NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3596 8.1233 123.5804 52.4111 21.3078 178.7150 2 D 4.2960 7.8067 114.6457 56.7401 41.2531 176.7695 3 T 3.9108 8.1396 116.6128 65.9521 68.6017 175.3536 4 L 3.9191 7.8182 121.2143 58.8468 42.0724 179.0647 5 E 4.0753 7.9734 117.6080 59.7304 29.4934 179.2339 6 R 3.9468 8.4440 118.8196 59.6398 30.0230 178.4991 7 V 3.7960 9.0232 118.1404 66.5843 31.5363 178.2233 8 T 3.8815 9.0774 116.4475 66.5927 68.3413 176.4793 9 K 4.0055 8.3960 121.8481 59.3840 31.9746 179.0638 10 I 3.7183 7.6597 119.2280 64.8282 37.4110 177.9079 11 I 3.8549 8.8807 121.7098 64.5657 36.9400 178.1555 12 V 3.5335 8.2485 118.3274 66.8003 31.2213 177.7438 13 D 4.4298 8.0077 117.1874 56.8545 41.3301 177.4156 14 R 4.1800 8.4004 117.8516 57.4423 30.2650 177.2896 15 L 4.3298 8.4652 127.4312 56.9988 42.7454 177.9807 16 G 4.0247 7.9594 107.7796 45.6290 0.0000 174.4675 17 V 3.4847 7.1475 117.7295 62.5534 31.7504 171.6423 18 D 4.8136 8.2481 116.5897 54.0836 42.1254 175.9125 19 E 3.6427 7.5677 119.8809 54.7554 26.7575 173.7511 20 A 5.0372 7.6819 134.7113 53.4564 19.8256 178.8676 21 D 4.4006 8.2197 114.7628 57.0504 41.0221 177.9374 22 V 3.4497 6.9096 117.2650 61.8989 31.5649 176.0241 23 K 4.5257 8.1271 122.6252 55.2780 36.0692 176.4977 24 L 4.1663 8.9163 125.0750 57.9780 41.7214 178.5735 25 E 4.0783 8.1961 113.6743 58.0287 30.0809 176.8727 26 A 4.3678 7.5927 123.7910 51.9344 19.2712 178.0564 27 S 4.4510 8.6508 115.2204 58.4593 63.4337 174.2734 28 F 3.5164 7.6787 117.5446 57.7733 36.5991 174.5736 29 K 5.2444 7.8414 124.1447 57.9065 37.2284 176.5005 30 E 4.3554 8.2374 115.2564 56.3342 30.9107 176.1947 31 D 4.4061 7.8006 119.2491 55.7768 41.7478 176.2443 32 L 4.3915 7.6853 117.6565 54.5726 40.8924 176.6615 33 G 3.9602 7.9925 106.9473 45.8469 0.0000 172.5442 34 A 4.7631 7.3936 125.1125 50.3241 22.7393 175.3171 35 D 4.9064 8.4160 120.1124 53.5070 42.0965 177.7690 36 S 4.1106 8.9281 117.8757 62.2817 62.0004 175.8690 37 L 4.0952 7.9878 121.5802 57.1104 41.3525 178.3998 38 D 4.1603 8.1306 118.2601 58.6140 41.0038 178.4331 39 V 3.8665 8.4157 118.8469 66.0720 31.4300 177.9138 40 V 3.6100 8.1154 118.1788 65.9098 31.6150 178.5197 41 E 4.0246 9.0482 119.9354 59.1021 29.3672 179.1456 42 L 4.0576 8.2499 120.4395 58.7121 40.6438 179.3906 43 V 3.7144 7.6048 118.1344 65.2364 31.2722 178.0782 44 M 4.0074 7.7875 118.6575 58.5785 31.7518 178.4308 45 E 3.9989 7.7267 117.0851 59.0079 29.7861 179.0181 46 L 4.0903 7.7511 120.6124 58.0387 42.1580 178.7619 47 E 4.1230 8.1880 117.4557 59.4020 29.4707 178.6382 48 D 3.8769 7.8098 119.4762 56.3835 40.7476 178.6272 49 E 3.6898 7.6600 118.6146 59.2136 29.3498 177.9718 50 F 4.6474 7.4156 113.1717 56.5027 39.2250 175.0712 51 D 4.3604 7.4207 121.7236 54.8578 37.5273 172.2240 52 M 4.9871 9.4907 122.4563 53.6998 36.1512 175.1911 53 E 4.6162 8.3055 116.7645 56.1474 30.2379 176.7606 54 I 3.6988 6.8922 118.6999 61.1989 37.2483 176.5602 55 S 4.6564 8.1496 121.6918 56.5550 64.5069 174.9000 56 D 4.6775 8.5049 120.5870 57.3045 40.7265 178.9486 57 E 3.8016 8.0545 117.1333 59.4495 29.3042 177.2273 58 D 4.4835 8.7318 121.6839 55.4070 40.4208 177.5928 59 A 3.8994 7.8781 127.0195 55.3551 18.7026 178.9503 60 E 4.0862 7.4115 116.5062 58.8711 30.1386 177.9709 61 K 4.1380 8.0654 117.7069 56.9729 32.8119 176.7639 62 I 3.7413 8.1903 119.3313 60.9702 38.4565 175.1720 63 A 4.1226 8.6616 129.0905 55.5261 18.5173 177.7926 64 T 4.1760 7.4534 102.0229 59.6838 71.0285 173.8654 65 V 3.3494 8.0738 122.2230 66.2680 30.9355 178.3790 66 G 3.6793 8.0452 104.5589 48.1493 0.0000 174.9787 67 D 4.3939 8.1436 121.2678 57.0799 40.5297 179.0026 68 A 4.1090 7.8259 120.8047 55.0017 18.6695 179.7053 69 V 3.6294 7.5814 117.1959 65.1237 31.6890 178.0454 70 N 4.2952 8.4641 118.2701 56.1385 38.4531 176.1479 71 Y 3.7760 8.1873 120.8899 60.4826 39.0848 177.7625 72 I 3.8989 7.6893 120.8820 64.4608 37.0630 178.4147 73 Q 3.9249 7.9225 118.3270 58.8150 28.2990 178.1753 74 N 4.2722 7.8533 116.7967 56.0918 38.9725 176.2324 75 Q 4.2823 7.9006 118.3403 57.5014 29.2588 175.6839 76 Q 4.1711 7.5402 123.0858 56.0870 28.8222 175.6319 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 A 8.12 4.36 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 2 D 7.81 4.30 0.00 2.91 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 3 T 8.14 3.91 4.08 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 0.00 0.00 0.25 0.00 0.00 4 L 7.82 3.92 0.00 1.73 1.70 0.91 0.92 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 5 E 7.97 4.08 0.00 2.29 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 0.00 2.36 2.36 0.00 6 R 8.44 3.95 0.00 2.18 2.67 0.00 3.09 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.75 0.00 7 V 9.02 3.80 2.27 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 1.02 0.00 0.00 1.18 0.00 0.00 8 T 9.08 3.88 4.47 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 1.25 0.00 0.00 9 K 8.40 4.01 0.00 2.06 1.82 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 10 I 7.66 3.72 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.97 0.00 0.00 11 I 8.88 3.85 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 1.25 0.00 0.00 12 V 8.25 3.53 2.23 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 1.00 0.00 0.00 0.97 0.00 0.00 13 D 8.01 4.43 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.40 4.18 0.00 2.28 1.77 0.00 3.24 0.00 0.00 3.42 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 15 L 8.47 4.33 0.00 1.75 1.55 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.15 3.48 2.17 0.00 0.00 0.00 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 0.97 0.00 0.00 18 D 8.25 4.81 0.00 2.68 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 19 E 7.57 3.64 0.00 2.07 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 2.24 2.24 0.00 20 A 7.68 5.04 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 21 D 8.22 4.40 0.00 2.75 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 22 V 6.91 3.45 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 0.69 0.00 0.00 1.06 0.00 0.00 23 K 8.13 4.53 0.00 1.74 1.71 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.52 7.81 24 L 8.92 4.17 0.00 1.67 1.77 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.20 4.08 0.00 2.10 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 0.00 2.31 2.34 0.00 26 A 7.59 4.37 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 27 S 8.65 4.45 0.00 3.93 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 28 F 7.68 3.52 0.00 3.26 3.22 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 29 K 7.84 5.24 0.00 1.90 2.03 0.00 1.68 0.00 0.00 2.02 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.31 7.81 30 E 8.24 4.36 0.00 2.08 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 0.00 2.20 2.27 0.00 31 D 7.80 4.41 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.39 0.00 1.78 1.66 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.99 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 0.00 0.00 0.00 34 A 7.39 4.76 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 35 D 8.42 4.91 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.11 0.00 3.90 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 37 L 7.99 4.10 0.00 1.74 1.63 0.93 1.15 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 38 D 8.13 4.16 0.00 2.79 2.80 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 39 V 8.42 3.87 2.35 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 0.98 0.00 0.00 1.26 0.00 0.00 40 V 8.12 3.61 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 1.01 0.00 0.00 0.98 0.00 0.00 41 E 9.05 4.02 0.00 2.09 1.99 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 2.33 2.32 0.00 42 L 8.25 4.06 0.00 1.95 2.20 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.60 3.71 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 1.03 0.00 0.00 0.83 0.00 0.00 44 M 7.79 4.01 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 45 E 7.73 4.00 0.00 1.88 1.99 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 2.33 2.31 0.00 46 L 7.75 4.09 0.00 1.84 1.86 1.12 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 47 E 8.19 4.12 0.00 2.37 2.18 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 2.29 2.42 0.00 48 D 7.81 3.88 0.00 2.71 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 49 E 7.66 3.69 0.00 1.42 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 2.00 2.00 0.00 50 F 7.42 4.65 0.00 3.08 3.09 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 51 D 7.42 4.36 0.00 2.93 2.73 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 0.00 0.00 0.00 0.00 52 M 9.49 4.99 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 53 E 8.31 4.62 0.00 1.90 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 2.21 2.30 0.00 54 I 6.89 3.70 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.87 0.74 0.00 0.00 55 S 8.15 4.66 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.50 4.68 0.00 2.68 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 57 E 8.05 3.80 0.00 2.18 2.19 0.00 0.00 0.00 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 2.36 0.00 58 D 8.73 4.48 0.00 2.87 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.88 3.90 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 60 E 7.41 4.09 0.00 2.14 1.96 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 2.29 2.30 0.00 61 K 8.07 4.14 0.00 1.82 1.83 0.00 1.88 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 62 I 8.19 3.74 1.94 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 1.27 1.06 0.96 0.00 0.00 63 A 8.66 4.12 1.42 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 0.00 0.00 0.00 64 T 7.45 4.18 4.43 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 1.35 0.00 0.00 65 V 8.07 3.35 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 -0.82 0.00 0.00 66 G 8.05 3.68 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 0.00 0.00 0.00 67 D 8.14 4.39 0.00 3.10 2.80 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 68 A 7.83 4.11 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 69 V 7.58 3.63 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 0.75 0.00 0.00 0.90 0.00 0.00 70 N 8.46 4.30 0.00 2.81 2.81 0.00 0.00 6.85 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 71 Y 8.19 3.78 0.00 3.18 2.96 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 72 I 7.69 3.90 1.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.19 0.00 0.00 73 Q 7.92 3.92 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 74 N 7.85 4.27 0.00 2.79 2.69 0.00 0.00 7.05 6.25 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 75 Q 7.90 4.28 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 76 Q 7.54 4.17 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00