NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3582 8.2649 123.5826 52.1793 18.8561 176.1904 10 M 3.8330 8.2118 121.2978 55.9280 32.4675 176.2733 11 G 3.8767 7.8901 106.1836 43.5955 0.0000 170.5578 12 P 4.4179 0.0000 0.0000 62.5512 31.9466 175.1149 13 I 4.4963 8.1078 121.1797 60.8020 38.0232 175.1209 14 I 4.7846 8.9785 120.0308 59.3897 41.7376 174.0623 15 T 5.1165 8.4189 118.0609 61.9806 71.1395 173.6261 16 T 4.6803 9.1777 120.7829 60.3161 70.6706 172.4096 17 Q 5.1834 8.6547 125.8003 54.4599 31.5532 174.9950 18 V 4.7123 8.7795 115.1179 60.0917 36.7011 174.2446 19 T 5.2031 8.4588 111.5408 60.0944 71.3572 173.5711 20 I 4.7320 8.4823 115.5539 58.1641 41.4584 173.2254 21 P 4.6353 0.0000 0.0000 62.7030 32.1409 177.5504 22 K 3.9592 9.0490 123.7497 59.7419 31.8624 178.6879 23 D 4.5534 8.0533 117.0409 55.9730 41.3097 177.2192 24 L 4.4308 7.7826 118.6870 55.0091 42.0041 178.1601 25 A 4.2442 7.9680 121.9070 54.7336 18.2445 179.8278 26 G 3.6154 8.1335 104.1246 48.3152 0.0000 175.8783 27 S 4.2308 7.5151 115.1484 61.2300 62.8383 176.5403 28 I 3.9942 7.4494 121.2689 64.0124 37.4389 178.0632 29 I 3.8649 8.0114 120.9813 63.3520 37.3265 177.5430 30 G 4.2597 8.0353 104.4338 44.9144 0.0000 172.6035 31 K 3.9121 8.5802 120.5359 57.9000 32.3251 176.9795 32 G 3.9027 9.6939 113.4908 46.3963 0.0000 173.6642 33 G 3.9468 8.3500 105.2008 46.3888 0.0000 176.6756 34 Q 4.0220 7.9683 121.4315 58.4261 28.5368 178.7059 35 R 3.8504 7.8831 119.4076 59.4243 30.2274 178.0997 36 I 3.7284 7.8331 120.9207 64.6809 37.9976 178.2443 37 K 3.8836 7.8651 124.0450 60.0926 31.5398 180.5200 38 Q 4.2056 8.0145 120.4635 58.9975 29.0090 178.4259 39 I 3.7132 7.7619 120.7323 64.5905 37.2230 178.4623 40 R 4.1777 8.2158 120.5213 59.0500 29.6534 178.6368 41 H 4.2806 7.9447 116.5116 58.7796 29.9244 176.6148 42 E 4.0292 7.8038 120.0018 59.0212 29.8265 178.3831 43 S 4.4660 8.0460 112.9519 59.2938 63.3013 175.4968 44 G 3.8557 7.9835 108.4862 45.2129 0.0000 173.3115 45 A 4.4730 7.5655 121.5339 51.5630 20.1993 177.2165 46 S 4.4863 8.8778 116.8870 58.3054 64.4717 173.7212 47 I 5.0358 8.2757 123.9544 59.5388 40.4145 174.4077 48 K 4.5717 9.1869 129.0879 54.5213 34.8477 174.5300 49 I 4.8545 8.2533 127.9366 59.5109 38.7953 175.4792 50 D 4.6629 9.0193 130.0674 54.3753 41.5652 177.1109 51 E 4.0683 9.1500 116.2442 56.3538 30.3596 177.4585 52 P 4.0422 0.0000 0.0000 65.1562 31.9389 177.1113 53 L 4.2301 7.5707 115.4105 54.4370 41.2825 174.7834 54 E 4.2543 8.6441 122.1640 58.5055 29.8691 175.5555 55 G 4.2460 9.3506 115.9064 45.2044 0.0000 172.9618 56 S 4.7397 6.9797 111.6038 56.2319 65.5268 173.1938 57 E 4.4273 8.5156 119.6390 56.5187 30.2387 174.6467 58 D 5.4033 7.9318 117.4484 53.2589 43.4412 175.6568 59 R 4.6222 8.7659 121.3821 54.6380 33.5809 174.0814 60 I 4.5405 8.3995 126.8447 60.8528 38.9629 174.4890 61 I 4.8343 9.0119 127.9740 59.9166 39.6349 174.5638 62 T 4.8888 8.9117 124.2725 61.9336 70.8281 173.4581 63 I 4.9242 9.3730 128.6431 59.7771 40.1053 174.7546 64 T 4.9807 9.2476 123.9400 61.6799 71.9147 174.2469 65 G 4.0797 8.1658 113.5454 45.0175 0.0000 172.2551 66 T 4.6854 7.6990 111.6914 60.6796 70.7031 174.8339 67 Q 3.9444 8.6101 121.8686 59.7299 28.9315 178.4006 68 D 4.3636 8.0507 119.1615 57.4171 40.9171 178.6098 69 Q 4.1396 7.9807 118.0961 59.0359 28.7291 178.9777 70 I 3.6877 8.1145 121.1914 64.2434 37.1714 178.1782 71 Q 3.8199 8.2855 120.6276 59.2019 28.9060 177.4611 72 N 4.3358 8.6255 118.1963 57.1773 38.8903 176.2976 73 A 4.0410 8.6317 121.9174 55.5442 18.4086 179.6785 74 Q 4.0164 8.2432 116.3716 59.0091 28.6235 178.5246 75 Y 4.1672 7.9138 117.8953 61.1913 37.9837 178.5457 76 L 4.0514 8.1124 119.9256 57.6872 41.2694 179.3784 77 L 4.0086 8.4186 119.4491 58.1207 41.5892 179.7478 78 Q 4.0814 7.9083 117.3667 59.0126 28.5822 178.2997 79 N 4.5395 8.5421 117.7275 56.4214 38.2741 177.6319 80 S 4.1396 7.9113 115.9932 61.3909 62.9693 176.6418 81 V 3.8151 7.3858 121.0125 66.3759 31.5350 178.2950 82 K 4.1608 8.3911 124.8930 60.0241 31.6394 179.1914 83 Q 4.4263 7.6667 121.7035 54.7774 29.0747 176.8196 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 9 A 8.26 4.36 1.28 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 10 M 8.21 3.83 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 11 G 7.89 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 12 P 0.00 4.42 0.00 2.23 2.19 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 13 I 8.11 4.50 1.87 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 1.40 0.56 0.91 0.00 0.00 14 I 8.98 4.78 1.87 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 1.30 0.92 0.91 0.00 0.00 15 T 8.42 5.12 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 16 T 9.18 4.68 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 1.19 0.00 0.00 17 Q 8.65 5.18 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 18 V 8.78 4.71 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 0.72 0.00 0.00 0.91 0.00 0.00 19 T 8.46 5.20 4.30 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 1.21 0.00 0.00 20 I 8.48 4.73 1.87 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 1.22 0.76 0.91 0.00 0.00 21 P 0.00 4.64 0.00 2.20 2.02 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 22 K 9.05 3.96 0.00 1.80 1.94 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.44 1.49 7.81 23 D 8.05 4.55 0.00 2.67 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 24 L 7.78 4.43 0.00 1.86 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.24 1.38 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 26 G 8.13 3.62 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 0.00 0.00 0.00 27 S 7.52 4.23 0.00 4.08 4.12 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 28 I 7.45 3.99 2.01 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 1.64 0.48 0.92 0.00 0.00 29 I 8.01 3.86 1.87 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 1.46 0.84 0.91 0.00 0.00 30 G 8.04 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 0.00 0.00 0.00 0.00 31 K 8.58 3.91 0.00 1.89 1.73 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.03 7.81 32 G 9.69 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 33 G 8.35 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 0.00 0.00 0.00 34 Q 7.97 4.02 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 35 R 7.88 3.85 0.00 1.92 2.04 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 36 I 7.83 3.73 1.99 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 1.39 1.34 0.99 0.00 0.00 37 K 7.87 3.88 0.00 1.80 1.83 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 38 Q 8.01 4.21 0.00 2.33 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 39 I 7.76 3.71 2.01 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 1.54 0.93 0.93 0.00 0.00 40 R 8.22 4.18 0.00 1.99 2.01 0.00 3.14 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 41 H 7.94 4.28 0.00 3.16 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.80 4.03 0.00 2.10 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 0.00 2.30 2.28 0.00 43 S 8.05 4.47 0.00 4.32 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 44 G 7.98 3.86 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 0.00 0.00 0.00 45 A 7.57 4.47 1.26 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 0.00 0.00 0.00 46 S 8.88 4.49 0.00 3.79 3.79 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 0.00 0.00 0.00 0.00 47 I 8.28 5.04 1.88 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 1.23 0.77 0.91 0.00 0.00 48 K 9.19 4.57 0.00 1.78 1.62 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.37 7.81 49 I 8.25 4.85 1.87 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 1.34 0.76 0.91 0.00 0.00 50 D 9.02 4.66 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.15 4.07 0.00 1.99 1.74 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 2.23 1.90 0.00 52 P 0.00 4.04 0.00 2.08 2.28 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 53 L 7.57 4.23 0.00 1.70 1.66 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.64 4.25 0.00 1.93 1.87 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 2.29 2.30 0.00 55 G 9.35 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 0.00 0.00 0.00 0.00 56 S 6.98 4.74 0.00 3.78 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 57 E 8.52 4.43 0.00 2.11 1.94 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 2.33 2.39 0.00 58 D 7.93 5.40 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.62 0.00 1.82 1.71 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 60 I 8.40 4.54 2.02 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 1.34 0.54 0.91 0.00 0.00 61 I 9.01 4.83 1.86 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 1.23 0.74 0.91 0.00 0.00 62 T 8.91 4.89 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 63 I 9.37 4.92 1.86 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 1.22 0.65 0.91 0.00 0.00 64 T 9.25 4.98 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 65 G 8.17 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 66 T 7.70 4.69 4.37 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 1.24 0.00 0.00 67 Q 8.61 3.94 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 68 D 8.05 4.36 0.00 2.77 2.72 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 0.00 0.00 0.00 69 Q 7.98 4.14 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 70 I 8.11 3.69 2.00 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 1.40 0.87 0.89 0.00 0.00 71 Q 8.29 3.82 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 72 N 8.63 4.34 0.00 3.02 3.06 0.00 0.00 7.17 8.17 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 73 A 8.63 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 74 Q 8.24 4.02 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 75 Y 7.91 4.17 0.00 3.28 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 76 L 8.11 4.05 0.00 1.75 1.75 0.94 0.69 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 77 L 8.42 4.01 0.00 1.82 1.73 0.94 0.87 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 78 Q 7.91 4.08 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 79 N 8.54 4.54 0.00 2.95 2.90 0.00 0.00 7.04 8.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.91 4.14 0.00 4.03 4.12 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 81 V 7.39 3.82 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 0.79 0.00 0.00 0.97 0.00 0.00 82 K 8.39 4.16 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.35 7.81 83 Q 7.67 4.43 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00