NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 S 4.3074 8.3349 116.7817 58.9082 65.1135 174.3215 34 Q 2.9944 8.2576 114.5983 56.3248 25.9630 171.9793 35 W 4.9867 8.4119 120.2404 55.1383 32.7885 177.1795 36 S 4.5232 8.3894 116.9298 58.1872 64.4971 175.9471 37 V 3.7653 8.4826 117.6124 64.9439 31.2209 178.6697 38 D 4.3945 8.1270 117.9978 57.5338 40.6715 178.2162 39 D 4.2920 8.1290 118.0237 57.1458 41.2731 178.2257 40 V 4.1887 8.0800 118.9617 66.2568 31.5559 178.0469 41 I 3.8689 8.1874 119.6524 64.8092 36.9184 178.3932 42 T 3.9078 8.1935 116.6824 66.4442 68.2196 176.2906 43 W 4.2463 8.7681 130.4403 60.8696 30.8325 177.7722 44 C 4.0358 8.5881 116.6128 62.7859 27.5866 176.2388 45 I 3.9008 7.8835 122.7086 64.1836 36.5496 178.8209 46 S 4.1154 8.0491 114.5388 61.0811 62.6267 175.9356 47 T 3.9971 7.3695 114.7248 63.9738 67.6543 176.1999 48 L 4.1171 8.0989 118.8177 54.2390 42.5401 176.0381 49 E 3.7651 8.0989 118.4349 57.7229 27.8580 173.2982 50 V 4.4669 7.3199 109.5828 59.4683 35.6970 175.1371 51 E 4.4729 8.1704 120.2896 54.6821 31.0337 177.5152 52 E 4.0298 8.5997 118.3891 59.4424 29.7008 177.9582 53 T 4.2212 7.7530 107.2246 61.8397 69.5474 174.7298 54 D 4.4856 7.9726 123.1767 53.5097 43.1588 174.7602 55 P 4.2261 0.0000 0.0000 66.0749 30.8322 178.4979 56 L 4.6341 7.9571 121.1407 57.8831 41.9465 178.8074 57 C 4.1127 7.9225 116.1385 62.6319 28.0276 175.6072 58 Q 3.9358 8.1057 121.1028 59.4928 28.6364 178.8006 59 R 3.8934 8.0687 118.9856 58.9414 29.9746 178.8442 60 L 3.9299 8.0994 120.4370 58.2258 42.1474 179.1251 61 R 3.8974 8.2480 118.8701 59.2935 29.8081 178.0053 62 E 3.9603 8.2190 118.4654 59.2502 29.8002 177.8914 63 N 4.4964 8.4262 113.8153 52.6289 40.0639 174.1384 64 D 4.4210 7.6794 119.3206 55.2307 39.7770 172.9914 65 I 4.4716 8.0428 119.7745 59.7572 39.7424 176.3972 66 V 4.5677 7.9149 116.6155 58.9185 34.9949 176.9349 67 G 3.1887 8.5827 108.0071 47.9766 0.0000 175.5002 68 D 4.0084 7.6370 118.8938 56.9333 41.4893 177.6490 69 L 4.0188 7.8237 120.8891 57.4351 42.0143 178.5359 70 L 3.8886 7.3786 119.3721 57.7192 41.3779 177.8450 71 P 4.1894 0.0000 0.0000 65.5353 31.2650 178.1829 72 E 4.1283 8.1817 117.0312 57.4540 29.6518 177.4231 73 L 4.1041 7.2318 120.0404 55.6213 41.2685 177.4689 74 C 4.5225 9.3748 121.5253 58.2513 30.9655 174.4421 75 L 3.9974 8.3216 121.8771 58.6352 41.5138 178.5674 76 Q 3.9793 8.0289 119.0810 59.2065 29.0460 177.5752 77 D 4.3956 8.1215 119.5443 57.5845 40.7876 178.2497 78 C 4.1700 8.2563 119.2545 62.3045 31.6034 175.3463 79 Q 3.9323 8.4170 121.7641 59.1661 28.6545 177.7747 80 D 4.3194 8.2406 119.1123 57.2551 41.1918 177.9525 81 L 3.9607 8.1088 121.2671 57.6667 41.6462 177.7363 82 C 4.2653 8.3246 112.4388 56.9618 31.0236 172.2820 83 D 4.2952 8.6636 120.2167 55.6322 39.1230 173.8361 84 G 3.7655 8.8819 104.4349 46.3556 0.0000 172.5854 85 D 4.6099 7.4121 119.7273 52.6925 41.5904 176.7916 86 L 3.9743 8.3566 128.4635 57.7260 41.8011 178.7609 87 N 4.2617 8.1580 116.5321 56.5977 38.8066 176.4864 88 K 3.8959 8.9552 120.9168 59.4993 32.2739 178.5490 89 A 4.0514 8.1130 120.9998 55.2734 18.3661 179.6993 90 I 3.7015 8.1910 118.6955 64.5281 37.2419 178.8600 91 K 4.0137 8.1572 119.3063 59.4258 31.8680 179.2047 92 F 4.1748 8.6083 121.1737 61.1113 39.3437 177.0124 93 K 3.9414 8.4382 119.3377 59.6863 32.0415 178.7449 94 I 3.7407 7.8682 119.9813 64.4543 37.0318 178.4140 95 L 4.1252 8.0629 119.7640 57.8555 41.3447 179.6493 96 I 3.5077 7.8790 119.8701 64.2700 36.9400 177.9594 97 N 4.2361 8.2051 117.8929 56.5866 38.7138 177.0678 98 K 3.9908 8.1839 119.9239 59.6414 31.9294 178.8586 99 M 4.0335 8.3019 117.8115 58.5347 32.1010 177.9876 100 R 3.9500 7.7860 117.7505 59.3084 30.5628 177.6074 101 D 4.4214 8.3061 117.0076 56.6203 41.3912 176.0467 102 S 4.4055 8.1125 119.1049 58.5574 63.1016 173.7516 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 33 S 8.33 4.31 0.00 3.58 3.32 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 34 Q 8.26 2.99 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 35 W 8.41 4.99 0.00 3.21 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 36 S 8.39 4.52 0.00 3.91 3.82 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 37 V 8.48 3.77 2.14 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 0.86 0.00 0.00 0.97 0.00 0.00 38 D 8.13 4.39 0.00 2.71 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 39 D 8.13 4.29 0.00 2.73 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 40 V 8.08 4.19 2.46 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 1.13 0.00 0.00 1.29 0.00 0.00 41 I 8.19 3.87 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.74 0.97 0.00 0.00 42 T 8.19 3.91 4.43 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 1.22 0.00 0.00 43 W 8.77 4.25 0.00 3.64 3.82 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 44 C 8.59 4.04 0.00 3.30 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 45 I 7.88 3.90 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 1.78 1.85 1.00 0.00 0.00 46 S 8.05 4.12 0.00 3.87 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 47 T 7.37 4.00 3.37 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 -0.03 0.00 0.00 48 L 8.10 4.12 0.00 1.69 1.68 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.10 3.77 0.00 2.06 1.97 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 2.20 2.24 0.00 50 V 7.32 4.47 2.18 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 0.82 0.00 0.00 0.96 0.00 0.00 51 E 8.17 4.47 0.00 2.01 1.85 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 2.33 2.27 0.00 52 E 8.60 4.03 0.00 2.07 2.11 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 2.29 2.37 0.00 53 T 7.75 4.22 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 54 D 7.97 4.49 0.00 2.89 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 55 P 0.00 4.23 0.00 2.43 2.29 0.00 3.73 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 2.04 2.02 0.00 56 L 7.96 4.63 0.00 1.65 1.61 0.28 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.92 4.11 0.00 3.28 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 58 Q 8.11 3.94 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 59 R 8.07 3.89 0.00 1.95 1.94 0.00 3.33 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 60 L 8.10 3.93 0.00 1.85 1.86 1.06 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 61 R 8.25 3.90 0.00 2.01 1.92 0.00 3.33 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 62 E 8.22 3.96 0.00 2.14 2.11 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 2.32 2.35 0.00 63 N 8.43 4.50 0.00 2.76 2.85 0.00 0.00 7.03 7.95 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 64 D 7.68 4.42 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 65 I 8.04 4.47 1.91 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 1.31 0.65 0.94 0.00 0.00 66 V 7.91 4.57 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 0.77 0.00 0.00 0.94 0.00 0.00 67 G 8.58 3.19 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 0.00 0.00 0.00 0.00 68 D 7.64 4.01 0.00 2.56 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 69 L 7.82 4.02 0.00 1.68 1.81 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.38 3.89 0.00 1.63 1.42 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.19 0.00 1.89 2.00 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 72 E 8.18 4.13 0.00 2.12 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 2.28 2.41 0.00 73 L 7.23 4.10 0.00 1.79 1.70 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 9.37 4.52 0.00 3.03 2.92 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 0.00 0.00 0.00 0.00 75 L 8.32 4.00 0.00 1.78 1.68 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.03 3.98 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 77 D 8.12 4.40 0.00 3.10 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 78 C 8.26 4.17 0.00 3.25 3.19 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 0.00 79 Q 8.42 3.93 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 80 D 8.24 4.32 0.00 2.84 2.83 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 81 L 8.11 3.96 0.00 2.05 1.75 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.32 4.27 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 83 D 8.66 4.30 0.00 2.78 2.69 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 0.00 0.00 0.00 0.00 84 G 8.88 3.77 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 0.00 0.00 0.00 85 D 7.41 4.61 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.36 3.97 0.00 1.70 1.71 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.16 4.26 0.00 2.83 3.04 0.00 0.00 6.82 6.39 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 88 K 8.96 3.90 0.00 2.04 2.00 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.45 7.81 89 A 8.11 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.19 3.70 1.90 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 1.55 1.06 0.94 0.00 0.00 91 K 8.16 4.01 0.00 2.02 1.90 0.00 1.58 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 92 F 8.61 4.17 0.00 3.22 3.26 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 93 K 8.44 3.94 0.00 2.04 2.01 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 94 I 7.87 3.74 2.03 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 1.02 0.93 0.00 0.00 95 L 8.06 4.13 0.00 1.88 1.80 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.88 3.51 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.41 0.74 0.00 0.00 97 N 8.21 4.24 0.00 2.83 2.92 0.00 0.00 7.25 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.18 3.99 0.00 2.14 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.69 7.81 99 M 8.30 4.03 0.00 1.71 2.06 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.07 0.00 100 R 7.79 3.95 0.00 1.67 1.83 0.00 3.20 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 101 D 8.31 4.42 0.00 2.64 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 0.00 102 S 8.11 4.41 0.00 4.06 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