NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3858 8.3301 115.2957 58.2781 63.4036 173.5695 2 A 4.0665 9.1981 129.4341 51.7969 19.1188 174.4162 3 G 3.7265 8.2670 102.8263 43.5531 0.0000 170.6943 4 K 4.9903 8.1825 118.3304 55.2875 33.8782 176.3878 5 F 5.2966 9.3910 122.4899 55.7985 44.3014 173.5507 6 I 4.9352 8.9858 120.5434 59.5746 40.3995 174.9650 7 V 4.4884 8.4616 126.9127 60.8076 34.2968 174.0504 8 I 4.7546 8.2587 128.4635 59.4366 39.7794 175.4157 9 F 4.9106 9.0391 126.1786 56.8061 40.0084 175.8227 10 K 4.3418 8.7986 120.4069 56.5027 32.8702 178.1497 11 N 4.6060 8.9805 119.4758 54.8678 38.7124 175.4626 12 D 4.7332 7.8710 116.9078 52.7873 39.9732 176.2519 13 V 3.8199 7.3337 121.2225 62.3664 32.2461 176.7133 14 S 4.3545 8.3567 122.0108 58.1251 65.0430 175.1171 15 E 3.8804 8.5227 121.9514 59.5806 29.1668 179.3774 16 D 4.2888 7.9288 118.5455 57.2198 40.8819 178.5660 17 K 3.9631 7.9160 119.9362 59.3479 32.2306 178.9623 18 I 3.0293 7.5258 120.1217 64.0916 36.9272 178.3608 19 R 3.7870 7.9541 119.5213 59.3831 29.9363 178.0217 20 E 3.9062 8.5108 119.5137 59.5943 29.5772 178.9415 21 T 4.0075 8.2528 115.9830 66.7961 68.7068 176.8621 22 K 3.6724 7.9175 120.1509 59.3717 31.9097 179.2182 23 D 4.3496 8.2659 119.3683 57.2370 40.6088 178.4782 24 E 3.8995 8.2760 119.9646 59.1237 29.6043 178.8190 25 V 3.6016 7.8416 118.3643 66.2935 31.5290 178.1754 26 I 4.1123 7.9136 119.9617 63.8179 36.7437 178.2469 27 A 4.0299 7.9596 120.8065 55.2015 18.2624 179.1935 28 E 4.1500 8.2374 116.0796 57.2795 29.6006 177.5082 29 G 4.0027 7.3263 107.0504 45.1370 0.0000 174.0434 30 G 4.3520 8.5840 109.7611 45.0089 0.0000 172.8792 31 T 4.9403 8.8299 108.8843 60.1518 73.0739 173.0944 32 I 4.8453 8.3587 122.1728 60.1719 38.8003 175.4957 33 T 4.5207 9.1440 117.9501 62.1142 70.7009 174.0227 34 N 4.8792 7.6927 117.9447 52.3312 43.1299 173.1616 35 E 4.8455 8.3557 120.1479 54.7121 33.7896 174.5354 36 Y 4.8663 8.8136 120.8698 56.2628 41.0760 174.9690 37 N 5.6409 8.7779 121.8313 52.0513 38.6884 172.7958 38 M 4.8161 8.9801 122.2826 51.7241 35.5172 173.9148 39 P 4.3736 0.0000 0.0000 64.3412 31.5918 176.9534 40 G 3.8688 10.2358 111.1895 45.5716 0.0000 173.1677 41 M 4.5379 8.1857 120.2986 54.4442 33.4306 173.1017 42 K 5.2111 8.3092 125.1490 54.2489 35.9110 176.7956 43 G 3.8735 8.6601 108.6533 47.2487 0.0000 171.3361 44 F 4.8807 7.5940 113.7965 56.2638 41.8095 172.7326 45 A 5.0844 9.7133 120.2934 49.7680 22.8711 175.7675 46 G 4.6473 7.9548 106.0859 45.4447 0.0000 171.1017 47 E 5.1052 8.4020 119.6234 55.6464 30.9767 176.1931 48 L 5.2337 8.9018 123.9656 52.9458 45.2122 176.7481 49 T 4.4528 8.3857 112.5436 60.5024 70.1011 173.6947 50 P 4.1951 0.0000 0.0000 65.8544 31.3976 178.9388 51 Q 3.8874 7.9783 115.8559 59.3397 28.3278 178.8536 52 S 3.6188 7.5696 116.1598 60.8366 62.8134 176.1479 53 L 3.6268 7.5763 123.2409 58.4113 41.7465 179.2887 54 T 4.0500 7.8782 111.1217 63.9166 68.6131 176.3727 55 K 3.8300 7.6669 122.1282 59.4366 32.0173 178.8542 56 F 4.5995 7.6632 116.7823 60.8089 38.8846 177.4013 57 Q 4.2646 8.4548 118.0000 58.9222 28.2685 179.0790 58 G 3.7755 8.2510 106.0324 47.0330 0.0000 174.7275 59 L 4.5805 7.7024 120.0142 53.4754 41.7574 176.0448 60 Q 4.2791 7.2267 121.7916 57.7081 29.2272 176.7891 61 G 3.9665 9.4668 114.8613 45.0726 0.0000 172.1343 62 D 4.7132 7.2562 116.0926 54.4778 44.3092 176.2336 63 L 4.4160 7.8795 120.1067 56.6679 44.4693 176.3164 64 I 4.7093 7.6578 119.3321 59.7543 38.9181 176.2526 65 D 4.6548 9.2306 127.1388 56.5534 42.0912 176.6040 66 S 4.8216 7.4763 110.1396 57.3179 66.2143 173.7579 67 I 5.0549 8.1612 121.8164 59.5785 40.7201 173.6619 68 E 4.9395 9.0937 126.1289 54.7079 33.5303 174.3495 69 E 3.9327 8.6511 119.7540 56.2115 30.5151 176.8183 70 D 4.4377 8.2142 123.9117 53.7642 41.1182 175.9382 71 H 4.6058 8.4029 123.5143 55.0259 30.0390 174.8464 72 V 4.2762 8.1160 119.1798 61.0647 33.5406 174.3394 73 A 4.7592 8.2288 128.4850 50.6655 21.6024 175.0771 74 H 4.6426 8.0218 114.9769 54.0110 33.0869 174.2061 75 A 4.4164 7.9958 125.5491 49.9210 17.6997 177.2410 76 Y 4.4387 7.0005 123.4023 57.3623 37.3764 174.8495 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 S 8.33 4.39 0.00 3.89 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 2 A 9.20 4.07 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 3 G 8.27 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.99 0.00 1.55 1.66 0.00 1.55 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.41 7.81 5 F 9.39 5.30 0.00 2.99 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 6 I 8.99 4.94 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.96 0.00 0.00 7 V 8.46 4.49 0.67 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 0.08 0.00 0.00 0.43 0.00 0.00 8 I 8.26 4.75 1.77 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 1.11 0.77 0.94 0.00 0.00 9 F 9.04 4.91 0.00 2.91 2.94 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 10 K 8.80 4.34 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.74 7.81 11 N 8.98 4.61 0.00 2.73 2.88 0.00 0.00 6.89 8.06 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 12 D 7.87 4.73 0.00 2.78 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 13 V 7.33 3.82 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 0.64 0.00 0.00 1.09 0.00 0.00 14 S 8.36 4.35 0.00 4.04 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 15 E 8.52 3.88 0.00 1.95 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 2.35 2.31 0.00 16 D 7.93 4.29 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 17 K 7.92 3.96 0.00 1.86 1.86 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 18 I 7.53 3.03 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.43 0.67 0.00 0.00 19 R 7.95 3.79 0.00 1.81 2.03 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 20 E 8.51 3.91 0.00 2.12 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 0.00 2.33 2.36 0.00 21 T 8.25 4.01 4.66 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 1.53 0.00 0.00 22 K 7.92 3.67 0.00 1.67 1.59 0.00 1.47 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.32 7.81 23 D 8.27 4.35 0.00 2.81 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 24 E 8.28 3.90 0.00 2.22 2.20 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 2.30 2.32 0.00 25 V 7.84 3.60 2.21 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 1.19 0.00 0.00 1.23 0.00 0.00 26 I 7.91 4.11 2.00 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 1.39 1.40 0.90 0.00 0.00 27 A 7.96 4.03 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 28 E 8.24 4.15 0.00 2.07 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 2.48 2.40 0.00 29 G 7.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 4.35 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 0.00 31 T 8.83 4.94 4.27 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 1.24 0.00 0.00 32 I 8.36 4.85 1.83 0.00 0.00 0.50 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 0.80 0.88 0.00 0.00 33 T 9.14 4.52 4.26 0.00 0.00 0.00 0.00 0.00 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 34 N 7.69 4.88 0.00 2.55 2.32 0.00 0.00 6.90 7.66 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 35 E 8.36 4.85 0.00 1.71 1.76 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 2.18 2.24 0.00 36 Y 8.81 4.87 0.00 3.08 2.81 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 37 N 8.78 5.64 0.00 2.71 2.70 0.00 0.00 6.98 7.65 0.00 0.00 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 M 8.98 4.82 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 39 P 0.00 4.37 0.00 2.18 2.08 0.00 3.82 0.00 0.00 3.67 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 40 G 10.24 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 41 M 8.19 4.54 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 42 K 8.31 5.21 0.00 1.98 1.80 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 43 G 8.66 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 44 F 7.59 4.88 0.00 3.17 3.11 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 45 A 9.71 5.08 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 46 G 7.95 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 5.11 0.00 2.02 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 2.36 2.33 0.00 48 L 8.90 5.23 0.00 1.53 1.46 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.39 4.45 4.35 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 1.28 0.00 0.00 50 P 0.00 4.20 0.00 2.15 2.12 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 2.11 2.16 0.00 51 Q 7.98 3.89 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 52 S 7.57 3.62 0.00 3.86 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 L 7.58 3.63 0.00 1.31 1.62 0.11 0.47 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 54 T 7.88 4.05 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 1.17 0.00 0.00 55 K 7.67 3.83 0.00 1.80 1.63 0.00 1.56 0.00 0.00 1.49 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 56 F 7.66 4.60 0.00 3.08 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 57 Q 8.45 4.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 58 G 8.25 3.78 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 0.00 0.00 0.00 59 L 7.70 4.58 0.00 1.85 1.77 1.07 0.92 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 60 Q 7.23 4.28 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 61 G 9.47 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.26 4.71 0.00 2.65 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 63 L 7.88 4.42 0.00 1.92 1.74 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.66 4.71 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.84 0.00 0.00 65 D 9.23 4.65 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 66 S 7.48 4.82 0.00 3.85 3.85 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 0.00 0.00 0.00 67 I 8.16 5.05 1.78 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 1.41 0.88 0.91 0.00 0.00 68 E 9.09 4.94 0.00 2.06 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 2.35 2.25 0.00 69 E 8.65 3.93 0.00 1.65 1.58 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 1.91 2.32 0.00 70 D 8.21 4.44 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.40 4.61 0.00 3.13 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.12 4.28 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 0.63 0.00 0.00 0.90 0.00 0.00 73 A 8.23 4.76 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.02 4.64 0.00 2.03 2.00 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.00 4.42 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 76 Y 7.00 4.44 0.00 2.90 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