NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4762 8.4287 115.3397 58.6284 64.8083 172.0713 2 A 4.6644 7.8897 123.3458 50.0352 23.0687 174.7931 3 F 4.7411 10.1253 127.3013 57.1341 40.0022 173.5311 4 T 4.2004 8.6087 122.5150 63.4983 69.8616 173.9261 5 V 5.0737 7.8570 116.0737 60.1216 36.8523 173.6944 6 W 6.1478 9.7768 122.0016 53.7540 33.1042 176.5713 7 S 4.1233 9.1138 116.8193 61.9014 63.3255 173.5745 8 G 4.2414 8.1927 103.5719 42.2431 0.0000 171.7487 9 P 4.4632 0.0000 0.0000 64.7551 32.6236 176.8798 10 G 4.2946 7.6007 109.9531 45.2445 0.0000 173.6686 11 C 3.8953 8.1750 113.2882 54.6130 42.4375 174.6366 12 N 4.6146 7.0591 113.8334 51.0960 39.2201 172.1432 13 N 4.3157 7.6198 121.5575 52.5341 44.2661 176.3323 14 R 4.4109 6.3492 125.2849 53.9850 30.8663 174.3104 15 A 3.7962 8.4258 126.2818 51.7523 18.9547 175.9371 16 E 4.5042 7.9879 122.1395 55.2784 33.7290 173.8895 17 R 4.5995 7.8735 122.5190 55.2731 33.2967 174.2184 18 Y 4.6611 8.8618 122.3957 56.4124 38.9150 175.8463 19 S 4.6995 8.5322 118.4128 58.6095 65.0307 175.7249 20 K 3.8441 8.0295 119.3346 56.5439 32.2034 176.8453 21 C 4.3016 8.4425 121.9758 57.2433 45.6706 173.8025 22 G 3.8357 8.2213 112.3672 44.6896 0.0000 169.6618 23 C 5.8568 8.7767 112.8695 53.3902 44.6989 173.4347 24 S 4.8930 8.2360 114.9068 56.2975 66.1621 172.6469 25 A 4.5229 8.5059 124.7992 51.8045 18.7045 177.2045 26 I 3.8852 7.8197 123.9741 60.5926 37.9353 176.0356 27 H 4.9458 9.0303 118.6583 55.4502 30.9820 174.5426 28 Q 4.3556 8.2035 118.7470 54.9818 27.5606 175.9280 29 K 3.9534 7.9670 127.0938 54.9340 31.4296 175.5496 30 G 4.0308 7.0691 108.9189 45.7419 0.0000 171.8261 31 G 4.6913 8.6664 106.1365 45.7656 0.0000 170.9704 32 Y 5.4171 8.0629 115.9165 56.1508 41.3959 173.1193 33 D 5.2650 9.1030 123.9111 52.5334 43.3114 174.8958 34 F 4.7076 9.2192 129.4322 58.1223 41.5839 174.8713 35 S 4.6059 6.8920 117.8445 56.3203 64.3380 172.1027 36 Y 4.3623 8.7419 129.3698 56.3178 39.9133 176.1006 37 T 4.4380 7.0081 116.2116 60.4087 68.7928 174.5467 38 G 3.8047 6.5809 109.6180 45.5820 0.0000 172.7478 39 Q 4.4127 6.7942 117.9808 54.6351 30.1662 175.5549 40 T 5.1257 8.4644 119.1576 63.1803 70.9817 173.0114 41 A 5.3028 8.5905 123.4182 50.6568 23.4199 174.9012 42 A 4.7273 8.4065 118.2216 51.1282 23.4883 175.5942 43 L 4.2702 8.1465 123.2564 53.4586 43.2913 175.2575 44 Y 4.6954 8.3706 122.8389 56.4091 39.3045 176.1159 45 N 4.7605 8.4855 121.0605 54.6879 39.4722 174.5514 46 Q 4.6817 7.9163 116.2750 54.1761 31.4973 175.2157 47 A 3.9798 8.6154 124.7910 53.7014 19.0959 177.6971 48 G 4.2548 8.9306 109.8590 48.6524 0.0000 171.9863 49 C 4.1122 7.7592 106.8168 56.0074 41.4554 173.0868 50 S 4.6647 7.5774 111.6690 59.3180 64.0880 175.1299 51 G 4.0929 7.2716 119.9060 45.4573 0.0000 176.8179 52 V 4.3585 8.3904 123.1299 60.0902 34.4635 174.5354 53 A 3.3491 7.3445 125.9123 52.3217 18.9384 175.4631 54 H 4.7856 8.2701 113.4228 57.7139 35.9383 174.5326 55 T 4.3775 7.3497 115.0748 61.9467 71.9909 173.4214 56 R 4.8502 8.3229 125.3710 54.9068 32.6123 176.2098 57 F 4.4030 8.6906 119.3694 55.7295 42.0686 175.6043 58 G 3.8754 8.6654 111.7894 44.6700 0.0000 172.4329 59 S 4.6150 8.1877 111.8912 56.7021 65.7167 174.2477 60 S 4.4821 9.1789 118.5757 58.5681 62.6802 173.2305 61 A 4.7002 8.8949 127.7865 49.9372 20.1540 174.8792 62 R 4.7343 8.7022 121.1196 55.9741 27.9579 176.0314 63 A 4.3902 8.6922 124.9780 50.4628 21.4368 177.2910 64 C 5.1082 7.6980 114.1346 55.3843 36.3461 173.1954 65 N 5.5514 7.6115 116.8378 50.5404 43.6808 174.4394 66 P 4.7736 0.0000 0.0000 63.3853 32.5890 174.2974 67 F 4.4677 7.5989 112.8728 56.0779 40.1706 175.4930 68 G 4.0056 7.5481 111.3369 45.4254 0.0000 172.2955 69 W 4.6791 7.4880 118.7785 55.5315 30.7488 176.1521 70 K 4.5636 8.6343 118.8510 58.2321 33.7577 176.3465 71 S 4.8020 8.1884 112.7063 57.2327 67.5091 172.8537 72 I 4.5376 8.2388 119.4952 59.5440 41.2277 173.6827 73 F 4.8623 9.3960 133.7033 58.0183 40.2212 173.9949 74 I 4.5602 7.7763 127.4999 59.4835 39.5293 175.5624 75 Q 4.2050 8.2364 125.1051 55.2811 29.8094 175.7363 76 C 4.3951 8.4865 117.9516 57.4188 41.3279 173.7992 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 S 8.43 4.48 0.00 3.83 3.79 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 0.00 0.00 0.00 2 A 7.89 4.66 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 3 F 10.13 4.74 0.00 3.31 3.08 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 4 T 8.61 4.20 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 0.41 0.00 0.00 5 V 7.86 5.07 2.42 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 1.08 0.00 0.00 1.05 0.00 0.00 6 W 9.78 6.15 0.00 3.41 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 7 S 9.11 4.12 0.00 3.95 4.19 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 0.00 0.00 0.00 0.00 8 G 8.19 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 0.00 0.00 0.00 0.00 9 P 0.00 4.46 0.00 2.15 2.17 0.00 3.52 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 1.95 2.06 0.00 10 G 7.60 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 0.00 0.00 0.00 0.00 11 C 8.18 3.90 0.00 1.23 2.67 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 0.00 0.00 0.00 0.00 12 N 7.06 4.61 0.00 2.50 2.58 0.00 0.00 6.76 7.73 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 13 N 7.62 4.32 0.00 2.85 2.67 0.00 0.00 6.50 7.98 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 14 R 6.35 4.41 0.00 2.12 2.20 0.00 3.17 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 15 A 8.43 3.80 1.29 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 0.00 0.00 0.00 16 E 7.99 4.50 0.00 1.80 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.26 0.00 17 R 7.87 4.60 0.00 1.55 1.53 0.00 3.15 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 18 Y 8.86 4.66 0.00 3.24 2.87 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 19 S 8.53 4.70 0.00 3.92 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 20 K 8.03 3.84 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.41 7.81 21 C 8.44 4.30 0.00 2.86 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 22 G 8.22 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 23 C 8.78 5.86 0.00 2.90 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 24 S 8.24 4.89 0.00 3.96 4.02 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 25 A 8.51 4.52 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 26 I 7.82 3.89 2.14 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.75 1.45 0.00 0.00 27 H 9.03 4.95 0.00 3.19 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.20 4.36 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.58 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 29 K 7.97 3.95 0.00 1.69 1.63 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.55 7.81 30 G 7.07 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 0.00 0.00 0.00 31 G 8.67 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.06 5.42 0.00 2.27 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 33 D 9.10 5.26 0.00 3.02 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 34 F 9.22 4.71 0.00 3.12 3.20 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 0.00 35 S 6.89 4.61 0.00 3.82 3.46 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 36 Y 8.74 4.36 0.00 3.54 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 37 T 7.01 4.44 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 1.15 0.00 0.00 38 G 6.58 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 6.79 4.41 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 40 T 8.46 5.13 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 41 A 8.59 5.30 0.93 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 42 A 8.41 4.73 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.15 4.27 0.00 0.39 0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.37 4.70 0.00 2.88 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 45 N 8.49 4.76 0.00 2.82 2.87 0.00 0.00 7.14 6.89 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 46 Q 7.92 4.68 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 47 A 8.62 3.98 1.27 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 0.00 0.00 0.00 48 G 8.93 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 0.00 0.00 0.00 0.00 49 C 7.76 4.11 0.00 1.48 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 0.00 0.00 0.00 50 S 7.58 4.66 0.00 3.96 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 51 G 7.27 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 52 V 8.39 4.36 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 0.88 0.00 0.00 0.92 0.00 0.00 53 A 7.34 3.35 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.27 4.79 0.00 3.22 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.35 4.38 3.77 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 0.84 0.00 0.00 56 R 8.32 4.85 0.00 1.52 1.82 0.00 3.06 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 57 F 8.69 4.40 0.00 1.51 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 0.00 0.00 0.00 58 G 8.67 3.88 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 0.00 0.00 0.00 59 S 8.19 4.61 0.00 4.01 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 60 S 9.18 4.48 0.00 4.00 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 61 A 8.89 4.70 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 0.00 0.00 0.00 0.00 0.00 62 R 8.70 4.73 0.00 1.74 1.93 0.00 3.49 0.00 0.00 2.69 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 63 A 8.69 4.39 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 64 C 7.70 5.11 0.00 2.81 2.87 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 65 N 7.61 5.55 0.00 2.69 2.73 0.00 0.00 7.41 8.05 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 66 P 0.00 4.77 0.00 2.02 2.12 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 F 7.60 4.47 0.00 1.68 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 68 G 7.55 4.01 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 0.00 0.00 0.00 69 W 7.49 4.68 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.56 0.00 1.81 1.86 0.00 1.62 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.52 7.81 71 S 8.19 4.80 0.00 3.80 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 72 I 8.24 4.54 1.13 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.06 0.62 0.00 0.00 73 F 9.40 4.86 0.00 2.86 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 74 I 7.78 4.56 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.97 0.00 0.00 75 Q 8.24 4.20 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.17 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 76 C 8.49 4.40 0.00 2.94 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