NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4381 8.1200 121.1848 56.4925 34.4646 177.2217 3 L 3.7575 8.0420 119.8455 57.6720 41.7728 177.4238 4 S 4.0849 8.8186 113.9317 61.3993 62.4075 175.0778 5 E 4.1550 8.0542 119.8785 58.4897 29.0835 179.1227 6 V 3.6823 7.6995 119.8756 65.5395 31.7120 177.6929 7 R 4.1027 8.0532 115.4349 59.5113 28.9069 178.5387 8 K 3.8975 7.8787 118.4176 59.5495 31.9800 179.1865 9 Q 4.0107 8.4595 118.4620 59.2259 28.6541 178.4708 10 L 4.2554 7.9705 119.5508 57.4030 41.5030 178.8982 11 E 3.9443 8.7676 119.0262 60.1069 29.5881 179.0063 12 E 3.9809 8.9740 118.6454 56.9015 28.8999 179.4515 13 A 3.7451 8.2194 125.7982 56.0372 19.4593 180.3977 14 R 3.3664 7.9582 108.7286 60.5465 30.9549 178.1918 15 K 4.4734 6.5379 123.0182 57.0964 31.4328 177.7812 16 L 4.6598 7.3371 112.8076 55.0634 43.5585 176.5372 17 S 3.6383 8.2354 116.0058 57.2022 62.9246 170.2605 18 P 4.4518 0.0000 0.0000 65.6903 31.1747 178.4577 19 V 3.8876 7.6511 119.8983 64.3486 31.2325 177.5557 20 E 3.9374 7.9275 119.0753 59.2708 29.4487 178.4464 21 L 4.0284 7.9202 118.8872 58.2948 41.4665 179.2265 22 E 3.8348 8.0497 117.1112 59.6013 29.5078 179.4077 23 K 3.9049 7.8431 117.4063 59.8502 32.0898 178.6785 24 L 4.5263 7.6221 121.2182 57.8012 42.0198 179.0069 25 V 3.9186 8.4487 118.2260 65.9360 31.4396 177.5669 26 R 3.8494 8.8278 119.3914 59.7139 30.0357 178.0644 27 E 3.8891 8.5548 118.2072 59.6143 29.4303 179.3819 28 K 3.8893 8.9599 119.4317 59.5446 31.9595 179.5833 29 K 3.9745 8.6107 119.1760 59.5059 32.1387 179.5599 30 R 3.9580 7.9583 116.2996 59.4226 29.1382 178.6355 31 E 4.0165 8.3451 119.3453 59.2637 29.3281 178.5371 32 L 3.9309 7.6702 120.5053 58.0923 42.0725 178.3021 33 M 4.0454 8.6114 118.2118 58.9056 32.1237 177.7670 34 E 3.8408 8.5295 119.4311 59.6759 29.6426 179.0909 35 L 4.0164 7.9942 118.4961 57.7262 41.6122 179.3934 36 R 4.0101 8.3821 118.5616 59.6173 30.2121 179.0852 37 F 4.2627 8.7900 118.6191 60.3000 38.7750 177.7108 38 Q 4.0764 8.1921 116.1562 59.0258 28.7940 178.6121 39 A 4.2662 8.9860 122.4970 54.1260 18.7485 179.7119 40 S 4.0420 8.1954 113.2365 61.4787 63.0830 176.1598 41 I 3.9000 7.6994 110.8954 60.2480 36.8228 175.7432 42 G 3.8364 7.8328 109.5383 45.7837 0.0000 172.3640 43 Q 3.8178 7.9784 132.0667 58.4966 28.9584 176.3587 44 L 4.4000 8.4426 124.6321 54.3793 39.0939 173.2901 45 S 5.0227 7.1493 118.8366 58.2295 64.9452 177.3030 46 Q 4.4499 7.5058 124.9047 56.0416 30.1633 179.2393 47 N 3.5834 8.8529 117.7288 52.9587 40.0176 176.3635 48 H 3.6466 9.4205 130.2106 59.4516 29.1612 176.3772 49 K 3.6477 7.8776 121.3993 59.9575 31.8720 178.6098 50 I 3.8299 8.8179 121.0825 64.2196 37.0034 178.5442 51 R 3.9359 7.9198 116.3017 59.6598 29.1006 178.2040 52 D 4.3434 8.9042 120.3683 57.0529 40.7311 178.5673 53 L 4.0188 7.6808 119.5923 58.1720 42.1576 179.0691 54 K 4.1751 8.0843 118.2886 59.5863 31.9922 179.0216 55 R 3.9362 8.3646 118.3821 59.3391 30.0763 178.8457 56 Q 3.9919 7.7255 117.9716 59.3189 28.7421 179.5840 57 I 3.6455 8.3088 120.3982 64.3830 37.0949 178.0090 58 A 3.9330 7.6045 121.3280 55.3862 18.3496 179.4936 59 R 4.0294 8.0413 116.2230 59.7634 30.1671 179.0283 60 L 4.0089 7.8327 118.1174 57.8003 41.5959 179.8117 61 L 3.9496 7.9286 118.6452 58.2922 41.4966 179.3938 62 T 3.8867 8.4139 115.4255 66.8750 68.6953 176.2370 63 V 4.4748 7.7780 120.6912 65.5843 31.8592 177.6250 64 L 3.8824 7.9793 120.3905 58.5858 41.8471 178.9155 65 N 4.4146 8.7114 116.4193 56.3679 38.4358 176.9317 66 E 3.9573 8.1265 120.0041 59.7213 29.3510 179.8840 67 K 3.9690 7.4424 115.8189 59.2999 32.4527 178.9225 68 R 3.7631 8.3334 115.4051 58.5970 29.6144 176.9835 69 R 4.0741 8.0274 117.5543 57.6816 30.3787 176.6179 70 Q 4.3294 8.5722 119.0447 56.3658 26.1526 173.5322 71 N 4.8660 7.7474 111.5599 53.5547 43.6867 174.0789 72 A 4.1858 8.3533 126.9701 52.3247 18.5357 177.1555 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 2 K 8.12 4.44 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 L 8.04 3.76 0.00 1.83 1.67 0.92 0.49 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 4 S 8.82 4.08 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.15 0.00 2.25 1.99 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 2.33 2.32 0.00 6 V 7.70 3.68 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 0.96 0.00 0.00 1.02 0.00 0.00 7 R 8.05 4.10 0.00 2.07 2.21 0.00 3.03 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 8 K 7.88 3.90 0.00 2.07 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.75 7.81 9 Q 8.46 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 10 L 7.97 4.26 0.00 1.84 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.77 3.94 0.00 1.88 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 2.60 2.49 0.00 12 E 8.97 3.98 0.00 2.39 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 2.37 2.47 0.00 13 A 8.22 3.75 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 14 R 7.96 3.37 0.00 1.99 1.82 0.00 3.33 0.00 0.00 3.27 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 15 K 6.54 4.47 0.00 1.67 1.87 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.74 7.81 16 L 7.34 4.66 0.00 1.75 1.63 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.24 3.64 0.00 3.97 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 18 P 0.00 4.45 0.00 2.30 2.26 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 19 V 7.65 3.89 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 1.27 0.00 0.00 0.93 0.00 0.00 20 E 7.93 3.94 0.00 2.10 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 2.38 2.40 0.00 21 L 7.92 4.03 0.00 2.02 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.05 3.83 0.00 2.13 1.99 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 2.41 2.70 0.00 23 K 7.84 3.90 0.00 1.98 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 24 L 7.62 4.53 0.00 1.72 1.86 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.45 3.92 2.19 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 0.94 0.00 0.00 0.96 0.00 0.00 26 R 8.83 3.85 0.00 1.96 2.09 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 27 E 8.55 3.89 0.00 2.21 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 2.61 0.00 28 K 8.96 3.89 0.00 1.85 1.89 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.65 7.81 29 K 8.61 3.97 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.59 7.81 30 R 7.96 3.96 0.00 2.01 2.18 0.00 2.75 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 31 E 8.35 4.02 0.00 2.19 2.04 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 2.32 2.44 0.00 32 L 7.67 3.93 0.00 1.82 1.71 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.61 4.05 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.84 0.00 34 E 8.53 3.84 0.00 2.25 2.17 0.00 0.00 0.00 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 2.41 0.00 35 L 7.99 4.02 0.00 1.86 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.38 4.01 0.00 2.23 2.02 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 37 F 8.79 4.26 0.00 3.21 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 38 Q 8.19 4.08 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 39 A 8.99 4.27 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 40 S 8.20 4.04 0.00 3.86 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.90 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 1.49 0.70 1.00 0.00 0.00 42 G 7.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.82 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 44 L 8.44 4.40 0.00 1.75 2.01 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.15 5.02 0.00 3.87 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 46 Q 7.51 4.45 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.77 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 47 N 8.85 3.58 0.00 2.90 2.94 0.00 0.00 6.70 8.16 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 48 H 9.42 3.65 0.00 3.36 3.58 0.00 5.50 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.88 3.65 0.00 1.77 1.89 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.61 7.81 50 I 8.82 3.83 2.04 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 1.59 0.66 0.92 0.00 0.00 51 R 7.92 3.94 0.00 2.04 2.21 0.00 3.01 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 52 D 8.90 4.34 0.00 3.10 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 53 L 7.68 4.02 0.00 2.05 1.64 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.08 4.18 0.00 2.05 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 55 R 8.36 3.94 0.00 1.85 1.98 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 56 Q 7.73 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 57 I 8.31 3.65 2.15 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.99 0.91 0.00 0.00 58 A 7.60 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.03 0.00 2.09 2.03 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 60 L 7.83 4.01 0.00 1.86 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.93 3.95 0.00 1.85 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.41 3.89 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 1.21 0.00 0.00 63 V 7.78 4.47 2.26 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 1.16 0.00 0.00 1.08 0.00 0.00 64 L 7.98 3.88 0.00 1.87 1.84 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.71 4.41 0.00 2.98 2.85 0.00 0.00 7.02 7.61 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 66 E 8.13 3.96 0.00 2.10 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 2.34 2.71 0.00 67 K 7.44 3.97 0.00 2.01 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.63 7.81 68 R 8.33 3.76 0.00 1.97 1.78 0.00 3.30 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 69 R 8.03 4.07 0.00 1.91 1.97 0.00 3.01 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 70 Q 8.57 4.33 0.00 2.25 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 71 N 7.75 4.87 0.00 3.01 2.82 0.00 0.00 6.95 7.35 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 72 A 8.35 4.19 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