NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4024 0.0000 0.0000 61.8203 32.6561 176.0089 2 K 3.7577 8.7191 119.6972 56.5933 32.4873 175.3358 3 I 3.9379 9.2134 125.5344 61.3152 38.6312 175.5630 4 K 4.4181 8.4478 124.3427 55.6497 33.2110 176.4042 5 T 4.3103 8.2040 117.1034 61.1000 68.4158 175.5903 6 V 3.8915 8.0592 127.3128 62.4731 29.8182 176.3129 7 R 3.9516 8.6114 125.9803 58.9876 30.6649 179.3695 8 G 3.7033 8.1973 103.9314 47.4271 0.0000 175.4791 9 A 4.2932 8.3503 122.3223 53.9786 18.1541 178.6616 10 A 4.4715 7.4931 116.6254 52.7813 19.3510 177.8847 11 K 4.4647 7.5648 115.7294 56.2317 32.2114 177.4222 12 R 4.3581 7.7553 116.9082 55.3246 32.3278 174.9241 13 F 5.3288 7.6675 113.6082 54.5154 43.2307 175.1022 14 K 4.5738 9.1762 121.5551 55.0553 35.0007 174.9850 15 K 3.2392 9.0521 128.7979 57.4873 32.6803 176.1828 16 T 4.5222 7.9581 117.6260 60.0196 71.3368 175.1478 17 G 3.5609 8.6334 108.9807 48.3882 0.0000 174.5354 18 K 4.2845 8.0608 116.2804 56.0513 32.4670 176.6654 19 G 3.8865 7.9237 107.0803 45.2576 0.0000 174.9954 20 G 4.0721 7.5052 110.9492 44.7501 0.0000 174.1743 21 F 4.5618 8.6007 113.5663 56.9772 42.0428 171.1538 22 K 4.8650 9.0329 126.6046 56.2107 33.9916 174.1960 23 H 4.7086 7.9687 115.6799 54.3894 31.2681 172.2671 24 K 4.4282 8.1235 120.8559 55.5582 33.0315 176.0726 25 H 4.5036 8.4165 120.8307 55.6069 29.4370 175.1214 26 A 4.3759 8.2238 124.7346 52.7677 19.6375 177.4032 27 N 4.6460 9.2240 116.7642 52.9852 36.4941 174.6896 28 L 4.8362 7.5192 118.4396 54.7745 42.2686 176.1328 29 R 4.5511 8.4443 114.6395 55.0531 31.9964 173.5620 30 H 4.3347 8.7715 118.2507 57.7567 31.8612 175.4956 31 I 3.1656 6.5303 117.0502 62.2928 35.0892 172.8466 32 L 4.5511 7.6453 128.0556 55.5192 44.0801 178.6211 33 T 3.9145 8.1225 112.1996 64.9399 67.0602 174.3906 34 K 4.2333 7.8938 117.1536 57.3505 33.3433 176.7267 35 K 4.3818 8.0146 119.7021 55.0751 33.6339 176.9318 36 A 4.1777 8.1967 123.1251 52.1906 20.2226 179.0376 37 T 3.8002 8.4844 120.0613 66.5909 68.5381 176.6897 38 K 3.7377 8.0187 120.9037 59.5789 31.9888 178.1453 39 R 3.8525 7.9637 117.2104 59.8626 30.1225 178.1263 40 K 4.1337 8.1103 117.8076 59.2354 31.5450 179.3442 41 R 3.8827 8.1065 119.8015 59.5413 30.1485 177.9249 42 H 4.2735 7.8036 113.1450 57.6100 29.0777 176.5727 43 L 4.1760 7.8436 119.2524 57.2987 41.9048 178.5000 44 R 4.0661 7.5683 117.4358 58.6096 30.0415 175.5175 45 P 4.4087 0.0000 0.0000 62.5614 31.7572 175.5878 46 K 4.4818 8.1693 118.3397 56.4848 33.8619 175.7448 47 A 4.4843 8.0236 119.0859 51.7693 22.8355 175.8885 48 M 4.8720 8.6279 119.6746 54.5389 33.2043 177.0048 49 V 4.0046 8.4932 121.9422 61.2914 32.7640 176.6922 50 S 4.5678 8.3042 117.1442 57.4369 64.0976 175.5191 51 K 4.0710 8.5025 120.9224 59.6163 31.5015 179.7752 52 G 3.9125 8.0989 105.4633 47.9508 0.0000 175.0981 53 D 4.3573 7.6412 119.0673 56.4498 40.9173 178.3118 54 L 3.9576 7.7753 121.3976 58.0661 41.9783 179.2000 55 G 3.5213 7.5498 105.5416 47.6991 0.0000 175.3406 56 L 3.8934 7.7165 120.6718 57.4183 41.9969 179.4649 57 V 3.2434 7.5513 117.7624 65.9298 31.2125 178.1722 58 I 3.6556 7.5442 119.3188 64.0963 36.7919 177.9848 59 A 4.1376 7.6925 119.4182 54.0173 18.5402 178.1818 60 C 4.5845 7.6282 113.8256 59.1261 30.2797 173.3394 61 L 4.9277 7.5678 120.7525 52.4477 41.9708 175.3074 62 P 4.3010 0.0000 0.0000 64.7500 31.8690 177.5973 63 Y 4.5788 7.8094 114.6911 57.5519 38.6737 175.3314 64 A 4.3107 8.0498 129.1098 52.5715 18.4262 177.9008 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 4.40 0.00 2.19 2.14 0.00 3.52 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 2.12 0.00 2 K 8.72 3.76 0.00 1.87 1.91 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 I 9.21 3.94 1.97 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 1.43 0.50 0.96 0.00 0.00 4 K 8.45 4.42 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 5 T 8.20 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 1.26 0.00 0.00 6 V 8.06 3.89 2.10 0.00 0.00 0.00 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 0.98 0.00 0.00 7 R 8.61 3.95 0.00 1.88 2.02 0.00 3.35 0.00 0.00 3.52 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 8 G 8.20 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.29 1.46 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 0.00 0.00 0.00 10 A 7.49 4.47 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 7.56 4.46 0.00 1.75 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.63 7.81 12 R 7.76 4.36 0.00 1.39 1.08 0.00 3.00 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 13 F 7.67 5.33 0.00 2.90 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 14 K 9.18 4.57 0.00 1.86 1.72 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.58 7.81 15 K 9.05 3.24 0.00 1.68 1.66 0.00 1.06 0.00 0.00 1.39 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.23 7.81 16 T 7.96 4.52 4.19 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 1.19 0.00 0.00 17 G 8.63 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 18 K 8.06 4.28 0.00 1.70 1.79 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.38 7.81 19 G 7.92 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 20 G 7.51 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.60 4.56 0.00 3.15 3.16 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 22 K 9.03 4.86 0.00 2.13 2.09 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.42 7.81 23 H 7.97 4.71 0.00 3.22 3.58 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.12 4.43 0.00 1.69 1.69 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 25 H 8.42 4.50 0.00 3.36 3.21 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 8.22 4.38 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 27 N 9.22 4.65 0.00 2.79 3.32 0.00 0.00 6.66 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 7.52 4.84 0.00 1.55 1.58 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.44 4.55 0.00 1.76 1.86 0.00 3.42 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 30 H 8.77 4.33 0.00 3.20 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 6.53 3.17 1.77 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 1.39 0.72 0.88 0.00 0.00 32 L 7.65 4.55 0.00 1.70 1.64 0.92 0.61 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 33 T 8.12 3.91 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 1.19 0.00 0.00 34 K 7.89 4.23 0.00 1.89 1.90 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.45 7.81 35 K 8.01 4.38 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.54 7.81 36 A 8.20 4.18 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 37 T 8.48 3.80 4.22 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 1.20 0.00 0.00 38 K 8.02 3.74 0.00 1.77 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 39 R 7.96 3.85 0.00 1.82 2.12 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 40 K 8.11 4.13 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.55 7.81 41 R 8.11 3.88 0.00 1.94 2.03 0.00 3.09 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 42 H 7.80 4.27 0.00 3.13 3.30 0.00 5.72 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 43 L 7.84 4.18 0.00 1.83 1.75 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.57 4.07 0.00 1.88 2.03 0.00 3.18 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 1.68 1.60 0.00 45 P 0.00 4.41 0.00 2.19 2.09 0.00 3.78 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 2.13 2.03 0.00 46 K 8.17 4.48 0.00 1.64 1.87 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81 47 A 8.02 4.48 1.03 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 0.00 0.00 0.00 0.00 0.00 48 M 8.63 4.87 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 49 V 8.49 4.00 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 0.94 0.00 0.00 0.88 0.00 0.00 50 S 8.30 4.57 0.00 4.09 4.08 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 0.00 0.00 0.00 0.00 51 K 8.50 4.07 0.00 1.87 1.90 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 52 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.36 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.96 0.00 1.71 1.69 1.09 1.14 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 55 G 7.55 3.52 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 56 L 7.72 3.89 0.00 1.59 1.66 0.88 0.83 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 57 V 7.55 3.24 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 -0.56 0.00 0.00 -0.08 0.00 0.00 58 I 7.54 3.66 1.83 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 1.62 0.72 0.93 0.00 0.00 59 A 7.69 4.14 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 60 C 7.63 4.58 0.00 2.99 2.93 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 61 L 7.57 4.93 0.00 1.68 1.62 0.74 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.30 0.00 1.70 2.05 0.00 3.80 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 2.13 2.02 0.00 63 Y 7.81 4.58 0.00 2.99 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 64 A 8.05 4.31 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00