NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2786 8.1233 122.4554 51.7528 20.8767 175.7723 2 D 4.5807 8.4541 119.9642 53.4165 40.5573 175.7235 3 C 4.5099 9.4228 125.1715 59.4605 40.5131 174.1530 4 A 4.7149 7.2551 117.7504 50.6234 22.3812 175.3872 5 K 4.6848 8.5379 121.4365 54.3571 35.4593 175.9292 6 G 3.9508 8.0551 113.2679 46.5255 0.0000 171.3826 7 K 4.9683 8.2363 118.5399 54.7063 33.5221 177.4831 8 I 4.0473 8.1901 123.8525 61.4657 37.3549 176.1143 9 E 4.4025 9.2154 126.9318 59.0365 30.1662 176.9617 10 F 5.1143 7.3864 111.9939 55.9743 41.0163 173.2419 11 S 5.3096 8.8400 113.6504 56.7996 66.5237 173.0774 12 K 4.4907 8.2752 121.2030 55.3115 36.0622 173.8485 13 Y 4.5835 8.6773 128.5256 56.7566 40.2929 174.4635 14 N 4.9203 8.5512 124.4999 51.5083 40.4898 175.8467 15 E 3.9927 8.6667 120.8416 59.1591 29.8229 177.1693 16 D 4.6113 7.9208 116.1445 53.0528 39.4863 176.6916 17 D 4.2351 8.4276 117.5399 55.2239 39.2416 174.0103 18 T 4.1140 7.6324 111.0061 60.8092 71.2733 173.1075 19 F 5.1537 9.1902 122.9833 56.7915 42.8573 173.3399 20 T 5.4161 8.8138 122.1484 61.9622 71.6193 173.5840 21 V 4.8233 9.0361 117.8544 59.4079 36.1371 174.3284 22 K 4.6052 8.1000 124.8341 54.6831 34.0821 175.2080 23 V 4.4566 8.5644 127.2628 61.5613 35.0193 174.7889 24 D 4.4217 9.7756 127.0186 55.4434 39.4624 174.1196 25 G 3.9497 9.2449 103.7414 45.4377 0.0000 173.8108 26 K 4.5630 7.8108 118.6766 54.3160 36.0374 174.9126 27 E 4.8704 8.7754 123.1499 55.2121 31.6967 174.8120 28 Y 5.3638 9.0541 120.9651 55.9664 42.4150 174.3965 29 W 5.5375 8.7457 119.5912 55.0952 31.8248 174.2970 30 T 4.4433 9.0808 115.5066 60.3539 70.1611 174.2651 31 S 4.3306 8.6188 121.0025 57.9957 64.1231 174.1880 32 R 4.0066 7.6697 122.1670 55.8386 29.6332 177.3669 33 W 4.3928 8.8950 124.8219 59.7454 28.8461 178.1525 34 N 4.4381 8.2869 115.8167 55.7783 37.0765 176.6591 35 L 4.2656 7.9350 120.2320 56.5621 41.7119 179.0368 36 Q 2.9533 7.6509 119.2848 58.2147 28.6422 177.0467 37 P 4.2203 0.0000 0.0000 65.7763 31.2764 178.3657 38 L 3.8125 7.7381 118.3371 57.5621 41.4889 179.2818 39 L 4.3569 8.6116 119.3642 57.8839 41.5492 179.3158 40 Q 4.1682 8.4149 119.7357 59.2809 28.9958 178.4440 41 S 4.1423 8.6432 116.5830 61.4038 62.7541 176.4619 42 A 4.0723 8.3383 123.7033 55.1921 18.0545 179.3605 43 Q 3.9792 8.5257 118.3492 59.5357 28.9368 178.6284 44 L 4.1027 8.2890 119.3180 57.2349 41.7393 178.6103 45 T 4.5043 7.8308 106.6600 60.5321 69.2669 174.6982 46 G 3.9157 7.7538 109.1471 47.0622 0.0000 174.0833 47 M 4.3542 8.2142 119.4131 55.1186 33.5384 176.0905 48 T 4.2965 8.1625 119.6992 63.5725 69.7926 174.2561 49 V 4.7231 8.9943 119.9828 59.7788 35.3065 174.9545 50 T 4.7074 8.3259 120.0096 61.8562 71.1394 173.3450 51 I 3.8553 8.2685 128.8606 60.0684 38.4561 175.1217 52 K 4.8941 7.9756 126.7317 54.6883 34.2603 175.5025 53 S 4.6254 8.4711 118.2141 57.5120 65.5000 174.7989 54 S 4.3674 8.7790 117.2049 59.8540 63.4037 174.3893 55 T 4.6961 7.5950 110.1646 60.2132 71.2420 174.1743 56 C 5.0753 8.1424 119.5053 56.6334 37.5209 174.4112 57 E 4.1985 7.9759 120.3376 55.8873 29.7252 176.3235 58 S 3.8205 8.2741 116.5464 60.0717 62.7529 174.6628 59 G 4.0812 9.0359 116.0011 45.0675 0.0000 173.8576 60 S 4.5672 7.9116 116.2525 58.3358 64.2794 174.0496 61 G 2.5466 8.2702 109.5804 44.8322 0.0000 172.4242 62 F 4.9915 7.7212 114.3672 55.5142 41.0399 174.3792 63 A 4.3641 8.5217 118.4638 51.4686 21.0308 175.3562 64 E 4.9070 8.1430 117.9411 54.5026 33.0129 174.7388 65 V 4.7321 8.3009 124.5976 60.5111 34.4363 172.9433 66 Q 4.4821 8.5911 124.7417 54.3738 31.5920 174.1778 67 F 4.9377 8.7460 124.1344 56.1686 40.5442 174.6863 68 N 5.0067 9.2167 121.9887 51.8355 41.2317 175.7526 69 N 4.5504 8.7207 116.0088 53.7342 39.4319 175.3959 70 D 4.5160 7.9378 122.8445 53.4970 39.7461 176.0989 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 A 8.12 4.28 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 2 D 8.45 4.58 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.42 4.51 0.00 2.36 2.94 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 4 A 7.26 4.71 1.07 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 5 K 8.54 4.68 0.00 1.61 1.57 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.35 7.81 6 G 8.06 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 7 K 8.24 4.97 0.00 1.66 1.76 0.00 1.81 0.00 0.00 2.44 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.31 7.81 8 I 8.19 4.05 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 1.02 0.00 0.00 9 E 9.22 4.40 0.00 1.67 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 2.33 2.45 0.00 10 F 7.39 5.11 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 5.31 0.00 3.62 4.03 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 0.00 0.00 0.00 12 K 8.28 4.49 0.00 1.86 1.67 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.37 7.81 13 Y 8.68 4.58 0.00 3.35 2.92 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 14 N 8.55 4.92 0.00 2.81 2.60 0.00 0.00 6.23 7.22 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 15 E 8.67 3.99 0.00 1.94 1.97 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 2.32 2.35 0.00 16 D 7.92 4.61 0.00 2.70 2.62 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 17 D 8.43 4.24 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.63 4.11 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 19 F 9.19 5.15 0.00 2.95 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 20 T 8.81 5.42 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 1.33 0.00 0.00 21 V 9.04 4.82 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 0.98 0.00 0.00 1.00 0.00 0.00 22 K 8.10 4.61 0.00 0.79 0.79 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.23 7.81 23 V 8.56 4.46 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 0.79 0.00 0.00 0.82 0.00 0.00 24 D 9.78 4.42 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.24 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 26 K 7.81 4.56 0.00 1.83 1.21 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.25 1.48 7.81 27 E 8.78 4.87 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 28 Y 9.05 5.36 0.00 2.71 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 29 W 8.75 5.54 0.00 3.45 3.20 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 0.00 30 T 9.08 4.44 2.69 0.00 0.00 0.00 0.00 0.00 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 31 S 8.62 4.33 0.00 3.87 4.10 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 0.00 0.00 0.00 32 R 7.67 4.01 0.00 1.74 2.17 0.00 3.29 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 33 W 8.90 4.39 0.00 3.43 3.20 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 0.00 34 N 8.29 4.44 0.00 2.91 3.02 0.00 0.00 6.06 7.79 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 35 L 7.93 4.27 0.00 1.86 1.86 0.89 0.90 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 36 Q 7.65 2.95 0.00 1.96 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.84 2.39 0.00 37 P 0.00 4.22 0.00 2.22 2.29 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 38 L 7.74 3.81 0.00 1.82 1.14 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.61 4.36 0.00 1.86 2.09 1.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.41 4.17 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 41 S 8.64 4.14 0.00 3.98 3.85 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 42 A 8.34 4.07 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 3.98 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 44 L 8.29 4.10 0.00 1.84 1.76 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.83 4.50 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 1.25 0.00 0.00 46 G 7.75 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 47 M 8.21 4.35 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 48 T 8.16 4.30 4.35 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 0.00 0.00 0.00 1.20 0.00 0.00 49 V 8.99 4.72 1.71 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 0.71 0.00 0.00 0.84 0.00 0.00 50 T 8.33 4.71 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 1.09 0.00 0.00 51 I 8.27 3.86 0.97 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.08 -0.37 0.00 0.00 52 K 7.98 4.89 0.00 1.51 1.59 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.16 7.81 53 S 8.47 4.63 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.78 4.37 0.00 4.01 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 55 T 7.59 4.70 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 C 8.14 5.08 0.00 2.82 3.20 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 0.00 57 E 7.98 4.20 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 58 S 8.27 3.82 0.00 3.67 3.68 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 59 G 9.04 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 60 S 7.91 4.57 0.00 4.10 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 61 G 8.27 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.72 4.99 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.52 4.36 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.14 4.91 0.00 1.99 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 2.21 2.25 0.00 65 V 8.30 4.73 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 0.69 0.00 0.00 0.33 0.00 0.00 66 Q 8.59 4.48 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 67 F 8.75 4.94 0.00 3.00 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 68 N 9.22 5.01 0.00 2.83 2.91 0.00 0.00 6.60 6.49 0.00 0.00 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 N 8.72 4.55 0.00 2.72 2.87 0.00 0.00 6.94 8.06 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 70 D 7.94 4.52 0.00 2.76 2.65 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