NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 87 K 4.3186 8.1733 120.1343 56.5639 35.1566 177.8804 88 L 3.3345 7.7437 125.7958 55.5543 40.6215 177.7252 89 C 4.2281 9.4923 130.9301 63.5226 28.7506 175.0627 90 S 4.2205 8.1538 114.5667 59.6017 62.7746 173.7987 91 L 4.2892 7.9458 123.3673 53.5941 41.9973 175.5932 92 D 4.2743 9.2966 129.6245 56.2434 39.6620 172.8913 93 N 4.4091 8.2339 109.2544 53.1246 37.9296 173.7202 94 G 4.0766 8.9570 101.1068 45.9999 0.0000 174.4676 95 D 4.4447 8.4081 115.6071 54.5100 40.4189 173.4417 96 C 4.5761 7.8439 114.7435 59.3270 29.0245 173.8008 97 D 4.5565 8.8050 123.7518 57.1490 41.8121 177.3502 98 Q 4.4597 7.1080 112.7769 55.3868 31.0364 179.5105 99 F 4.6445 7.5015 128.0672 59.0513 39.9254 172.3949 100 C 5.2632 8.8675 122.3118 58.1201 34.1467 172.4300 101 H 5.1129 9.8742 122.3817 54.0254 33.2424 172.3374 102 E 5.1632 8.7735 117.9862 55.0313 31.5179 175.7645 103 E 4.4988 8.8334 125.4262 55.3088 31.3277 176.7998 104 Q 3.5148 9.1847 124.2517 57.3844 26.4649 172.9728 105 N 4.1479 8.2616 109.5572 53.8107 37.5331 172.9959 106 S 4.5884 7.3362 110.9472 56.8122 66.2456 173.2298 107 V 4.2471 8.2480 126.2349 63.0980 32.2922 175.4025 108 V 4.4044 9.0768 127.1832 61.5406 34.3986 173.8007 109 C 5.2640 8.8202 125.8049 58.7734 29.6012 172.9007 110 S 4.8728 9.1300 116.3188 57.2389 66.9009 172.0064 111 C 4.4917 8.4923 115.6770 57.6908 32.2114 174.1315 112 A 4.6290 8.4507 123.6441 51.2572 19.0002 177.5025 113 R 3.9552 8.4256 118.5765 58.2387 30.6447 177.7807 114 G 3.8756 9.4356 109.3561 45.1748 0.0000 172.0710 115 Y 5.2799 7.4483 115.8451 56.3305 41.6866 175.0217 116 T 4.7463 8.9956 118.8709 61.3938 72.0797 173.3320 117 L 4.5703 8.5193 127.2422 54.9059 42.7554 176.5734 118 A 4.2524 9.2222 128.3674 51.6028 19.2516 177.9128 119 D 3.9866 8.9844 119.5502 57.7178 40.8508 178.1998 120 N 4.4909 8.2930 113.8041 52.7128 37.5155 175.4029 121 G 4.2374 9.0227 107.7622 46.7396 0.0000 174.5405 122 K 4.4838 8.0011 117.8600 57.4169 36.0224 176.9664 123 A 4.6861 8.6504 121.1642 51.6949 20.2150 176.0472 124 C 5.0924 8.9725 117.9247 58.0698 30.4445 173.6173 125 I 4.5911 9.1227 126.3246 58.7588 38.6151 173.6540 126 P 4.5171 0.0000 0.0000 63.1803 31.3925 176.4156 127 T 4.2234 8.4566 112.3018 62.5245 68.9300 174.2116 128 G 4.2064 7.5575 109.9143 42.3890 0.0000 171.3354 129 P 4.1441 0.0000 0.0000 64.8273 31.7958 176.3048 130 Y 4.7607 6.8730 113.8760 55.3583 37.7461 173.2894 131 P 4.2312 0.0000 0.0000 61.9809 32.6853 176.8980 132 C 4.0633 8.3570 115.5379 59.8307 29.8584 174.3022 133 G 3.9756 8.8810 108.6433 45.7388 0.0000 173.2448 134 K 4.6283 7.4643 118.5343 54.0997 34.0152 176.3746 135 Q 4.0846 8.6075 123.1648 56.1236 29.1854 176.7894 136 T 4.3781 8.3651 112.8362 60.8874 67.8841 173.7374 137 L 4.6380 8.1079 128.2923 52.7785 41.8270 176.8506 138 E 4.2830 8.3382 120.9292 56.1696 29.7500 176.1401 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 87 K 8.17 4.32 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 88 L 7.74 3.33 0.00 2.09 0.74 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 C 9.49 4.23 0.00 3.08 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 90 S 8.15 4.22 0.00 3.96 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 91 L 7.95 4.29 0.00 1.80 1.73 0.92 1.03 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 92 D 9.30 4.27 0.00 2.88 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 93 N 8.23 4.41 0.00 2.96 2.77 0.00 0.00 7.61 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 94 G 8.96 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 95 D 8.41 4.44 0.00 2.79 2.77 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 96 C 7.84 4.58 0.00 3.03 2.81 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 97 D 8.80 4.56 0.00 2.65 2.54 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 98 Q 7.11 4.46 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.91 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 99 F 7.50 4.64 0.00 3.09 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 0.00 100 C 8.87 5.26 0.00 3.04 2.82 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 0.00 101 H 9.87 5.11 0.00 3.03 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.77 5.16 0.00 1.80 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 2.20 2.31 0.00 103 E 8.83 4.50 0.00 2.03 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 2.24 2.27 0.00 104 Q 9.18 3.51 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 105 N 8.26 4.15 0.00 2.81 2.84 0.00 0.00 6.98 7.63 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 0.00 106 S 7.34 4.59 0.00 4.00 3.79 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 0.00 0.00 0.00 107 V 8.25 4.25 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 0.81 0.00 0.00 0.94 0.00 0.00 108 V 9.08 4.40 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 1.01 0.00 0.00 1.01 0.00 0.00 109 C 8.82 5.26 0.00 2.99 2.82 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 0.00 110 S 9.13 4.87 0.00 4.00 3.95 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 0.00 111 C 8.49 4.49 0.00 2.83 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 0.00 112 A 8.45 4.63 1.37 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 0.00 0.00 0.00 113 R 8.43 3.96 0.00 1.87 1.93 0.00 3.30 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 114 G 9.44 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 0.00 115 Y 7.45 5.28 0.00 2.94 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 0.00 116 T 9.00 4.75 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 1.23 0.00 0.00 117 L 8.52 4.57 0.00 1.65 1.58 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.22 4.25 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 0.00 119 D 8.98 3.99 0.00 2.67 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 0.00 120 N 8.29 4.49 0.00 2.94 3.05 0.00 0.00 6.19 7.78 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 0.00 121 G 9.02 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 0.00 0.00 0.00 0.00 122 K 8.00 4.48 0.00 1.83 1.93 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.62 7.81 123 A 8.65 4.69 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 0.00 124 C 8.97 5.09 0.00 2.47 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 0.00 125 I 9.12 4.59 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 1.43 0.99 0.93 0.00 0.00 126 P 0.00 4.52 0.00 1.91 1.92 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 127 T 8.46 4.22 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 1.20 0.00 0.00 128 G 7.56 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 0.00 0.00 0.00 129 P 0.00 4.14 0.00 1.57 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 130 Y 6.87 4.76 0.00 2.93 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 0.00 131 P 0.00 4.23 0.00 1.80 1.75 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.88 0.00 132 C 8.36 4.06 0.00 3.18 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 0.00 133 G 8.88 3.98 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 0.00 0.00 0.00 134 K 7.46 4.63 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.62 7.81 135 Q 8.61 4.08 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.21 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 136 T 8.37 4.38 4.45 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 1.38 0.00 0.00 137 L 8.11 4.64 0.00 1.63 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.34 4.28 0.00 1.98 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 2.25 2.28 0.00