NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0591 8.0501 114.0572 61.0674 33.9278 176.5523 2 A 3.9209 8.1854 122.7715 54.0526 18.4697 175.2944 3 P 4.7103 0.0000 0.0000 61.4872 33.7450 175.3324 4 T 4.0264 8.2972 118.0752 63.6435 70.3114 175.1093 5 L 3.9506 8.6206 125.0276 58.8291 42.0262 179.7183 6 T 4.0476 7.9486 108.9219 64.7008 68.9045 176.3963 7 A 4.0903 7.8834 123.2209 54.9958 18.4303 179.3778 8 R 3.9826 8.4263 117.2088 59.0258 30.2134 178.5989 9 L 3.8321 7.7088 118.8882 57.3635 41.6478 178.6920 10 Y 4.3344 8.2970 119.6728 60.9169 38.6354 177.7621 11 S 3.9514 7.8199 114.6468 61.4748 63.0089 176.1873 12 L 4.2540 7.3898 119.6745 56.1235 41.9613 177.6983 13 L 4.6126 7.4589 114.7166 54.1944 43.8613 177.2314 14 F 5.2180 7.7562 114.6448 58.0168 39.7295 177.1147 15 R 3.5903 7.1546 119.6291 58.9163 30.3140 177.3825 16 R 4.0991 7.5743 117.1871 56.4529 31.9272 177.6389 17 T 4.0864 8.5285 122.2236 66.3323 68.4943 176.8365 18 S 4.1329 8.1165 115.3579 61.7996 62.4911 176.2480 19 T 3.9572 7.8987 111.7050 64.3075 68.6173 176.1673 20 F 4.4804 8.4182 123.8810 61.3405 39.3878 176.9634 21 A 3.9060 8.4251 120.5831 55.0008 18.1295 179.3400 22 L 3.8975 8.1660 118.9955 58.6855 42.0861 179.4147 23 T 3.8900 8.1976 115.8795 66.4673 68.2366 176.8653 24 I 3.5630 7.5691 121.8466 64.2119 37.0430 178.6637 25 V 3.5450 7.9851 119.3185 66.0843 31.3558 178.2537 26 V 3.8388 8.2523 118.5774 66.0588 31.4616 178.2561 27 G 3.7046 8.6066 105.5162 47.4648 0.0000 175.5963 28 A 4.1471 8.2992 123.5638 54.7307 17.8782 179.5125 29 L 3.9120 7.9135 118.6367 58.6085 42.1878 179.3786 30 F 4.0901 8.3885 117.4245 60.2725 38.7160 177.6045 31 F 4.2600 8.4307 120.2171 61.2216 39.2398 176.7975 32 E 3.9826 8.3451 118.7332 59.1835 29.2783 178.9104 33 R 3.8093 7.7523 117.8038 59.4499 30.1001 178.4294 34 A 4.0506 7.7574 120.4372 54.8668 18.2790 179.3239 35 F 3.6615 8.2351 119.6358 61.1365 39.5194 176.9339 36 D 4.3889 8.1503 118.4136 57.8269 40.7199 179.1940 37 Q 3.9900 7.7139 118.2168 59.0212 29.1549 178.3425 38 G 3.4396 7.6946 106.5906 47.7984 0.0000 175.5929 39 A 3.8121 8.0578 123.5786 54.6070 18.2996 179.4982 40 D 4.3127 8.1743 117.4963 57.4467 40.6399 178.7950 41 A 4.1780 8.1514 120.8771 55.2418 18.1970 179.4803 42 I 3.8365 7.6674 117.9698 64.6107 36.9400 178.0388 43 Y 4.2311 7.8843 119.5667 60.3912 38.3107 177.5769 44 E 4.1120 8.1410 119.9159 59.6681 29.3699 178.7273 45 H 4.0538 7.7208 116.9374 59.0756 30.0533 176.3659 46 I 3.9955 7.6264 118.0045 62.8648 37.6354 175.3792 47 N 4.9134 7.1726 116.6057 52.1278 39.3050 175.2527 48 E 3.7294 7.8693 118.5399 57.7957 28.8365 178.0570 49 G 4.0778 8.3079 113.8289 45.6905 0.0000 175.4572 50 K 4.2154 7.4645 117.6873 58.8563 32.5373 177.5842 51 L 4.5185 7.1735 116.7543 53.4246 42.7365 177.6329 52 W 4.3333 8.9074 130.4178 60.6988 30.3614 178.5346 53 K 3.9029 8.1853 117.1475 59.1640 31.5105 178.2051 54 H 4.4134 7.8397 115.6118 58.1984 29.2812 177.3905 55 I 3.5409 7.8651 121.1399 64.8204 37.0918 179.7751 56 K 3.8704 7.4398 119.9041 59.0879 31.5832 177.8023 57 H 4.3369 7.5372 112.1122 57.4286 28.8530 176.6777 58 K 3.6776 7.8456 120.5720 58.7732 31.7242 176.5791 59 Y 4.6007 6.4672 116.7805 56.3690 37.8913 175.0149 60 E 4.2210 8.3080 125.0384 57.7272 30.7526 175.8763 61 N 4.5776 7.9087 120.4981 53.4891 38.7627 175.2404 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 V 8.05 4.06 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 0.88 0.00 0.00 0.94 0.00 0.00 2 A 8.19 3.92 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 3 P 0.00 4.71 0.00 2.07 2.00 0.00 3.70 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 2.10 0.00 4 T 8.30 4.03 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 5 L 8.62 3.95 0.00 1.72 1.71 0.93 0.74 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 6 T 7.95 4.05 4.34 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 1.29 0.00 0.00 7 A 7.88 4.09 1.41 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 0.00 0.00 8 R 8.43 3.98 0.00 2.04 1.92 0.00 3.08 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 9 L 7.71 3.83 0.00 2.01 1.49 1.02 0.75 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 10 Y 8.30 4.33 0.00 3.33 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 11 S 7.82 3.95 0.00 4.05 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 12 L 7.39 4.25 0.00 1.56 1.60 0.89 1.28 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 13 L 7.46 4.61 0.00 1.17 1.43 0.71 0.71 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 14 F 7.76 5.22 0.00 3.29 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 15 R 7.15 3.59 0.00 1.48 1.77 0.00 3.02 0.00 0.00 3.03 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.00 16 R 7.57 4.10 0.00 1.86 1.81 0.00 3.17 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 17 T 8.53 4.09 4.29 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 1.29 0.00 0.00 18 S 8.12 4.13 0.00 3.91 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 19 T 7.90 3.96 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 20 F 8.42 4.48 0.00 3.34 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 3.91 1.44 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 0.00 0.00 0.00 22 L 8.17 3.90 0.00 1.90 1.84 0.93 0.71 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 23 T 8.20 3.89 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 1.17 0.00 0.00 24 I 7.57 3.56 1.75 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.30 0.79 0.00 0.00 25 V 7.99 3.55 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 1.01 0.00 0.00 0.99 0.00 0.00 26 V 8.25 3.84 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 0.94 0.00 0.00 1.00 0.00 0.00 27 G 8.61 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 0.00 0.00 0.00 28 A 8.30 4.15 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.91 3.91 0.00 1.93 1.71 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.39 4.09 0.00 3.20 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 31 F 8.43 4.26 0.00 3.33 3.15 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 32 E 8.35 3.98 0.00 2.39 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 2.47 2.39 0.00 33 R 7.75 3.81 0.00 1.89 1.82 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 34 A 7.76 4.05 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 35 F 8.24 3.66 0.00 2.16 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 36 D 8.15 4.39 0.00 2.96 2.71 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 0.00 0.00 0.00 0.00 37 Q 7.71 3.99 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 38 G 7.69 3.44 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 0.00 0.00 0.00 0.00 39 A 8.06 3.81 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.17 4.31 0.00 2.84 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 41 A 8.15 4.18 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 42 I 7.67 3.84 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.94 0.00 0.00 43 Y 7.88 4.23 0.00 3.01 3.21 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 0.00 0.00 0.00 0.00 44 E 8.14 4.11 0.00 2.35 2.01 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 2.35 2.45 0.00 45 H 7.72 4.05 0.00 3.13 3.31 0.00 5.75 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 46 I 7.63 4.00 1.79 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 1.42 0.80 0.89 0.00 0.00 47 N 7.17 4.91 0.00 2.34 2.53 0.00 0.00 6.99 7.54 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 48 E 7.87 3.73 0.00 1.89 1.78 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 2.41 2.19 0.00 49 G 8.31 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 0.00 0.00 0.00 50 K 7.46 4.22 0.00 1.85 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.35 7.81 51 L 7.17 4.52 0.00 1.84 1.71 0.95 0.88 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 52 W 8.91 4.33 0.00 3.43 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 53 K 8.19 3.90 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 54 H 7.84 4.41 0.00 3.21 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.87 3.54 1.67 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.49 0.50 0.00 0.00 56 K 7.44 3.87 0.00 1.43 1.52 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.14 0.90 7.81 57 H 7.54 4.34 0.00 3.11 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.85 3.68 0.00 0.95 0.74 0.00 1.33 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 1.18 7.81 59 Y 6.47 4.60 0.00 3.13 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 60 E 8.31 4.22 0.00 1.91 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 2.24 2.30 0.00 61 N 7.91 4.58 0.00 2.78 2.73 0.00 0.00 6.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00