NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2661 8.2493 123.5819 51.5629 20.3420 176.5833 2 V 3.8248 7.5520 117.2790 59.7401 32.5960 172.5866 3 Q 4.7992 8.2677 117.6782 54.7417 32.1274 173.8609 4 Q 4.3505 8.3925 116.8625 56.1286 31.5325 172.7974 5 N 3.9491 7.7356 114.0936 51.9416 37.0257 173.8075 6 K 4.5193 8.4025 122.7942 53.9021 35.0380 175.0281 7 P 4.5204 0.0000 0.0000 61.0628 30.0860 175.6063 8 T 3.9180 8.4760 117.0428 65.1429 67.4993 174.7169 9 R 3.9820 7.8911 118.3302 56.6406 30.3377 179.0609 10 S 3.2885 8.1637 109.3312 59.8353 64.3454 172.2470 11 K 4.1263 7.7460 122.9773 57.6397 33.3720 176.8999 12 R 4.3330 8.9590 126.6693 57.6221 29.4711 178.4494 13 G 3.7197 7.6095 101.3850 47.0830 0.0000 174.7470 14 M 4.2873 7.8954 120.4976 57.7768 32.5231 178.2690 15 R 3.9600 7.7826 118.2468 59.0849 30.2289 178.1780 16 R 4.7840 8.1596 119.9810 58.4680 30.0440 178.3883 17 S 4.1823 7.8963 115.4345 62.0455 62.6647 175.7546 18 H 4.5376 7.7964 114.4063 56.3311 28.2341 175.6886 19 D 4.7890 8.2108 119.6736 53.9255 42.2541 176.4831 20 A 4.3127 7.3206 121.0435 52.1806 18.8507 177.1145 21 L 4.5168 8.0616 120.2480 53.6944 43.6328 175.7025 22 T 4.6602 8.0742 108.1228 60.0388 71.7010 172.6571 23 A 4.6762 8.2746 124.1247 50.5280 21.0557 177.2801 24 V 4.1026 7.8149 115.2123 60.9420 33.7441 175.4442 25 T 4.0075 7.8840 104.8719 61.9274 69.6047 171.9502 26 S 4.5073 8.3562 119.9571 56.7921 65.6958 172.4294 27 L 4.4672 8.1279 122.5188 53.8987 43.0302 176.3416 28 S 5.0524 8.7034 111.5383 57.0573 64.5706 175.5349 29 V 3.5878 7.6762 115.4577 61.0194 30.8721 170.8954 30 D 4.4340 8.4809 119.7688 56.8899 38.7334 178.2781 31 K 3.9951 7.5182 119.2967 58.8120 32.7623 177.5482 32 T 4.0904 7.5417 116.9884 63.7179 68.5005 175.0638 33 S 4.6866 8.6993 123.0968 58.2278 63.8606 174.7142 34 G 4.2416 8.4779 111.3430 45.2993 0.0000 175.9679 35 E 3.2400 9.4788 114.3666 57.7923 29.9186 178.8282 36 K 4.4112 9.6439 119.8165 55.8120 34.1266 176.1496 37 H 3.6975 8.1567 115.0036 57.1642 27.5308 175.0148 38 L 4.5254 8.4000 128.1527 55.5437 43.5366 175.6371 39 R 3.5644 7.8800 123.8256 57.1328 29.2634 174.5724 40 H 4.9719 7.7592 114.4678 54.3237 32.5266 174.2059 41 H 4.0202 8.0195 120.6725 56.8583 30.2994 174.6821 42 I 4.2847 6.3254 116.4615 60.9345 40.0615 173.9740 43 T 4.1050 9.1876 121.2973 64.0259 67.9981 176.9525 44 A 4.1091 8.0581 123.6754 54.8921 18.3243 177.6553 45 D 4.7868 8.0433 111.7980 52.6281 43.6249 174.9839 46 G 4.6054 7.8846 106.4284 45.9268 0.0000 173.0628 47 Y 4.8552 7.0074 114.2704 55.6714 41.5598 175.3430 48 Y 3.5701 8.5778 122.9420 59.2186 39.5444 175.7166 49 R 4.8339 7.6958 114.8384 56.9130 36.1133 174.8543 50 G 3.9210 7.8140 106.2027 45.6619 0.0000 173.9867 51 R 4.0210 8.7907 121.5259 56.5869 29.1500 175.0316 52 K 4.5435 8.0931 122.1105 55.8047 36.2585 176.1071 53 V 3.0773 8.1967 126.2867 64.1497 31.4177 174.5198 54 I 4.5067 8.3935 109.2869 58.7015 39.1258 174.4757 55 A 4.3067 7.9678 127.8629 51.4582 21.1130 175.8319 56 K 4.1209 8.4499 114.2856 57.1447 32.1341 176.9533 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 A 8.25 4.27 1.30 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 0.00 0.00 2 V 7.55 3.82 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 0.93 0.00 0.00 3 Q 8.27 4.80 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 4 Q 8.39 4.35 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 5 N 7.74 3.95 0.00 2.89 2.79 0.00 0.00 5.69 7.13 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 6 K 8.40 4.52 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.36 7.81 7 P 0.00 4.52 0.00 2.04 2.02 0.00 3.71 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 2.00 2.06 0.00 8 T 8.48 3.92 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 1.21 0.00 0.00 9 R 7.89 3.98 0.00 1.88 1.89 0.00 3.47 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 10 S 8.16 3.29 0.00 3.92 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 11 K 7.75 4.13 0.00 1.74 1.92 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 R 8.96 4.33 0.00 2.03 2.02 0.00 3.40 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 13 G 7.61 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 14 M 7.90 4.29 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 15 R 7.78 3.96 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 16 R 8.16 4.78 0.00 1.98 2.10 0.00 3.38 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 17 S 7.90 4.18 0.00 4.07 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 18 H 7.80 4.54 0.00 3.05 3.35 0.00 5.80 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.21 4.79 0.00 2.81 2.66 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 20 A 7.32 4.31 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.52 0.00 1.64 1.64 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.07 4.66 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 1.21 0.00 0.00 23 A 8.27 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.10 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 0.76 0.00 0.00 0.91 0.00 0.00 25 T 7.88 4.01 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 1.20 0.00 0.00 26 S 8.36 4.51 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.13 4.47 0.00 1.63 1.66 0.91 0.78 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 28 S 8.70 5.05 0.00 4.13 3.97 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 29 V 7.68 3.59 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 0.26 0.00 0.00 0.37 0.00 0.00 30 D 8.48 4.43 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.52 4.00 0.00 1.90 2.07 0.00 1.85 0.00 0.00 2.20 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.50 7.81 32 T 7.54 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 33 S 8.70 4.69 0.00 3.86 3.86 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 34 G 8.48 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 35 E 9.48 3.24 0.00 2.04 1.71 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 0.00 2.64 2.48 0.00 36 K 9.64 4.41 0.00 2.06 1.96 0.00 1.67 0.00 0.00 2.35 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.56 7.81 37 H 8.16 3.70 0.00 3.29 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.40 4.53 0.00 1.69 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.88 3.56 0.00 1.75 1.93 0.00 3.30 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 40 H 7.76 4.97 0.00 3.25 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.02 4.02 0.00 3.04 2.93 0.00 5.98 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.33 4.28 1.63 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.12 0.00 0.00 43 T 9.19 4.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 44 A 8.06 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.79 0.00 3.19 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 46 G 7.88 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.01 4.86 0.00 3.24 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.58 3.57 0.00 2.86 2.92 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 49 R 7.70 4.83 0.00 1.96 1.98 0.00 3.40 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 50 G 7.81 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 0.00 0.00 0.00 51 R 8.79 4.02 0.00 1.81 1.97 0.00 3.20 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 1.65 1.70 0.00 52 K 8.09 4.54 0.00 1.87 1.94 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.54 7.81 53 V 8.20 3.08 2.49 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 0.88 0.00 0.00 1.03 0.00 0.00 54 I 8.39 4.51 1.88 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 1.26 0.89 0.92 0.00 0.00 55 A 7.97 4.31 1.14 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 56 K 8.45 4.12 0.00 1.66 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81