NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9063 8.3393 109.7366 45.0793 0.0000 172.8973 2 S 4.0692 8.4155 114.0153 57.4772 63.3213 172.4841 3 S 4.4811 8.0194 115.9020 56.5330 63.0160 173.9337 4 G 4.0118 7.9551 114.3100 46.0204 0.0000 170.6524 5 S 4.3668 8.4428 115.0930 57.4058 65.9626 174.7952 6 S 4.1666 8.9474 121.8019 58.3236 62.5803 173.4052 7 G 4.1548 7.8872 124.5943 45.2091 0.0000 172.3513 8 G 4.1863 7.1099 104.6719 44.5096 0.0000 170.2568 9 H 5.5230 9.0034 122.6277 54.0483 32.1642 172.6367 10 C 5.0476 8.4884 116.5845 56.9078 33.4526 173.1661 11 V 5.3653 8.5124 112.7950 57.9927 35.7017 174.9823 12 A 4.4343 8.6562 126.0123 53.1312 18.6898 178.1993 13 I 3.5362 8.1810 124.0160 63.4416 37.7691 176.1553 14 Y 4.9613 7.3363 116.1635 55.7241 41.9931 174.8709 15 H 4.2120 9.3307 121.6154 57.2406 30.7398 174.2471 16 F 4.6924 8.7770 126.9986 56.3992 41.9509 172.9274 17 E 4.3996 8.3398 127.9312 55.0821 30.5603 176.9523 18 G 3.8989 8.6319 116.9861 45.1432 0.0000 173.1530 19 S 4.2166 8.1602 120.0452 60.8070 64.0476 175.7892 20 S 4.1597 7.9386 114.5298 57.7270 62.8066 173.4194 21 E 4.3432 8.5232 120.9676 54.8836 29.3797 177.2997 22 G 5.1852 7.1057 114.6462 47.0019 0.0000 171.7762 23 T 4.7847 6.9170 107.6675 60.1574 72.2388 172.5914 24 I 4.5084 8.3275 121.9056 59.1707 40.6501 174.5635 25 S 5.3737 8.4315 119.7036 57.3052 65.2195 172.8788 26 M 5.0250 8.9508 118.0221 53.9852 35.3003 173.3380 27 A 4.9620 8.3886 120.5967 49.8271 22.1559 175.3853 28 E 3.8438 8.9433 121.7305 58.2575 30.1773 176.7478 29 G 3.7957 9.2080 117.3652 45.9431 0.0000 171.5471 30 E 4.6930 8.0249 120.1844 54.2257 31.7117 174.6506 31 D 4.8979 8.5492 125.4455 53.3122 40.4935 175.2961 32 L 4.9699 8.3686 120.0541 53.3163 46.6671 176.0150 33 S 4.6364 8.6847 116.9191 56.4870 64.6863 173.7855 34 L 4.1931 8.1567 127.5897 56.0065 41.8817 174.9164 35 M 4.5900 9.1079 123.9541 56.3230 34.4332 175.2877 36 E 4.6096 7.8541 120.8310 54.2463 31.7044 174.8085 37 E 4.6238 8.9604 126.7361 56.3640 30.8896 175.7786 38 D 4.9629 8.5818 120.8542 51.8763 41.5909 176.3118 39 K 4.2922 8.8886 123.8137 55.0466 31.9740 175.7693 40 G 4.1011 8.5273 112.4827 46.2484 0.0000 171.7214 41 D 4.6677 7.8773 118.6640 53.2004 43.2443 177.2700 42 G 3.7063 8.4649 105.7889 44.7156 0.0000 171.8802 43 W 5.3054 7.8941 118.6671 54.9894 31.6116 175.1075 44 T 4.9484 9.4996 121.5830 61.7173 72.0669 172.8758 45 R 5.4457 8.6215 125.9612 54.2656 31.8424 175.3727 46 V 4.9714 8.2537 118.6578 59.5883 35.9592 174.4816 47 R 4.9501 8.9491 122.9129 54.9290 32.4884 175.0051 48 R 4.8078 8.1472 121.7353 54.0402 32.6491 177.1570 49 K 3.6026 8.9195 122.9182 59.9395 32.1503 177.9439 50 E 4.0770 8.2273 116.9477 58.6061 29.5700 178.6722 51 G 4.3368 6.1130 118.9734 46.1401 0.0000 172.3645 52 G 4.3160 7.7898 107.7462 43.8137 0.0000 172.4774 53 E 5.5154 8.2420 122.2661 53.7437 32.9397 174.9642 54 G 4.0586 8.1941 107.3694 45.8221 0.0000 170.6824 55 Y 4.9745 8.5049 117.8031 57.0906 38.5101 176.0419 56 V 4.5451 9.0138 118.7368 58.3227 35.5589 173.9071 57 P 4.2276 0.0000 0.0000 62.6398 31.3439 177.1116 58 T 3.8748 8.5175 121.6241 66.6355 68.6844 176.1638 59 S 4.1889 8.1042 114.3606 61.4433 62.8619 174.3356 60 Y 4.5942 8.6680 118.0030 57.7027 38.0484 174.5510 61 L 5.0013 8.4349 119.9789 53.0660 45.1879 176.1735 62 R 4.3849 8.5665 125.1720 54.0087 32.1264 174.9460 63 V 3.9158 8.6338 127.4500 63.9542 31.3831 175.6156 64 T 3.8942 8.5361 119.7071 64.6415 68.5592 175.0426 65 S 3.6675 7.9418 113.9939 58.9614 60.8422 172.7330 66 G 4.0109 7.6775 107.4494 42.3436 0.0000 171.1240 67 P 4.4173 0.0000 0.0000 63.1404 32.5102 176.4622 68 S 3.6256 8.4851 111.1550 59.6151 59.9246 173.5851 69 S 4.1975 8.1742 116.5758 58.3732 62.1905 175.0686 70 G 3.7423 8.5274 113.6827 45.7137 0.0000 172.1188 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 G 8.34 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.42 4.07 0.00 4.07 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 3 S 8.02 4.48 0.00 3.81 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 4 G 7.96 4.01 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 0.00 0.00 0.00 5 S 8.44 4.37 0.00 3.85 3.78 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 6 S 8.95 4.17 0.00 3.96 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 7 G 7.89 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 0.00 0.00 0.00 0.00 8 G 7.11 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 9 H 9.00 5.52 0.00 3.03 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.49 5.05 0.00 2.93 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 11 V 8.51 5.37 2.10 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 0.90 0.00 0.00 0.92 0.00 0.00 12 A 8.66 4.43 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.18 3.54 0.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 -0.18 0.00 0.00 14 Y 7.34 4.96 0.00 2.52 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 15 H 9.33 4.21 0.00 3.27 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.78 4.69 0.00 3.35 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 17 E 8.34 4.40 0.00 1.92 1.66 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 2.14 2.25 0.00 18 G 8.63 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 19 S 8.16 4.22 0.00 3.94 3.91 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 0.00 0.00 0.00 0.00 20 S 7.94 4.16 0.00 3.85 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 21 E 8.52 4.34 0.00 2.10 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 2.25 2.27 0.00 22 G 7.11 5.19 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 23 T 6.92 4.78 4.53 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 1.38 0.00 0.00 24 I 8.33 4.51 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.98 0.00 0.00 25 S 8.43 5.37 0.00 3.90 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 26 M 8.95 5.03 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 27 A 8.39 4.96 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 28 E 8.94 3.84 0.00 2.09 1.98 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 2.29 2.56 0.00 29 G 9.21 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 30 E 8.02 4.69 0.00 2.24 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 2.26 2.29 0.00 31 D 8.55 4.90 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.37 4.97 0.00 1.62 1.54 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.68 4.64 0.00 3.85 3.76 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 0.00 0.00 0.00 34 L 8.16 4.19 0.00 1.75 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 M 9.11 4.59 0.00 1.86 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 36 E 7.85 4.61 0.00 2.02 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 2.35 2.37 0.00 37 E 8.96 4.62 0.00 1.92 1.90 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 2.33 2.33 0.00 38 D 8.58 4.96 0.00 2.86 2.76 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 0.00 0.00 0.00 39 K 8.89 4.29 0.00 1.85 1.81 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 40 G 8.53 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 0.00 0.00 0.00 0.00 41 D 7.88 4.67 0.00 2.90 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 42 G 8.46 3.71 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 0.00 0.00 0.00 43 W 7.89 5.31 0.00 3.15 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 44 T 9.50 4.95 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 1.29 0.00 0.00 45 R 8.62 5.45 0.00 1.43 1.63 0.00 2.21 0.00 0.00 2.91 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.00 46 V 8.25 4.97 2.11 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 0.76 0.00 0.00 0.92 0.00 0.00 47 R 8.95 4.95 0.00 1.78 1.73 0.00 3.03 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 48 R 8.15 4.81 0.00 1.95 1.79 0.00 3.37 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 49 K 8.92 3.60 0.00 1.70 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 50 E 8.23 4.08 0.00 2.00 1.98 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 2.32 2.31 0.00 51 G 6.11 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 4.32 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 0.00 53 E 8.24 5.52 0.00 1.91 1.83 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 2.11 2.02 0.00 54 G 8.19 4.06 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 0.00 55 Y 8.50 4.97 0.00 2.77 2.84 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 56 V 9.01 4.55 1.69 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 0.70 0.00 0.00 0.99 0.00 0.00 57 P 0.00 4.23 0.00 1.86 1.53 0.00 2.33 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 0.00 58 T 8.52 3.87 4.16 0.00 0.00 0.00 0.00 0.00 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 59 S 8.10 4.19 0.00 4.15 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 60 Y 8.67 4.59 0.00 2.94 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 61 L 8.43 5.00 0.00 1.55 1.51 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.57 4.38 0.00 1.77 1.69 0.00 3.02 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 63 V 8.63 3.92 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 0.83 0.00 0.00 0.92 0.00 0.00 64 T 8.54 3.89 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 1.27 0.00 0.00 65 S 7.94 3.67 0.00 3.95 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 66 G 7.68 4.01 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 0.00 0.00 0.00 67 P 0.00 4.42 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 68 S 8.49 3.63 0.00 4.03 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 69 S 8.17 4.20 0.00 3.86 3.86 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 70 G 8.53 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00