NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1456 8.0249 121.4436 61.1073 38.5499 174.6971 4 K 4.5120 8.1902 123.0116 54.1934 36.1431 170.4461 5 V 4.5558 8.8283 121.4944 61.9872 35.4161 173.1074 6 R 4.3073 8.7514 124.9335 58.1752 35.6205 176.6897 7 E 3.6057 7.7817 117.9880 56.6558 28.0792 176.3156 8 N 4.4823 8.3144 134.8273 52.4006 38.5406 172.5437 9 E 3.3412 8.7765 125.8670 54.3909 27.4192 172.1037 10 P 3.8587 0.0000 0.0000 63.1802 31.2490 175.8380 11 F 4.6116 7.7489 116.7914 58.1085 40.2026 173.4562 12 D 4.6576 8.8022 118.3523 52.7894 40.3849 177.2102 13 V 3.1695 7.2448 114.7159 63.6535 32.1898 176.1876 14 A 3.9577 7.8766 127.8882 48.3754 25.0179 177.4887 15 L 3.6349 8.3417 120.7955 54.6086 42.4992 176.1360 16 R 4.2583 7.9321 113.5504 57.6194 29.1018 176.9459 17 R 4.5568 8.0535 117.0353 55.5729 31.7723 176.6613 18 F 4.2789 8.6390 118.2591 61.1503 38.5647 176.4082 19 K 4.0563 9.5295 124.4015 59.0057 32.4794 177.8156 20 R 3.9214 8.1080 119.5292 59.3228 30.0554 178.9021 21 S 4.9364 7.6189 111.7262 58.0673 63.6408 175.0990 22 C 4.7415 7.4080 115.1496 61.2737 32.9514 173.1769 23 E 4.4804 9.2023 129.7773 55.8427 35.1011 179.3153 24 K 3.8937 8.9794 121.8382 56.8828 32.0810 176.0911 25 A 4.1060 8.4874 123.4313 53.9647 18.0741 179.8031 26 G 3.6491 8.1564 106.4221 48.2661 0.0000 177.2434 27 V 3.6613 7.5677 121.3081 63.6517 31.5227 178.2656 28 L 4.0957 7.8192 119.3789 57.8006 41.6132 178.8002 29 A 4.0663 7.6175 119.1008 55.1567 18.2838 178.8681 30 E 4.0885 8.3268 117.3299 60.0900 30.0960 177.0652 31 V 4.2687 8.3340 119.9897 64.3248 32.9616 174.4206 32 R 4.4553 9.0660 118.6943 56.2564 29.2960 177.0970 33 R 4.5956 7.4269 113.7425 54.3637 32.0548 175.5686 34 R 3.7172 7.9569 115.6000 54.4608 30.7833 175.8824 35 E 3.5093 8.2904 119.9444 56.4993 30.2722 176.6623 36 F 4.6609 7.7607 117.3245 57.6439 39.3132 175.8989 37 Y 3.9232 6.7690 116.1295 57.2779 37.1219 170.5395 38 E 4.5557 8.0855 118.8005 57.9193 31.7562 178.3489 39 K 4.0332 8.3630 119.7406 58.5549 31.9097 177.4292 40 P 4.1791 0.0000 0.0000 66.3122 31.4769 178.4589 41 T 3.9285 7.3065 113.7116 66.1814 68.6554 175.5214 42 T 4.2120 7.7465 111.2941 63.8866 69.4857 176.4207 43 E 3.8274 8.1111 122.0908 58.4605 29.7252 179.1299 44 R 4.1262 8.1398 117.2578 58.3711 30.1033 177.3727 45 K 4.4806 7.5375 114.9333 56.2553 33.3310 176.8158 46 R 4.3538 8.3679 119.8714 57.3628 30.9232 177.6816 47 A 4.1163 7.9000 120.1575 54.3250 18.3533 179.3809 48 K 3.9571 8.0598 117.2556 59.9342 32.4612 178.8365 49 A 3.9489 7.5714 120.8826 54.9212 18.4155 178.9532 50 S 4.5113 8.0020 112.1366 59.6076 63.2501 175.7365 51 A 4.5941 7.7961 123.1859 52.0219 18.6009 178.2877 52 V 4.3606 7.8235 119.9995 63.8278 35.9497 175.2066 53 K 3.9910 7.8640 123.0399 57.0494 32.9143 174.2366 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 3 I 8.02 4.15 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 1.38 1.04 0.90 0.00 0.00 4 K 8.19 4.51 0.00 1.71 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.45 7.81 5 V 8.83 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 0.86 0.00 0.00 0.99 0.00 0.00 6 R 8.75 4.31 0.00 1.80 1.88 0.00 3.26 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 1.54 1.62 0.00 7 E 7.78 3.61 0.00 2.11 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 8 N 8.31 4.48 0.00 2.67 2.53 0.00 0.00 7.28 7.65 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 9 E 8.78 3.34 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 10 P 0.00 3.86 0.00 2.08 1.98 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 11 F 7.75 4.61 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.66 0.00 2.70 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 13 V 7.24 3.17 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 0.38 0.00 0.00 0.81 0.00 0.00 14 A 7.88 3.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.34 3.63 0.00 1.83 1.75 0.69 0.99 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 16 R 7.93 4.26 0.00 1.87 1.96 0.00 3.36 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 17 R 8.05 4.56 0.00 1.68 1.85 0.00 3.26 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 18 F 8.64 4.28 0.00 3.27 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.53 4.06 0.00 1.89 1.86 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.59 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.48 7.81 20 R 8.11 3.92 0.00 2.05 2.11 0.00 3.18 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 1.73 1.85 0.00 21 S 7.62 4.94 0.00 4.12 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 22 C 7.41 4.74 0.00 3.16 2.91 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 23 E 9.20 4.48 0.00 1.91 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 2.09 2.14 0.00 24 K 8.98 3.89 0.00 1.96 1.81 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.37 7.81 25 A 8.49 4.11 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 26 G 8.16 3.65 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 0.00 27 V 7.57 3.66 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 0.82 0.00 0.00 0.93 0.00 0.00 28 L 7.82 4.10 0.00 1.72 1.74 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.62 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.09 0.00 2.12 2.18 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 2.36 2.38 0.00 31 V 8.33 4.27 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 0.72 0.00 0.00 0.90 0.00 0.00 32 R 9.07 4.46 0.00 1.97 2.15 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 33 R 7.43 4.60 0.00 1.87 1.88 0.00 3.33 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 34 R 7.96 3.72 0.00 2.09 2.00 0.00 3.31 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 35 E 8.29 3.51 0.00 1.18 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 2.01 2.02 0.00 36 F 7.76 4.66 0.00 3.02 2.96 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 37 Y 6.77 3.92 0.00 3.18 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 38 E 8.09 4.56 0.00 2.28 2.27 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 2.33 2.53 0.00 39 K 8.36 4.03 0.00 2.04 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.54 7.81 40 P 0.00 4.18 0.00 2.35 2.52 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 41 T 7.31 3.93 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 1.23 0.00 0.00 42 T 7.75 4.21 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 1.29 0.00 0.00 43 E 8.11 3.83 0.00 2.04 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 2.18 2.28 0.00 44 R 8.14 4.13 0.00 1.90 1.99 0.00 3.32 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 45 K 7.54 4.48 0.00 2.07 1.79 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 46 R 8.37 4.35 0.00 1.89 2.06 0.00 3.07 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 47 A 7.90 4.12 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 48 K 8.06 3.96 0.00 2.03 2.08 0.00 1.41 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.66 7.81 49 A 7.57 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.51 0.00 4.04 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 51 A 7.80 4.59 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 52 V 7.82 4.36 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 0.93 0.00 0.00 53 K 7.86 3.99 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.23 7.81