NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9216 8.3393 109.7358 45.5949 0.0000 172.6490 2 S 4.0787 7.8062 115.1380 55.7695 64.3102 173.3973 3 S 3.8186 9.0700 119.3640 59.5535 63.4265 176.2796 4 G 3.7953 8.7162 115.4659 44.5423 0.0000 172.4076 5 S 4.0806 8.4855 114.6325 58.3897 62.7758 174.5020 6 S 4.4707 9.8426 121.3784 59.8068 63.5634 172.7871 7 G 2.9493 8.0639 117.7542 45.0334 0.0000 171.0372 8 E 4.5069 7.4121 119.0030 54.9242 32.0776 176.1718 9 Q 4.4218 8.2145 120.0758 54.7543 31.6851 174.2418 10 V 4.3710 8.0502 117.9405 58.6618 35.1304 175.4526 11 F 3.9937 8.1928 117.8571 57.2111 37.6581 174.8672 12 A 4.7934 8.8377 125.9841 49.7148 20.3787 173.8817 13 A 3.7496 9.2541 122.1218 52.7141 16.6475 176.5587 14 E 3.9421 9.3147 121.5796 58.1986 29.7753 176.0663 15 C 4.6582 7.1133 116.2940 58.5236 35.2387 171.9986 16 I 4.0447 8.2497 124.2439 61.4899 36.6320 175.8401 17 L 4.3496 8.6937 127.8242 56.8396 42.9002 176.2682 18 S 4.9808 7.1665 111.1889 57.1765 66.3625 172.1690 19 K 5.5011 8.7830 119.1575 55.7671 35.9067 175.1100 20 R 4.6765 9.1044 116.7560 55.2409 33.3038 173.2337 21 L 5.2248 7.8723 120.2726 53.5435 45.3755 175.5464 22 R 4.2703 9.1709 121.5156 56.7989 33.5271 174.4958 23 K 3.8839 9.7759 125.1472 57.3986 30.6890 174.3432 24 G 3.9466 8.3127 100.2350 46.2700 0.0000 174.2695 25 K 4.5568 8.1379 117.9459 53.9109 35.8824 175.0116 26 L 4.8587 8.2675 124.2447 53.6863 43.9627 174.6904 27 E 5.1024 9.0721 125.8923 54.6890 33.1697 174.4351 28 Y 5.0964 8.9958 121.3610 55.8299 41.3057 174.7318 29 L 2.7283 8.2476 127.1195 54.4950 42.1424 175.6815 30 V 3.8640 7.5072 127.6433 61.7028 33.2958 174.4485 31 K 4.2880 7.8254 128.3920 54.5638 33.9326 174.8663 32 W 5.6162 8.2356 127.6264 54.5720 30.5720 176.0283 33 R 3.8350 8.9572 124.4134 58.3468 29.6837 175.7972 34 G 4.1015 9.1370 114.5012 45.5432 0.0000 174.0703 35 W 4.5503 7.2564 118.1463 56.2564 29.8234 175.0393 36 S 4.8499 8.6853 114.4924 56.5534 64.2131 174.4096 37 S 4.5202 8.6392 114.3042 60.9453 62.6336 176.4999 38 K 3.8847 8.3118 119.8417 59.2471 31.9563 178.0167 39 H 4.2253 8.0482 115.1818 58.4675 28.9160 175.6776 40 N 4.4158 8.2377 116.6128 52.9979 39.3598 173.6040 41 S 4.9265 8.2900 115.5865 56.7057 67.3433 173.3223 42 W 4.7005 9.1555 124.3655 56.1261 29.6068 175.4311 43 E 4.9306 8.6454 124.7921 53.4698 32.1117 174.6808 44 P 5.3975 0.0000 0.0000 61.8166 32.6274 176.7878 45 E 4.3282 8.8988 120.1212 59.7072 29.1662 178.9563 46 E 4.1170 8.1932 115.9696 58.9487 29.7407 178.0782 47 N 4.8458 8.3840 116.9426 54.1696 39.0258 175.0043 48 I 3.8815 7.3302 120.3174 61.5361 36.5106 175.8042 49 L 4.2396 8.5035 125.8012 57.3274 40.8101 178.4115 50 D 4.5633 7.9338 119.4348 53.2343 41.9131 175.4980 51 P 4.3842 0.0000 0.0000 66.0366 31.5274 178.7471 52 R 3.8553 7.9423 117.8694 59.0112 29.8749 178.1824 53 L 3.8923 7.9426 117.7901 57.9330 41.6622 179.1618 54 L 3.7756 7.1696 117.8456 57.9638 41.5679 179.4129 55 L 3.8914 8.1110 118.3718 58.1059 41.5765 179.3927 56 A 3.9403 8.1248 120.5662 55.4046 18.1607 179.5050 57 F 4.0543 8.0576 118.7119 61.6960 39.4129 177.4435 58 Q 3.9417 8.3261 116.6937 59.2329 28.2927 179.8520 59 K 4.0986 8.2950 119.2964 59.4383 32.0929 179.5913 60 K 4.5868 7.3371 119.5410 58.8604 31.9027 179.0226 61 E 3.6474 8.0361 119.4044 59.7698 29.3880 178.8111 62 H 3.9266 7.7451 117.1897 59.6307 29.7950 176.3641 63 E 3.9542 8.2791 120.0911 59.6876 29.1283 179.7302 64 K 3.8730 7.7467 116.5203 58.6340 32.4632 177.5745 65 E 4.1855 7.1818 117.8617 56.1017 30.3442 175.3814 66 V 4.1721 8.0398 119.7967 64.4301 33.4095 176.1411 67 Q 4.0475 8.0069 117.1029 56.5761 29.3076 176.9003 68 N 4.6640 8.4876 121.0894 53.2605 38.3371 176.9577 69 S 4.5271 7.8199 112.3609 56.4732 64.5218 173.5620 70 G 4.1364 8.2727 114.1465 42.4630 0.0000 169.5575 71 P 4.3496 0.0000 0.0000 62.9081 31.3243 175.7837 72 S 4.5073 8.2010 117.6096 57.7897 66.6177 174.9612 73 S 4.5375 8.4830 117.7529 56.5419 61.3397 174.2286 74 G 3.7527 8.2702 113.8918 45.1444 0.0000 170.9644 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 G 8.34 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 0.00 0.00 0.00 2 S 7.81 4.08 0.00 4.07 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 3 S 9.07 3.82 0.00 3.99 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 4 G 8.72 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 5 S 8.49 4.08 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.84 4.47 0.00 3.94 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 7 G 8.06 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 0.00 0.00 0.00 8 E 7.41 4.51 0.00 1.93 1.86 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 2.23 2.20 0.00 9 Q 8.21 4.42 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 10 V 8.05 4.37 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.77 0.00 0.00 11 F 8.19 3.99 0.00 2.07 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 12 A 8.84 4.79 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.25 3.75 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 14 E 9.31 3.94 0.00 1.94 1.99 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 2.31 2.28 0.00 15 C 7.11 4.66 0.00 2.92 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.04 1.55 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 0.12 0.00 0.00 17 L 8.69 4.35 0.00 1.27 1.65 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.17 4.98 0.00 3.95 3.91 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 19 K 8.78 5.50 0.00 1.72 1.88 0.00 1.90 0.00 0.00 2.45 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.61 7.81 20 R 9.10 4.68 0.00 1.54 1.69 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 21 L 7.87 5.22 0.00 1.55 1.47 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.17 4.27 0.00 1.76 1.60 0.00 3.28 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 23 K 9.78 3.88 0.00 1.82 1.77 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 24 G 8.31 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 25 K 8.14 4.56 0.00 1.90 1.61 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.46 7.81 26 L 8.27 4.86 0.00 1.60 1.35 0.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.07 5.10 0.00 1.81 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 2.17 2.37 0.00 28 Y 9.00 5.10 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 2.73 0.00 0.27 0.85 -0.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.51 3.86 1.09 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 -0.20 0.00 0.00 0.71 0.00 0.00 31 K 7.83 4.29 0.00 1.75 1.58 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.39 7.81 32 W 8.24 5.62 0.00 3.69 3.41 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 33 R 8.96 3.83 0.00 1.77 1.91 0.00 3.25 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 34 G 9.14 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 0.00 0.00 0.00 0.00 35 W 7.26 4.55 0.00 3.61 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 4.85 0.00 4.02 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 37 S 8.64 4.52 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 3.88 0.00 1.78 1.93 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.53 7.81 39 H 8.05 4.23 0.00 3.59 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.24 4.42 0.00 2.85 2.68 0.00 0.00 6.59 7.26 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 41 S 8.29 4.93 0.00 4.06 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 42 W 9.16 4.70 0.00 3.14 3.32 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 43 E 8.65 4.93 0.00 1.94 1.88 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 2.35 2.51 0.00 44 P 0.00 5.40 0.00 2.23 2.28 0.00 3.92 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 2.10 1.93 0.00 45 E 8.90 4.33 0.00 2.27 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 2.50 2.61 0.00 46 E 8.19 4.12 0.00 2.19 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 0.00 2.30 2.43 0.00 47 N 8.38 4.85 0.00 2.92 2.95 0.00 0.00 7.27 7.41 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 48 I 7.33 3.88 2.00 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 1.71 0.82 0.88 0.00 0.00 49 L 8.50 4.24 0.00 1.70 1.76 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.93 4.56 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.25 2.30 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 52 R 7.94 3.86 0.00 1.86 2.04 0.00 3.14 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 53 L 7.94 3.89 0.00 1.58 1.59 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.17 3.78 0.00 1.89 1.66 0.91 0.35 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 55 L 8.11 3.89 0.00 1.80 1.73 0.91 1.00 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 56 A 8.12 3.94 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 57 F 8.06 4.05 0.00 2.91 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 58 Q 8.33 3.94 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 59 K 8.30 4.10 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 60 K 7.34 4.59 0.00 1.56 1.64 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.52 7.81 61 E 8.04 3.65 0.00 2.11 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 2.01 2.52 0.00 62 H 7.75 3.93 0.00 3.25 3.45 0.00 5.82 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 63 E 8.28 3.95 0.00 2.27 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 2.32 2.44 0.00 64 K 7.75 3.87 0.00 1.91 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 65 E 7.18 4.19 0.00 1.90 1.86 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 2.26 2.21 0.00 66 V 8.04 4.17 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 0.88 0.00 0.00 0.96 0.00 0.00 67 Q 8.01 4.05 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 68 N 8.49 4.66 0.00 2.70 2.81 0.00 0.00 6.80 7.57 0.00 0.00 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 S 7.82 4.53 0.00 3.91 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 70 G 8.27 4.14 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 0.00 71 P 0.00 4.35 0.00 2.20 2.11 0.00 3.81 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 1.99 1.99 0.00 72 S 8.20 4.51 0.00 3.84 3.76 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 73 S 8.48 4.54 0.00 3.81 3.78 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 74 G 8.27 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