NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1729 7.8827 121.0491 60.9760 40.3236 172.9920 2 V 5.2990 8.2235 121.5675 60.0228 34.3174 172.7287 3 C 5.3101 9.4096 124.7128 55.3627 45.3127 171.6645 4 H 5.3755 8.7617 117.4327 55.1111 29.6108 175.0739 5 T 4.7254 9.5758 118.0969 60.1666 70.8679 173.9458 6 T 4.7732 8.2413 113.5543 61.2887 69.7647 174.7567 7 A 4.1769 8.1858 127.2793 55.4684 18.9508 179.2145 8 T 4.1766 7.4802 104.4852 61.3166 69.7119 173.1911 9 S 4.1163 7.6623 115.5981 60.4112 62.7145 173.9814 10 P 4.6593 0.0000 0.0000 61.5301 32.8560 174.8687 11 I 4.5169 7.9717 112.7030 60.3121 38.8192 175.1641 12 S 4.7796 8.6005 119.0064 57.1601 67.0164 172.0150 13 A 5.7524 8.7456 119.9081 49.7893 21.9353 175.8504 14 V 4.5283 8.2264 120.6987 60.2488 35.6686 173.7826 15 T 5.4793 8.1609 116.9950 61.3538 69.4690 175.7610 16 C 4.4207 8.8610 124.8869 56.4098 36.0914 172.5217 17 P 4.4542 0.0000 0.0000 61.6343 32.1167 174.5276 18 P 4.8781 0.0000 0.0000 62.0403 28.5756 174.2568 19 G 4.2493 7.5874 111.3257 46.5046 0.0000 171.5736 20 E 4.7675 7.9409 118.8906 54.3638 31.7242 175.4453 21 N 5.0149 8.7483 117.9458 52.7395 41.4286 174.3145 22 L 4.8609 8.3307 118.7075 53.3450 45.0793 174.8251 23 C 5.4775 8.7397 117.8500 55.5843 38.3725 172.4544 24 Y 5.5547 8.7033 117.2947 55.7478 41.5775 174.4106 25 R 5.2073 9.0221 121.1600 53.6550 33.2494 173.8259 26 K 4.9706 8.8903 128.1420 56.1589 34.5857 175.2243 27 M 6.1784 8.9910 124.7433 53.6221 36.8794 174.0973 28 W 4.4753 9.0294 115.5497 55.6423 31.3175 173.8684 29 C 4.8318 9.3387 123.2229 57.2679 38.5422 173.4908 30 D 4.0752 9.7281 125.4944 51.7526 40.3577 175.1196 31 A 4.0367 7.3526 125.7914 51.6271 19.0279 177.4670 32 F 4.9039 11.2007 113.2620 56.9780 42.7892 176.3759 33 C 3.8950 8.8132 123.8362 59.9352 43.6057 175.4823 34 S 4.1186 8.0238 114.5164 61.2284 62.0687 174.5223 35 S 4.2492 6.7883 114.8499 59.9890 63.0215 176.3137 36 R 3.9967 7.6605 124.7636 53.9584 31.4249 182.0182 37 G 3.7696 8.2685 109.5685 45.0982 0.0000 172.8841 38 K 4.2346 8.6826 124.2222 56.1116 31.9564 176.1657 39 V 3.8449 9.4762 126.3930 62.8059 32.7492 174.8114 40 V 4.8338 8.5417 127.6227 61.4185 32.8726 174.2356 41 E 4.9977 9.1632 128.6094 54.5960 32.9188 174.4391 42 L 4.8946 8.7167 123.2735 52.8392 45.9913 175.9686 43 G 3.4054 6.9248 108.9112 46.0576 0.0000 171.2965 44 C 5.2124 8.5728 120.1823 55.7198 45.4703 172.1906 45 A 4.7517 9.3206 122.6813 51.2368 22.0895 177.6472 46 A 3.9604 8.8332 123.6048 54.6125 18.9253 177.5251 47 T 4.6143 7.4282 102.9337 60.5181 72.0154 174.2299 48 C 4.5582 8.3689 121.8965 54.0341 42.4882 171.0640 49 P 4.4229 0.0000 0.0000 61.6017 32.0377 175.9614 50 S 4.3508 8.2132 114.5891 59.3146 63.1036 173.6692 51 K 4.2286 7.7794 115.4658 56.5311 34.6416 175.1287 52 K 4.2723 8.1285 121.7995 55.0805 33.0325 176.0207 53 P 4.1643 0.0000 0.0000 65.7276 30.6775 176.4889 54 Y 4.6858 6.5863 114.1966 59.9810 38.5581 176.6427 55 E 4.1193 7.9724 126.7813 56.3061 28.1164 175.9565 56 E 4.7165 8.3818 121.4790 54.7187 32.6769 175.2054 57 V 4.9388 8.0231 114.4897 59.9505 35.4698 175.0169 58 T 4.4134 9.0959 117.1069 60.8893 70.1066 173.0343 59 C 6.1364 9.0625 124.2266 54.7195 42.4902 172.0209 60 C 5.2461 8.7144 116.4053 52.9436 45.4000 173.7463 61 S 5.0263 8.1010 112.0829 56.9699 62.3311 172.9740 62 T 4.5953 7.1244 114.6168 62.8765 72.8747 173.7758 63 D 4.5494 8.5758 122.7194 55.0420 41.8983 175.7497 64 K 3.5615 8.1907 121.6109 57.8760 32.0836 173.0199 65 C 4.5326 8.1367 114.5294 57.1901 43.2130 173.2256 66 N 4.9075 7.8005 118.3092 51.1016 36.4503 172.2191 67 P 4.5145 0.0000 0.0000 62.2716 33.4666 175.9722 68 H 4.1484 8.5699 118.8858 55.8754 30.1565 174.4916 69 P 4.2547 0.0000 0.0000 64.9400 31.2909 177.0924 70 K 4.6643 7.7606 115.7396 55.9049 32.9328 176.0368 71 Q 4.1273 8.0717 118.5682 55.5215 29.1243 176.4531 72 R 3.9852 8.3993 122.9445 55.5141 30.6408 174.6480 73 P 4.4866 0.0000 0.0000 62.2314 32.4369 176.4630 74 G 3.4155 8.7066 106.6766 45.2603 0.0000 173.3887 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 I 7.88 4.17 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 1.28 1.27 0.97 0.00 0.00 2 V 8.22 5.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 3 C 9.41 5.31 0.00 2.77 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 4 H 8.76 5.38 0.00 3.17 3.17 0.00 5.59 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 5 T 9.58 4.73 4.20 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 1.23 0.00 0.00 6 T 8.24 4.77 4.28 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 1.24 0.00 0.00 7 A 8.19 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 8 T 7.48 4.18 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 9 S 7.66 4.12 0.00 3.82 3.86 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 10 P 0.00 4.66 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 11 I 7.97 4.52 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.90 0.00 0.00 12 S 8.60 4.78 0.00 3.84 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 13 A 8.75 5.75 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 14 V 8.23 4.53 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 0.87 0.00 0.00 0.92 0.00 0.00 15 T 8.16 5.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 16 C 8.86 4.42 0.00 3.04 3.19 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 0.00 0.00 0.00 0.00 17 P 0.00 4.45 0.00 2.21 2.21 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 18 P 0.00 4.88 0.00 2.20 2.15 0.00 3.80 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 1.97 0.00 19 G 7.59 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 0.00 0.00 0.00 0.00 20 E 7.94 4.77 0.00 1.87 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 2.26 2.29 0.00 21 N 8.75 5.01 0.00 2.54 2.81 0.00 0.00 6.92 7.85 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 22 L 8.33 4.86 0.00 1.76 1.76 0.96 1.11 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 23 C 8.74 5.48 0.00 2.81 2.99 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 24 Y 8.70 5.55 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.02 5.21 0.00 1.92 1.85 0.00 3.15 0.00 0.00 3.35 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 26 K 8.89 4.97 0.00 1.90 1.71 0.00 1.72 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.39 1.31 7.81 27 M 8.99 6.18 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 28 W 9.03 4.48 0.00 3.48 3.27 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 29 C 9.34 4.83 0.00 2.83 3.06 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 0.00 0.00 0.00 0.00 30 D 9.73 4.08 0.00 2.40 2.40 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 31 A 7.35 4.04 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 F 11.20 4.90 0.00 2.91 3.05 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 0.00 0.00 0.00 33 C 8.81 3.89 0.00 2.90 3.14 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 34 S 8.02 4.12 0.00 3.62 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 35 S 6.79 4.25 0.00 2.95 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 36 R 7.66 4.00 0.00 2.14 1.85 0.00 3.39 0.00 0.00 3.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.68 0.00 37 G 8.27 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 0.00 0.00 0.00 38 K 8.68 4.23 0.00 1.81 1.95 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 39 V 9.48 3.84 2.57 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 1.22 0.00 0.00 0.38 0.00 0.00 40 V 8.54 4.83 2.25 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 0.76 0.00 0.00 0.94 0.00 0.00 41 E 9.16 5.00 0.00 2.25 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 2.42 2.44 0.00 42 L 8.72 4.89 0.00 1.46 1.44 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.92 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 0.00 0.00 0.00 44 C 8.57 5.21 0.00 2.94 2.99 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 45 A 9.32 4.75 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 46 A 8.83 3.96 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 47 T 7.43 4.61 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 48 C 8.37 4.56 0.00 2.95 3.05 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 0.00 0.00 0.00 49 P 0.00 4.42 0.00 2.15 2.03 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 50 S 8.21 4.35 0.00 3.84 3.86 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 51 K 7.78 4.23 0.00 1.75 1.67 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.20 1.34 7.81 52 K 8.13 4.27 0.00 1.84 1.75 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.41 7.81 53 P 0.00 4.16 0.00 1.56 1.93 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 54 Y 6.59 4.69 0.00 3.21 2.99 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 55 E 7.97 4.12 0.00 1.76 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 56 E 8.38 4.72 0.00 2.06 1.85 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 2.25 2.43 0.00 57 V 8.02 4.94 2.02 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 0.72 0.00 0.00 0.79 0.00 0.00 58 T 9.10 4.41 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 1.24 0.00 0.00 59 C 9.06 6.14 0.00 2.90 3.19 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 0.00 0.00 0.00 0.00 60 C 8.71 5.25 0.00 2.95 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 61 S 8.10 5.03 0.00 3.96 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 62 T 7.12 4.60 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 63 D 8.58 4.55 0.00 2.62 2.55 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 0.00 0.00 0.00 64 K 8.19 3.56 0.00 2.11 1.98 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.37 7.81 65 C 8.14 4.53 0.00 3.11 3.33 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 66 N 7.80 4.91 0.00 2.90 2.86 0.00 0.00 6.01 7.87 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 67 P 0.00 4.51 0.00 2.17 2.02 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 68 H 8.57 4.15 0.00 3.16 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.25 0.00 2.03 2.10 0.00 3.20 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 70 K 7.76 4.66 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 71 Q 8.07 4.13 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 72 R 8.40 3.99 0.00 1.76 1.83 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 73 P 0.00 4.49 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 74 G 8.71 3.42 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 0.00