NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9637 8.3549 109.7353 45.0231 0.0000 173.6298 3 R 3.8451 8.6493 117.6534 58.2574 30.0729 176.6231 4 K 4.7089 7.6717 116.4158 52.1366 36.7327 178.0185 5 K 4.2572 8.5280 121.4899 56.2931 32.8674 176.2904 6 I 4.5816 8.0183 117.8253 59.0945 40.2700 174.8541 7 Q 4.4581 8.2750 119.9458 55.0109 30.0255 176.6809 8 I 4.1789 7.9007 122.1434 60.2299 35.9012 174.9595 9 T 4.5443 7.7037 116.9775 59.9534 70.3393 173.1779 10 R 3.8551 8.5856 125.2053 56.9472 30.2931 176.0128 11 I 4.0414 8.2546 126.1446 61.3535 37.6383 176.0428 12 M 4.1618 8.6080 125.2561 57.2318 32.5465 176.5128 13 D 4.6087 7.9197 118.9334 53.0597 42.5704 176.0966 14 E 3.8935 8.8234 127.6811 59.3704 29.7227 178.6735 15 R 3.8546 7.9152 118.1132 59.6280 30.1975 177.9410 16 N 4.3528 9.0791 117.1544 56.5073 38.8192 176.8106 17 R 3.8951 8.2634 120.5470 59.3827 30.1955 178.3748 18 Q 3.9971 8.3592 119.5679 59.1038 29.0841 178.2204 19 V 3.6211 7.9330 119.3019 66.3799 31.5608 178.1441 20 T 3.8708 8.2274 115.7436 66.4160 68.1764 176.3389 21 F 3.9882 8.5284 122.7812 61.6569 39.5939 177.2822 22 T 3.6165 8.0265 115.1616 66.5133 68.2463 176.9019 23 K 3.9237 7.9463 120.2656 59.6226 32.0806 179.8456 24 R 3.9262 8.2964 118.6082 58.7449 29.8289 179.0624 25 K 3.6197 7.9339 120.2663 59.0407 31.9434 178.6699 26 F 3.9156 7.9855 120.7102 61.2277 39.3754 177.3781 27 G 3.6205 8.3493 105.4071 47.6822 0.0000 175.4503 28 L 3.9142 8.1278 122.9242 58.1968 42.0389 178.9861 29 M 3.7102 7.9810 118.8183 57.7919 31.6774 178.6544 30 K 3.6855 7.8117 120.1018 59.4751 32.3936 179.1202 31 K 3.8866 7.9952 118.4425 59.1835 31.8555 179.3204 32 A 3.8873 7.8700 121.2853 55.0047 18.2392 178.9354 33 Y 4.3502 7.6448 119.6927 60.4666 38.8066 178.3316 34 E 3.5454 8.2734 119.5846 59.1096 29.5185 179.1557 35 L 3.9029 7.9709 120.7019 58.0062 42.0650 179.1084 36 S 4.2225 8.1041 114.3553 61.3597 62.3524 176.8001 37 V 3.4364 7.4185 121.6519 65.6009 31.1687 177.9583 38 L 3.9591 7.8605 117.5474 57.4949 41.5373 178.0275 39 C 4.5229 7.9359 112.5615 58.4325 29.0817 173.4135 40 D 4.3603 7.5317 117.3264 55.8087 39.3294 171.6879 41 C 4.9968 7.8153 112.5773 56.4273 33.9140 174.4969 42 E 4.6147 8.5593 120.2958 54.9270 31.1560 174.5761 43 I 5.0295 8.9917 127.0484 59.4628 41.5807 174.1083 44 A 5.1777 8.6672 126.8188 49.9916 21.9702 175.0962 45 L 4.7283 9.2689 123.4619 53.3567 45.3841 175.1319 46 I 4.8931 8.5263 126.4270 59.5288 40.2290 174.9586 47 I 4.6939 8.9585 127.3533 59.5051 40.8111 174.2216 48 F 5.3679 8.9875 125.5954 55.6362 41.1608 175.6735 49 N 4.6086 9.3693 122.5354 51.5821 38.5082 176.0188 50 S 4.1972 8.2399 111.9484 60.8796 63.0634 175.0298 51 S 4.4211 8.0505 115.3563 58.0249 62.7773 173.5311 52 N 4.4492 8.3909 118.1091 54.1813 37.7179 173.5898 53 K 4.3461 9.5483 118.8009 55.2659 33.7344 175.1975 54 L 4.5759 8.1107 128.0966 54.0045 43.4196 175.5808 55 F 5.0148 9.0967 124.0897 55.9536 43.3205 173.6978 56 Q 5.1060 8.5978 118.5089 55.4395 31.8848 172.9961 57 Y 4.8858 9.0821 120.5277 56.1951 42.6092 173.6092 58 A 4.6867 7.3426 126.2590 50.2621 21.9264 176.3123 59 S 4.3047 8.5020 115.8429 60.4344 63.9796 173.7693 60 T 4.4510 7.2942 110.8978 61.0038 71.2135 173.0273 61 D 4.4151 8.5354 119.5899 53.6880 40.4731 172.5860 62 M 4.0691 8.9374 125.6785 58.7040 32.0968 178.8256 63 D 4.4488 8.2131 123.1355 59.0549 39.9740 181.6981 64 K 4.2210 7.8066 125.4610 59.5267 31.6645 181.2657 65 V 4.3198 7.5565 120.4261 65.5288 31.6448 178.0959 66 L 4.1524 8.3428 121.3604 58.2236 41.2836 180.2305 67 L 4.1842 7.9930 123.8935 58.8035 40.6760 182.4676 68 K 4.1923 7.8983 118.6386 59.4569 32.2592 178.5368 69 Y 4.2071 8.2161 119.9325 60.9882 38.4385 178.1432 70 T 3.8225 8.2017 110.6725 64.8590 68.6273 175.3691 71 E 4.2600 8.3164 118.5447 56.7752 29.7637 176.6842 72 Y 4.2882 7.6443 125.3238 58.0140 38.9859 175.2948 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 2 G 8.35 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 3 R 8.65 3.85 0.00 1.89 2.01 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 4 K 7.67 4.71 0.00 1.70 1.50 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.97 7.81 5 K 8.53 4.26 0.00 1.71 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.42 7.81 6 I 8.02 4.58 1.87 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 1.41 0.84 0.91 0.00 0.00 7 Q 8.27 4.46 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.28 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 8 I 7.90 4.18 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 1.30 0.78 0.92 0.00 0.00 9 T 7.70 4.54 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 R 8.59 3.86 0.00 1.82 1.86 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 11 I 8.25 4.04 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.99 0.00 0.00 12 M 8.61 4.16 0.00 2.01 2.12 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 2.47 0.00 13 D 7.92 4.61 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 3.89 0.00 2.07 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 2.38 2.37 0.00 15 R 7.92 3.85 0.00 1.92 2.09 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 16 N 9.08 4.35 0.00 2.78 2.80 0.00 0.00 6.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.26 3.90 0.00 2.08 2.06 0.00 3.15 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 18 Q 8.36 4.00 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 19 V 7.93 3.62 2.09 0.00 0.00 0.00 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 20 T 8.23 3.87 4.47 0.00 0.00 0.00 0.00 0.00 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 21 F 8.53 3.99 0.00 3.24 3.26 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 22 T 8.03 3.62 4.36 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 1.19 0.00 0.00 23 K 7.95 3.92 0.00 1.77 1.79 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.66 7.81 24 R 8.30 3.93 0.00 1.87 1.89 0.00 3.11 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 25 K 7.93 3.62 0.00 0.79 1.14 0.00 1.31 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.11 7.81 26 F 7.99 3.92 0.00 3.23 3.14 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 0.00 27 G 8.35 3.62 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 0.00 0.00 0.00 28 L 8.13 3.91 0.00 1.73 1.73 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.98 3.71 0.00 1.74 1.83 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 2.58 2.42 0.00 30 K 7.81 3.69 0.00 1.47 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.44 7.81 31 K 8.00 3.89 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 32 A 7.87 3.89 1.12 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 33 Y 7.64 4.35 0.00 2.78 3.03 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 34 E 8.27 3.55 0.00 1.96 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 0.00 2.33 2.59 0.00 35 L 7.97 3.90 0.00 1.79 1.75 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.10 4.22 0.00 4.28 4.32 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 37 V 7.42 3.44 1.69 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 0.92 0.00 0.00 0.52 0.00 0.00 38 L 7.86 3.96 0.00 1.61 1.68 0.89 0.73 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 39 C 7.94 4.52 0.00 3.05 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 40 D 7.53 4.36 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 5.00 0.00 2.94 2.85 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 0.00 0.00 0.00 0.00 42 E 8.56 4.61 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 43 I 8.99 5.03 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 1.04 0.00 0.00 44 A 8.67 5.18 1.12 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 45 L 9.27 4.73 0.00 1.81 1.81 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.53 4.89 1.87 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 1.28 0.76 0.76 0.00 0.00 47 I 8.96 4.69 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 1.29 0.82 1.18 0.00 0.00 48 F 8.99 5.37 0.00 2.94 2.98 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 49 N 9.37 4.61 0.00 2.18 2.38 0.00 0.00 6.32 7.20 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 50 S 8.24 4.20 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.42 0.00 3.97 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 52 N 8.39 4.45 0.00 2.82 2.95 0.00 0.00 7.03 6.23 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 53 K 9.55 4.35 0.00 1.73 1.78 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.40 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.83 1.19 7.81 54 L 8.11 4.58 0.00 1.45 1.35 0.10 0.56 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 55 F 9.10 5.01 0.00 3.06 2.92 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 56 Q 8.60 5.11 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 57 Y 9.08 4.89 0.00 3.05 2.78 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 58 A 7.34 4.69 1.04 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 0.00 0.00 59 S 8.50 4.30 0.00 3.94 4.10 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 0.00 0.00 0.00 0.00 60 T 7.29 4.45 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 1.19 0.00 0.00 61 D 8.54 4.42 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.94 4.07 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 63 D 8.21 4.45 0.00 2.72 2.67 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 64 K 7.81 4.22 0.00 1.70 1.85 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 65 V 7.56 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 1.38 0.00 0.00 0.92 0.00 0.00 66 L 8.34 4.15 0.00 1.75 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.99 4.18 0.00 1.67 1.67 0.92 0.91 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 68 K 7.90 4.19 0.00 2.10 2.00 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 69 Y 8.22 4.21 0.00 3.05 3.20 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 70 T 8.20 3.82 4.28 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 1.37 0.00 0.00 71 E 8.32 4.26 0.00 1.98 2.04 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 2.68 2.47 0.00 72 Y 7.64 4.29 0.00 3.09 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00