NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3210 8.1744 110.9436 61.2726 70.7296 173.6791 6 N 4.7219 7.9802 120.1974 53.0769 39.1253 173.1848 7 S 4.4250 8.1068 112.1119 57.4919 64.7830 172.8165 8 D 4.8386 8.5142 122.0733 54.5997 42.4671 174.3747 9 F 5.3607 7.8478 115.3312 55.3821 41.4989 173.8870 10 V 4.5971 8.7658 112.1349 59.5548 35.2180 174.8718 11 V 4.8040 8.6687 123.4542 61.3076 34.0174 174.4213 12 I 4.8822 9.0834 128.4603 59.4287 40.5092 174.1291 13 K 4.9903 9.2514 129.3567 54.4092 34.1186 175.2391 14 A 4.4331 8.7889 130.4465 52.1928 19.1978 177.3964 15 L 4.6509 8.8751 122.2167 54.4630 42.5099 175.9036 16 E 4.6633 7.6291 115.5752 55.1679 32.0917 174.4591 17 D 4.4190 8.3767 119.4310 55.5410 41.3974 177.0264 18 G 3.8796 8.4162 110.2148 45.5597 0.0000 173.8664 19 V 3.8561 7.5982 119.7298 63.0263 32.9110 174.3867 20 N 5.3070 9.1624 125.0107 51.5323 41.2777 173.6385 21 V 4.5016 8.9334 125.2471 61.3970 33.5461 174.2184 22 I 4.5276 8.7718 130.2834 59.4189 39.5324 175.1090 23 G 4.2817 8.9799 115.4258 45.0338 0.0000 172.7889 24 L 5.2447 8.9654 127.1353 53.8263 43.4715 176.6761 25 T 4.3238 8.6593 114.1196 61.7664 69.2683 174.1791 26 R 4.4275 7.9365 126.3258 56.6289 30.8186 175.7711 27 G 3.7308 8.7767 110.5264 44.2213 0.0000 172.7825 28 A 4.0613 8.5787 122.0370 54.7886 18.6516 178.0146 29 D 4.6710 7.8493 114.1414 53.7694 42.1604 176.2510 30 T 4.5089 8.3005 122.6300 61.3362 69.0130 172.6581 31 R 4.8374 8.7423 123.1462 53.8416 33.7179 174.0604 32 F 4.9457 8.6906 117.7199 58.0534 38.9141 175.5569 33 H 4.6462 9.5092 124.9564 58.8696 30.7490 174.9232 34 H 4.6277 7.7132 114.4143 55.1403 33.2021 172.4551 35 S 4.7915 8.2444 119.3503 56.4553 64.5335 172.3612 36 E 4.4663 9.0345 129.7019 54.8296 31.1599 174.5909 37 K 4.9854 8.5933 126.3609 54.9758 33.7238 175.6570 38 L 4.9671 9.0273 125.2727 53.1019 44.7544 176.0593 39 D 4.9889 8.8746 122.6365 52.6061 43.1890 175.9912 40 K 4.1534 9.2254 122.3587 58.2136 32.4019 177.1512 41 G 4.0407 9.0993 115.6404 45.2367 0.0000 173.6406 42 E 4.2032 7.9918 119.6692 56.3827 30.7422 176.0531 43 V 4.9415 8.3135 122.3482 61.0056 34.2252 174.2030 44 L 4.7511 9.2644 129.7647 53.2469 44.7507 174.7900 45 I 5.0513 8.4472 126.3230 59.5581 39.3518 174.7788 46 A 4.6850 8.9559 128.8191 50.1764 22.1800 175.3547 47 Q 4.8149 8.6451 120.8172 55.0174 30.3450 175.8645 48 F 4.5402 8.4774 120.3437 58.0359 39.8219 175.0325 49 T 4.6923 8.8379 111.4651 60.0485 72.0356 173.1479 50 E 4.0125 9.0027 121.4791 59.7626 29.4779 177.6219 51 H 4.4259 8.1189 114.2946 57.0628 29.5575 174.4428 52 T 5.1488 7.9876 116.2131 61.8489 71.1878 174.5710 53 S 4.9889 8.8211 120.3821 58.0410 64.7866 173.4444 54 A 5.1913 7.8782 121.3103 51.2233 22.5242 175.2218 55 I 4.9879 8.5814 120.9972 59.3397 40.7170 174.7017 56 K 4.5899 9.1659 128.3161 54.5203 34.7331 174.6824 57 V 4.8202 8.4097 126.6218 61.2535 33.4623 174.5620 58 R 4.5754 9.1385 127.1208 55.6939 32.9859 176.6448 59 G 4.1947 8.9659 108.1726 44.2447 0.0000 172.2956 60 K 4.6805 9.9667 120.5358 55.1855 33.0940 175.5504 61 A 5.1517 8.5384 126.8534 50.9192 23.4646 173.7065 62 Y 5.0780 9.2139 121.4885 55.8621 41.6033 174.5935 63 I 4.9469 8.2570 126.8900 59.5257 40.8587 174.2262 64 Q 5.0382 8.8726 126.1394 54.3167 31.5237 174.9114 65 T 4.8085 8.7577 113.1025 59.4140 72.4794 174.6211 66 R 3.7312 8.5605 120.8927 59.5258 29.8252 176.4765 67 H 4.6239 8.2782 112.4969 55.4502 29.4169 174.5982 68 G 3.7544 6.8435 106.5078 44.1012 0.0000 172.9087 69 V 4.7273 7.8134 112.6022 60.0323 34.0420 175.4241 70 I 4.5036 8.1581 121.6970 60.0715 41.8983 172.8256 71 E 5.2777 8.6649 126.8426 54.6127 31.3888 176.0380 72 S 4.6282 8.7936 119.4073 57.6771 65.1184 174.1391 73 E 4.9276 8.4335 118.0023 55.9086 29.9568 175.5742 74 G 3.8450 8.4480 106.8489 47.3637 0.0000 174.7184 75 K 4.2900 8.4618 119.6375 56.4294 32.2785 177.0902 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 5 T 8.17 4.32 4.25 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 1.22 0.00 0.00 6 N 7.98 4.72 0.00 2.80 2.85 0.00 0.00 7.07 6.75 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 7 S 8.11 4.42 0.00 4.09 3.93 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 0.00 0.00 0.00 8 D 8.51 4.84 0.00 2.77 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 9 F 7.85 5.36 0.00 3.01 2.95 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 10 V 8.77 4.60 2.02 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 0.58 0.00 0.00 0.88 0.00 0.00 11 V 8.67 4.80 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 1.13 0.00 0.00 1.15 0.00 0.00 12 I 9.08 4.88 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.91 0.00 0.00 13 K 9.25 4.99 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.79 4.43 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 15 L 8.88 4.65 0.00 1.61 1.71 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.63 4.66 0.00 2.03 1.89 0.00 0.00 0.00 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 2.32 0.00 17 D 8.38 4.42 0.00 2.69 2.64 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 0.00 18 G 8.42 3.88 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 0.00 0.00 0.00 19 V 7.60 3.86 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 0.90 0.00 0.00 1.05 0.00 0.00 20 N 9.16 5.31 0.00 2.61 2.62 0.00 0.00 6.28 8.54 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 21 V 8.93 4.50 2.03 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 0.97 0.00 0.00 0.90 0.00 0.00 22 I 8.77 4.53 1.60 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.25 -0.25 0.00 0.00 23 G 8.98 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 0.00 0.00 0.00 0.00 24 L 8.97 5.24 0.00 1.89 1.69 1.03 0.46 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 25 T 8.66 4.32 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 1.32 0.00 0.00 26 R 7.94 4.43 0.00 1.86 1.95 0.00 3.24 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.78 3.73 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 0.00 0.00 0.00 28 A 8.58 4.06 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 29 D 7.85 4.67 0.00 2.64 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 30 T 8.30 4.51 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 1.28 0.00 0.00 31 R 8.74 4.84 0.00 1.83 2.03 0.00 2.79 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.69 4.95 0.00 2.87 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 33 H 9.51 4.65 0.00 3.15 3.62 0.00 5.98 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.71 4.63 0.00 3.09 3.02 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.79 0.00 3.67 3.59 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 36 E 9.03 4.47 0.00 2.13 1.76 0.00 0.00 0.00 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 2.31 0.00 37 K 8.59 4.99 0.00 1.65 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.42 7.81 38 L 9.03 4.97 0.00 1.51 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.87 4.99 0.00 2.61 2.67 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 0.00 0.00 0.00 40 K 9.23 4.15 0.00 1.65 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.10 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 0.00 0.00 0.00 42 E 7.99 4.20 0.00 2.03 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 2.33 2.39 0.00 43 V 8.31 4.94 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 0.96 0.00 0.00 44 L 9.26 4.75 0.00 1.71 1.46 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.05 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.64 0.00 0.00 46 A 8.96 4.68 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 47 Q 8.65 4.81 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.48 4.54 0.00 3.03 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 49 T 8.84 4.69 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 1.30 0.00 0.00 50 E 9.00 4.01 0.00 1.92 1.95 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 2.10 2.29 0.00 51 H 8.12 4.43 0.00 3.15 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.99 5.15 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 1.26 0.00 0.00 53 S 8.82 4.99 0.00 3.78 4.07 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 54 A 7.88 5.19 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 55 I 8.58 4.99 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.87 0.00 0.00 56 K 9.17 4.59 0.00 1.78 1.56 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 V 8.41 4.82 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.14 4.58 0.00 1.76 1.79 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 59 G 8.97 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.97 4.68 0.00 1.83 1.79 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.54 5.15 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 62 Y 9.21 5.08 0.00 3.03 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 63 I 8.26 4.95 1.86 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 1.18 0.71 0.83 0.00 0.00 64 Q 8.87 5.04 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 65 T 8.76 4.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.56 3.73 0.00 1.71 1.73 0.00 3.15 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 67 H 8.28 4.62 0.00 3.20 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.84 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 0.00 0.00 0.00 69 V 7.81 4.73 1.86 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 0.66 0.00 0.00 0.98 0.00 0.00 70 I 8.16 4.50 1.83 0.00 0.00 0.85 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 1.42 0.84 0.00 0.00 71 E 8.66 5.28 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 72 S 8.79 4.63 0.00 3.92 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 73 E 8.43 4.93 0.00 1.94 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 2.18 2.32 0.00 74 G 8.45 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.29 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81