NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6125 8.0033 121.6982 57.7634 39.9983 174.1383 12 Q 4.1479 7.9344 124.8165 55.9120 30.5650 173.8808 13 T 3.9532 7.0604 109.7876 60.3581 70.9144 172.1453 14 A 3.7812 8.5648 128.1800 52.1681 18.4696 176.2431 15 P 4.6564 0.0000 0.0000 61.4644 32.7053 175.7228 16 F 4.2165 8.6803 120.6842 58.3980 39.7838 174.0819 17 D 4.5678 7.2886 125.7753 51.7868 42.0323 175.6493 18 S 4.0253 8.5649 122.3619 61.2850 62.7195 176.0044 19 R 4.0543 7.8223 114.4049 56.8087 29.6322 177.3944 20 F 4.9646 8.2688 117.5599 56.4609 40.6191 172.2870 21 P 4.7845 0.0000 0.0000 62.9956 32.6704 176.2914 22 N 5.0593 7.7700 116.6687 51.1127 41.2983 174.9462 23 Q 3.9082 8.8262 120.3393 59.3242 28.9528 176.7493 24 N 4.6345 7.7346 115.9170 53.3401 38.9492 174.8159 25 Q 4.5969 8.5874 123.6635 55.8062 29.7468 177.1114 26 T 4.2502 8.1568 118.6003 67.3755 68.3429 176.0948 27 R 4.2056 8.0998 119.1266 59.1420 30.1340 178.1361 28 N 3.1400 7.7053 116.9094 56.5613 38.7925 175.7840 29 C 4.4392 8.1956 119.1731 59.3051 38.4776 174.7249 30 W 4.2930 8.5993 129.6091 60.7869 30.3215 177.6648 31 Q 3.8689 9.1513 120.1778 59.5620 28.5757 178.3152 32 N 4.6304 7.9852 117.2651 56.2795 38.3729 176.8663 33 Y 3.5079 7.9597 121.2030 60.1371 38.7066 177.7694 34 L 3.6574 7.4618 119.6573 57.7582 41.8026 178.7177 35 D 4.0840 8.1421 119.1465 57.7692 40.7129 178.9469 36 F 4.2926 8.0535 120.6702 61.7132 39.4926 176.7739 37 H 3.6790 7.9928 115.7357 58.6663 28.4546 178.1708 38 R 3.8206 7.9507 120.2066 58.9589 29.9153 178.1253 39 C 4.1596 7.9100 118.2976 59.5540 38.1872 174.8221 40 E 3.6306 7.9820 121.2289 59.3605 28.9640 178.6201 41 K 3.7569 7.8814 118.9869 60.0492 31.9288 177.7578 42 A 3.9461 7.9154 119.7868 55.1343 18.3017 178.8728 43 M 3.9668 8.1753 118.2019 58.4977 32.6506 179.3757 44 T 4.0525 7.6549 115.2198 66.0675 69.2571 176.3757 45 A 4.7578 7.9154 121.5531 51.3378 18.2119 176.6737 46 K 4.0624 8.1073 125.3698 55.9764 36.7402 173.4225 47 G 3.7762 7.4632 108.7205 41.9059 0.0000 173.4374 48 G 3.9568 8.5620 105.6007 46.5401 0.0000 172.9956 49 D 4.1376 8.4049 109.5242 54.8710 38.9618 174.6381 50 V 3.4533 7.8912 109.4236 61.9099 29.8740 174.3006 51 S 4.3759 7.7339 112.3646 58.4921 63.5753 173.8740 52 V 4.5147 7.8769 114.1240 59.8491 35.2964 175.7693 53 C 4.6932 8.5760 119.5296 54.6070 40.4962 173.3659 54 E 4.0397 8.1655 127.0846 59.5222 29.8514 177.0142 55 W 4.2748 8.2817 128.1535 61.0681 30.4543 177.3548 56 Y 4.3669 7.6895 115.7303 61.2695 37.3084 178.4734 57 R 3.1074 7.8541 119.0327 58.6966 30.1652 178.6755 58 R 3.3751 7.6380 118.3717 58.8924 29.9712 178.9296 59 V 3.4933 7.3238 119.2991 65.6259 31.5645 177.6761 60 Y 4.3347 8.2286 117.4956 60.0852 37.4007 178.5517 61 K 3.7678 6.9466 119.8146 59.0317 32.0712 179.3183 62 S 4.2080 7.4878 114.4812 61.6700 62.9524 176.3123 63 L 4.1301 7.6351 120.0421 56.4718 41.9234 177.3050 64 C 4.3040 7.8529 116.4055 55.4407 41.8968 171.8960 65 P 4.2221 0.0000 0.0000 62.2517 31.8905 176.8732 66 I 3.6387 8.4838 122.8684 65.0744 37.0563 178.5951 67 S 4.2068 8.0746 113.9143 61.1975 62.5148 176.4982 68 W 3.5578 7.9932 122.5801 59.4271 28.6760 178.2963 69 V 3.6533 7.5814 117.5423 66.4104 30.7676 177.9615 70 S 4.1894 8.7307 115.0550 61.9489 62.7287 176.6571 71 T 3.9139 7.9574 112.3112 64.7520 68.1448 176.3273 72 W 4.6549 8.5092 121.9331 59.8940 29.0820 177.9080 73 D 4.5207 8.6239 119.0007 57.7252 40.2696 178.5910 74 D 4.4595 8.4886 119.3719 57.7613 40.9398 179.1920 75 R 4.0444 8.3440 118.2065 59.6784 30.0255 179.3436 76 R 4.0765 8.5506 117.7036 59.0555 29.7404 178.9569 77 A 4.0507 8.0109 120.2309 55.1426 18.6617 179.0920 78 E 4.2205 8.3534 113.1694 56.5149 30.0192 176.7423 79 G 3.9233 7.8702 108.1859 47.6684 0.0000 174.2457 80 T 4.5649 8.4006 106.7525 60.6771 69.6471 173.3320 81 F 4.4530 8.3499 125.5243 57.6622 39.2594 174.1545 82 P 4.2953 0.0000 0.0000 64.2640 31.3680 176.6920 83 G 3.8899 6.0058 107.4476 44.4902 0.0000 173.2777 84 K 4.4959 8.4595 119.7878 54.8090 33.1424 177.0982 85 I 4.0510 8.3359 123.8992 61.3806 37.5241 175.4859 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 11 Y 8.00 4.61 0.00 3.09 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 12 Q 7.93 4.15 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 13 T 7.06 3.95 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 1.11 0.00 0.00 14 A 8.56 3.78 1.23 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 15 P 0.00 4.66 0.00 2.36 2.23 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 16 F 8.68 4.22 0.00 3.04 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 17 D 7.29 4.57 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.03 0.00 4.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.05 0.00 1.54 1.88 0.00 2.99 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.72 0.00 20 F 8.27 4.96 0.00 2.90 2.91 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 21 P 0.00 4.78 0.00 2.38 2.49 0.00 3.80 0.00 0.00 3.71 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 22 N 7.77 5.06 0.00 2.83 2.82 0.00 0.00 6.68 7.74 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 23 Q 8.83 3.91 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.73 4.63 0.00 2.92 2.81 0.00 0.00 7.11 6.96 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 25 Q 8.59 4.60 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 26 T 8.16 4.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 27 R 8.10 4.21 0.00 2.09 2.46 0.00 3.64 0.00 0.00 3.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 28 N 7.71 3.14 0.00 2.23 2.64 0.00 0.00 6.84 7.37 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 29 C 8.20 4.44 0.00 3.16 3.57 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 30 W 8.60 4.29 0.00 3.60 3.36 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 31 Q 9.15 3.87 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 32 N 7.99 4.63 0.00 2.90 3.09 0.00 0.00 6.75 7.35 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 33 Y 7.96 3.51 0.00 2.88 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 34 L 7.46 3.66 0.00 1.58 1.43 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.14 4.08 0.00 2.22 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 36 F 8.05 4.29 0.00 3.40 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 37 H 7.99 3.68 0.00 2.83 3.07 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.95 3.82 0.00 1.69 1.86 0.00 3.06 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 39 C 7.91 4.16 0.00 3.13 3.20 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 0.00 0.00 0.00 0.00 40 E 7.98 3.63 0.00 1.16 1.55 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 2.10 2.12 0.00 41 K 7.88 3.76 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 42 A 7.92 3.95 1.32 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 0.00 0.00 43 M 8.18 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.98 0.00 44 T 7.65 4.05 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 1.18 0.00 0.00 45 A 7.92 4.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.06 0.00 1.64 1.88 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.31 7.81 47 G 7.46 3.78 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 0.00 0.00 0.00 48 G 8.56 3.96 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 0.00 0.00 0.00 49 D 8.40 4.14 0.00 2.81 2.74 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 50 V 7.89 3.45 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 0.64 0.00 0.00 0.93 0.00 0.00 51 S 7.73 4.38 0.00 4.00 3.87 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 0.00 0.00 0.00 52 V 7.88 4.51 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 0.84 0.00 0.00 0.96 0.00 0.00 53 C 8.58 4.69 0.00 3.38 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 54 E 8.17 4.04 0.00 2.14 2.01 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 2.33 2.34 0.00 55 W 8.28 4.27 0.00 3.28 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 56 Y 7.69 4.37 0.00 3.46 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.85 3.11 0.00 0.67 1.52 0.00 2.84 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.71 0.00 58 R 7.64 3.38 0.00 1.24 0.66 0.00 2.94 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 59 V 7.32 3.49 1.85 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 1.05 0.00 0.00 0.15 0.00 0.00 60 Y 8.23 4.33 0.00 3.33 3.37 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 61 K 6.95 3.77 0.00 1.50 1.63 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.72 1.20 7.81 62 S 7.49 4.21 0.00 3.99 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 63 L 7.64 4.13 0.00 1.66 1.69 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.85 4.30 0.00 3.20 3.03 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 0.00 0.00 0.00 0.00 65 P 0.00 4.22 0.00 1.68 1.65 0.00 2.42 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.48 3.64 1.81 0.00 0.00 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 1.67 0.67 0.89 0.00 0.00 67 S 8.07 4.21 0.00 4.11 4.15 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 68 W 7.99 3.56 0.00 2.88 1.74 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 69 V 7.58 3.65 2.31 0.00 0.00 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 0.00 0.00 1.27 0.00 0.00 70 S 8.73 4.19 0.00 3.88 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 71 T 7.96 3.91 4.27 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 1.22 0.00 0.00 72 W 8.51 4.65 0.00 3.39 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.62 4.52 0.00 2.96 2.86 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 0.00 0.00 0.00 74 D 8.49 4.46 0.00 3.04 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.34 4.04 0.00 2.51 2.38 0.00 3.29 0.00 0.00 3.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 76 R 8.55 4.08 0.00 1.98 1.89 0.00 2.64 0.00 0.00 2.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.53 0.00 77 A 8.01 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.35 4.22 0.00 2.16 2.12 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 2.61 2.38 0.00 79 G 7.87 3.92 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 0.00 0.00 0.00 80 T 8.40 4.56 4.28 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 1.31 0.00 0.00 81 F 8.35 4.45 0.00 3.23 3.02 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 82 P 0.00 4.30 0.00 2.02 2.02 0.00 3.18 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 1.51 1.69 0.00 83 G 6.01 3.89 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 0.00 0.00 0.00 84 K 8.46 4.50 0.00 1.76 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 85 I 8.34 4.05 1.83 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.77 0.00 0.00