NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4794 8.3349 115.4125 58.2951 63.5523 171.5869 2 T 4.3641 7.5501 121.1963 61.5930 72.2708 172.7154 3 A 4.1735 9.3092 130.6680 51.7822 20.0930 176.9120 4 L 4.1768 8.2725 120.5918 54.5777 42.5097 176.4792 5 A 4.5637 8.0798 123.4286 50.0556 20.4873 177.2494 6 K 3.8407 8.5936 123.3043 56.2213 32.4285 175.1017 7 P 4.6136 0.0000 0.0000 61.1518 33.0601 174.8228 8 Q 4.1422 8.4014 119.7662 56.3008 29.0482 175.0955 9 M 4.6786 8.6630 123.1427 54.8379 34.1675 175.6549 10 R 4.6108 7.9508 117.1726 55.1460 32.9508 175.3427 11 G 3.9932 8.6261 106.9449 46.9491 0.0000 176.3017 12 L 4.0309 7.9712 121.6098 57.3171 41.7270 178.5685 13 L 4.0007 7.8884 119.7039 57.8400 42.1127 178.6525 14 A 4.0096 7.9255 120.3446 55.1929 18.5243 179.3825 15 R 3.9023 8.3966 117.0909 59.5622 30.1806 179.2028 16 R 4.0634 7.7973 118.2069 59.3292 30.0633 178.2984 17 L 3.9514 7.9899 120.0032 58.3894 41.9611 178.8258 18 R 3.9989 7.9700 116.6541 59.4505 29.8069 178.5737 19 F 4.5957 8.2896 119.8164 62.0069 39.5501 177.0927 20 H 3.9084 8.3429 115.5988 58.1646 28.3745 177.5209 21 I 3.6967 8.1966 121.3891 64.1957 37.7451 177.8851 22 V 3.8457 7.4951 119.5029 66.1789 31.3695 178.2014 23 G 3.7202 7.8937 104.0678 46.8862 0.0000 175.5514 24 A 3.9288 7.8688 123.5495 55.2547 18.4461 179.6846 25 F 4.1166 8.2903 117.7787 60.1368 38.9345 177.5010 26 M 4.0499 8.5590 118.3325 58.7153 32.1905 178.4592 27 V 3.6126 7.8167 118.4241 66.1688 31.4861 178.2236 28 S 4.4342 8.4329 113.9115 61.2978 62.7538 176.3207 29 L 4.3479 8.2865 123.1572 57.5677 41.3394 178.8171 30 G 3.6556 8.0112 105.3590 47.8607 0.0000 175.2219 31 F 4.0788 8.2461 119.6984 60.0435 39.1757 177.8967 32 A 4.1606 8.0068 119.4999 55.6066 18.1795 179.7372 33 T 4.1491 8.6401 108.3566 64.3828 69.1143 176.8815 34 F 4.2227 9.1586 124.3245 61.3682 39.3453 176.4497 35 Y 3.9207 8.4900 119.1708 60.4646 38.5709 177.4752 36 K 3.6186 8.0413 120.6864 59.5217 31.7072 178.1867 37 F 4.1468 8.1442 116.8802 59.9431 39.2656 178.0897 38 A 3.5363 7.8503 119.0069 54.1303 18.2219 177.9002 39 V 3.7892 7.5732 114.5960 64.0543 33.3024 177.1498 40 A 3.8212 7.0847 121.0066 54.7396 18.1680 178.8230 41 E 3.8025 8.3696 116.1369 59.4264 29.7130 179.5989 42 K 3.7947 7.3988 118.9157 59.9148 32.0598 178.7097 43 R 4.0341 7.8485 117.9553 58.9845 30.0732 178.3020 44 K 3.9808 8.1428 119.9875 59.1067 32.1511 178.6964 45 K 4.0706 8.3395 119.7843 59.0229 32.1878 178.2988 46 A 3.9592 8.3320 121.5849 55.8558 18.3062 179.3212 47 Y 3.8087 8.0400 114.6213 60.8766 37.6835 178.6528 48 A 4.1201 7.6143 119.9421 55.3872 18.8954 178.9054 49 D 4.5313 8.6947 117.5674 58.0437 40.7428 178.4404 50 F 3.9829 8.1708 119.2992 61.9858 39.3520 176.0453 51 Y 4.4329 8.2027 114.3517 58.8704 37.7242 177.7737 52 R 4.1734 7.8744 121.1362 58.8045 30.9385 177.6422 53 N 5.0880 7.8914 113.2334 52.6069 39.5948 174.0253 54 Y 4.1395 7.8244 119.0919 56.9663 40.2232 173.3069 55 D 4.6531 7.5064 125.1494 51.7655 43.2263 176.2885 56 S 4.0512 7.9312 124.8767 60.8607 62.9885 175.9725 57 M 4.1042 7.9678 121.4734 58.1695 32.0921 177.8729 58 K 3.8679 8.1516 119.8228 59.5613 32.5462 177.9501 59 D 4.5195 8.0203 118.3034 57.5044 41.0490 178.1458 60 F 4.4543 8.4968 120.9859 61.5074 39.4436 176.5923 61 E 3.5172 8.4748 118.4741 59.5252 29.3301 179.1734 62 E 3.8759 8.1470 118.1729 59.8526 29.0333 179.4981 63 M 3.8615 7.7926 117.9769 58.1873 31.9953 178.6399 64 R 3.8819 8.1228 119.0011 59.6267 30.0057 178.7887 65 K 3.9563 8.3080 116.5923 59.1671 32.0809 178.7446 66 A 4.1455 7.6494 119.6412 52.8043 18.3219 178.4145 67 G 3.8618 7.6759 105.4208 45.5115 0.0000 174.8493 68 I 3.7225 7.0847 113.9227 63.3849 37.7484 177.1587 69 F 4.7535 7.4176 118.1432 57.3878 39.2843 174.8541 70 Q 4.6844 8.8949 119.2229 56.0877 29.1848 175.9558 71 S 4.6200 7.8702 111.0949 57.7562 63.5173 174.3495 72 A 4.4310 7.5352 119.8737 52.3197 19.7161 176.9781 73 K 4.2377 8.5778 119.7350 57.1668 32.2811 177.4198 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 S 8.33 4.48 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 2 T 7.55 4.36 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 3 A 9.31 4.17 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 4 L 8.27 4.18 0.00 1.65 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.08 4.56 1.22 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 0.00 0.00 0.00 6 K 8.59 3.84 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 P 0.00 4.61 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 Q 8.40 4.14 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.66 4.68 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 10 R 7.95 4.61 0.00 1.77 1.82 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.63 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 0.00 0.00 0.00 12 L 7.97 4.03 0.00 1.71 1.74 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.89 4.00 0.00 1.77 1.67 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 4.01 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 15 R 8.40 3.90 0.00 2.14 2.05 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 16 R 7.80 4.06 0.00 2.04 2.15 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 17 L 7.99 3.95 0.00 1.85 1.83 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.97 4.00 0.00 2.05 2.08 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 19 F 8.29 4.60 0.00 3.10 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 3.91 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.20 3.70 2.12 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 1.60 1.60 1.11 0.00 0.00 22 V 7.50 3.85 2.29 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 1.03 0.00 0.00 0.98 0.00 0.00 23 G 7.89 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 0.00 0.00 0.00 24 A 7.87 3.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.29 4.12 0.00 3.28 3.12 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 26 M 8.56 4.05 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 27 V 7.82 3.61 2.27 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 1.35 0.00 0.00 1.00 0.00 0.00 28 S 8.43 4.43 0.00 4.10 4.09 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 0.00 0.00 0.00 0.00 29 L 8.29 4.35 0.00 1.98 1.85 1.01 0.94 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 30 G 8.01 3.66 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 0.00 31 F 8.25 4.08 0.00 3.17 3.23 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 32 A 8.01 4.16 1.51 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 0.00 0.00 0.00 33 T 8.64 4.15 4.58 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 1.42 0.00 0.00 34 F 9.16 4.22 0.00 3.16 3.35 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 0.00 35 Y 8.49 3.92 0.00 3.30 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 36 K 8.04 3.62 0.00 1.97 1.64 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.57 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.17 1.40 7.81 37 F 8.14 4.15 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.85 3.54 0.30 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 0.00 0.00 0.00 39 V 7.57 3.79 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 0.43 0.00 0.00 0.69 0.00 0.00 40 A 7.08 3.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.37 3.80 0.00 2.08 2.06 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 2.40 2.42 0.00 42 K 7.40 3.79 0.00 1.73 1.86 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 43 R 7.85 4.03 0.00 1.98 2.16 0.00 3.13 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 44 K 8.14 3.98 0.00 2.07 1.80 0.00 1.52 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 45 K 8.34 4.07 0.00 1.90 1.98 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.48 7.81 46 A 8.33 3.96 1.31 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 0.00 0.00 0.00 47 Y 8.04 3.81 0.00 3.08 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 48 A 7.61 4.12 1.48 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 49 D 8.69 4.53 0.00 2.95 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 50 F 8.17 3.98 0.00 2.82 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 51 Y 8.20 4.43 0.00 3.20 3.07 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 52 R 7.87 4.17 0.00 2.12 2.05 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 53 N 7.89 5.09 0.00 2.66 2.73 0.00 0.00 6.83 7.46 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 54 Y 7.82 4.14 0.00 2.87 2.88 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 55 D 7.51 4.65 0.00 2.54 2.28 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 56 S 7.93 4.05 0.00 4.21 4.32 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 57 M 7.97 4.10 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 58 K 8.15 3.87 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.41 7.81 59 D 8.02 4.52 0.00 2.91 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 60 F 8.50 4.45 0.00 3.25 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.52 0.00 2.13 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 2.62 2.55 0.00 62 E 8.15 3.88 0.00 2.15 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 2.30 2.62 0.00 63 M 7.79 3.86 0.00 1.62 2.34 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.47 0.00 64 R 8.12 3.88 0.00 1.06 1.76 0.00 3.18 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 65 K 8.31 3.96 0.00 1.86 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 66 A 7.65 4.15 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 67 G 7.68 3.86 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 0.00 0.00 0.00 68 I 7.08 3.72 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.74 0.00 0.00 69 F 7.42 4.75 0.00 3.32 3.07 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 70 Q 8.89 4.68 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 S 7.87 4.62 0.00 3.95 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 72 A 7.54 4.43 1.42 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 0.00 0.00 0.00 73 K 8.58 4.24 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.48 7.81