NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2100 8.1801 120.6287 54.4205 43.0449 175.9759 2 A 4.0007 8.4983 126.9332 51.0686 18.9974 175.6794 3 A 4.1579 9.5831 128.2278 54.6831 19.7250 176.0709 4 V 4.6364 7.3246 106.0084 59.9111 35.4815 174.4497 5 S 4.5593 8.1887 114.4167 57.6834 65.5168 173.3744 6 V 4.4748 7.8551 113.2500 59.1287 34.5617 176.1092 7 D 4.5832 8.5451 120.8094 54.7379 39.1210 176.0167 8 C 5.0348 8.3482 124.0568 56.5275 41.0182 176.7533 9 S 4.0754 8.0556 118.3043 61.4111 62.4380 175.2833 10 E 4.5208 8.2642 117.0296 56.1801 29.0971 174.9961 11 Y 4.3162 7.3798 116.3830 55.1279 40.3100 173.8828 12 P 4.7044 0.0000 0.0000 62.8496 31.6236 176.2623 13 K 4.5933 8.9608 119.0179 53.9682 35.6654 176.3466 14 P 4.3523 0.0000 0.0000 65.0990 31.5573 176.1109 15 A 4.7603 7.2211 115.4377 51.0005 22.3359 174.2585 16 C 5.1299 8.3810 115.8639 55.2782 43.9907 174.4717 17 T 4.3679 8.2788 112.3014 61.4604 69.8499 174.3088 18 M 4.4874 8.3465 118.8272 54.8511 32.1791 176.5891 19 E 4.0027 8.0856 117.5790 56.8752 29.9576 176.5788 20 Y 4.7221 8.4275 123.4810 56.5246 38.2079 174.7261 21 R 4.6194 8.7290 127.5314 53.2322 30.4407 173.0146 22 P 4.5563 0.0000 0.0000 62.7703 33.4302 176.8009 23 L 4.8681 8.8019 120.7836 53.1609 46.2242 174.4492 24 C 5.0710 8.8610 124.1333 54.8732 45.0043 173.5385 25 G 4.6038 9.3926 114.7190 45.7602 0.0000 174.5402 26 S 4.3405 9.3467 115.8843 60.0877 63.0484 174.7859 27 D 4.5967 8.1171 119.5526 52.9056 39.5537 175.5895 28 N 4.2640 8.2782 117.2274 54.8976 37.9064 173.3251 29 K 4.5526 8.0827 115.0703 54.4587 34.7386 175.8049 30 T 4.7454 8.2800 121.0032 63.0873 69.4852 173.7346 31 Y 4.3781 9.1560 125.8289 56.5388 39.1603 177.4426 32 G 3.7728 9.1363 113.5969 48.5934 0.0000 172.3736 33 N 5.0619 7.6147 116.7214 51.5913 40.7602 175.1172 34 K 3.9179 8.4145 121.2770 59.8329 32.1719 179.1593 35 C 4.4004 8.1751 119.6492 59.1497 40.7415 175.0573 36 N 4.3515 8.7531 118.2361 56.1585 38.0458 177.1351 37 F 3.3748 8.1770 121.9624 61.4816 39.5200 176.6901 38 C 3.8266 8.2785 116.1142 59.2762 38.1923 175.8221 39 N 4.3107 7.9681 118.3742 56.3445 38.1157 177.2198 40 A 3.9404 7.6743 122.0959 54.7365 18.2989 179.8192 41 V 3.1691 7.2775 117.1226 65.9388 31.4869 178.4662 42 V 3.4964 7.5031 117.7586 66.2085 31.2412 177.6673 43 E 3.9719 8.2154 117.4778 59.2679 29.7103 178.7077 44 S 4.4033 8.1769 111.9990 57.4970 63.2475 173.8222 45 N 4.0861 8.8423 119.7178 55.0536 37.5120 174.8332 46 G 3.9146 8.5325 103.1087 45.4389 0.0000 175.6233 47 T 3.9523 7.5239 110.9986 63.8979 69.0696 175.3160 48 L 4.0296 7.7641 124.7141 54.9316 42.6537 175.6703 49 T 4.8272 8.5398 115.1592 59.3954 72.8685 172.4968 50 L 4.2240 8.5067 124.4160 55.2094 42.0806 176.2258 51 S 4.4027 8.8533 122.7395 60.7763 62.5476 173.4148 52 H 4.6862 7.3057 112.6728 54.2475 31.4814 172.5167 53 F 4.2025 8.5583 118.5436 58.7353 39.3140 176.5735 54 G 4.0948 8.3981 108.9154 44.7933 0.0000 173.4273 55 K 4.1254 8.1326 117.8410 56.5965 33.1654 177.8137 56 C 4.5200 8.6493 117.2486 57.5706 41.0180 173.7619 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 L 8.18 4.21 0.00 1.65 1.68 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.50 4.00 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 3 A 9.58 4.16 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 4 V 7.32 4.64 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.85 0.00 0.00 5 S 8.19 4.56 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 4.47 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 0.74 0.00 0.00 0.97 0.00 0.00 7 D 8.55 4.58 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 5.03 0.00 2.99 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 9 S 8.06 4.08 0.00 3.99 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 10 E 8.26 4.52 0.00 1.85 1.88 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 2.28 2.36 0.00 11 Y 7.38 4.32 0.00 3.18 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 12 P 0.00 4.70 0.00 2.04 2.02 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 13 K 8.96 4.59 0.00 1.69 1.51 0.00 1.09 0.00 0.00 1.38 0.00 0.00 2.56 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.94 0.32 7.81 14 P 0.00 4.35 0.00 2.04 2.11 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 15 A 7.22 4.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.38 5.13 0.00 2.99 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 17 T 8.28 4.37 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 18 M 8.35 4.49 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 19 E 8.09 4.00 0.00 2.12 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 2.33 2.34 0.00 20 Y 8.43 4.72 0.00 2.93 2.98 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 21 R 8.73 4.62 0.00 1.61 1.74 0.00 3.33 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 22 P 0.00 4.56 0.00 2.07 1.92 0.00 3.22 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.13 0.00 23 L 8.80 4.87 0.00 1.41 1.01 0.61 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.86 5.07 0.00 2.99 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.39 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.35 4.34 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.60 0.00 2.86 2.87 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 28 N 8.28 4.26 0.00 2.86 2.96 0.00 0.00 7.01 7.28 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 29 K 8.08 4.55 0.00 2.01 1.10 0.00 1.75 0.00 0.00 1.04 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.33 7.81 30 T 8.28 4.75 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 1.28 0.00 0.00 31 Y 9.16 4.38 0.00 3.05 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 32 G 9.14 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 33 N 7.61 5.06 0.00 2.98 3.10 0.00 0.00 6.36 6.94 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 34 K 8.41 3.92 0.00 1.86 1.89 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.51 7.81 35 C 8.18 4.40 0.00 3.22 3.36 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 36 N 8.75 4.35 0.00 3.09 3.10 0.00 0.00 6.66 7.74 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 37 F 8.18 3.37 0.00 2.80 2.98 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 38 C 8.28 3.83 0.00 1.45 1.88 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 39 N 7.97 4.31 0.00 3.02 2.90 0.00 0.00 6.74 7.29 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 40 A 7.67 3.94 1.18 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 41 V 7.28 3.17 1.87 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 0.89 0.00 0.00 0.03 0.00 0.00 42 V 7.50 3.50 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 43 E 8.22 3.97 0.00 2.05 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 2.35 2.44 0.00 44 S 8.18 4.40 0.00 4.00 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 45 N 8.84 4.09 0.00 2.85 2.89 0.00 0.00 7.16 7.50 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 46 G 8.53 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 0.00 0.00 0.00 47 T 7.52 3.95 4.22 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.03 0.00 1.48 1.34 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.54 4.83 4.26 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 1.21 0.00 0.00 50 L 8.51 4.22 0.00 1.37 1.58 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 4.40 0.00 3.92 3.95 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 52 H 7.31 4.69 0.00 3.25 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.56 4.20 0.00 3.01 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 54 G 8.40 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 0.00 0.00 0.00 55 K 8.13 4.13 0.00 1.94 1.91 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.48 7.81 56 C 8.65 4.52 0.00 3.01 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