NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 R 4.3075 8.2393 119.7013 55.0930 30.9234 175.1621 26 P 4.0937 0.0000 0.0000 61.8576 31.6906 174.0459 27 L 4.4223 8.1224 122.5217 53.7880 43.4359 176.8278 28 R 4.5461 8.7342 122.2096 54.5820 32.6197 174.1880 29 V 3.7927 8.1181 117.8246 64.7271 31.5773 175.8058 30 G 4.0368 9.1448 116.3280 45.1758 0.0000 174.0510 31 S 4.3031 8.1216 116.6253 58.8206 64.2519 173.6014 32 R 4.8302 8.5516 122.5878 55.4487 31.5667 175.9333 33 V 5.1365 8.9314 116.6160 59.5280 36.8620 174.0282 34 E 5.1346 8.7279 119.5324 54.4090 32.7370 175.3681 35 V 4.0497 8.6263 123.4302 62.4857 32.6674 175.3472 36 I 3.9238 8.4825 129.8112 62.9816 37.5222 177.5437 37 G 4.0916 9.3020 114.7473 45.2124 0.0000 173.9544 38 K 4.1806 7.7571 115.7813 56.7228 33.8873 177.7616 39 G 3.9544 8.4770 105.6578 44.9787 0.0000 173.2250 40 H 4.3461 7.8335 117.6929 56.3991 29.7096 174.7317 41 R 4.9154 8.6088 121.7723 55.5427 32.6647 175.7060 42 G 4.3480 8.7193 107.9722 46.2880 0.0000 171.4624 43 T 5.0956 8.3801 116.0932 61.2228 71.6868 174.4692 44 V 3.9723 8.8291 127.1249 63.2238 32.1125 175.9221 45 A 4.7575 8.6362 128.6055 51.9263 20.8103 175.4035 46 Y 4.6654 7.3162 114.7167 56.4709 42.5003 173.3179 47 V 4.7805 8.4421 125.3565 60.6291 34.5254 175.3991 48 G 3.9244 8.4938 115.6135 44.6317 0.0000 171.3197 49 A 4.7798 8.0578 122.7279 52.3346 18.9337 176.4531 50 T 4.7952 7.7773 108.6337 59.9814 71.8618 173.9250 51 L 4.2071 8.5991 121.1590 56.4221 41.8667 178.5865 52 F 4.4845 6.6887 111.5327 58.2827 38.3652 175.3525 53 A 4.4187 6.5944 120.8983 51.5445 21.3304 175.8060 54 T 4.1536 8.4913 111.3185 61.5401 69.9289 174.7198 55 G 3.8112 8.5784 107.3579 44.5299 0.0000 172.5596 56 K 4.2892 7.8489 119.9361 55.6941 32.8703 175.9109 57 W 5.1364 9.2727 126.4567 54.8798 33.5170 174.4793 58 V 4.9766 9.4743 122.0465 61.3067 34.0095 174.5102 59 G 3.7264 9.4483 116.2929 45.0242 0.0000 172.4995 60 V 4.6204 8.4287 124.3507 60.8903 35.2967 174.4175 61 I 4.5802 8.3154 128.6293 59.7562 38.0978 175.3021 62 L 4.5444 8.9012 128.1014 54.5065 41.9558 177.7794 63 D 4.4510 9.0105 122.6577 57.3662 40.9648 177.2818 64 E 4.4500 7.7827 115.9206 54.9287 31.5392 176.4799 65 A 3.9637 8.0631 124.1261 51.9131 16.9543 177.9938 66 K 4.5076 7.5576 115.3850 55.7039 33.5804 177.3863 67 G 4.3578 8.4703 110.0562 45.0983 0.0000 173.8647 68 K 4.8656 8.9377 117.3774 55.8471 34.5658 175.5362 69 N 5.0672 7.8948 116.7445 51.3751 41.2599 174.3154 70 D 5.0068 8.7363 116.5019 53.5516 40.3355 177.6560 71 G 3.0718 8.1915 109.0764 46.4643 0.0000 173.8870 72 T 4.9334 7.6156 115.7813 61.6353 70.5622 174.1516 73 V 4.2510 8.4258 124.6028 62.3576 34.3664 175.4295 74 Q 3.5318 9.8662 126.5270 57.0895 26.1574 174.9356 75 G 3.9130 8.3755 104.4252 45.2381 0.0000 173.4915 76 R 4.2874 7.7947 120.6783 54.0084 31.6665 174.5222 77 K 4.4394 8.2460 126.4330 55.7249 32.8399 175.3451 78 Y 4.3031 8.5172 124.5417 59.3169 39.3224 175.1746 79 F 4.9758 7.2411 112.4119 56.3568 40.5389 172.1187 80 T 5.1951 8.4860 116.5879 62.1354 71.2585 173.4361 81 C 4.7430 8.3852 119.8792 57.1625 33.4567 173.3170 82 D 4.5588 8.5439 118.6949 53.8412 41.5546 176.1650 83 E 3.9824 8.8116 122.4078 58.0636 30.0892 177.4828 84 G 3.9483 9.5728 112.5584 46.1650 0.0000 174.1355 85 H 4.1191 8.1708 115.9568 55.6055 31.3839 174.5877 86 G 4.6080 8.4307 106.9743 45.3040 0.0000 173.1054 87 I 5.1566 8.6713 115.6682 59.1124 41.6976 173.6887 88 F 5.3954 8.8359 121.6124 56.0953 41.5494 174.8744 89 V 5.0479 9.3157 115.8798 59.7412 36.8279 175.0718 90 R 4.2553 9.1726 120.5477 55.5465 30.7544 178.0760 91 Q 3.9754 8.5797 121.7503 59.2977 29.1440 178.2484 92 S 4.3679 7.9472 109.6751 59.6358 63.5294 174.2784 93 Q 4.4646 8.2181 120.5930 55.9178 28.9712 174.6506 94 I 5.3514 7.3824 111.4032 59.1157 41.2072 174.7694 95 Q 4.6240 8.7110 120.2012 54.4821 32.0875 175.2512 96 V 4.4036 8.4452 115.1680 60.4486 33.1316 174.8594 97 F 3.9046 8.7589 120.3469 58.6874 37.5013 174.5018 98 E 4.0235 8.5049 121.5024 56.5741 28.9688 176.5858 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 25 R 8.24 4.31 0.00 1.78 1.99 0.00 3.21 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 1.53 1.69 0.00 26 P 0.00 4.09 0.00 2.25 2.05 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 27 L 8.12 4.42 0.00 1.62 1.74 0.93 0.90 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 28 R 8.73 4.55 0.00 1.94 1.98 0.00 2.83 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 29 V 8.12 3.79 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 0.80 0.00 0.00 0.90 0.00 0.00 30 G 9.14 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 31 S 8.12 4.30 0.00 3.84 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 32 R 8.55 4.83 0.00 1.74 1.96 0.00 3.21 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 33 V 8.93 5.14 2.14 0.00 0.00 0.00 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 0.92 0.00 0.00 34 E 8.73 5.13 0.00 2.00 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 0.00 2.32 2.21 0.00 35 V 8.63 4.05 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 0.96 0.00 0.00 0.99 0.00 0.00 36 I 8.48 3.92 1.88 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 1.17 1.09 0.91 0.00 0.00 37 G 9.30 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 0.00 0.00 0.00 38 K 7.76 4.18 0.00 1.57 1.41 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.40 7.81 39 G 8.48 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 40 H 7.83 4.35 0.00 3.11 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.61 4.92 0.00 1.74 1.87 0.00 3.13 0.00 0.00 3.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 42 G 8.72 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 0.00 0.00 0.00 0.00 43 T 8.38 5.10 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 1.18 0.00 0.00 44 V 8.83 3.97 2.22 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 0.83 0.00 0.00 0.94 0.00 0.00 45 A 8.64 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.32 4.67 0.00 3.23 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 47 V 8.44 4.78 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 0.83 0.00 0.00 0.90 0.00 0.00 48 G 8.49 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 49 A 8.06 4.78 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 50 T 7.78 4.80 3.01 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 0.00 0.00 0.49 0.00 0.00 51 L 8.60 4.21 0.00 1.72 1.78 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 F 6.69 4.48 0.00 3.00 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 53 A 6.59 4.42 1.46 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 0.00 0.00 0.00 54 T 8.49 4.15 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 1.24 0.00 0.00 55 G 8.58 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 0.00 0.00 0.00 56 K 7.85 4.29 0.00 1.72 1.59 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 57 W 9.27 5.14 0.00 3.59 3.48 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 58 V 9.47 4.98 2.20 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 1.13 0.00 0.00 1.00 0.00 0.00 59 G 9.45 3.73 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 0.00 60 V 8.43 4.62 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 0.97 0.00 0.00 0.88 0.00 0.00 61 I 8.32 4.58 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.19 0.96 0.00 0.00 62 L 8.90 4.54 0.00 1.68 1.60 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.01 4.45 0.00 2.65 2.73 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 64 E 7.78 4.45 0.00 1.87 1.79 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 2.24 2.28 0.00 65 A 8.06 3.96 1.10 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 0.00 0.00 66 K 7.56 4.51 0.00 1.60 1.72 0.00 1.59 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.20 7.81 67 G 8.47 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.87 0.00 1.55 1.75 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 69 N 7.89 5.07 0.00 2.76 2.84 0.00 0.00 5.77 8.07 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 70 D 8.74 5.01 0.00 2.86 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 71 G 8.19 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 0.00 0.00 0.00 72 T 7.62 4.93 4.29 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 1.20 0.00 0.00 73 V 8.43 4.25 2.10 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 0.55 0.00 0.00 0.73 0.00 0.00 74 Q 9.87 3.53 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 75 G 8.38 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 0.00 0.00 0.00 76 R 7.79 4.29 0.00 1.71 1.49 0.00 2.93 0.00 0.00 2.75 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.23 0.00 77 K 8.25 4.44 0.00 1.65 1.59 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 78 Y 8.52 4.30 0.00 3.37 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 79 F 7.24 4.98 0.00 3.30 3.24 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 80 T 8.49 5.20 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 1.23 0.00 0.00 81 C 8.39 4.74 0.00 2.96 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 82 D 8.54 4.56 0.00 2.54 2.63 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 0.00 83 E 8.81 3.98 0.00 1.90 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 2.29 2.39 0.00 84 G 9.57 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 85 H 8.17 4.12 0.00 3.30 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.43 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.67 5.16 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.94 0.00 0.00 88 F 8.84 5.40 0.00 2.70 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 89 V 9.32 5.05 2.34 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 0.88 0.00 0.00 1.11 0.00 0.00 90 R 9.17 4.26 0.00 1.80 1.69 0.00 3.02 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.52 0.00 91 Q 8.58 3.98 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 92 S 7.95 4.37 0.00 4.00 3.94 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 93 Q 8.22 4.46 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 94 I 7.38 5.35 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 1.31 0.78 0.97 0.00 0.00 95 Q 8.71 4.62 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 96 V 8.45 4.40 2.16 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 1.05 0.00 0.00 1.06 0.00 0.00 97 F 8.76 3.90 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 98 E 8.50 4.02 0.00 2.02 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 2.35 2.41 0.00