NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4102 0.0000 0.0000 61.9257 32.6420 176.1623 2 K 3.9752 8.6226 121.8592 55.8583 32.5370 175.4831 3 I 3.8697 9.3509 125.9217 61.5049 38.5672 175.4050 4 K 4.3819 8.5077 124.7219 55.5683 33.0884 176.5392 5 T 4.2754 8.2523 113.6963 60.8050 69.9804 176.2923 6 V 3.8271 8.7336 124.9744 62.4952 29.9164 176.6754 7 R 3.9973 8.4670 123.6750 59.3246 29.9939 177.9665 8 G 3.8785 8.2451 103.2072 48.1414 0.0000 174.7625 9 A 4.4085 8.2707 122.4492 54.6217 18.4084 178.9802 10 A 4.2404 7.6338 115.7346 53.2137 18.0715 177.8384 11 K 4.6103 8.0093 114.2773 56.6982 32.9059 176.6970 12 R 4.4487 8.2169 115.7340 55.2754 31.9599 174.4106 13 F 4.9643 7.6447 115.0582 55.7422 43.3619 174.8902 14 K 4.3759 9.1195 116.7018 55.5939 34.2039 173.9775 15 K 3.4407 8.9442 128.0225 56.9131 32.4751 176.4023 16 T 4.5611 8.3677 119.0943 60.7359 69.8589 175.2215 17 G 3.8762 8.6404 108.3833 48.3092 0.0000 173.6277 18 K 4.0662 7.4018 121.0583 55.5854 34.9441 176.9014 19 G 3.7823 9.1392 104.7511 48.6786 0.0000 173.1140 20 G 4.1231 7.5404 109.6397 44.6440 0.0000 173.6042 21 F 4.5325 8.8333 117.5062 55.8220 41.5593 172.5456 22 K 4.1077 8.5340 127.0149 56.1823 33.3939 173.4025 23 H 5.0399 9.3327 124.2938 54.3979 29.9832 171.7685 24 K 4.5262 8.3788 119.0838 54.7895 34.6421 176.4504 25 H 4.4196 8.6338 122.3153 55.8317 29.1330 175.1931 26 A 4.4617 8.3641 125.1810 51.8505 20.7946 177.1267 27 N 4.8649 8.8028 112.8045 54.4627 36.1036 174.4081 28 L 4.9356 7.1990 117.6727 54.2004 42.5677 177.1197 29 R 4.5213 7.3191 108.7888 54.6436 29.5054 173.7696 30 H 4.3089 8.7038 114.4734 58.3529 32.2899 174.1249 31 I 3.1894 8.0293 117.9917 62.3660 35.3208 172.6423 32 L 4.5633 7.6961 126.4935 55.0460 44.0654 178.6084 33 T 3.8264 8.1055 112.6196 64.6567 67.1418 174.1128 34 K 4.6120 7.7390 118.8076 56.6174 33.3225 176.2870 35 K 4.4497 8.0669 117.9909 54.5650 35.6340 176.9537 36 A 3.9460 8.7645 125.1641 52.9672 19.1666 178.1741 37 T 3.8238 8.7561 115.8542 65.0262 68.5471 176.3304 38 K 3.7376 7.9195 121.6532 59.2927 32.1463 178.1511 39 R 3.8412 7.8924 117.0708 59.8529 30.1442 178.0318 40 K 4.1306 8.0656 117.8337 59.2777 31.8564 179.2714 41 R 4.2426 8.3092 118.1121 58.5525 29.8970 177.1682 42 H 4.9909 7.6253 114.0388 55.6615 29.3590 174.7799 43 L 4.6763 8.2318 121.5476 54.9603 44.0226 178.3706 44 R 4.0746 8.2578 117.2803 58.4496 30.1664 175.6499 45 P 4.4581 0.0000 0.0000 62.4510 31.9579 175.8392 46 K 4.4596 8.2458 118.4745 56.2516 33.1786 176.2439 47 A 4.7128 8.0002 123.2090 50.2702 22.5832 175.9539 48 M 4.4968 8.6251 120.2338 54.9842 33.3870 176.7617 49 V 3.9327 8.5419 114.7586 61.2652 32.4080 177.7526 50 S 4.1358 8.9936 119.3739 59.0786 63.0736 176.4933 51 K 3.9294 8.9243 119.0885 57.5183 31.2597 176.6193 52 G 3.8439 8.2745 107.0552 47.2544 0.0000 174.7322 53 D 4.6909 7.4515 118.6925 53.7729 42.0425 177.9742 54 L 3.9540 8.1501 121.6388 58.3710 41.5449 178.6500 55 G 3.7859 8.1302 103.9429 47.9692 0.0000 175.0597 56 L 4.0468 7.9280 121.2302 57.4649 41.7688 179.4875 57 V 3.0393 7.4986 117.5863 65.7213 31.5446 177.4693 58 I 4.2487 7.3554 118.2172 60.4958 36.3284 175.9170 59 A 4.6619 7.3887 120.1073 53.2750 25.7623 177.9925 60 C 4.3164 7.9689 112.8622 60.9613 29.3055 173.2911 61 L 4.8813 7.2237 118.8082 52.0433 41.4355 174.9149 62 P 4.1491 0.0000 0.0000 65.5943 31.8918 177.4476 63 Y 4.2924 8.0101 111.9571 57.3320 38.2598 175.3122 64 A 4.3044 7.9843 129.1754 52.8785 18.4284 177.7291 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 P 0.00 4.41 0.00 2.21 2.14 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 2 K 8.62 3.98 0.00 1.84 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.54 7.81 3 I 9.35 3.87 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.97 0.00 0.00 4 K 8.51 4.38 0.00 1.76 1.74 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 T 8.25 4.28 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 1.36 0.00 0.00 6 V 8.73 3.83 2.14 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 1.12 0.00 0.00 0.94 0.00 0.00 7 R 8.47 4.00 0.00 1.94 2.02 0.00 3.32 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 8 G 8.25 3.88 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 0.00 0.00 0.00 9 A 8.27 4.41 1.36 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 0.00 0.00 0.00 10 A 7.63 4.24 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 11 K 8.01 4.61 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.69 7.81 12 R 8.22 4.45 0.00 1.34 1.48 0.00 3.21 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 13 F 7.64 4.96 0.00 2.86 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 14 K 9.12 4.38 0.00 1.80 1.77 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.50 7.81 15 K 8.94 3.44 0.00 1.64 1.62 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 0.82 7.81 16 T 8.37 4.56 4.21 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 1.26 0.00 0.00 17 G 8.64 3.88 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 0.00 0.00 0.00 18 K 7.40 4.07 0.00 1.78 1.55 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.39 7.81 19 G 9.14 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.54 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.83 4.53 0.00 3.32 3.32 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 22 K 8.53 4.11 0.00 1.89 1.83 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.37 7.81 23 H 9.33 5.04 0.00 2.92 2.98 0.00 5.45 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.38 4.53 0.00 1.62 1.64 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.32 7.81 25 H 8.63 4.42 0.00 3.42 3.20 0.00 5.74 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 26 A 8.36 4.46 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 27 N 8.80 4.86 0.00 2.85 2.90 0.00 0.00 6.50 7.85 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 28 L 7.20 4.94 0.00 1.48 1.59 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.32 4.52 0.00 1.90 1.92 0.00 3.13 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 30 H 8.70 4.31 0.00 3.04 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.03 3.19 1.77 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 1.39 0.82 0.82 0.00 0.00 32 L 7.70 4.56 0.00 1.72 1.65 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.11 3.83 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 34 K 7.74 4.61 0.00 1.88 1.86 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.43 7.81 35 K 8.07 4.45 0.00 1.87 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.34 7.81 36 A 8.76 3.95 1.27 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 37 T 8.76 3.82 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 38 K 7.92 3.74 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.31 7.81 39 R 7.89 3.84 0.00 1.81 2.20 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 40 K 8.07 4.13 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.67 7.81 41 R 8.31 4.24 0.00 1.93 2.06 0.00 3.23 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 42 H 7.63 4.99 0.00 3.29 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.23 4.68 0.00 1.71 1.68 0.91 0.72 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 44 R 8.26 4.07 0.00 1.82 2.01 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 45 P 0.00 4.46 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 46 K 8.25 4.46 0.00 1.63 1.85 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 47 A 8.00 4.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.63 4.50 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 49 V 8.54 3.93 2.22 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 1.20 0.00 0.00 1.19 0.00 0.00 50 S 8.99 4.14 0.00 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 3.93 0.00 1.89 2.00 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 52 G 8.27 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.45 4.69 0.00 2.91 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 54 L 8.15 3.95 0.00 1.82 1.73 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.13 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 56 L 7.93 4.05 0.00 1.84 1.61 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.50 3.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.28 0.00 0.00 58 I 7.36 4.25 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.97 1.03 0.00 0.00 59 A 7.39 4.66 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 60 C 7.97 4.32 0.00 2.83 2.89 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 61 L 7.22 4.88 0.00 1.68 1.60 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.15 0.00 2.09 2.05 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 63 Y 8.01 4.29 0.00 2.98 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 64 A 7.98 4.30 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00