NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5064 8.3293 118.3644 58.8762 29.6294 173.9335 2 P 4.3919 0.0000 0.0000 61.9647 32.6701 172.7639 3 E 4.4664 8.1410 116.9129 54.8292 32.1511 177.6199 4 I 4.0151 7.9595 122.2538 60.3963 35.8474 177.6168 5 E 3.9804 7.8454 119.0252 57.1441 29.5191 176.9349 6 A 4.4503 7.9746 126.5874 50.8180 21.5973 171.7287 7 Q 3.3863 8.9667 130.3809 55.8834 29.0149 172.9111 8 G 4.0147 8.4836 113.4014 46.6514 0.0000 173.2901 9 N 4.8107 7.6892 115.1858 52.5169 39.7221 173.3502 10 E 4.3464 7.7333 117.3830 56.1869 32.2332 178.3725 11 C 3.9529 8.2240 116.7285 57.4723 41.9193 172.6866 12 L 5.0756 7.8615 115.3597 52.3122 44.8028 176.0569 13 K 4.8768 8.6472 120.8623 54.5651 35.9177 174.7444 14 E 4.8294 8.4467 120.2064 55.0893 31.6996 174.7425 15 Y 4.2028 8.8775 120.0216 58.3420 43.3313 172.0158 16 G 4.3623 7.9646 114.0869 44.3108 0.0000 173.9114 17 G 4.2306 8.5879 107.9390 44.8615 0.0000 173.5446 18 D 4.6975 7.8319 117.1986 53.9403 41.6459 175.2471 19 V 4.6722 7.6798 108.6041 60.3911 33.9198 177.7395 20 G 4.2208 7.9269 117.1659 45.0091 0.0000 176.7319 21 F 4.2350 10.0664 123.4868 61.2430 39.0252 177.3299 22 G 4.0769 8.3792 104.2175 47.7836 0.0000 174.8604 23 F 4.4225 7.8133 121.1801 62.5487 40.1561 175.7573 24 C 3.5714 7.5019 116.8951 56.3446 42.8508 168.3592 25 A 3.7920 8.4424 127.0954 51.6383 18.0177 177.4634 26 P 4.7427 0.0000 0.0000 62.2132 30.1096 175.3614 27 R 4.4283 7.5814 118.7600 57.8706 33.8013 174.3077 28 I 4.6848 7.1253 114.6575 59.1474 41.1651 174.6763 29 F 4.8937 8.2385 124.8958 55.9681 38.8284 173.4681 30 P 4.1625 0.0000 0.0000 63.2112 32.9395 176.8540 31 T 3.3937 7.0431 114.3331 63.1025 66.4604 173.2582 32 I 3.8354 7.6690 124.6041 64.6146 38.0503 178.5691 33 C 4.0603 6.5681 118.2186 58.9377 37.2974 174.9381 34 Y 3.8787 7.1801 120.9327 61.1254 38.3390 177.3459 35 T 3.5529 7.1428 111.3322 64.6170 67.5576 176.1700 36 R 3.9288 8.2684 121.2444 59.5161 30.3266 177.7251 37 C 4.1484 8.3727 118.3638 59.1131 41.5283 175.2953 38 R 3.5849 7.3974 120.3037 59.3607 29.3020 178.0079 39 E 3.8875 7.5180 117.1959 59.7420 29.5867 178.9819 40 N 4.1290 7.5656 114.1066 51.9700 38.7311 178.3615 41 K 3.5931 8.3504 120.3344 56.5841 31.0463 176.1338 42 G 3.9425 8.8980 121.5907 46.2933 0.0000 172.3407 43 A 3.4771 7.2384 123.4224 51.0637 21.4972 175.9752 44 K 4.1576 8.7701 125.4537 58.5733 33.5390 176.7083 45 G 4.1199 8.4986 110.9359 45.3538 0.0000 170.2468 46 G 3.9463 7.5417 107.9305 45.9868 0.0000 170.5524 47 R 4.8660 7.6927 117.4521 54.5911 34.9269 173.8869 48 C 5.3235 8.5999 116.6036 55.4691 43.1020 174.3881 49 R 3.7769 7.8574 119.6299 55.4967 31.4654 176.7159 50 W 4.0669 8.2105 113.9931 58.6317 27.2242 179.1604 51 G 3.5092 9.6389 107.8252 47.6629 0.0000 171.9156 52 Q 5.2449 9.2284 129.3254 56.7744 29.6487 172.3883 53 G 4.0948 8.4751 115.7079 44.3850 0.0000 173.5061 54 S 6.0505 7.2399 117.3959 58.6344 64.7051 177.6362 55 N 4.6816 8.5708 116.4967 54.6459 39.6865 176.0430 56 V 4.4652 7.3918 109.9019 59.5716 33.8580 174.7153 57 K 4.9313 7.8728 117.3440 54.7228 36.5447 175.6126 58 C 4.7910 8.2702 121.1274 55.9017 45.4909 172.0710 59 L 5.1894 8.6321 125.8636 53.7506 43.5796 175.2175 60 C 5.2545 9.0286 120.9751 55.2041 40.6762 172.9904 61 D 5.0169 8.4789 123.1677 52.0348 43.9908 176.4955 62 F 3.9640 9.3517 123.2933 60.1466 38.5173 176.4434 63 C 3.9970 7.6903 120.4754 56.2444 44.7898 179.6156 64 G 3.2723 8.1832 107.4661 45.9310 0.0000 174.9505 65 D 4.4743 8.3073 125.6248 53.0679 44.4463 173.1517 66 T 4.0534 8.5062 110.0168 61.1704 69.2718 173.8044 67 P 4.4792 0.0000 0.0000 63.2631 30.2223 176.1002 68 Q 3.6229 7.8663 122.6985 57.3465 29.9814 172.8470 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 C 8.33 4.51 0.00 2.98 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 P 0.00 4.39 0.00 2.26 2.10 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 E 8.14 4.47 0.00 1.91 1.89 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 2.20 2.27 0.00 4 I 7.96 4.02 1.88 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 1.42 0.53 0.92 0.00 0.00 5 E 7.85 3.98 0.00 2.10 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 0.00 2.32 2.31 0.00 6 A 7.97 4.45 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 7 Q 8.97 3.39 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 8 G 8.48 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 0.00 0.00 0.00 9 N 7.69 4.81 0.00 2.69 2.76 0.00 0.00 6.80 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 10 E 7.73 4.35 0.00 1.95 1.91 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 2.23 2.22 0.00 11 C 8.22 3.95 0.00 3.14 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 12 L 7.86 5.08 0.00 1.52 1.51 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.65 4.88 0.00 1.95 1.77 0.00 1.74 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.44 7.81 14 E 8.45 4.83 0.00 1.95 1.94 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 2.22 2.26 0.00 15 Y 8.88 4.20 0.00 2.96 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 16 G 7.96 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 17 G 8.59 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 0.00 0.00 0.00 18 D 7.83 4.70 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 4.67 1.94 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 0.63 0.00 0.00 0.89 0.00 0.00 20 G 7.93 4.22 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 0.00 21 F 10.07 4.23 0.00 3.22 3.35 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 22 G 8.38 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.81 4.42 0.00 2.90 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 24 C 7.50 3.57 0.00 2.84 2.78 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 0.00 0.00 0.00 0.00 25 A 8.44 3.79 0.69 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 0.00 0.00 26 P 0.00 4.74 0.00 2.16 2.07 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 27 R 7.58 4.43 0.00 1.74 1.89 0.00 3.22 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 28 I 7.13 4.68 1.88 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 1.21 0.99 0.86 0.00 0.00 29 F 8.24 4.89 0.00 2.92 2.84 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 30 P 0.00 4.16 0.00 2.26 2.18 0.00 4.04 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 31 T 7.04 3.39 3.77 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 1.21 0.00 0.00 32 I 7.67 3.84 1.83 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 1.61 0.68 0.91 0.00 0.00 33 C 6.57 4.06 0.00 1.32 1.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 3.88 0.00 2.90 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 35 T 7.14 3.55 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 36 R 8.27 3.93 0.00 1.87 1.74 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 37 C 8.37 4.15 0.00 2.85 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 38 R 7.40 3.58 0.00 1.65 1.82 0.00 3.15 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 39 E 7.52 3.89 0.00 2.05 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 2.28 2.46 0.00 40 N 7.57 4.13 0.00 2.47 2.38 0.00 0.00 6.91 6.80 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 41 K 8.35 3.59 0.00 1.80 1.58 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 42 G 8.90 3.94 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 0.00 0.00 0.00 43 A 7.24 3.48 0.82 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 0.00 0.00 0.00 0.00 0.00 44 K 8.77 4.16 0.00 1.72 1.95 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.55 7.81 45 G 8.50 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 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 0.00 0.00 0.00 47 R 7.69 4.87 0.00 1.72 1.76 0.00 3.07 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 48 C 8.60 5.32 0.00 2.84 3.10 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 49 R 7.86 3.78 0.00 1.65 1.20 0.00 2.97 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.24 0.00 50 W 8.21 4.07 0.00 3.48 3.21 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 51 G 9.64 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.23 5.24 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 53 G 8.48 4.09 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 0.00 0.00 0.00 54 S 7.24 6.05 0.00 3.86 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 55 N 8.57 4.68 0.00 2.82 2.94 0.00 0.00 7.13 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 56 V 7.39 4.47 1.90 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 0.68 0.00 0.00 0.95 0.00 0.00 57 K 7.87 4.93 0.00 1.78 1.84 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.21 7.81 58 C 8.27 4.79 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 59 L 8.63 5.19 0.00 1.84 1.57 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.03 5.25 0.00 2.67 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 61 D 8.48 5.02 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.35 3.96 0.00 3.00 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 63 C 7.69 4.00 0.00 3.32 3.01 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 64 G 8.18 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 0.00 0.00 0.00 65 D 8.31 4.47 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 P 0.00 4.48 0.00 2.26 2.20 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 68 Q 7.87 3.62 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00