NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6651 8.3249 119.4846 57.3863 40.3875 173.8105 2 E 4.5571 8.3956 121.1879 53.4046 32.6180 174.3278 3 N 4.5564 9.5266 121.6306 53.8910 39.7540 174.3881 4 R 4.6481 8.4285 124.1367 55.9283 31.2779 178.1611 5 V 3.6222 8.3136 121.0025 66.0833 31.3263 177.7306 6 A 4.3176 7.9832 121.3322 54.6536 18.1811 179.3434 7 E 3.9069 8.1115 116.3593 59.6187 29.7001 179.6104 8 K 4.1426 7.9461 118.4765 59.4818 31.6381 179.5236 9 Q 4.1243 8.6554 118.9863 58.7485 28.1484 178.6217 10 K 3.9779 8.0648 120.6927 59.4184 32.0513 178.6005 11 L 3.8067 7.6699 119.2911 58.0442 42.1135 178.3839 12 F 4.4616 8.0214 114.7751 58.6376 39.2453 176.6383 13 Q 4.6272 7.5898 116.1398 54.2637 29.5172 175.1639 14 E 3.8938 7.2577 121.4812 56.4820 29.9348 177.4211 15 D 4.6636 8.5486 127.3589 53.7333 39.0162 174.8275 16 N 4.7417 8.0924 115.6172 51.3172 38.2699 176.2837 17 G 3.9064 8.1090 105.4912 46.3289 0.0000 173.6766 18 L 4.3189 7.9386 119.7482 52.7654 42.6580 175.3172 19 P 4.4528 0.0000 0.0000 62.2408 32.2224 177.4989 20 V 3.7296 8.6483 120.3185 65.3683 30.9855 177.3326 21 H 4.6760 8.1871 112.7765 56.4692 28.7413 175.2582 22 L 4.7543 8.2855 118.9263 54.0710 43.4985 177.7562 23 K 4.1565 7.8541 118.3680 57.9450 32.2334 177.7289 24 G 3.6801 9.0976 107.4647 47.3660 0.0000 174.2457 25 G 3.8269 7.3324 105.9094 43.9443 0.0000 173.4173 26 A 4.0229 8.3891 120.8703 55.1810 18.0662 180.1513 27 T 3.8645 7.8777 114.3382 66.8511 68.5086 176.0853 28 D 4.4448 7.8697 120.8402 57.5673 40.7954 178.6833 29 N 4.4267 8.1934 116.1780 56.4755 38.5442 177.2222 30 I 3.7038 7.6475 120.5025 64.4536 37.2035 178.1747 31 L 3.9461 8.2642 121.3706 58.2865 41.8276 178.3623 32 Y 4.1485 8.3687 119.5462 61.0215 38.8380 178.4574 33 R 3.6526 8.2537 118.9806 58.7997 29.9735 179.4124 34 V 3.4665 7.9043 118.4431 66.2564 31.5295 177.9040 35 T 3.8060 8.0364 115.7872 67.1510 68.2937 176.1144 36 M 3.8839 8.0934 120.0672 58.9000 32.0875 178.4970 37 T 3.8180 7.7240 115.8391 66.5662 68.5990 176.7789 38 L 4.0073 8.0726 121.0653 57.8376 41.6126 179.3607 39 C 4.1197 8.3313 116.9032 62.9154 28.1600 176.2398 40 L 4.1087 8.2731 120.9156 57.7043 41.1654 179.9078 41 G 3.6981 8.5831 106.2683 47.8475 0.0000 176.0221 42 G 3.8056 8.5446 108.8955 47.7279 0.0000 176.0037 43 T 4.2316 7.9579 119.3026 65.9175 68.4984 176.7904 44 L 4.0498 8.0852 120.9435 58.0381 41.6166 178.8434 45 Y 4.5027 8.5142 120.0370 60.9904 38.7034 178.4291 46 S 3.8815 8.2987 115.1545 61.3863 62.9707 176.4854 47 L 4.0201 8.0342 122.5815 57.6068 41.2623 178.8069 48 Y 4.2353 8.2035 119.4856 61.0888 38.7795 177.9139 49 C 3.7819 8.1647 117.7904 62.5378 28.1380 175.9294 50 L 4.0564 8.1999 122.2780 57.9872 41.4630 179.2115 51 G 3.7227 7.9368 104.6725 47.5316 0.0000 175.1341 52 W 4.1980 8.3120 130.9916 60.2149 30.5806 177.9581 53 A 4.1871 8.5073 119.0138 54.6598 17.8590 179.3756 54 S 3.9784 7.9635 113.3776 59.7924 63.1739 174.4861 55 F 4.7155 6.9333 119.1637 54.5904 40.7790 173.7784 56 P 4.4027 0.0000 0.0000 63.0890 31.9331 176.0325 57 H 4.5634 8.2383 117.4583 57.4897 29.5965 174.5171 58 K 4.3110 8.0529 124.0799 57.0022 32.0274 174.6918 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 F 8.32 4.67 0.00 2.92 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 2 E 8.40 4.56 0.00 2.00 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 2.37 0.00 3 N 9.53 4.56 0.00 2.71 2.78 0.00 0.00 6.85 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 4 R 8.43 4.65 0.00 1.88 1.89 0.00 3.43 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.53 0.00 5 V 8.31 3.62 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 1.06 0.00 0.00 0.99 0.00 0.00 6 A 7.98 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.91 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 8 K 7.95 4.14 0.00 2.00 2.10 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.75 7.81 9 Q 8.66 4.12 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 10 K 8.06 3.98 0.00 1.85 2.00 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 L 7.67 3.81 0.00 1.49 1.68 0.64 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.02 4.46 0.00 3.23 3.09 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 0.00 0.00 0.00 0.00 13 Q 7.59 4.63 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 14 E 7.26 3.89 0.00 2.11 1.90 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 2.29 2.23 0.00 15 D 8.55 4.66 0.00 2.68 2.58 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 0.00 0.00 0.00 16 N 8.09 4.74 0.00 2.80 2.84 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.11 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 18 L 7.94 4.32 0.00 1.81 1.58 0.94 1.01 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 19 P 0.00 4.45 0.00 2.23 2.17 0.00 3.65 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 1.83 1.83 0.00 20 V 8.65 3.73 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 0.84 0.00 0.00 0.88 0.00 0.00 21 H 8.19 4.68 0.00 3.28 3.42 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.29 4.75 0.00 1.49 1.56 0.68 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.85 4.16 0.00 2.02 2.14 0.00 2.06 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.38 7.81 24 G 9.10 3.68 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 0.00 0.00 0.00 25 G 7.33 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 26 A 8.39 4.02 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.88 3.86 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 1.25 0.00 0.00 28 D 7.87 4.44 0.00 2.82 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 29 N 8.19 4.43 0.00 3.03 2.94 0.00 0.00 7.11 7.28 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 30 I 7.65 3.70 2.06 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 1.43 0.93 0.93 0.00 0.00 31 L 8.26 3.95 0.00 1.90 1.75 0.94 1.01 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 32 Y 8.37 4.15 0.00 3.18 3.30 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 33 R 8.25 3.65 0.00 2.08 1.91 0.00 3.27 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 34 V 7.90 3.47 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 1.09 0.00 0.00 0.95 0.00 0.00 35 T 8.04 3.81 4.34 0.00 0.00 0.00 0.00 0.00 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 36 M 8.09 3.88 0.00 1.64 1.48 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 2.48 2.46 0.00 37 T 7.72 3.82 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 1.17 0.00 0.00 38 L 8.07 4.01 0.00 1.81 1.71 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.33 4.12 0.00 3.08 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 40 L 8.27 4.11 0.00 1.69 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.58 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 42 G 8.54 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 43 T 7.96 4.23 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.09 4.05 0.00 1.95 1.79 0.94 0.65 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 45 Y 8.51 4.50 0.00 3.04 3.20 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 0.00 0.00 0.00 46 S 8.30 3.88 0.00 4.04 4.05 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 0.00 0.00 0.00 0.00 47 L 8.03 4.02 0.00 2.03 1.83 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.20 4.24 0.00 3.18 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 49 C 8.16 3.78 0.00 2.93 2.78 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 50 L 8.20 4.06 0.00 1.74 1.87 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.94 3.72 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 0.00 0.00 0.00 52 W 8.31 4.20 0.00 2.95 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 53 A 8.51 4.19 1.46 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 0.00 0.00 54 S 7.96 3.98 0.00 3.92 3.38 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 55 F 6.93 4.72 0.00 2.77 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 56 P 0.00 4.40 0.00 2.12 1.98 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 57 H 8.24 4.56 0.00 2.99 3.27 0.00 5.98 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.05 4.31 0.00 1.80 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.34 7.81