NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3752 8.0333 110.9258 61.0304 70.6170 175.3623 4 D 4.1275 7.8405 123.1703 56.8483 40.9897 176.3615 5 W 4.5212 7.8996 118.6821 58.6728 30.2481 175.4894 6 L 4.1083 7.4976 120.4786 56.8471 41.5999 177.2127 7 G 4.0348 9.1669 115.6047 45.1607 0.0000 173.5429 8 S 4.5815 8.1405 114.7130 58.5316 64.8594 173.0373 9 I 4.9585 8.6007 121.3448 59.8210 39.3377 175.5550 10 V 4.9691 8.7829 118.9322 59.6136 36.5807 174.1403 11 S 5.0645 8.9377 117.0583 56.6095 65.1438 172.6874 12 I 4.6432 8.7737 128.1531 59.5199 39.4155 174.0324 13 N 4.9680 8.8898 127.3915 52.7003 39.9929 174.7962 14 C 4.8315 8.7069 123.4451 58.8440 29.4085 174.2393 15 G 3.9033 8.7809 107.3781 44.4047 0.0000 174.3956 16 D 4.3685 8.4767 117.3411 57.5376 40.8484 178.6870 17 S 4.3639 8.0955 113.8709 60.4025 63.1559 174.8126 18 L 4.6496 7.9877 117.8013 53.5423 44.3316 178.3320 19 G 3.8426 8.3915 107.1147 45.3521 0.0000 171.7125 20 V 4.8616 7.9690 119.6688 61.2863 34.5764 175.2693 21 Y 5.0562 8.8798 124.4312 56.2901 41.5285 174.5457 22 Q 5.0607 9.3644 122.1486 53.7882 32.8349 174.9921 23 G 4.3089 8.3375 109.7030 45.7931 0.0000 171.9599 24 R 4.5521 7.8914 120.6374 56.1294 31.4982 175.6373 25 V 4.4179 9.0891 127.4879 63.0148 31.4913 176.1646 26 S 4.5615 9.0369 123.8087 59.7504 64.2269 174.2303 27 A 4.7661 7.7022 120.5647 50.7582 22.5789 175.2165 28 V 4.7761 8.2961 119.2210 61.2707 34.9055 174.0501 29 D 4.8330 9.0698 128.2575 52.6577 42.0451 176.8616 30 Q 4.1114 8.8294 126.2405 58.6561 29.3367 178.4967 31 V 3.7427 8.1229 117.4337 66.0419 31.5555 177.3355 32 S 4.2683 8.2637 112.1452 58.6912 63.7943 173.6269 33 Q 3.5869 8.0878 118.9916 57.5711 25.5338 171.9876 34 T 5.2364 7.9930 107.5387 59.9222 73.4048 174.1568 35 I 5.0600 8.8615 121.7852 59.5292 41.6753 173.8101 36 S 5.3756 9.3756 125.3579 56.8125 65.7837 172.8846 37 L 5.2447 9.0892 124.3523 53.3183 44.1722 175.3628 38 T 4.7895 8.7865 118.5243 61.3120 68.7497 174.5922 39 R 3.8252 8.8138 126.5688 56.6602 28.6454 174.6866 40 P 4.9544 0.0000 0.0000 63.1156 33.3936 175.9738 41 F 5.1981 9.3421 119.7774 56.6265 41.9242 174.6490 42 H 4.8822 9.0246 121.1224 55.4032 33.4962 173.2464 43 N 3.9314 9.4426 122.8867 54.5037 35.8419 175.2286 44 G 4.1181 8.6670 103.5689 45.8465 0.0000 174.4538 45 V 4.1541 7.5158 112.2290 58.4440 35.2933 175.0301 46 K 3.3609 7.3137 123.7846 55.8466 32.5400 176.7837 47 C 4.3278 8.6133 124.5132 59.8736 28.6578 174.1709 48 L 4.0947 8.3332 122.0718 57.2010 41.6633 178.0464 49 V 3.9684 7.5428 118.1555 61.5726 32.3566 173.9348 50 P 4.5689 0.0000 0.0000 64.6799 32.7089 175.3091 51 E 5.1028 7.9297 120.9741 54.7107 32.7066 174.2398 52 V 4.2800 8.8238 126.2418 61.2177 34.9046 174.0208 53 T 4.9487 8.0373 123.3126 61.7086 70.9717 173.2888 54 F 4.8632 9.1951 125.0102 55.4730 42.4645 175.2865 55 R 4.4919 8.5648 121.0972 55.5880 31.0293 177.7268 56 A 3.9761 9.2584 126.0395 55.2531 18.5314 179.8229 57 G 3.7796 8.0632 102.8979 47.6347 0.0000 173.7708 58 D 4.6530 8.3361 119.5234 54.4716 41.5362 175.9292 59 I 4.3901 7.5233 121.7174 60.5981 37.9251 175.7598 60 T 4.3466 8.7367 116.0621 63.2155 70.0941 174.8757 61 E 4.6407 7.8247 122.0961 54.6677 33.3425 173.2704 62 L 4.8892 8.4394 128.2952 53.1651 44.4148 175.1689 63 K 4.5067 8.9400 126.2751 54.7161 34.7350 175.7210 64 I 4.3479 8.2924 125.9695 60.4235 36.6226 175.5039 65 L 4.2507 8.7090 128.9237 57.0971 42.4609 177.7534 66 E 4.8125 7.8661 118.8399 54.3944 33.0756 174.9678 67 I 4.3907 8.4214 120.0481 59.9722 38.8469 173.8771 68 P 4.5893 0.0000 0.0000 62.6409 32.2505 176.8199 69 G 3.9206 8.5896 111.8481 44.2372 0.0000 172.6152 70 P 4.4835 0.0000 0.0000 63.6854 32.2505 177.2254 71 G 4.0463 7.1123 109.6817 44.8647 0.0000 172.8454 72 D 4.4576 8.6512 123.0735 54.2951 41.1353 176.5948 73 N 4.7819 8.6543 123.2596 53.2732 39.4044 175.2660 74 Q 4.1991 7.7277 122.8662 56.1080 28.8518 175.5694 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 T 8.03 4.38 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 1.26 0.00 0.00 4 D 7.84 4.13 0.00 2.23 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 5 W 7.90 4.52 0.00 3.38 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 6 L 7.50 4.11 0.00 1.76 1.64 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.17 4.03 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 0.00 0.00 0.00 8 S 8.14 4.58 0.00 4.13 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 9 I 8.60 4.96 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 1.24 0.73 0.90 0.00 0.00 10 V 8.78 4.97 1.96 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 0.60 0.00 0.00 0.82 0.00 0.00 11 S 8.94 5.06 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.77 4.64 1.37 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.29 0.39 0.00 0.00 13 N 8.89 4.97 0.00 2.72 2.64 0.00 0.00 6.67 7.44 0.00 0.00 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 C 8.71 4.83 0.00 3.16 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 15 G 8.78 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 16 D 8.48 4.37 0.00 2.69 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 17 S 8.10 4.36 0.00 3.89 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 18 L 7.99 4.65 0.00 1.77 2.01 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.39 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 20 V 7.97 4.86 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 0.95 0.00 0.00 0.89 0.00 0.00 21 Y 8.88 5.06 0.00 2.80 2.95 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 22 Q 9.36 5.06 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 23 G 8.34 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.89 4.55 0.00 1.98 1.85 0.00 3.26 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 25 V 9.09 4.42 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 1.16 0.00 0.00 0.97 0.00 0.00 26 S 9.04 4.56 0.00 3.94 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 27 A 7.70 4.77 1.24 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 0.00 0.00 28 V 8.30 4.78 2.16 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 0.98 0.00 0.00 1.10 0.00 0.00 29 D 9.07 4.83 0.00 2.75 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 30 Q 8.83 4.11 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 31 V 8.12 3.74 2.19 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 0.76 0.00 0.00 0.94 0.00 0.00 32 S 8.26 4.27 0.00 4.03 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 33 Q 8.09 3.59 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 34 T 7.99 5.24 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 1.26 0.00 0.00 35 I 8.86 5.06 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.54 0.95 0.00 0.00 36 S 9.38 5.38 0.00 3.87 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 37 L 9.09 5.24 0.00 1.75 1.67 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.79 4.79 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 1.29 0.00 0.00 39 R 8.81 3.83 0.00 1.98 2.05 0.00 3.28 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 40 P 0.00 4.95 0.00 2.43 2.39 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 41 F 9.34 5.20 0.00 2.94 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 42 H 9.02 4.88 0.00 2.95 3.04 0.00 5.98 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.44 3.93 0.00 2.77 2.78 0.00 0.00 7.14 7.65 0.00 0.00 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 G 8.67 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 45 V 7.52 4.15 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 0.70 0.00 0.00 0.87 0.00 0.00 46 K 7.31 3.36 0.00 1.11 1.43 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.50 7.81 47 C 8.61 4.33 0.00 3.05 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 48 L 8.33 4.09 0.00 1.62 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.54 3.97 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 0.84 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.57 0.00 2.17 2.29 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 51 E 7.93 5.10 0.00 1.94 1.78 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 2.16 2.39 0.00 52 V 8.82 4.28 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 0.05 0.00 0.00 0.84 0.00 0.00 53 T 8.04 4.95 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 1.17 0.00 0.00 54 F 9.20 4.86 0.00 2.89 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 55 R 8.56 4.49 0.00 2.06 1.87 0.00 3.14 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 56 A 9.26 3.98 1.38 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 0.00 0.00 0.00 57 G 8.06 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 58 D 8.34 4.65 0.00 2.88 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 59 I 7.52 4.39 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.83 0.00 0.00 60 T 8.74 4.35 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 1.21 0.00 0.00 61 E 7.82 4.64 0.00 1.99 1.72 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 2.22 2.26 0.00 62 L 8.44 4.89 0.00 1.33 1.17 -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.94 4.51 0.00 1.63 1.64 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.32 7.81 64 I 8.29 4.35 1.93 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 1.01 0.00 0.00 65 L 8.71 4.25 0.00 1.63 1.70 0.88 0.66 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 66 E 7.87 4.81 0.00 2.04 1.73 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 2.28 2.38 0.00 67 I 8.42 4.39 1.91 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 1.36 0.73 0.95 0.00 0.00 68 P 0.00 4.59 0.00 1.98 2.19 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 69 G 8.59 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 70 P 0.00 4.48 0.00 2.19 2.18 0.00 3.76 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 1.96 0.00 71 G 7.11 4.05 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 0.00 0.00 0.00 72 D 8.65 4.46 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.78 0.00 2.76 2.85 0.00 0.00 7.18 7.69 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 74 Q 7.73 4.20 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00