NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 108 W 4.8950 8.2749 120.5696 56.4118 30.4876 174.7887 109 K 4.3252 8.2449 120.6966 54.5175 33.3693 174.5851 110 E 4.3030 9.4301 122.1870 59.8796 30.2359 178.3394 111 A 4.3864 8.1484 121.4840 54.7607 18.2812 178.9714 112 H 3.9562 8.0928 116.5090 59.4945 29.9501 177.5150 113 F 4.4328 8.0835 119.0614 60.7718 38.6785 177.5155 114 Q 4.1817 9.1328 117.9945 59.1842 28.5647 178.6039 115 D 4.4574 8.5166 119.9235 57.3905 40.8851 178.7278 116 A 4.1011 8.3864 121.6171 55.1847 18.3116 179.5057 117 F 3.6605 8.7093 119.2901 61.2233 39.3735 177.7151 118 S 3.9679 8.1565 114.9722 61.5293 62.6271 176.5163 119 S 4.0102 8.1261 115.8460 61.2179 62.0877 175.9447 120 F 4.2041 8.2425 123.2740 61.4942 39.1564 177.0726 121 Q 3.6292 8.1810 117.7414 58.7183 27.9383 178.8461 122 A 3.8065 7.9589 121.7613 55.3300 18.2469 179.3545 123 M 3.7384 7.9875 115.7154 58.1909 32.6503 177.1066 124 Y 4.4386 7.4643 113.9387 56.2081 38.6178 175.4659 125 A 3.9872 7.2466 120.5167 52.8864 16.7408 178.1521 126 K 4.0945 7.6641 119.9687 56.2749 33.0608 177.2729 127 S 4.4544 7.8117 117.1803 56.3558 66.1820 172.7781 128 Y 4.7961 8.0296 117.2280 56.2000 41.0769 176.0038 129 A 4.2423 8.9403 127.3423 54.2856 19.1961 177.8166 130 T 4.8035 7.5939 105.4156 59.1711 73.3437 174.4962 131 E 4.0295 8.7244 122.2995 59.3190 29.7306 179.0546 132 E 3.9536 8.1424 118.4729 59.2667 29.5787 178.6339 133 E 3.9168 8.6290 119.7358 59.1220 29.7158 178.6936 134 K 3.3587 8.0600 119.8718 59.3926 32.2701 178.6859 135 Q 4.0317 8.1956 117.9837 59.2338 28.4646 178.4990 136 R 3.7978 7.9818 120.6153 59.3507 30.0814 178.8340 137 R 3.9624 8.2278 118.2297 59.0884 29.8898 178.4244 138 Y 2.9056 8.1281 119.7297 60.1961 38.7210 177.9688 139 A 3.5769 7.7394 121.6493 55.0324 18.3718 179.7037 140 I 3.5415 7.6608 118.2756 64.3055 37.1597 178.2500 141 F 4.3839 8.1863 123.0901 60.6403 39.0816 177.2187 142 K 3.5690 7.9972 118.1814 59.4475 31.7605 178.9940 143 N 4.1845 7.8472 116.4865 56.4420 38.3623 177.2724 144 N 4.3097 8.2307 118.0635 56.0491 38.5605 177.2147 145 L 3.8555 7.9327 122.1920 58.1495 42.0736 179.2479 146 V 3.7276 8.1247 118.3878 66.1015 31.3957 177.2072 147 Y 4.0682 8.1714 119.2775 60.8067 38.6025 178.2915 148 I 3.6411 8.1628 120.7514 64.6345 37.0625 177.7518 149 H 4.2088 8.2147 117.5341 59.7597 30.0211 176.9875 150 T 3.8270 8.1175 117.6351 66.7822 68.2644 175.9313 151 H 4.2865 8.0101 121.5511 58.8236 29.6745 176.7269 152 N 4.5387 8.0934 115.4782 55.0217 38.4751 176.3118 153 Q 4.2211 7.5605 118.3508 56.3860 29.1872 176.0500 154 Q 3.9871 7.8541 119.0775 55.1018 29.2184 176.1429 155 G 3.4052 7.6606 105.5216 46.6680 0.0000 173.7201 156 Y 4.3587 7.2954 116.2522 57.0170 38.6241 176.5376 157 S 4.3906 8.6695 116.7578 60.6814 63.1987 174.1745 158 Y 4.9302 7.1822 116.8719 54.9345 40.8189 174.4872 159 S 4.8698 8.5872 115.0588 56.7703 65.5440 173.0271 160 L 4.9635 8.7111 120.6775 53.0804 44.2792 176.2687 161 K 4.6459 8.2223 120.0279 54.7940 35.2207 175.5338 162 M 4.2208 8.6338 125.0492 56.4788 32.9734 175.1648 163 N 5.2892 8.4521 119.0135 53.1884 39.4962 174.1486 164 H 3.3158 7.8925 112.4944 57.2095 28.7919 175.4927 165 F 4.7904 8.3814 119.9118 57.4897 38.9929 177.7581 166 G 3.7519 8.4928 112.9988 47.9865 0.0000 174.9833 167 D 5.1566 8.3933 117.3944 52.8107 39.8141 175.5923 168 L 4.9570 7.6714 119.2380 53.3997 44.0815 177.2919 169 S 4.4668 8.6629 117.9644 57.3503 65.4509 175.4760 170 R 3.9067 8.3754 121.4205 59.8437 29.6864 178.0543 171 D 4.3777 8.0746 117.9660 57.5084 40.3679 178.5578 172 E 4.0733 8.0806 119.0231 59.2392 29.4706 179.0179 173 F 4.2896 8.5384 120.9981 61.5042 39.2221 177.1935 174 R 3.6772 8.0974 117.0051 59.5258 29.9720 178.4532 175 R 4.1062 7.9860 116.7907 58.2427 30.1419 177.5299 176 K 4.3951 7.8237 113.8353 55.7879 34.1684 176.3300 177 Y 4.6056 7.9045 114.4611 57.3696 40.0854 175.3635 178 L 4.2412 8.0633 119.3136 53.9570 41.7312 176.3884 179 G 3.6266 9.3297 114.5233 45.8606 0.0000 173.1848 180 F 4.3637 8.0502 123.1918 56.6281 40.0337 174.8027 181 K 4.1595 7.4747 128.2236 54.3061 33.9682 175.5282 182 K 3.8091 8.3292 126.4332 56.4889 32.1459 176.2419 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 108 W 8.27 4.89 0.00 2.91 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 0.00 109 K 8.24 4.33 0.00 1.93 1.82 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.48 7.81 110 E 9.43 4.30 0.00 2.24 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 0.00 2.53 2.66 0.00 111 A 8.15 4.39 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 0.00 112 H 8.09 3.96 0.00 2.98 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.08 4.43 0.00 3.52 3.17 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 0.00 0.00 0.00 0.00 114 Q 9.13 4.18 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.77 0.00 115 D 8.52 4.46 0.00 2.78 2.70 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 0.00 116 A 8.39 4.10 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 0.00 0.00 0.00 0.00 0.00 117 F 8.71 3.66 0.00 3.28 3.23 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 0.00 118 S 8.16 3.97 0.00 4.04 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 0.00 119 S 8.13 4.01 0.00 3.91 4.06 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 0.00 0.00 0.00 0.00 120 F 8.24 4.20 0.00 3.25 2.86 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 0.00 121 Q 8.18 3.63 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.04 1.69 0.00 122 A 7.96 3.81 1.24 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 0.00 0.00 123 M 7.99 3.74 0.00 1.31 1.86 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.41 0.00 124 Y 7.46 4.44 0.00 2.51 2.65 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 0.00 0.00 0.00 0.00 125 A 7.25 3.99 1.25 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 0.00 126 K 7.66 4.09 0.00 1.50 1.47 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 0.89 7.81 127 S 7.81 4.45 0.00 3.78 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 0.00 128 Y 8.03 4.80 0.00 3.04 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 0.00 129 A 8.94 4.24 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 0.00 130 T 7.59 4.80 4.49 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 0.00 0.00 1.25 0.00 0.00 131 E 8.72 4.03 0.00 2.13 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 2.39 2.48 0.00 132 E 8.14 3.95 0.00 2.11 1.99 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 2.41 2.44 0.00 133 E 8.63 3.92 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 134 K 8.06 3.36 0.00 1.98 1.96 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.56 1.69 7.81 135 Q 8.20 4.03 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 136 R 7.98 3.80 0.00 1.90 2.10 0.00 3.10 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 137 R 8.23 3.96 0.00 1.46 1.99 0.00 3.85 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.38 0.00 138 Y 8.13 2.91 0.00 2.27 2.84 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 0.00 139 A 7.74 3.58 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.66 3.54 1.86 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 1.36 0.77 0.88 0.00 0.00 141 F 8.19 4.38 0.00 3.04 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 0.00 142 K 8.00 3.57 0.00 1.41 1.04 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.94 0.65 7.81 143 N 7.85 4.18 0.00 2.76 2.76 0.00 0.00 7.09 6.20 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 0.00 144 N 8.23 4.31 0.00 2.65 2.76 0.00 0.00 6.69 7.45 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 0.00 145 L 7.93 3.86 0.00 1.13 1.75 0.92 0.89 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 0.00 146 V 8.12 3.73 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 1.04 0.00 0.00 1.14 0.00 0.00 147 Y 8.17 4.07 0.00 3.17 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 0.00 148 I 8.16 3.64 2.10 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 1.52 0.77 0.99 0.00 0.00 149 H 8.21 4.21 0.00 3.45 3.63 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.12 3.83 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 1.12 0.00 0.00 151 H 8.01 4.29 0.00 2.93 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.09 4.54 0.00 2.74 2.86 0.00 0.00 7.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.56 4.22 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 154 Q 7.85 3.99 0.00 1.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.98 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 155 G 7.66 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.30 4.36 0.00 2.69 2.33 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 0.00 157 S 8.67 4.39 0.00 4.09 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 0.00 158 Y 7.18 4.93 0.00 3.10 2.95 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 0.00 159 S 8.59 4.87 0.00 4.02 3.92 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 0.00 160 L 8.71 4.96 0.00 1.65 1.66 0.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.22 4.65 0.00 1.73 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 162 M 8.63 4.22 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.04 0.00 163 N 8.45 5.29 0.00 2.77 2.92 0.00 0.00 6.50 7.90 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 0.00 164 H 7.89 3.32 0.00 2.72 2.64 0.00 5.53 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.38 4.79 0.00 3.01 2.64 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 0.00 166 G 8.49 3.75 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 0.00 0.00 0.00 167 D 8.39 5.16 0.00 3.07 3.12 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 0.00 168 L 7.67 4.96 0.00 1.68 1.63 0.51 1.03 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 0.00 169 S 8.66 4.47 0.00 4.05 3.99 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 0.00 170 R 8.38 3.91 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 171 D 8.07 4.38 0.00 2.75 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 0.00 172 E 8.08 4.07 0.00 2.20 2.17 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 0.00 2.42 2.38 0.00 173 F 8.54 4.29 0.00 2.96 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 0.00 174 R 8.10 3.68 0.00 1.87 2.17 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 R 7.99 4.11 0.00 1.94 1.98 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 176 K 7.82 4.40 0.00 1.53 1.30 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.52 7.81 177 Y 7.90 4.61 0.00 2.63 2.87 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 0.00 0.00 0.00 178 L 8.06 4.24 0.00 1.41 0.92 0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 179 G 9.33 3.63 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 0.00 0.00 0.00 180 F 8.05 4.36 0.00 2.99 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 0.00 181 K 7.47 4.16 0.00 1.53 1.43 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.30 7.81 182 K 8.33 3.81 0.00 1.80 1.66 0.00 1.98 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.48 7.81