NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4412 8.1627 118.3251 55.3514 33.6196 173.2174 2 Q 4.8826 8.2170 120.2711 52.7048 31.2796 172.6423 3 I 4.5986 9.1707 119.6838 59.0882 42.2719 173.3742 4 F 5.3596 8.7771 121.2327 55.8450 41.9494 175.1409 5 V 4.8779 9.0947 122.0186 61.0878 34.3118 173.9701 6 K 5.1472 9.1008 129.8925 54.9420 34.7788 175.6170 7 T 5.0325 8.6133 117.4801 59.3522 71.0654 175.6639 8 L 4.0363 8.6556 121.2135 57.2166 41.8106 178.2382 9 T 4.3083 7.7331 107.5370 61.0728 68.7657 176.4359 10 G 3.8412 8.2796 109.4602 45.6745 0.0000 174.1432 11 K 4.1770 7.5137 122.0537 56.6016 33.3608 175.6467 12 T 5.2087 8.5442 123.4943 61.7163 71.1591 173.3272 13 I 4.6917 9.0526 119.5863 59.4636 41.2034 174.2449 14 T 5.1113 8.4548 119.1205 61.9708 70.5641 174.0616 15 L 4.7933 8.7093 125.1312 52.8557 45.7814 174.9906 16 E 4.7876 8.7297 123.9347 55.3333 30.8251 175.2478 17 V 4.6722 8.7285 119.2845 60.2300 36.6442 173.8616 18 E 4.7277 9.3395 120.5170 53.9998 32.1256 176.2922 19 P 4.1656 0.0000 0.0000 65.5007 31.5648 178.0881 20 S 4.4834 7.8645 109.9055 58.5143 63.8584 174.0985 21 D 4.5724 8.0330 123.4030 54.6785 41.2973 176.2499 22 T 4.7014 8.7488 114.2041 61.2191 71.1977 176.1413 23 I 3.7173 8.5127 123.1809 64.3722 37.0578 178.3167 24 E 3.9160 8.4432 120.6340 59.5212 29.3471 178.7058 25 N 4.3172 8.1077 116.3293 56.3634 38.5217 177.5661 26 V 3.5616 7.9588 119.6158 65.9198 31.5181 178.2416 27 K 4.3640 8.6185 119.5920 58.9193 31.7800 179.2218 28 A 3.9865 8.0173 121.0768 55.0442 18.2657 179.8621 29 K 3.9252 8.2789 117.3018 59.5630 32.0591 179.6493 30 I 3.6973 8.1480 120.6096 64.2383 36.9144 178.0492 31 Q 4.2207 8.1956 121.9228 58.8652 28.6492 178.3130 32 D 4.3189 8.1774 118.6889 57.0586 40.8937 178.1467 33 K 4.2192 7.9134 118.7917 57.9064 32.6085 177.5020 34 E 4.6410 8.6773 116.1768 55.0555 31.3696 177.1482 35 G 3.9237 8.2859 106.9146 45.1971 0.0000 173.4501 36 I 4.0199 7.3837 121.6104 59.6816 37.9134 173.6926 37 P 4.4651 0.0000 0.0000 61.9052 32.0959 175.3394 38 P 4.2228 0.0000 0.0000 65.8652 31.3432 178.0706 39 D 4.4770 8.0683 115.2527 55.3860 39.5102 176.6994 40 Q 4.3432 8.2671 118.7076 56.3212 29.5920 174.8196 41 Q 4.7554 7.9436 118.6004 54.7224 30.7742 174.9530 42 R 4.8197 8.5025 121.9165 54.3189 33.9957 174.3042 43 L 5.2103 8.5270 122.6804 53.0210 44.6741 175.2421 44 I 5.0748 8.7482 124.3837 59.6184 40.5080 174.5128 45 F 5.0681 8.9752 127.1792 57.2628 43.1986 174.0125 46 A 3.4554 8.7056 127.6722 53.3044 15.8264 177.5774 47 G 3.9341 8.2196 104.2809 46.6724 0.0000 173.8381 48 K 4.6095 7.7224 118.3159 53.9127 35.4257 175.1729 49 Q 4.6111 8.5192 123.9784 55.9094 29.5712 175.5406 50 L 4.0914 8.7115 127.3474 54.6137 42.6498 176.3453 51 E 4.4870 9.4451 122.5859 55.3388 30.8135 177.3963 52 D 4.4538 9.0730 123.5484 57.5273 41.1179 178.9115 53 G 3.6402 8.0159 105.8360 47.0499 0.0000 173.7448 54 R 4.3409 7.7009 119.6797 55.1860 31.4100 175.6818 55 T 4.9204 7.7426 109.1806 60.3155 70.8866 175.8334 56 L 4.0407 8.5683 123.1413 58.1433 41.5288 180.1248 57 S 4.0791 8.1823 114.1000 61.5521 62.5762 175.9667 58 D 4.2332 7.9249 120.6830 56.7231 40.9275 176.9345 59 Y 4.6751 7.2780 113.8587 56.8114 38.3854 175.0540 60 N 4.2397 8.0609 116.3197 54.3332 36.6551 174.1028 61 I 3.8537 7.7699 119.4030 60.1646 38.0238 175.4028 62 Q 4.6769 8.2608 124.4696 53.2401 32.2390 174.3326 63 K 4.0355 8.4858 119.2263 58.6333 32.2569 176.5160 64 E 3.5715 9.2874 124.0774 56.9202 27.8172 174.7405 65 S 4.6070 8.0163 115.7757 59.1185 64.3566 173.1566 66 T 5.2182 8.7038 117.8074 62.0708 70.6627 173.8250 67 L 4.9034 9.1721 126.4398 53.5913 44.8642 175.0420 68 H 5.2164 8.9670 118.5963 54.0730 31.1494 173.0664 69 L 4.8381 9.0149 126.7966 53.8495 43.6782 175.2544 70 V 4.4866 8.7918 126.7969 60.8370 33.7430 174.7803 71 L 4.5131 8.5318 128.0756 54.5196 42.3606 177.5935 72 R 4.1553 8.5376 121.4831 56.2472 30.6990 176.8982 73 L 4.2663 8.5226 122.1184 54.3824 42.6456 177.4378 74 R 3.8656 8.5145 121.9936 59.6569 30.2719 176.8182 75 G 4.0356 8.0842 109.2289 45.7412 0.0000 172.9650 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 M 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 Q 8.22 4.88 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 3 I 9.17 4.60 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.83 0.00 0.00 4 F 8.78 5.36 0.00 3.09 2.95 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 5 V 9.09 4.88 2.11 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 0.92 0.00 0.00 0.93 0.00 0.00 6 K 9.10 5.15 0.00 1.82 1.58 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 7 T 8.61 5.03 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 1.23 0.00 0.00 8 L 8.66 4.04 0.00 1.67 1.78 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.73 4.31 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 10 G 8.28 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 11 K 7.51 4.18 0.00 1.99 1.70 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.54 5.21 4.21 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 1.20 0.00 0.00 13 I 9.05 4.69 1.90 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 1.26 1.24 0.94 0.00 0.00 14 T 8.45 5.11 4.30 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 1.14 0.00 0.00 15 L 8.71 4.79 0.00 1.46 1.44 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.79 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 17 V 8.73 4.67 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.34 4.73 0.00 1.79 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 2.19 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.86 4.48 0.00 3.96 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 21 D 8.03 4.57 0.00 2.83 2.61 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 22 T 8.75 4.70 4.46 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 1.21 0.00 0.00 23 I 8.51 3.72 2.11 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 1.80 1.11 0.98 0.00 0.00 24 E 8.44 3.92 0.00 2.11 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 2.31 2.37 0.00 25 N 8.11 4.32 0.00 2.99 2.84 0.00 0.00 6.70 7.67 0.00 0.00 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 V 7.96 3.56 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 1.09 0.00 0.00 0.98 0.00 0.00 27 K 8.62 4.36 0.00 1.99 1.84 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.46 7.81 28 A 8.02 3.99 1.37 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 29 K 8.28 3.93 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 8.15 3.70 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 1.40 0.70 0.91 0.00 0.00 31 Q 8.20 4.22 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 D 8.18 4.32 0.00 2.82 2.72 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 33 K 7.91 4.22 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 34 E 8.68 4.64 0.00 2.02 1.94 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 2.23 2.43 0.00 35 G 8.29 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 36 I 7.38 4.02 1.87 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.30 1.98 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.07 4.48 0.00 2.76 2.81 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 40 Q 8.27 4.34 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 41 Q 7.94 4.76 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 42 R 8.50 4.82 0.00 1.83 1.78 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 43 L 8.53 5.21 0.00 1.54 1.53 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.75 5.07 1.92 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 1.12 0.58 0.91 0.00 0.00 45 F 8.98 5.07 0.00 2.96 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 46 A 8.71 3.46 1.03 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 0.00 0.00 0.00 0.00 0.00 47 G 8.22 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.72 4.61 0.00 1.79 1.67 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.35 7.81 49 Q 8.52 4.61 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.71 4.09 0.00 1.41 1.19 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.45 4.49 0.00 2.04 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 2.35 2.42 0.00 52 D 9.07 4.45 0.00 2.76 2.75 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 53 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.34 0.00 1.74 1.60 0.00 3.03 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 55 T 7.74 4.92 4.38 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 1.18 0.00 0.00 56 L 8.57 4.04 0.00 1.84 1.84 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.18 4.08 0.00 4.03 4.10 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 58 D 7.92 4.23 0.00 2.53 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 59 Y 7.28 4.68 0.00 3.07 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 60 N 8.06 4.24 0.00 3.05 3.03 0.00 0.00 6.89 6.97 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 61 I 7.77 3.85 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.02 0.53 0.00 0.00 62 Q 8.26 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 63 K 8.49 4.04 0.00 1.67 1.71 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.43 7.81 64 E 9.29 3.57 0.00 2.21 2.33 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 2.21 2.23 0.00 65 S 8.02 4.61 0.00 3.83 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 66 T 8.70 5.22 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 1.16 0.00 0.00 67 L 9.17 4.90 0.00 1.54 1.57 0.85 0.71 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 68 H 8.97 5.22 0.00 3.16 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 4.84 0.00 1.75 1.55 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.79 4.49 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 0.93 0.00 0.00 0.95 0.00 0.00 71 L 8.53 4.51 0.00 1.58 1.59 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.54 4.16 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 73 L 8.52 4.27 0.00 1.64 1.59 0.92 0.91 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 74 R 8.51 3.87 0.00 1.80 2.02 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 75 G 8.08 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