NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9798 8.3393 109.7353 45.8174 0.0000 173.9243 0 S 4.4994 8.5601 115.5263 57.2839 63.8218 170.0226 1 E 4.6856 8.1299 119.6504 54.4263 32.5058 176.7159 2 Q 4.1958 8.6367 121.9435 57.4669 29.6345 176.3913 3 T 4.5629 9.2017 114.7023 62.7086 71.6524 173.5085 4 H 5.4484 8.1282 116.9282 54.0008 34.2452 172.1825 5 R 5.0493 9.0210 119.0909 54.4521 33.3650 174.2556 6 A 4.6979 8.6484 128.2755 52.0520 19.3017 177.6344 7 I 4.3372 8.5477 113.5836 60.4297 39.0150 175.5275 8 F 5.1215 7.6423 120.1901 55.5968 42.8472 174.3271 9 R 4.4689 8.8560 122.3558 56.3421 31.1265 175.3756 10 F 5.0427 9.3439 127.6870 56.6146 42.5222 173.4448 11 V 4.2954 8.0156 126.6838 60.3091 32.4197 173.4092 12 P 4.1758 0.0000 0.0000 63.3547 31.2371 176.3593 13 R 4.4094 9.8462 122.0575 55.9057 32.2444 175.1519 14 H 5.0674 8.0666 114.0562 53.4622 32.1875 173.9091 15 E 3.9481 9.1072 120.9501 59.6813 29.2088 177.8744 16 D 4.6208 8.0260 116.2534 53.6516 40.1343 175.6143 17 E 5.0191 8.0044 120.0209 56.3472 30.7336 175.6730 18 L 4.7571 9.0785 125.0530 53.3111 43.4668 175.8219 19 E 4.4819 8.9373 127.8724 56.3527 30.6095 175.6853 20 L 5.1201 9.1343 125.2356 53.0683 46.2588 175.2898 21 E 5.1021 9.1404 120.6940 54.0047 33.4697 175.9143 22 V 3.8330 8.3323 121.8976 64.9130 31.8966 176.1858 23 D 4.7563 9.0626 125.9119 53.9498 39.7757 174.4599 24 D 4.5419 7.8231 120.4862 54.1592 41.9430 173.9248 25 P 4.8263 0.0000 0.0000 62.3711 32.4382 175.3823 26 L 4.9213 9.0203 124.4177 52.7790 45.4510 175.5706 27 L 4.7444 8.8094 125.7080 53.4482 42.7612 174.4205 28 V 4.2666 8.9548 126.3694 62.7313 31.3774 175.0851 29 E 4.4603 9.1617 128.0601 57.3403 31.1122 176.7980 30 L 4.6796 7.7068 118.3382 52.8442 45.6402 176.1750 31 Q 4.2643 8.5460 121.7899 53.7827 29.9717 175.1397 32 A 4.3898 8.4386 126.2943 50.9206 19.6467 178.3699 33 E 3.8478 8.6636 119.2944 59.1551 29.6104 177.9474 34 D 4.9314 8.0881 116.3611 53.1025 39.7154 175.6090 35 Y 3.4415 7.6549 115.4816 59.4225 36.1339 168.8664 36 W 4.8402 8.2601 118.2264 55.0686 32.4379 174.3890 37 Y 5.2011 8.3827 121.3996 56.1757 40.5633 174.1245 38 E 5.1503 9.0303 124.7355 54.7642 31.7733 174.6116 39 A 5.2659 9.4525 127.6618 51.2136 23.9994 173.6099 40 Y 5.0668 8.8999 120.5553 56.3918 40.8934 175.3676 41 N 4.6226 9.0092 126.5279 54.3518 41.3829 176.7931 43 R 3.0633 8.4019 114.0156 59.1393 31.5769 177.5431 44 T 3.9735 7.7841 109.5661 62.2616 69.2067 175.9092 45 G 3.6714 8.3704 109.4475 45.2413 0.0000 173.1225 46 A 4.6039 7.3433 121.9105 51.1667 20.5790 176.9130 47 R 5.1802 9.2965 117.2509 53.8205 33.8270 175.8624 48 G 4.1377 7.8020 108.2937 46.9666 0.0000 171.3537 49 V 5.7684 8.2953 113.0325 59.4951 34.6157 175.3939 50 F 5.0347 8.0941 115.2108 55.1507 41.2343 171.7427 51 P 3.4091 0.0000 0.0000 62.2231 31.6148 177.0280 52 A 2.5800 8.2492 127.4392 55.3240 18.0393 178.6589 53 Y 4.4428 7.6847 108.9443 59.3977 38.0576 176.0256 54 Y 4.4161 8.6474 118.1502 58.9801 38.4635 174.7251 55 A 5.3404 7.9925 121.6316 50.0078 22.4000 175.5100 56 I 4.7086 8.5357 114.3936 58.6734 40.7724 175.1687 57 E 4.3637 8.7956 123.2874 56.5859 30.0441 177.3346 58 V 3.9555 8.2612 116.0364 61.8312 32.5981 175.9697 59 T 4.4595 8.1251 112.9491 60.4857 71.4046 174.6955 60 K 4.1802 8.5213 119.7336 57.2871 32.0992 175.7111 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 3.98 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 0 S 8.56 4.50 0.00 4.00 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 1 E 8.13 4.69 0.00 1.97 1.91 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 2.24 2.27 0.00 2 Q 8.64 4.20 0.00 2.04 2.06 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 2.39 2.66 0.00 3 T 9.20 4.56 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 4 H 8.13 5.45 0.00 3.21 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.02 5.05 0.00 1.81 1.70 0.00 3.27 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 6 A 8.65 4.70 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 7 I 8.55 4.34 1.35 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.77 0.00 0.00 8 F 7.64 5.12 0.00 2.16 2.45 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 9 R 8.86 4.47 0.00 1.92 1.95 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 10 F 9.34 5.04 0.00 3.19 2.92 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 11 V 8.02 4.30 1.94 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 0.76 0.00 0.00 0.90 0.00 0.00 12 P 0.00 4.18 0.00 1.90 1.98 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 13 R 9.85 4.41 0.00 1.55 1.58 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 14 H 8.07 5.07 0.00 3.28 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.11 3.95 0.00 2.08 2.12 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 2.30 2.33 0.00 16 D 8.03 4.62 0.00 2.83 2.92 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 17 E 8.00 5.02 0.00 2.18 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 2.88 2.46 0.00 18 L 9.08 4.76 0.00 1.79 1.90 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.94 4.48 0.00 2.02 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 2.30 2.53 0.00 20 L 9.13 5.12 0.00 1.72 1.48 0.41 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.14 5.10 0.00 2.16 1.80 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 2.22 2.21 0.00 22 V 8.33 3.83 2.08 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 0.75 0.00 0.00 0.95 0.00 0.00 23 D 9.06 4.76 0.00 2.81 2.88 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 24 D 7.82 4.54 0.00 2.72 2.55 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 25 P 0.00 4.83 0.00 2.08 2.06 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 26 L 9.02 4.92 0.00 1.66 1.65 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.81 4.74 0.00 1.92 1.95 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.95 4.27 2.01 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 0.41 0.00 0.00 0.99 0.00 0.00 29 E 9.16 4.46 0.00 1.90 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 2.28 2.31 0.00 30 L 7.71 4.68 0.00 1.51 1.46 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.55 4.26 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 32 A 8.44 4.39 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 0.00 0.00 33 E 8.66 3.85 0.00 1.96 2.01 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 2.27 2.28 0.00 34 D 8.09 4.93 0.00 3.02 2.87 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 35 Y 7.65 3.44 0.00 3.26 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 36 W 8.26 4.84 0.00 3.33 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 37 Y 8.38 5.20 0.00 1.43 2.25 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 0.00 38 E 9.03 5.15 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 39 A 9.45 5.27 1.54 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 40 Y 8.90 5.07 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 41 N 9.01 4.62 0.00 2.67 2.52 0.00 0.00 6.60 7.61 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 43 R 8.40 3.06 0.00 1.85 2.20 0.00 3.27 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 44 T 7.78 3.97 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 45 G 8.37 3.67 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 0.00 0.00 0.00 46 A 7.34 4.60 1.25 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 0.00 0.00 0.00 47 R 9.30 5.18 0.00 1.76 1.90 0.00 3.88 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 48 G 7.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 5.77 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 0.84 0.00 0.00 1.05 0.00 0.00 50 F 8.09 5.03 0.00 2.55 3.12 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 51 P 0.00 3.41 0.00 1.57 1.41 0.00 2.20 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.82 0.00 52 A 8.25 2.58 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.44 0.00 3.04 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 54 Y 8.65 4.42 0.00 3.35 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 55 A 7.99 5.34 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 56 I 8.54 4.71 1.89 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 1.34 1.11 0.90 0.00 0.00 57 E 8.80 4.36 0.00 1.84 1.84 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 2.09 2.35 0.00 58 V 8.26 3.96 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 0.66 0.00 0.00 0.98 0.00 0.00 59 T 8.13 4.46 4.23 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 1.20 0.00 0.00 60 K 8.52 4.18 0.00 1.93 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81