NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.3319 8.1849 120.6291 54.9465 42.1751 175.1408 22 V 4.4735 7.6419 120.9877 58.8800 34.3337 172.8509 23 E 3.7914 9.1915 121.3707 60.1119 30.2512 179.4330 24 A 4.0241 7.9625 120.6447 54.4644 18.4690 177.2853 25 P 4.5240 0.0000 0.0000 64.6450 31.4715 178.5298 26 V 3.6834 7.4071 119.4356 64.6549 31.0604 177.9915 27 E 4.0079 8.0445 120.0361 59.0338 29.2595 178.5715 28 F 4.4163 7.9786 120.1537 60.5108 39.3395 176.5195 29 V 4.1221 7.5767 116.6247 61.8668 31.0907 177.8715 30 R 3.7338 7.6476 119.7018 59.4507 29.8465 177.4004 31 E 4.4548 7.7195 117.1268 57.1425 29.7055 177.7873 32 G 3.8993 7.2282 104.5726 45.3981 0.0000 174.0091 33 T 4.6379 7.6379 108.7022 61.3429 70.3284 174.6664 34 Q 4.2539 7.6161 118.4842 57.6718 29.4916 177.8810 35 F 4.2432 7.9281 118.7617 60.6714 39.3745 175.4765 36 L 3.9393 7.7977 118.3543 54.8826 42.3379 175.9759 37 A 4.5421 7.3888 118.2613 52.4381 19.2937 176.7718 38 K 4.3383 7.7936 118.2695 56.4198 31.1849 175.7797 39 C 4.5825 7.8648 119.9015 58.9545 32.6360 174.1137 40 K 3.7552 8.6544 121.7949 57.3693 29.6536 175.9882 41 K 4.1325 7.7113 117.7795 55.3926 33.1183 175.9410 42 P 4.4299 0.0000 0.0000 62.9401 31.8638 176.2181 43 D 4.6955 8.0649 122.8808 52.3707 41.1003 176.6582 44 L 4.4745 8.3212 116.8850 55.6448 41.7905 178.6498 45 K 4.4623 7.9754 118.2875 57.4775 33.6535 178.6301 46 E 4.0974 8.3343 118.5273 59.2597 29.3653 178.3110 47 Y 4.2136 8.0637 119.5936 61.0346 38.9663 178.2595 48 T 3.6902 7.6030 115.3902 66.5099 68.2989 176.8657 49 K 4.0004 7.4962 118.3279 59.3416 32.1805 179.2363 50 I 3.8197 7.6495 120.1589 64.3349 37.1874 178.6441 51 V 3.4209 7.5175 119.3908 65.3363 31.4572 177.4990 52 K 4.2800 8.0147 116.4596 57.7213 33.0823 177.5482 53 A 4.6782 7.5405 121.4801 51.9514 19.3593 177.5387 54 V 4.2572 7.4980 115.2373 62.2611 32.4124 175.6810 55 G 3.9949 7.7064 107.7805 47.2607 0.0000 176.7292 56 I 3.7250 7.8184 121.1216 63.7832 37.2003 177.6981 57 G 3.9571 7.6985 106.0722 45.6503 0.0000 173.5904 58 F 4.8230 8.0000 120.4292 57.3230 40.6469 175.6921 59 I 4.2461 7.6189 116.7266 61.7067 37.9576 176.3806 60 A 4.1012 7.8524 121.7081 55.4216 17.7499 179.6734 61 V 3.7686 7.7022 116.4999 65.9064 31.4983 177.6928 62 G 3.5605 7.1202 101.1112 45.6176 0.0000 174.1358 63 I 4.4946 7.4517 118.7957 60.6941 39.7173 177.0463 64 I 3.9460 7.2268 118.9029 64.3174 36.8519 177.9764 65 G 3.8728 7.6901 103.9895 46.4310 0.0000 175.1673 66 Y 4.2900 7.9253 121.7407 60.6078 38.7187 177.0514 67 A 3.8779 7.7598 121.2439 55.0994 18.0514 179.7163 68 I 3.6259 7.3573 116.9025 64.4910 37.3682 178.6777 69 K 3.9890 7.6855 119.2958 59.3163 31.7843 178.9037 70 L 3.9312 7.4161 118.2484 57.0187 41.5933 178.3291 71 I 4.1421 6.9161 115.7570 61.6610 38.6355 176.5553 72 H 4.2435 7.7275 118.8094 59.8535 29.5689 177.0583 73 I 3.7553 7.4159 120.7149 63.9503 37.0030 176.5799 74 P 4.4481 0.0000 0.0000 65.2978 31.0540 178.6425 75 I 3.7069 7.4913 118.7863 64.1457 36.8138 177.8214 76 R 4.3918 7.5692 118.6715 57.3244 30.0762 177.5245 77 Y 4.3024 7.7498 118.4970 61.0597 39.1070 177.0372 78 V 3.5879 7.6341 117.7551 63.9668 31.6740 175.9206 79 I 4.3610 7.3440 120.6398 58.9986 38.8499 176.0857 80 V 3.7804 8.3268 124.0958 61.9026 31.3502 175.9685 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 21 L 8.18 4.33 0.00 1.64 1.74 0.93 0.58 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 22 V 7.64 4.47 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 0.79 0.00 0.00 0.92 0.00 0.00 23 E 9.19 3.79 0.00 2.04 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 2.39 2.39 0.00 24 A 7.96 4.02 1.29 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 0.00 0.00 0.00 25 P 0.00 4.52 0.00 2.30 2.29 0.00 3.74 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 2.05 2.00 0.00 26 V 7.41 3.68 2.11 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 0.95 0.00 0.00 0.95 0.00 0.00 27 E 8.04 4.01 0.00 2.11 2.32 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 2.35 2.50 0.00 28 F 7.98 4.42 0.00 3.09 3.24 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 29 V 7.58 4.12 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 0.92 0.00 0.00 0.97 0.00 0.00 30 R 7.65 3.73 0.00 2.15 2.14 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 31 E 7.72 4.45 0.00 1.99 1.90 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 2.25 2.42 0.00 32 G 7.23 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 33 T 7.64 4.64 4.26 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 1.30 0.00 0.00 34 Q 7.62 4.25 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 35 F 7.93 4.24 0.00 2.99 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 36 L 7.80 3.94 0.00 1.57 1.62 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.39 4.54 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 38 K 7.79 4.34 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.39 7.81 39 C 7.86 4.58 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.76 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 41 K 7.71 4.13 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.40 7.81 42 P 0.00 4.43 0.00 2.21 2.09 0.00 3.73 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 1.95 1.95 0.00 43 D 8.06 4.70 0.00 2.89 2.87 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 44 L 8.32 4.47 0.00 1.77 1.80 0.92 0.79 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 45 K 7.98 4.46 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.54 7.81 46 E 8.33 4.10 0.00 2.19 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 0.00 2.41 2.51 0.00 47 Y 8.06 4.21 0.00 3.18 3.17 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 48 T 7.60 3.69 4.35 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 1.16 0.00 0.00 49 K 7.50 4.00 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 50 I 7.65 3.82 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.90 0.00 0.00 51 V 7.52 3.42 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 0.89 0.00 0.00 0.26 0.00 0.00 52 K 8.01 4.28 0.00 2.03 1.98 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.41 7.81 53 A 7.54 4.68 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 54 V 7.50 4.26 2.11 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 0.85 0.00 0.00 0.95 0.00 0.00 55 G 7.71 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 0.00 0.00 0.00 56 I 7.82 3.73 1.95 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 1.15 0.91 0.00 0.00 57 G 7.70 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.00 4.82 0.00 3.21 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 59 I 7.62 4.25 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 1.52 0.97 0.99 0.00 0.00 60 A 7.85 4.10 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 61 V 7.70 3.77 1.90 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 0.81 0.00 0.00 0.99 0.00 0.00 62 G 7.12 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.45 4.49 1.86 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 1.67 1.54 0.96 0.00 0.00 64 I 7.23 3.95 1.85 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 1.45 1.04 0.91 0.00 0.00 65 G 7.69 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 0.00 0.00 0.00 66 Y 7.93 4.29 0.00 3.06 2.97 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 67 A 7.76 3.88 1.39 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 0.00 0.00 0.00 68 I 7.36 3.63 1.86 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 1.40 1.01 0.91 0.00 0.00 69 K 7.69 3.99 0.00 1.98 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 70 L 7.42 3.93 0.00 1.41 1.52 0.35 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 71 I 6.92 4.14 1.82 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 1.39 0.79 0.98 0.00 0.00 72 H 7.73 4.24 0.00 3.44 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.42 3.76 1.86 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 1.55 1.34 0.91 0.00 0.00 74 P 0.00 4.45 0.00 2.29 2.17 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 75 I 7.49 3.71 1.87 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 1.37 0.86 0.86 0.00 0.00 76 R 7.57 4.39 0.00 1.75 1.98 0.00 3.17 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 77 Y 7.75 4.30 0.00 2.93 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.63 3.59 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 0.99 0.00 0.00 79 I 7.34 4.36 1.94 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 1.32 0.75 0.89 0.00 0.00 80 V 8.33 3.78 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 0.64 0.00 0.00 0.92 0.00 0.00