NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3361 8.3049 118.1960 54.8215 32.4633 174.4777 2 K 3.9458 8.4390 119.3456 55.7355 31.1244 175.7007 3 R 4.2570 8.3675 124.2053 56.0096 32.0716 176.3687 4 T 3.9992 8.4539 112.1709 64.5003 67.5334 174.4899 5 W 4.5795 8.1367 131.8532 56.6285 29.9268 175.4784 6 Q 4.1353 7.6518 126.1787 52.7673 28.2658 173.9357 7 P 3.4446 0.0000 0.0000 62.6928 32.2094 176.8374 8 N 4.3617 7.9144 115.9131 51.9461 41.7581 175.5635 9 R 3.9674 8.4877 128.2767 59.1707 30.3090 178.9930 10 R 3.8276 7.8774 118.0202 59.2611 30.3017 177.8485 11 K 3.7536 8.1024 119.0714 59.7833 31.9398 177.9484 12 R 3.9682 7.9773 118.1477 59.6233 30.1468 178.2682 13 A 4.0467 8.0975 120.3225 55.1400 18.2403 179.5410 14 K 4.0063 8.6063 116.9745 58.9683 32.2130 178.1741 15 T 4.3191 7.6128 114.4431 65.2399 69.5738 175.2652 16 H 4.7728 8.2326 114.7296 55.2462 29.5979 175.7191 17 G 3.9193 7.7698 109.5124 45.2311 0.0000 174.6197 18 F 3.9717 9.0429 121.9025 61.3340 39.5592 177.3838 19 R 4.3020 8.3171 116.6990 59.3545 29.9305 178.3657 20 A 4.0027 8.1201 119.7998 55.6729 18.3761 179.6544 21 R 3.8447 8.4438 116.3258 59.3787 29.8682 178.5860 22 M 4.0900 7.7055 116.8665 56.8359 32.3578 178.1044 23 R 3.9926 8.1146 119.2044 58.0256 30.8161 176.3161 24 T 4.5406 7.1366 112.3675 59.7057 68.9936 173.4224 25 P 4.3570 0.0000 0.0000 65.4535 31.6412 178.9801 26 G 3.7573 8.2516 106.2001 47.8444 0.0000 175.4355 27 G 4.2684 8.0693 109.5452 47.2466 0.0000 175.2392 28 R 3.8417 8.3006 120.8947 58.8814 30.0747 179.3389 29 K 3.9737 7.9450 117.9360 59.2209 32.0290 179.4953 30 V 3.5366 7.8543 118.6355 65.9366 31.4508 177.7580 31 L 3.8556 7.8723 118.1599 57.9015 41.3976 179.1960 32 K 3.8637 8.0594 119.1114 59.6893 31.9958 178.8756 33 R 3.9076 8.2035 118.2774 59.4080 30.0486 179.2506 34 R 3.9244 8.5065 118.0813 59.2688 30.0382 179.4551 35 R 3.9305 8.4597 118.1937 59.2063 29.9021 178.6811 36 Q 3.9356 8.0900 118.2661 59.3316 29.1860 178.3719 37 K 4.1050 8.0310 118.9086 57.4662 32.2673 176.7236 38 G 3.8963 7.9811 106.5410 46.1620 0.0000 174.0473 39 R 4.1536 7.7739 117.6481 55.8363 30.5601 177.5422 40 W 4.5605 8.6829 119.6213 58.2219 29.7640 177.0289 41 R 4.5323 7.7213 117.1982 54.3847 31.4033 175.4779 42 L 4.2561 8.6211 122.9251 56.3497 41.9113 177.4928 43 T 4.3317 7.4538 109.9151 60.2691 70.6893 170.9946 44 P 4.2532 0.0000 0.0000 63.0136 31.8706 176.1723 45 A 4.4710 8.2911 124.2946 51.9099 19.7108 176.5622 46 V 4.6377 7.7982 117.1342 62.3295 35.5630 175.8118 47 R 4.6275 7.9623 121.7627 55.7389 28.8760 176.8634 48 K 4.4779 8.7895 128.1927 57.3651 31.7742 175.4764 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 M 8.30 4.34 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.44 3.95 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.37 4.26 0.00 1.85 1.97 0.00 3.39 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 8.45 4.00 4.30 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 1.29 0.00 0.00 5 W 8.14 4.58 0.00 3.36 3.06 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 0.00 0.00 0.00 0.00 6 Q 7.65 4.14 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 7 P 0.00 3.44 0.00 1.93 2.02 0.00 3.46 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 8 N 7.91 4.36 0.00 2.59 2.48 0.00 0.00 7.09 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 9 R 8.49 3.97 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 10 R 7.88 3.83 0.00 1.87 1.90 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 11 K 8.10 3.75 0.00 1.86 1.94 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 R 7.98 3.97 0.00 2.18 2.16 0.00 3.55 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.10 4.05 1.37 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 0.00 0.00 14 K 8.61 4.01 0.00 1.88 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 T 7.61 4.32 4.30 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 0.88 0.00 0.00 16 H 8.23 4.77 0.00 3.16 3.34 0.00 5.66 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 17 G 7.77 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 18 F 9.04 3.97 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.30 0.00 1.95 2.05 0.00 3.54 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 20 A 8.12 4.00 1.34 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 0.00 0.00 0.00 21 R 8.44 3.84 0.00 1.76 1.88 0.00 3.23 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 22 M 7.71 4.09 0.00 2.01 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 23 R 8.11 3.99 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 24 T 7.14 4.54 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 1.20 0.00 0.00 25 P 0.00 4.36 0.00 2.25 2.16 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 26 G 8.25 3.76 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 0.00 0.00 0.00 27 G 8.07 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 0.00 0.00 0.00 0.00 28 R 8.30 3.84 0.00 1.82 1.99 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 29 K 7.95 3.97 0.00 2.00 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.58 7.81 30 V 7.85 3.54 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 0.84 0.00 0.00 0.97 0.00 0.00 31 L 7.87 3.86 0.00 1.78 1.62 0.70 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.06 3.86 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 8.20 3.91 0.00 2.02 1.95 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 34 R 8.51 3.92 0.00 1.92 2.00 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 35 R 8.46 3.93 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 36 Q 8.09 3.94 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 K 8.03 4.10 0.00 1.78 1.90 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.45 7.81 38 G 7.98 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 39 R 7.77 4.15 0.00 2.02 1.94 0.00 3.32 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 40 W 8.68 4.56 0.00 3.24 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 41 R 7.72 4.53 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 42 L 8.62 4.26 0.00 1.73 1.74 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.45 4.33 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 44 P 0.00 4.25 0.00 2.15 2.03 0.00 3.79 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 2.09 2.10 0.00 45 A 8.29 4.47 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 46 V 7.80 4.64 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 0.81 0.00 0.00 1.00 0.00 0.00 47 R 7.96 4.63 0.00 1.86 0.91 0.00 3.48 0.00 0.00 3.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 48 K 8.79 4.48 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.51 7.81