NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3636 8.3044 120.3472 55.3283 33.7037 174.5676 2 L 4.4170 8.1499 126.7658 52.8081 45.2461 172.7084 3 L 5.2666 9.4059 129.2856 53.2398 45.4825 174.8032 4 L 4.9261 9.1253 125.7255 52.9122 45.0421 175.3432 5 R 5.0381 8.5288 121.8872 54.7050 32.9083 174.0849 6 I 4.5737 8.9879 127.4906 59.9159 39.6716 174.5846 7 T 5.2838 8.5316 123.3086 62.0423 70.8931 173.2332 8 M 4.4874 8.7578 122.3378 53.8333 35.2652 173.8915 9 L 4.5510 7.9170 119.2896 54.3279 42.4041 177.2553 10 E 4.4246 8.2116 122.6530 57.1111 29.7309 176.7081 11 G 3.6740 8.8835 109.7736 45.7053 0.0000 174.6212 12 R 4.3256 7.6397 119.0856 55.3029 31.4363 176.6149 13 S 4.5221 8.9344 116.1418 58.1158 65.5114 175.3697 14 T 4.0531 8.2703 112.4706 64.3869 68.7656 176.6869 15 E 4.0061 8.0883 120.3827 59.3441 29.7596 178.9404 16 Q 3.9958 8.1847 119.0242 58.7263 28.7400 178.9385 17 K 3.9904 7.9728 119.1624 59.3550 32.0850 179.3655 18 A 4.0247 8.0888 121.1954 54.9766 18.2677 179.3259 19 E 3.8995 8.3519 117.9888 59.2166 29.6984 178.9904 20 L 3.9569 8.0030 118.9495 57.8678 41.5970 179.4342 21 A 4.0315 7.9994 120.6658 54.9037 18.3588 179.7974 22 R 3.7848 8.1831 117.1030 59.6748 30.3038 178.6862 23 A 4.0589 8.4217 120.9893 54.9183 18.2840 179.6056 24 L 4.0225 8.0941 117.7038 57.7064 41.6497 179.6114 25 S 4.1242 7.9076 114.9129 61.7562 62.8850 176.7449 26 A 3.9657 7.9817 122.8258 54.9319 17.9886 179.6072 27 A 3.8557 8.1707 119.2425 55.0571 18.3983 179.6575 28 A 3.8132 8.3462 119.4482 55.2864 18.6148 179.4975 29 A 4.0396 8.2739 119.3084 55.4039 18.2653 179.8357 30 A 3.8462 7.9305 118.6209 55.2826 18.3693 179.6025 31 A 3.7700 7.8404 118.2393 54.7222 18.3752 178.9396 32 F 4.8895 7.7564 112.7945 56.0328 40.4883 175.9065 33 D 4.4481 7.5513 117.8242 55.8217 38.6560 173.8656 34 V 4.5606 7.5937 109.9439 58.4396 35.6608 174.9258 35 P 4.3039 0.0000 0.0000 62.5907 32.0841 177.0361 36 L 3.8142 8.9328 125.0090 58.3624 42.0253 179.0365 37 A 4.1147 7.9439 119.0058 54.5668 18.4062 177.7866 38 E 4.2414 8.1348 114.0423 57.3371 30.0613 176.7599 39 V 4.1441 7.7156 120.3060 62.6624 32.1353 175.4945 40 R 4.8508 8.6253 126.0536 54.4844 33.4576 174.6985 41 L 5.2636 8.3038 122.3025 53.7052 45.6130 175.1656 42 I 4.6834 8.9775 126.0012 59.5525 40.8411 174.2319 43 I 4.9078 8.4600 126.7117 59.6388 39.4763 174.9058 44 Q 4.6990 9.6918 126.1876 54.1705 31.7225 174.5074 45 E 5.8533 8.6964 122.3672 54.3227 32.7103 175.2808 46 V 4.6894 8.0015 114.0046 58.9853 36.6032 173.3306 47 P 4.8850 0.0000 0.0000 61.5714 32.4299 175.4420 48 P 4.3165 0.0000 0.0000 65.8217 31.0907 177.4623 49 T 4.2007 7.8915 107.1215 63.2615 69.0782 174.4729 50 H 4.9300 8.4840 118.1759 55.0573 29.9633 173.0150 51 W 4.7036 8.1271 130.2739 55.6569 32.7747 174.1700 52 T 5.1086 7.9346 121.5851 61.5995 71.6784 173.5803 53 V 4.3195 8.3928 124.6809 60.8634 33.9837 176.0411 54 G 3.6060 9.6582 110.8540 46.5911 0.0000 174.6931 55 G 3.9223 8.4916 106.3603 44.9986 0.0000 174.0082 56 I 4.4890 7.3976 121.5581 58.8478 39.6802 175.6207 57 S 4.7875 8.4774 119.7084 58.2224 63.6285 174.9312 58 M 4.0637 8.5561 122.0351 58.5955 32.1947 177.4181 59 A 4.1292 7.4487 120.8326 55.2869 18.5827 178.2316 60 E 4.3685 7.7717 115.1366 56.3841 26.9102 175.6676 61 L 4.6933 7.6540 119.7459 52.2608 43.1124 176.9982 62 R 4.2337 8.1835 120.4840 56.0385 30.6003 175.9023 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 4.36 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 L 8.15 4.42 0.00 1.85 1.48 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.41 5.27 0.00 1.64 1.47 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.13 4.93 0.00 1.60 1.55 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.53 5.04 0.00 1.78 1.78 0.00 3.23 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 6 I 8.99 4.57 1.89 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 1.25 0.87 0.92 0.00 0.00 7 T 8.53 5.28 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 8 M 8.76 4.49 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 9 L 7.92 4.55 0.00 1.27 1.49 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.21 4.42 0.00 1.81 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 2.34 2.13 0.00 11 G 8.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.33 0.00 1.78 1.97 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 13 S 8.93 4.52 0.00 4.23 3.98 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 14 T 8.27 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 1.20 0.00 0.00 15 E 8.09 4.01 0.00 2.17 2.24 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 2.35 2.33 0.00 16 Q 8.18 4.00 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 17 K 7.97 3.99 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.44 7.81 18 A 8.09 4.02 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.35 3.90 0.00 2.17 1.95 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 2.30 2.38 0.00 20 L 8.00 3.96 0.00 2.09 1.70 0.91 0.71 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 21 A 8.00 4.03 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 22 R 8.18 3.78 0.00 1.99 2.05 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 23 A 8.42 4.06 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 24 L 8.09 4.02 0.00 1.79 1.74 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.91 4.12 0.00 4.02 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 26 A 7.98 3.97 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 27 A 8.17 3.86 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 28 A 8.35 3.81 1.52 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 29 A 8.27 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.85 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 31 A 7.84 3.77 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.76 4.89 0.00 3.17 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 33 D 7.55 4.45 0.00 2.75 2.69 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 0.00 0.00 0.00 0.00 34 V 7.59 4.56 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 0.83 0.00 0.00 0.98 0.00 0.00 35 P 0.00 4.30 0.00 2.18 1.99 0.00 3.82 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 2.22 2.09 0.00 36 L 8.93 3.81 0.00 1.72 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.94 4.11 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 38 E 8.13 4.24 0.00 2.13 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 0.00 2.32 2.24 0.00 39 V 7.72 4.14 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 0.77 0.00 0.00 0.97 0.00 0.00 40 R 8.63 4.85 0.00 1.79 1.79 0.00 3.31 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 41 L 8.30 5.26 0.00 1.61 1.48 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.98 4.68 1.89 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 1.24 0.55 0.93 0.00 0.00 43 I 8.46 4.91 1.88 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 1.35 0.58 0.91 0.00 0.00 44 Q 9.69 4.70 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 45 E 8.70 5.85 0.00 1.91 1.83 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 2.30 2.15 0.00 46 V 8.00 4.69 2.23 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 0.97 0.00 0.00 1.19 0.00 0.00 47 P 0.00 4.88 0.00 2.03 2.24 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 48 P 0.00 4.32 0.00 2.22 2.24 0.00 3.75 0.00 0.00 3.70 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 49 T 7.89 4.20 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 1.23 0.00 0.00 50 H 8.48 4.93 0.00 3.32 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.13 4.70 0.00 3.43 2.88 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 0.00 0.00 0.00 52 T 7.93 5.11 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 53 V 8.39 4.32 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 0.97 0.00 0.00 0.98 0.00 0.00 54 G 9.66 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 0.00 0.00 0.00 55 G 8.49 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 56 I 7.40 4.49 1.89 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 0.71 0.94 0.00 0.00 57 S 8.48 4.79 0.00 4.20 4.04 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 58 M 8.56 4.06 0.00 2.06 2.47 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 59 A 7.45 4.13 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 60 E 7.77 4.37 0.00 2.18 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 0.00 2.36 2.34 0.00 61 L 7.65 4.69 0.00 1.57 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.18 4.23 0.00 1.74 1.79 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00