NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9926 8.3393 109.7391 45.6822 0.0000 171.9868 2 S 4.3785 8.7482 111.2445 57.3802 64.8869 172.6471 3 S 4.5180 8.1845 112.3763 59.2995 65.3273 176.2785 4 G 3.4564 7.6712 110.3225 46.1790 0.0000 173.3166 5 S 3.9695 8.4057 115.7282 57.8766 63.1784 174.3699 6 S 4.1959 8.6784 123.9259 58.5030 63.1037 174.6177 7 G 3.9763 7.2518 107.4636 45.3289 0.0000 171.7455 8 Q 4.2706 7.4199 124.8199 54.1155 30.9345 173.6577 9 Y 5.2585 7.8259 122.0380 56.6869 40.3768 175.0239 10 F 5.3029 9.7140 121.7281 55.7748 43.8493 174.0358 11 V 4.6805 8.5947 120.4931 59.8042 34.3469 174.7943 12 A 4.4937 8.0263 125.6315 51.5195 18.5459 178.1526 13 L 3.8077 8.7331 123.7045 57.7633 42.2536 177.3015 14 F 5.0864 8.0049 114.3522 55.4934 43.3818 174.0351 15 D 4.9231 8.9723 119.3190 54.7849 42.6146 174.9742 16 Y 4.4647 8.3913 122.5029 56.6286 42.5747 172.8046 17 Q 4.5540 7.9223 128.2940 54.0796 30.3477 174.8405 18 A 4.2345 8.4677 130.2177 52.1972 19.3577 177.2099 19 R 4.0247 8.7465 122.7131 58.6151 30.5671 177.0113 20 T 4.5052 7.4438 106.2675 59.3654 71.3244 175.3155 21 A 3.9114 8.5770 124.3786 55.5436 18.7847 178.6472 22 E 4.0761 8.5198 115.1788 59.8461 29.6747 177.4328 23 D 4.9768 7.4606 116.8127 54.1869 41.5163 175.9349 24 L 4.8335 8.4342 124.6193 53.8886 43.5797 175.8425 25 S 5.2061 8.5207 119.6092 57.4147 65.7691 172.4370 26 F 4.9378 7.8757 114.6945 56.8973 41.2045 172.1716 27 R 5.1092 8.9128 117.2734 53.7428 34.7609 175.0488 28 A 4.3779 8.6976 122.8386 55.6807 18.0015 177.6486 29 G 3.9565 9.2460 113.2823 46.1675 0.0000 172.3079 30 D 4.8153 7.8126 119.6977 51.9007 42.5667 176.2339 31 K 4.2001 8.7652 124.1671 57.0172 33.2874 176.0117 32 L 4.9551 8.7262 125.4073 52.7973 45.4035 175.5010 33 Q 5.1094 8.4146 124.6644 54.4833 30.7390 174.6277 34 V 3.9308 8.8385 128.2538 63.4222 31.5409 174.9422 35 L 4.4406 9.1385 128.4033 56.3092 42.8454 176.1532 36 D 5.0339 7.9710 118.2291 52.0289 43.8598 175.9496 37 T 4.4524 8.1160 115.6275 61.5992 69.4799 173.8052 38 S 4.5758 8.1058 114.9966 59.2673 63.6953 174.6927 39 H 4.4089 7.7822 115.0044 55.6798 32.7312 173.5421 40 E 4.7258 9.1192 127.6358 53.4738 27.6224 177.0121 41 G 4.5353 7.1322 125.2175 46.9577 0.0000 169.3160 42 W 4.9379 6.9732 119.5362 53.9922 30.7564 175.3447 43 W 5.2820 9.2503 124.7714 54.9258 32.7391 175.0421 44 L 5.4041 9.1608 124.7733 53.4435 42.0074 175.1256 45 A 5.8881 8.7199 127.3511 49.0833 22.5288 174.5284 46 R 5.0902 8.2043 114.3221 54.3397 33.2555 174.8936 47 H 4.5762 9.2137 118.7483 56.1128 29.1866 175.4472 48 L 4.4107 8.2187 124.7313 56.3348 42.6605 177.5789 49 E 4.0177 8.1711 116.5261 56.0613 29.9045 176.9025 50 K 3.9129 8.7079 121.1868 56.8879 32.9351 176.2055 51 K 3.9530 8.5124 118.1867 56.3958 32.8497 178.4427 52 G 3.8399 8.4269 113.2802 45.4650 0.0000 171.9751 53 T 4.3816 8.3738 112.2067 61.8983 70.4570 173.1402 54 G 3.8241 8.7969 113.3821 44.1813 0.0000 173.8336 55 L 4.4018 8.2042 122.6729 52.5895 41.1482 175.9531 56 G 3.7004 8.4105 112.7393 45.9687 0.0000 171.4775 57 Q 4.1889 8.8062 123.9730 57.8108 29.4899 175.7698 58 Q 4.7726 7.8244 116.1758 53.9855 32.3428 174.3606 59 L 4.7303 8.5051 121.2759 55.8662 42.5874 175.7005 60 Q 4.9941 8.6019 114.6858 53.4967 32.5634 174.7343 61 G 3.8186 7.6121 104.1850 46.6253 0.0000 170.4693 62 Y 5.4282 7.5158 118.2643 57.6160 38.9695 175.3281 63 I 4.9894 9.3337 118.4482 58.0233 41.6989 173.2626 64 P 3.8876 0.0000 0.0000 62.2413 32.0544 177.2999 65 S 3.4907 8.1368 118.8955 61.0136 62.9419 175.7950 66 N 4.2287 7.8997 118.4290 56.4911 38.8429 175.2228 67 Y 4.1612 8.0264 114.3162 60.2419 38.1139 175.8850 68 V 4.8577 7.8985 111.8691 60.1705 35.0060 173.9525 69 A 4.8239 8.7432 121.5655 51.5909 23.0952 175.1651 70 E 3.6151 8.6221 118.0255 55.5037 29.6278 176.1966 71 D 4.7165 7.7245 126.1063 52.3376 41.9587 176.3128 72 S 4.0895 8.7004 120.4661 59.1260 63.2059 174.1379 73 G 4.1763 8.1725 110.7223 43.3270 0.0000 170.9167 74 P 4.3851 0.0000 0.0000 62.2952 30.9186 176.5414 75 S 4.2804 8.7284 119.0006 61.3310 63.2901 175.2959 76 S 4.5217 7.8672 116.2794 57.2061 63.6783 174.4220 77 G 3.7354 8.3739 111.0723 45.8449 0.0000 172.5322 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 3.99 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 0.00 0.00 0.00 2 S 8.75 4.38 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.52 0.00 3.95 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 7.67 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.41 3.97 0.00 3.84 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 6 S 8.68 4.20 0.00 3.85 3.74 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 7 G 7.25 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 8 Q 7.42 4.27 0.00 1.92 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 9 Y 7.83 5.26 0.00 2.90 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 10 F 9.71 5.30 0.00 2.97 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 11 V 8.59 4.68 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 0.96 0.00 0.00 0.92 0.00 0.00 12 A 8.03 4.49 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 3.81 0.00 1.25 0.82 1.09 0.53 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 14 F 8.00 5.09 0.00 2.87 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 15 D 8.97 4.92 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.46 0.00 2.73 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 17 Q 7.92 4.55 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 18 A 8.47 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.75 4.02 0.00 1.79 1.96 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 20 T 7.44 4.51 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 1.18 0.00 0.00 21 A 8.58 3.91 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 22 E 8.52 4.08 0.00 2.07 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 0.00 2.44 2.39 0.00 23 D 7.46 4.98 0.00 2.86 2.82 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 24 L 8.43 4.83 0.00 1.77 1.68 1.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.52 5.21 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 4.94 0.00 3.23 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 27 R 8.91 5.11 0.00 1.99 1.94 0.00 3.35 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 28 A 8.70 4.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.25 3.96 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 0.00 0.00 0.00 30 D 7.81 4.82 0.00 2.93 2.72 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 0.00 0.00 0.00 31 K 8.77 4.20 0.00 1.66 1.73 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.39 7.81 32 L 8.73 4.96 0.00 1.54 1.48 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.41 5.11 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 34 V 8.84 3.93 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 0.36 0.00 0.00 0.57 0.00 0.00 35 L 9.14 4.44 0.00 1.60 1.68 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.97 5.03 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 38 S 8.11 4.58 0.00 3.96 3.96 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 39 H 7.78 4.41 0.00 3.24 3.54 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.12 4.73 0.00 2.17 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 0.00 2.31 2.33 0.00 41 G 7.13 4.54 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 0.00 0.00 0.00 42 W 6.97 4.94 0.00 2.84 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 W 9.25 5.28 0.00 3.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.16 5.40 0.00 1.86 1.71 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.72 5.89 1.23 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 0.00 0.00 0.00 46 R 8.20 5.09 0.00 1.88 2.02 0.00 3.00 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 47 H 9.21 4.58 0.00 3.23 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.22 4.41 0.00 1.65 1.67 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.17 4.02 0.00 2.01 1.93 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 2.35 2.31 0.00 50 K 8.71 3.91 0.00 1.84 1.85 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.56 7.81 51 K 8.51 3.95 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.44 7.81 52 G 8.43 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 0.00 0.00 0.00 53 T 8.37 4.38 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 1.22 0.00 0.00 54 G 8.80 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 0.00 0.00 0.00 55 L 8.20 4.40 0.00 1.62 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.41 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 57 Q 8.81 4.19 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 58 Q 7.82 4.77 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 59 L 8.51 4.73 0.00 1.92 1.89 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.60 4.99 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 61 G 7.61 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 0.00 0.00 0.00 62 Y 7.52 5.43 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.33 4.99 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.11 0.00 0.00 64 P 0.00 3.89 0.00 1.84 1.02 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 65 S 8.14 3.49 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.23 0.00 2.55 2.89 0.00 0.00 6.82 7.40 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 67 Y 8.03 4.16 0.00 3.41 3.35 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 0.00 0.00 0.00 68 V 7.90 4.86 2.31 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 0.49 0.00 0.00 1.01 0.00 0.00 69 A 8.74 4.82 1.27 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 0.00 0.00 70 E 8.62 3.62 0.00 1.69 1.67 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 0.00 1.47 2.04 0.00 71 D 7.72 4.72 0.00 2.50 2.56 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 0.00 0.00 0.00 0.00 72 S 8.70 4.09 0.00 3.99 3.87 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 0.00 0.00 0.00 0.00 73 G 8.17 4.18 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 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.21 2.13 0.00 3.79 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 1.99 1.95 0.00 75 S 8.73 4.28 0.00 4.00 4.03 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 76 S 7.87 4.52 0.00 3.89 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 77 G 8.37 3.74 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 0.00 0.00 0.00