NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2996 8.4449 118.7958 55.6111 31.8995 175.8626 4 R 4.0160 7.9407 119.8428 54.7994 31.0815 175.0024 5 P 4.2004 0.0000 0.0000 66.1287 32.1735 178.5511 6 L 3.9202 7.8414 118.0230 57.7967 42.0136 178.6130 7 D 4.3119 7.9930 119.3474 57.1764 40.6436 178.7509 8 V 3.5495 7.6180 118.2398 66.1304 31.4189 178.0089 9 I 3.5518 7.3603 118.3160 64.4695 37.2368 177.6432 10 H 4.1766 8.1112 119.2416 59.1313 29.5117 177.3378 11 R 3.9621 7.9397 119.3438 58.8003 30.2092 177.6615 12 S 4.4346 7.5392 113.5611 57.6090 63.2457 173.9469 13 L 4.3220 7.0804 122.3152 56.5351 41.8290 176.7348 14 D 4.5044 9.5725 121.3875 54.9061 39.2156 173.5020 15 K 4.7770 7.7596 118.0433 54.1084 36.2963 175.0753 16 D 4.9893 8.5276 121.6903 54.7574 42.5049 175.3955 17 V 5.0006 9.1687 117.6661 59.7245 36.9410 173.6286 18 L 5.0474 9.0532 124.8438 53.3677 44.6416 175.2070 19 V 4.7487 9.2189 126.7723 61.3290 33.6758 174.1722 20 I 4.5098 8.7737 130.4792 60.7400 38.5448 175.6161 21 L 5.0373 8.5509 127.3932 52.7967 45.2729 175.9494 22 K 4.2428 8.5157 119.0731 56.9328 33.0964 178.0313 23 K 3.7795 9.0384 116.7294 56.7104 29.5235 177.0784 24 G 3.9003 8.0882 106.7221 45.8413 0.0000 172.7663 25 F 5.3399 7.9868 117.9862 56.6486 40.8391 174.9084 26 E 5.1402 8.8034 120.3372 55.1665 34.5814 174.0478 27 F 5.3119 9.3256 120.5480 55.7901 42.7653 174.4201 28 R 5.0043 9.1400 121.9268 54.4178 33.7607 174.5554 29 G 4.2124 8.2042 111.5846 46.3242 0.0000 171.1577 30 R 4.8774 7.9523 120.7683 55.0308 31.3670 175.3965 31 L 4.7468 8.8227 130.0196 55.1329 42.8134 176.7655 32 I 4.5656 8.3969 118.5400 60.2155 39.0745 174.9841 33 G 4.1567 7.6134 108.8682 46.4792 0.0000 171.5763 34 Y 5.2402 7.5877 117.0490 56.7423 40.5122 172.1143 35 D 4.8188 8.4452 118.5600 51.0576 42.7095 176.2418 36 I 3.7139 8.2962 118.3385 64.1903 37.7849 175.9729 37 H 4.5206 8.1713 115.1958 55.9584 28.7657 175.5782 38 L 3.8611 8.2047 118.5559 55.3734 39.5877 174.0655 39 N 4.8937 8.1926 115.9997 53.4031 39.9552 174.5896 40 V 5.0418 8.8250 114.9007 59.6104 36.7659 174.4788 41 V 4.8190 8.5832 121.6899 61.1863 34.1225 174.3499 42 L 5.3307 9.0793 127.2290 52.9068 45.3486 175.2868 43 A 4.9653 8.9847 123.6834 50.3761 22.0333 175.8958 44 D 4.5252 8.4574 118.3150 55.3024 38.9634 173.0512 45 A 5.0835 8.4084 122.0736 50.8394 22.5531 177.3720 46 E 5.1446 9.2825 117.9071 54.9754 34.3250 174.5528 47 M 4.2971 9.2589 124.4756 54.2231 33.9453 174.5938 48 I 4.9203 8.6140 127.2116 59.4312 40.6524 174.3604 49 Q 4.9218 9.2235 127.5031 54.5861 31.7575 175.1135 50 D 4.3721 9.4064 128.8852 55.4595 39.0561 174.5903 51 G 4.1095 8.2767 106.6630 45.5393 0.0000 173.5723 52 E 4.2385 8.0447 120.3060 55.2381 30.2894 175.8387 53 V 4.1215 8.3222 123.9450 62.8971 31.8639 175.6693 54 V 4.3193 8.3428 120.4701 61.5308 33.2639 175.8446 55 K 4.2944 7.3873 119.2042 55.4422 35.2906 173.9082 56 R 5.0480 8.1039 123.5844 54.5820 33.5885 174.5283 57 Y 4.7103 9.0220 119.5100 56.2622 42.0255 176.8266 58 G 3.7159 8.9837 110.4018 48.9726 0.0000 173.4536 59 K 5.2078 7.8383 119.8938 54.8755 35.5369 175.3492 60 I 4.4545 8.8936 126.7251 59.3753 41.9075 173.4920 61 V 4.6158 8.2386 128.7412 61.4381 32.8526 174.5136 62 I 4.3362 8.5385 129.6908 59.3166 39.7537 175.6360 63 R 4.4984 8.5341 126.4231 55.6430 30.7904 177.9387 64 G 3.7211 9.7294 112.7011 48.5430 0.0000 175.0132 65 D 4.3167 8.1684 118.2070 56.5951 41.2034 176.3320 66 N 4.7431 7.8166 113.8940 53.1948 39.3452 175.1331 67 V 4.0784 7.7564 119.7900 62.3969 32.3744 175.1895 68 L 4.4159 9.1110 129.5706 57.3903 42.8532 175.9583 69 A 4.6256 7.5088 117.4257 51.3715 22.7515 175.0407 70 I 5.0785 8.1873 118.9130 59.8106 41.2621 175.1343 71 S 4.7301 9.2492 121.4517 55.5924 65.5431 171.1065 72 P 4.7743 0.0000 0.0000 63.0303 31.9959 176.4164 73 T 4.2143 8.6808 120.2799 63.7612 68.0768 174.6077 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 3 E 8.44 4.30 0.00 2.09 2.14 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 2.17 2.34 0.00 4 R 7.94 4.02 0.00 1.96 1.88 0.00 3.15 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 5 P 0.00 4.20 0.00 2.13 2.10 0.00 3.58 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 2.11 2.15 0.00 6 L 7.84 3.92 0.00 1.74 1.65 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.99 4.31 0.00 3.03 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.55 2.17 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 1.03 0.00 0.00 0.91 0.00 0.00 9 I 7.36 3.55 1.44 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 1.28 0.69 0.31 0.00 0.00 10 H 8.11 4.18 0.00 3.31 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.94 3.96 0.00 2.03 2.03 0.00 3.35 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 12 S 7.54 4.43 0.00 3.93 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 13 L 7.08 4.32 0.00 1.70 1.63 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.57 4.50 0.00 2.79 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 15 K 7.76 4.78 0.00 1.86 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.46 7.81 16 D 8.53 4.99 0.00 2.81 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 17 V 9.17 5.00 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 0.62 0.00 0.00 1.02 0.00 0.00 18 L 9.05 5.05 0.00 1.71 1.51 0.99 0.96 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 19 V 9.22 4.75 2.24 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 1.05 0.00 0.00 0.96 0.00 0.00 20 I 8.77 4.51 1.90 0.00 0.00 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 1.42 0.52 0.95 0.00 0.00 21 L 8.55 5.04 0.00 1.74 1.73 1.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.52 4.24 0.00 1.88 1.75 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 23 K 9.04 3.78 0.00 1.57 1.70 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.12 7.81 24 G 8.09 3.90 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 0.00 0.00 0.00 25 F 7.99 5.34 0.00 3.21 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 26 E 8.80 5.14 0.00 1.82 1.77 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 2.25 2.32 0.00 27 F 9.33 5.31 0.00 2.97 2.83 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 28 R 9.14 5.00 0.00 1.87 1.75 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 29 G 8.20 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.95 4.88 0.00 1.94 1.82 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 31 L 8.82 4.75 0.00 1.83 1.69 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.40 4.57 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 1.28 0.85 0.96 0.00 0.00 33 G 7.61 4.16 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 0.00 34 Y 7.59 5.24 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.82 0.00 2.86 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 36 I 8.30 3.71 1.84 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 1.37 0.65 0.68 0.00 0.00 37 H 8.17 4.52 0.00 3.36 3.32 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.20 3.86 0.00 1.86 1.86 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.19 4.89 0.00 2.93 2.73 0.00 0.00 6.78 7.68 0.00 0.00 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 V 8.82 5.04 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 0.76 0.00 0.00 0.89 0.00 0.00 41 V 8.58 4.82 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 1.02 0.00 0.00 0.90 0.00 0.00 42 L 9.08 5.33 0.00 1.48 1.49 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.98 4.97 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.46 4.53 0.00 2.73 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 45 A 8.41 5.08 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 46 E 9.28 5.14 0.00 1.90 1.79 0.00 0.00 0.00 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 2.26 0.00 47 M 9.26 4.30 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.60 0.00 48 I 8.61 4.92 1.80 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 1.08 0.48 0.94 0.00 0.00 49 Q 9.22 4.92 0.00 2.42 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.23 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 50 D 9.41 4.37 0.00 2.79 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 51 G 8.28 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 0.00 0.00 0.00 52 E 8.04 4.24 0.00 2.20 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 2.31 2.25 0.00 53 V 8.32 4.12 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 0.76 0.00 0.00 0.96 0.00 0.00 54 V 8.34 4.32 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 0.73 0.00 0.00 0.93 0.00 0.00 55 K 7.39 4.29 0.00 1.76 1.46 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.93 0.96 7.81 56 R 8.10 5.05 0.00 1.53 1.68 0.00 3.16 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 57 Y 9.02 4.71 0.00 2.90 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 58 G 8.98 3.72 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 0.00 0.00 0.00 59 K 7.84 5.21 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.41 7.81 60 I 8.89 4.45 1.54 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.80 0.53 0.00 0.00 61 V 8.24 4.62 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 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.54 4.34 1.71 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.07 0.85 0.00 0.00 63 R 8.53 4.50 0.00 1.87 1.85 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.73 3.72 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 0.00 0.00 0.00 65 D 8.17 4.32 0.00 2.65 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 66 N 7.82 4.74 0.00 2.85 2.91 0.00 0.00 6.93 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.76 4.08 2.23 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 0.80 0.00 0.00 1.01 0.00 0.00 68 L 9.11 4.42 0.00 1.65 1.92 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.51 4.63 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 70 I 8.19 5.08 1.86 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 1.25 0.72 0.90 0.00 0.00 71 S 9.25 4.73 0.00 3.82 3.66 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 72 P 0.00 4.77 0.00 2.10 2.03 0.00 3.80 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 1.97 1.98 0.00 73 T 8.68 4.21 4.37 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 1.22 0.00 0.00