NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0633 8.3101 121.7868 55.9934 34.0677 175.9529 20 A 3.7329 8.0541 119.1508 52.3895 13.8393 176.3352 21 K 4.1661 7.8637 121.9716 55.2219 34.4945 177.5818 22 V 3.6581 8.1564 124.2999 65.3454 31.9090 177.8573 23 K 3.8552 8.2106 120.7346 59.2357 31.9052 178.2975 24 A 4.6709 7.1025 119.9695 52.6198 19.3046 177.4758 25 T 4.4316 7.5776 116.8172 64.5710 70.2946 175.1628 26 L 4.7952 7.3053 120.2786 52.2797 45.6626 178.6905 27 G 3.8727 8.1808 113.2013 45.1394 0.0000 173.1105 28 E 4.0939 8.5579 124.3950 56.3596 30.4391 176.2348 29 F 4.8040 8.4281 116.1232 56.5392 40.1128 173.8732 30 D 4.6129 8.2396 122.5763 52.5549 39.6031 177.4753 31 L 3.8532 7.7210 124.7676 55.3300 39.6745 178.1535 32 R 4.3778 8.4704 117.1965 56.3063 31.3115 174.1313 33 D 4.5516 7.3075 117.4732 54.1838 41.3341 175.3117 34 Y 4.7680 8.0595 125.8136 57.4090 38.9111 176.2924 35 R 4.3588 7.8746 118.7605 58.8513 32.2178 178.4809 36 N 4.6692 7.7946 118.9541 52.5218 34.5613 175.0472 37 V 3.6271 8.1143 123.0901 65.5835 31.7086 177.4280 38 E 4.0883 8.0297 116.6386 59.0129 29.8763 178.6030 39 V 3.8365 7.8127 117.7493 66.1109 31.6722 177.6315 40 L 4.1033 8.0448 118.4034 58.0786 41.6206 179.3575 41 K 3.9906 8.1227 119.2905 59.8660 31.7940 177.9165 42 R 3.9934 7.7866 116.6797 58.1733 30.1366 176.4751 43 F 4.6627 8.8274 115.8101 57.9296 40.8700 175.1869 44 L 4.7408 7.7751 121.4496 53.3487 42.5790 176.8459 45 S 4.3870 8.9476 118.3614 58.0630 63.5643 175.1303 46 E 3.9887 8.7394 119.1841 59.9264 29.4949 178.9795 47 T 3.9975 7.9885 115.1744 66.6535 68.5981 175.2719 48 G 4.1480 7.6559 107.4565 45.0866 0.0000 173.8400 49 K 4.3907 8.1241 119.5537 55.3409 33.6997 176.6186 50 I 4.1114 8.1858 123.5090 61.6560 37.5853 176.0907 51 L 4.5296 8.2410 126.7340 53.3380 42.7302 175.0302 52 P 4.5278 0.0000 0.0000 62.3431 32.4028 176.5143 53 R 4.0064 8.5596 117.7943 59.3072 29.2752 177.4825 54 R 3.7487 7.5465 113.7404 60.6819 30.5570 177.8425 55 R 4.0539 8.0968 119.4546 58.7654 30.7679 178.1761 56 T 4.2291 7.1893 107.1735 62.3740 70.0913 175.9347 57 G 4.0231 9.3012 113.2446 45.1613 0.0000 173.9388 58 L 4.0447 7.2669 117.4367 53.8738 42.8805 177.3632 59 S 4.4755 9.1885 115.3633 57.3559 64.4702 175.0503 60 A 3.9113 8.3435 124.3179 55.2325 17.6709 179.4896 61 K 3.8040 8.1003 117.3656 59.6911 32.0213 178.6700 62 E 3.9075 7.9919 118.2919 59.3662 29.5854 178.4041 63 Q 3.8634 8.4773 119.8922 60.0525 28.9978 179.0015 64 R 3.8992 7.8324 118.8445 58.9915 29.8773 178.7579 65 I 3.6314 7.4431 119.8794 65.0610 37.4862 177.5107 66 L 3.9766 8.2075 121.7221 56.7541 41.8692 178.3900 67 A 3.8534 8.4302 120.4815 55.5318 18.3090 179.8763 68 K 3.9694 7.8959 115.7794 59.5893 32.3287 179.4652 69 T 4.0428 8.3921 110.5035 64.6899 68.8788 176.6364 70 I 3.6229 7.6561 122.3994 64.1751 37.0323 178.1541 71 K 3.8917 8.2513 116.9556 58.3951 32.0097 178.8303 72 R 4.1205 8.3364 119.1613 58.5126 30.5999 178.2840 73 A 4.0962 8.0755 119.9274 55.3022 18.0994 179.8666 74 R 4.5915 7.8476 118.0580 59.3230 29.9580 179.3165 75 I 3.8891 7.7762 118.1779 64.2304 37.2099 177.3990 76 L 4.1430 7.9429 118.2253 55.3736 41.8511 176.5240 77 G 3.8455 8.2274 106.7481 47.1030 0.0000 174.5161 78 L 4.5607 8.6659 119.9263 55.0570 44.1483 177.5383 79 L 4.7781 7.5107 118.2818 51.7762 43.6003 174.1248 80 P 4.7961 0.0000 0.0000 62.8419 31.9540 176.6760 81 F 4.2348 9.1508 119.9698 60.8433 39.2620 175.1456 82 T 4.7702 7.5870 113.8564 63.3627 72.3243 172.4686 83 E 4.8090 9.3897 121.5102 55.3462 34.1375 174.9713 84 K 4.5670 8.3287 121.0730 54.5547 34.1819 175.8438 85 L 3.6436 8.3881 125.4668 55.1349 42.3814 176.5243 86 V 3.8248 8.6018 125.8127 62.5513 32.7659 176.9989 87 R 3.3726 7.9356 117.2935 56.8589 28.0005 175.8675 88 K 4.0410 8.2552 125.4246 56.8280 31.9961 174.9169 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 19 K 8.31 4.06 0.00 1.71 1.86 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 20 A 8.05 3.73 1.43 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 0.00 0.00 0.00 21 K 7.86 4.17 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.36 7.81 22 V 8.16 3.66 1.85 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 0.13 0.00 0.00 0.91 0.00 0.00 23 K 8.21 3.86 0.00 1.91 1.86 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.46 7.81 24 A 7.10 4.67 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.43 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 1.13 0.00 0.00 26 L 7.31 4.80 0.00 1.22 1.23 1.21 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.18 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.56 4.09 0.00 1.95 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 2.38 2.38 0.00 29 F 8.43 4.80 0.00 3.10 2.89 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 0.00 0.00 0.00 30 D 8.24 4.61 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.85 0.00 1.39 1.05 0.86 0.50 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 32 R 8.47 4.38 0.00 1.61 2.02 0.00 3.29 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 33 D 7.31 4.55 0.00 2.86 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.77 0.00 3.05 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 35 R 7.87 4.36 0.00 1.72 1.85 0.00 3.17 0.00 0.00 2.80 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.28 0.00 36 N 7.79 4.67 0.00 3.10 3.00 0.00 0.00 6.11 7.68 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 37 V 8.11 3.63 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 0.85 0.00 0.00 0.96 0.00 0.00 38 E 8.03 4.09 0.00 1.97 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 2.38 0.00 39 V 7.81 3.84 2.51 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 1.38 0.00 0.00 1.02 0.00 0.00 40 L 8.04 4.10 0.00 1.81 1.76 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.12 3.99 0.00 2.04 2.09 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.56 7.81 42 R 7.79 3.99 0.00 1.83 2.14 0.00 3.24 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 43 F 8.83 4.66 0.00 3.25 3.08 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 44 L 7.78 4.74 0.00 1.70 1.73 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.95 4.39 0.00 3.96 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 46 E 8.74 3.99 0.00 1.99 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 2.29 0.00 47 T 7.99 4.00 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 1.26 0.00 0.00 48 G 7.66 4.15 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 0.00 0.00 0.00 49 K 8.12 4.39 0.00 1.78 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.43 7.81 50 I 8.19 4.11 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.89 0.00 0.00 51 L 8.24 4.53 0.00 1.70 1.66 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.53 0.00 2.19 2.10 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 53 R 8.56 4.01 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 54 R 7.55 3.75 0.00 1.92 1.85 0.00 3.20 0.00 0.00 3.35 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 55 R 8.10 4.05 0.00 1.85 1.99 0.00 3.26 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 56 T 7.19 4.23 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 57 G 9.30 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 0.00 0.00 0.00 58 L 7.27 4.04 0.00 1.74 1.70 1.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.19 4.48 0.00 3.90 3.97 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 60 A 8.34 3.91 1.32 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 0.00 0.00 0.00 61 K 8.10 3.80 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 62 E 7.99 3.91 0.00 2.32 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 0.00 2.41 2.37 0.00 63 Q 8.48 3.86 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 64 R 7.83 3.90 0.00 1.81 1.87 0.00 3.19 0.00 0.00 3.15 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 65 I 7.44 3.63 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.88 0.00 0.00 66 L 8.21 3.98 0.00 1.43 1.55 0.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.43 3.85 1.34 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 0.00 0.00 68 K 7.90 3.97 0.00 1.67 1.83 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 T 8.39 4.04 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 70 I 7.66 3.62 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.75 0.87 0.00 0.00 71 K 8.25 3.89 0.00 1.75 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 72 R 8.34 4.12 0.00 1.94 1.76 0.00 3.04 0.00 0.00 2.74 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 73 A 8.08 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.59 0.00 1.84 1.74 0.00 2.82 0.00 0.00 2.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 75 I 7.78 3.89 1.89 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 1.43 0.78 0.95 0.00 0.00 76 L 7.94 4.14 0.00 1.88 1.79 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.23 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 0.00 0.00 0.00 78 L 8.67 4.56 0.00 1.76 1.74 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.51 4.78 0.00 1.71 1.58 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.80 0.00 2.40 2.12 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 81 F 9.15 4.23 0.00 2.93 3.21 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 0.00 82 T 7.59 4.77 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 1.29 0.00 0.00 83 E 9.39 4.81 0.00 2.04 1.81 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 2.28 2.33 0.00 84 K 8.33 4.57 0.00 1.62 1.73 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.35 7.81 85 L 8.39 3.64 0.00 1.59 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.60 3.82 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 0.89 0.00 0.00 0.94 0.00 0.00 87 R 7.94 3.37 0.00 2.03 2.27 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 88 K 8.26 4.04 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81