NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9786 8.3393 109.7328 45.5951 0.0000 173.0618 5 S 4.1097 8.7765 114.4791 57.6056 63.8724 173.7253 6 D 4.9803 8.4888 116.9047 52.0158 42.7891 174.9643 7 P 4.5336 0.0000 0.0000 61.3079 32.8621 175.0175 8 P 4.4574 0.0000 0.0000 63.0965 31.9527 175.8155 9 T 4.3879 8.1013 115.6858 62.0893 69.9959 174.4470 10 A 4.4273 8.3217 127.8250 51.7696 19.5004 177.7954 11 C 4.9022 8.4695 119.4317 55.1826 44.1626 174.0952 12 C 4.7064 8.2827 120.2958 55.6683 41.1341 173.7270 13 F 4.5431 8.5267 121.0320 57.1543 40.3767 175.0472 14 S 4.4985 7.5963 113.4727 56.8263 65.9100 172.5648 15 Y 5.1204 7.9377 118.1226 56.0794 40.3159 176.0244 16 T 4.0583 8.8851 118.0371 62.5206 67.9273 174.0022 17 A 4.6395 8.5796 128.1916 51.8959 20.3375 176.6115 18 R 4.4928 7.3783 116.5421 53.5302 31.9295 175.5244 19 K 2.8157 8.1493 126.5509 55.8156 32.6736 175.9230 20 L 4.0608 6.9070 126.1802 53.1352 42.5521 174.9687 21 P 3.9183 0.0000 0.0000 62.8230 31.9530 176.9624 22 R 3.4202 8.7536 123.7016 59.2411 29.9454 177.3734 23 N 4.7050 7.8236 111.9591 53.7335 38.1526 175.8934 24 F 4.4694 8.3452 119.0627 59.8382 39.2974 175.1572 25 V 4.7042 7.5794 120.5057 61.8685 31.8078 175.5621 26 V 4.4298 8.5418 120.2614 61.7942 33.5526 174.8386 27 D 4.9274 8.0779 118.7346 54.0364 44.6387 173.0753 28 Y 5.4692 8.2735 118.3479 56.2283 40.9754 173.0877 29 Y 4.5135 8.5035 117.9507 55.5892 42.2253 173.0326 30 E 5.0816 8.7253 120.8977 54.8393 31.2565 175.6283 31 T 4.4654 8.4274 116.6732 60.9781 70.2557 174.5131 32 S 4.2408 8.6416 117.2164 58.4522 62.9203 175.3093 33 S 4.3585 8.4808 119.6308 60.2107 63.1113 175.3195 34 L 4.1109 7.6918 120.9330 57.1431 41.5874 176.8645 35 C 4.6290 7.8932 117.0015 56.0800 40.8331 174.8653 36 S 4.0256 8.4704 116.3398 60.9313 62.9104 174.3122 37 Q 4.5909 7.0898 113.8602 53.6875 31.4274 172.6812 38 P 4.4653 0.0000 0.0000 62.8091 32.4301 175.7599 39 A 4.5672 7.8822 117.8450 51.3298 22.4625 175.4153 40 V 4.1801 7.9152 122.1152 61.7912 33.4147 174.9008 41 V 4.3708 8.2116 128.3293 61.2359 32.9002 174.6581 42 F 5.2360 8.9922 127.8732 57.0803 40.7973 174.8950 43 Q 5.3926 9.6518 121.4804 54.5495 32.1708 175.5979 44 T 5.4468 8.3431 113.8503 59.4076 71.4273 175.9457 45 K 3.9793 8.6174 120.2825 59.7325 32.0648 178.4388 46 R 4.2837 7.8281 115.1883 56.1847 29.7721 176.4462 47 S 3.8945 7.8978 111.7294 59.4141 61.0439 172.0221 48 K 4.2934 8.0882 120.0601 56.6012 33.0867 176.0381 49 Q 5.0836 8.7220 122.7675 54.2152 31.0328 175.1260 50 V 4.4473 8.6860 124.1331 60.9724 34.4462 174.0372 51 C 5.0003 8.9602 126.0984 57.1474 36.0688 172.7788 52 A 5.1666 9.0916 124.3962 49.9390 23.0516 174.7818 53 D 3.3700 8.0718 119.7568 52.5849 41.5705 175.7682 54 P 4.0366 0.0000 0.0000 65.4438 31.4742 177.6135 55 S 4.2201 8.0782 112.6218 59.5957 63.1197 174.9124 56 E 4.1786 7.4579 121.3773 55.7781 31.3888 177.5294 57 S 4.2041 8.3276 116.4099 60.8297 63.5249 176.6514 58 W 4.2073 7.8648 120.0235 58.9995 28.0079 178.2992 59 V 2.7737 6.0708 118.4817 65.9101 30.8436 178.0233 60 Q 4.0194 7.6114 117.0945 58.6867 28.4568 178.4891 61 E 4.0292 8.2376 120.7300 59.3787 29.6964 178.4221 62 Y 4.1401 8.7757 117.3260 61.2070 38.0903 178.5641 63 V 3.1222 8.3023 119.4684 66.2058 31.4841 177.7333 64 Y 3.8439 8.2314 116.3610 61.0459 37.7513 177.8488 65 D 4.4075 8.2783 119.0351 57.4208 41.1010 178.3407 66 L 4.1053 7.9865 118.7027 57.5067 41.6886 178.5580 67 E 4.2680 8.0487 118.2201 58.3524 29.8177 177.6656 68 L 4.4570 8.0130 117.3081 55.2214 42.5770 176.3227 69 N 4.6047 8.1850 120.2774 53.2491 38.8336 174.3279 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 4 G 8.34 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 0.00 0.00 0.00 5 S 8.78 4.11 0.00 4.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.98 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.16 2.03 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 8 P 0.00 4.46 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.65 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 9 T 8.10 4.39 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 1.20 0.00 0.00 10 A 8.32 4.43 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 11 C 8.47 4.90 0.00 2.76 2.34 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 12 C 8.28 4.71 0.00 2.84 2.86 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 0.00 0.00 0.00 13 F 8.53 4.54 0.00 3.00 2.97 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 14 S 7.60 4.50 0.00 3.91 3.77 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 15 Y 7.94 5.12 0.00 3.00 2.80 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 16 T 8.89 4.06 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 1.60 0.00 0.00 17 A 8.58 4.64 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 18 R 7.38 4.49 0.00 1.72 1.77 0.00 3.26 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 19 K 8.15 2.82 0.00 0.96 1.18 0.00 1.28 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.43 0.21 7.81 20 L 6.91 4.06 0.00 1.45 1.58 1.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.92 0.00 0.76 1.36 0.00 3.28 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.61 0.00 22 R 8.75 3.42 0.00 1.50 1.74 0.00 2.23 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 23 N 7.82 4.70 0.00 2.89 2.90 0.00 0.00 6.05 7.43 0.00 0.00 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 F 8.35 4.47 0.00 3.27 3.11 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 0.00 0.00 0.00 0.00 25 V 7.58 4.70 2.16 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 0.94 0.00 0.00 1.00 0.00 0.00 26 V 8.54 4.43 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 0.74 0.00 0.00 1.05 0.00 0.00 27 D 8.08 4.93 0.00 2.77 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 28 Y 8.27 5.47 0.00 2.78 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 29 Y 8.50 4.51 0.00 2.86 2.85 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 0.00 0.00 0.00 0.00 30 E 8.73 5.08 0.00 2.05 1.92 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 2.23 2.35 0.00 31 T 8.43 4.47 4.39 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 1.27 0.00 0.00 32 S 8.64 4.24 0.00 3.86 3.77 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 33 S 8.48 4.36 0.00 4.02 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 34 L 7.69 4.11 0.00 1.68 1.78 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.89 4.63 0.00 3.06 2.86 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 0.00 0.00 0.00 36 S 8.47 4.03 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.09 4.59 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 38 P 0.00 4.47 0.00 2.06 2.01 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 A 7.88 4.57 1.25 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 0.00 0.00 0.00 40 V 7.92 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.65 0.00 0.00 41 V 8.21 4.37 0.67 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 0.73 0.00 0.00 0.68 0.00 0.00 42 F 8.99 5.24 0.00 3.17 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 43 Q 9.65 5.39 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.39 0.00 44 T 8.34 5.45 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 1.35 0.00 0.00 45 K 8.62 3.98 0.00 1.70 1.89 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 R 7.83 4.28 0.00 1.73 1.89 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 47 S 7.90 3.89 0.00 4.07 3.99 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 0.00 0.00 0.00 48 K 8.09 4.29 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.56 7.81 49 Q 8.72 5.08 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 50 V 8.69 4.45 2.35 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 1.27 0.00 0.00 1.08 0.00 0.00 51 C 8.96 5.00 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 52 A 9.09 5.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 3.37 0.00 1.79 2.20 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 54 P 0.00 4.04 0.00 1.93 1.95 0.00 3.34 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 55 S 8.08 4.22 0.00 3.80 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 56 E 7.46 4.18 0.00 1.53 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 57 S 8.33 4.20 0.00 4.01 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 58 W 7.86 4.21 0.00 3.30 3.25 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 0.00 59 V 6.07 2.77 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.46 0.00 0.00 60 Q 7.61 4.02 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 61 E 8.24 4.03 0.00 2.20 2.35 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 2.52 2.43 0.00 62 Y 8.78 4.14 0.00 3.26 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 63 V 8.30 3.12 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 0.47 0.00 0.00 0.53 0.00 0.00 64 Y 8.23 3.84 0.00 3.34 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 65 D 8.28 4.41 0.00 2.95 2.76 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 66 L 7.99 4.11 0.00 1.94 1.98 1.30 0.90 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 67 E 8.05 4.27 0.00 2.16 1.92 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 2.28 2.40 0.00 68 L 8.01 4.46 0.00 1.81 1.75 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.19 4.60 0.00 2.83 2.71 0.00 0.00 6.85 7.11 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