NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7000 8.2827 119.2067 53.1908 39.3465 174.4448 2 E 3.6968 8.6639 127.2218 58.3444 30.3963 177.8921 3 C 4.3379 8.7501 119.2042 60.0535 40.7942 175.5279 4 V 3.8925 8.0927 119.8470 65.3170 30.7989 178.0709 5 S 4.1084 7.9364 114.2751 61.4474 62.7843 176.2711 6 K 4.1394 7.8356 118.8737 57.0039 31.9426 177.8685 7 G 3.7487 7.6084 107.9472 44.9302 0.0000 173.2806 8 F 5.2182 7.8551 120.2624 56.1415 42.5023 174.5054 9 G 4.2250 8.3523 103.5305 46.1924 0.0000 171.8226 10 C 5.3085 8.7044 117.8060 56.3211 35.9176 173.4014 11 L 4.9539 8.7870 121.0772 52.3129 46.3806 174.3521 12 P 4.5649 0.0000 0.0000 62.7224 32.3781 177.5002 13 Q 4.0201 8.9212 120.6238 59.2759 28.7408 179.6108 14 S 4.2049 8.1074 110.3665 60.5937 62.9980 174.3837 15 D 4.6252 7.9531 118.9055 54.0594 41.2915 175.3267 16 C 4.7948 7.7316 119.3360 53.6232 45.4155 171.6901 17 P 4.4917 0.0000 0.0000 62.2305 32.1144 177.4037 18 Q 3.9555 8.9553 122.2661 59.4108 28.8178 179.1726 19 E 3.9806 8.1676 113.0034 58.4159 29.8704 177.2047 20 A 4.3424 7.8838 121.7504 52.6585 19.6690 177.4943 21 R 4.4149 7.4480 114.8269 56.0879 30.6179 175.8315 22 L 4.5660 8.0939 120.0354 52.9957 45.2306 176.9495 23 S 4.3741 7.4882 112.8412 58.6030 63.6996 174.3190 24 Y 4.5666 6.8906 119.2736 58.0387 38.4684 175.8884 25 G 3.9298 8.5138 112.9064 44.3653 0.0000 173.5174 26 G 4.0866 8.7755 106.7596 45.7643 0.0000 175.0200 27 C 4.8188 7.8933 116.3859 55.4503 41.6407 173.9836 28 S 4.2192 8.6128 117.9477 60.2942 64.5303 174.4449 29 T 4.7117 7.3505 110.2102 61.0929 67.3339 177.7579 30 V 4.5611 8.2630 118.0487 59.5339 34.9883 172.5624 31 C 4.7833 8.7789 123.2565 56.8186 44.2999 172.4715 32 C 5.3272 9.1902 126.0388 54.8235 47.0071 172.9772 33 D 4.6603 9.0190 126.1733 53.0560 39.4596 176.4500 34 L 4.1364 8.5435 125.9970 57.1891 42.1011 179.8409 35 S 4.2600 8.2524 111.9988 60.5334 62.9224 174.9199 36 K 4.3526 7.8881 118.7395 56.3970 32.4070 176.9483 37 L 4.2570 7.5765 119.9415 54.6748 42.1094 176.1200 38 T 4.5713 8.1442 110.5796 60.4113 71.7582 174.2243 39 G 3.9961 8.4628 106.8649 45.2524 0.0000 173.8802 40 C 4.1795 8.5607 118.3806 59.5465 40.6595 175.9957 41 K 4.0675 7.6092 119.5936 58.7309 31.9392 178.7460 42 G 3.7483 7.7051 105.4460 47.4217 0.0000 174.1023 43 K 4.3764 8.0167 118.1670 55.9463 32.3215 176.5458 44 G 3.8002 8.1165 106.5329 46.2717 0.0000 174.1575 45 G 4.0704 7.7410 106.7949 44.3764 0.0000 172.6699 46 E 5.0761 9.0742 120.1984 54.2965 32.9376 173.9294 47 C 5.0934 8.9749 124.6742 57.2270 39.8147 172.6505 48 N 5.3096 9.2057 119.9207 50.5637 43.2972 172.2427 49 P 4.8130 0.0000 0.0000 62.7755 32.1295 177.8382 50 L 3.9958 8.3277 122.3965 57.7002 41.6560 178.1102 51 D 4.6261 7.9411 115.4287 53.0247 39.6987 175.9205 52 R 4.1336 7.7989 121.5417 55.6417 29.9942 175.7476 53 Q 4.1294 8.6926 127.9135 56.1969 29.3650 173.5673 54 C 4.8494 8.2970 118.8756 54.6293 43.3338 173.2363 55 K 4.2966 8.1972 118.3340 55.2251 32.2954 175.7957 56 E 4.4063 8.4862 126.6373 55.4096 30.9214 176.6736 57 L 4.3291 8.7590 129.7407 53.4212 41.0621 176.4083 58 Q 3.9187 8.3187 124.9192 58.6473 29.0616 177.2245 59 A 4.1091 8.0104 120.0401 54.1500 18.2687 178.1047 60 E 4.4523 8.0991 115.6393 56.5973 30.0684 178.1088 61 S 4.2134 7.9638 117.0667 61.4065 62.9006 176.2047 62 A 4.0488 8.0163 123.4265 55.0453 17.9348 179.5023 63 S 4.2025 7.6090 111.0032 61.2387 63.1151 175.5267 64 C 4.4610 7.9721 119.3334 58.7719 34.8445 174.5117 65 G 3.6866 8.1480 108.8046 44.1164 0.0000 172.2112 66 K 4.1063 8.4493 118.5180 57.7082 32.4512 177.4158 67 G 3.9648 9.0568 110.7694 45.8880 0.0000 172.3619 68 Q 5.2199 7.8281 116.7199 53.8175 32.6630 174.5774 69 K 4.6607 9.0643 119.8696 55.5217 37.2080 174.2149 70 C 4.7782 8.9338 121.5654 55.8775 41.4953 171.4512 71 C 5.0447 8.7541 124.3970 55.0744 42.4348 173.0529 72 V 4.3917 7.6312 123.1585 60.7840 32.6846 175.0512 73 W 4.7892 8.4934 128.2978 55.9296 30.1330 176.4308 74 L 4.3839 8.7334 121.9122 54.9173 41.4290 176.2794 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 N 8.28 4.70 0.00 2.75 2.82 0.00 0.00 6.71 6.77 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 2 E 8.66 3.70 0.00 2.14 2.14 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 2.16 2.28 0.00 3 C 8.75 4.34 0.00 3.30 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.89 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 1.23 0.00 0.00 1.01 0.00 0.00 5 S 7.94 4.11 0.00 3.96 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 6 K 7.84 4.14 0.00 1.81 1.87 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 0.89 7.81 7 G 7.61 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 0.00 0.00 0.00 8 F 7.86 5.22 0.00 3.32 3.31 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 9 G 8.35 4.23 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 0.00 0.00 0.00 10 C 8.70 5.31 0.00 2.90 3.05 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 11 L 8.79 4.95 0.00 1.56 1.50 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.56 0.00 2.18 1.98 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 13 Q 8.92 4.02 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 14 S 8.11 4.20 0.00 3.98 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 15 D 7.95 4.63 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.73 4.79 0.00 2.91 2.96 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 0.00 0.00 0.00 17 P 0.00 4.49 0.00 2.33 1.90 0.00 3.67 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 2.11 2.07 0.00 18 Q 8.96 3.96 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 19 E 8.17 3.98 0.00 2.09 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 0.00 2.26 2.24 0.00 20 A 7.88 4.34 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 21 R 7.45 4.41 0.00 1.92 1.80 0.00 3.07 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 22 L 8.09 4.57 0.00 1.26 0.77 0.12 0.32 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 23 S 7.49 4.37 0.00 3.84 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 24 Y 6.89 4.57 0.00 3.06 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 25 G 8.51 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 26 G 8.78 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 27 C 7.89 4.82 0.00 2.99 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 28 S 8.61 4.22 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.71 4.42 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 0.00 0.00 0.00 1.22 0.00 0.00 30 V 8.26 4.56 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 0.85 0.00 0.00 0.90 0.00 0.00 31 C 8.78 4.78 0.00 3.20 2.98 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 32 C 9.19 5.33 0.00 3.00 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 33 D 9.02 4.66 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.14 0.00 1.84 1.76 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.26 0.00 4.03 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 36 K 7.89 4.35 0.00 1.95 1.89 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 37 L 7.58 4.26 0.00 1.67 1.61 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.14 4.57 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 39 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.56 4.18 0.00 2.98 3.09 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 41 K 7.61 4.07 0.00 1.84 1.80 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.43 7.81 42 G 7.71 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 0.00 0.00 0.00 43 K 8.02 4.38 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 44 G 8.12 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 45 G 7.74 4.07 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 0.00 0.00 0.00 46 E 9.07 5.08 0.00 2.13 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 2.33 2.37 0.00 47 C 8.97 5.09 0.00 2.92 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 48 N 9.21 5.31 0.00 2.64 2.75 0.00 0.00 6.68 8.81 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 49 P 0.00 4.81 0.00 2.24 2.00 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 50 L 8.33 4.00 0.00 1.62 1.74 0.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.94 4.63 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 52 R 7.80 4.13 0.00 1.88 2.13 0.00 3.42 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 53 Q 8.69 4.13 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 54 C 8.30 4.85 0.00 2.29 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 55 K 8.20 4.30 0.00 1.55 1.69 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.33 7.81 56 E 8.49 4.41 0.00 1.89 1.77 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 2.29 2.40 0.00 57 L 8.76 4.33 0.00 1.57 1.48 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.32 3.92 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 59 A 8.01 4.11 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 60 E 8.10 4.45 0.00 2.06 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 2.22 2.44 0.00 61 S 7.96 4.21 0.00 3.99 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 62 A 8.02 4.05 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 63 S 7.61 4.20 0.00 4.05 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 64 C 7.97 4.46 0.00 3.17 3.18 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 65 G 8.15 3.69 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 66 K 8.45 4.11 0.00 1.76 1.78 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 67 G 9.06 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.83 5.22 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 69 K 9.06 4.66 0.00 1.85 1.83 0.00 1.27 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.33 7.81 70 C 8.93 4.78 0.00 3.14 3.13 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 71 C 8.75 5.04 0.00 2.57 1.75 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 72 V 7.63 4.39 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 0.77 0.00 0.00 0.82 0.00 0.00 73 W 8.49 4.79 0.00 3.37 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 74 L 8.73 4.38 0.00 1.68 1.58 0.92 0.87 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