NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6661 8.4249 119.2039 53.7176 39.6946 175.7046 7 V 4.0227 8.7935 109.7995 61.0604 32.3364 174.7343 8 C 5.1387 7.5263 116.8759 53.9850 43.2145 171.8076 9 P 4.5997 0.0000 0.0000 61.7754 31.7712 173.9617 10 P 4.5407 0.0000 0.0000 63.1704 32.6423 175.7618 11 G 3.8380 8.7211 105.8500 44.5134 0.0000 173.7546 12 L 3.9253 8.9594 119.3718 57.9475 42.2181 177.7039 13 F 5.0823 7.9740 117.6428 56.4550 37.2978 175.5479 14 S 4.9173 7.7171 111.2793 57.0012 64.8471 174.9625 15 N 4.8625 8.2559 119.4285 51.0709 40.0781 172.5662 16 P 4.9482 0.0000 0.0000 63.0174 32.0576 176.1168 17 Q 4.8355 9.6279 121.8559 54.8339 34.1673 172.9138 18 C 5.4344 9.6697 119.5181 55.7163 40.7869 172.4424 19 C 5.5893 8.9477 121.1273 54.7265 43.0066 175.1169 20 A 3.6398 8.4532 123.7520 55.6861 18.7338 177.0336 21 T 4.1500 7.1448 107.7198 61.9367 71.9747 171.6201 22 Q 5.0676 8.6898 123.5328 54.3277 31.9987 174.5047 23 V 4.4580 8.6393 118.5448 60.0579 35.6890 176.1579 24 L 3.4338 9.5191 120.1082 55.1453 39.3847 175.4370 25 G 3.8806 8.9876 104.9275 45.8894 0.0000 174.3941 26 L 4.9339 7.5786 116.8640 56.3028 46.4240 173.7713 27 I 5.0444 7.7037 118.9531 59.8270 40.7202 174.4301 28 G 4.2846 9.3838 115.5275 45.1900 0.0000 172.1476 29 L 5.0552 8.7682 123.9739 53.4253 44.7295 175.3740 30 D 4.4237 8.5874 121.7440 55.3433 39.8560 171.1808 31 C 5.4102 8.5556 118.5682 55.3926 41.6224 174.0238 32 K 4.9915 8.8998 120.5776 54.5369 36.6057 176.0337 33 V 4.0050 8.4223 123.1853 62.2077 32.3245 174.1138 34 P 4.4135 0.0000 0.0000 62.5418 31.8032 176.7411 35 S 4.2582 8.9067 117.7782 60.5700 62.9793 174.1383 36 Q 4.6784 7.5339 115.8283 53.3254 31.5095 174.4881 37 N 4.3315 8.5021 115.6539 53.5339 39.1203 175.1236 38 V 4.5660 7.3561 112.4565 59.9367 35.1836 175.3063 39 Y 4.5657 8.5000 118.9404 58.1138 40.1249 175.6155 40 D 4.8002 7.9597 118.3208 50.9329 43.3649 175.7511 41 G 4.0833 8.7457 107.0191 48.0863 0.0000 175.5991 42 T 3.8990 7.9567 117.8510 65.9383 68.5326 176.0518 43 D 4.3496 9.0364 120.1610 57.3319 41.3295 177.6968 44 F 4.3736 8.6503 121.5849 61.6269 39.3178 176.9248 45 R 3.6897 8.3160 118.1299 59.5758 29.6671 177.9447 46 N 4.2964 8.2396 115.0328 56.4076 38.7902 177.1831 47 V 3.7769 8.0104 119.3018 66.4840 31.6507 177.4841 48 C 4.2651 8.3312 115.7629 59.8713 36.1327 175.9155 49 A 3.7717 8.0249 122.0517 54.4523 17.6760 179.6151 50 K 4.1400 8.1782 117.0396 58.5068 32.0101 177.8210 51 T 4.4668 7.5267 107.6666 60.8669 69.0315 174.1569 52 G 3.8058 7.9375 107.4463 47.0324 0.0000 174.0136 53 A 4.6793 7.9469 121.5943 50.6415 21.1308 177.0814 54 Q 4.7004 9.1715 118.0759 53.5483 32.0963 173.7054 55 P 4.4302 0.0000 0.0000 61.8465 32.7466 174.7977 56 L 4.9128 8.8118 123.5808 53.0171 46.8668 175.0120 57 C 5.4089 9.4712 118.4589 56.0019 41.6007 173.1014 58 C 5.5794 9.2533 122.1776 55.3606 42.6113 175.2966 59 V 4.3663 8.5494 112.1687 62.0830 31.4022 176.7201 60 A 4.6798 7.6120 122.6970 49.6692 21.9107 174.1834 61 P 4.5167 0.0000 0.0000 63.4085 32.1304 176.4273 62 V 4.3137 7.3122 112.2570 59.1529 33.6581 175.2889 63 A 4.4181 8.4347 125.1642 53.0915 19.1260 176.9007 64 G 4.0268 8.3883 102.7527 45.4823 0.0000 174.9777 65 Q 4.2724 8.6608 121.2348 58.4982 30.1060 176.4165 66 A 5.0622 7.6254 119.5339 50.9912 22.0772 175.7265 67 L 4.8550 8.9802 121.9255 52.7910 47.1534 175.7686 68 L 4.8700 8.4652 121.2505 55.1558 42.9376 176.8478 69 C 5.7465 9.5985 120.7413 55.9041 42.2904 173.0926 70 Q 5.0194 9.0057 120.6868 53.8723 31.5151 175.5252 71 T 4.2614 8.3375 111.4927 61.7525 69.4950 173.5733 72 A 4.3608 8.1670 125.5302 51.5548 19.7406 177.7877 73 V 3.6042 8.5513 116.0155 62.4035 32.3593 176.3154 74 G 3.9118 8.8647 110.2021 46.2274 0.0000 173.6024 75 A 4.3018 7.5925 127.2281 51.8981 19.1483 177.3123 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 6 N 8.42 4.67 0.00 2.64 2.04 0.00 0.00 6.97 6.83 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 7 V 8.79 4.02 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 0.64 0.00 0.00 0.50 0.00 0.00 8 C 7.53 5.14 0.00 2.91 2.99 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 0.00 0.00 0.00 9 P 0.00 4.60 0.00 2.26 2.21 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.00 0.00 10 P 0.00 4.54 0.00 2.21 2.10 0.00 3.78 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 2.00 1.97 0.00 11 G 8.72 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 0.00 0.00 0.00 12 L 8.96 3.93 0.00 1.67 1.18 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.97 5.08 0.00 3.03 3.24 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 0.00 14 S 7.72 4.92 0.00 3.84 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 15 N 8.26 4.86 0.00 2.89 2.81 0.00 0.00 7.01 7.83 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 16 P 0.00 4.95 0.00 1.65 1.29 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 17 Q 9.63 4.84 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 18 C 9.67 5.43 0.00 2.97 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 19 C 8.95 5.59 0.00 2.83 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 20 A 8.45 3.64 1.32 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 21 T 7.14 4.15 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 1.21 0.00 0.00 22 Q 8.69 5.07 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 23 V 8.64 4.46 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 0.80 0.00 0.00 1.00 0.00 0.00 24 L 9.52 3.43 0.00 1.79 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.99 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 0.00 0.00 0.00 26 L 7.58 4.93 0.00 1.74 1.56 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.70 5.04 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.99 0.00 0.00 28 G 9.38 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 0.00 0.00 0.00 0.00 29 L 8.77 5.06 0.00 1.58 1.56 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.59 4.42 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.56 5.41 0.00 3.04 3.15 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 32 K 8.90 4.99 0.00 1.67 1.64 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.39 7.81 33 V 8.42 4.01 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 0.74 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.41 0.00 2.09 2.01 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.22 0.00 35 S 8.91 4.26 0.00 3.98 4.02 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 36 Q 7.53 4.68 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 37 N 8.50 4.33 0.00 2.64 2.26 0.00 0.00 6.70 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 38 V 7.36 4.57 1.93 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 0.72 0.00 0.00 0.33 0.00 0.00 39 Y 8.50 4.57 0.00 3.00 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 40 D 7.96 4.80 0.00 2.92 2.82 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 41 G 8.75 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 42 T 7.96 3.90 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 1.24 0.00 0.00 43 D 9.04 4.35 0.00 2.95 2.91 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 44 F 8.65 4.37 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 45 R 8.32 3.69 0.00 1.83 2.08 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 46 N 8.24 4.30 0.00 2.91 2.91 0.00 0.00 7.07 7.33 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 47 V 8.01 3.78 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 1.18 0.00 0.00 1.01 0.00 0.00 48 C 8.33 4.27 0.00 3.09 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 49 A 8.02 3.77 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 50 K 8.18 4.14 0.00 1.87 1.91 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.73 7.81 51 T 7.53 4.47 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 1.22 0.00 0.00 52 G 7.94 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.95 4.68 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 54 Q 9.17 4.70 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 55 P 0.00 4.43 0.00 0.62 1.22 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 56 L 8.81 4.91 0.00 1.62 1.68 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 57 C 9.47 5.41 0.00 2.92 3.35 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 58 C 9.25 5.58 0.00 2.88 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 59 V 8.55 4.37 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 -0.18 0.00 0.00 0.83 0.00 0.00 60 A 7.61 4.68 1.16 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 0.00 0.00 61 P 0.00 4.52 0.00 2.17 2.33 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 1.95 1.96 0.00 62 V 7.31 4.31 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 0.73 0.00 0.00 0.92 0.00 0.00 63 A 8.43 4.42 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 64 G 8.39 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 0.00 0.00 0.00 65 Q 8.66 4.27 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 66 A 7.63 5.06 1.19 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 67 L 8.98 4.86 0.00 1.58 1.52 0.94 0.32 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 68 L 8.47 4.87 0.00 1.63 1.91 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.60 5.75 0.00 2.86 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 70 Q 9.01 5.02 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 71 T 8.34 4.26 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 1.16 0.00 0.00 72 A 8.17 4.36 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 73 V 8.55 3.60 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 0.72 0.00 0.00 0.97 0.00 0.00 74 G 8.86 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 75 A 7.59 4.30 1.19 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