NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.3049 120.3480 55.1856 33.8631 176.3237 2 L 3.9891 7.6849 119.1811 53.8294 43.7322 173.6346 3 S 3.8045 8.4537 107.2258 60.7521 60.0486 170.7044 4 V 3.3702 7.2970 123.6335 65.9543 32.9174 176.6878 5 A 4.0527 8.2818 122.1046 55.2482 18.3112 179.4578 6 A 4.0611 7.8253 116.3082 54.6901 18.6446 178.3695 7 R 3.9686 8.0039 113.7110 56.2057 29.8201 172.0852 8 S 3.6097 8.3212 119.6208 57.8788 63.9328 168.7658 9 G 3.9838 8.2271 119.3164 45.2364 0.0000 172.0451 10 P 4.5672 0.0000 0.0000 61.3848 32.3602 176.4049 11 F 4.2559 8.4777 118.6839 57.4741 40.5157 175.9561 12 A 4.6031 8.6967 122.6373 49.9650 20.8601 173.0621 13 P 4.9285 0.0000 0.0000 63.0079 32.7222 176.0837 14 V 4.4930 8.7489 123.3260 60.9904 34.4171 174.0385 15 L 5.1345 8.5127 128.2004 53.6774 45.1034 174.6774 16 S 4.5463 8.3615 116.1568 57.4010 65.7996 173.6382 17 A 4.3686 8.6058 124.2704 54.1382 19.3542 178.1630 18 T 4.2930 7.7442 107.3571 63.0512 68.8120 174.5291 19 S 4.6197 7.7038 116.0018 57.4489 65.0843 172.9206 20 R 4.6362 8.1173 118.8635 54.4001 32.4187 176.0925 21 G 3.7149 8.5806 107.6780 46.7482 0.0000 173.0055 22 V 4.6808 8.8066 125.8772 60.9382 34.7757 174.5390 23 A 4.7331 8.4451 127.2208 50.6154 21.1421 176.7856 24 G 4.3598 8.5700 106.4209 46.0143 0.0000 172.5976 25 A 4.7130 6.5604 129.5044 52.1812 22.2465 177.0907 26 L 4.6561 7.3163 113.9652 54.3620 44.9295 176.1568 27 R 4.7086 7.8742 119.7103 55.3569 34.0504 172.2244 28 P 4.5295 0.0000 0.0000 61.9452 32.4262 177.1087 29 L 5.3130 8.3385 130.9613 56.9266 41.9959 175.7341 30 V 3.6051 7.3736 118.1295 65.9888 31.3526 176.4481 31 Q 4.4154 7.9219 116.2226 56.2718 28.9154 175.9264 32 A 4.6232 8.0263 119.8924 51.7067 20.6130 178.0746 33 A 4.1554 7.5776 116.4755 53.8949 18.3807 178.4927 34 V 3.7195 7.1219 115.7337 64.6004 32.1601 174.4358 35 P 4.2381 0.0000 0.0000 62.6308 30.3243 176.2374 36 A 4.5152 7.9296 126.9896 51.0903 20.2368 176.7492 37 T 3.6372 8.5598 113.5720 64.4329 66.0291 173.3260 38 S 4.6240 7.8202 119.0575 56.8453 62.8896 176.2707 39 E 4.4791 8.1596 134.3843 55.0184 28.8722 176.7074 40 S 5.4842 8.3221 113.2547 55.9605 63.3379 174.1743 41 P 4.5668 0.0000 0.0000 62.4621 32.7678 176.2565 42 V 4.3664 7.4444 114.7763 62.3416 31.4644 175.4310 43 L 3.5071 7.6438 120.4700 55.5776 38.2042 174.3749 44 D 4.7530 8.2561 119.6772 53.5908 42.8918 178.6387 45 L 3.8008 6.8080 121.1963 55.5233 39.0159 177.0791 46 K 4.7157 7.0364 128.1814 55.2626 34.0434 175.9900 47 R 4.3178 8.1796 124.0396 55.3435 35.4386 176.6626 48 S 5.0254 8.8660 108.8493 58.1657 64.6455 177.5634 49 V 4.0608 8.2023 123.8952 62.4955 33.0159 174.0562 50 L 4.2055 8.5142 123.0338 53.5719 39.6609 174.2278 51 C 3.9848 7.8288 118.4734 58.5086 31.9431 171.8840 52 R 4.7333 9.0944 120.3303 54.3604 33.1470 173.8855 53 E 4.9228 7.8378 126.3809 56.2602 31.2210 176.9216 54 S 4.8572 7.2663 112.5186 56.9398 67.4785 174.1840 55 L 4.4340 7.1240 128.4291 54.7293 47.3265 178.0193 56 R 4.6654 7.8374 116.8286 56.9818 31.7632 173.3313 57 G 3.7425 8.4206 105.3436 45.3710 0.0000 171.8475 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 M 8.30 4.41 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.68 3.99 0.00 1.75 1.64 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.45 3.80 0.00 4.02 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 V 7.30 3.37 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 0.82 0.00 0.00 0.93 0.00 0.00 5 A 8.28 4.05 1.29 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 0.00 0.00 0.00 6 A 7.83 4.06 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 7 R 8.00 3.97 0.00 1.77 2.12 0.00 3.39 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 8 S 8.32 3.61 0.00 4.02 3.80 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 0.00 0.00 0.00 9 G 8.23 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 10 P 0.00 4.57 0.00 2.05 2.00 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 11 F 8.48 4.26 0.00 3.01 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 12 A 8.70 4.60 1.24 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 0.00 0.00 0.00 13 P 0.00 4.93 0.00 1.97 1.99 0.00 3.67 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 2.04 2.10 0.00 14 V 8.75 4.49 2.10 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 0.96 0.00 0.00 0.95 0.00 0.00 15 L 8.51 5.13 0.00 1.66 1.49 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.36 4.55 0.00 3.82 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 17 A 8.61 4.37 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 18 T 7.74 4.29 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 1.23 0.00 0.00 19 S 7.70 4.62 0.00 3.90 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 20 R 8.12 4.64 0.00 1.77 1.82 0.00 3.29 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 21 G 8.58 3.71 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 0.00 0.00 0.00 22 V 8.81 4.68 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 1.08 0.00 0.00 1.01 0.00 0.00 23 A 8.45 4.73 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.57 4.36 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 0.00 25 A 6.56 4.71 0.69 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 0.00 0.00 26 L 7.32 4.66 0.00 1.70 1.45 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.87 4.71 0.00 1.62 1.80 0.00 3.30 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 1.51 1.49 0.00 28 P 0.00 4.53 0.00 2.04 1.99 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 29 L 8.34 5.31 0.00 1.80 1.67 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.37 3.61 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 0.94 0.00 0.00 0.93 0.00 0.00 31 Q 7.92 4.42 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 32 A 8.03 4.62 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 33 A 7.58 4.16 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 34 V 7.12 3.72 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 0.93 0.00 0.00 35 P 0.00 4.24 0.00 2.08 2.03 0.00 3.84 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 2.02 2.08 0.00 36 A 7.93 4.52 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 37 T 8.56 3.64 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 38 S 7.82 4.62 0.00 3.90 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 39 E 8.16 4.48 0.00 1.93 1.58 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 2.29 2.30 0.00 40 S 8.32 5.48 0.00 4.13 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 41 P 0.00 4.57 0.00 2.06 2.25 0.00 3.62 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 2.02 2.06 0.00 42 V 7.44 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 43 L 7.64 3.51 0.00 1.85 1.73 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.26 4.75 0.00 2.66 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 45 L 6.81 3.80 0.00 1.66 1.63 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.04 4.72 0.00 1.99 0.98 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.38 7.81 47 R 8.18 4.32 0.00 1.74 1.28 0.00 3.56 0.00 0.00 3.28 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 48 S 8.87 5.03 0.00 4.05 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 49 V 8.20 4.06 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 0.85 0.00 0.00 0.94 0.00 0.00 50 L 8.51 4.21 0.00 1.84 1.96 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.83 3.98 0.00 3.10 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 52 R 9.09 4.73 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 53 E 7.84 4.92 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 54 S 7.27 4.86 0.00 3.91 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 55 L 7.12 4.43 0.00 1.56 0.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.84 4.67 0.00 1.91 1.48 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 57 G 8.42 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