NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5919 8.3644 120.5305 53.5924 42.3143 174.6191 8 K 3.9807 8.3856 122.0806 55.9678 32.7655 174.6744 9 R 4.6886 8.3004 123.9856 54.4635 33.8770 174.6402 10 T 4.7049 8.2527 111.4678 59.7689 71.7527 173.9025 11 C 4.6110 8.5694 120.2646 56.4200 41.3303 173.8089 12 V 4.0086 8.3932 123.0387 63.6545 32.4259 176.0358 13 S 4.7901 7.7344 113.0934 56.4855 66.4049 172.9106 14 L 4.6996 8.2153 122.9530 52.8872 43.3308 176.6775 15 T 4.0325 8.5506 117.6619 62.9971 67.7258 173.6478 16 T 4.5886 8.4422 118.2497 61.6606 68.2089 173.5918 17 Q 4.5237 7.5981 118.3803 54.2498 31.3737 175.8775 18 R 2.0000 7.7392 120.6320 55.1257 30.6521 175.6212 19 L 4.4986 6.7855 121.5451 52.1911 44.3643 174.5654 20 P 4.3205 0.0000 0.0000 62.2207 32.2041 177.7393 21 V 3.5109 8.5162 122.6583 64.8056 31.2884 178.0408 22 S 4.4345 7.9599 111.3843 58.7231 62.5400 174.6394 23 R 4.5863 8.2385 118.9145 55.9907 32.3312 175.4797 24 I 4.3807 7.3399 118.0921 60.8036 38.1619 174.7086 25 K 4.5850 8.8620 122.8162 58.1602 34.2687 175.4499 26 T 4.8871 7.3258 107.5218 62.4301 72.0261 171.2982 27 Y 5.4717 8.3536 117.0755 58.2767 40.4812 172.5334 28 T 4.4518 7.9346 109.2301 60.2934 72.7662 173.0753 29 I 5.2772 7.8730 119.2373 58.4783 36.7220 175.9746 30 T 3.9115 7.8261 114.1128 62.0605 69.5402 174.1529 31 E 4.6519 8.5213 122.7393 54.3863 31.1348 175.9159 32 G 4.3704 7.8672 117.1346 44.2752 0.0000 172.4836 33 S 4.1174 8.7591 114.2579 60.4442 63.2115 174.4497 34 L 4.5915 7.0949 121.7268 52.2730 41.7887 175.1220 35 R 4.0794 8.0826 122.1601 56.1753 31.0577 175.1420 36 A 4.4458 8.2774 123.4842 51.2627 23.5919 175.0964 37 V 4.0556 8.2150 119.8440 61.7329 33.2348 174.9863 38 I 4.6571 8.1172 129.6456 59.7415 38.3772 175.1142 39 F 4.8320 9.1644 127.2418 57.2422 40.7602 175.3994 40 I 5.0953 8.5128 122.8248 59.4384 39.1953 175.4161 41 T 4.5289 8.8016 118.3241 61.5398 69.3072 175.6493 42 K 3.9096 9.1309 122.3650 58.8588 32.1438 178.0276 43 R 4.3820 7.7759 116.6604 55.6650 30.2627 176.0320 44 G 4.1238 8.1006 104.0212 45.6285 0.0000 174.6215 45 L 4.2651 8.0412 120.2590 54.6152 43.1323 176.5513 46 K 5.0405 8.6682 121.2342 55.1000 34.2020 175.5801 47 V 4.5091 8.6744 119.2019 59.8065 34.0851 175.0011 48 C 5.1953 8.7996 121.5755 56.3495 43.4253 172.4178 49 A 5.1582 8.8557 122.9500 50.0997 23.4353 175.0219 50 D 4.5886 8.5553 119.0437 53.5910 41.6027 175.5689 51 P 4.2974 0.0000 0.0000 64.3265 31.6189 177.0227 52 Q 4.1856 8.2085 116.2570 56.5479 29.5463 176.6765 53 A 4.0625 7.3844 121.2144 51.8085 19.6837 177.9507 54 T 3.7725 8.5878 122.0431 66.6124 68.8373 176.7878 55 W 4.3286 8.2801 117.9199 59.5787 27.9285 178.3404 56 V 2.9195 6.3880 118.2909 65.5341 31.0133 177.5135 57 R 3.7541 7.7673 118.5722 59.7571 29.7204 177.8999 58 D 4.3561 8.3893 118.7567 57.4858 40.7511 179.2203 59 V 3.5396 7.6078 118.2591 65.9652 31.5806 178.1079 60 V 3.0998 8.1573 118.3859 65.8333 31.2065 178.0833 61 R 3.8217 8.1025 118.3098 59.6027 30.2093 178.3135 62 S 4.2944 8.3100 113.1640 61.6894 62.2129 176.1094 63 M 4.2363 8.4783 121.7373 58.2658 31.9358 178.3635 64 D 4.4795 8.2049 119.1331 57.2253 40.8403 178.1329 65 R 4.1603 8.4584 116.8722 57.2650 30.2625 176.8691 66 K 4.4723 7.6785 116.7153 57.0125 33.2629 176.4033 67 S 4.6728 7.9068 111.1573 58.4091 62.6994 173.7476 68 N 4.6882 7.5454 118.1827 56.6475 39.4239 176.9339 69 T 3.9261 7.8235 115.0727 66.0432 69.0472 174.8686 70 R 4.4596 7.3501 119.1922 55.7344 30.7007 177.5971 71 N 4.8741 7.8033 113.8515 52.9716 40.5671 173.5429 72 N 4.6106 8.1239 119.3875 53.0427 38.3007 175.0953 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 7 D 8.36 4.59 0.00 2.68 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 8 K 8.39 3.98 0.00 1.79 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 R 8.30 4.69 0.00 1.79 1.79 0.00 3.20 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 T 8.25 4.70 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 11 C 8.57 4.61 0.00 2.98 3.06 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 12 V 8.39 4.01 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 0.83 0.00 0.00 0.94 0.00 0.00 13 S 7.73 4.79 0.00 3.86 3.72 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 14 L 8.22 4.70 0.00 1.67 1.64 0.93 0.88 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 15 T 8.55 4.03 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 1.61 0.00 0.00 16 T 8.44 4.59 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 17 Q 7.60 4.52 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 18 R 7.74 2.00 0.00 1.17 0.82 0.00 2.83 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 19 L 6.79 4.50 0.00 1.51 1.44 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.32 0.00 2.16 1.90 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 21 V 8.52 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 0.75 0.00 0.00 0.92 0.00 0.00 22 S 7.96 4.43 0.00 3.99 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 23 R 8.24 4.59 0.00 1.94 1.90 0.00 3.27 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 24 I 7.34 4.38 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 1.13 0.00 0.00 25 K 8.86 4.59 0.00 1.78 2.03 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 26 T 7.33 4.89 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 1.24 0.00 0.00 27 Y 8.35 5.47 0.00 2.78 3.10 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 28 T 7.93 4.45 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 1.14 0.00 0.00 29 I 7.87 5.28 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.68 0.89 0.00 0.00 30 T 7.83 3.91 4.22 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 1.19 0.00 0.00 31 E 8.52 4.65 0.00 1.91 1.88 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 2.24 2.31 0.00 32 G 7.87 4.37 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 0.00 33 S 8.76 4.12 0.00 3.98 4.02 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 34 L 7.09 4.59 0.00 1.67 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.08 4.08 0.00 1.79 1.79 0.00 3.62 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 36 A 8.28 4.45 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 37 V 8.21 4.06 1.56 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 0.04 0.00 0.00 0.69 0.00 0.00 38 I 8.12 4.66 1.85 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 1.20 1.06 0.93 0.00 0.00 39 F 9.16 4.83 0.00 3.06 2.96 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 40 I 8.51 5.10 1.96 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 1.35 1.02 0.96 0.00 0.00 41 T 8.80 4.53 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 1.27 0.00 0.00 42 K 9.13 3.91 0.00 1.73 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.59 7.81 43 R 7.78 4.38 0.00 1.76 1.91 0.00 3.22 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 44 G 8.10 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.04 4.27 0.00 1.70 1.64 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.67 5.04 0.00 1.63 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.46 7.81 47 V 8.67 4.51 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 0.80 0.00 0.00 1.25 0.00 0.00 48 C 8.80 5.20 0.00 3.03 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 49 A 8.86 5.16 1.24 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 50 D 8.56 4.59 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 52 Q 8.21 4.19 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 53 A 7.38 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.59 3.77 4.31 0.00 0.00 0.00 0.00 0.00 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 55 W 8.28 4.33 0.00 3.58 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 6.39 2.92 1.75 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 0.62 0.00 0.00 -0.63 0.00 0.00 57 R 7.77 3.75 0.00 1.80 2.04 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 58 D 8.39 4.36 0.00 3.04 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.54 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 0.84 0.00 0.00 1.05 0.00 0.00 60 V 8.16 3.10 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 0.72 0.00 0.00 0.59 0.00 0.00 61 R 8.10 3.82 0.00 2.00 2.06 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 62 S 8.31 4.29 0.00 4.01 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 63 M 8.48 4.24 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 64 D 8.20 4.48 0.00 2.91 2.78 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 0.00 0.00 0.00 65 R 8.46 4.16 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 66 K 7.68 4.47 0.00 2.25 1.88 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.47 7.81 67 S 7.91 4.67 0.00 3.98 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 68 N 7.55 4.69 0.00 3.19 2.78 0.00 0.00 7.19 7.10 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 69 T 7.82 3.93 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 70 R 7.35 4.46 0.00 1.87 1.95 0.00 3.36 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 1.64 1.85 0.00 71 N 7.80 4.87 0.00 2.82 2.87 0.00 0.00 7.07 7.66 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 72 N 8.12 4.61 0.00 3.04 2.90 0.00 0.00 6.20 7.56 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