NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0137 8.0093 120.7991 62.9559 39.2424 176.3794 4 K 3.4335 8.3034 113.8303 57.1743 32.3874 169.1377 5 V 4.3452 8.9168 123.8282 61.6374 35.0384 173.8191 6 R 4.2274 8.3944 124.4551 56.1729 32.3192 175.5766 7 E 3.7501 8.1517 123.7958 56.8070 27.4587 176.1852 8 N 4.6220 8.3685 128.9908 51.1139 38.8617 174.2215 9 E 3.5640 8.5506 115.7582 55.6545 28.7129 170.7954 10 P 4.5730 0.0000 0.0000 60.1072 33.4490 174.0959 11 F 4.9372 7.0373 120.8238 56.9242 39.1394 172.7322 12 D 5.0030 8.2973 119.1755 53.2427 41.0761 177.4410 13 V 3.9967 7.8545 118.9262 60.4209 32.1800 176.2682 14 A 3.8676 8.9607 128.7753 55.0137 18.4857 178.3489 15 L 3.3235 7.5853 109.7092 57.2021 39.9286 174.8595 16 R 4.7174 7.9425 127.1401 55.0310 30.7219 176.7152 17 R 4.0554 8.0987 118.7171 59.5224 30.8076 179.6370 18 F 4.5044 8.3917 116.2314 60.3212 38.7354 177.7454 19 K 4.0716 8.1087 117.9927 59.5424 31.7175 179.1772 20 R 4.1836 7.4763 113.1218 56.7634 29.7891 176.9686 21 S 4.8021 7.5868 111.6334 58.0767 64.9915 172.9929 22 C 4.6248 7.5934 120.1162 59.4773 35.3497 176.4794 23 E 3.9026 9.6718 128.9264 58.5288 27.8209 179.3972 24 K 3.6267 9.4147 132.8039 57.4943 32.6155 174.0106 25 A 3.8156 8.9828 116.0089 55.9355 17.7906 179.8536 26 G 3.7247 7.0668 97.9309 47.8783 0.0000 174.3342 27 V 4.1084 7.4812 119.5396 62.2049 32.1251 176.5689 28 L 4.4054 7.1634 117.3242 57.2386 43.1082 177.7164 29 A 3.9533 8.5489 120.6571 56.0873 18.2978 178.6176 30 E 3.6654 7.5952 113.0818 60.3189 29.8587 179.5410 31 V 3.2691 8.3799 118.6637 61.3858 31.2539 181.2763 32 R 3.3134 7.6628 117.6127 55.9088 32.7399 175.0553 33 R 4.4909 7.3935 118.3892 55.1782 33.0165 173.1481 34 R 3.6235 8.4222 127.8139 55.9472 31.0919 175.5240 35 E 4.3671 7.7585 118.9753 56.8729 30.3627 175.3862 36 F 4.7671 8.7281 120.2810 54.6804 41.3541 174.0488 37 Y 4.2270 9.0462 128.0418 58.2371 39.0788 169.3918 38 E 5.9063 7.6131 118.2029 55.2050 33.5225 177.4659 39 K 4.2258 7.5338 121.8813 56.4783 33.1056 175.3621 40 P 4.5592 0.0000 0.0000 64.2793 31.9275 178.0891 41 T 3.8888 7.6830 116.4955 66.9704 68.4043 176.4504 42 T 3.8510 7.7098 109.8856 65.5110 69.1700 174.8790 43 E 3.6358 8.1105 120.9448 59.8080 28.8883 178.2276 44 R 4.0975 8.2314 120.4853 58.8455 30.5105 178.0784 45 K 4.1908 7.7703 117.0641 57.7547 32.3320 177.6912 46 R 4.3061 8.4831 117.2905 57.5479 30.3287 177.3703 47 A 4.1246 7.4976 119.6078 53.0406 18.4237 179.1584 48 K 3.9382 7.8009 118.5646 59.2899 32.3858 178.3774 49 A 4.0920 7.3478 120.3247 54.8309 18.5447 179.1985 50 S 4.2941 7.8988 114.4412 60.9338 62.9182 177.2007 51 A 4.5154 7.7499 123.3196 52.4721 17.6532 178.5650 52 V 4.0795 7.9519 119.9207 63.2548 32.4929 175.9621 53 K 4.1108 7.8762 126.6124 56.7956 32.0630 176.1052 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 3 I 8.01 4.01 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 1.23 0.00 0.00 4 K 8.30 3.43 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 V 8.92 4.35 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.39 4.23 0.00 1.81 1.87 0.00 3.41 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 7 E 8.15 3.75 0.00 2.25 2.38 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 2.28 2.30 0.00 8 N 8.37 4.62 0.00 2.65 2.57 0.00 0.00 7.33 7.65 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 9 E 8.55 3.56 0.00 1.92 1.95 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 2.32 2.36 0.00 10 P 0.00 4.57 0.00 2.06 1.89 0.00 3.90 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 1.86 1.86 0.00 11 F 7.04 4.94 0.00 3.17 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 12 D 8.30 5.00 0.00 2.64 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 13 V 7.85 4.00 1.98 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 0.40 0.00 0.00 0.83 0.00 0.00 14 A 8.96 3.87 1.31 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 15 L 7.59 3.32 0.00 1.77 1.80 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.94 4.72 0.00 1.87 1.85 0.00 3.32 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 17 R 8.10 4.06 0.00 2.00 2.08 0.00 3.23 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 18 F 8.39 4.50 0.00 2.98 3.08 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 19 K 8.11 4.07 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.65 7.81 20 R 7.48 4.18 0.00 1.89 1.97 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 21 S 7.59 4.80 0.00 3.89 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 22 C 7.59 4.62 0.00 2.93 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 0.00 0.00 0.00 23 E 9.67 3.90 0.00 2.00 1.49 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 2.38 2.28 0.00 24 K 9.41 3.63 0.00 1.97 1.76 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 A 8.98 3.82 1.31 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 26 G 7.07 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.48 4.11 2.05 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 0.80 0.00 0.00 0.90 0.00 0.00 28 L 7.16 4.41 0.00 1.67 1.65 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.55 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.60 3.67 0.00 1.88 1.88 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 2.28 2.47 0.00 31 V 8.38 3.27 2.02 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 0.86 0.00 0.00 0.92 0.00 0.00 32 R 7.66 3.31 0.00 2.04 1.72 0.00 3.39 0.00 0.00 3.13 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 33 R 7.39 4.49 0.00 1.77 1.75 0.00 3.49 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 34 R 8.42 3.62 0.00 1.99 1.93 0.00 3.39 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 35 E 7.76 4.37 0.00 2.01 1.95 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 2.46 2.64 0.00 36 F 8.73 4.77 0.00 3.06 2.93 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 0.00 0.00 0.00 37 Y 9.05 4.23 0.00 3.27 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 38 E 7.61 5.91 0.00 1.95 1.86 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 2.15 2.10 0.00 39 K 7.53 4.23 0.00 1.60 1.61 0.00 1.39 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.37 1.09 7.81 40 P 0.00 4.56 0.00 2.49 2.89 0.00 3.78 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 2.16 2.29 0.00 41 T 7.68 3.89 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 1.25 0.00 0.00 42 T 7.71 3.85 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 1.18 0.00 0.00 43 E 8.11 3.64 0.00 2.31 1.86 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 2.38 2.40 0.00 44 R 8.23 4.10 0.00 2.03 2.06 0.00 3.20 0.00 0.00 3.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 45 K 7.77 4.19 0.00 2.07 1.79 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 R 8.48 4.31 0.00 2.02 1.94 0.00 3.33 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 47 A 7.50 4.12 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 48 K 7.80 3.94 0.00 1.84 2.07 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 A 7.35 4.09 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 50 S 7.90 4.29 0.00 4.02 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 51 A 7.75 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.08 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 0.76 0.00 0.00 0.93 0.00 0.00 53 K 7.88 4.11 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81