NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8373 8.2048 118.1469 55.3411 32.5768 174.4589 2 K 4.5724 8.2953 122.4479 51.9555 35.7693 174.1906 3 R 4.1186 8.6577 118.2117 56.7310 30.1636 175.4683 4 L 5.0137 8.8060 119.4673 55.0995 43.9566 176.8602 5 G 4.0458 7.0282 103.8596 44.6539 0.0000 170.0777 6 K 4.6245 7.6986 120.6762 55.6084 33.7393 176.2113 7 V 4.0251 8.7831 128.3972 63.0328 31.7209 176.5671 8 L 4.1186 9.0268 130.0896 57.8674 42.5912 176.5090 9 H 4.5699 7.3797 111.5256 55.9929 32.1976 171.9557 10 Y 5.3521 8.2247 118.4820 55.8499 40.6769 174.7560 11 A 4.3450 9.0641 130.9046 51.5631 19.1027 178.4230 12 K 3.9776 8.4135 121.4858 58.2390 32.3116 177.8831 13 Q 4.2289 8.7412 116.9483 56.5104 29.5107 174.2253 14 G 3.6495 6.2709 107.5047 46.1300 0.0000 173.2729 15 F 5.8108 7.8520 118.3512 54.3036 43.5645 174.4372 16 L 4.6911 8.7868 123.2528 54.7806 43.1162 175.9286 17 I 4.8817 8.6802 124.9291 59.9535 38.8747 174.3139 18 V 4.6159 8.2221 128.3656 61.2117 33.1113 174.6367 19 R 4.6078 8.2677 127.4845 55.7155 31.7413 174.8881 20 T 4.8902 8.0380 118.4214 60.5233 70.8382 173.7870 21 N 4.7770 9.1326 121.6717 52.8078 38.7477 174.7182 22 W 5.0397 8.0943 114.3621 54.2881 31.2855 174.7772 23 V 3.7453 8.0090 112.7793 59.5560 32.7436 173.6575 24 P 4.8666 0.0000 0.0000 61.1410 30.1294 177.8537 25 S 4.5101 7.9356 112.0785 57.2959 64.2860 175.3318 26 L 3.9870 8.4086 123.2848 56.4853 42.0620 176.2190 27 N 4.5414 8.3890 122.2374 53.8368 36.4775 173.8073 28 D 4.6818 7.6164 118.2750 54.0582 42.4967 176.0480 29 R 4.3868 8.8008 122.5784 56.3179 31.5305 175.4091 30 V 4.5866 8.3771 124.4086 61.2358 33.7391 174.9396 31 V 4.7483 9.0737 120.1577 59.7303 36.1040 173.6551 32 D 5.2532 8.3389 120.3717 52.3863 43.6573 177.4775 33 K 3.9569 9.0781 120.6909 58.4663 30.9827 177.2268 34 R 4.6266 7.2668 118.2925 56.2650 31.1784 175.0493 35 L 3.7300 8.2383 113.2807 55.8602 40.0152 175.4559 36 Q 4.3940 7.3757 117.5645 53.9804 28.6680 175.3786 37 F 4.0174 8.8900 125.3515 59.2902 39.7424 174.0583 38 V 3.7597 8.0556 128.0392 63.6522 32.5569 175.8777 39 G 4.0801 6.2444 105.3909 45.6726 0.0000 170.9042 40 I 5.2017 7.5077 111.8295 58.2151 40.8688 175.2243 41 V 4.5250 8.1474 122.1525 62.4029 32.9651 176.0738 42 K 4.5727 8.6539 120.5882 56.0053 34.9917 176.2767 43 D 4.6648 8.0705 118.2000 53.1664 44.4976 174.0412 44 V 5.6726 8.4916 125.2547 60.7048 34.1882 174.5638 45 F 4.6310 8.4335 117.2203 57.6660 40.6143 174.0809 46 G 3.8267 9.6161 108.3727 43.4404 0.0000 170.4382 47 P 4.0665 0.0000 0.0000 62.6414 30.8211 177.3602 48 V 3.6591 8.5512 123.7668 64.2423 31.1559 177.6242 49 K 4.0350 7.8845 119.2217 59.2154 32.7606 177.6574 50 M 4.6463 7.2262 124.5285 50.8119 32.0081 174.3875 51 P 4.4361 0.0000 0.0000 61.6580 34.8313 173.5146 52 Y 4.6990 7.4688 115.6568 56.7475 41.3016 175.0489 53 V 4.5694 8.4164 124.1477 61.5397 33.2970 174.1897 54 A 5.0941 9.5573 131.0042 50.8250 21.0570 175.4317 55 I 4.4097 9.1386 124.3237 59.3684 40.1554 174.9003 56 K 3.7392 7.9220 129.3736 53.9287 32.5302 174.2622 57 P 4.6488 0.0000 0.0000 62.6465 32.2659 176.3873 58 K 4.6072 8.2118 116.3769 55.8310 34.2840 177.1503 59 V 4.2253 7.6434 112.7205 59.9425 32.8385 176.2142 60 S 4.1331 8.7610 118.1043 61.2789 62.8232 174.2031 61 N 4.4957 8.0431 120.3419 52.1258 38.4929 172.0956 62 P 4.4880 0.0000 0.0000 64.9030 32.0288 177.5709 63 E 3.9477 7.6848 119.3392 56.8700 29.7405 178.0015 64 I 3.5506 6.8688 110.2531 63.9518 37.1258 176.4560 65 Y 4.9025 7.2084 116.7553 57.8784 38.2469 175.1481 66 V 3.7498 7.7669 119.7376 64.8575 31.4895 175.5124 67 G 3.8739 9.1088 117.0955 46.6746 0.0000 172.3668 68 E 4.7480 7.8199 116.4100 54.1160 34.1358 176.1915 69 V 4.5568 8.3099 122.1657 61.4824 31.7177 175.0036 70 L 4.5303 8.1209 127.5754 53.4077 41.9896 175.8117 71 Y 4.3385 8.5721 122.3888 57.8704 39.5190 176.0605 72 V 4.5624 8.5548 122.7324 59.8036 32.6842 174.5298 73 D 4.6301 8.5806 126.4110 53.9270 42.0436 176.0389 74 E 4.2228 8.7530 121.1872 56.7484 29.6047 176.6518 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 8.20 4.84 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 2 K 8.30 4.57 0.00 1.27 1.44 0.00 1.09 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.42 7.81 3 R 8.66 4.12 0.00 1.43 1.61 0.00 3.05 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 4 L 8.81 5.01 0.00 1.77 1.94 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.62 0.00 1.88 1.67 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.50 7.81 7 V 8.78 4.03 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 1.12 0.00 0.00 0.96 0.00 0.00 8 L 9.03 4.12 0.00 1.60 1.39 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.38 4.57 0.00 3.26 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.22 5.35 0.00 3.01 2.91 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 11 A 9.06 4.35 1.26 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 0.00 0.00 0.00 12 K 8.41 3.98 0.00 1.65 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 13 Q 8.74 4.23 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.80 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 14 G 6.27 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 5.81 0.00 2.89 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 16 L 8.79 4.69 0.00 1.66 1.63 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.68 4.88 1.97 0.00 0.00 1.05 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 0.87 1.03 0.00 0.00 18 V 8.22 4.62 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 0.89 0.00 0.00 0.93 0.00 0.00 19 R 8.27 4.61 0.00 1.97 1.70 0.00 3.07 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.57 0.00 20 T 8.04 4.89 4.08 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 0.99 0.00 0.00 21 N 9.13 4.78 0.00 2.89 2.95 0.00 0.00 5.83 8.88 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 22 W 8.09 5.04 0.00 3.34 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 23 V 8.01 3.75 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 0.65 0.00 0.00 0.90 0.00 0.00 24 P 0.00 4.87 0.00 2.00 1.21 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.10 0.00 25 S 7.94 4.51 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 26 L 8.41 3.99 0.00 1.65 1.65 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.39 4.54 0.00 2.84 3.03 0.00 0.00 7.10 7.94 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 28 D 7.62 4.68 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 4.39 0.00 2.04 2.34 0.00 3.34 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 30 V 8.38 4.59 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 0.78 0.00 0.00 0.89 0.00 0.00 31 V 9.07 4.75 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 0.80 0.00 0.00 1.05 0.00 0.00 32 D 8.34 5.25 0.00 2.90 2.58 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 0.00 33 K 9.08 3.96 0.00 1.86 1.96 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 2.07 1.66 7.81 34 R 7.27 4.63 0.00 1.87 1.85 0.00 3.34 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 35 L 8.24 3.73 0.00 1.71 1.76 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.38 4.39 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 37 F 8.89 4.02 0.00 3.00 3.02 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 38 V 8.06 3.76 1.78 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 0.11 0.00 0.00 0.65 0.00 0.00 39 G 6.24 4.08 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 0.00 0.00 0.00 40 I 7.51 5.20 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 1.13 1.35 1.11 0.00 0.00 41 V 8.15 4.53 2.25 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 1.13 0.00 0.00 0.98 0.00 0.00 42 K 8.65 4.57 0.00 2.08 1.93 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.83 7.81 43 D 8.07 4.66 0.00 2.59 2.32 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 44 V 8.49 5.67 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 0.62 0.00 0.00 0.87 0.00 0.00 45 F 8.43 4.63 0.00 3.11 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 0.00 46 G 9.62 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.07 0.00 2.14 2.22 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 48 V 8.55 3.66 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 0.75 0.00 0.00 0.92 0.00 0.00 49 K 7.88 4.03 0.00 1.85 1.93 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.37 7.81 50 M 7.23 4.65 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 51 P 0.00 4.44 0.00 1.84 1.83 0.00 3.40 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 52 Y 7.47 4.70 0.00 1.47 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 0.00 0.00 0.00 0.00 53 V 8.42 4.57 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 0.88 0.00 0.00 0.77 0.00 0.00 54 A 9.56 5.09 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 55 I 9.14 4.41 1.98 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 1.01 0.47 0.72 0.00 0.00 56 K 7.92 3.74 0.00 0.79 1.36 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.02 0.92 7.81 57 P 0.00 4.65 0.00 2.08 1.93 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 58 K 8.21 4.61 0.00 1.98 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.39 7.81 59 V 7.64 4.23 2.15 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 0.82 0.00 0.00 1.05 0.00 0.00 60 S 8.76 4.13 0.00 3.98 4.03 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 61 N 8.04 4.50 0.00 2.66 2.72 0.00 0.00 6.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.49 0.00 1.10 1.99 0.00 3.37 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 63 E 7.68 3.95 0.00 1.94 1.91 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 2.41 2.42 0.00 64 I 6.87 3.55 1.40 0.00 0.00 0.41 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 -0.36 0.76 0.00 0.00 65 Y 7.21 4.90 0.00 3.04 2.99 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 66 V 7.77 3.75 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 0.83 0.00 0.00 1.04 0.00 0.00 67 G 9.11 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 68 E 7.82 4.75 0.00 2.20 1.89 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 2.27 2.26 0.00 69 V 8.31 4.56 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 0.37 0.00 0.00 0.91 0.00 0.00 70 L 8.12 4.53 0.00 1.54 1.54 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.57 4.34 0.00 2.79 2.93 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 72 V 8.55 4.56 2.31 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 1.29 0.00 0.00 1.08 0.00 0.00 73 D 8.58 4.63 0.00 2.83 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 74 E 8.75 4.22 0.00 2.16 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 2.34 0.00