NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0998 8.2549 117.2561 55.0924 30.7838 175.1343 2 P 4.1343 0.0000 0.0000 61.3574 32.4265 176.2817 3 D 4.2972 8.2451 122.4048 57.2990 43.1304 178.5645 4 F 4.4848 8.0944 113.2138 58.9669 38.2877 177.7494 5 C 4.3024 7.5519 119.0860 59.3833 39.9010 174.3520 6 L 4.2752 7.5617 117.6079 54.7382 41.7072 176.0065 7 E 4.5353 7.6609 120.2522 53.7501 30.8408 174.0342 8 P 4.4517 0.0000 0.0000 61.4956 32.1145 174.4441 9 P 3.9662 0.0000 0.0000 62.7499 31.6272 175.0713 10 Y 4.7350 8.2840 123.0872 56.1022 40.0855 175.2336 11 T 4.1438 8.5288 124.7816 65.9314 68.7698 175.5608 12 G 3.4482 6.8048 104.9073 44.2293 0.0000 170.8601 13 P 4.4710 0.0000 0.0000 63.2472 32.3919 176.8650 14 C 4.5905 7.7427 117.1171 56.8256 40.9310 173.3552 15 K 4.5209 8.1500 118.0944 56.1605 32.5898 176.6414 16 A 4.2306 7.9765 121.3690 51.7432 20.1725 177.9348 17 R 4.8020 8.3002 118.2084 53.7791 30.1320 174.1787 18 I 4.4841 8.2973 115.2626 58.7596 40.6868 175.3107 19 I 4.4689 8.2454 126.6286 60.7271 38.1940 175.1171 20 R 4.7879 8.6206 125.0969 54.9177 35.2813 173.2282 21 Y 5.3863 9.5229 116.9995 56.7837 40.6774 175.3809 22 A 5.4662 9.3797 123.5200 50.2485 22.9792 174.9040 23 Y 4.3336 9.7725 122.6832 57.7408 40.4025 174.4332 24 N 4.8417 8.2595 125.2040 51.4940 39.9450 174.7130 25 A 3.9082 8.5965 130.1862 54.8924 18.8034 178.8047 26 K 4.0711 7.9652 114.5122 58.9302 32.3554 178.2574 27 A 4.0804 8.0570 120.5517 52.5227 19.0475 177.9705 28 G 3.7944 8.6568 103.1002 45.4083 0.0000 172.5278 29 L 4.7959 6.8906 119.5634 53.2447 46.2947 175.2550 30 C 5.1893 8.7203 119.3981 56.4631 41.2239 173.1858 31 Q 5.0379 9.1441 121.1680 54.1364 33.0029 174.8944 32 T 4.5368 8.2536 111.0993 61.7122 70.4913 173.1373 33 F 4.8176 8.7700 116.4074 56.2751 42.0289 172.8926 34 V 4.4675 8.3032 119.2382 61.3787 32.6287 174.1873 35 Y 4.5620 8.7344 130.9203 57.0324 39.7277 176.1828 36 G 4.0797 8.1340 112.9941 46.0406 0.0000 175.0330 37 G 3.6778 6.7114 107.8644 45.1290 0.0000 172.4205 38 C 4.9641 7.1876 111.5296 53.0377 45.2537 173.6909 39 R 3.6417 8.8583 114.1805 56.8852 27.3982 175.7565 40 A 4.0157 8.0146 121.1735 53.1978 19.2757 178.2747 41 K 4.3701 8.4138 122.7582 55.0958 34.0634 176.9613 42 R 3.7133 8.1765 117.7553 59.3148 30.3107 177.4123 43 N 4.8451 7.8341 117.8363 51.4872 36.7733 173.8658 44 N 5.0186 6.6730 117.0682 52.7983 41.6760 173.4861 45 F 5.0171 9.8558 125.2933 55.6521 43.5553 175.8479 46 K 4.6962 8.8913 119.5864 56.3575 32.1955 176.8147 47 S 4.6358 7.5577 113.2111 56.1624 66.7652 175.0245 48 A 3.0637 7.8339 124.7365 54.8379 18.0931 179.9373 49 E 3.8134 7.8380 115.7943 59.3163 29.7153 178.6137 50 D 4.2492 7.8605 118.6117 57.1380 41.2711 177.3253 51 C 2.4500 7.4222 118.5103 59.4978 42.1540 175.6259 52 M 3.9676 7.8704 120.1159 58.3477 31.2983 178.9850 53 R 3.9062 8.1072 117.7214 58.8979 30.1610 178.7633 54 T 4.2135 7.1638 114.7705 65.7851 69.2108 175.2879 55 C 4.0631 8.0034 114.9558 56.6866 40.6369 174.1890 56 G 3.9323 7.8747 110.2620 44.7961 0.0000 175.1075 57 G 4.0325 7.8841 109.8592 45.0166 0.0000 173.8818 58 A 4.1238 8.6015 127.4725 52.3009 18.4016 177.2811 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 8.25 4.10 0.00 1.73 1.81 0.00 2.89 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 2 P 0.00 4.13 0.00 1.84 2.02 0.00 3.21 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 3 D 8.25 4.30 0.00 2.69 2.69 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 4 F 8.09 4.48 0.00 3.23 3.24 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 5 C 7.55 4.30 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.28 0.00 1.75 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.66 4.54 0.00 1.99 1.87 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 2.28 2.32 0.00 8 P 0.00 4.45 0.00 2.10 1.97 0.00 3.75 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 2.04 2.08 0.00 9 P 0.00 3.97 0.00 0.68 0.90 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 10 Y 8.28 4.73 0.00 2.84 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 11 T 8.53 4.14 4.12 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 0.00 0.00 1.21 0.00 0.00 12 G 6.80 3.45 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 0.00 0.00 0.00 0.00 13 P 0.00 4.47 0.00 2.17 2.17 0.00 3.75 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 1.93 2.02 0.00 14 C 7.74 4.59 0.00 2.95 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 15 K 8.15 4.52 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.34 7.81 16 A 7.98 4.23 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 0.00 0.00 0.00 0.00 0.00 17 R 8.30 4.80 0.00 1.62 1.80 0.00 3.12 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.30 4.48 1.86 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 1.37 0.99 0.87 0.00 0.00 19 I 8.25 4.47 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.76 0.00 0.00 20 R 8.62 4.79 0.00 0.99 1.96 0.00 3.33 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 21 Y 9.52 5.39 0.00 3.25 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 22 A 9.38 5.47 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 23 Y 9.77 4.33 0.00 3.08 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 24 N 8.26 4.84 0.00 2.67 2.64 0.00 0.00 6.88 8.29 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 25 A 8.60 3.91 1.36 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 26 K 7.97 4.07 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.36 7.81 27 A 8.06 4.08 1.19 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 28 G 8.66 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 29 L 6.89 4.80 0.00 1.65 1.41 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.72 5.19 0.00 2.95 3.26 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 31 Q 9.14 5.04 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 32 T 8.25 4.54 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 0.50 0.00 0.00 33 F 8.77 4.82 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 34 V 8.30 4.47 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 0.72 0.00 0.00 0.89 0.00 0.00 35 Y 8.73 4.56 0.00 2.56 2.71 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 0.00 0.00 0.00 36 G 8.13 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 37 G 6.71 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 38 C 7.19 4.96 0.00 3.04 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 39 R 8.86 3.64 0.00 2.17 2.15 0.00 3.14 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 40 A 8.01 4.02 1.07 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 0.00 0.00 41 K 8.41 4.37 0.00 1.76 1.73 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.03 1.30 7.81 42 R 8.18 3.71 0.00 1.38 0.95 0.00 2.21 0.00 0.00 2.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.00 43 N 7.83 4.85 0.00 3.15 2.81 0.00 0.00 6.69 7.79 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 44 N 6.67 5.02 0.00 2.70 2.56 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 45 F 9.86 5.02 0.00 3.13 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 46 K 8.89 4.70 0.00 1.83 1.90 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 47 S 7.56 4.64 0.00 3.94 3.92 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 48 A 7.83 3.06 0.88 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 49 E 7.84 3.81 0.00 2.13 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 0.00 2.28 2.30 0.00 50 D 7.86 4.25 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.42 2.45 0.00 2.82 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 M 7.87 3.97 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 53 R 8.11 3.91 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 54 T 7.16 4.21 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 1.53 0.00 0.00 55 C 8.00 4.06 0.00 2.72 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 0.00 0.00 0.00 56 G 7.87 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 0.00 0.00 0.00 57 G 7.88 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 58 A 8.60 4.12 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