NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4722 8.3049 120.3540 55.2389 33.5547 175.3793 2 D 4.2084 8.8532 126.0637 56.4483 41.0897 171.7986 3 V 3.7587 8.5213 120.4935 62.9412 32.7735 175.5397 4 V 3.3279 8.3530 121.4297 62.5649 28.5284 172.9005 5 D 4.4171 7.8713 122.1665 57.2607 42.2898 178.3210 6 S 4.2654 8.1966 114.9368 61.6814 62.8265 176.6138 7 L 4.0565 7.8540 121.1271 57.6353 41.5310 178.6257 8 L 4.4471 7.6991 115.1440 55.5979 41.2803 178.1764 9 V 4.0750 7.2393 109.8583 62.8704 33.3295 176.2006 10 N 4.4744 7.9224 120.3805 55.5805 37.1189 174.3641 11 G 4.1354 8.0999 120.5869 41.1895 0.0000 173.3087 12 S 4.1481 7.7683 117.6566 58.6679 63.1327 170.0669 13 N 4.4971 8.2511 118.4422 52.6388 40.2309 175.4222 14 I 3.7670 7.8788 115.9493 62.6709 37.5931 176.1216 15 T 4.1117 7.6861 113.3402 60.3993 69.1420 172.5256 16 P 4.3593 0.0000 0.0000 61.4515 32.0901 174.5244 17 P 4.3610 0.0000 0.0000 62.9087 31.7479 177.2836 18 C 4.7147 8.6406 119.1858 55.3551 42.2261 172.9669 19 E 4.6335 8.7946 125.7941 54.0911 30.5498 174.6892 20 L 4.7138 8.5064 128.6076 52.8853 43.8596 177.1762 21 G 3.8433 8.8728 115.3667 48.5943 0.0000 174.1478 22 L 4.0553 8.1927 120.8651 57.8085 42.1176 177.0764 23 E 4.1536 7.4793 118.6476 56.0741 29.6654 175.8455 24 N 4.3528 8.3008 124.6124 55.4927 39.2622 175.2538 25 E 4.1124 7.7502 128.3997 55.5079 29.0202 176.7250 26 T 3.9726 8.0585 118.3038 60.3511 67.6856 174.1673 27 L 4.4735 7.4093 130.9451 56.0075 41.3047 176.8862 28 F 4.6514 7.8280 118.6161 58.7065 39.0194 174.5442 29 C 4.0972 8.6738 127.1378 57.2577 38.6635 172.6294 30 L 4.4697 7.7858 120.5428 53.8663 42.5258 176.6171 31 D 4.4072 8.7151 124.3871 53.1436 39.9582 172.1198 32 Q 3.6152 8.1741 127.8760 54.8442 27.7064 170.8619 33 P 4.3928 0.0000 0.0000 63.1096 31.5140 176.8534 34 R 4.0336 7.4815 122.9591 54.0090 32.6859 173.1104 35 P 4.0260 0.0000 0.0000 61.6560 32.3869 176.6463 36 S 4.2112 7.8880 115.5777 57.4284 62.3831 173.2445 37 K 4.6826 7.7197 132.2043 56.6111 35.3064 176.8321 38 E 4.4584 9.6960 115.4083 57.6850 31.3930 175.7811 39 W 3.5580 8.0727 119.0330 56.4004 28.4679 176.1004 40 Q 3.7228 8.4117 112.9548 58.5530 27.7791 176.0682 41 P 4.0204 0.0000 0.0000 65.7170 31.4384 178.2524 42 A 3.9758 7.6182 119.1925 55.3691 18.2035 179.7262 43 Q 4.0116 7.8147 116.3973 59.0161 28.4848 179.3142 44 V 3.5777 7.5667 118.8706 65.7301 31.7290 177.6640 45 I 3.9451 7.1721 109.7557 60.7780 38.5556 173.8419 46 L 3.5111 8.4143 122.8718 54.3369 38.3644 174.1742 47 L 4.0216 8.1490 122.1108 55.3579 42.3317 174.6085 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 M 8.30 4.47 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 2 D 8.85 4.21 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.76 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 0.89 0.00 0.00 0.94 0.00 0.00 4 V 8.35 3.33 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 0.89 0.00 0.00 0.94 0.00 0.00 5 D 7.87 4.42 0.00 2.90 2.66 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 0.00 0.00 0.00 0.00 6 S 8.20 4.27 0.00 3.91 3.91 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 7 L 7.85 4.06 0.00 1.70 1.73 0.92 0.68 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 8 L 7.70 4.45 0.00 1.79 1.91 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.24 4.07 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 0.81 0.00 0.00 1.01 0.00 0.00 10 N 7.92 4.47 0.00 2.89 2.81 0.00 0.00 7.60 7.72 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 12 S 7.77 4.15 0.00 4.33 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 13 N 8.25 4.50 0.00 3.01 2.77 0.00 0.00 7.04 7.90 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 14 I 7.88 3.77 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.80 0.00 0.00 15 T 7.69 4.11 4.45 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 1.24 0.00 0.00 16 P 0.00 4.36 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 17 P 0.00 4.36 0.00 2.06 2.01 0.00 3.64 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 2.05 2.13 0.00 18 C 8.64 4.71 0.00 3.20 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 19 E 8.79 4.63 0.00 1.93 1.87 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 2.21 2.22 0.00 20 L 8.51 4.71 0.00 1.84 1.72 0.93 1.32 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 21 G 8.87 3.84 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 0.00 0.00 0.00 22 L 8.19 4.06 0.00 1.62 1.77 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.48 4.15 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.28 0.00 24 N 8.30 4.35 0.00 2.74 2.77 0.00 0.00 6.97 7.67 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 25 E 7.75 4.11 0.00 1.85 1.82 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 2.21 2.26 0.00 26 T 8.06 3.97 4.24 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 0.00 0.00 0.00 1.36 0.00 0.00 27 L 7.41 4.47 0.00 1.67 1.69 0.73 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.83 4.65 0.00 3.24 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 29 C 8.67 4.10 0.00 3.32 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.47 0.00 1.84 1.61 1.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.72 4.41 0.00 2.85 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 32 Q 8.17 3.62 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 33 P 0.00 4.39 0.00 2.08 2.23 0.00 3.75 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 2.13 2.32 0.00 34 R 7.48 4.03 0.00 1.61 1.65 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.71 0.00 35 P 0.00 4.03 0.00 1.91 1.82 0.00 3.40 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 36 S 7.89 4.21 0.00 3.70 3.74 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 0.00 0.00 0.00 0.00 37 K 7.72 4.68 0.00 1.88 0.79 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.53 7.81 38 E 9.70 4.46 0.00 2.19 2.30 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 2.36 2.27 0.00 39 W 8.07 3.56 0.00 3.71 2.89 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 0.00 0.00 0.00 40 Q 8.41 3.72 0.00 1.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.73 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 41 P 0.00 4.02 0.00 2.13 1.97 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 42 A 7.62 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.01 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 44 V 7.57 3.58 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 0.74 0.00 0.00 0.88 0.00 0.00 45 I 7.17 3.95 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.75 0.88 0.00 0.00 46 L 8.41 3.51 0.00 1.77 1.82 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.15 4.02 0.00 1.64 1.63 0.92 0.83 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