NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2633 8.0433 122.4904 55.3715 43.8100 178.9047 3 Q 4.0472 8.1494 111.9129 55.0877 28.6245 174.9036 4 K 4.4414 10.5897 118.3759 57.9363 34.4634 178.5435 5 K 3.9008 8.0676 119.4861 58.6213 31.7295 179.0917 6 I 4.1183 7.7056 119.7094 63.8791 37.0682 177.9624 7 E 3.9728 8.3072 119.8755 59.5005 29.1296 179.1818 8 E 3.9818 8.1461 116.5853 58.9592 29.7434 179.2613 9 I 3.8819 7.1690 120.5695 64.2363 37.2393 177.8743 10 A 4.0315 8.3205 121.6646 55.4296 17.7787 179.6003 11 A 4.0377 8.4106 118.8420 54.5546 18.3336 179.9610 12 K 3.9366 8.0658 117.7080 59.7751 32.1836 178.5896 13 Y 4.0506 7.9754 118.9644 61.1100 38.7859 177.3440 14 K 3.6096 9.4197 118.2126 58.9389 31.9949 180.1448 15 H 3.7901 7.3493 118.8182 58.8513 31.5948 176.6139 16 S 4.1850 8.7703 116.3333 60.7235 63.1334 176.1565 17 V 3.3743 7.5631 122.2476 66.5766 30.9955 177.4420 18 V 3.4596 7.4449 117.2750 65.9985 31.0510 177.4194 19 K 3.7648 8.1805 118.3340 59.8449 32.1976 179.0599 20 K 4.0433 8.5315 118.8095 59.7738 32.1458 178.6258 21 C 4.3875 8.2862 116.6850 60.2049 40.7935 175.7969 22 C 4.1123 8.5402 120.4211 59.7749 42.3554 174.3789 23 Y 3.9409 7.6531 121.1697 61.2274 38.0569 177.9961 24 D 4.5873 8.1251 117.9952 57.5502 41.1087 178.7453 25 G 2.1467 7.7700 105.2257 47.1032 0.0000 175.3793 26 A 3.8708 7.5801 121.9688 53.8550 18.8218 177.8255 27 C 3.3542 7.2327 113.5975 59.7738 28.4659 174.4734 28 V 3.5044 8.0437 124.0207 63.8299 31.5862 175.6381 29 N 4.5374 8.0637 120.3776 53.5244 39.3868 174.1849 30 N 4.7426 8.6425 120.2077 53.9134 38.9014 175.7525 31 D 4.7570 7.7534 117.0530 54.6508 41.9217 176.4715 32 E 4.9610 7.6935 117.5081 54.5778 33.5662 175.4698 33 T 4.2294 9.7003 113.7225 61.3152 70.2319 174.9143 34 C 4.2483 9.0266 120.6240 60.4692 34.3502 175.7761 35 E 3.9106 8.3425 120.1144 59.7243 28.8090 178.9078 36 Q 3.9793 7.6993 115.5408 59.0782 29.1359 178.7054 37 R 4.0473 7.7748 118.8492 59.3929 30.0704 179.1201 38 A 3.6404 8.0835 119.6254 54.5382 18.0667 179.4413 39 A 3.9456 7.5124 118.4278 55.0170 18.4803 179.3463 40 R 4.0579 7.6030 114.8619 56.8307 30.7669 177.3037 41 I 3.8140 6.6511 120.6221 61.3894 37.6707 176.0500 42 S 4.7563 8.2781 118.3467 58.6456 63.1182 174.3126 43 L 4.5396 7.9635 116.7698 54.8785 42.9046 176.1521 44 G 4.0230 7.4125 110.6498 44.7855 0.0000 172.4302 45 P 3.7107 0.0000 0.0000 64.3238 31.4331 178.9668 46 R 3.7535 7.6966 117.5499 59.7423 30.9879 179.1105 47 C 4.2545 8.1439 117.7108 60.1130 42.7477 174.7180 48 I 3.6634 7.6306 120.7294 65.2042 36.6574 177.8023 49 K 3.7745 8.7956 117.5822 60.4172 31.8853 179.1380 50 A 3.7918 8.2124 118.7216 55.2569 18.7358 178.9921 51 F 4.6490 9.2043 119.6634 61.4599 39.5637 177.4248 52 T 3.9721 8.6168 115.0343 67.0235 68.4332 175.8813 53 E 3.9453 8.8178 120.1668 60.0798 29.6321 179.3570 54 C 4.2076 7.8388 116.0181 60.3812 40.2581 174.6538 55 C 3.9977 7.6853 120.8694 58.9972 42.5229 175.4908 56 V 3.5142 7.9285 119.0823 66.5273 31.2007 177.9801 57 V 3.4719 7.6760 116.6933 66.0556 31.2360 177.3621 58 A 3.8715 8.2181 119.8029 55.6287 18.0442 179.3496 59 S 4.0109 8.0172 112.3013 62.2977 63.1463 176.9504 60 Q 4.1206 7.8534 118.8218 59.1704 28.7794 179.0427 61 L 4.1737 7.9846 119.8875 57.5851 41.5234 179.1444 62 R 4.0682 8.2156 114.5383 57.3049 29.8813 176.6363 63 A 4.1765 7.7367 127.6300 52.3813 18.5462 177.4969 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 4.26 0.00 1.74 1.72 0.92 0.47 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 3 Q 8.15 4.05 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 4 K 10.59 4.44 0.00 1.88 1.97 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.37 7.81 5 K 8.07 3.90 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 6 I 7.71 4.12 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.97 0.90 0.00 0.00 7 E 8.31 3.97 0.00 2.21 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 2.33 2.48 0.00 8 E 8.15 3.98 0.00 1.94 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 2.32 2.41 0.00 9 I 7.17 3.88 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.92 0.00 0.00 10 A 8.32 4.03 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 11 A 8.41 4.04 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 12 K 8.07 3.94 0.00 2.02 1.92 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.88 1.62 7.81 13 Y 7.98 4.05 0.00 3.11 3.11 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 14 K 9.42 3.61 0.00 1.88 1.70 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.86 7.81 15 H 7.35 3.79 0.00 3.40 3.56 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.77 4.19 0.00 4.04 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 0.00 17 V 7.56 3.37 1.99 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 0.83 0.00 0.00 0.12 0.00 0.00 18 V 7.44 3.46 2.28 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 0.98 0.00 0.00 0.89 0.00 0.00 19 K 8.18 3.76 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 20 K 8.53 4.04 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.59 7.81 21 C 8.29 4.39 0.00 3.24 3.45 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 0.00 22 C 8.54 4.11 0.00 2.96 3.23 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 23 Y 7.65 3.94 0.00 2.99 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 24 D 8.13 4.59 0.00 3.01 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 25 G 7.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.58 3.87 1.07 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 0.00 0.00 27 C 7.23 3.35 0.00 3.00 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 28 V 8.04 3.50 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 0.73 0.00 0.00 0.88 0.00 0.00 29 N 8.06 4.54 0.00 2.80 2.65 0.00 0.00 7.09 6.71 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 30 N 8.64 4.74 0.00 2.75 2.84 0.00 0.00 7.12 8.06 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 31 D 7.75 4.76 0.00 2.81 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 32 E 7.69 4.96 0.00 1.89 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 2.33 2.24 0.00 33 T 9.70 4.23 4.25 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 1.22 0.00 0.00 34 C 9.03 4.25 0.00 3.01 3.25 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 35 E 8.34 3.91 0.00 2.04 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 2.40 2.46 0.00 36 Q 7.70 3.98 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 37 R 7.77 4.05 0.00 2.00 2.08 0.00 3.19 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 38 A 8.08 3.64 1.36 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 39 A 7.51 3.95 1.36 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 40 R 7.60 4.06 0.00 1.85 1.94 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 41 I 6.65 3.81 1.84 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.03 0.82 0.00 0.00 42 S 8.28 4.76 0.00 3.90 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 43 L 7.96 4.54 0.00 1.59 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.41 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 3.71 0.00 2.19 1.95 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 46 R 7.70 3.75 0.00 1.89 1.89 0.00 3.13 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 47 C 8.14 4.25 0.00 3.03 3.24 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 0.00 48 I 7.63 3.66 2.01 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 1.47 0.62 0.91 0.00 0.00 49 K 8.80 3.77 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 50 A 8.21 3.79 1.42 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 0.00 0.00 51 F 9.20 4.65 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 3.97 4.49 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 1.26 0.00 0.00 53 E 8.82 3.95 0.00 1.95 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 2.34 2.51 0.00 54 C 7.84 4.21 0.00 2.76 2.99 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 55 C 7.69 4.00 0.00 2.66 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 V 7.93 3.51 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 0.93 0.00 0.00 0.94 0.00 0.00 57 V 7.68 3.47 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 0.92 0.00 0.00 0.99 0.00 0.00 58 A 8.22 3.87 1.34 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 0.00 0.00 0.00 59 S 8.02 4.01 0.00 3.98 3.95 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 60 Q 7.85 4.12 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 61 L 7.98 4.17 0.00 1.83 1.68 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.22 4.07 0.00 1.74 1.95 0.00 3.28 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 63 A 7.74 4.18 1.28 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 0.00 0.00