NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2515 8.1731 120.6113 55.4602 43.4494 174.0571 5 G 3.5124 8.0170 114.8781 43.9711 0.0000 174.2691 6 A 3.7428 7.8703 120.6018 51.5518 17.3675 176.7687 7 S 4.0019 5.9279 116.9937 59.4828 64.2019 176.5012 8 W 4.3292 6.1997 116.1433 57.9669 28.4040 176.1128 9 H 4.6197 7.0730 119.3865 54.7082 27.7954 174.5747 10 R 4.0687 7.9707 121.5339 54.2394 30.3185 175.3782 11 P 4.2580 0.0000 0.0000 63.3008 30.8801 176.4734 12 D 4.6403 8.3737 125.2398 53.7057 39.1511 176.4387 13 K 4.6215 8.1749 120.8640 56.5243 32.4833 177.6957 14 C 4.7643 7.6588 116.6519 56.1626 41.3835 172.5406 15 C 5.1170 8.2017 119.0000 54.8306 42.8637 174.1996 16 L 3.9427 8.4456 123.4601 57.6522 41.9549 177.2600 17 G 4.0216 7.3729 104.0365 44.1202 0.0000 171.1604 18 Y 4.9868 7.8815 117.3530 56.0733 39.7943 175.1143 19 Q 4.3280 9.0354 124.2916 56.1589 29.5056 176.6415 20 K 4.2053 8.6242 124.8544 58.6765 32.7224 177.8568 21 R 3.8664 7.5210 117.6733 54.7268 30.6083 174.3202 22 P 3.6994 0.0000 0.0000 61.9659 31.4417 176.3853 23 L 4.1762 7.9613 123.7539 53.7054 42.1382 176.4809 24 P 4.4719 0.0000 0.0000 63.8671 29.5616 178.5987 25 Q 3.1699 7.1992 127.2622 59.4988 31.5524 178.7759 26 V 3.5650 7.8442 115.1675 65.8805 31.5966 176.8271 27 L 4.0397 9.1542 121.8651 57.5318 42.0769 176.8369 28 L 4.5775 7.5832 117.8285 54.0928 42.4879 176.3311 29 S 4.8823 8.8875 115.8450 58.9717 65.3376 173.5899 30 S 5.0064 7.8586 113.4656 57.5979 66.2362 174.4395 31 W 5.9338 9.0812 117.8759 55.3127 31.1426 173.5735 32 Y 4.7129 8.8813 123.9664 54.7582 39.6701 173.0826 33 P 5.0592 0.0000 0.0000 62.9826 32.2665 175.6739 34 T 4.3050 9.5014 116.7315 60.5644 70.1188 174.6635 35 S 4.1403 8.9020 120.2341 58.9589 62.9952 174.5461 36 Q 4.2609 8.9104 126.7536 57.4371 29.0181 176.4347 37 L 4.2814 7.5951 116.2455 57.7423 42.5839 178.1839 38 C 4.7454 7.7059 118.8085 56.5510 40.7509 173.7637 39 S 4.2693 8.8225 116.0456 62.0828 62.7581 174.4389 40 K 4.8512 7.4779 117.5930 53.3036 36.5054 173.9272 41 P 4.4216 0.0000 0.0000 63.1390 32.0971 175.5905 42 G 4.5241 9.6251 110.6983 44.6056 0.0000 171.6216 43 V 4.6463 8.7690 119.7103 59.7983 34.4122 174.7937 44 I 4.1593 7.4177 126.6259 60.4072 38.5224 175.0804 45 F 5.5464 9.0252 125.7010 56.4146 41.3289 174.8736 46 L 5.1982 9.3274 123.7831 53.5999 43.1962 176.7061 47 T 4.7674 8.4861 114.7206 60.5101 70.5284 176.0631 48 K 4.0404 8.4337 121.2888 58.5912 31.9970 178.2551 49 R 4.2964 7.9795 116.3981 55.7463 30.7445 176.8031 50 G 3.8933 8.7570 106.5641 46.0402 0.0000 173.4483 51 R 4.6047 7.8072 117.9514 54.8623 32.0588 175.6802 52 Q 5.0031 8.6502 121.2754 55.0362 30.8017 175.8435 53 V 4.4136 8.4942 122.1622 61.2885 34.4180 173.5294 54 C 4.9097 8.9012 126.0462 56.8481 39.7738 172.8522 55 A 5.0094 8.2809 123.6868 49.9161 22.9877 174.6835 56 D 3.5553 7.3838 119.3087 52.8202 41.6777 177.5064 57 K 3.4549 7.7035 128.3328 58.8219 32.2570 177.5432 58 S 4.2564 7.9588 111.5848 58.8445 63.6748 174.8528 59 K 4.1543 7.5729 122.8946 56.1282 33.6774 176.2334 60 D 4.2175 8.8231 123.1335 57.8595 40.6296 179.0166 61 W 4.4217 8.2261 117.4434 59.6276 27.9340 178.4312 62 V 3.1442 6.3313 119.0756 65.3986 31.0123 177.7281 63 K 3.5383 7.7726 118.6987 59.8145 32.0356 179.0413 64 K 3.8511 8.2444 119.8792 59.2947 31.9230 179.2769 65 L 3.8491 7.5408 119.1909 58.0369 41.2405 179.3925 66 M 3.1276 7.7762 117.5736 58.2070 31.7871 178.2599 67 Q 4.2294 7.9232 116.0651 57.1543 29.0997 177.4272 68 Q 4.2186 7.4336 120.8785 57.1831 29.9821 175.1681 69 L 4.7853 7.9310 120.4431 53.8670 42.5807 174.2215 70 P 4.7693 0.0000 0.0000 62.5193 33.4878 174.9767 71 V 3.8903 7.7449 112.7721 59.8757 31.3859 176.8479 72 T 4.0492 7.9634 121.5839 63.6171 68.9499 175.4666 73 A 4.0854 8.6844 128.3920 54.0307 19.1088 177.5870 74 R 4.0764 7.0979 116.5418 56.3483 30.1742 176.2722 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 4 L 8.17 4.25 0.00 1.61 1.68 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.02 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 6 A 7.87 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 5.93 4.00 0.00 3.79 3.64 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 8 W 6.20 4.33 0.00 3.43 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.07 4.62 0.00 3.33 3.28 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.97 4.07 0.00 1.95 1.91 0.00 3.10 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 11 P 0.00 4.26 0.00 2.21 2.15 0.00 3.75 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 1.99 1.98 0.00 12 D 8.37 4.64 0.00 2.75 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 13 K 8.17 4.62 0.00 1.87 2.11 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.52 7.81 14 C 7.66 4.76 0.00 2.91 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 C 8.20 5.12 0.00 2.87 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 16 L 8.45 3.94 0.00 1.54 1.64 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.37 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 18 Y 7.88 4.99 0.00 3.21 2.98 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 0.00 0.00 0.00 19 Q 9.04 4.33 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 20 K 8.62 4.21 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.51 7.81 21 R 7.52 3.87 0.00 1.69 1.71 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 22 P 0.00 3.70 0.00 2.02 1.81 0.00 3.58 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 23 L 7.96 4.18 0.00 1.68 1.66 1.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.47 0.00 2.20 2.19 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 25 Q 7.20 3.17 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 26 V 7.84 3.57 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 0.77 0.00 0.00 0.92 0.00 0.00 27 L 9.15 4.04 0.00 1.77 1.71 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.58 4.58 0.00 1.63 1.55 0.21 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.89 4.88 0.00 3.84 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 30 S 7.86 5.01 0.00 3.98 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 31 W 9.08 5.93 0.00 3.40 3.85 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 32 Y 8.88 4.71 0.00 3.04 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 P 0.00 5.06 0.00 2.22 2.46 0.00 3.70 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 34 T 9.50 4.31 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 S 8.90 4.14 0.00 3.95 3.83 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 36 Q 8.91 4.26 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 37 L 7.60 4.28 0.00 1.72 1.72 0.93 0.85 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 C 7.71 4.75 0.00 3.01 2.99 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 39 S 8.82 4.27 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.85 0.00 1.71 1.85 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.46 7.81 41 P 0.00 4.42 0.00 2.05 2.31 0.00 3.72 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 2.03 1.96 0.00 42 G 9.63 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 4.65 1.82 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 0.12 0.00 0.00 0.21 0.00 0.00 44 I 7.42 4.16 0.56 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 1.11 0.00 0.00 45 F 9.03 5.55 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.33 5.20 0.00 1.72 1.71 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.49 4.77 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 48 K 8.43 4.04 0.00 1.72 1.94 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.50 1.49 7.81 49 R 7.98 4.30 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 50 G 8.76 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 51 R 7.81 4.60 0.00 1.89 1.91 0.00 3.16 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 52 Q 8.65 5.00 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.05 0.00 0.00 0.00 0.00 0.00 2.55 2.73 0.00 53 V 8.49 4.41 2.41 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 1.32 0.00 0.00 1.09 0.00 0.00 54 C 8.90 4.91 0.00 3.26 3.19 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 55 A 8.28 5.01 0.64 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 0.00 0.00 56 D 7.38 3.56 0.00 2.32 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 0.00 0.00 0.00 0.00 57 K 7.70 3.45 0.00 1.39 1.57 0.00 1.45 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.24 7.81 58 S 7.96 4.26 0.00 3.93 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 59 K 7.57 4.15 0.00 1.37 1.18 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.35 1.58 7.81 60 D 8.82 4.22 0.00 2.74 2.66 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 61 W 8.23 4.42 0.00 3.63 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 62 V 6.33 3.14 1.56 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 0.42 0.00 0.00 -1.27 0.00 0.00 63 K 7.77 3.54 0.00 1.81 1.98 0.00 1.28 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.38 7.81 64 K 8.24 3.85 0.00 1.97 1.89 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.64 7.81 65 L 7.54 3.85 0.00 1.52 0.81 0.87 0.76 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 66 M 7.78 3.13 0.00 0.51 1.71 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.71 0.00 67 Q 7.92 4.23 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 68 Q 7.43 4.22 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 69 L 7.93 4.79 0.00 1.89 1.74 0.71 0.96 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 70 P 0.00 4.77 0.00 2.13 2.29 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 71 V 7.74 3.89 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 0.17 0.00 0.00 0.71 0.00 0.00 72 T 7.96 4.05 4.24 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 1.19 0.00 0.00 73 A 8.68 4.09 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 74 R 7.10 4.08 0.00 1.64 1.68 0.00 3.13 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00