NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0379 8.0093 121.3580 60.3623 39.3424 175.6741 4 K 4.5213 7.5865 117.2470 54.4550 35.2859 170.4255 5 V 4.5040 8.9328 114.8952 59.9710 36.3452 177.1141 6 R 4.3772 8.1439 121.4607 54.6968 31.7866 174.7452 7 E 4.0714 8.1497 121.9569 55.7049 31.2500 177.8421 8 N 5.0549 7.7476 121.5406 53.4666 37.3123 177.2292 9 E 4.1595 9.0518 123.2312 58.5797 30.0787 174.6295 10 P 4.6565 0.0000 0.0000 61.8008 30.8328 174.1659 11 F 4.4849 7.7630 118.2679 58.0890 39.6732 172.4201 12 D 3.9237 7.8656 121.6920 53.7471 43.1122 175.8971 13 V 4.4344 7.8934 116.8675 59.9303 31.9706 174.6239 14 A 3.7073 8.0651 122.6874 53.1318 18.5916 178.3082 15 L 3.6507 7.8405 112.2302 55.2862 39.2863 175.9777 16 R 4.4063 7.1667 119.2049 55.2921 28.1837 175.3097 17 R 4.5145 7.8951 119.9979 55.7047 31.0603 178.4729 18 F 4.6131 8.1703 123.4413 60.5147 39.8856 176.8909 19 K 4.0978 8.0548 118.4274 57.3573 32.5800 177.6793 20 R 4.2577 7.4583 116.2240 56.4279 29.5979 177.1810 21 S 4.6346 8.0982 112.6138 58.8113 64.8493 173.8707 22 C 4.8181 7.7853 115.1709 61.0754 33.7450 173.2077 23 E 4.6080 7.9251 126.7316 55.6312 29.8691 175.5668 24 K 4.1704 8.4496 124.9806 57.7252 32.8773 177.6745 25 A 4.1557 8.7430 120.4898 53.8271 18.3361 179.8289 26 G 3.5291 8.3701 104.9180 47.4386 0.0000 174.9052 27 V 4.3647 7.5660 115.6386 61.7839 32.9769 176.5007 28 L 4.0062 8.7549 119.5447 57.6398 42.1179 178.6952 29 A 3.8053 7.3535 119.6587 54.2763 18.6623 178.4505 30 E 3.9805 7.7497 116.5338 58.6768 29.7206 177.4839 31 V 4.2566 6.9686 121.1991 61.1897 30.6473 174.6716 32 R 4.5645 7.8754 120.2466 55.0652 31.9509 173.9890 33 R 4.3145 8.0883 114.6833 57.3067 33.0613 173.0051 34 R 3.6133 7.6736 116.2898 53.3020 31.5785 177.1250 35 E 4.3079 9.0989 121.6588 58.2082 27.2177 179.2239 36 F 2.8899 7.1083 113.7983 53.8461 42.9925 180.1901 37 Y 3.3761 8.5294 122.7637 59.5703 35.9500 170.9633 38 E 4.5671 9.4736 124.2845 57.4563 30.6229 176.8806 39 K 4.4771 8.0810 120.4997 57.7173 34.4249 174.6217 40 P 4.0383 0.0000 0.0000 66.1918 30.7711 178.0132 41 T 3.9680 8.1344 108.3317 64.1809 68.4211 174.9625 42 T 4.4127 7.6285 111.1148 64.1803 70.2056 175.2757 43 E 3.9999 9.2574 121.7448 60.0065 29.0845 178.1308 44 R 4.4216 7.9539 117.9964 56.8677 30.5410 178.1776 45 K 4.1586 7.6446 121.4844 59.2280 32.7457 178.4431 46 R 4.0638 8.2403 118.0766 58.1098 29.8826 177.4178 47 A 4.2142 8.0217 119.7327 53.4212 18.5664 177.5528 48 K 4.4302 7.7638 115.6925 56.4395 34.4603 177.6796 49 A 4.0623 7.6001 121.3125 55.1379 18.4315 178.7463 50 S 4.2743 8.1073 110.8628 61.1153 63.8412 175.4522 51 A 4.3863 7.4677 123.4551 51.5409 16.0234 175.9334 52 V 4.3189 6.7117 119.1829 60.9596 34.6310 176.6256 53 K 4.1757 7.8081 125.1873 55.6666 32.8574 176.3313 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 3 I 8.01 4.04 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.83 0.00 0.00 4 K 7.59 4.52 0.00 1.84 1.69 0.00 1.41 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.53 7.81 5 V 8.93 4.50 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 0.92 0.00 0.00 0.97 0.00 0.00 6 R 8.14 4.38 0.00 1.70 1.80 0.00 3.19 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 7 E 8.15 4.07 0.00 1.16 1.12 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 1.86 1.47 0.00 8 N 7.75 5.05 0.00 2.69 2.30 0.00 0.00 6.98 7.66 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 9 E 9.05 4.16 0.00 2.12 2.12 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 2.30 2.33 0.00 10 P 0.00 4.66 0.00 2.24 2.19 0.00 3.69 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 1.95 2.09 0.00 11 F 7.76 4.48 0.00 3.21 3.07 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 0.00 0.00 0.00 0.00 12 D 7.87 3.92 0.00 2.41 2.51 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 0.00 0.00 0.00 13 V 7.89 4.43 2.11 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 0.90 0.00 0.00 1.00 0.00 0.00 14 A 8.07 3.71 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 15 L 7.84 3.65 0.00 1.83 1.81 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.17 4.41 0.00 1.77 1.89 0.00 3.34 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 17 R 7.90 4.51 0.00 1.87 1.90 0.00 3.14 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 18 F 8.17 4.61 0.00 3.03 2.93 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 19 K 8.05 4.10 0.00 1.86 1.84 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.40 7.81 20 R 7.46 4.26 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 21 S 8.10 4.63 0.00 3.88 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 22 C 7.79 4.82 0.00 2.97 2.83 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 23 E 7.93 4.61 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 24 K 8.45 4.17 0.00 1.86 1.18 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 25 A 8.74 4.16 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 26 G 8.37 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.36 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 1.10 0.00 0.00 0.90 0.00 0.00 28 L 8.75 4.01 0.00 1.79 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.35 3.81 1.28 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 0.00 0.00 30 E 7.75 3.98 0.00 1.78 2.03 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 2.24 2.09 0.00 31 V 6.97 4.26 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 0.83 0.00 0.00 0.92 0.00 0.00 32 R 7.88 4.56 0.00 1.93 1.85 0.00 3.35 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 33 R 8.09 4.31 0.00 1.77 1.80 0.00 3.28 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 34 R 7.67 3.61 0.00 1.74 1.79 0.00 3.19 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 35 E 9.10 4.31 0.00 2.09 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 0.00 2.36 2.34 0.00 36 F 7.11 2.89 0.00 2.98 3.10 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 37 Y 8.53 3.38 0.00 3.44 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 38 E 9.47 4.57 0.00 2.00 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 2.31 2.39 0.00 39 K 8.08 4.48 0.00 2.07 2.30 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.19 1.54 7.81 40 P 0.00 4.04 0.00 2.30 2.26 0.00 4.00 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 41 T 8.13 3.97 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 1.32 0.00 0.00 42 T 7.63 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 43 E 9.26 4.00 0.00 1.94 1.97 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 2.63 2.89 0.00 44 R 7.95 4.42 0.00 1.79 1.94 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 45 K 7.64 4.16 0.00 1.94 1.94 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 46 R 8.24 4.06 0.00 1.93 1.92 0.00 3.16 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 47 A 8.02 4.21 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 48 K 7.76 4.43 0.00 1.79 1.74 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 49 A 7.60 4.06 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 50 S 8.11 4.27 0.00 3.89 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 51 A 7.47 4.39 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 6.71 4.32 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 0.87 0.00 0.00 0.93 0.00 0.00 53 K 7.81 4.18 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.34 7.81