NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4419 0.0000 0.0000 62.4168 33.6619 175.3103 2 I 4.7390 8.2144 122.5697 59.2472 40.1419 172.8350 3 A 4.5378 9.1128 130.8292 50.4335 21.1420 174.9637 4 Q 4.8701 8.6753 124.4237 54.6096 30.7321 174.5677 5 I 4.3689 8.9008 128.4390 60.0116 39.2723 174.4686 6 H 5.2124 8.7473 125.1937 54.7503 29.6104 174.8174 7 I 4.6451 8.3974 116.2213 58.6228 41.3518 175.0047 8 R 4.5478 8.4596 122.8133 56.1199 30.6514 176.6015 9 E 4.4130 8.5801 121.8898 55.9507 31.1797 176.0211 10 G 3.9639 8.3394 109.4327 45.7936 0.0000 173.9003 11 R 4.7367 7.6943 117.7398 52.9907 34.0453 176.3387 12 S 4.3331 8.2911 114.8080 58.4153 65.0893 175.0318 13 D 4.3688 8.6458 123.2838 57.5986 40.6114 178.7702 14 E 3.9434 8.2058 118.5331 59.8132 29.4781 179.2444 15 Q 3.9846 7.9701 118.8309 59.1137 29.0418 178.3616 16 K 3.9818 8.0284 119.3550 59.1833 32.0743 179.0022 17 E 3.9167 8.3241 119.8008 59.5899 29.4835 179.0732 18 T 3.9168 7.9336 115.8691 66.1788 68.3860 176.3510 19 L 3.9070 8.1013 122.5248 58.3240 42.0680 178.7991 20 I 3.6557 7.8310 119.6117 64.5711 37.1295 178.1876 21 R 3.8566 7.9606 118.8865 59.6195 29.9792 178.3156 22 E 3.9547 8.4416 118.5973 59.4181 29.3872 179.6597 23 V 3.5747 8.1332 118.5327 66.0984 31.5448 178.0596 24 S 4.1050 8.1884 115.0261 61.8179 62.6547 176.5057 25 E 3.9029 8.4101 121.5979 59.0206 29.2968 178.6261 26 A 4.0044 8.1419 120.9592 55.1155 18.3925 179.6978 27 I 3.6141 8.0561 118.5671 64.7784 37.1690 178.8021 28 S 4.1029 8.3440 114.0227 61.0024 61.9856 176.1063 29 R 3.9010 8.4261 122.5134 59.5048 29.7692 178.6992 30 S 4.1924 8.2190 112.2654 60.3849 63.3206 174.8264 31 L 4.3047 7.9895 119.2534 53.8629 42.1252 175.5191 32 D 4.2923 7.6578 117.1450 55.2808 39.9219 172.8556 33 A 4.7838 7.3906 119.3797 49.2957 21.5614 175.9412 34 P 4.4386 0.0000 0.0000 62.3232 32.2841 177.7839 35 L 3.9776 8.5191 123.0186 58.4742 42.3372 179.1674 36 T 3.8622 8.0245 114.2323 66.4572 68.3605 174.8372 37 S 4.3539 7.6840 113.3524 58.9432 63.7054 174.0609 38 V 4.1713 7.1693 122.7501 62.4168 31.9898 175.3049 39 R 4.7069 8.9876 126.9127 54.2699 33.4278 174.6609 40 V 4.7613 8.4663 122.9918 61.1443 34.0853 174.3322 41 I 4.4934 8.9980 128.9674 59.6177 39.5912 174.4645 42 I 4.7399 8.3311 127.3782 59.8556 39.2685 175.0817 43 T 4.4999 8.7758 123.9997 61.6629 71.4837 173.2787 44 E 4.7157 8.7606 126.5163 56.1830 31.5106 175.6954 45 M 4.5902 9.1944 123.7170 53.2190 34.1804 175.8938 46 A 5.0134 8.5521 126.3710 51.2957 19.3788 177.9751 47 K 3.8456 8.9541 120.0057 59.3576 32.1925 178.3409 48 G 4.0689 7.9069 104.6545 45.6793 0.0000 173.3468 49 H 4.9882 8.4728 114.3801 54.9359 29.7330 173.6572 50 F 5.0070 8.1259 122.5633 56.5965 41.7358 173.2321 51 G 4.0753 8.5018 116.5371 43.4703 0.0000 172.0241 52 I 4.0757 7.9630 123.7582 60.0495 38.9029 175.9702 53 G 3.5797 9.2343 114.4615 46.5400 0.0000 174.0381 54 G 3.9315 8.5494 107.0464 44.9028 0.0000 173.7674 55 E 4.7510 7.3622 117.1170 53.4523 33.1516 175.3717 56 L 4.2478 8.1621 120.4233 54.4190 43.1696 178.2170 57 A 3.9144 8.6892 126.3234 55.4521 18.2429 180.2877 58 S 4.1712 8.0375 110.9571 62.5366 62.9516 176.2437 59 K 3.9726 8.0716 120.9342 58.7127 31.8097 178.8279 60 V 3.5729 8.9115 122.6789 64.2328 31.7896 176.6291 61 R 4.1124 8.9089 122.4812 56.6507 30.7806 175.6642 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 4.44 0.00 2.08 2.03 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.21 4.74 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 1.27 0.71 0.90 0.00 0.00 3 A 9.11 4.54 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 4 Q 8.68 4.87 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.69 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 5 I 8.90 4.37 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 1.20 0.59 0.87 0.00 0.00 6 H 8.75 5.21 0.00 2.90 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.65 1.82 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 1.18 0.91 0.86 0.00 0.00 8 R 8.46 4.55 0.00 1.73 1.94 0.00 3.47 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 9 E 8.58 4.41 0.00 2.02 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 0.00 2.41 2.11 0.00 10 G 8.34 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 11 R 7.69 4.74 0.00 1.75 1.79 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 12 S 8.29 4.33 0.00 4.29 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 13 D 8.65 4.37 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.94 0.00 2.04 2.01 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 2.40 2.44 0.00 15 Q 7.97 3.98 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 16 K 8.03 3.98 0.00 2.11 1.83 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 17 E 8.32 3.92 0.00 2.26 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 0.00 2.30 2.34 0.00 18 T 7.93 3.92 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 1.21 0.00 0.00 19 L 8.10 3.91 0.00 1.83 1.88 0.91 0.99 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 20 I 7.83 3.66 2.02 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 1.39 0.53 0.90 0.00 0.00 21 R 7.96 3.86 0.00 1.88 1.92 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 E 8.44 3.95 0.00 1.99 1.98 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 2.49 2.46 0.00 23 V 8.13 3.57 2.17 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 1.11 0.00 0.00 0.94 0.00 0.00 24 S 8.19 4.10 0.00 4.14 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 25 E 8.41 3.90 0.00 2.20 1.93 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 2.30 2.36 0.00 26 A 8.14 4.00 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 27 I 8.06 3.61 1.99 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 1.40 0.68 0.91 0.00 0.00 28 S 8.34 4.10 0.00 3.87 4.06 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 0.00 0.00 0.00 0.00 29 R 8.43 3.90 0.00 1.98 2.08 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 30 S 8.22 4.19 0.00 4.01 3.98 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 31 L 7.99 4.30 0.00 1.65 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.66 4.29 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.39 4.78 1.21 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 0.00 0.00 0.00 34 P 0.00 4.44 0.00 2.19 1.98 0.00 3.60 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 2.11 2.07 0.00 35 L 8.52 3.98 0.00 1.67 1.65 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.02 3.86 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 1.21 0.00 0.00 37 S 7.68 4.35 0.00 3.95 3.97 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 38 V 7.17 4.17 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 0.76 0.00 0.00 0.95 0.00 0.00 39 R 8.99 4.71 0.00 1.75 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.47 4.76 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.00 4.49 1.83 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 1.21 0.64 0.88 0.00 0.00 42 I 8.33 4.74 1.84 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 1.31 0.53 0.88 0.00 0.00 43 T 8.78 4.50 3.94 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 1.21 0.00 0.00 44 E 8.76 4.72 0.00 1.92 1.85 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 2.37 2.32 0.00 45 M 9.19 4.59 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 46 A 8.55 5.01 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 47 K 8.95 3.85 0.00 1.75 1.92 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 48 G 7.91 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 49 H 8.47 4.99 0.00 3.30 3.31 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 50 F 8.13 5.01 0.00 2.95 2.90 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 G 8.50 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 0.00 0.00 0.00 52 I 7.96 4.08 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 0.83 0.00 0.00 53 G 9.23 3.58 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 0.00 54 G 8.55 3.93 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 0.00 0.00 0.00 55 E 7.36 4.75 0.00 1.99 1.76 0.00 0.00 0.00 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 2.20 0.00 56 L 8.16 4.25 0.00 1.66 1.57 0.92 0.88 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 57 A 8.69 3.91 1.21 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 0.00 0.00 0.00 58 S 8.04 4.17 0.00 4.04 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 59 K 8.07 3.97 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 60 V 8.91 3.57 2.00 0.00 0.00 0.00 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 0.99 0.00 0.00 61 R 8.91 4.11 0.00 1.77 1.86 0.00 3.43 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00