NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1127 8.2549 117.2567 54.8707 31.0168 175.2621 2 P 4.0163 0.0000 0.0000 61.9629 32.0753 175.8234 3 D 4.3697 8.4698 121.4602 57.4184 41.7794 178.7309 4 F 4.4440 7.9088 114.1807 59.5023 37.5883 177.7126 5 C 4.6762 7.5777 116.4075 59.1224 40.0542 174.6620 6 L 4.3205 7.6650 118.7740 54.2703 41.9400 176.7553 7 E 4.3088 7.4058 119.1258 55.0213 30.2220 175.0114 8 P 4.4804 0.0000 0.0000 61.4674 32.2746 174.4415 9 P 3.7766 0.0000 0.0000 62.5774 31.5460 175.1414 10 Y 4.6187 7.9930 121.3968 56.1357 40.5782 175.4249 11 T 4.1651 8.2860 124.9801 64.6188 68.9754 175.9014 12 G 3.9074 7.0795 105.9352 44.0602 0.0000 171.0463 13 P 4.3806 0.0000 0.0000 63.8338 32.1740 177.1097 14 C 4.6977 7.7102 117.0075 56.1536 41.5007 173.4043 15 K 4.3416 8.1115 118.9303 56.0984 32.4465 176.5550 16 A 4.2291 7.8338 121.2412 51.8022 20.2013 178.0822 17 R 4.6307 8.1993 117.0754 54.0774 30.7666 173.3813 18 I 4.3159 8.3367 121.6210 59.1816 39.4964 174.8281 19 I 4.3220 8.3207 129.1161 61.1689 37.7252 175.6646 20 R 4.9297 8.4939 125.6200 54.6032 34.5040 173.7663 21 Y 5.5772 9.5311 117.2297 56.6078 41.0008 175.4590 22 F 5.7407 9.4291 117.0478 55.2486 42.0783 172.9466 23 Y 4.4222 10.0303 121.8542 56.9671 40.1027 174.1038 24 N 4.8038 8.1968 126.2127 51.5106 38.1919 174.8656 25 A 3.8638 8.2806 128.9845 54.7343 18.8684 179.0600 26 K 4.0571 7.8132 114.7131 59.1198 32.1867 178.1777 27 A 4.0981 7.8303 119.8686 52.2756 19.1915 178.1712 28 G 3.9520 9.3900 103.7352 44.9704 0.0000 172.5182 29 L 4.5874 6.7417 118.5393 54.8930 43.9621 174.5162 30 C 5.0469 8.5936 116.3934 56.0083 40.8440 173.3757 31 Q 4.8668 8.3580 120.4069 54.2217 32.9254 174.7014 32 T 4.8418 8.3860 110.9712 61.3699 70.6130 173.5674 33 F 5.0162 9.1844 117.1858 55.8672 42.1326 173.1957 34 V 4.3223 8.3036 119.7543 61.6971 32.1920 174.4250 35 Y 4.4600 8.5954 131.0161 57.0183 39.8248 176.1915 36 G 3.8151 8.2954 113.0511 46.1987 0.0000 175.0858 37 G 3.6627 7.0503 108.5364 44.8260 0.0000 171.9303 38 C 4.9626 6.7682 111.8315 54.6489 44.5976 173.1758 39 R 3.8489 8.8684 116.3368 56.9565 27.0726 176.8204 40 A 4.2928 8.4163 118.9093 52.6765 18.8909 177.8336 41 K 4.4292 8.1341 118.8721 54.4587 34.4620 177.2810 42 R 3.6195 8.0571 118.3923 58.9787 30.2168 177.5247 43 N 4.9019 7.7792 117.9177 51.4686 36.7612 173.6166 44 N 4.9364 6.7781 115.5966 52.9480 41.1065 173.1211 45 F 5.1102 9.6917 125.5267 55.6077 42.7607 176.6663 46 K 4.5056 9.1004 119.3965 57.7058 32.7825 177.5199 47 S 4.4387 7.6512 112.9461 55.6987 67.1198 174.6859 48 A 3.4576 7.0841 124.2178 54.9585 18.0344 180.0478 49 E 3.8826 7.7597 116.9375 59.5713 29.6398 179.0402 50 D 4.2950 8.1813 119.1358 57.2368 40.8058 177.9461 51 C 2.4500 7.7822 119.0091 59.4343 44.4330 175.6624 52 M 3.8310 8.2335 120.6353 58.1142 31.2714 178.6889 53 R 3.7801 7.7304 118.2830 59.5798 30.2686 178.3886 54 T 4.1061 7.5885 114.5387 65.7882 68.7582 175.4897 55 C 4.5462 8.1244 116.2846 56.4000 41.2401 175.5323 56 G 3.1437 7.7709 109.1126 45.8354 0.0000 175.0027 57 G 3.8466 7.2137 104.6605 44.7409 0.0000 173.6900 58 A 4.0999 8.1936 120.1629 52.3428 18.3572 177.6451 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 R 8.25 4.11 0.00 1.61 1.77 0.00 2.97 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 2 P 0.00 4.02 0.00 0.63 1.55 0.00 3.36 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 3 D 8.47 4.37 0.00 2.70 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 4 F 7.91 4.44 0.00 3.34 3.30 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 5 C 7.58 4.68 0.00 2.94 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.67 4.32 0.00 1.76 1.76 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.41 4.31 0.00 2.08 1.91 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 2.40 2.43 0.00 8 P 0.00 4.48 0.00 2.09 2.00 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.78 0.00 0.97 0.49 0.00 3.31 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 10 Y 7.99 4.62 0.00 2.81 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 11 T 8.29 4.17 4.13 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 1.22 0.00 0.00 12 G 7.08 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 13 P 0.00 4.38 0.00 2.18 2.18 0.00 3.99 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 14 C 7.71 4.70 0.00 2.84 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 15 K 8.11 4.34 0.00 1.64 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 A 7.83 4.23 1.17 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 17 R 8.20 4.63 0.00 1.60 1.78 0.00 3.15 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.34 4.32 2.01 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 1.20 0.54 1.00 0.00 0.00 19 I 8.32 4.32 1.84 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 1.31 0.71 0.78 0.00 0.00 20 R 8.49 4.93 0.00 1.08 2.01 0.00 3.47 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 21 Y 9.53 5.58 0.00 3.13 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 22 F 9.43 5.74 0.00 3.13 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 23 Y 10.03 4.42 0.00 2.94 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 24 N 8.20 4.80 0.00 2.31 2.48 0.00 0.00 6.68 9.13 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 25 A 8.28 3.86 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 26 K 7.81 4.06 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.83 4.10 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 28 G 9.39 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 0.00 0.00 0.00 29 L 6.74 4.59 0.00 1.70 1.73 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.59 5.05 0.00 2.91 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.36 4.87 0.00 1.44 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 32 T 8.39 4.84 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 0.42 0.00 0.00 33 F 9.18 5.02 0.00 3.08 3.11 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 0.00 0.00 0.00 0.00 34 V 8.30 4.32 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.60 4.46 0.00 2.43 2.69 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 36 G 8.30 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 0.00 0.00 0.00 37 G 7.05 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.77 4.96 0.00 3.06 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 39 R 8.87 3.85 0.00 2.25 2.23 0.00 3.44 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 A 8.42 4.29 1.06 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 0.00 0.00 41 K 8.13 4.43 0.00 1.69 1.80 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.05 0.76 7.81 42 R 8.06 3.62 0.00 1.20 0.66 0.00 2.89 0.00 0.00 2.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.00 43 N 7.78 4.90 0.00 3.27 2.88 0.00 0.00 6.94 9.11 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 44 N 6.78 4.94 0.00 2.74 2.58 0.00 0.00 7.09 7.02 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 45 F 9.69 5.11 0.00 3.16 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 46 K 9.10 4.51 0.00 1.83 1.94 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 47 S 7.65 4.44 0.00 3.98 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 48 A 7.08 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 3.88 0.00 1.98 1.93 0.00 0.00 0.00 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 2.37 0.00 50 D 8.18 4.29 0.00 2.95 2.85 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 51 C 7.78 2.45 0.00 2.79 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 52 M 8.23 3.83 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 53 R 7.73 3.78 0.00 1.87 2.08 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 54 T 7.59 4.11 4.09 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 1.51 0.00 0.00 55 C 8.12 4.55 0.00 2.51 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 0.00 0.00 0.00 56 G 7.77 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 0.00 0.00 0.00 57 G 7.21 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 0.00 0.00 0.00 58 A 8.19 4.10 1.21 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