NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3169 8.3349 116.7975 59.2701 64.7827 173.6500 3 R 3.6350 7.9729 115.0257 57.3889 27.7046 172.0565 4 V 4.6875 7.2583 111.6234 59.2879 36.2872 176.7460 5 C 3.8981 8.8091 124.9511 60.8267 31.5814 175.9245 6 Q 4.0551 7.7459 121.3071 56.4006 29.4035 174.2850 7 V 4.0897 8.1474 116.0063 62.3262 32.4143 176.5653 8 T 4.3821 7.6613 106.9183 60.2678 69.4683 174.1454 9 G 3.8974 8.3554 108.9417 46.2799 0.0000 173.8481 10 K 3.9767 7.6589 118.9673 56.4370 32.1202 176.7813 11 R 4.7923 8.2807 122.2823 53.1512 33.2163 173.5109 12 P 5.0712 0.0000 0.0000 62.0753 31.2389 176.5810 13 V 4.2632 8.2990 117.1979 60.9384 33.5427 175.0036 14 T 4.8523 8.5213 112.1290 60.2868 70.7445 173.9701 15 G 4.3129 8.4465 112.7031 45.5234 0.0000 170.2918 16 N 5.3169 8.8283 118.2024 51.5480 41.7603 174.8500 17 N 4.1936 8.9236 120.5479 55.1979 39.1112 175.5526 18 R 3.7352 7.9702 115.3361 57.3010 27.8993 174.8186 19 S 4.4485 8.2764 116.1459 56.8873 65.2544 173.9737 20 H 4.0798 8.5982 119.3914 57.2334 29.8348 175.2162 21 A 3.5530 8.8189 121.9755 51.8179 16.5972 177.5050 22 L 3.5946 7.3075 114.7364 56.2106 39.5430 175.0873 23 N 4.8565 7.7158 115.4576 51.8920 40.3729 176.4774 24 A 4.6000 8.6169 126.6210 52.0860 19.9999 177.3717 25 T 4.1808 8.6253 109.2471 60.9252 70.4495 172.1565 26 K 4.7937 8.6748 125.6919 56.3517 32.2012 175.5430 27 R 4.1848 8.2734 119.1108 57.4175 31.4518 172.0982 28 R 4.1093 7.8273 126.6154 55.2027 31.5000 174.9879 29 F 4.8982 9.1038 123.8874 55.7719 41.0199 174.8454 30 L 5.0159 8.1098 122.0221 53.0329 43.1910 174.4788 31 P 4.3797 0.0000 0.0000 62.7890 31.5769 175.9249 32 N 4.3317 8.4532 117.1732 55.2000 39.2726 173.1578 33 L 4.0319 7.5705 119.4140 54.6177 41.1002 174.1855 34 H 4.5027 8.8400 113.7277 55.1329 34.6218 171.5911 35 S 4.2387 8.1326 118.0197 57.8037 61.7254 170.8297 36 H 4.4358 8.3018 124.6644 54.1710 32.1252 174.2775 37 R 4.6584 6.7616 121.6711 54.9695 27.6103 175.7681 38 F 4.7139 7.9133 120.6564 57.6295 41.1077 175.9834 39 W 5.1246 9.1667 132.7002 55.7832 30.4940 175.3580 40 V 3.2470 7.8630 122.0422 62.6631 31.3032 175.9865 41 E 2.9298 6.5238 123.0175 56.7461 29.1484 176.0377 42 S 3.9722 7.6882 112.7788 61.3506 63.0769 174.9118 43 E 3.9521 7.8486 118.1329 55.2472 30.0473 175.4121 44 K 3.2726 7.4779 118.4843 57.0865 31.0326 172.7073 45 R 4.5575 5.9481 117.4128 55.7636 34.4860 174.2856 46 F 5.6727 9.0151 121.2886 56.2017 39.7695 175.3179 47 V 4.2997 8.4725 117.8861 60.2011 32.2228 175.8548 48 T 5.1754 8.5494 121.5259 60.8964 67.9970 173.7283 49 L 4.8639 8.6478 128.1208 52.4307 45.4469 176.7166 50 R 4.2141 8.2137 123.3228 55.2823 29.6054 177.8133 51 V 4.3664 7.5278 128.5701 62.3133 32.0773 174.9764 52 S 5.1671 8.6795 113.4881 57.4044 64.2538 176.5390 53 A 4.0530 8.5164 124.8641 53.8042 19.0380 177.1497 54 K 4.3046 9.1644 126.8065 57.7605 31.6537 178.5999 55 G 3.7563 7.6515 103.9095 47.3752 0.0000 175.0811 56 M 4.3040 8.0331 120.4313 57.9060 32.3816 178.4716 57 R 3.9622 8.0655 118.1566 58.8148 30.0856 179.3909 58 V 3.5112 7.2914 118.3761 66.1682 31.6768 177.8730 59 I 3.6098 7.7816 119.0023 64.5707 36.5157 178.0134 60 D 4.3422 7.4894 118.8658 57.1124 40.8916 178.3717 61 K 4.0690 7.9979 118.8604 59.9520 32.3107 177.9365 62 K 4.2724 8.7691 118.0675 54.2256 32.7354 176.3141 63 G 4.5081 7.1245 114.1737 44.6845 0.0000 173.2633 64 I 3.0987 7.7986 124.8911 63.4247 37.0059 177.4581 65 D 4.4872 7.6818 118.7530 55.8950 41.9647 178.4938 66 T 3.9274 7.5946 115.0808 66.2222 68.8732 176.6875 67 V 3.6160 8.4401 121.4111 66.0288 31.3439 178.1945 68 L 3.7804 7.3115 117.5121 56.6590 41.0427 179.2022 69 A 3.8854 7.8289 121.2429 56.4851 19.0661 178.8242 70 E 4.3607 8.3731 124.1740 54.4399 30.6969 177.2919 71 L 3.8139 9.2435 121.8591 56.6598 41.5091 175.9302 72 R 4.0352 6.4722 121.6516 59.4013 30.4413 179.8770 73 A 3.9408 8.0912 121.8361 55.2590 18.3096 178.4758 74 R 4.2030 8.0092 109.1597 55.7617 29.9865 176.0912 75 G 3.6989 7.7436 108.0563 46.2688 0.0000 171.7523 76 E 4.8542 7.6905 121.8568 53.8460 33.8558 177.3830 77 K 4.3280 8.2993 120.5236 56.6846 32.2288 176.2608 78 Y 3.9670 8.6999 118.5487 58.1643 39.5690 169.4531 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 S 8.33 4.32 0.00 3.89 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 3 R 7.97 3.63 0.00 2.02 1.97 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 4 V 7.26 4.69 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 0.95 0.00 0.00 0.95 0.00 0.00 5 C 8.81 3.90 0.00 2.94 3.13 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 6 Q 7.75 4.06 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 7 V 8.15 4.09 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 0.82 0.00 0.00 0.86 0.00 0.00 8 T 7.66 4.38 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 9 G 8.36 3.90 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 0.00 0.00 0.00 10 K 7.66 3.98 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 11 R 8.28 4.79 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 12 P 0.00 5.07 0.00 2.21 2.12 0.00 3.38 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 13 V 8.30 4.26 2.15 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 0.80 0.00 0.00 1.10 0.00 0.00 14 T 8.52 4.85 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 15 G 8.45 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 0.00 0.00 0.00 0.00 16 N 8.83 5.32 0.00 2.60 2.70 0.00 0.00 6.78 8.00 0.00 0.00 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 N 8.92 4.19 0.00 2.71 2.85 0.00 0.00 7.07 7.05 0.00 0.00 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 R 7.97 3.74 0.00 1.87 1.91 0.00 3.30 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 19 S 8.28 4.45 0.00 4.08 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 20 H 8.60 4.08 0.00 3.26 3.24 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.82 3.55 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 22 L 7.31 3.59 0.00 1.73 1.72 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.72 4.86 0.00 2.78 2.75 0.00 0.00 6.99 7.44 0.00 0.00 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 A 8.62 4.60 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 25 T 8.63 4.18 4.22 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 1.20 0.00 0.00 26 K 8.67 4.79 0.00 1.64 1.79 0.00 1.93 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.27 7.81 27 R 8.27 4.18 0.00 1.47 1.93 0.00 2.21 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 28 R 7.83 4.11 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.74 0.00 29 F 9.10 4.90 0.00 3.09 2.97 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 30 L 8.11 5.02 0.00 1.71 1.61 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.38 0.00 2.07 2.09 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 32 N 8.45 4.33 0.00 2.70 2.86 0.00 0.00 7.07 7.78 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 33 L 7.57 4.03 0.00 1.72 1.60 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.84 4.50 0.00 3.12 3.25 0.00 5.86 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 35 S 8.13 4.24 0.00 4.15 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 36 H 8.30 4.44 0.00 2.96 2.31 0.00 5.83 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 6.76 4.66 0.00 1.45 1.36 0.00 2.21 0.00 0.00 2.91 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.00 38 F 7.91 4.71 0.00 3.36 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 39 W 9.17 5.12 0.00 3.34 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 40 V 7.86 3.25 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 0.64 0.00 0.00 0.56 0.00 0.00 41 E 6.52 2.93 0.00 2.03 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 2.76 2.35 0.00 42 S 7.69 3.97 0.00 3.94 3.90 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 43 E 7.85 3.95 0.00 1.87 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 2.22 2.25 0.00 44 K 7.48 3.27 0.00 1.70 1.70 0.00 2.05 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.49 7.81 45 R 5.95 4.56 0.00 1.83 1.62 0.00 3.25 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 46 F 9.02 5.67 0.00 3.23 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 47 V 8.47 4.30 2.37 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 0.92 0.00 0.00 1.07 0.00 0.00 48 T 8.55 5.18 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 1.27 0.00 0.00 49 L 8.65 4.86 0.00 1.82 1.61 0.83 0.97 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 50 R 8.21 4.21 0.00 1.79 1.90 0.00 3.30 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 51 V 7.53 4.37 2.24 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 1.08 0.00 0.00 1.36 0.00 0.00 52 S 8.68 5.17 0.00 4.11 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 53 A 8.52 4.05 1.31 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 0.00 0.00 0.00 54 K 9.16 4.30 0.00 1.96 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 G 7.65 3.76 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 0.00 0.00 0.00 56 M 8.03 4.30 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 3.05 0.00 57 R 8.07 3.96 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 58 V 7.29 3.51 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 0.98 0.00 0.00 0.98 0.00 0.00 59 I 7.78 3.61 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.45 0.27 0.00 0.00 60 D 7.49 4.34 0.00 2.81 2.73 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 61 K 8.00 4.07 0.00 1.80 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 K 8.77 4.27 0.00 1.66 1.68 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.40 7.81 63 G 7.12 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.10 1.76 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 1.61 0.51 0.70 0.00 0.00 65 D 7.68 4.49 0.00 2.60 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 66 T 7.59 3.93 4.32 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 1.17 0.00 0.00 67 V 8.44 3.62 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 0.87 0.00 0.00 0.81 0.00 0.00 68 L 7.31 3.78 0.00 1.64 1.33 0.65 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.83 3.89 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 70 E 8.37 4.36 0.00 2.04 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 71 L 9.24 3.81 0.00 1.89 1.57 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.47 4.04 0.00 2.25 2.59 0.00 2.82 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.66 0.00 73 A 8.09 3.94 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 74 R 8.01 4.20 0.00 1.95 2.05 0.00 3.26 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 75 G 7.74 3.70 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 0.00 0.00 0.00 76 E 7.69 4.85 0.00 1.95 1.95 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 2.25 2.30 0.00 77 K 8.30 4.33 0.00 1.96 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.54 7.81 78 Y 8.70 3.97 0.00 3.12 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