NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3911 8.1127 119.6565 56.1621 32.4988 173.6125 5 E 4.6924 8.3501 120.0121 53.2164 32.5154 173.0740 6 C 4.0962 9.6516 127.9410 59.9800 32.6684 173.5847 7 D 4.6923 8.5983 124.5027 55.2073 39.1511 175.6973 8 Y 4.4930 7.3177 118.0464 58.9942 41.6845 176.4396 9 C 3.9574 8.1662 113.8917 60.1077 30.6038 175.5656 10 G 3.9165 8.3450 107.2149 45.1103 0.0000 173.6745 11 T 4.2022 7.7241 109.6028 61.3738 70.3231 173.5077 12 D 4.8719 8.5760 122.3825 54.6169 41.7293 176.1085 13 I 4.2443 8.3249 124.4148 59.5418 38.0229 175.3470 14 E 3.8677 8.9729 129.0012 55.5313 29.6509 174.3331 15 P 4.3028 0.0000 0.0000 64.7341 31.4285 176.2085 16 G 3.8709 10.3036 109.2206 46.1442 0.0000 172.8653 17 T 4.5126 7.4918 113.4982 62.6438 72.8631 174.7302 18 G 4.1813 9.0363 107.7659 46.0043 0.0000 172.8336 19 T 4.7761 8.3678 114.6006 61.6508 72.4227 172.8754 20 M 5.0233 8.7361 124.5630 53.8987 34.2372 174.4234 21 F 4.8701 9.5590 129.9250 57.0569 41.4025 174.3845 22 V 4.4182 7.5855 126.2473 61.4341 32.3778 175.3669 23 H 4.1704 9.0636 125.9487 54.9016 29.5444 176.4378 24 K 3.7713 8.8402 122.5538 59.8753 31.7521 177.9213 25 D 4.4054 7.9527 115.4829 54.1421 39.5308 176.2903 26 G 3.8441 7.8092 106.3385 45.0500 0.0000 174.2100 27 A 4.2341 9.5272 123.8348 52.5325 19.7461 176.5766 28 T 5.0390 8.4124 115.7316 62.0481 71.8426 173.7896 29 T 4.6887 8.8913 122.2148 62.1408 72.0850 172.7712 30 H 5.1122 10.2829 125.7055 54.9898 30.7818 174.6557 31 F 5.3586 9.4371 121.3618 55.9579 41.8297 176.1660 32 C 4.3844 9.1599 116.8208 59.9549 30.4310 173.0926 33 S 4.6883 7.6726 113.6586 55.7660 65.8643 174.9075 34 S 4.8465 8.5246 116.5245 60.6542 62.6047 176.0317 35 K 3.7209 8.0077 122.8064 59.7068 31.8584 177.9917 36 C 4.1243 8.1555 116.5585 62.9677 28.0970 175.6230 37 E 2.7453 7.5484 119.5992 59.5689 29.0154 179.5522 38 N 4.1529 8.3485 116.1310 56.4230 38.4773 177.2934 39 N 4.3607 8.3867 117.8815 56.1024 38.6225 177.2511 40 A 4.2596 7.9657 122.5352 55.5164 18.3031 179.4277 41 D 4.4023 7.9688 116.1703 57.4094 40.9140 178.6864 42 L 4.1931 7.6023 118.0019 55.9075 41.7480 178.0405 43 G 4.0571 8.5027 107.5942 44.9136 0.0000 174.2961 44 R 4.1668 7.4271 118.7197 56.1087 30.9039 175.7232 45 E 4.5824 8.5242 120.0378 54.6521 31.4356 177.1074 46 A 3.3627 7.9154 127.1342 55.2036 18.6402 179.6289 47 R 3.8053 7.6641 113.6470 59.1846 30.1874 177.3423 48 N 4.4777 8.4042 113.0522 53.5616 39.0980 174.8040 49 L 4.5370 7.2379 119.6637 52.7264 42.2149 176.7071 50 E 3.9096 9.0705 124.8010 59.2280 29.4762 179.2150 51 W 4.3370 8.1008 113.5875 58.7783 28.6523 176.3551 52 T 3.6246 7.0869 118.0155 62.8985 68.2250 174.9878 53 D 4.3911 8.7808 126.5637 57.9345 40.8563 178.0411 54 T 3.7622 7.6238 114.7476 66.6342 68.7227 175.1354 55 A 3.9906 7.7260 123.6287 55.2915 18.6840 177.6041 56 R 4.0761 8.0715 118.7321 56.5851 30.0415 176.4108 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 4 R 8.11 4.39 0.00 1.78 1.91 0.00 3.02 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 5 E 8.35 4.69 0.00 1.93 1.74 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 2.12 2.46 0.00 6 C 9.65 4.10 0.00 3.08 2.88 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 7 D 8.60 4.69 0.00 2.63 2.60 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 8 Y 7.32 4.49 0.00 2.82 2.90 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 9 C 8.17 3.96 0.00 3.07 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 10 G 8.34 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 0.00 0.00 0.00 11 T 7.72 4.20 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 1.31 0.00 0.00 12 D 8.58 4.87 0.00 2.60 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 13 I 8.32 4.24 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.96 0.00 0.00 14 E 8.97 3.87 0.00 2.06 1.90 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 2.40 2.40 0.00 15 P 0.00 4.30 0.00 2.23 2.08 0.00 3.86 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 2.01 2.00 0.00 16 G 10.30 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 0.00 0.00 0.00 17 T 7.49 4.51 4.56 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 1.25 0.00 0.00 18 G 9.04 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 19 T 8.37 4.78 4.44 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 1.28 0.00 0.00 20 M 8.74 5.02 0.00 1.98 1.84 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 2.12 2.42 0.00 21 F 9.56 4.87 0.00 3.27 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 22 V 7.59 4.42 1.84 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 9.06 4.17 0.00 3.26 3.22 0.00 5.70 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 24 K 8.84 3.77 0.00 1.73 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 D 7.95 4.41 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 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 27 A 9.53 4.23 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 28 T 8.41 5.04 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 1.22 0.00 0.00 29 T 8.89 4.69 4.42 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 0.64 0.00 0.00 30 H 10.28 5.11 0.00 3.04 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.44 5.36 0.00 2.97 3.04 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 32 C 9.16 4.38 0.00 3.16 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 33 S 7.67 4.69 0.00 4.00 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 34 S 8.52 4.85 0.00 3.98 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 35 K 8.01 3.72 0.00 1.76 1.87 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.44 1.36 7.81 36 C 8.16 4.12 0.00 3.42 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 37 E 7.55 2.75 0.00 1.65 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 1.47 2.08 0.00 38 N 8.35 4.15 0.00 2.77 2.77 0.00 0.00 7.14 6.95 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 39 N 8.39 4.36 0.00 3.09 3.12 0.00 0.00 6.93 8.18 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 40 A 7.97 4.26 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 41 D 7.97 4.40 0.00 2.67 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 42 L 7.60 4.19 0.00 1.88 1.75 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.50 4.06 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 0.00 0.00 0.00 44 R 7.43 4.17 0.00 2.12 2.03 0.00 3.27 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 45 E 8.52 4.58 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 A 7.92 3.36 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 3.81 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.40 4.48 0.00 2.73 2.85 0.00 0.00 6.93 7.73 0.00 0.00 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 L 7.24 4.54 0.00 1.28 1.12 1.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.07 3.91 0.00 2.04 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 2.32 2.34 0.00 51 W 8.10 4.34 0.00 3.60 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 52 T 7.09 3.62 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 0.93 0.00 0.00 53 D 8.78 4.39 0.00 2.75 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 54 T 7.62 3.76 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 1.04 0.00 0.00 55 A 7.73 3.99 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 56 R 8.07 4.08 0.00 1.88 1.83 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00