NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7014 8.3049 120.3313 55.6537 34.4676 174.5148 2 K 4.2466 7.4829 122.2987 54.6394 34.1895 178.0469 3 E 3.7453 10.2781 130.6396 57.2933 28.6349 174.6904 4 G 4.7357 8.2740 124.2085 46.4310 0.0000 173.4159 5 I 4.5389 7.2017 112.0847 59.8615 37.4798 173.7905 6 H 4.9664 7.9867 118.8964 54.7360 31.2816 173.1895 7 P 4.3015 0.0000 0.0000 66.4103 31.2948 176.3125 8 K 3.9418 9.3860 120.4921 56.6605 29.0718 172.3966 9 L 4.4122 7.9366 130.6374 55.2480 39.6306 172.9417 10 V 4.7589 7.6598 124.1315 59.5578 35.2192 172.5439 11 P 4.8422 0.0000 0.0000 63.2867 32.1113 174.9793 12 A 4.8808 9.0440 123.9448 50.4396 23.8918 174.4521 13 R 4.9163 8.4700 113.9825 54.6381 32.7731 174.7937 14 I 4.4609 8.9921 122.8313 60.1852 39.7475 175.0600 15 I 4.8801 9.1120 128.7188 59.2907 37.1194 175.7432 16 C 4.6603 8.4364 126.3413 59.2349 32.2166 173.0533 17 G 4.3737 8.8112 106.2448 45.4326 0.0000 173.8142 18 C 4.7001 7.7867 115.1245 57.7556 30.2941 175.2370 19 G 4.1713 7.9165 115.2903 48.3094 0.0000 174.1304 20 N 3.7849 7.1164 117.9374 51.2033 39.0848 172.8533 21 V 5.2458 8.1759 125.8524 60.5199 33.3713 174.6956 22 I 4.2739 8.2543 129.1626 60.4799 39.0385 174.4864 23 E 4.8269 8.5032 126.3682 54.4501 31.4872 174.4368 24 T 4.0465 8.1727 119.3212 61.6038 74.7482 172.0443 25 Y 5.3157 8.7461 119.4986 55.9170 43.4266 175.1678 26 S 4.5921 8.7256 123.8517 58.5657 64.8201 177.9849 27 T 3.9874 8.8973 113.8426 63.1149 69.9003 170.4735 28 K 3.8870 8.4521 132.4498 55.9851 30.1251 174.8394 29 P 4.1967 0.0000 0.0000 64.3652 31.5179 175.6888 30 E 4.3078 7.6400 119.3543 54.7056 29.2346 174.3465 31 I 4.1051 8.0593 125.9362 59.2072 40.5326 174.1536 32 Y 4.9553 7.3362 125.9984 55.1473 38.0154 176.6980 33 V 4.0069 8.1389 128.8727 63.3610 33.6554 173.8607 34 E 4.4934 8.7764 114.2280 57.8899 32.1160 176.2652 35 V 4.5694 7.5039 115.7191 62.1784 34.9667 171.6513 36 C 4.9787 8.3821 124.1005 58.0326 30.2542 173.9820 37 S 4.3476 8.4099 115.6014 59.2731 63.1244 173.2994 38 K 4.3975 9.2945 123.0503 56.9056 31.1002 176.5385 39 C 4.9533 8.2819 115.3177 54.8996 31.4439 171.1769 40 H 4.4448 7.8531 126.2179 54.6384 31.4756 173.5403 41 P 3.9716 0.0000 0.0000 62.0530 32.2146 174.3363 42 F 4.7123 7.9188 112.9989 57.4746 39.7703 171.2128 43 Y 3.6880 9.1844 118.6050 53.6454 42.5817 175.5526 44 T 3.4445 7.3867 107.5994 60.0237 71.4123 172.5883 45 G 4.3121 8.1066 112.1080 44.4271 0.0000 171.1176 46 Q 4.5939 8.4749 119.0558 54.7704 32.7490 175.1222 47 Q 4.7237 9.6526 124.6484 56.0123 30.1067 174.2374 48 R 4.7685 9.2483 124.2812 56.5952 31.8502 174.2290 49 F 3.8726 8.5950 116.9090 56.9665 37.4670 174.0715 50 V 3.2023 7.6095 119.8909 62.3572 31.5404 178.2512 51 D 4.7371 8.2828 123.6292 54.7666 40.3457 175.1347 52 T 4.2545 7.8252 111.1060 59.2219 67.2629 172.8759 53 E 4.6559 7.5863 128.5665 56.6985 32.6908 174.7037 54 G 4.2008 10.2199 108.4706 44.9049 0.0000 173.7852 55 R 4.6473 8.0153 112.9615 54.8202 28.9746 175.3813 56 V 4.2907 7.2491 112.5683 62.6921 32.4492 174.7256 57 E 4.3782 7.9259 124.3946 56.4672 29.3220 175.0068 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 1 M 8.30 4.70 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 7.48 4.25 0.00 1.79 0.81 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.47 7.81 3 E 10.28 3.75 0.00 2.12 1.75 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 2.27 2.33 0.00 4 G 8.27 4.74 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 0.00 0.00 0.00 5 I 7.20 4.54 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.92 0.00 0.00 6 H 7.99 4.97 0.00 3.11 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.30 0.00 2.05 2.11 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 9.39 3.94 0.00 1.79 2.14 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.24 7.81 9 L 7.94 4.41 0.00 1.84 1.76 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.66 4.76 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 0.96 0.00 0.00 11 P 0.00 4.84 0.00 1.96 2.02 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 12 A 9.04 4.88 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 13 R 8.47 4.92 0.00 1.80 1.94 0.00 2.87 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 14 I 8.99 4.46 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.93 0.00 0.00 15 I 9.11 4.88 2.11 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 1.22 1.54 0.98 0.00 0.00 16 C 8.44 4.66 0.00 2.93 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 17 G 8.81 4.37 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 0.00 18 C 7.79 4.70 0.00 3.07 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 19 G 7.92 4.17 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 0.00 0.00 0.00 20 N 7.12 3.78 0.00 2.79 2.72 0.00 0.00 6.53 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.18 5.25 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 1.03 0.00 0.00 1.05 0.00 0.00 22 I 8.25 4.27 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 1.24 0.50 0.91 0.00 0.00 23 E 8.50 4.83 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 24 T 8.17 4.05 4.38 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 1.23 0.00 0.00 25 Y 8.75 5.32 0.00 2.75 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 26 S 8.73 4.59 0.00 4.02 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 27 T 8.90 3.99 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 1.21 0.00 0.00 28 K 8.45 3.89 0.00 1.96 2.00 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.51 7.81 29 P 0.00 4.20 0.00 2.19 2.06 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 30 E 7.64 4.31 0.00 1.96 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 0.00 2.31 2.37 0.00 31 I 8.06 4.11 1.94 0.00 0.00 0.72 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 0.54 0.86 0.00 0.00 32 Y 7.34 4.96 0.00 2.87 2.99 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 33 V 8.14 4.01 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 0.81 0.00 0.00 0.93 0.00 0.00 34 E 8.78 4.49 0.00 2.08 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 2.28 2.31 0.00 35 V 7.50 4.57 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 0.74 0.00 0.00 0.91 0.00 0.00 36 C 8.38 4.98 0.00 3.10 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 37 S 8.41 4.35 0.00 3.91 3.87 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 38 K 9.29 4.40 0.00 1.78 2.23 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.41 7.81 39 C 8.28 4.95 0.00 3.00 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 40 H 7.85 4.44 0.00 3.28 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 3.97 0.00 1.93 1.81 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 42 F 7.92 4.71 0.00 3.26 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 43 Y 9.18 3.69 0.00 3.18 3.06 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 44 T 7.39 3.44 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 1.30 0.00 0.00 45 G 8.11 4.31 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 0.00 0.00 0.00 46 Q 8.47 4.59 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 47 Q 9.65 4.72 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 48 R 9.25 4.77 0.00 1.96 2.06 0.00 3.29 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 49 F 8.60 3.87 0.00 3.04 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.61 3.20 2.06 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 1.08 0.00 0.00 0.77 0.00 0.00 51 D 8.28 4.74 0.00 3.05 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 52 T 7.83 4.25 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 1.23 0.00 0.00 53 E 7.59 4.66 0.00 1.90 1.82 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 2.16 2.21 0.00 54 G 10.22 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 0.00 0.00 0.00 0.00 55 R 8.02 4.65 0.00 1.86 1.92 0.00 3.06 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.01 0.00 56 V 7.25 4.29 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 0.84 0.00 0.00 0.95 0.00 0.00 57 E 7.93 4.38 0.00 1.89 1.73 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 2.14 2.30 0.00