NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2305 8.2549 117.2707 55.7746 30.5060 175.6277 11 S 4.0589 8.7611 111.5840 57.0280 64.2283 174.5244 12 G 3.7858 7.7373 112.0931 47.9287 0.0000 176.0711 13 R 3.9438 7.7005 115.9168 59.1397 29.8862 177.5687 14 F 5.0999 8.6248 115.7302 57.1511 39.6887 176.4124 15 G 3.7248 7.5027 110.5199 47.2794 0.0000 174.1565 16 A 4.5845 8.5621 124.8621 52.0831 19.1754 176.9503 17 R 4.2309 7.5892 117.8541 57.1007 32.3235 176.0514 18 Y 3.9632 8.1002 117.8543 57.1258 36.8479 171.0288 19 G 4.0278 8.0138 103.3493 44.5476 0.0000 173.1574 20 R 3.8422 8.4945 115.5744 58.9787 30.3072 180.1015 21 V 3.4941 7.9739 119.1839 66.7159 32.3784 177.1506 22 S 4.1190 8.2910 114.8258 62.0475 62.7454 176.7570 23 R 4.2972 8.3173 118.1939 58.8014 29.4419 178.9365 24 R 3.9205 8.7598 120.7129 59.5302 30.2755 178.4289 25 R 4.0764 8.2217 117.1660 58.2112 29.9724 179.0775 26 V 3.6121 7.4136 117.8078 65.6590 31.7955 177.7383 27 A 3.9602 8.0331 120.4853 55.3469 18.0458 179.2502 28 E 3.9224 8.0784 116.8939 59.4239 29.7338 179.1769 29 I 3.6473 7.7540 119.3535 64.9254 37.3423 178.2951 30 E 4.1559 8.4502 118.8897 58.7208 28.8870 179.3272 31 S 4.0465 7.8361 113.5135 61.4745 62.3704 175.8177 32 E 4.0643 8.2952 120.4381 58.9875 29.4165 177.9290 33 M 4.6757 7.7120 118.6570 57.6253 32.4454 177.0650 34 N 4.7562 7.9335 114.5933 53.2309 39.2887 175.0216 35 E 4.1050 7.1935 119.4349 56.2046 30.1946 176.1523 36 D 4.5784 8.2514 119.8465 54.4960 41.8422 175.8801 37 H 5.0794 8.4654 119.2643 53.6490 32.8181 172.8519 38 A 4.4930 8.6474 124.0156 51.5167 17.2182 176.9129 39 C 4.2349 8.9986 123.9204 59.7104 32.1016 173.3565 40 P 4.3003 0.0000 0.0000 65.3398 30.5426 176.6831 41 N 4.2093 6.5219 115.7965 54.5932 39.3939 178.6276 42 C 4.5702 7.5991 121.8629 58.1928 31.8343 174.6000 43 G 4.1399 8.4747 110.3200 46.1827 0.0000 172.6902 44 E 4.0708 8.0078 122.1565 55.8109 30.8518 176.2558 45 D 5.6946 8.3436 127.1302 52.4007 39.2651 176.3173 46 R 4.8197 7.7218 123.3413 55.6128 32.3298 174.4939 47 V 4.9934 8.2396 118.6769 61.8483 33.0837 174.5619 48 D 5.3139 9.3956 127.1910 52.2565 45.1988 175.1758 49 R 3.2289 8.6210 121.8598 56.0837 30.4580 176.3242 50 Q 4.1480 8.5709 125.5682 57.2033 29.9675 175.6261 51 G 3.6873 6.5170 103.5779 45.6905 0.0000 171.9179 52 T 3.6912 8.3664 118.4042 65.0627 67.9129 174.9166 53 G 4.3625 8.4642 115.5094 45.9653 0.0000 171.2017 54 I 4.4320 6.7097 121.3534 59.2925 39.0862 174.9142 55 W 4.9185 8.6067 126.5133 54.9831 33.0998 174.2624 56 Q 5.1705 8.9341 122.1900 55.1030 32.8233 172.8477 57 C 5.2636 9.3229 127.0341 58.3838 32.4769 174.0135 58 S 4.0935 9.4027 121.5319 60.2831 62.3527 174.3244 59 Y 4.4889 8.3148 121.3968 59.0066 39.3933 175.1399 60 C 4.0590 8.0359 117.7757 58.3665 30.9356 174.3015 61 D 4.7241 8.4734 119.5373 54.8299 38.4426 173.0619 62 Y 4.4063 8.1039 121.6304 58.1547 39.7641 174.5646 63 K 4.9930 8.6033 128.8884 54.7840 33.6734 175.0324 64 F 5.0185 8.9741 122.1659 55.2555 41.9363 173.6524 65 T 4.6573 8.6683 109.8578 61.9969 69.8737 174.5303 66 G 4.4038 7.9983 109.3308 46.4527 0.0000 172.1457 67 G 4.0782 8.1849 109.8258 45.5295 0.0000 174.4996 68 S 3.9688 8.5738 112.9153 60.4451 62.0471 174.0445 69 Y 4.9641 7.9930 113.9824 57.1186 39.9951 174.7606 70 K 4.6083 8.0131 119.2538 53.6402 35.7937 175.1911 71 P 2.9700 0.0000 0.0000 63.9421 31.7576 176.0943 72 E 4.8386 7.5574 117.4057 54.4393 33.1279 174.7004 73 T 4.6376 8.1665 112.8023 59.2001 70.8005 173.5883 74 P 4.3440 0.0000 0.0000 66.0497 31.1712 179.1953 75 G 3.7678 8.1122 104.1721 47.5845 0.0000 176.0270 76 G 3.6732 8.1848 108.1318 47.3561 0.0000 175.5568 77 K 4.2088 7.3782 115.4656 58.2375 32.2752 178.6704 78 T 4.2143 7.5823 116.4123 65.6115 68.6177 176.8615 79 V 3.6137 7.3112 119.8403 66.0962 31.8367 177.2612 80 R 4.0876 8.3092 117.2215 59.5603 30.4452 177.8565 81 R 3.2343 7.5430 108.2824 59.3683 30.0252 176.6020 82 S 4.2955 8.8752 119.9170 59.3914 62.5833 175.2649 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 10 R 8.25 4.23 0.00 1.89 1.83 0.00 2.97 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 11 S 8.76 4.06 0.00 3.99 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 12 G 7.74 3.79 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 0.00 0.00 0.00 13 R 7.70 3.94 0.00 1.88 1.94 0.00 2.70 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.33 0.00 14 F 8.62 5.10 0.00 3.41 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.50 3.72 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 0.00 0.00 0.00 16 A 8.56 4.58 1.25 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 0.00 0.00 17 R 7.59 4.23 0.00 1.08 0.66 0.00 2.80 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 18 Y 8.10 3.96 0.00 3.08 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 19 G 8.01 4.03 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 0.00 0.00 0.00 20 R 8.49 3.84 0.00 1.90 1.83 0.00 3.18 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 21 V 7.97 3.49 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 1.07 0.00 0.00 0.94 0.00 0.00 22 S 8.29 4.12 0.00 3.95 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 23 R 8.32 4.30 0.00 2.32 2.59 0.00 2.95 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 24 R 8.76 3.92 0.00 1.94 2.03 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 25 R 8.22 4.08 0.00 1.97 1.93 0.00 3.16 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 26 V 7.41 3.61 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 1.15 0.00 0.00 1.12 0.00 0.00 27 A 8.03 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.08 3.92 0.00 2.00 1.97 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 2.33 2.52 0.00 29 I 7.75 3.65 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.56 0.00 0.00 30 E 8.45 4.16 0.00 2.06 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 2.46 0.00 31 S 7.84 4.05 0.00 4.13 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 32 E 8.30 4.06 0.00 2.03 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 0.00 2.39 2.56 0.00 33 M 7.71 4.68 0.00 2.38 2.46 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.61 0.00 34 N 7.93 4.76 0.00 2.81 2.89 0.00 0.00 7.02 7.61 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 35 E 7.19 4.10 0.00 1.85 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 0.00 2.35 2.45 0.00 36 D 8.25 4.58 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 5.08 0.00 3.08 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.65 4.49 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.00 4.23 0.00 3.17 3.01 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 0.00 0.00 0.00 40 P 0.00 4.30 0.00 1.83 1.87 0.00 3.47 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 0.74 1.73 0.00 41 N 6.52 4.21 0.00 2.55 2.59 0.00 0.00 7.00 7.54 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 42 C 7.60 4.57 0.00 3.16 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 43 G 8.47 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 0.00 0.00 0.00 0.00 44 E 8.01 4.07 0.00 1.84 1.71 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 1.68 2.19 0.00 45 D 8.34 5.69 0.00 2.58 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 46 R 7.72 4.82 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 47 V 8.24 4.99 2.30 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 1.14 0.00 0.00 1.22 0.00 0.00 48 D 9.40 5.31 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 49 R 8.62 3.23 0.00 0.87 1.50 0.00 2.83 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 50 Q 8.57 4.15 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 51 G 6.52 3.69 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 0.00 52 T 8.37 3.69 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 1.02 0.00 0.00 53 G 8.46 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 54 I 6.71 4.43 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.72 0.72 0.00 0.00 55 W 8.61 4.92 0.00 1.79 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 56 Q 8.93 5.17 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 57 C 9.32 5.26 0.00 3.34 3.14 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 0.00 58 S 9.40 4.09 0.00 3.96 4.05 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 0.00 0.00 0.00 59 Y 8.31 4.49 0.00 2.91 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 60 C 8.04 4.06 0.00 3.07 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 61 D 8.47 4.72 0.00 2.92 2.93 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 62 Y 8.10 4.41 0.00 3.06 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 63 K 8.60 4.99 0.00 1.78 1.63 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.34 7.81 64 F 8.97 5.02 0.00 2.97 2.24 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 65 T 8.67 4.66 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 1.23 0.00 0.00 66 G 8.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 0.00 68 S 8.57 3.97 0.00 3.68 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 69 Y 7.99 4.96 0.00 3.19 3.02 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 70 K 8.01 4.61 0.00 1.75 1.61 0.00 1.70 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.50 7.81 71 P 0.00 2.97 0.00 1.81 0.92 0.00 3.16 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.00 72 E 7.56 4.84 0.00 1.85 1.81 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 2.17 2.17 0.00 73 T 8.17 4.64 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 1.25 0.00 0.00 74 P 0.00 4.34 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 75 G 8.11 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 76 G 8.18 3.67 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 0.00 0.00 0.00 77 K 7.38 4.21 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.63 7.81 78 T 7.58 4.21 4.45 0.00 0.00 0.00 0.00 0.00 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 79 V 7.31 3.61 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 0.76 0.00 0.00 0.94 0.00 0.00 80 R 8.31 4.09 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 81 R 7.54 3.23 0.00 2.14 1.78 0.00 3.20 0.00 0.00 3.27 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 82 S 8.88 4.30 0.00 3.97 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