NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7745 8.4293 120.6445 56.2681 32.4166 172.4609 1 M 4.6112 7.7910 114.2128 52.1050 35.2302 172.3603 2 Q 4.9851 7.8424 116.2432 54.2839 32.6395 175.2927 3 I 4.4568 8.2075 114.5634 59.0374 41.5407 174.1041 4 F 5.2458 8.6467 122.3875 56.5701 41.0730 175.1440 5 V 4.7141 8.8456 122.5379 60.9661 34.4541 174.3352 6 K 4.5887 8.8683 131.5631 55.6907 33.2237 176.9132 7 T 4.4947 8.9524 119.5396 60.3354 70.5901 175.2978 8 L 4.0029 8.7573 121.0132 58.4848 41.3885 179.4679 9 T 3.9706 7.7936 105.7660 62.8921 69.0055 175.1886 10 G 4.0405 8.0683 110.1475 44.6933 0.0000 173.8893 11 K 4.0133 7.6329 121.8253 57.1975 33.2318 175.4850 12 T 5.0815 8.5239 124.0916 62.1909 69.9041 174.1135 13 I 4.5835 8.7629 120.2364 59.7003 40.5983 174.4509 14 T 5.0691 8.4684 119.8313 61.9397 70.6651 173.7096 15 L 4.7713 8.6782 125.5331 52.7984 45.4214 175.2223 16 E 4.4928 8.6762 123.6152 55.3162 30.2486 175.3338 17 V 4.7983 8.4258 119.2506 59.7810 36.8038 174.2511 18 E 4.8074 8.8982 120.2820 53.9220 32.4443 176.1107 19 P 4.2397 0.0000 0.0000 64.9792 31.6656 178.7625 20 S 4.2911 7.8475 113.5206 60.6320 63.3135 174.6121 21 D 4.5542 8.0572 121.4843 54.3975 41.2986 176.1687 22 T 4.4126 8.4314 113.7725 61.1580 71.4131 176.2757 23 I 3.8114 8.2029 122.6072 64.1184 37.0031 178.6623 24 E 3.9780 8.2218 119.5187 59.4779 29.2902 178.7935 25 N 4.2852 7.8141 116.0190 56.4195 38.4970 177.3484 26 V 3.5699 7.7497 119.4925 66.2828 31.4786 178.2201 27 K 4.3792 8.4777 118.9688 58.8935 31.8436 179.2061 28 A 3.9967 8.1549 121.0743 55.1611 17.6955 179.8415 29 K 4.0108 8.5121 117.0404 59.1133 31.9953 179.5672 30 I 3.9127 7.3537 120.4969 63.9173 37.2755 177.8807 31 Q 4.0619 8.0087 120.3985 59.4451 28.7020 178.0349 32 D 4.4555 7.7156 118.1970 57.0116 40.9259 178.1122 33 K 4.2738 7.2753 114.9879 57.4315 32.5293 176.6931 34 E 4.4602 8.0761 116.3157 54.8006 31.3731 176.3775 35 G 3.9611 8.7320 106.3955 45.0942 0.0000 173.2003 36 I 4.1388 7.3096 120.7300 59.4773 38.0972 173.9452 37 P 4.4032 0.0000 0.0000 61.7214 32.2013 175.2879 38 P 4.2109 0.0000 0.0000 65.9538 31.2846 177.7231 39 D 4.6119 8.0671 113.7622 54.6477 39.7554 176.3717 40 Q 4.4811 8.2017 118.9547 56.2546 30.3727 175.2500 41 Q 4.3128 7.9280 118.7432 55.6615 30.1393 175.3113 42 R 4.7714 9.1779 122.7559 54.3833 33.7090 174.3179 43 L 5.1288 8.5599 123.6842 53.1638 44.3893 175.3098 44 I 5.0170 9.0502 124.6176 59.4953 40.3359 174.3348 45 F 5.1590 8.5314 128.2910 56.8110 42.5745 174.6899 46 A 3.2198 9.2259 126.9639 52.9546 15.8169 178.3949 47 G 3.9524 8.3656 108.0263 46.7997 0.0000 174.7341 48 K 4.3306 7.4981 119.5566 55.2832 33.2398 175.7926 49 Q 4.5793 8.3702 123.9932 56.0069 29.9111 174.9109 50 L 4.2770 8.1912 125.6058 53.6740 43.2371 175.8382 51 E 4.6634 8.9647 122.7404 54.6781 31.5338 175.6798 52 D 4.4098 8.7160 124.5372 55.4065 41.6336 175.0841 53 G 4.2417 8.8924 116.4384 46.5303 0.0000 175.0183 54 R 4.1987 7.8332 120.2085 55.5788 30.7757 176.4640 55 T 4.9231 8.5617 111.5315 60.2255 70.8509 175.9462 56 L 4.1271 8.1068 121.8444 57.8723 41.3821 179.8873 57 S 4.0797 7.7088 111.8786 61.5312 62.1127 175.9402 58 D 4.2677 7.7691 120.4319 56.8155 40.5643 177.4061 59 Y 4.6432 7.2926 112.9021 56.6583 38.8375 174.7243 60 N 4.2366 8.1460 117.3755 54.5725 37.7781 174.2059 61 I 3.4992 8.1173 117.9612 60.7983 37.9398 175.8958 62 Q 4.5295 8.5417 123.3591 52.8835 31.8126 174.6771 63 K 3.1412 8.2445 119.0821 58.0470 31.9162 176.1200 64 W 3.8795 7.5806 122.7836 57.3187 27.5462 174.6421 65 S 4.5645 7.9966 115.6066 59.3157 63.5931 173.3776 66 T 5.0469 8.7313 118.9980 61.9848 70.5580 173.5682 67 L 4.9198 8.9446 126.8625 53.2620 44.6942 175.4101 68 F 5.0619 9.2638 120.5409 55.6669 41.8532 174.2837 69 L 5.0036 8.6452 126.0609 53.9567 42.8512 175.4203 70 L 4.9505 9.4480 125.8793 53.1991 46.0675 175.1867 71 L 4.9034 8.0034 117.4335 52.4608 45.1117 175.7990 72 R 4.6807 8.4949 117.1154 55.1551 32.5801 176.0585 73 L 4.6071 8.0249 123.6740 52.5855 41.6457 175.5782 74 R 4.1256 7.9953 120.9314 55.9597 31.0309 176.4785 75 G 4.2701 8.2151 108.5116 44.5793 0.0000 173.2038 76 G 3.7070 8.3493 109.2804 45.6289 0.0000 172.5583 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 0 H 8.43 4.77 0.00 3.34 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.79 4.61 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 2 Q 7.84 4.99 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.00 2.32 0.00 3 I 8.21 4.46 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.69 0.00 0.00 4 F 8.65 5.25 0.00 2.99 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 5 V 8.85 4.71 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 1.03 0.00 0.00 0.92 0.00 0.00 6 K 8.87 4.59 0.00 1.71 1.76 0.00 1.85 0.00 0.00 2.02 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.40 7.81 7 T 8.95 4.49 4.27 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 1.34 0.00 0.00 8 L 8.76 4.00 0.00 1.65 1.82 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.79 3.97 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 G 8.07 4.04 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 0.00 11 K 7.63 4.01 0.00 2.00 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 12 T 8.52 5.08 4.20 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 1.28 0.00 0.00 13 I 8.76 4.58 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.94 0.00 0.00 14 T 8.47 5.07 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 L 8.68 4.77 0.00 1.48 1.47 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.49 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 17 V 8.43 4.80 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 0.73 0.00 0.00 0.81 0.00 0.00 18 E 8.90 4.81 0.00 1.81 1.73 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 2.16 2.35 0.00 19 P 0.00 4.24 0.00 2.11 2.04 0.00 3.50 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 20 S 7.85 4.29 0.00 3.82 3.88 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 0.00 0.00 0.00 21 D 8.06 4.55 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.41 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 1.20 0.00 0.00 23 I 8.20 3.81 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 1.01 0.00 0.00 24 E 8.22 3.98 0.00 2.06 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 2.41 2.48 0.00 25 N 7.81 4.29 0.00 2.89 2.85 0.00 0.00 6.70 8.94 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 26 V 7.75 3.57 2.21 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.48 4.38 0.00 2.09 1.85 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.50 7.81 28 A 8.15 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 29 K 8.51 4.01 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.61 7.81 30 I 7.35 3.91 2.19 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 0.93 0.92 0.00 0.00 31 Q 8.01 4.06 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 7.72 4.46 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.28 4.27 0.00 1.96 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 E 8.08 4.46 0.00 1.98 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 2.22 2.28 0.00 35 G 8.73 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 36 I 7.31 4.14 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.92 0.00 0.00 37 P 0.00 4.40 0.00 2.18 1.97 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.21 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 39 D 8.07 4.61 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.48 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 41 Q 7.93 4.31 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 42 R 9.18 4.77 0.00 1.81 1.81 0.00 3.11 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 43 L 8.56 5.13 0.00 1.56 1.58 0.94 0.80 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 44 I 9.05 5.02 2.05 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 1.14 0.84 1.02 0.00 0.00 45 F 8.53 5.16 0.00 3.05 2.80 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 0.00 0.00 0.00 46 A 9.23 3.22 0.73 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 0.00 0.00 47 G 8.37 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.50 4.33 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.33 7.81 49 Q 8.37 4.58 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.19 4.28 0.00 1.50 1.53 0.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.96 4.66 0.00 2.10 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 2.33 2.41 0.00 52 D 8.72 4.41 0.00 2.69 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 53 G 8.89 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 0.00 0.00 0.00 0.00 54 R 7.83 4.20 0.00 1.83 1.56 0.00 3.27 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 55 T 8.56 4.92 4.42 0.00 0.00 0.00 0.00 0.00 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 56 L 8.11 4.13 0.00 1.59 1.68 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.71 4.08 0.00 4.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.27 0.00 2.59 2.26 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 59 Y 7.29 4.64 0.00 3.07 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 60 N 8.15 4.24 0.00 2.96 3.06 0.00 0.00 7.16 7.28 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 61 I 8.12 3.50 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.37 0.46 0.00 0.00 62 Q 8.54 4.53 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 63 K 8.24 3.14 0.00 1.39 1.42 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.30 0.59 7.81 64 W 7.58 3.88 0.00 3.71 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 65 S 8.00 4.56 0.00 3.72 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 66 T 8.73 5.05 4.18 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 0.00 0.00 0.78 0.00 0.00 67 L 8.94 4.92 0.00 1.53 1.56 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.26 5.06 0.00 2.94 2.97 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 69 L 8.65 5.00 0.00 1.69 1.76 0.95 0.91 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 70 L 9.45 4.95 0.00 1.77 1.54 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.00 4.90 0.00 1.58 1.58 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.49 4.68 0.00 1.76 1.81 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 73 L 8.02 4.61 0.00 1.54 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.00 4.13 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 G 8.22 4.27 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 0.00 76 G 8.35 3.71 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 0.00 0.00 0.00