NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2784 0.0000 0.0000 63.7706 32.6674 176.4514 17 S 4.1343 8.8412 115.4866 58.7004 62.4747 169.7511 18 R 4.3109 8.5146 121.3462 55.6961 27.5220 174.3066 19 K 4.3231 7.0781 116.0085 56.0499 35.3733 176.9107 20 A 4.3105 8.0312 122.2316 52.1464 23.3388 174.5322 21 K 3.9091 8.0650 120.6477 55.8445 28.5124 176.4218 22 V 3.5529 8.8415 122.2094 64.2116 32.0863 176.3792 23 K 4.5195 8.6275 119.1690 58.8122 33.3475 176.9954 24 A 4.1696 8.3215 120.3886 55.7335 18.7149 178.6694 25 T 4.2604 7.6816 104.5594 59.2794 67.0729 173.3037 26 L 4.3114 6.9901 122.6308 55.5070 45.3714 173.9389 27 G 4.1944 8.4023 112.4063 44.3255 0.0000 172.7616 28 E 4.2035 8.6740 119.5945 56.3157 30.0690 176.3226 29 F 4.8577 7.7077 116.6410 55.2856 40.8469 173.5518 30 D 4.4060 8.7936 122.5923 54.0708 40.6230 176.8596 31 L 4.4277 8.4165 127.3361 56.8692 41.7541 178.1898 32 R 4.3387 8.0196 116.6040 55.9884 30.5415 175.9191 33 D 4.3688 8.0731 118.9055 54.4755 40.4850 174.5937 34 Y 4.7504 8.0956 124.4334 56.8607 38.1976 176.2900 35 R 4.4741 7.7100 117.3048 56.0563 32.9493 176.2490 36 N 5.3610 8.4480 120.3504 51.9906 35.3124 175.1218 37 V 3.5852 7.6156 124.7538 66.4050 32.1323 176.3878 38 E 4.0826 8.2512 115.9841 58.0657 29.2139 178.1705 39 V 3.7991 7.8985 118.7741 63.2047 33.4332 177.5275 40 L 3.9899 8.0815 120.4120 57.7508 41.9049 179.6161 41 K 3.7932 8.1151 117.5601 59.6521 32.2081 179.0034 42 R 3.7468 7.4922 117.8991 59.2016 30.1512 177.3819 43 F 4.7105 8.7010 116.3795 58.7367 39.3285 175.2292 44 L 4.8446 7.5728 121.3753 53.4992 42.5093 177.9171 45 S 4.4825 9.0323 117.8691 58.0188 64.0131 173.7405 46 E 4.0327 8.7956 118.4678 59.1349 29.4504 176.5568 47 T 4.8699 6.9090 114.3681 60.2626 71.5813 175.2354 48 G 3.9101 8.6428 106.5312 46.3039 0.0000 173.3677 49 K 4.4269 8.3367 120.5765 55.0869 33.6300 176.5476 50 I 4.2926 8.2959 125.7120 61.2052 37.5599 176.1047 51 L 4.2828 8.5400 127.3252 54.0461 42.6166 175.4788 52 P 4.5848 0.0000 0.0000 62.0872 32.5355 177.6261 53 R 4.8372 8.6457 118.8495 58.4912 29.7287 179.1144 54 R 4.0697 8.0807 114.4654 58.2424 29.6729 177.7669 55 R 4.4998 7.7232 118.1335 57.7438 31.7397 177.5819 56 T 4.5561 8.6202 108.8843 62.0414 68.7837 175.8195 57 G 3.9950 8.0817 109.1532 46.2312 0.0000 173.7821 58 L 4.4865 7.3302 119.5936 53.7718 43.4465 176.3890 59 S 4.9146 8.2018 113.6416 56.5992 66.6167 174.6916 60 G 3.9204 8.5451 108.2893 48.4420 0.0000 175.5799 61 K 3.9050 7.9686 121.6897 58.9887 32.2345 178.3944 62 E 3.8526 8.0307 118.2796 59.4289 29.4434 178.7700 63 Q 3.7740 8.7602 119.6862 59.7085 28.5360 179.3042 64 R 3.9124 8.0494 119.3569 59.3478 29.8780 178.5170 65 I 3.8950 7.3167 118.6606 63.7252 37.4033 177.7155 66 L 4.0350 8.1948 121.3915 58.0369 41.9417 178.5020 67 A 3.9346 7.9111 120.5392 55.5422 18.0756 179.4847 68 K 3.8486 7.7574 116.2950 59.8758 32.0510 179.1764 69 T 3.9987 8.4674 116.3350 66.8050 68.7045 176.8806 70 I 3.6987 7.8468 121.0479 64.4533 36.9087 178.5051 71 K 3.9968 8.2078 119.4053 59.2053 31.8738 179.6692 72 R 3.8557 7.6843 118.1524 59.0516 30.0665 178.6490 73 A 4.0780 8.2071 120.7437 55.4931 18.0916 179.9319 74 R 4.3583 7.3595 116.2062 58.8039 30.0079 179.1374 75 I 4.0603 7.1738 118.8637 64.4792 37.2485 178.2151 76 L 4.1999 7.7941 118.6973 56.3621 41.4603 178.3527 77 G 4.1654 7.7759 105.1334 45.2720 0.0000 174.2817 78 L 4.2503 7.7796 119.8064 55.8571 42.5007 177.0344 79 L 4.7883 7.4351 117.5238 51.7055 44.6405 174.2601 80 P 4.7660 0.0000 0.0000 62.9266 32.0315 176.1729 81 F 4.4630 8.5322 117.2604 58.9236 39.9993 176.1323 82 T 4.4519 7.2798 110.9287 61.3943 69.4967 171.5858 83 E 4.8362 8.2564 125.0426 54.3733 33.5206 174.9252 84 K 4.4496 8.2982 119.5977 55.1640 33.3874 176.7141 85 L 4.1601 8.3314 124.8874 54.6133 42.7976 175.9516 86 V 4.2236 8.4025 125.0488 62.2058 33.2058 174.7030 87 R 4.1901 9.3274 126.0165 56.5056 29.4241 175.9163 88 K 3.9704 8.2463 121.2853 57.4051 32.3730 174.0533 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 16 P 0.00 4.28 0.00 2.24 2.25 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 17 S 8.84 4.13 0.00 4.13 4.09 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 0.00 0.00 0.00 0.00 18 R 8.51 4.31 0.00 1.86 1.90 0.00 3.34 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 19 K 7.08 4.32 0.00 1.70 1.66 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 20 A 8.03 4.31 1.23 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 0.00 0.00 0.00 21 K 8.06 3.91 0.00 2.08 1.93 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.51 7.81 22 V 8.84 3.55 2.36 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 0.47 0.00 0.00 1.00 0.00 0.00 23 K 8.63 4.52 0.00 2.11 1.93 0.00 2.05 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.61 7.81 24 A 8.32 4.17 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 25 T 7.68 4.26 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 1.21 0.00 0.00 26 L 6.99 4.31 0.00 1.45 1.79 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.40 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 0.00 0.00 0.00 0.00 28 E 8.67 4.20 0.00 1.98 1.89 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 2.32 2.36 0.00 29 F 7.71 4.86 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.41 0.00 2.81 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 31 L 8.42 4.43 0.00 1.63 1.74 0.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.02 4.34 0.00 2.01 2.05 0.00 3.19 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 33 D 8.07 4.37 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 4.75 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.71 4.47 0.00 1.55 1.85 0.00 3.11 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.00 36 N 8.45 5.36 0.00 2.96 2.72 0.00 0.00 7.05 7.47 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 37 V 7.62 3.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 38 E 8.25 4.08 0.00 2.13 2.15 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 2.31 2.27 0.00 39 V 7.90 3.80 1.96 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 0.76 0.00 0.00 0.27 0.00 0.00 40 L 8.08 3.99 0.00 1.72 1.82 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.12 3.79 0.00 1.79 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 42 R 7.49 3.75 0.00 1.53 1.30 0.00 3.20 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 43 F 8.70 4.71 0.00 3.26 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 44 L 7.57 4.84 0.00 1.85 1.59 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.03 4.48 0.00 3.89 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 0.00 46 E 8.80 4.03 0.00 1.97 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 0.00 2.32 2.40 0.00 47 T 6.91 4.87 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 1.31 0.00 0.00 48 G 8.64 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 49 K 8.34 4.43 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 50 I 8.30 4.29 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 1.36 0.47 0.91 0.00 0.00 51 L 8.54 4.28 0.00 1.77 1.66 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.19 2.00 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 R 8.65 4.84 0.00 1.85 1.96 0.00 3.56 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.51 0.00 54 R 8.08 4.07 0.00 1.95 2.08 0.00 3.05 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 55 R 7.72 4.50 0.00 1.85 2.01 0.00 3.42 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 56 T 8.62 4.56 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 1.34 0.00 0.00 57 G 8.08 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 0.00 0.00 0.00 58 L 7.33 4.49 0.00 1.56 1.59 0.39 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.20 4.91 0.00 4.04 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 60 G 8.55 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 0.00 0.00 0.00 61 K 7.97 3.90 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 62 E 8.03 3.85 0.00 2.26 1.89 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 2.27 2.27 0.00 63 Q 8.76 3.77 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 64 R 8.05 3.91 0.00 2.06 2.06 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 65 I 7.32 3.90 1.96 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 1.40 0.89 0.92 0.00 0.00 66 L 8.19 4.03 0.00 1.58 1.75 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.91 3.93 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 68 K 7.76 3.85 0.00 1.91 1.99 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81 69 T 8.47 4.00 4.43 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 1.40 0.00 0.00 70 I 7.85 3.70 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.20 0.89 0.00 0.00 71 K 8.21 4.00 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 72 R 7.68 3.86 0.00 1.95 1.74 0.00 3.01 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 73 A 8.21 4.08 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 74 R 7.36 4.36 0.00 1.50 0.66 0.00 2.83 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 75 I 7.17 4.06 2.01 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 1.67 0.70 0.95 0.00 0.00 76 L 7.79 4.20 0.00 1.83 1.80 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.78 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.78 4.25 0.00 1.66 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.79 0.00 1.56 1.41 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.77 0.00 2.20 2.06 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 81 F 8.53 4.46 0.00 3.02 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 82 T 7.28 4.45 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 1.28 0.00 0.00 83 E 8.26 4.84 0.00 2.03 1.78 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 2.29 2.35 0.00 84 K 8.30 4.45 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 85 L 8.33 4.16 0.00 1.59 1.57 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.40 4.22 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 0.89 0.00 0.00 0.93 0.00 0.00 87 R 9.33 4.19 0.00 1.96 2.17 0.00 3.33 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 88 K 8.25 3.97 0.00 1.68 1.62 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.24 7.81