NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4744 8.4444 116.7633 55.5747 32.4458 175.0189 3 Q 4.5681 7.6681 116.2294 57.0221 35.7724 171.9793 4 R 4.7229 8.5063 118.5148 55.8399 32.8878 173.3404 5 I 4.8887 8.7231 126.7723 59.7341 42.5243 175.2422 6 T 4.2851 8.3995 119.8651 63.0320 69.1496 175.6826 7 L 3.8258 7.8685 123.8171 58.0574 42.0328 178.7687 8 K 3.7456 7.9479 118.9043 60.0671 31.9442 177.9242 9 D 4.3144 8.0442 118.2513 57.5547 40.9597 177.6294 10 Y 4.3701 8.2302 119.7525 61.5358 38.5941 177.8998 11 A 3.9646 8.9301 122.2662 54.7841 18.2158 179.0293 12 M 3.8889 8.6862 117.2427 59.5058 32.3980 178.7597 13 R 3.9321 8.4009 117.6598 58.0856 30.0962 177.3518 14 F 4.4712 8.6186 119.5332 56.0010 40.0717 172.1989 15 G 3.9376 8.2778 117.3187 44.8242 0.0000 175.1986 16 Q 3.9546 8.7174 122.2757 59.7639 28.6924 179.9988 17 T 3.8494 7.8517 116.2382 66.2542 68.6951 176.1390 18 K 3.8555 8.0482 120.7424 60.6520 32.1571 178.0532 19 T 3.9151 8.2929 115.0080 66.8104 68.2540 176.3122 20 A 4.0206 8.4448 123.9121 55.8636 18.2710 180.0978 21 K 3.8938 8.0778 121.0129 60.2569 31.6130 180.7770 22 D 4.6720 7.8062 118.6467 57.5514 40.9097 179.1088 23 L 4.2790 8.0211 118.0282 55.4960 41.9691 177.5905 24 G 3.8715 9.1031 106.2006 45.6392 0.0000 172.6579 25 V 4.6359 7.5209 110.5470 59.1372 35.8030 174.7110 26 Y 4.5643 8.6386 117.9893 57.9286 38.6814 177.2318 27 Q 3.9219 8.6853 124.3287 59.1403 29.3734 179.9356 28 S 4.1123 8.3032 111.4529 61.0262 62.4048 175.5737 29 A 4.1085 9.5939 123.9392 56.0087 18.1108 178.9494 30 I 3.7470 7.7806 118.3881 63.9752 36.7474 177.6870 31 N 4.4056 8.2170 117.5680 56.9811 38.8305 177.2107 32 K 4.0227 8.0402 120.1892 59.3567 32.1034 178.2929 33 A 4.0052 7.8016 120.8507 55.5075 17.7739 179.5512 34 I 3.5493 8.1657 118.0771 65.0294 37.0444 178.3679 35 H 4.1240 9.0199 116.0143 58.2502 28.5895 176.5405 36 A 4.5907 8.0428 120.1408 50.3011 20.5100 177.1655 37 G 3.8687 8.6897 104.2463 46.0138 0.0000 172.1423 38 R 4.5205 7.6110 119.8885 54.4166 32.7083 177.3257 39 K 3.9844 8.3355 121.4159 56.1213 31.8130 175.3826 40 I 4.7924 7.2850 124.7840 59.1062 40.9589 174.4624 41 F 5.0996 8.8751 122.6747 55.7204 43.5141 173.8465 42 L 5.6670 9.2584 120.0633 52.4128 45.7754 175.8923 43 T 4.8546 7.9868 117.5200 61.8976 72.4123 173.3879 44 I 4.7467 7.9346 123.9496 59.0086 38.8271 174.6839 45 N 4.3619 9.4617 125.0504 53.7981 38.8417 176.6424 46 A 3.8833 8.7563 127.0848 55.3448 18.6395 177.2651 47 D 4.6349 8.2515 114.8474 53.7028 39.6011 177.1535 48 G 4.0773 8.1947 105.8276 47.0766 0.0000 174.0189 49 S 4.4724 7.6180 114.2441 57.6920 64.3466 174.0632 50 V 5.2097 8.4494 123.5201 61.5455 33.5322 173.9872 51 Y 5.0322 7.7524 118.6407 56.1608 40.7049 172.8841 52 A 5.8083 8.8489 122.0827 49.3751 23.2920 175.0061 53 E 4.8649 8.2879 111.9449 55.9032 32.5679 174.4573 54 E 4.9781 8.7249 125.1239 54.9013 31.9927 175.2903 55 V 3.8918 8.7720 127.6247 61.8688 29.9050 175.5996 56 K 3.8624 8.9670 126.2223 57.8229 32.4190 176.8767 57 D 4.5160 7.6935 125.2662 52.9617 42.5055 174.1759 58 G 4.3808 8.8505 116.5669 45.3009 0.0000 171.8732 59 E 4.1639 7.7431 119.8620 55.2607 30.3026 176.2232 60 V 4.3731 8.2447 122.3870 60.2798 32.2100 175.4439 61 K 4.5222 8.3753 125.0401 54.4765 35.0295 174.0530 62 P 5.2107 0.0000 0.0000 62.7318 33.7372 175.5949 63 F 4.3353 8.4114 121.5461 57.6551 41.3939 172.8353 64 P 3.5799 0.0000 0.0000 61.7113 32.4693 175.6060 65 S 4.5176 8.0500 110.5882 58.2555 62.3613 173.3996 66 N 4.5319 7.6567 121.5930 53.9249 39.3881 174.0357 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 2 E 8.44 4.47 0.00 2.01 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 2.13 1.88 0.00 3 Q 7.67 4.57 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 4 R 8.51 4.72 0.00 1.77 1.73 0.00 3.15 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 5 I 8.72 4.89 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.98 0.00 0.00 6 T 8.40 4.29 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 0.98 0.00 0.00 7 L 7.87 3.83 0.00 1.47 1.43 0.87 0.80 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 8 K 7.95 3.75 0.00 1.78 1.76 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.54 7.81 9 D 8.04 4.31 0.00 3.00 2.74 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 10 Y 8.23 4.37 0.00 3.07 3.16 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 0.00 11 A 8.93 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.69 3.89 0.00 1.93 2.37 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.61 0.00 13 R 8.40 3.93 0.00 1.92 1.56 0.00 3.22 0.00 0.00 3.52 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 F 8.62 4.47 0.00 2.32 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 15 G 8.28 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 0.00 0.00 0.00 16 Q 8.72 3.95 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 17 T 7.85 3.85 4.24 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 1.21 0.00 0.00 18 K 8.05 3.86 0.00 1.86 2.03 0.00 1.97 0.00 0.00 2.01 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.60 7.81 19 T 8.29 3.92 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 1.48 0.00 0.00 20 A 8.44 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.89 0.00 1.79 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 22 D 7.81 4.67 0.00 2.95 2.83 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 0.00 0.00 0.00 23 L 8.02 4.28 0.00 1.79 1.92 1.22 0.93 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 24 G 9.10 3.87 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 0.00 0.00 0.00 25 V 7.52 4.64 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 0.87 0.00 0.00 1.11 0.00 0.00 26 Y 8.64 4.56 0.00 3.00 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 27 Q 8.69 3.92 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 28 S 8.30 4.11 0.00 3.93 3.95 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 29 A 9.59 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.75 2.12 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 1.47 0.62 0.93 0.00 0.00 31 N 8.22 4.41 0.00 2.79 2.89 0.00 0.00 6.59 6.75 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 32 K 8.04 4.02 0.00 2.10 2.01 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 A 7.80 4.01 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 34 I 8.17 3.55 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.81 0.00 0.00 35 H 9.02 4.12 0.00 3.19 3.45 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.04 4.59 1.37 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 0.00 0.00 37 G 8.69 3.87 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 0.00 0.00 0.00 38 R 7.61 4.52 0.00 1.69 1.90 0.00 3.19 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 39 K 8.34 3.98 0.00 1.80 1.96 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.45 7.81 40 I 7.29 4.79 1.45 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.02 0.59 0.00 0.00 41 F 8.88 5.10 0.00 2.93 2.83 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 0.00 0.00 0.00 42 L 9.26 5.67 0.00 1.37 1.09 0.73 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.99 4.85 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 1.19 0.00 0.00 44 I 7.93 4.75 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.31 0.91 0.00 0.00 45 N 9.46 4.36 0.00 2.69 2.86 0.00 0.00 6.70 6.79 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 46 A 8.76 3.88 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.25 4.63 0.00 2.86 2.90 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 48 G 8.19 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 49 S 7.62 4.47 0.00 3.97 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 50 V 8.45 5.21 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 0.24 0.00 0.00 0.76 0.00 0.00 51 Y 7.75 5.03 0.00 2.98 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 52 A 8.85 5.81 1.29 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 0.00 0.00 0.00 53 E 8.29 4.86 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 54 E 8.72 4.98 0.00 2.15 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 2.30 2.24 0.00 55 V 8.77 3.89 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 0.82 0.00 0.00 1.03 0.00 0.00 56 K 8.97 3.86 0.00 1.83 1.69 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.46 7.81 57 D 7.69 4.52 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.74 4.16 0.00 2.04 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 2.63 2.25 0.00 60 V 8.24 4.37 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 0.77 0.00 0.00 1.06 0.00 0.00 61 K 8.38 4.52 0.00 1.80 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.60 7.81 62 P 0.00 5.21 0.00 2.09 2.09 0.00 3.76 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 2.02 2.11 0.00 63 F 8.41 4.34 0.00 3.15 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 64 P 0.00 3.58 0.00 1.85 1.25 0.00 3.70 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 65 S 8.05 4.52 0.00 3.83 3.83 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 0.00 0.00 0.00 66 N 7.66 4.53 0.00 2.60 2.56 0.00 0.00 6.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00