NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3357 8.2649 123.5847 52.1930 20.9806 177.0213 2 E 4.0146 7.8573 115.5191 54.2251 30.4475 175.0892 3 L 3.8659 8.2706 122.5576 56.0182 43.2890 176.3644 4 T 5.0367 8.4032 114.7830 60.3430 71.6301 173.9822 5 C 5.1370 9.7464 120.4356 57.5180 41.3489 174.8881 6 T 4.3608 8.1301 106.9131 61.3445 69.0696 173.8764 7 D 4.5126 8.0141 122.2161 54.4379 40.3845 175.3727 8 V 4.3012 8.1142 119.2431 60.9941 31.8671 178.4325 9 S 4.2119 8.4071 116.6385 60.5267 62.8071 175.1883 10 G 3.8952 7.9869 108.3702 45.5149 0.0000 173.2918 11 L 4.7347 7.5438 120.0783 52.9744 43.7176 177.2285 12 T 4.1094 8.8064 112.3453 61.3546 70.6684 175.4304 13 A 3.9981 8.5455 123.8686 55.7351 18.4553 180.0437 14 E 4.1030 8.1183 116.3639 59.5804 29.6560 179.2927 15 E 4.0025 8.2411 118.7613 59.3654 29.4020 179.4368 16 I 3.7338 7.9299 119.9194 64.5035 37.0824 178.4142 17 Q 3.9962 8.4504 119.2735 59.1126 28.5000 178.7418 18 M 4.0172 8.0327 119.0025 58.6521 32.3454 178.3365 19 R 3.9658 7.8839 118.0387 59.5594 30.2403 178.9523 20 E 4.0797 8.5599 118.7114 59.4027 29.2377 179.5892 21 S 4.1923 8.2535 113.6917 61.0617 63.2779 175.5881 22 L 4.3268 7.9899 120.4931 53.6491 41.7302 176.5688 23 Q 3.6885 8.2366 117.0539 56.5984 26.7088 173.7307 24 Y 4.3029 7.9907 117.8372 58.2686 39.8110 175.0452 25 T 4.2971 7.4091 119.8960 60.0256 70.6953 174.4633 26 D 4.3701 8.5001 126.3015 56.6061 41.0934 176.3214 27 H 4.6026 7.4752 116.0830 52.7080 28.7667 172.6124 28 S 3.9784 8.5514 117.9187 57.7903 62.6833 173.1111 29 P 3.9884 0.0000 0.0000 64.0918 31.3059 175.5711 30 Y 4.6749 6.9670 118.1607 55.3215 39.8283 175.0756 31 P 4.2024 0.0000 0.0000 64.7646 31.6218 176.8133 32 D 4.7818 7.9119 114.5243 52.5699 39.7134 175.9845 33 K 4.0690 7.6600 118.8309 55.0327 34.4757 175.4115 34 T 5.0875 9.2995 113.6528 59.5346 72.3617 174.8459 35 C 4.1673 8.8569 119.1344 62.8999 28.1019 176.5755 36 A 3.9340 7.8105 121.5838 54.0608 18.2153 177.5991 37 N 5.0627 8.4419 113.4636 52.6441 37.8325 173.3530 38 C 4.5892 7.9553 118.9650 57.9338 33.2070 174.3119 39 Q 3.8879 8.4654 127.8952 58.8229 28.7875 177.2555 40 L 4.4605 7.6782 115.1953 54.5908 42.3917 175.1218 41 Y 4.7923 7.7402 121.9275 57.3069 40.4218 174.4847 42 V 4.2243 7.9528 125.9681 60.1630 33.5548 173.2157 43 P 4.3457 0.0000 0.0000 62.1281 32.1064 176.2800 44 A 4.2090 8.3650 124.7450 52.0699 19.0298 177.6887 45 E 4.2180 8.4742 117.8121 58.2046 30.2612 177.3150 46 S 4.6568 7.5244 112.4925 55.8887 65.3376 172.5563 47 P 4.4895 0.0000 0.0000 64.6458 31.1435 176.4044 48 D 4.7912 7.9406 117.9683 54.2363 41.0868 175.6609 49 Q 4.7345 7.6586 117.5802 53.7981 32.3390 174.6996 50 C 4.5655 8.5906 117.1837 57.0409 38.6452 174.9720 51 G 3.9349 8.1451 110.5267 45.3104 0.0000 171.7899 52 G 4.5498 8.2181 106.9346 45.2661 0.0000 171.1445 53 C 5.3737 8.2579 118.3166 57.8033 34.0993 174.2778 54 Q 4.0653 9.1106 124.1889 58.2240 28.4472 177.0567 55 L 4.3685 8.1211 119.6796 55.9709 43.1591 176.0555 56 I 4.5518 7.3521 109.4028 58.6945 40.0533 175.0849 57 K 4.1424 8.3128 121.4544 56.3101 33.1335 177.0764 58 G 3.8197 8.4015 107.3300 43.7205 0.0000 171.2814 59 P 4.5647 0.0000 0.0000 62.7478 32.1311 175.7655 60 I 4.5516 8.3679 120.6762 59.9950 41.3110 173.8333 61 H 4.9815 9.7066 128.0795 54.7546 30.8408 174.3377 62 P 3.7162 0.0000 0.0000 65.5045 32.2219 177.0059 63 N 4.6566 8.7190 116.1301 53.6535 39.8676 175.7725 64 G 4.3786 8.1429 108.3500 46.7945 0.0000 172.0078 65 Y 5.3081 8.1216 118.0249 57.0976 42.8516 173.5937 66 C 4.8165 7.5798 118.0231 56.5131 33.5098 174.6971 67 T 4.0734 8.7532 108.8415 62.9582 68.4880 175.0938 68 S 4.4593 7.8471 115.8710 57.6600 62.5763 173.0933 69 W 4.1729 7.4608 128.3356 58.2570 30.8223 175.0548 70 V 3.9558 7.5186 124.6451 60.5589 32.2021 174.7874 71 Q 2.5200 7.4458 129.2600 58.8496 29.2419 176.3234 72 K 3.9470 8.0122 123.7928 55.7553 31.8197 177.4408 73 A 4.2673 8.4158 128.6390 52.5869 16.4218 177.2341 74 T 4.0659 8.0815 116.6270 63.9272 68.4863 174.7613 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 A 8.26 4.34 1.30 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 0.00 0.00 0.00 2 E 7.86 4.01 0.00 2.07 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 2.34 2.44 0.00 3 L 8.27 3.87 0.00 1.60 1.70 0.93 0.80 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 4 T 8.40 5.04 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 1.26 0.00 0.00 5 C 9.75 5.14 0.00 3.28 3.23 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 0.00 0.00 0.00 0.00 6 T 8.13 4.36 4.32 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 1.34 0.00 0.00 7 D 8.01 4.51 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.30 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 0.89 0.00 0.00 0.95 0.00 0.00 9 S 8.41 4.21 0.00 4.00 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 10 G 7.99 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 0.00 0.00 0.00 11 L 7.54 4.73 0.00 1.77 1.58 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.81 4.11 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 1.25 0.00 0.00 13 A 8.55 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.10 0.00 2.02 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 0.00 2.40 2.40 0.00 15 E 8.24 4.00 0.00 2.17 1.98 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 2.32 2.34 0.00 16 I 7.93 3.73 2.02 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 1.53 0.84 0.93 0.00 0.00 17 Q 8.45 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 18 M 8.03 4.02 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 19 R 7.88 3.97 0.00 2.11 2.07 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 20 E 8.56 4.08 0.00 2.17 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 2.38 2.54 0.00 21 S 8.25 4.19 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.33 0.00 1.79 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.24 3.69 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 24 Y 7.99 4.30 0.00 3.01 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 25 T 7.41 4.30 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 1.18 0.00 0.00 26 D 8.50 4.37 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.48 4.60 0.00 2.98 3.12 0.00 5.87 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 28 S 8.55 3.98 0.00 4.05 3.66 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 29 P 0.00 3.99 0.00 0.92 1.61 0.00 2.98 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.40 0.00 30 Y 6.97 4.67 0.00 2.71 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 31 P 0.00 4.20 0.00 2.00 2.08 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 32 D 7.91 4.78 0.00 2.71 2.69 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 33 K 7.66 4.07 0.00 1.08 0.74 0.00 0.85 0.00 0.00 0.78 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.72 7.81 34 T 9.30 5.09 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 1.20 0.00 0.00 35 C 8.86 4.17 0.00 2.72 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 36 A 7.81 3.93 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 37 N 8.44 5.06 0.00 3.03 3.13 0.00 0.00 6.32 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 38 C 7.96 4.59 0.00 3.12 3.04 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 39 Q 8.47 3.89 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 40 L 7.68 4.46 0.00 1.75 1.66 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.74 4.79 0.00 3.11 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 42 V 7.95 4.22 1.85 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 0.86 0.00 0.00 0.83 0.00 0.00 43 P 0.00 4.35 0.00 1.93 2.03 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 44 A 8.37 4.21 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 45 E 8.47 4.22 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 46 S 7.52 4.66 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 4.49 0.00 2.23 2.18 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 48 D 7.94 4.79 0.00 2.67 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 49 Q 7.66 4.73 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 50 C 8.59 4.57 0.00 2.98 3.26 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 51 G 8.15 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 52 G 8.22 4.55 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 0.00 53 C 8.26 5.37 0.00 3.02 2.94 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 0.00 0.00 0.00 54 Q 9.11 4.07 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 55 L 8.12 4.37 0.00 1.57 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.35 4.55 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.92 0.00 0.00 57 K 8.31 4.14 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.55 7.81 58 G 8.40 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.20 2.06 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 60 I 8.37 4.55 2.08 0.00 0.00 0.44 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 1.09 1.17 0.00 0.00 61 H 9.71 4.98 0.00 3.51 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.63 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 3.72 0.00 2.13 2.33 0.00 3.42 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 2.04 2.03 0.00 63 N 8.72 4.66 0.00 2.58 2.81 0.00 0.00 7.05 7.58 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 64 G 8.14 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 0.00 0.00 0.00 0.00 65 Y 8.12 5.31 0.00 3.01 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 66 C 7.58 4.82 0.00 3.19 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 67 T 8.75 4.07 4.32 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 1.46 0.00 0.00 68 S 7.85 4.46 0.00 3.85 3.89 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 69 W 7.46 4.17 0.00 3.25 3.21 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 70 V 7.52 3.96 1.84 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 0.90 0.00 0.00 0.87 0.00 0.00 71 Q 7.45 2.52 0.00 1.68 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 72 K 8.01 3.95 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.29 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.41 7.81 73 A 8.42 4.27 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 74 T 8.08 4.07 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 1.21 0.00 0.00