NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 S 4.3793 8.3349 116.7930 58.5873 63.3933 172.8629 79 E 4.2281 7.8771 123.4113 55.4184 31.4867 173.8489 80 D 4.6386 7.9627 119.4079 53.8945 44.3164 175.3097 81 I 4.6347 8.0953 109.3759 61.5804 38.0636 175.3913 82 I 4.6916 7.8571 123.2075 61.3354 39.2891 176.4617 83 V 5.0691 9.0230 119.5711 59.5368 36.1419 174.6412 84 V 4.8287 8.4418 120.5418 59.9190 34.2284 174.7443 85 A 4.1776 8.8453 127.1734 51.6997 19.0746 177.5360 86 L 4.8460 8.0980 122.1776 54.5124 42.2402 176.2742 87 Y 4.9024 7.4970 115.0839 56.5471 42.0516 174.5251 88 D 4.6349 8.7993 121.9811 54.8612 42.0333 175.4888 89 Y 4.5640 8.1953 122.9206 56.2702 42.4730 172.8952 90 E 4.5779 7.7207 127.0001 54.0330 31.5830 175.1126 91 A 4.2278 8.4177 128.5907 52.0802 19.5134 176.5453 92 I 4.1567 7.9197 113.5813 60.6635 39.4059 173.0183 93 H 4.4433 9.3156 117.3123 55.8116 32.5746 172.5666 94 H 4.2726 8.5661 116.6719 58.6092 29.8090 175.5597 95 E 4.2307 8.0990 121.3046 55.4696 29.3715 175.3145 96 D 5.2573 7.5780 120.5744 52.6266 42.0501 175.1980 97 L 4.7693 8.2934 120.1395 54.2934 44.9650 174.4666 98 S 5.0577 9.1362 123.1929 56.8876 64.0775 173.2998 99 F 5.1393 7.5424 121.3289 55.1992 41.1217 173.1344 100 Q 5.3370 8.6928 118.6182 54.2503 32.5412 176.3100 101 K 3.6855 9.6734 121.1358 58.8828 32.3047 176.9722 102 G 4.3321 7.4164 105.9162 45.7617 0.0000 172.6111 103 D 5.0158 8.1077 119.5007 53.1763 43.3554 176.1440 104 Q 5.1233 8.4670 118.0021 54.6336 32.2317 174.7935 105 M 5.1927 9.3540 121.9837 53.8020 37.0850 174.2460 106 V 4.5306 8.4256 121.0977 61.5329 34.0961 174.7317 107 V 4.5387 8.3812 126.4880 61.9604 32.0484 175.7967 108 L 4.4275 9.0698 126.8294 56.1902 42.7899 176.4821 109 E 4.6727 7.6650 115.5910 55.3448 33.4684 173.3754 110 E 4.3944 8.2518 119.7110 54.9476 32.0439 176.3118 111 S 4.5700 7.7940 115.4624 57.8619 65.9519 173.8613 112 G 4.2469 8.9646 112.4155 46.4332 0.0000 175.6496 113 E 3.9061 9.4161 128.7878 56.3473 31.2306 174.5556 114 W 4.8255 8.3035 119.1105 55.1130 29.7171 175.5615 115 W 5.1674 8.4870 124.8130 55.2300 31.4169 175.8009 116 K 4.8712 8.3984 122.1406 55.3959 32.8813 175.1234 117 A 5.1807 9.0719 128.7239 50.2772 23.5920 174.0486 118 R 4.8470 8.9860 119.5436 54.6265 32.5049 174.9805 119 S 4.4897 9.0195 122.7672 58.1531 62.4452 175.0181 120 L 4.0556 8.4402 128.4195 57.5067 41.6884 179.4668 121 A 3.8376 8.1021 120.8150 54.8419 18.7413 177.9846 122 T 4.5855 7.4331 102.6151 60.5262 70.1192 174.3665 123 R 3.7816 7.9238 118.5982 57.4661 28.4066 175.9974 124 K 4.7373 7.3140 116.4235 55.3081 35.1153 174.9308 125 E 5.0016 8.2242 117.2789 56.0694 32.0590 175.6206 126 G 4.3016 8.7338 108.3844 47.5329 0.0000 171.9425 127 Y 5.6338 8.5993 120.4382 57.4726 39.9102 175.9568 128 I 4.7126 8.8384 114.8185 59.5052 41.2183 171.5693 129 P 3.4884 0.0000 0.0000 62.4106 31.5089 177.5383 130 S 3.6409 8.5239 122.7416 60.0729 62.5766 176.3346 131 N 4.2049 7.2628 116.6725 54.4768 37.2206 174.5481 132 Y 4.9381 7.5981 117.7056 57.7130 39.1960 174.4834 133 V 4.7884 7.5259 117.9605 61.3603 35.8980 173.7946 134 A 4.7357 8.4834 123.0513 49.9875 21.9829 175.3440 135 R 4.6074 8.8149 123.1844 56.1533 31.4841 175.6646 136 V 4.5577 9.1302 118.3084 60.0951 37.0919 174.0170 137 D 4.6996 8.4330 118.5110 53.1147 39.6570 176.5530 138 S 4.1041 7.7642 119.8572 59.4965 62.3112 173.5911 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 78 S 8.33 4.38 0.00 3.87 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 79 E 7.88 4.23 0.00 2.02 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 2.30 2.38 0.00 80 D 7.96 4.64 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 4.63 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.81 0.00 0.00 82 I 7.86 4.69 2.06 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 1.21 0.91 0.91 0.00 0.00 83 V 9.02 5.07 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 0.89 0.00 0.00 1.00 0.00 0.00 84 V 8.44 4.83 2.05 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 0.75 0.00 0.00 0.92 0.00 0.00 85 A 8.85 4.18 1.12 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 0.00 0.00 86 L 8.10 4.85 0.00 1.43 0.81 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.50 4.90 0.00 2.81 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 88 D 8.80 4.63 0.00 2.70 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 89 Y 8.20 4.56 0.00 2.76 1.43 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 0.00 90 E 7.72 4.58 0.00 1.77 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 2.08 2.20 0.00 91 A 8.42 4.23 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 92 I 7.92 4.16 1.84 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 1.44 0.59 1.06 0.00 0.00 93 H 9.32 4.44 0.00 3.15 3.39 0.00 5.90 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.57 4.27 0.00 3.31 3.32 0.00 5.69 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 95 E 8.10 4.23 0.00 2.03 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 2.19 2.08 0.00 96 D 7.58 5.26 0.00 3.19 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 97 L 8.29 4.77 0.00 1.80 1.99 1.01 1.04 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 98 S 9.14 5.06 0.00 3.76 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 99 F 7.54 5.14 0.00 3.17 3.31 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 0.00 100 Q 8.69 5.34 0.00 2.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 101 K 9.67 3.69 0.00 1.91 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 102 G 7.42 4.33 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 0.00 103 D 8.11 5.02 0.00 2.98 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 0.00 104 Q 8.47 5.12 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 105 M 9.35 5.19 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 106 V 8.43 4.53 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 0.87 0.00 0.00 0.94 0.00 0.00 107 V 8.38 4.54 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 0.79 0.00 0.00 0.96 0.00 0.00 108 L 9.07 4.43 0.00 1.79 1.70 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.67 4.67 0.00 2.02 1.79 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 2.30 2.33 0.00 110 E 8.25 4.39 0.00 1.77 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 111 S 7.79 4.57 0.00 3.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.96 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 0.00 113 E 9.42 3.91 0.00 1.71 1.49 0.00 0.00 0.00 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 2.15 0.00 114 W 8.30 4.83 0.00 3.19 3.24 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 0.00 115 W 8.49 5.17 0.00 3.34 3.02 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 0.00 116 K 8.40 4.87 0.00 2.09 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.36 7.81 117 A 9.07 5.18 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 0.00 118 R 8.99 4.85 0.00 1.85 1.80 0.00 3.10 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 119 S 9.02 4.49 0.00 4.04 3.80 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 0.00 120 L 8.44 4.06 0.00 1.66 1.71 0.97 0.67 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 0.00 121 A 8.10 3.84 1.32 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 0.00 0.00 122 T 7.43 4.59 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 0.00 123 R 7.92 3.78 0.00 1.98 2.04 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 124 K 7.31 4.74 0.00 1.84 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 125 E 8.22 5.00 0.00 1.98 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 2.16 2.24 0.00 126 G 8.73 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 0.00 0.00 0.00 0.00 127 Y 8.60 5.63 0.00 3.24 3.25 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 0.00 128 I 8.84 4.71 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 1.31 0.00 0.00 129 P 0.00 3.49 0.00 1.66 1.11 0.00 3.18 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.11 0.00 130 S 8.52 3.64 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.26 4.20 0.00 2.24 2.73 0.00 0.00 5.41 7.16 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 0.00 132 Y 7.60 4.94 0.00 3.01 3.08 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 0.00 133 V 7.53 4.79 1.81 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 0.63 0.00 0.00 0.66 0.00 0.00 134 A 8.48 4.74 1.20 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 0.00 0.00 135 R 8.81 4.61 0.00 2.08 1.91 0.00 3.39 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 136 V 9.13 4.56 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 0.81 0.00 0.00 1.01 0.00 0.00 137 D 8.43 4.70 0.00 2.76 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 0.00 138 S 7.76 4.10 0.00 3.79 3.69 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