NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3050 8.3449 121.7137 56.1246 29.8289 174.9669 2 E 4.1900 7.8159 120.1945 55.4869 30.4871 176.3478 3 K 3.8889 8.0428 119.4259 60.0771 32.4174 177.7289 4 E 3.8761 8.2606 117.8464 59.7742 29.2959 179.1712 5 A 3.8799 7.8961 122.2362 53.8156 18.1341 179.1582 6 I 3.8272 7.1285 117.3131 63.0383 37.3883 177.0039 7 E 4.4460 7.8088 118.3178 57.4370 30.3413 177.8674 8 R 4.0596 7.6872 118.7976 58.4822 30.0574 177.8565 9 L 3.9290 8.1255 118.5289 56.9395 42.1331 178.5503 10 K 4.8103 8.1534 120.3184 58.4900 32.0774 178.4229 11 A 4.1797 8.0009 120.1208 54.3996 18.4071 179.1137 12 L 4.2651 7.4255 116.8521 56.3358 41.6396 177.5740 13 G 3.9335 7.4209 106.8390 45.2652 0.0000 173.5282 14 F 4.7458 8.4285 118.7646 54.6785 41.6432 173.1732 15 P 4.8111 0.0000 0.0000 62.3334 33.6853 177.1061 16 E 4.0165 8.8807 119.4251 59.4800 28.8909 179.8075 17 S 4.0920 7.9981 113.3760 60.9960 62.6548 175.5052 18 L 3.9947 7.8856 121.4005 57.7289 40.5643 179.1654 19 V 3.5418 7.5899 119.5603 65.9445 31.5507 177.4197 20 I 3.4967 7.5487 118.3324 64.4121 37.8502 177.5995 21 Q 4.0263 7.6376 119.0263 58.2480 28.8027 177.9466 22 A 3.9547 7.9491 122.3451 55.3318 18.4346 178.7828 23 Y 3.9226 8.3536 118.1364 61.1014 38.8392 178.3288 24 F 4.0266 8.8246 118.4542 60.6088 38.7839 177.6065 25 A 3.9523 8.0065 119.3710 54.5078 18.1247 178.3926 26 C 4.2255 7.5363 113.2370 58.2056 29.6313 173.1117 27 E 3.3517 7.1281 123.0350 58.9866 27.1558 174.6466 28 K 3.9570 7.7091 122.5856 57.2001 30.3758 174.5284 29 N 4.6970 6.7683 117.2546 51.3757 41.5360 176.0989 30 E 4.4017 8.3600 121.7821 58.8560 30.1095 178.9165 31 N 4.3104 7.8862 117.5963 55.7335 38.7813 177.1740 32 L 4.0695 7.7769 120.9763 57.9174 42.1297 178.6478 33 A 4.1045 7.6457 120.1491 54.7467 18.1016 178.6507 34 A 4.3718 7.9117 115.9473 52.8834 18.6991 177.8240 35 N 4.7848 7.6511 117.9541 54.5982 40.5616 175.9706 36 F 4.2249 8.2263 120.6329 59.7982 39.6243 176.8711 37 L 4.1712 8.0265 118.1179 56.4110 41.9557 177.8983 38 L 4.7852 7.6422 114.7204 54.5278 42.7745 176.7975 39 S 4.5061 7.6406 110.7598 57.6268 63.8342 171.8749 40 Q 3.4688 7.7474 122.0788 56.0064 28.0800 175.6675 41 N 4.5834 8.3293 120.5407 52.4511 40.6139 174.7666 42 F 3.5634 8.0764 117.7456 58.5040 36.4049 175.4785 43 D 4.1209 8.0082 120.0514 56.0763 39.6896 176.2821 44 D 4.2975 7.2211 119.2294 54.0099 40.2212 176.1060 45 E 4.1761 8.8809 121.5359 56.8099 29.2061 177.1969 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 Q 8.34 4.30 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 2 E 7.82 4.19 0.00 2.31 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 0.00 2.36 2.59 0.00 3 K 8.04 3.89 0.00 1.96 2.12 0.00 1.52 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 4 E 8.26 3.88 0.00 2.19 2.25 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 2.47 2.44 0.00 5 A 7.90 3.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.13 3.83 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 1.47 0.68 0.90 0.00 0.00 7 E 7.81 4.45 0.00 2.14 2.16 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 2.31 2.28 0.00 8 R 7.69 4.06 0.00 2.07 1.95 0.00 3.17 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 9 L 8.13 3.93 0.00 1.61 1.67 0.55 1.03 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 10 K 8.15 4.81 0.00 2.00 1.83 0.00 1.97 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.44 7.81 11 A 8.00 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.27 0.00 2.10 2.12 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.42 3.93 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 0.00 0.00 0.00 14 F 8.43 4.75 0.00 3.31 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 15 P 0.00 4.81 0.00 2.29 2.19 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 16 E 8.88 4.02 0.00 2.03 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 0.00 2.57 2.39 0.00 17 S 8.00 4.09 0.00 3.89 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 18 L 7.89 3.99 0.00 2.09 2.00 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.59 3.54 2.17 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 1.00 0.00 0.00 1.04 0.00 0.00 20 I 7.55 3.50 1.95 0.00 0.00 -0.22 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 1.21 0.70 0.00 0.00 21 Q 7.64 4.03 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 22 A 7.95 3.95 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.92 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.03 0.00 3.18 3.09 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 0.00 25 A 8.01 3.95 0.94 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 0.00 0.00 26 C 7.54 4.23 0.00 3.01 2.75 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 0.00 0.00 0.00 27 E 7.13 3.35 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 2.11 2.18 0.00 28 K 7.71 3.96 0.00 1.68 1.92 0.00 1.35 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.60 7.81 29 N 6.77 4.70 0.00 2.84 2.44 0.00 0.00 6.63 7.58 0.00 0.00 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 8.36 4.40 0.00 2.30 2.39 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 2.41 2.36 0.00 31 N 7.89 4.31 0.00 2.73 2.88 0.00 0.00 6.69 6.74 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 32 L 7.78 4.07 0.00 1.66 1.54 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.65 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.37 1.38 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 0.00 0.00 0.00 35 N 7.65 4.78 0.00 2.97 2.81 0.00 0.00 6.95 7.60 0.00 0.00 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 F 8.23 4.22 0.00 3.16 3.09 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 0.00 37 L 8.03 4.17 0.00 1.57 0.88 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.64 4.79 0.00 1.67 1.73 0.94 0.51 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 39 S 7.64 4.51 0.00 3.80 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 40 Q 7.75 3.47 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.61 0.00 0.00 0.00 0.00 0.00 1.74 1.39 0.00 41 N 8.33 4.58 0.00 2.83 2.86 0.00 0.00 7.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.08 3.56 0.00 3.24 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 43 D 8.01 4.12 0.00 2.83 2.82 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 44 D 7.22 4.30 0.00 2.08 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.18 0.00 2.10 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 2.29 2.34 0.00