NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4558 0.0000 0.0000 62.6963 33.2275 174.5306 3 F 5.1940 9.0049 127.6394 56.1619 40.9693 172.7787 4 I 4.2377 9.0848 128.5715 59.2844 40.0017 173.8786 5 E 4.8521 8.3626 127.5601 54.4169 31.7683 174.4385 6 C 4.6780 9.0645 125.0415 58.3460 30.8376 172.5887 7 H 5.7449 9.0905 121.8962 53.6449 29.6256 174.1498 8 I 4.8128 8.1756 115.8208 58.5345 41.5352 174.5146 9 A 5.1570 8.4060 123.6382 51.2939 19.1890 177.3138 10 T 4.9997 7.7545 114.1075 61.6213 68.0818 173.4275 11 G 3.3524 8.9262 120.8123 45.7213 0.0000 174.4477 12 L 4.3634 7.3947 121.6337 53.1534 42.1490 182.2880 13 S 4.4977 8.2801 115.9754 57.3493 64.2219 175.4185 14 V 3.6173 8.3189 119.5870 65.9183 30.9703 177.8343 15 A 4.0047 8.0759 122.8270 55.5340 18.4763 179.8016 16 R 3.8917 8.1086 118.8430 61.7696 29.3729 180.9281 17 K 4.0915 7.8308 118.7093 59.4655 32.2194 179.1616 18 Q 3.9807 7.7819 117.6346 59.2943 28.6688 179.2838 19 Q 3.9460 8.2146 120.3338 58.9875 29.0358 177.7410 20 L 3.9592 8.3102 121.8081 58.4527 42.1505 179.1579 21 I 3.7199 8.0426 119.7936 64.2012 37.1058 178.4461 22 R 3.9251 7.8468 119.4850 59.3869 29.8160 178.3974 23 D 4.3608 8.5524 119.2253 57.3909 40.8822 179.0832 24 V 3.6248 8.0701 113.2093 64.3360 31.5108 178.5565 25 I 3.6948 7.6713 119.4372 64.4843 36.9835 177.8098 26 D 4.2762 7.9632 118.4245 57.3522 41.1577 178.3521 27 V 3.6151 8.1061 119.9425 65.3072 31.0683 178.3256 28 T 3.7935 7.9705 116.1587 66.2365 68.3702 175.9599 29 N 4.5894 8.1737 122.5370 56.8180 38.8020 177.5097 30 K 4.0062 8.4208 124.0672 59.7488 31.8357 180.4263 31 S 4.5971 8.4776 114.4081 60.1066 63.5116 175.7334 32 I 4.2284 8.5241 122.4536 60.5844 37.8941 176.9291 33 G 3.9542 8.4263 106.9561 45.1046 0.0000 173.5558 34 S 4.2568 7.6906 116.7266 57.8860 63.6314 173.1667 35 D 4.5828 8.5983 125.0836 53.1927 41.9120 175.1307 36 P 4.2456 0.0000 0.0000 65.8175 31.2524 178.7671 37 K 4.2116 9.3539 121.2426 56.3353 31.7244 182.9993 38 I 4.5778 7.9753 109.7556 61.0224 37.7732 174.7272 39 I 4.7428 7.4536 121.1895 60.3023 38.9277 174.9322 40 N 5.1727 9.3299 123.9864 51.3983 42.2619 173.5723 41 V 4.9853 8.5985 122.2005 60.9593 34.8491 174.1396 42 L 4.8129 9.1315 129.2297 53.1451 44.9713 174.4588 43 L 5.1794 8.6999 128.4562 53.2339 44.1908 175.5855 44 V 4.4586 8.6994 126.0713 59.9837 34.4140 174.7633 45 E 4.9904 8.6879 124.1176 55.9592 31.7106 174.8574 46 H 5.2559 8.9215 117.9479 54.0591 33.9970 172.9202 47 A 4.4255 8.5902 123.1215 51.6752 19.5374 178.4133 48 E 3.8875 9.1350 121.3107 59.7084 29.6591 179.8717 49 A 4.0495 7.9955 119.3062 54.9217 18.4646 177.7219 50 N 4.6442 8.2434 111.5132 53.9811 39.0338 174.7944 51 M 4.5336 7.9226 118.8743 53.2866 34.1215 175.2871 52 S 4.5492 8.5088 117.4740 56.5463 64.0855 172.5699 53 I 4.2930 8.1384 128.8534 60.9991 38.5205 176.4585 54 S 3.4414 9.5129 120.1386 59.6834 60.2057 174.0993 55 G 3.9750 8.3820 106.1903 46.0913 0.0000 174.5620 56 R 4.0782 7.7484 123.3411 56.5066 29.9625 176.3334 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 2 P 0.00 4.46 0.00 2.16 2.29 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 3 F 9.00 5.19 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 4 I 9.08 4.24 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.82 0.00 0.00 5 E 8.36 4.85 0.00 1.36 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 1.92 2.17 0.00 6 C 9.06 4.68 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 7 H 9.09 5.74 0.00 3.03 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.18 4.81 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.91 0.00 0.00 9 A 8.41 5.16 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 10 T 7.75 5.00 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 1.22 0.00 0.00 11 G 8.93 3.35 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 0.00 12 L 7.39 4.36 0.00 1.68 1.46 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.28 4.50 0.00 3.99 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 14 V 8.32 3.62 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 1.04 0.00 0.00 0.93 0.00 0.00 15 A 8.08 4.00 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 16 R 8.11 3.89 0.00 1.82 1.99 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 17 K 7.83 4.09 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.71 7.81 18 Q 7.78 3.98 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 19 Q 8.21 3.95 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 20 L 8.31 3.96 0.00 1.74 1.84 0.91 1.03 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 21 I 8.04 3.72 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.05 0.92 0.00 0.00 22 R 7.85 3.93 0.00 2.11 2.06 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 23 D 8.55 4.36 0.00 2.83 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 24 V 8.07 3.62 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 0.91 0.00 0.00 0.94 0.00 0.00 25 I 7.67 3.69 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 0.92 0.00 0.00 26 D 7.96 4.28 0.00 2.75 2.81 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 27 V 8.11 3.62 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 0.91 0.00 0.00 0.93 0.00 0.00 28 T 7.97 3.79 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 N 8.17 4.59 0.00 2.84 3.04 0.00 0.00 6.86 6.71 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 30 K 8.42 4.01 0.00 1.84 1.72 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 31 S 8.48 4.60 0.00 3.96 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 32 I 8.52 4.23 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.92 0.00 0.00 33 G 8.43 3.95 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 0.00 0.00 0.00 34 S 7.69 4.26 0.00 3.91 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 35 D 8.60 4.58 0.00 2.71 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 36 P 0.00 4.25 0.00 2.26 2.31 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 37 K 9.35 4.21 0.00 1.73 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.25 7.81 38 I 7.98 4.58 1.88 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 1.50 1.17 0.92 0.00 0.00 39 I 7.45 4.74 2.03 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 1.25 0.85 0.94 0.00 0.00 40 N 9.33 5.17 0.00 2.76 2.75 0.00 0.00 6.00 8.03 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 41 V 8.60 4.99 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 0.84 0.00 0.00 0.95 0.00 0.00 42 L 9.13 4.81 0.00 2.01 1.49 1.14 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.70 5.18 0.00 1.64 1.52 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.70 4.46 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 0.69 0.00 0.00 0.85 0.00 0.00 45 E 8.69 4.99 0.00 1.91 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 0.00 2.34 2.31 0.00 46 H 8.92 5.26 0.00 3.04 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.59 4.43 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 E 9.14 3.89 0.00 2.01 2.05 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 2.42 2.30 0.00 49 A 8.00 4.05 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 50 N 8.24 4.64 0.00 2.84 2.86 0.00 0.00 6.82 7.72 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 51 M 7.92 4.53 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 52 S 8.51 4.55 0.00 3.76 3.72 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 0.00 0.00 0.00 0.00 53 I 8.14 4.29 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.90 0.00 0.00 54 S 9.51 3.44 0.00 3.98 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 55 G 8.38 3.97 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 0.00 0.00 0.00 56 R 7.75 4.08 0.00 1.94 1.86 0.00 3.24 0.00 0.00 3.59 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00