NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 L 4.4175 8.1844 120.6310 54.2310 43.1066 176.0713 -6 V 3.6190 9.3546 123.6079 60.4249 31.9341 173.8676 -5 P 4.6738 0.0000 0.0000 62.4010 33.1881 174.9328 -4 R 4.0091 7.9215 119.5458 54.3466 30.4263 176.3580 -3 G 3.8789 8.1335 114.7465 44.5473 0.0000 174.0195 -2 S 4.1563 8.4111 114.0383 60.6679 63.0108 174.9642 -1 H 4.4989 8.0948 114.9857 56.5459 28.7792 174.6895 0 M 4.8267 7.3666 120.6757 53.2919 34.3348 176.3844 1 T 4.1868 9.0807 115.0053 61.2577 71.0584 175.6152 2 I 3.9240 8.3143 122.3145 64.8775 37.1346 178.3824 3 D 4.4140 8.1298 119.0648 57.5279 40.6446 178.7154 4 Q 4.0462 8.5730 118.9605 58.6376 28.6309 178.6151 5 W 4.3212 8.5825 129.6163 60.6653 30.7990 178.0632 6 L 3.5921 8.4309 119.3375 57.3858 40.9430 179.2987 7 L 3.8895 7.9641 120.4076 58.0180 42.1038 178.9189 8 K 3.9192 8.3213 119.8723 59.6275 32.0323 178.4887 9 N 4.2103 8.2864 116.7790 56.1233 38.2939 177.2312 10 A 3.8959 8.0032 122.1933 54.9442 18.3765 179.7907 11 K 3.8549 8.1393 116.9953 59.7541 32.1392 179.4233 12 E 3.8851 8.1617 118.6912 59.5328 29.3688 179.2382 13 D 4.2763 8.3547 118.9406 57.0791 40.7682 178.7237 14 A 3.9547 8.2009 121.5253 55.2590 18.3512 179.6602 15 I 3.4365 7.8719 118.2577 64.4466 37.0431 178.5065 16 A 3.8773 8.0548 121.6043 55.0483 18.2983 179.3319 17 E 3.8606 8.2898 117.8273 59.3541 29.7383 179.0171 18 L 4.0864 8.1568 119.1853 57.8247 41.7282 179.6515 19 K 4.3595 8.2779 120.0022 58.9799 31.7589 179.4749 20 K 3.9819 8.1207 117.6395 59.2173 32.0596 178.3245 21 A 4.4086 7.6724 117.8367 52.2604 18.6438 178.0659 22 G 3.9435 8.0677 106.0374 45.2604 0.0000 173.8110 23 I 4.0113 7.9668 121.7697 61.0432 37.6707 176.4236 24 T 4.7206 8.1261 112.6451 60.5596 69.8223 174.0523 25 S 3.8891 7.2839 117.4688 58.0432 62.8253 174.1491 26 D 4.3211 8.4123 130.2384 57.1571 40.5781 178.4914 27 F 4.4189 7.9812 120.9287 61.6364 39.5869 176.6857 28 Y 4.0120 7.6793 116.2974 61.0853 37.5842 178.2860 29 F 4.5870 7.9260 118.8033 60.7381 39.0122 177.2069 30 N 4.3674 8.8191 116.8972 56.5343 38.4829 176.8471 31 A 3.9524 7.5440 121.1124 55.1471 18.7654 179.2059 32 I 3.7987 7.6705 117.9876 64.8167 37.0167 178.4510 33 N 4.4977 8.2112 115.6914 55.5221 38.4442 176.8189 34 K 4.2340 7.7501 117.9216 56.2711 32.8274 177.1619 35 A 4.1653 7.1747 122.5346 52.3531 18.7632 177.4899 36 K 4.5227 9.0681 119.1764 56.4917 33.8395 177.2157 37 T 4.7395 7.3312 108.8442 58.8947 73.2705 174.6900 38 V 3.5868 8.2756 121.1427 66.2678 31.5793 178.2593 39 E 3.9940 8.0846 117.9945 59.2382 29.2801 178.9243 40 E 3.9408 8.3633 118.8177 59.2526 29.4584 179.3085 41 V 3.5607 7.8047 118.2463 66.2927 31.4852 177.8214 42 N 4.2737 8.2306 115.6967 56.2755 38.3376 177.3621 43 A 3.9718 8.0774 122.1189 54.9341 18.5036 179.5786 44 L 3.8247 8.1465 117.8813 57.7906 41.6577 179.5614 45 K 3.8791 8.1393 119.4613 59.8075 32.1443 178.4934 46 N 4.3150 8.4792 116.9768 56.3588 38.3352 177.3500 47 E 3.9469 8.3475 120.0646 59.3254 29.5600 179.4290 48 I 3.5749 7.7303 119.8207 64.3533 36.9500 178.4358 49 L 4.0479 7.9313 118.7586 57.7584 41.6030 179.4893 50 K 4.1101 8.2545 118.1735 59.4939 31.8012 179.3445 51 A 3.9958 8.0804 120.0553 54.9762 18.3859 178.3799 52 H 4.5348 8.0553 114.2461 57.2163 30.2502 175.4897 53 A 4.2786 7.5708 126.8961 52.9243 18.3791 176.8101 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 -7 L 8.18 4.42 0.00 1.78 1.76 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 -6 V 9.35 3.62 2.19 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 0.85 0.00 0.00 0.98 0.00 0.00 -5 P 0.00 4.67 0.00 2.23 2.09 0.00 3.88 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 2.03 1.98 0.00 -4 R 7.92 4.01 0.00 0.67 1.04 0.00 3.08 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.13 0.00 -3 G 8.13 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 -2 S 8.41 4.16 0.00 3.96 3.98 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 -1 H 8.09 4.50 0.00 3.28 3.43 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 7.37 4.83 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.35 0.00 1 T 9.08 4.19 4.27 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 1.23 0.00 0.00 2 I 8.31 3.92 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 1.68 0.98 1.10 0.00 0.00 3 D 8.13 4.41 0.00 2.72 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 4 Q 8.57 4.05 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 5 W 8.58 4.32 0.00 3.39 3.49 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 6 L 8.43 3.59 0.00 1.66 1.58 0.91 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.96 3.89 0.00 1.77 1.85 0.92 0.64 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 8 K 8.32 3.92 0.00 1.99 1.98 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 9 N 8.29 4.21 0.00 2.44 2.57 0.00 0.00 6.91 8.20 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 10 A 8.00 3.90 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 11 K 8.14 3.85 0.00 1.95 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.62 7.81 12 E 8.16 3.89 0.00 2.06 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 2.44 2.47 0.00 13 D 8.35 4.28 0.00 2.74 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 14 A 8.20 3.95 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 15 I 7.87 3.44 1.64 0.00 0.00 0.78 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 0.67 0.03 0.00 0.00 16 A 8.05 3.88 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 17 E 8.29 3.86 0.00 2.15 2.09 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 2.31 2.35 0.00 18 L 8.16 4.09 0.00 2.07 1.96 1.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.28 4.36 0.00 1.90 1.87 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.54 1.31 7.81 20 K 8.12 3.98 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 21 A 7.67 4.41 1.42 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 0.00 0.00 0.00 22 G 8.07 3.94 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 0.00 0.00 0.00 23 I 7.97 4.01 2.15 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.90 0.00 0.00 24 T 8.13 4.72 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 1.25 0.00 0.00 25 S 7.28 3.89 0.00 3.17 2.92 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 26 D 8.41 4.32 0.00 2.70 2.75 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 27 F 7.98 4.42 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.68 4.01 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.59 0.00 3.20 3.01 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 30 N 8.82 4.37 0.00 2.99 3.11 0.00 0.00 7.08 8.32 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 31 A 7.54 3.95 1.20 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 0.00 0.00 32 I 7.67 3.80 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.91 0.00 0.00 33 N 8.21 4.50 0.00 2.86 2.92 0.00 0.00 7.10 7.42 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 34 K 7.75 4.23 0.00 1.90 1.87 0.00 1.86 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.57 7.81 35 A 7.17 4.17 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 36 K 9.07 4.52 0.00 1.72 1.84 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.34 7.81 37 T 7.33 4.74 4.36 0.00 0.00 0.00 0.00 0.00 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 38 V 8.28 3.59 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 1.02 0.00 0.00 0.89 0.00 0.00 39 E 8.08 3.99 0.00 2.08 1.96 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 2.38 2.44 0.00 40 E 8.36 3.94 0.00 2.16 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 2.31 2.30 0.00 41 V 7.80 3.56 2.21 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 1.09 0.00 0.00 0.96 0.00 0.00 42 N 8.23 4.27 0.00 2.93 2.83 0.00 0.00 6.98 7.25 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 43 A 8.08 3.97 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 44 L 8.15 3.82 0.00 1.79 1.66 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.14 3.88 0.00 1.87 1.95 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 46 N 8.48 4.32 0.00 2.76 2.83 0.00 0.00 7.11 7.20 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 47 E 8.35 3.95 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 48 I 7.73 3.57 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.95 0.00 0.00 49 L 7.93 4.05 0.00 1.76 1.75 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 4.11 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.65 7.81 51 A 8.08 4.00 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 52 H 8.06 4.53 0.00 3.35 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.57 4.28 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