NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4063 8.1548 116.6427 54.9854 31.1945 175.6273 2 P 3.9933 0.0000 0.0000 62.5722 32.1307 175.7374 3 D 4.2678 8.6427 121.4142 57.5334 42.0056 177.7918 4 F 4.5922 7.8388 110.5406 58.0729 37.9793 176.3213 5 C 4.7713 7.9462 119.1496 58.5698 40.5180 174.6988 6 L 4.1170 7.7761 118.9865 56.1014 41.7250 177.2806 7 E 4.1989 8.0324 116.4901 55.2542 30.2675 175.0390 8 P 4.4813 0.0000 0.0000 61.2730 32.1874 174.4889 9 P 3.6307 0.0000 0.0000 62.7419 31.3823 175.1833 10 Y 4.6808 8.1268 122.9221 56.0001 40.2728 175.2252 11 T 4.0943 8.4225 125.2103 65.7233 68.8031 175.7966 12 G 3.6438 6.9210 105.0642 43.7077 0.0000 171.1805 13 P 4.3110 0.0000 0.0000 65.2492 31.8602 178.0488 14 C 4.4057 7.9124 115.9127 57.0933 40.6122 173.5745 15 K 4.5060 8.2941 120.5447 56.3673 31.8638 176.6473 16 A 4.2316 7.8353 121.7414 51.6531 20.3151 177.6082 17 R 4.4235 8.3702 119.9772 54.4717 30.4341 173.7017 18 I 4.2710 8.4737 124.8188 58.7461 38.6851 174.5326 19 I 4.0111 8.1764 128.3822 61.6557 37.6133 175.7515 20 R 4.7884 8.6596 125.3119 54.7611 35.2781 173.3797 21 Y 5.7247 9.3031 117.5021 56.5694 40.6684 175.4739 22 F 5.7324 9.9798 118.0505 55.1980 42.3451 173.2783 23 Y 4.3877 10.0925 122.5365 57.0387 39.9260 174.0855 24 N 4.3243 8.2178 127.4432 51.9721 38.7444 175.2169 25 A 3.6028 8.1195 129.8239 54.6113 18.9422 179.6951 26 K 3.7962 8.1011 115.5064 58.7964 32.3988 177.2143 27 A 4.2832 7.2182 117.6482 51.5277 19.8053 177.9801 28 G 4.2561 8.3424 103.7396 45.0775 0.0000 172.8009 29 L 4.9453 6.9667 118.5568 53.7239 44.5141 175.8354 30 C 4.9689 8.6278 116.9495 56.4717 39.6539 173.1272 31 Q 4.9799 8.5632 121.5697 54.2398 33.0894 174.3577 32 T 5.1269 8.5801 110.6835 61.3219 70.5464 173.7695 33 F 5.0237 9.5500 117.6708 55.6356 42.2480 173.1798 34 V 4.0498 8.3013 119.6332 61.9474 32.0669 174.2254 35 Y 4.6242 8.3433 130.1607 56.1664 40.4401 176.3807 36 G 3.6924 8.2133 112.6615 45.8450 0.0000 174.8695 37 G 3.8472 6.4204 108.0429 45.5145 0.0000 172.7477 38 C 4.9410 6.9231 111.6217 54.7115 44.9051 173.1203 39 R 3.7950 8.7885 116.1634 57.3306 26.7068 177.0316 40 A 4.3413 8.2417 119.8258 52.2910 19.2645 178.1588 41 K 4.3977 8.3303 121.6767 54.7446 33.8442 177.1942 42 R 3.5130 8.2115 119.5398 59.3119 30.2611 177.8282 43 N 4.7077 8.1741 117.3546 51.9387 36.8600 174.1983 44 N 4.8801 6.4393 116.4552 52.5534 40.3796 172.8272 45 F 5.0371 9.6026 124.6773 54.9502 41.8526 177.1845 46 K 4.0563 9.0867 125.5545 59.1544 32.3599 177.2463 47 S 4.8125 7.8655 111.2574 55.4728 67.5180 174.4654 48 A 3.3477 7.3259 123.3242 55.0164 17.9302 179.3801 49 E 3.7739 7.9613 116.4787 60.0298 29.6272 179.2617 50 D 4.3529 7.6326 117.1937 57.4513 40.7991 178.2142 51 C 2.4500 7.9888 118.9076 59.5078 43.0221 175.6733 52 M 3.7707 8.3538 120.5575 58.1001 31.2773 178.7011 53 R 3.7727 7.9540 118.5155 59.7183 30.3180 178.3603 54 T 4.1766 7.4631 114.1389 65.4779 68.7121 174.9889 55 C 4.3543 7.6311 115.0963 55.9993 40.7806 173.4194 56 G 3.5365 7.6502 111.3596 47.0128 0.0000 173.4090 57 G 3.8727 9.7362 112.9561 45.9198 0.0000 171.5653 58 A 4.0114 8.1466 123.7535 52.6712 18.9427 176.1638 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 R 8.15 4.41 0.00 1.84 2.08 0.00 2.57 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 2 P 0.00 3.99 0.00 1.04 1.71 0.00 3.21 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 3 D 8.64 4.27 0.00 2.67 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 4 F 7.84 4.59 0.00 3.32 3.19 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 5 C 7.95 4.77 0.00 2.96 3.32 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 6 L 7.78 4.12 0.00 1.84 1.77 1.01 1.03 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 7 E 8.03 4.20 0.00 2.11 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 2.57 2.41 0.00 8 P 0.00 4.48 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 9 P 0.00 3.63 0.00 1.27 0.49 0.00 3.40 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.00 10 Y 8.13 4.68 0.00 2.81 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 11 T 8.42 4.09 4.09 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 1.12 0.00 0.00 12 G 6.92 3.64 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 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.17 2.18 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.91 4.41 0.00 2.97 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 15 K 8.29 4.51 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 A 7.84 4.23 1.15 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 0.00 0.00 17 R 8.37 4.42 0.00 1.73 1.78 0.00 3.17 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 18 I 8.47 4.27 2.00 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 1.20 0.49 0.99 0.00 0.00 19 I 8.18 4.01 1.80 0.00 0.00 0.78 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 0.68 0.75 0.00 0.00 20 R 8.66 4.79 0.00 1.17 1.99 0.00 3.01 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 21 Y 9.30 5.72 0.00 3.32 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 22 F 9.98 5.73 0.00 2.94 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 23 Y 10.09 4.39 0.00 3.08 3.11 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 24 N 8.22 4.32 0.00 2.18 2.46 0.00 0.00 6.68 8.66 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 25 A 8.12 3.60 1.38 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 26 K 8.10 3.80 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.22 4.28 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 28 G 8.34 4.26 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 0.00 29 L 6.97 4.95 0.00 1.63 1.70 0.89 0.64 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 30 C 8.63 4.97 0.00 2.82 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 31 Q 8.56 4.98 0.00 1.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 32 T 8.58 5.13 4.09 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 0.53 0.00 0.00 33 F 9.55 5.02 0.00 2.90 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 34 V 8.30 4.05 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 0.67 0.00 0.00 0.87 0.00 0.00 35 Y 8.34 4.62 0.00 2.37 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 36 G 8.21 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 37 G 6.42 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 38 C 6.92 4.94 0.00 3.05 2.97 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 39 R 8.79 3.80 0.00 2.23 2.32 0.00 3.31 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.24 4.34 1.06 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 41 K 8.33 4.40 0.00 1.71 1.78 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.07 1.02 7.81 42 R 8.21 3.51 0.00 1.23 0.66 0.00 2.97 0.00 0.00 2.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.08 0.00 43 N 8.17 4.71 0.00 3.38 2.85 0.00 0.00 7.64 7.93 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 44 N 6.44 4.88 0.00 2.68 2.36 0.00 0.00 5.38 6.61 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 45 F 9.60 5.04 0.00 3.29 3.05 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 46 K 9.09 4.06 0.00 1.82 1.97 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 7.87 4.81 0.00 4.11 3.94 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 48 A 7.33 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.96 3.77 0.00 1.99 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 2.36 2.41 0.00 50 D 7.63 4.35 0.00 3.01 2.89 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 0.00 0.00 0.00 51 C 7.99 2.45 0.00 2.98 2.98 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 52 M 8.35 3.77 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 53 R 7.95 3.77 0.00 1.81 2.02 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.46 4.18 4.15 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 1.58 0.00 0.00 55 C 7.63 4.35 0.00 2.52 1.92 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 56 G 7.65 3.54 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 0.00 0.00 0.00 57 G 9.74 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 58 A 8.15 4.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00