NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3440 8.2931 120.3484 55.5603 33.7080 176.1635 2 G 3.5628 7.7022 105.9477 46.6833 0.0000 172.9230 3 H 4.4801 7.7256 128.2193 54.1552 29.5584 172.4471 4 H 4.9025 8.0789 119.6286 53.2929 30.8068 175.8491 5 H 4.4553 8.4488 118.1738 55.7849 26.9367 173.7891 6 H 4.6916 8.1565 122.2091 53.7685 31.3690 172.6063 7 H 4.0583 8.6166 127.0768 55.8607 30.2370 174.0849 8 H 4.1526 8.4302 125.6710 56.6095 29.3391 175.0153 9 S 4.1323 8.6277 123.2889 61.9514 62.7596 175.8268 10 H 4.2974 7.7580 124.8562 55.0824 28.1222 172.7846 11 M 4.5945 8.1688 124.2080 53.6872 33.3569 174.9089 12 S 4.7058 9.4628 120.5456 58.2043 63.5241 174.1736 13 T 4.3691 7.6003 116.8908 62.2040 69.3470 173.0816 14 P 4.4106 0.0000 0.0000 62.6113 31.9755 177.0504 15 L 4.3665 8.0815 123.1405 54.1775 40.3980 175.6560 16 T 4.7499 7.7081 117.4327 61.7125 73.0183 173.1554 17 G 3.9594 8.8115 111.3484 46.7232 0.0000 174.2854 18 K 4.4151 7.6322 122.0025 53.6326 33.2744 174.1009 19 P 4.7098 0.0000 0.0000 61.6207 33.2607 176.4591 20 G 4.1140 8.3183 103.9994 44.8434 0.0000 173.1521 21 A 4.4952 7.3642 121.7999 51.3853 21.2774 176.1783 22 L 4.9128 8.1756 113.7634 52.2530 45.9436 174.7402 23 P 4.3735 0.0000 0.0000 62.8055 31.9820 176.6071 24 A 4.3993 8.5258 122.3872 52.7919 18.2135 177.0938 25 N 5.0443 7.9112 115.5871 53.8579 40.0117 176.7281 26 L 3.9802 8.2261 118.4389 57.5177 41.8366 179.3235 27 D 4.3970 7.9990 115.9642 56.9716 41.3364 176.5967 28 D 4.4967 7.6382 117.3606 55.9106 41.1108 176.3588 29 M 4.3639 7.4341 118.4971 54.4984 33.2659 175.7746 30 K 4.5030 7.9963 119.4622 54.6595 35.6944 177.8911 31 V 3.5465 8.1460 118.2540 66.5444 31.4338 177.7378 32 A 4.0421 7.9625 119.8466 54.9269 17.8300 179.3457 33 E 3.9279 8.1151 116.8763 59.6649 29.6584 179.3580 34 L 3.8942 8.1329 119.1126 57.7351 41.5879 179.7619 35 K 4.0464 8.1710 118.2874 59.0388 31.3522 179.4071 36 Q 3.9136 7.7232 118.3290 58.9790 28.6569 178.7152 37 E 3.9390 7.6381 119.1114 59.2919 29.5338 179.1054 38 L 3.8210 7.7543 119.2156 57.9262 41.5684 179.9776 39 K 4.2202 8.1501 117.3458 59.6119 32.5294 178.5232 40 L 4.2842 7.3848 118.6055 56.5189 41.8481 178.0995 41 R 4.3284 8.0804 116.2047 55.2079 31.2223 176.5147 42 S 3.6939 7.9975 111.6558 59.8763 59.5480 171.7205 43 L 4.6647 8.1738 118.9693 51.7378 45.0047 175.6548 44 P 4.2985 0.0000 0.0000 63.2053 31.6488 176.3507 45 V 4.0154 8.2556 115.1366 61.2903 31.5989 175.9765 46 S 4.2722 7.8513 117.5145 58.9030 62.8243 174.4836 47 G 3.7072 7.9417 114.2192 44.9635 0.0000 172.0336 48 T 4.4496 7.8478 111.4494 59.9618 72.2197 175.0059 49 K 3.8256 8.4721 121.0929 59.9714 31.9246 178.4535 50 T 3.8733 7.8998 115.4366 66.8083 68.4419 176.1761 51 E 3.9880 7.7225 118.8807 59.2354 29.3798 179.2963 52 L 3.9514 8.1079 119.3167 57.9439 41.6501 179.7177 53 I 3.6996 7.8234 119.4515 64.5455 36.9952 178.4289 54 E 3.9652 8.0047 119.0060 59.3732 29.2439 179.4717 55 R 3.9128 8.6543 119.1519 59.2854 30.1461 178.5558 56 L 4.0393 8.2346 119.1205 57.8738 41.6505 179.6342 57 R 3.9449 8.2879 118.0433 59.3218 29.8942 179.0288 58 A 4.0923 8.3752 120.8181 55.2992 18.1783 178.9937 59 Y 3.9786 8.0163 116.8894 60.1189 39.0528 177.1220 60 Q 4.1571 8.1051 120.7758 58.7610 28.8586 177.0985 61 D 4.3569 8.6013 119.7434 57.1232 41.0340 177.8516 62 Q 4.0842 7.6722 116.8076 58.1009 28.6439 177.3890 63 I 4.0952 7.7260 120.9473 61.0052 38.6424 175.6411 64 S 4.6916 7.4692 116.9271 56.5968 63.9644 172.4836 65 P 4.8148 0.0000 0.0000 63.1260 31.3134 176.1417 66 V 3.9493 7.4169 112.9593 61.1208 31.9192 174.5956 67 P 4.5782 0.0000 0.0000 63.0538 31.9435 176.2145 68 G 3.9347 7.9662 106.8580 45.2150 0.0000 173.0043 69 A 4.7336 7.4227 121.2135 48.9940 22.0455 174.6496 70 P 4.3505 0.0000 0.0000 62.4886 31.2958 176.5969 71 K 4.5634 8.6751 122.4628 54.3695 33.4587 176.3717 72 A 4.6603 8.0968 124.4564 49.9122 22.2045 175.0205 73 P 4.5042 0.0000 0.0000 61.8722 33.5984 175.6981 74 A 4.3560 8.3292 120.5077 52.3241 19.3073 177.6788 75 A 4.3139 8.2832 121.0744 52.4666 19.4088 176.2997 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 M 8.29 4.34 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 G 7.70 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 7.73 4.48 0.00 3.13 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.08 4.90 0.00 3.28 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.45 4.46 0.00 3.20 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.16 4.69 0.00 2.89 3.01 0.00 5.74 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.62 4.06 0.00 3.08 3.13 0.00 5.99 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.43 4.15 0.00 3.01 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.63 4.13 0.00 3.89 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 10 H 7.76 4.30 0.00 3.03 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 8.17 4.59 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 12 S 9.46 4.71 0.00 3.92 3.84 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 13 T 7.60 4.37 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 1.24 0.00 0.00 14 P 0.00 4.41 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 15 L 8.08 4.37 0.00 1.61 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.71 4.75 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 1.22 0.00 0.00 17 G 8.81 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 0.00 0.00 0.00 0.00 18 K 7.63 4.42 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 P 0.00 4.71 0.00 2.19 2.09 0.00 3.76 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 2.12 1.97 0.00 20 G 8.32 4.11 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 0.00 0.00 0.00 21 A 7.36 4.50 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 22 L 8.18 4.91 0.00 1.60 1.54 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.37 0.00 2.22 2.18 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 24 A 8.53 4.40 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 25 N 7.91 5.04 0.00 2.75 2.71 0.00 0.00 7.21 6.29 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 26 L 8.23 3.98 0.00 1.75 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.00 4.40 0.00 2.62 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 28 D 7.64 4.50 0.00 2.90 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 29 M 7.43 4.36 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.51 0.00 30 K 8.00 4.50 0.00 1.86 1.75 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 31 V 8.15 3.55 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 1.04 0.00 0.00 0.93 0.00 0.00 32 A 7.96 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.93 0.00 2.10 2.02 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 2.47 2.39 0.00 34 L 8.13 3.89 0.00 1.84 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.17 4.05 0.00 1.94 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.67 7.81 36 Q 7.72 3.91 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 37 E 7.64 3.94 0.00 1.96 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 2.31 2.33 0.00 38 L 7.75 3.82 0.00 1.82 1.84 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.15 4.22 0.00 1.85 1.90 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.44 7.81 40 L 7.38 4.28 0.00 1.85 1.82 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.08 4.33 0.00 1.47 1.63 0.00 3.40 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 42 S 8.00 3.69 0.00 3.98 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 43 L 8.17 4.66 0.00 1.39 1.39 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.30 0.00 2.16 2.05 0.00 3.71 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 1.97 1.98 0.00 45 V 8.26 4.02 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 46 S 7.85 4.27 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.94 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 48 T 7.85 4.45 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 49 K 8.47 3.83 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.54 7.81 50 T 7.90 3.87 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 51 E 7.72 3.99 0.00 2.29 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 2.33 2.49 0.00 52 L 8.11 3.95 0.00 1.79 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.82 3.70 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.92 0.00 0.00 54 E 8.00 3.97 0.00 2.11 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 2.42 2.47 0.00 55 R 8.65 3.91 0.00 2.01 2.05 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 56 L 8.23 4.04 0.00 1.93 1.73 0.92 1.19 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 57 R 8.29 3.94 0.00 2.07 2.00 0.00 3.35 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 58 A 8.38 4.09 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 59 Y 8.02 3.98 0.00 3.07 3.14 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 60 Q 8.11 4.16 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 61 D 8.60 4.36 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.67 4.08 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 63 I 7.73 4.10 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.93 0.00 0.00 64 S 7.47 4.69 0.00 3.98 3.75 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 65 P 0.00 4.81 0.00 2.15 2.12 0.00 3.49 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 1.97 2.08 0.00 66 V 7.42 3.95 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 0.79 0.00 0.00 0.95 0.00 0.00 67 P 0.00 4.58 0.00 2.16 2.15 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 68 G 7.97 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 69 A 7.42 4.73 1.27 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 70 P 0.00 4.35 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 71 K 8.68 4.56 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.10 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.46 7.81 72 A 8.10 4.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.50 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 74 A 8.33 4.36 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 75 A 8.28 4.31 1.22 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 0.00 0.00 0.00 0.00 0.00