NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3644 8.3044 120.3461 55.2997 33.3530 174.5356 21 K 4.2031 8.3759 126.8000 53.3983 34.1458 174.1803 22 T 4.6201 7.5981 110.1749 60.7263 71.1328 172.6938 23 E 5.2916 7.0370 118.4788 54.8656 33.0769 175.1132 24 W 5.0377 8.9255 118.7941 54.3149 29.4731 174.5187 25 P 4.2940 0.0000 0.0000 65.3618 31.4588 178.2326 26 E 4.4139 8.2357 113.0466 57.1350 29.8886 176.9112 27 L 4.4866 8.0824 119.8218 54.7681 42.6856 176.6219 28 V 3.9245 7.1815 118.4422 64.5212 31.6115 176.1765 29 G 3.9953 9.4851 116.6249 45.2118 0.0000 173.6269 30 K 4.3642 7.8494 119.4947 55.1287 33.3984 176.5149 31 S 4.9392 8.1297 117.2152 57.6249 65.1243 175.4458 32 V 3.5122 7.8689 120.2025 65.9475 30.8620 177.7815 33 E 3.8731 8.0737 118.8288 58.9829 29.4914 177.8316 34 E 4.1114 8.4400 118.3848 57.8681 29.8429 177.9432 35 A 3.9556 8.1856 121.4433 55.0444 18.3584 179.6442 36 K 3.7629 8.1024 117.0642 59.4239 32.1190 179.4538 37 K 3.9042 7.6947 119.6609 59.3318 32.0415 179.0638 38 V 3.5588 7.4896 118.3665 66.1546 31.5295 177.9578 39 I 3.1734 7.5056 119.4683 64.3757 36.6320 178.5509 40 L 4.2424 7.6725 118.3697 57.5823 41.4207 179.3423 41 Q 4.1538 7.7981 117.6670 59.0836 28.7995 178.0152 42 D 4.8809 8.3379 118.3121 55.2681 42.3334 176.8969 43 K 4.6032 8.5841 120.6341 53.6356 32.7490 174.2118 44 P 4.3740 0.0000 0.0000 64.4967 31.6360 177.1652 45 E 4.4408 8.0227 113.3319 55.6633 29.8373 175.5874 46 A 4.2425 7.6039 121.2689 53.0673 19.1925 177.9693 47 Q 4.4027 9.0179 121.4989 54.2518 30.6715 174.7969 48 I 4.5183 8.1632 125.7343 60.4288 38.3205 175.5490 49 I 4.3516 8.4861 128.1411 59.3403 39.8865 174.7122 50 V 4.5400 8.3228 127.1158 61.2807 32.7388 174.6253 51 L 4.8121 8.3312 128.1144 51.9496 45.4374 174.7501 52 P 4.8725 0.0000 0.0000 62.1518 32.6504 176.2883 53 V 3.8520 8.4039 123.4587 64.8479 31.8771 176.5038 54 G 4.0552 8.9161 114.2816 45.5183 0.0000 173.9421 55 T 4.0813 7.4521 117.2681 63.4828 68.9240 173.9451 56 I 4.2315 8.3158 127.2177 60.4478 38.2127 175.7549 57 V 4.4562 8.1506 118.5254 59.6094 33.6649 175.7460 58 T 4.2263 8.1881 112.6790 61.5866 69.5416 175.5200 59 M 4.3644 8.3549 122.6659 54.0664 29.7834 173.3370 60 E 4.5177 8.0467 121.7366 55.1090 31.9099 175.5334 61 Y 4.3935 8.7402 125.8044 56.7180 39.6764 174.5600 62 R 4.3196 7.7228 125.7027 54.0176 32.8776 176.4240 63 I 3.5045 8.1210 123.5672 63.0891 38.3556 175.9266 64 D 4.6196 7.8339 118.0670 53.3963 40.3971 175.4421 65 R 4.7992 7.4243 121.5210 55.3908 32.2001 175.3097 66 V 4.6742 8.6490 124.9569 61.3041 34.4103 174.1911 67 R 4.7662 8.6913 127.3584 55.1734 31.5473 175.9312 68 L 4.6060 9.0770 124.6968 53.0863 44.1776 175.4366 69 F 5.5230 8.8324 123.0615 55.6450 40.4771 175.3749 70 V 4.9646 8.3264 117.4140 59.7910 34.8056 175.7793 71 D 5.2297 8.4822 122.9710 52.0893 41.7735 177.1519 72 K 3.9530 8.8350 116.8272 59.0154 32.0371 177.8692 73 L 4.5179 8.1041 116.9037 53.7186 42.1050 175.6970 74 D 4.4125 8.0834 118.0262 55.5306 38.6394 172.9681 75 N 5.0845 8.4130 115.1612 51.0804 40.8019 175.2345 76 V 3.8832 8.9551 122.2153 63.3322 31.8459 176.4906 77 A 4.3459 8.9979 130.7284 52.6178 19.9056 175.7889 78 E 4.7146 7.7682 111.5877 54.0206 32.9553 174.8922 79 V 3.8388 8.2731 118.9142 62.3587 32.0059 173.8487 80 P 4.7081 0.0000 0.0000 62.9293 32.3742 175.8165 81 R 6.0300 8.4985 121.1812 53.5277 34.3851 175.0990 82 V 4.0630 8.8022 121.9184 62.0864 32.6074 176.2436 83 G 3.4849 8.4791 115.3491 45.9083 0.0000 172.2893 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 20 M 8.30 4.36 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 21 K 8.38 4.20 0.00 1.65 1.45 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.18 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.01 7.81 22 T 7.60 4.62 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 1.22 0.00 0.00 23 E 7.04 5.29 0.00 2.10 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 2.06 2.19 0.00 24 W 8.93 5.04 0.00 3.40 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.19 2.12 0.00 3.56 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 2.09 2.07 0.00 26 E 8.24 4.41 0.00 2.12 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 2.38 2.35 0.00 27 L 8.08 4.49 0.00 1.97 1.77 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.18 3.92 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 0.76 0.00 0.00 1.04 0.00 0.00 29 G 9.49 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 30 K 7.85 4.36 0.00 1.89 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 31 S 8.13 4.94 0.00 4.03 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 32 V 7.87 3.51 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 0.93 0.00 0.00 0.95 0.00 0.00 33 E 8.07 3.87 0.00 2.05 1.91 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 2.36 2.34 0.00 34 E 8.44 4.11 0.00 2.06 1.91 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 2.27 2.31 0.00 35 A 8.19 3.96 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 36 K 8.10 3.76 0.00 1.94 1.80 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.58 7.81 37 K 7.69 3.90 0.00 1.94 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 38 V 7.49 3.56 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 1.22 0.00 0.00 1.02 0.00 0.00 39 I 7.51 3.17 1.45 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 0.29 0.00 0.00 40 L 7.67 4.24 0.00 1.67 1.70 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.80 4.15 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 42 D 8.34 4.88 0.00 3.12 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 43 K 8.58 4.60 0.00 1.95 1.84 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.71 7.81 44 P 0.00 4.37 0.00 2.09 2.12 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 45 E 8.02 4.44 0.00 2.06 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 0.00 2.20 2.23 0.00 46 A 7.60 4.24 1.27 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 0.00 0.00 0.00 0.00 0.00 47 Q 9.02 4.40 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 48 I 8.16 4.52 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.35 0.79 0.00 0.00 49 I 8.49 4.35 1.76 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 1.19 1.26 0.79 0.00 0.00 50 V 8.32 4.54 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 0.73 0.00 0.00 0.84 0.00 0.00 51 L 8.33 4.81 0.00 0.75 1.28 0.69 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.87 0.00 2.12 1.99 0.00 3.60 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 2.08 0.00 53 V 8.40 3.85 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 0.75 0.00 0.00 1.02 0.00 0.00 54 G 8.92 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 0.00 0.00 0.00 55 T 7.45 4.08 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 I 8.32 4.23 1.90 0.00 0.00 0.87 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 0.52 0.94 0.00 0.00 57 V 8.15 4.46 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 0.94 0.00 0.00 1.05 0.00 0.00 58 T 8.19 4.23 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 59 M 8.35 4.36 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 60 E 8.05 4.52 0.00 2.07 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 2.19 2.28 0.00 61 Y 8.74 4.39 0.00 2.91 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 62 R 7.72 4.32 0.00 1.71 1.81 0.00 3.13 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 63 I 8.12 3.50 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.88 0.00 0.00 64 D 7.83 4.62 0.00 2.98 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 65 R 7.42 4.80 0.00 1.88 1.98 0.00 2.99 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 66 V 8.65 4.67 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 0.67 0.00 0.00 0.81 0.00 0.00 67 R 8.69 4.77 0.00 1.80 1.49 0.00 3.34 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 68 L 9.08 4.61 0.00 1.37 1.50 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.83 5.52 0.00 3.06 3.04 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 70 V 8.33 4.96 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 0.75 0.00 0.00 0.97 0.00 0.00 71 D 8.48 5.23 0.00 2.74 2.86 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 0.00 0.00 0.00 72 K 8.83 3.95 0.00 1.77 1.93 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 73 L 8.10 4.52 0.00 1.74 1.67 0.92 1.06 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 74 D 8.08 4.41 0.00 2.82 2.70 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 75 N 8.41 5.08 0.00 2.85 2.72 0.00 0.00 6.71 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.96 3.88 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 77 A 9.00 4.35 1.36 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 0.00 0.00 0.00 78 E 7.77 4.71 0.00 2.04 1.91 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 2.27 2.32 0.00 79 V 8.27 3.84 2.14 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 0.91 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.71 0.00 2.30 1.99 0.00 3.86 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 81 R 8.50 6.03 0.00 1.77 1.90 0.00 3.33 0.00 0.00 3.94 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 82 V 8.80 4.06 2.25 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 0.84 0.00 0.00 1.21 0.00 0.00 83 G 8.48 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00