NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6622 8.2076 120.5528 54.0939 41.5431 176.3172 2 Y 4.2605 8.1480 119.0417 57.7453 38.5442 175.3583 3 L 4.2181 7.9044 121.3653 56.1975 42.9394 179.9879 4 R 3.8644 7.6612 117.7683 59.1748 30.1305 178.4364 5 E 3.9296 7.6312 119.5344 59.2208 29.5102 178.5633 6 L 3.9683 7.3837 120.1911 58.0656 42.0876 178.6997 7 L 4.0310 8.0157 120.3092 57.6646 42.1300 178.8931 8 K 3.9473 8.0615 118.7361 59.5154 31.9944 179.1758 9 L 4.0927 7.8595 118.6555 57.3749 41.5445 179.0391 10 E 3.9692 8.0063 119.5542 59.1178 29.4098 178.6683 11 L 3.9966 7.9869 120.5004 58.0311 42.1658 178.8421 12 Q 3.9914 7.9604 117.7606 59.0043 28.6850 178.6823 13 L 3.9199 8.0270 121.4907 57.8681 41.9978 178.9384 14 I 4.0401 7.7583 112.8862 63.4541 37.6513 178.2069 15 K 3.9254 7.8020 121.7118 59.5502 32.0390 178.8819 16 Q 4.0073 8.0743 118.3675 59.1967 28.5682 177.9456 17 Y 4.1188 7.8644 117.7869 60.9932 37.7073 178.5165 18 R 3.9795 8.2340 118.8095 59.9405 30.6241 178.3755 19 E 4.0458 8.9106 117.9391 60.0850 29.5985 179.2019 20 A 3.8762 8.6129 119.4409 55.5313 18.6901 179.2835 21 L 3.9655 8.5641 116.5980 58.1064 41.6245 180.0608 22 E 4.0048 8.5150 118.2118 60.0313 29.4385 177.0838 23 Y 4.4696 8.0235 119.6238 59.9135 39.5355 176.8858 24 V 3.0259 7.3687 121.5197 65.3036 32.2376 173.6887 25 K 3.7620 7.4602 130.1279 55.7758 30.6019 174.6372 26 L 4.7503 7.7841 124.5774 51.9415 43.8610 176.1563 27 P 4.1789 0.0000 0.0000 65.3882 31.7004 178.3750 28 V 3.9869 7.6544 116.5670 63.2993 32.3984 177.8796 29 L 3.8180 8.0235 122.0770 57.6186 41.6861 178.0703 30 A 4.2041 7.7942 118.7077 52.9549 18.8941 178.9675 31 K 3.8376 7.1632 116.0099 59.0904 32.2815 178.8101 32 I 3.4103 7.6042 120.2304 64.1057 36.9260 177.8151 33 L 3.8444 7.0314 121.0470 58.3578 41.5841 178.5121 34 E 3.7935 7.4362 116.5015 59.7786 29.7630 178.6875 35 D 4.3177 7.8474 118.2299 57.8439 40.6251 178.9749 36 E 3.7170 8.7341 119.4016 59.7276 29.5565 179.5305 37 E 3.9212 7.9360 118.5719 58.6586 29.4007 179.3951 38 K 3.4804 7.5215 119.1913 59.9519 32.5124 178.8553 39 H 3.8569 7.3152 117.2120 58.5158 28.6142 177.6072 40 I 3.6864 7.2980 114.2969 63.9787 37.4384 178.1899 41 E 4.0223 7.9210 119.9297 58.8161 29.2364 179.1840 42 W 4.5691 8.2441 119.4392 59.4152 29.2484 178.7436 43 L 4.0721 8.7017 119.6141 57.6444 40.8094 179.0500 44 E 3.9297 8.0614 118.4476 59.6600 29.8740 178.6819 45 T 4.0524 8.0509 115.7548 66.5667 68.2509 176.6085 46 I 3.7055 7.6269 120.6903 64.4442 37.3753 178.1543 47 L 4.1771 8.3630 116.6053 55.0108 41.4071 177.5294 48 G 4.2090 7.8403 113.8241 45.9932 0.0000 173.6656 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 D 8.21 4.66 0.00 2.78 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 2 Y 8.15 4.26 0.00 3.34 3.13 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 0.00 3 L 7.90 4.22 0.00 1.43 1.46 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.66 3.86 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 5 E 7.63 3.93 0.00 2.36 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 2.33 2.48 0.00 6 L 7.38 3.97 0.00 1.95 1.71 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.02 4.03 0.00 1.78 1.80 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.06 3.95 0.00 2.02 1.84 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.69 7.81 9 L 7.86 4.09 0.00 1.70 1.71 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.01 3.97 0.00 2.26 2.07 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 2.32 2.35 0.00 11 L 7.99 4.00 0.00 2.03 1.63 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.96 3.99 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 13 L 8.03 3.92 0.00 1.88 1.96 0.67 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.76 4.04 1.90 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 0.80 0.98 0.00 0.00 15 K 7.80 3.93 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 Q 8.07 4.01 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 17 Y 7.86 4.12 0.00 3.21 2.90 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 0.00 0.00 0.00 18 R 8.23 3.98 0.00 2.02 2.06 0.00 3.36 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 19 E 8.91 4.05 0.00 2.20 2.00 0.00 0.00 0.00 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 2.35 0.00 20 A 8.61 3.88 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 0.00 0.00 21 L 8.56 3.97 0.00 1.95 1.80 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.52 4.00 0.00 2.08 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 0.00 2.37 2.48 0.00 23 Y 8.02 4.47 0.00 2.85 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 24 V 7.37 3.03 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 0.65 0.00 0.00 0.23 0.00 0.00 25 K 7.46 3.76 0.00 2.00 1.87 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.53 7.81 26 L 7.78 4.75 0.00 1.68 1.48 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.18 0.00 2.15 2.12 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 28 V 7.65 3.99 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 0.70 0.00 0.00 0.89 0.00 0.00 29 L 8.02 3.82 0.00 1.91 1.73 1.04 1.02 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 A 7.79 4.20 1.27 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 0.00 0.00 0.00 31 K 7.16 3.84 0.00 2.00 1.78 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 32 I 7.60 3.41 0.76 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 1.19 0.76 0.44 0.00 0.00 33 L 7.03 3.84 0.00 1.64 1.56 0.93 0.98 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 34 E 7.44 3.79 0.00 2.01 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 2.29 2.48 0.00 35 D 7.85 4.32 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 3.72 0.00 2.17 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 0.00 2.49 2.57 0.00 37 E 7.94 3.92 0.00 2.05 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 2.25 2.41 0.00 38 K 7.52 3.48 0.00 0.79 1.65 0.00 1.22 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.08 0.69 7.81 39 H 7.32 3.86 0.00 3.16 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.30 3.69 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.91 0.00 0.00 41 E 7.92 4.02 0.00 2.17 2.07 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 2.34 2.33 0.00 42 W 8.24 4.57 0.00 3.54 3.10 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 0.00 0.00 0.00 0.00 43 L 8.70 4.07 0.00 1.66 1.70 0.94 0.99 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 44 E 8.06 3.93 0.00 2.09 2.21 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 2.34 2.42 0.00 45 T 8.05 4.05 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 1.23 0.00 0.00 46 I 7.63 3.71 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.58 0.92 0.00 0.00 47 L 8.36 4.18 0.00 1.56 1.72 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.84 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