NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2045 8.2549 120.8532 55.0853 31.1905 175.1636 4 P 4.1751 0.0000 0.0000 62.3919 32.1891 176.1146 5 S 4.2276 8.6822 118.5557 61.5450 63.6017 176.7589 6 L 4.0968 7.9261 122.1180 58.8246 40.0407 179.7492 7 C 4.6167 8.2533 116.5004 59.0998 40.0880 174.0206 8 D 4.8182 7.6904 118.0197 53.8985 40.8272 176.1987 9 L 4.5413 7.6059 120.0286 52.6349 42.9181 175.0119 10 P 4.3789 0.0000 0.0000 62.0922 32.1061 176.0186 11 A 3.4501 7.9139 122.7614 51.9316 18.8407 176.8931 12 D 4.6728 7.9711 120.7280 52.2370 43.4199 176.1382 13 S 4.6453 8.3167 123.6182 59.4378 63.2409 175.4758 14 G 3.8435 8.8086 106.5403 44.4663 0.0000 173.6497 15 S 4.6251 8.3032 115.6246 57.8773 63.4151 174.4720 16 G 3.8953 7.8148 110.9702 45.4850 0.0000 173.7472 17 T 4.3674 8.1044 107.0721 61.1878 69.9229 174.2477 18 K 4.3104 7.6592 122.2111 56.1208 34.1347 175.9064 19 A 5.0014 8.3972 122.5448 50.0645 19.3545 174.9852 20 E 4.7524 9.3455 120.4104 54.8152 33.9920 174.8043 21 K 4.8896 8.4853 119.7855 54.9592 34.3744 176.0013 22 R 4.7626 8.3604 122.7074 54.4887 35.2554 173.8368 23 I 5.4959 9.0049 120.6717 60.0080 40.1113 174.8989 24 Y 5.3776 9.3219 123.6436 55.4025 42.1344 173.4368 25 Y 4.3936 9.6064 122.8808 56.7369 40.6127 173.7692 26 N 4.6394 8.0856 127.1236 51.8843 39.1379 175.7007 27 S 3.7673 8.3587 122.0058 60.8065 63.7525 175.9490 28 A 4.0417 8.0203 123.3141 55.2379 18.1511 178.5712 29 R 4.0761 7.9900 111.6900 56.0122 30.8979 176.5449 30 K 3.9914 7.6965 116.3962 55.5135 30.1283 174.7069 31 Q 4.6605 6.8007 114.1318 55.1183 32.5260 175.1415 32 C 4.9114 8.6532 118.8175 56.3691 40.6697 172.9337 33 L 4.9710 8.1906 123.2052 52.6275 45.6368 176.0987 34 R 5.1746 8.6646 119.3568 56.3608 31.2680 175.9126 35 F 5.1075 9.0405 115.9894 55.6668 42.1475 172.7778 36 D 5.0707 8.8323 119.6184 53.8698 42.1448 174.8675 37 Y 5.1214 8.6539 124.9629 55.9001 42.0128 175.6228 38 T 4.6125 8.0766 115.4566 60.4418 70.0477 176.0966 39 G 3.7978 7.2387 109.1175 45.4654 0.0000 173.1751 40 Q 4.4865 6.7691 117.7683 55.9258 32.4756 174.5406 41 G 3.9801 8.9489 111.3501 46.8350 0.0000 172.7285 42 G 4.4700 8.8919 110.2198 45.3118 0.0000 170.0549 43 N 5.0347 8.2314 116.8675 51.4435 40.3280 173.7395 44 E 3.9375 8.6411 115.9183 58.3631 30.2269 177.1818 45 N 4.6357 7.9212 120.2566 51.4843 37.4957 174.6937 46 N 5.1745 7.0125 116.5923 52.6559 41.9131 173.0746 47 F 4.9519 9.6420 124.8177 55.7615 42.2570 176.6523 48 R 4.1613 8.7180 122.1028 57.8035 30.6216 177.6310 49 R 4.7637 7.7724 116.5141 53.8499 34.4219 176.2651 50 T 3.8551 8.5729 119.6770 67.0637 68.7036 176.2767 51 Y 3.9051 8.0099 120.8413 60.5990 38.7374 177.5454 52 D 4.3566 8.1053 119.6552 57.1935 40.9303 179.0072 53 C 2.4500 7.4382 119.1649 58.9919 43.5935 175.6802 54 Q 3.6780 7.5555 119.8739 58.7856 28.0649 178.8704 55 R 3.7418 7.0894 115.1423 58.7500 29.6328 178.7318 56 T 4.0167 7.1711 116.4074 66.2685 68.7299 175.3672 57 C 4.2552 7.9027 116.1995 57.2503 41.3904 173.9459 58 L 4.0565 7.6157 124.6046 54.7530 41.3317 176.3469 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 3 R 8.25 4.20 0.00 1.73 1.90 0.00 3.22 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 4 P 0.00 4.18 0.00 2.30 1.97 0.00 3.67 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 2.10 2.14 0.00 5 S 8.68 4.23 0.00 3.86 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 6 L 7.93 4.10 0.00 1.91 1.92 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.25 4.62 0.00 3.08 3.17 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 0.00 0.00 0.00 0.00 8 D 7.69 4.82 0.00 2.73 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 9 L 7.61 4.54 0.00 1.78 1.58 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.38 0.00 2.10 2.01 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 11 A 7.91 3.45 0.08 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 12 D 7.97 4.67 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.65 0.00 3.99 3.99 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 14 G 8.81 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 0.00 0.00 0.00 15 S 8.30 4.63 0.00 3.93 3.89 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 16 G 7.81 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 0.00 0.00 0.00 17 T 8.10 4.37 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 K 7.66 4.31 0.00 1.71 1.71 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.33 7.81 19 A 8.40 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.35 4.75 0.00 2.01 1.85 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 2.20 2.20 0.00 21 K 8.49 4.89 0.00 1.59 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.37 7.81 22 R 8.36 4.76 0.00 0.72 1.76 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 23 I 9.00 5.50 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.93 0.00 0.00 24 Y 9.32 5.38 0.00 3.00 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 25 Y 9.61 4.39 0.00 2.96 3.03 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 26 N 8.09 4.64 0.00 2.32 2.40 0.00 0.00 6.53 7.18 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 27 S 8.36 3.77 0.00 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 0.00 28 A 8.02 4.04 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 29 R 7.99 4.08 0.00 1.70 1.91 0.00 3.31 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 30 K 7.70 3.99 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.31 7.81 31 Q 6.80 4.66 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.03 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 32 C 8.65 4.91 0.00 2.79 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 33 L 8.19 4.97 0.00 1.45 1.60 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.66 5.17 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 35 F 9.04 5.11 0.00 2.99 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 36 D 8.83 5.07 0.00 2.68 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 37 Y 8.65 5.12 0.00 2.40 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.61 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 1.15 0.00 0.00 39 G 7.24 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 0.00 0.00 0.00 40 Q 6.77 4.49 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.44 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 41 G 8.95 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 42 G 8.89 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 0.00 0.00 0.00 0.00 43 N 8.23 5.03 0.00 2.74 2.79 0.00 0.00 5.91 7.66 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 44 E 8.64 3.94 0.00 1.92 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 2.27 2.19 0.00 45 N 7.92 4.64 0.00 2.98 2.91 0.00 0.00 6.85 7.91 0.00 0.00 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 N 7.01 5.17 0.00 2.67 2.49 0.00 0.00 7.08 7.02 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 47 F 9.64 4.95 0.00 3.09 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 48 R 8.72 4.16 0.00 1.86 2.03 0.00 3.18 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 49 R 7.77 4.76 0.00 1.90 1.86 0.00 3.18 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 50 T 8.57 3.86 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 1.21 0.00 0.00 51 Y 8.01 3.91 0.00 3.08 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 52 D 8.11 4.36 0.00 3.04 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 53 C 7.44 2.45 0.00 1.94 2.86 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 0.00 0.00 0.00 0.00 54 Q 7.56 3.68 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 55 R 7.09 3.74 0.00 1.86 1.77 0.00 3.05 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 56 T 7.17 4.02 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 C 7.90 4.26 0.00 2.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.06 0.00 1.67 1.48 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00