NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2740 8.1133 117.2708 56.3221 30.1910 176.6904 11 T 3.2886 8.3153 111.2839 64.9562 68.4609 174.4289 12 G 3.7621 7.4415 108.4629 47.3839 0.0000 175.1129 13 R 4.1228 7.6423 116.2837 58.1877 30.0322 177.7209 14 F 5.0342 8.3957 118.5944 58.8347 39.4617 176.6682 15 G 3.8434 8.0699 107.5474 46.2604 0.0000 172.5519 16 P 4.6731 0.0000 0.0000 62.8266 31.6544 176.2043 17 R 4.0988 7.2965 117.2009 56.5802 31.4587 174.9953 18 Y 4.1816 7.9041 117.6024 57.1398 36.5459 169.6910 19 G 3.8816 7.9207 103.5748 44.3393 0.0000 173.4932 20 L 4.0701 8.1071 117.7684 57.5440 41.5409 179.6614 21 K 3.9135 7.9882 117.3914 59.8579 31.6766 179.0406 22 I 3.6754 7.8380 119.4971 64.6471 37.2117 178.3250 23 R 4.6162 7.7559 116.5948 57.9381 29.7260 178.7323 24 V 3.6908 8.0264 119.7042 65.8149 31.5367 177.8413 25 R 4.1065 7.9713 117.0059 58.2372 29.9741 179.0034 26 V 3.5978 7.4326 117.4333 65.5829 31.5828 177.9231 27 A 3.9598 7.9517 120.3775 55.2198 18.3302 179.0873 28 D 4.2877 7.9467 117.2237 57.6936 40.8952 179.2901 29 V 3.5635 7.6669 118.2896 66.2398 31.5137 177.8542 30 E 4.1864 8.3749 117.6725 58.6403 29.1273 179.0122 31 I 3.7720 7.9573 119.0628 63.8706 38.2637 177.6977 32 K 4.1894 8.1156 119.3751 59.5384 31.6753 178.6281 33 H 5.3056 8.2413 119.1358 58.7020 29.8968 176.5471 34 K 4.4538 8.0124 116.5106 55.4354 32.4298 177.2501 35 K 4.1746 7.0233 119.1773 55.7071 32.6232 177.0559 36 K 4.0712 8.3887 121.2719 56.9246 32.6199 176.2066 37 H 5.0299 8.1878 120.5999 53.8360 31.8652 173.6850 38 K 4.6600 8.5663 122.0766 55.5311 32.4311 176.4611 39 C 4.2965 9.3882 127.6280 59.1174 31.7572 172.1367 40 P 4.3366 0.0000 0.0000 65.7506 30.5767 177.7977 41 V 3.3287 6.7773 116.9421 65.1155 32.0320 178.3834 42 C 4.4856 7.5892 123.6629 58.7176 33.7051 173.2184 43 G 4.0845 8.5119 106.1195 45.3710 0.0000 173.7643 44 F 3.8410 8.1856 119.4956 56.8754 40.0401 175.7095 45 K 5.2220 7.7565 122.7779 55.1287 30.2323 176.8681 46 K 4.8077 7.7401 114.3278 56.2158 32.8735 177.3873 47 L 5.3698 8.2206 119.9226 53.3970 43.8504 176.2710 48 K 5.0924 9.0706 122.6611 54.1891 36.5213 175.8923 49 R 3.3257 8.6799 123.1061 56.1334 30.3964 176.3029 50 A 4.2645 8.3952 128.3805 52.6164 20.2182 177.2462 51 G 3.6996 6.6969 101.3485 46.3426 0.0000 171.9235 52 T 3.6391 8.3972 118.8397 64.9094 67.7800 174.3605 53 G 4.4362 8.4957 114.4513 46.3594 0.0000 170.9208 54 I 4.8334 6.9525 120.7198 59.1269 39.4290 174.8533 55 W 5.4060 9.1926 125.9573 55.2326 33.4340 174.0055 56 M 5.0884 9.1768 121.4978 54.3478 36.1511 172.9316 57 C 5.7993 8.5404 124.1874 56.7867 33.0985 175.1049 58 G 3.3611 9.0919 115.7135 48.7295 0.0000 173.9220 59 H 4.2685 8.2292 119.5205 58.4639 30.1181 175.4847 60 C 4.3457 8.0430 112.1313 57.4388 30.5154 174.6364 61 G 3.9086 8.9206 109.6179 45.1906 0.0000 172.9728 62 Y 4.3060 7.9676 121.6017 58.2155 39.7398 174.6621 63 K 4.9108 8.3805 128.2118 54.6599 33.7491 175.0338 64 I 4.4791 9.3340 121.4333 58.8836 41.2779 174.0214 65 A 4.9397 8.5074 124.9385 51.0625 20.0351 176.7610 66 G 4.2009 8.4066 110.0762 44.9757 0.0000 171.7488 67 G 4.0786 8.2335 109.8060 45.5688 0.0000 173.9538 68 C 4.2443 8.4870 115.6506 61.7287 28.4776 174.3706 69 Y 5.0963 7.8740 113.4326 57.4808 39.5439 174.6455 70 Q 4.7059 8.0460 118.7590 53.3415 33.0591 174.1004 71 P 2.9700 0.0000 0.0000 64.1524 31.6027 176.1112 72 E 4.7220 7.5276 116.9826 54.2701 32.5556 174.9915 73 T 4.6618 7.9812 111.8152 59.3272 71.2871 175.0878 74 V 3.5501 8.4724 121.6505 66.5136 31.0508 178.2272 75 A 4.2110 8.0256 119.9420 54.7973 18.1903 179.6481 76 G 3.6679 7.8332 103.5720 47.5869 0.0000 175.8080 77 K 4.1461 7.9153 120.5789 59.1778 31.6851 179.0948 78 A 3.9879 7.6932 119.9467 55.0221 17.9191 179.9485 79 V 3.5319 7.2166 114.8254 66.3911 31.7123 176.9726 80 M 4.1194 7.4118 116.9808 58.4504 31.5769 177.7074 81 K 3.7367 7.7122 115.4298 57.7998 32.5073 176.7861 82 A 4.1696 7.1243 128.5022 52.8817 18.0978 177.7297 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 10 R 8.11 4.27 0.00 1.98 2.02 0.00 2.93 0.00 0.00 3.33 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 T 8.32 3.29 4.27 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 0.00 0.00 0.00 1.31 0.00 0.00 12 G 7.44 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 0.00 0.00 0.00 13 R 7.64 4.12 0.00 1.91 1.97 0.00 2.90 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.00 14 F 8.40 5.03 0.00 3.35 3.22 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 15 G 8.07 3.84 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 0.00 0.00 0.00 16 P 0.00 4.67 0.00 2.14 2.11 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 17 R 7.30 4.10 0.00 0.67 0.66 0.00 2.86 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.00 18 Y 7.90 4.18 0.00 3.01 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 19 G 7.92 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 0.00 0.00 0.00 20 L 8.11 4.07 0.00 1.72 1.69 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 3.91 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 I 7.84 3.68 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.07 0.81 0.00 0.00 23 R 7.76 4.62 0.00 2.52 2.57 0.00 3.23 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.60 0.00 24 V 8.03 3.69 2.19 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 1.04 0.00 0.00 1.00 0.00 0.00 25 R 7.97 4.11 0.00 2.15 1.92 0.00 3.16 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 26 V 7.43 3.60 2.41 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 1.08 0.00 0.00 1.13 0.00 0.00 27 A 7.95 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.95 4.29 0.00 2.86 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 29 V 7.67 3.56 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.82 0.00 0.00 30 E 8.37 4.19 0.00 2.14 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 0.00 2.34 2.51 0.00 31 I 7.96 3.77 1.98 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 1.54 0.76 1.01 0.00 0.00 32 K 8.12 4.19 0.00 2.22 1.94 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.24 5.31 0.00 3.53 3.59 0.00 5.78 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 34 K 8.01 4.45 0.00 1.83 1.85 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 35 K 7.02 4.17 0.00 1.82 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.69 7.81 36 K 8.39 4.07 0.00 1.70 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.19 5.03 0.00 3.33 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.57 4.66 0.00 1.63 1.75 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 39 C 9.39 4.30 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.34 0.00 2.30 2.17 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 41 V 6.78 3.33 1.65 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 0.57 0.00 0.00 -0.49 0.00 0.00 42 C 7.59 4.49 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 43 G 8.51 4.08 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 0.00 0.00 0.00 44 F 8.19 3.84 0.00 3.01 3.01 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 0.00 0.00 0.00 45 K 7.76 5.22 0.00 1.57 1.75 0.00 1.63 0.00 0.00 2.30 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.12 7.81 46 K 7.74 4.81 0.00 1.83 1.87 0.00 1.93 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.79 7.81 47 L 8.22 5.37 0.00 1.75 1.78 1.02 1.04 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 48 K 9.07 5.09 0.00 1.73 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.68 3.33 0.00 0.98 1.39 0.00 2.98 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 50 A 8.40 4.26 1.15 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 0.00 0.00 0.00 51 G 6.70 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 52 T 8.40 3.64 4.14 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 1.08 0.00 0.00 53 G 8.50 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 0.00 0.00 0.00 0.00 54 I 6.95 4.83 1.66 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 1.15 0.98 0.81 0.00 0.00 55 W 9.19 5.41 0.00 3.20 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 56 M 9.18 5.09 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 57 C 8.54 5.80 0.00 3.17 2.91 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 58 G 9.09 3.36 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 0.00 59 H 8.23 4.27 0.00 3.10 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.04 4.35 0.00 3.03 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 61 G 8.92 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 62 Y 7.97 4.31 0.00 3.04 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 63 K 8.38 4.91 0.00 1.71 1.54 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.35 7.81 64 I 9.33 4.48 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.19 0.84 0.00 0.00 65 A 8.51 4.94 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 66 G 8.41 4.20 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 0.00 67 G 8.23 4.08 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 0.00 0.00 0.00 68 C 8.49 4.24 0.00 2.53 1.44 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 0.00 69 Y 7.87 5.10 0.00 3.13 2.88 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 70 Q 8.05 4.71 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 71 P 0.00 2.97 0.00 1.66 1.05 0.00 2.90 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 72 E 7.53 4.72 0.00 1.81 1.77 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 2.09 2.09 0.00 73 T 7.98 4.66 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 1.22 0.00 0.00 74 V 8.47 3.55 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 1.04 0.00 0.00 0.93 0.00 0.00 75 A 8.03 4.21 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 76 G 7.83 3.67 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 0.00 0.00 0.00 77 K 7.92 4.15 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.62 7.81 78 A 7.69 3.99 1.35 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 0.00 0.00 79 V 7.22 3.53 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.41 4.12 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 81 K 7.71 3.74 0.00 1.87 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 7.12 4.17 1.30 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