.3948 18.4254 179.3114 22 M 4.1697 8.2486 115.9746 58.8622 32.3250 178.0694 23 A 4.1969 8.2511 120.9515 55.3463 18.6962 179.6194 24 S 4.0455 8.2498 111.7101 61.4472 62.2494 175.7820 25 D 4.2238 8.3985 120.3350 56.7522 41.0501 177.3454 26 F 4.4824 8.1456 114.7645 56.0363 39.9504 175.1759 27 N 4.2561 7.8189 114.8140 54.6133 36.5699 173.9474 28 L 4.8429 7.9384 115.9903 51.8472 44.9123 175.4613 29 P 4.4951 0.0000 0.0000 61.9492 32.1507 175.7783 30 P 4.3101 0.0000 0.0000 65.4992 31.2076 178.8874 31 V 3.4444 7.8165 117.5353 66.0274 31.3310 178.1704 32 V 3.5490 7.6863 117.1811 65.8118 31.4150 177.6050 33 A 4.0287 7.9249 120.0682 55.1909 18.2948 179.5449 34 K 3.5300 8.2249 117.3113 59.3900 31.9468 179.1045 35 E 3.8623 7.9148 119.0881 59.3573 29.4259 178.9737 36 I 3.6539 7.4976 119.9012 64.3221 36.9045 178.5774 37 V 3.5594 7.3845 117.6207 65.9005 31.4079 177.6619 38 A 4.1107 7.8337 119.7581 55.2262 18.2675 179.5389 39 S 4.3825 8.1042 113.1245 60.5135 63.2529 174.4707 40 C 4.3325 8.1886 123.8531 58.7871 31.6117 173.5780 41 D 4.3997 8.8673 128.3759 57.4782 40.2106 178.8356 42 K 3.9644 7.9404 117.5187 59.7435 32.1615 178.6884 43 C 4.4217 8.0038 115.3644 63.0219 28.2860 174.5693 44 Q 4.1027 8.1144 121.6847 57.3419 28.9371 175.5023 45 L 4.1380 7.6590 121.4435 54.6448 42.1201 176.4878 46 K 4.0984 7.9950 123.3820 57.6168 32.8053 180.5786 47 G 3.9967 7.6257 114.2062 44.5178 0.0000 172.5702 48 E 4.2303 8.4418 116.1110 55.4214 31.3577 176.3313 49 A 4.1044 8.6443 124.9049 54.1256 17.9455 178.8849 50 M 4.3990 8.6249 113.7622 53.6519 33.1602 177.7733 51 H 4.8417 8.1959 114.0581 55.4579 30.8548 177.1503 52 G 3.7591 8.7547 111.3622 45.8505 0.0000 176.0411 53 Q 4.4648 8.7228 113.3180 54.4074 32.0997 174.4306 54 V 4.1312 8.1720 118.8058 61.5080 32.5697 175.3272 55 D 4.4867 8.6584 125.6102 54.5204 41.1047 175.6208 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 F 8.18 4.56 0.00 3.11 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 2 L 8.93 3.87 0.00 1.80 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.34 4.46 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 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 0.00 0.00 0.00 5 I 7.60 3.58 2.01 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 1.35 0.93 0.87 0.00 0.00 6 D 7.80 4.37 0.00 2.67 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 7 K 7.56 4.11 0.00 1.63 1.92 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 8 A 7.59 3.91 0.88 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 0.00 0.00 9 Q 8.25 4.09 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 10 E 8.24 4.39 0.00 1.93 1.73 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 2.20 2.39 0.00 11 E 8.59 4.31 0.00 2.00 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 2.32 2.30 0.00 12 H 8.40 4.14 0.00 3.09 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.50 4.77 0.00 2.20 1.93 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 2.35 2.48 0.00 14 K 8.61 4.09 0.00 1.60 1.68 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 Y 7.98 3.98 0.00 3.07 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 16 H 7.90 4.42 0.00 3.20 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.03 4.54 0.00 4.03 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 18 N 7.86 4.60 0.00 2.68 2.65 0.00 0.00 6.70 7.24 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 19 W 8.27 4.44 0.00 3.64 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 20 R 6.52 3.08 0.00 1.24 1.49 0.00 2.70 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.36 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.17 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.83 0.00 23 A 8.25 4.20 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.05 0.00 3.91 3.99 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 0.00 0.00 0.00 25 D 8.40 4.22 0.00 2.61 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 26 F 8.15 4.48 0.00 3.13 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 27 N 7.82 4.26 0.00 2.90 2.89 0.00 0.00 6.76 7.39 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 28 L 7.94 4.84 0.00 1.65 1.53 0.85 1.07 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 29 P 0.00 4.50 0.00 2.23 2.19 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 30 P 0.00 4.31 0.00 2.12 1.99 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 31 V 7.82 3.44 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 0.96 0.00 0.00 0.92 0.00 0.00 32 V 7.69 3.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.80 0.00 0.00 33 A 7.92 4.03 1.54 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 34 K 8.22 3.53 0.00 1.57 1.61 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.45 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.67 0.75 7.81 35 E 7.91 3.86 0.00 1.97 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 2.28 2.49 0.00 36 I 7.50 3.65 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.84 0.00 0.00 37 V 7.38 3.56 2.15 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 0.76 0.00 0.00 1.01 0.00 0.00 38 A 7.83 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.38 0.00 3.96 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 40 C 8.19 4.33 0.00 2.99 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 41 D 8.87 4.40 0.00 2.73 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 42 K 7.94 3.96 0.00 1.56 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.36 7.81 43 C 8.00 4.42 0.00 3.16 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 44 Q 8.11 4.10 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 45 L 7.66 4.14 0.00 1.72 1.59 0.92 0.78 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 46 K 8.00 4.10 0.00 1.76 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 G 7.63 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.23 0.00 2.17 2.09 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 2.37 2.32 0.00 49 A 8.64 4.10 1.22 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 0.00 0.00 50 M 8.62 4.40 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 51 H 8.20 4.84 0.00 3.32 3.45 0.00 5.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.75 3.76 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 0.00 0.00 0.00 53 Q 8.72 4.46 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 54 V 8.17 4.13 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 0.77 0.00 0.00 0.98 0.00 0.00 55 D 8.66 4.49 0.00 2.66 2.53 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