NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3697 8.3349 115.2802 57.4777 64.3985 174.4516 1 P 4.1875 0.0000 0.0000 62.4570 31.6512 173.8753 2 T 4.4954 9.0898 119.7213 61.6424 71.6923 173.7960 3 F 4.6777 8.4714 125.1591 56.9737 39.8385 175.9147 4 K 4.3450 8.5052 124.2736 55.9646 31.2935 176.7509 5 S 4.6727 8.2411 119.0844 56.2604 63.4984 171.7807 6 A 5.3548 8.2594 125.2044 49.7011 22.7148 175.1783 7 V 4.8795 8.7279 112.0361 59.5657 36.9982 174.2610 8 K 4.8402 8.7951 123.7320 54.2992 34.7232 175.1362 9 A 4.3517 8.6241 130.3136 52.2348 18.7225 177.9334 10 L 4.1540 8.8688 122.9736 55.9182 42.4184 176.9022 11 F 5.0054 7.9231 115.3767 55.4228 43.2789 174.1680 12 D 4.8774 9.0079 120.6200 55.0507 41.7352 175.4336 13 Y 4.5674 8.8350 123.0631 55.7298 42.1716 173.4925 14 K 4.4822 7.7997 127.6901 54.2387 33.6040 175.6099 15 A 4.1709 8.3344 129.4352 53.2598 18.2823 177.3428 16 Q 4.3463 9.6163 120.7179 56.2962 30.0763 175.9315 17 R 4.7504 7.4430 115.7578 54.2246 34.2608 175.6341 18 E 4.0390 8.9023 119.5980 59.3161 29.7165 177.8725 19 D 4.8935 8.1751 116.6565 53.1836 39.8396 175.2100 20 E 5.5479 8.0470 118.9537 55.1924 32.0258 175.1175 21 L 4.8035 9.2988 124.2256 54.6358 43.6184 175.7698 22 T 4.9526 8.5778 121.3054 61.9938 70.7361 173.6416 23 F 5.1165 8.4742 119.4688 55.9758 41.7389 173.2925 24 T 4.9902 8.4994 110.1901 59.8428 71.2446 173.8541 25 K 3.8567 8.8647 124.1103 58.8415 32.4255 177.1508 26 S 4.1943 9.0223 121.3775 57.8975 61.9185 169.3337 27 A 4.0343 7.7348 122.8320 52.5648 19.2894 176.9084 28 I 4.5455 8.3308 122.0063 60.1570 38.1700 175.2402 29 I 4.4698 8.3539 129.3539 60.2353 38.7275 175.4884 30 Q 4.8719 8.8456 124.8722 53.8428 32.5404 174.7922 31 N 4.3070 8.5785 114.5472 54.4162 36.1039 175.1576 32 V 4.1749 8.0906 117.8397 62.8010 32.7924 174.8723 33 E 4.4733 9.0979 129.5706 54.5746 31.3581 174.3656 34 K 3.5698 8.2070 126.2660 54.6107 33.5314 175.7819 35 Q 4.6913 8.5757 122.1965 54.1652 33.0732 174.4481 36 D 4.9513 8.9347 119.7310 54.6232 41.0003 177.2795 37 G 4.0428 8.4532 106.3604 45.3655 0.0000 175.3573 38 G 3.7566 8.6798 108.1553 44.3196 0.0000 173.1743 39 W 5.0706 7.8829 118.5888 54.6067 32.1995 174.7738 40 W 5.3689 8.8850 124.2449 54.8391 32.4358 174.6750 41 R 4.9338 8.2617 116.8483 54.9781 32.6271 175.0918 42 G 4.3593 8.6254 106.1850 46.4108 0.0000 170.9874 43 D 5.6790 8.5886 119.6295 52.7751 43.9585 175.1957 44 Y 4.6535 9.1875 121.6958 57.2517 43.0012 174.3960 45 G 3.5488 8.6637 113.3130 46.5401 0.0000 174.6621 46 G 3.8928 8.4325 106.6573 44.7364 0.0000 174.1353 47 K 4.5132 7.8849 119.6351 54.4027 33.7839 175.3335 48 K 4.7707 8.3400 123.3030 55.5762 33.8650 175.6309 49 Q 3.4382 9.1010 126.8450 57.0814 26.8014 173.6563 50 L 4.7024 7.5980 115.9960 53.5212 44.3937 176.5678 51 W 5.5307 9.3720 121.3496 56.4359 31.0550 175.5884 52 F 5.4611 9.2161 117.1704 55.0320 41.5459 171.6782 53 P 3.6249 0.0000 0.0000 61.8336 31.8767 177.7584 54 S 3.2178 7.7856 117.3474 60.5600 62.8200 175.6326 55 N 4.4284 7.6310 116.3707 54.4092 37.2826 174.8443 56 Y 4.5237 8.1140 116.8811 58.6158 38.5105 174.9231 57 V 4.9933 7.4196 112.5914 59.4718 36.1628 174.2915 58 E 4.6964 9.0521 123.4225 54.3770 31.6867 174.9282 59 E 4.4454 8.9987 126.8878 56.8978 30.4452 176.8730 60 M 4.4523 8.6491 125.4076 53.8777 31.9658 176.4752 61 I 4.0044 8.0112 115.9716 60.7028 38.1063 176.1434 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 0 S 8.33 4.37 0.00 3.82 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 1 P 0.00 4.19 0.00 2.25 2.05 0.00 3.65 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 2.07 2.19 0.00 2 T 9.09 4.50 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 1.21 0.00 0.00 3 F 8.47 4.68 0.00 2.95 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 4 K 8.51 4.34 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.45 7.81 5 S 8.24 4.67 0.00 3.91 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 6 A 8.26 5.35 1.28 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 0.00 0.00 0.00 7 V 8.73 4.88 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 1.02 0.00 0.00 0.92 0.00 0.00 8 K 8.80 4.84 0.00 1.73 1.57 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.26 7.81 9 A 8.62 4.35 1.02 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 0.00 0.00 10 L 8.87 4.15 0.00 1.05 0.93 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.92 5.01 0.00 2.85 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 12 D 9.01 4.88 0.00 2.68 2.66 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 0.00 0.00 0.00 13 Y 8.84 4.57 0.00 2.49 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.48 0.00 1.61 1.41 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.31 7.81 15 A 8.33 4.17 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 16 Q 9.62 4.35 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 17 R 7.44 4.75 0.00 1.87 1.73 0.00 2.98 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 18 E 8.90 4.04 0.00 1.98 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 0.00 2.33 2.27 0.00 19 D 8.18 4.89 0.00 3.10 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 20 E 8.05 5.55 0.00 2.25 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 0.00 2.68 2.35 0.00 21 L 9.30 4.80 0.00 2.03 2.04 1.25 1.03 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 22 T 8.58 4.95 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 1.27 0.00 0.00 23 F 8.47 5.12 0.00 2.49 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 24 T 8.50 4.99 4.31 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 1.30 0.00 0.00 25 K 8.86 3.86 0.00 1.75 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 26 S 9.02 4.19 0.00 4.00 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 0.00 27 A 7.73 4.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.55 1.92 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 1.36 0.91 0.91 0.00 0.00 29 I 8.35 4.47 1.47 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.07 0.73 0.00 0.00 30 Q 8.85 4.87 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 31 N 8.58 4.31 0.00 2.97 2.85 0.00 0.00 6.90 7.68 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 32 V 8.09 4.17 2.17 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 0.84 0.00 0.00 1.19 0.00 0.00 33 E 9.10 4.47 0.00 1.97 1.63 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 2.15 2.22 0.00 34 K 8.21 3.57 0.00 1.16 0.74 0.00 1.29 0.00 0.00 0.86 0.00 0.00 2.49 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.73 7.81 35 Q 8.58 4.69 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.41 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 36 D 8.93 4.95 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.04 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 0.00 0.00 0.00 38 G 8.68 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 0.00 0.00 0.00 39 W 7.88 5.07 0.00 3.12 3.28 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 0.00 40 W 8.89 5.37 0.00 2.20 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 41 R 8.26 4.93 0.00 1.20 0.66 0.00 2.21 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.34 0.00 42 G 8.63 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 43 D 8.59 5.68 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.19 4.65 0.00 3.07 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 45 G 8.66 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 47 K 7.88 4.51 0.00 2.00 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.61 7.81 48 K 8.34 4.77 0.00 1.67 1.67 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.54 7.81 49 Q 9.10 3.44 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 7.60 4.70 0.00 1.83 1.83 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.37 5.53 0.00 3.48 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 5.46 0.00 3.17 3.46 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 53 P 0.00 3.62 0.00 1.90 1.02 0.00 2.74 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.59 0.00 54 S 7.79 3.22 0.00 2.72 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 55 N 7.63 4.43 0.00 2.76 2.85 0.00 0.00 6.01 7.55 0.00 0.00 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 Y 8.11 4.52 0.00 3.36 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 4.99 2.16 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 0.50 0.00 0.00 1.14 0.00 0.00 58 E 9.05 4.70 0.00 1.95 1.89 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 2.21 2.26 0.00 59 E 9.00 4.45 0.00 2.00 1.96 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 2.68 2.67 0.00 60 M 8.65 4.45 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 61 I 8.01 4.00 1.86 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 1.29 0.59 0.92 0.00 0.00