NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3349 8.1744 110.9431 61.3111 70.4398 173.4320 6 N 4.7613 7.9647 119.2473 53.2538 39.2003 173.3215 7 S 4.4698 8.7725 113.1414 57.5024 64.8091 173.2574 8 D 4.7993 8.5886 121.7987 55.0443 41.8203 175.4096 9 F 5.2442 7.8859 114.0432 55.5749 41.5080 173.8351 10 V 4.5850 8.8066 112.3913 59.5717 35.3629 174.7829 11 V 4.8359 8.7129 123.2379 61.3364 34.0812 174.5415 12 I 4.9615 9.0544 128.1058 59.4684 40.9120 173.9635 13 K 5.0533 9.1439 129.1176 54.3024 34.4758 175.0287 14 A 4.4385 8.8326 130.2857 52.1804 19.1323 177.4861 15 L 4.6277 8.7557 122.2500 54.7653 42.4293 176.0583 16 E 4.6666 7.6390 115.4896 55.0392 32.1360 174.4904 17 D 4.4691 8.3719 119.4135 55.6505 41.3437 176.8441 18 G 3.8593 8.3976 109.8723 45.8650 0.0000 173.8850 19 V 3.8426 7.6539 119.7134 63.0750 32.7944 174.3091 20 N 5.2814 9.1466 125.3636 51.5953 40.9693 173.7986 21 V 4.4607 8.8891 125.0687 61.4893 33.3479 174.2912 22 I 4.4819 8.6389 130.3081 59.3728 39.4532 175.1404 23 G 4.0153 8.6824 115.4526 45.2622 0.0000 172.6798 24 L 5.2209 9.0104 126.9526 53.6696 43.6681 176.4936 25 T 4.5820 8.6159 114.0039 61.4933 69.3984 174.3781 26 R 4.1930 7.9519 126.2964 57.1056 29.8543 175.0263 27 G 3.7900 8.8549 109.5359 44.2578 0.0000 173.9616 28 A 4.1219 8.7025 121.4641 54.3015 18.7212 177.5788 29 D 4.8564 7.2808 111.9778 53.1443 42.5766 176.2860 30 T 4.7259 8.3119 122.4284 61.4327 69.6990 172.7400 31 R 4.8309 8.9063 122.5494 53.6491 33.8077 174.6078 32 F 5.2067 8.8143 118.0818 57.9571 39.0523 175.4649 33 H 5.0166 8.8063 117.2421 56.1125 30.5864 173.5778 34 H 4.7087 7.5285 116.7602 55.1506 33.2399 172.1897 35 S 4.7265 8.2265 119.0494 56.4051 64.7773 172.4479 36 E 4.3747 8.9871 129.8129 55.1511 30.8297 174.9198 37 K 4.9524 8.5878 126.5793 55.3339 33.6731 175.9221 38 L 4.9532 8.9321 124.7579 53.0673 44.9131 176.2593 39 D 4.8434 9.0887 123.4422 52.6737 43.0422 175.8292 40 K 3.9588 8.8571 121.6902 58.7726 32.1857 176.9679 41 G 4.0229 9.2657 115.7778 45.0916 0.0000 173.3630 42 E 4.2291 7.9862 119.8181 56.2707 30.8165 175.9224 43 V 4.8776 8.3151 122.6336 61.0373 33.9380 174.2331 44 L 4.7358 9.0808 130.0981 53.2635 44.6810 174.7608 45 I 5.0340 8.4221 126.4329 59.5743 39.1529 174.7832 46 A 4.6813 8.9334 128.8102 50.1807 22.0740 175.2031 47 Q 4.8239 8.5926 120.7667 54.6671 30.5531 175.8562 48 F 4.6955 8.2629 120.4218 58.2826 39.8097 174.8831 49 T 4.6359 8.7871 111.0518 60.3427 71.9066 173.0991 50 E 4.0106 8.9782 121.6100 59.6813 29.4964 177.5147 51 H 4.5286 8.1315 113.9099 56.6913 29.7275 174.3070 52 T 5.5752 8.3648 116.5519 60.9785 70.8525 174.4904 53 S 4.9812 9.0543 119.8631 58.0085 65.1251 173.3241 54 A 5.0072 7.9463 121.8255 50.8807 22.7289 175.0683 55 I 4.9841 8.5779 120.9521 59.3727 40.6098 174.6572 56 K 4.5609 8.9070 128.4971 54.5282 34.5724 174.6669 57 V 4.7933 8.3918 126.8139 61.2192 33.4738 174.5837 58 R 4.5523 8.8699 127.0834 55.3485 32.7494 175.7216 59 G 4.0825 9.0227 109.1438 43.9862 0.0000 172.4733 60 K 4.4979 9.4909 120.8497 55.7824 33.1231 175.5386 61 A 5.0668 8.9039 127.9404 51.0409 23.4593 173.7243 62 Y 4.9657 9.0624 121.5431 56.1572 40.9585 174.5481 63 I 4.8917 8.5066 127.3041 59.4923 40.8068 174.3016 64 Q 5.0337 8.7229 125.8471 54.2734 31.7250 174.8898 65 T 4.7394 8.5619 112.6455 59.4587 72.5234 174.6226 66 R 3.7451 8.5730 121.0752 59.3648 29.8111 176.4215 67 H 4.6887 8.6506 112.4655 55.3066 29.6802 174.7171 68 G 3.7140 6.6841 106.5191 44.2341 0.0000 173.0417 69 V 4.7969 7.6736 113.1011 60.0135 34.8817 175.0460 70 I 4.3564 7.9380 120.1855 60.3864 41.9337 172.6357 71 E 5.3519 8.7183 126.3675 54.4654 31.9427 176.1045 72 S 4.5359 8.9142 119.2025 58.1924 64.8619 172.9050 73 E 4.9585 8.7384 120.3203 54.5410 32.7895 176.2523 74 G 3.7282 8.6629 111.0291 45.7004 0.0000 173.2821 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 5 T 8.17 4.33 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 6 N 7.96 4.76 0.00 2.79 2.83 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.77 4.47 0.00 4.13 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 8 D 8.59 4.80 0.00 2.77 2.72 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 9 F 7.89 5.24 0.00 2.93 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 10 V 8.81 4.59 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 0.55 0.00 0.00 0.83 0.00 0.00 11 V 8.71 4.84 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 1.03 0.00 0.00 1.16 0.00 0.00 12 I 9.05 4.96 1.86 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 1.08 0.51 0.90 0.00 0.00 13 K 9.14 5.05 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.83 4.44 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 15 L 8.76 4.63 0.00 1.68 1.72 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.64 4.67 0.00 2.03 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 2.35 2.32 0.00 17 D 8.37 4.47 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.86 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 0.00 0.00 0.00 19 V 7.65 3.84 2.08 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 0.97 0.00 0.00 1.00 0.00 0.00 20 N 9.15 5.28 0.00 2.65 2.62 0.00 0.00 6.24 8.53 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 21 V 8.89 4.46 2.03 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 0.98 0.00 0.00 0.89 0.00 0.00 22 I 8.64 4.48 1.48 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.26 -0.62 0.00 0.00 23 G 8.68 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 24 L 9.01 5.22 0.00 1.85 1.68 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.62 4.58 4.32 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 1.41 0.00 0.00 26 R 7.95 4.19 0.00 1.89 1.98 0.00 3.19 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.85 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.70 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.28 4.86 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.73 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 1.28 0.00 0.00 31 R 8.91 4.83 0.00 1.86 2.03 0.00 2.80 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 32 F 8.81 5.21 0.00 2.84 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 33 H 8.81 5.02 0.00 3.13 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.53 4.71 0.00 3.28 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.23 4.73 0.00 3.74 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 36 E 8.99 4.37 0.00 2.16 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 2.27 2.32 0.00 37 K 8.59 4.95 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.50 7.81 38 L 8.93 4.95 0.00 1.51 1.53 0.92 0.86 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 39 D 9.09 4.84 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 3.96 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 G 9.27 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 42 E 7.99 4.23 0.00 2.07 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 2.33 2.34 0.00 43 V 8.32 4.88 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.08 4.74 0.00 1.72 1.46 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.42 5.03 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.56 0.00 0.00 46 A 8.93 4.68 1.10 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 0.00 0.00 47 Q 8.59 4.82 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.26 4.70 0.00 3.05 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 49 T 8.79 4.64 4.29 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 1.25 0.00 0.00 50 E 8.98 4.01 0.00 1.91 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 2.05 2.28 0.00 51 H 8.13 4.53 0.00 3.22 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.36 5.58 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 1.40 0.00 0.00 53 S 9.05 4.98 0.00 3.82 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 54 A 7.95 5.01 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 55 I 8.58 4.98 1.88 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.84 0.00 0.00 56 K 8.91 4.56 0.00 1.79 1.51 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.39 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 8.87 4.55 0.00 1.76 1.80 0.00 3.19 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 59 G 9.02 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 60 K 9.49 4.50 0.00 1.82 1.92 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 61 A 8.90 5.07 1.26 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 0.00 0.00 0.00 62 Y 9.06 4.97 0.00 3.00 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 63 I 8.51 4.89 1.87 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 1.17 0.57 0.87 0.00 0.00 64 Q 8.72 5.03 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 65 T 8.56 4.74 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 1.16 0.00 0.00 66 R 8.57 3.75 0.00 1.58 1.75 0.00 3.11 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 67 H 8.65 4.69 0.00 3.19 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.68 3.71 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 0.00 0.00 0.00 69 V 7.67 4.80 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 0.70 0.00 0.00 1.02 0.00 0.00 70 I 7.94 4.36 1.84 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 1.23 0.96 0.86 0.00 0.00 71 E 8.72 5.35 0.00 1.92 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 2.53 2.47 0.00 72 S 8.91 4.54 0.00 3.94 3.99 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 73 E 8.74 4.96 0.00 1.83 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 2.21 2.29 0.00 74 G 8.66 3.73 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 0.00 0.00 0.00