NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3601 8.3049 120.3509 55.4348 32.3733 174.5128 2 S 4.3971 8.5383 123.4270 56.9380 63.8731 172.3765 3 I 4.4685 9.0408 127.8585 60.0868 40.1061 174.5418 4 T 4.6248 8.4853 122.8567 61.6741 71.2547 173.3781 5 L 4.3251 8.4963 130.3549 53.9030 43.2201 175.3342 6 Y 4.7284 8.6667 125.6365 57.9994 38.4453 174.7321 7 T 4.7399 8.1629 121.1542 61.1283 70.9025 172.3569 8 K 4.7744 8.0868 118.9009 55.0457 34.6896 173.8030 9 P 4.3474 0.0000 0.0000 63.3777 32.0447 175.0953 10 A 3.6208 8.5171 118.7776 53.8197 15.8787 179.3349 11 C 4.8069 7.8396 119.5955 55.4954 45.9671 172.9886 12 V 3.5005 8.2508 128.7816 65.9947 31.3311 177.6911 13 Q 4.0683 8.0272 117.3694 58.7175 28.6650 179.1996 14 C 4.2891 8.0552 117.4793 60.3278 35.5836 175.9956 15 T 3.8007 7.7332 117.2336 66.5364 68.1301 176.7189 16 A 4.0376 8.1175 122.7420 55.3353 18.4210 179.8507 17 T 3.8625 7.6715 114.0329 66.4870 68.5958 177.3280 18 K 3.7595 7.9045 120.3440 59.2903 32.1639 179.6264 19 K 4.0466 8.0670 118.5009 59.2990 31.6548 179.3162 20 A 4.0814 7.9473 120.5772 54.6821 18.2632 179.6224 21 L 4.0111 7.7043 117.3917 57.8521 41.2760 179.1729 22 D 4.5127 8.1780 118.6233 57.0957 40.5085 178.7453 23 R 3.9211 7.7762 118.5892 58.9147 30.2197 177.0433 24 A 4.1257 7.6316 118.3944 52.3892 18.6653 177.8885 25 G 3.9188 7.6482 102.7788 45.9034 0.0000 173.5092 26 L 4.4263 7.8887 119.0240 53.1463 42.7231 176.3749 27 A 4.3876 8.4468 126.3023 51.6900 19.6165 175.8976 28 Y 5.0959 7.6249 119.0827 55.6256 41.9744 173.5707 29 N 4.8783 8.8525 118.4850 52.1161 41.3117 173.3997 30 T 4.7734 8.5047 123.0943 63.0273 70.2690 174.9051 31 V 4.1548 8.4617 124.7970 60.8207 34.1136 174.0586 32 D 4.7552 8.6271 128.9151 53.9732 41.0814 176.8447 33 I 4.0618 8.3587 121.3278 62.7706 38.1781 178.3275 34 S 4.0637 8.0408 115.5147 60.4523 63.0006 175.0101 35 L 4.3458 7.5024 118.9984 54.8305 42.4443 176.1719 36 D 4.8334 7.4250 117.8738 52.0466 43.1551 175.6882 37 D 4.3281 8.6199 127.1756 57.3686 41.4621 177.3124 38 E 3.9691 8.4087 119.2101 59.4347 29.6145 178.5214 39 A 4.2565 8.1276 120.5208 54.7465 18.4622 179.9216 40 R 3.9184 7.8086 117.1507 59.5025 30.2698 178.6246 41 D 4.3664 8.2798 117.8852 57.2525 41.0394 177.7654 42 Y 3.9337 7.9229 119.7388 60.7337 38.8418 177.7175 43 V 3.4583 7.7200 119.0883 66.3643 31.4647 177.6949 44 M 4.0405 8.1153 117.6159 58.4279 31.8502 178.0808 45 A 3.9910 7.6631 120.0048 54.5235 18.6264 178.7219 46 L 4.0628 7.1688 115.0666 55.0163 41.9196 177.6768 47 G 3.8495 7.3704 107.4517 45.6037 0.0000 173.3950 48 Y 4.6839 7.2405 115.4402 57.8446 38.2391 176.0033 49 V 4.2070 7.5687 119.8911 60.6522 32.9024 174.7164 50 Q 3.9428 8.8912 126.4094 56.5861 28.7881 176.6732 51 A 4.7653 8.2833 125.0662 49.3954 22.3285 173.3800 52 P 4.6779 0.0000 0.0000 62.2975 33.7973 174.8322 53 V 4.6071 8.0847 119.3829 61.1581 33.5934 174.6824 54 V 4.0034 7.7028 127.9798 61.3118 33.6880 174.7576 55 E 4.5224 8.1431 126.0593 54.6381 31.8162 174.5182 56 V 4.2593 8.1740 126.3116 62.1499 33.7851 175.1941 57 D 4.6888 10.0094 127.9005 55.3684 38.5179 173.2980 58 G 4.2641 8.4382 107.6656 45.6519 0.0000 174.5294 59 E 4.1523 7.7629 119.3807 56.6915 30.2594 174.8024 60 H 5.1177 8.1735 117.0644 54.9251 31.2794 172.1464 61 W 5.4521 8.1767 116.1075 55.6461 32.0775 172.9965 62 S 5.5795 7.9716 113.7976 56.4450 66.0700 174.4004 63 G 3.9158 8.8669 108.9537 44.6089 0.0000 172.6568 64 F 4.7257 8.6666 120.8915 57.6913 38.9174 175.3674 65 R 4.3644 8.3917 127.1348 51.6193 30.6905 174.1821 66 P 4.0970 0.0000 0.0000 65.0851 31.0098 178.4207 67 E 3.8174 7.6750 118.4071 59.5037 29.2444 179.2765 68 R 3.6371 7.2806 116.1359 58.8910 29.8478 178.7072 69 I 3.9895 7.2602 119.4428 64.2465 36.5390 178.5873 70 K 4.0451 7.8118 119.5596 59.3331 31.6294 179.4211 71 Q 4.0767 7.7371 117.1201 58.5718 28.2975 178.5780 72 L 4.2066 7.4922 119.1743 57.5665 41.7324 178.4431 73 Q 4.0598 7.6857 116.1724 58.5290 28.9949 176.3145 74 A 4.1669 7.5026 123.4222 52.3434 18.3299 176.9189 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 8.30 4.36 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 S 8.54 4.40 0.00 3.99 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 3 I 9.04 4.47 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.92 0.00 0.00 4 T 8.49 4.62 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 0.65 0.00 0.00 5 L 8.50 4.33 0.00 1.65 1.56 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.67 4.73 0.00 2.90 2.97 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 0.00 0.00 0.00 7 T 8.16 4.74 4.26 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 1.28 0.00 0.00 8 K 8.09 4.77 0.00 1.78 1.62 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.38 7.81 9 P 0.00 4.35 0.00 2.23 2.05 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 10 A 8.52 3.62 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 11 C 7.84 4.81 0.00 2.95 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 12 V 8.25 3.50 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 1.01 0.00 0.00 0.93 0.00 0.00 13 Q 8.03 4.07 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 14 C 8.06 4.29 0.00 3.12 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 15 T 7.73 3.80 4.37 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 1.22 0.00 0.00 16 A 8.12 4.04 1.35 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 17 T 7.67 3.86 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 1.06 0.00 0.00 18 K 7.90 3.76 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 19 K 8.07 4.05 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 20 A 7.95 4.08 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 21 L 7.70 4.01 0.00 1.60 1.70 0.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.18 4.51 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 3.92 0.00 1.99 1.96 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 24 A 7.63 4.13 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 25 G 7.65 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 26 L 7.89 4.43 0.00 1.85 1.68 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.45 4.39 1.21 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 0.00 0.00 28 Y 7.62 5.10 0.00 2.89 2.86 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 29 N 8.85 4.88 0.00 2.76 2.63 0.00 0.00 7.59 7.23 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 30 T 8.50 4.77 4.26 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 1.24 0.00 0.00 31 V 8.46 4.15 1.72 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 0.95 0.00 0.00 0.66 0.00 0.00 32 D 8.63 4.76 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.06 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 1.16 0.00 0.00 34 S 8.04 4.06 0.00 3.98 4.06 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 35 L 7.50 4.35 0.00 1.68 1.77 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.42 4.83 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.62 4.33 0.00 2.85 2.66 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 38 E 8.41 3.97 0.00 2.16 2.02 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 2.42 2.42 0.00 39 A 8.13 4.26 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.92 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 41 D 8.28 4.37 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.92 3.93 0.00 3.20 3.03 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 43 V 7.72 3.46 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 0.99 0.00 0.00 0.81 0.00 0.00 44 M 8.12 4.04 0.00 2.09 2.18 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 2.59 2.68 0.00 45 A 7.66 3.99 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 46 L 7.17 4.06 0.00 1.57 1.50 0.31 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.37 3.85 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 0.00 0.00 0.00 48 Y 7.24 4.68 0.00 3.08 2.89 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 0.00 0.00 0.00 49 V 7.57 4.21 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 0.85 0.00 0.00 0.95 0.00 0.00 50 Q 8.89 3.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 51 A 8.28 4.77 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.13 2.22 0.00 3.64 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 2.29 2.05 0.00 53 V 8.08 4.61 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 0.74 0.00 0.00 0.95 0.00 0.00 54 V 7.70 4.00 0.67 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 0.39 0.00 0.00 0.70 0.00 0.00 55 E 8.14 4.52 0.00 1.76 1.64 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 2.12 2.40 0.00 56 V 8.17 4.26 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 0.99 0.00 0.00 0.92 0.00 0.00 57 D 10.01 4.69 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 4.26 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 0.00 59 E 7.76 4.15 0.00 2.08 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 0.00 2.48 2.33 0.00 60 H 8.17 5.12 0.00 3.15 3.09 0.00 5.58 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 61 W 8.18 5.45 0.00 3.39 3.32 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 62 S 7.97 5.58 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.87 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 64 F 8.67 4.73 0.00 2.94 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 65 R 8.39 4.36 0.00 1.41 1.38 0.00 3.12 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 66 P 0.00 4.10 0.00 2.10 2.05 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 67 E 7.68 3.82 0.00 1.86 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 2.25 2.27 0.00 68 R 7.28 3.64 0.00 0.67 0.66 0.00 2.25 0.00 0.00 2.75 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.00 69 I 7.26 3.99 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.16 1.00 0.00 0.00 70 K 7.81 4.05 0.00 1.80 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.58 7.81 71 Q 7.74 4.08 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 72 L 7.49 4.21 0.00 1.83 1.80 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.69 4.06 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 74 A 7.50 4.17 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