NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0655 8.0544 120.3928 63.4995 32.1302 174.2162 12 Q 4.8917 9.1773 135.0000 55.0434 30.1251 169.1360 13 R 3.6926 8.2945 123.9948 55.0274 31.0642 173.6763 14 P 4.1152 0.0000 0.0000 66.4151 31.0732 178.3235 15 L 3.9892 7.9111 117.8880 58.3324 42.0720 179.2465 16 D 4.5804 8.1136 118.0123 57.1916 40.8491 178.3255 17 A 4.0184 8.0790 121.3812 54.9058 18.2277 179.2685 18 L 3.7813 7.9658 119.0219 58.4029 42.1939 179.3727 19 G 3.6626 7.9771 104.9553 48.2374 0.0000 175.1277 20 N 4.5372 8.2743 117.5486 55.4007 38.7425 175.9177 21 S 4.6473 8.5496 116.1590 57.8236 63.3884 173.7814 22 L 4.2417 7.5202 121.6298 56.5574 41.5418 177.0389 23 N 4.5349 9.5299 120.3119 53.4400 36.8219 173.7469 24 S 4.9372 7.7614 114.0696 55.7198 67.2276 171.5885 25 P 4.9249 0.0000 0.0000 62.9016 32.2454 176.2106 26 V 4.9605 8.8957 115.9897 59.7543 36.7534 174.3036 27 I 4.7884 9.4477 124.0688 59.7728 40.0565 174.6570 28 I 4.6419 8.9161 128.8460 59.5448 39.2075 174.4733 29 K 4.5144 8.4923 129.4328 54.7651 33.7675 175.4947 30 L 5.1407 8.5382 127.1163 52.4695 44.9185 176.2604 31 K 4.2184 8.6129 120.7886 58.0471 31.8475 178.2154 32 G 3.8539 8.6425 110.4533 44.7143 0.0000 174.3195 33 D 4.5088 7.9395 117.5571 54.7663 39.0558 174.3375 34 R 4.2339 7.2480 119.2923 56.2689 31.5634 175.2763 35 E 5.1300 8.3092 121.1239 54.6652 33.5515 174.0442 36 F 5.3248 9.2778 123.4673 55.8367 43.5628 174.0906 37 R 5.1123 9.3100 120.2056 54.2796 34.4766 174.9535 38 G 4.1625 7.9733 108.8698 46.2380 0.0000 171.5682 39 V 4.5568 7.9851 120.5598 61.5710 32.8260 175.1527 40 L 4.5143 8.6067 130.8414 55.7008 42.2532 177.1909 41 K 4.7322 9.1339 125.5682 57.3336 34.6895 176.1765 42 S 4.7205 7.8245 111.6491 57.8859 65.5456 174.1862 43 F 5.8990 8.2005 116.6899 57.3726 40.3414 172.7279 44 D 5.0564 8.3064 119.6560 51.3189 42.0190 176.4159 45 L 4.1256 8.4095 117.5996 57.9896 41.6333 177.9658 46 H 4.4762 8.9294 115.2538 56.2301 29.0601 176.2620 47 M 3.3309 8.2381 118.0721 55.8225 29.7714 176.2181 48 N 4.9591 8.2513 116.9161 53.3868 39.9222 174.1356 49 L 5.1114 9.2016 122.7073 54.6757 44.9773 174.4191 50 V 4.9298 8.9647 119.4695 61.0934 34.2754 174.1411 51 L 5.3360 8.8467 126.8336 53.1024 44.9889 175.1796 52 N 5.1443 8.8422 119.7801 51.8941 41.7653 174.4344 53 D 4.4930 8.7383 118.4511 55.3527 38.7122 174.1459 54 A 4.6574 7.7705 119.6430 52.3703 20.0999 177.6819 55 E 5.0412 9.3259 119.6207 55.0391 34.4065 174.2558 56 E 4.0275 8.7884 125.6068 55.1252 31.2157 174.9450 57 L 5.2298 8.4617 125.0842 53.1633 45.7611 176.2705 58 E 4.3315 8.5110 119.6257 56.3885 32.9292 176.2017 59 D 4.3747 9.5649 122.4615 54.5572 38.6513 174.6922 60 G 4.0279 8.3500 106.4974 44.9008 0.0000 173.0610 61 E 4.5738 8.0574 121.1975 53.4953 31.7488 175.3305 62 V 3.9661 8.3795 125.2202 64.2551 31.8920 175.3498 63 T 4.6873 8.1355 121.1720 63.4856 71.2471 174.5227 64 R 4.4016 7.4806 114.0147 55.4432 32.1273 173.6430 65 R 4.8111 8.8093 121.5403 55.1864 31.1012 176.0574 66 L 4.4576 8.9196 123.2225 53.0139 42.6617 179.0167 67 G 3.6229 8.2458 108.6175 46.7970 0.0000 173.9187 68 T 4.8007 8.5092 120.9894 63.5553 69.1565 174.3938 69 V 4.4537 9.0203 125.6652 59.9227 35.2573 173.7950 70 L 4.8559 8.5419 125.9486 53.8100 43.2711 175.1524 71 I 4.3712 9.0114 128.4977 59.4044 39.8562 175.4952 72 R 4.5443 8.4924 126.3581 55.5216 30.8706 177.5674 73 G 3.8327 9.1687 112.3678 47.9034 0.0000 174.7305 74 D 4.3846 8.1869 118.2552 57.0305 41.1825 176.9909 75 N 4.6458 7.9985 114.2786 53.7757 39.2385 175.0406 76 I 4.1959 8.0261 120.7449 61.4037 37.8056 175.4466 77 V 4.2635 8.5285 125.9455 64.6013 32.3347 175.3198 78 Y 5.0259 7.2013 116.1918 55.9088 41.2313 173.0747 79 I 5.0990 8.4984 120.7757 59.8225 40.2603 174.8432 80 S 4.7576 9.1508 119.7948 56.4661 66.5753 172.9318 81 R 4.6190 8.6912 123.9593 56.2060 30.4569 175.9552 82 G 4.1803 8.1775 110.5550 44.4053 0.0000 172.8371 83 K 4.2773 8.6770 117.8895 56.9597 32.3667 175.4188 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 11 V 8.05 4.07 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 0.96 0.00 0.00 0.93 0.00 0.00 12 Q 9.18 4.89 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 5.93 0.00 0.00 0.00 0.00 0.00 2.09 2.51 0.00 13 R 8.29 3.69 0.00 2.04 1.91 0.00 3.38 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 14 P 0.00 4.12 0.00 2.15 2.06 0.00 3.62 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 2.12 2.20 0.00 15 L 7.91 3.99 0.00 1.67 1.90 1.15 1.06 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 16 D 8.11 4.58 0.00 3.19 2.74 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 0.00 0.00 0.00 17 A 8.08 4.02 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 18 L 7.97 3.78 0.00 1.57 1.11 -0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.98 3.66 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 0.00 0.00 0.00 0.00 20 N 8.27 4.54 0.00 2.93 2.91 0.00 0.00 6.94 8.43 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 21 S 8.55 4.65 0.00 3.89 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 22 L 7.52 4.24 0.00 1.75 1.69 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.53 4.53 0.00 2.87 3.04 0.00 0.00 6.85 7.61 0.00 0.00 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 S 7.76 4.94 0.00 3.92 3.74 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 0.00 0.00 0.00 25 P 0.00 4.92 0.00 2.35 1.98 0.00 3.55 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 2.12 2.13 0.00 26 V 8.90 4.96 2.09 0.00 0.00 0.00 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 0.97 0.00 0.00 27 I 9.45 4.79 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.05 0.00 0.00 28 I 8.92 4.64 1.92 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 1.15 0.96 0.86 0.00 0.00 29 K 8.49 4.51 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.76 1.09 7.81 30 L 8.54 5.14 0.00 1.75 1.55 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.61 4.22 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.55 7.81 32 G 8.64 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 0.00 0.00 0.00 33 D 7.94 4.51 0.00 2.87 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 34 R 7.25 4.23 0.00 2.05 2.01 0.00 3.23 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 35 E 8.31 5.13 0.00 1.92 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 36 F 9.28 5.32 0.00 3.00 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 37 R 9.31 5.11 0.00 1.70 1.78 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 7.97 4.16 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 0.00 39 V 7.99 4.56 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 0.98 0.00 0.00 0.95 0.00 0.00 40 L 8.61 4.51 0.00 1.88 1.72 0.99 0.21 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 41 K 9.13 4.73 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.66 7.81 42 S 7.82 4.72 0.00 3.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 5.90 0.00 3.06 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 44 D 8.31 5.06 0.00 2.89 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 45 L 8.41 4.13 0.00 1.52 1.72 0.90 1.05 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 46 H 8.93 4.48 0.00 3.36 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.24 3.33 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 48 N 8.25 4.96 0.00 2.83 2.74 0.00 0.00 6.53 6.74 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 49 L 9.20 5.11 0.00 1.93 1.85 0.90 0.48 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 50 V 8.96 4.93 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 1.00 0.00 0.00 0.93 0.00 0.00 51 L 8.85 5.34 0.00 1.60 1.53 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.84 5.14 0.00 2.73 2.71 0.00 0.00 6.86 7.43 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 53 D 8.74 4.49 0.00 2.84 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 54 A 7.77 4.66 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 55 E 9.33 5.04 0.00 1.86 1.78 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 2.24 2.43 0.00 56 E 8.79 4.03 0.00 1.16 1.51 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 1.97 1.81 0.00 57 L 8.46 5.23 0.00 1.37 1.44 0.96 0.75 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 58 E 8.51 4.33 0.00 1.96 1.75 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 2.14 2.17 0.00 59 D 9.56 4.37 0.00 2.80 2.80 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 0.00 0.00 0.00 60 G 8.35 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 61 E 8.06 4.57 0.00 1.98 1.75 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 2.17 2.18 0.00 62 V 8.38 3.97 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 0.85 0.00 0.00 0.95 0.00 0.00 63 T 8.14 4.69 4.15 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 1.22 0.00 0.00 64 R 7.48 4.40 0.00 1.79 1.95 0.00 3.05 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 65 R 8.81 4.81 0.00 1.72 1.92 0.00 3.18 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 66 L 8.92 4.46 0.00 1.57 1.72 1.18 1.09 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 67 G 8.25 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 68 T 8.51 4.80 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 69 V 9.02 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.80 0.00 0.00 70 L 8.54 4.86 0.00 1.63 1.58 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.01 4.37 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.35 0.77 0.00 0.00 72 R 8.49 4.54 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.17 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.19 4.38 0.00 2.64 2.74 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 0.00 0.00 0.00 75 N 8.00 4.65 0.00 2.78 2.81 0.00 0.00 6.91 6.98 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 76 I 8.03 4.20 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.88 0.00 0.00 77 V 8.53 4.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 78 Y 7.20 5.03 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 79 I 8.50 5.10 1.87 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 1.21 0.68 0.89 0.00 0.00 80 S 9.15 4.76 0.00 3.88 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 81 R 8.69 4.62 0.00 1.74 1.87 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 82 G 8.18 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.68 4.28 0.00 1.90 1.78 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81