NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8470 8.4549 115.4363 56.0554 38.5789 173.3929 2 S 4.0054 7.9610 120.9496 55.1259 69.2377 175.0266 3 Q 3.6199 10.6583 124.7504 58.9811 27.6334 172.3614 4 N 4.2958 7.8129 106.5633 55.2622 37.4130 174.0330 5 E 5.4184 7.3275 118.8888 56.6870 32.6133 174.9282 6 Y 4.7213 7.9387 116.5943 57.2870 41.8578 173.7500 7 F 4.9845 9.0213 124.4637 57.1305 40.2793 174.6516 8 D 4.5282 8.2214 128.4050 53.7836 41.1983 177.3672 9 S 3.9670 8.6696 122.8414 60.6853 63.3908 175.5573 10 L 4.0505 8.3994 122.5823 57.1175 41.8648 177.3501 11 L 4.2915 7.8163 115.1700 53.9311 42.7221 175.5361 12 H 3.6487 7.9980 114.9718 56.1034 26.7195 173.1801 13 A 4.8602 6.7658 118.4348 51.3120 23.5282 176.2166 14 C 5.1803 8.6901 115.9118 55.7272 36.0516 174.0422 15 I 4.5495 7.9921 124.6007 58.3035 40.5937 173.4941 16 P 4.4313 0.0000 0.0000 63.1143 31.7709 177.7933 17 C 3.9452 8.6974 122.1588 60.5213 35.7812 176.1006 18 Q 3.9343 7.9976 118.3198 59.4354 28.0802 179.4404 19 L 3.9252 7.6569 118.9458 58.2518 42.1993 179.9677 20 R 4.0191 7.9672 117.1004 59.3590 29.9463 179.2196 21 C 4.0731 7.9184 115.4279 60.3599 40.3488 176.3514 22 S 4.2880 7.8103 114.2178 60.2931 63.1389 175.1636 23 S 4.2462 7.7050 118.1770 57.4008 63.2610 174.6058 24 N 4.1190 8.6647 124.1387 56.2542 39.3525 174.5618 25 T 4.6349 7.2488 113.5613 61.4169 68.4672 172.6231 26 P 4.1970 0.0000 0.0000 62.3166 32.3669 175.3815 27 P 4.4509 0.0000 0.0000 61.2669 32.7648 175.7175 28 L 4.1836 8.5956 118.3757 57.2154 41.5711 176.1571 29 T 3.9950 6.8195 108.3305 61.4699 65.2331 172.8610 30 C 5.3450 7.7919 129.2255 56.1620 44.0186 176.4143 31 Q 3.9337 8.3076 120.1482 59.4480 28.9324 178.2220 32 R 4.0708 8.0030 118.5070 58.9995 30.0819 178.1657 33 Y 3.9664 7.9838 119.1428 61.0039 38.7298 178.6718 34 C 4.9451 8.4198 116.7898 58.6250 41.4068 175.2413 35 N 4.3989 8.1576 119.5729 56.2901 38.5290 176.6225 36 A 3.9108 7.7352 121.9073 55.0184 18.7248 179.2481 37 S 4.0363 7.8984 112.9566 60.3622 62.9882 175.0413 38 V 4.6147 7.7333 121.8100 62.2448 31.8987 175.2073 39 T 4.1956 7.7595 120.1198 63.7367 69.4311 174.1309 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 C 8.45 4.85 0.00 3.09 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 2 S 7.96 4.01 0.00 3.95 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 3 Q 10.66 3.62 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 4 N 7.81 4.30 0.00 3.06 2.84 0.00 0.00 6.83 7.66 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 5 E 7.33 5.42 0.00 1.94 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 2.21 2.52 0.00 6 Y 7.94 4.72 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 7 F 9.02 4.98 0.00 2.98 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 8 D 8.22 4.53 0.00 2.22 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 0.00 0.00 0.00 9 S 8.67 3.97 0.00 3.89 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 10 L 8.40 4.05 0.00 1.52 1.83 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.82 4.29 0.00 1.49 1.57 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.00 3.65 0.00 3.23 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.77 4.86 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 14 C 8.69 5.18 0.00 2.86 3.16 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 0.00 15 I 7.99 4.55 0.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.12 0.92 0.00 0.00 16 P 0.00 4.43 0.00 2.17 1.98 0.00 3.61 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 2.10 2.09 0.00 17 C 8.70 3.95 0.00 1.94 2.61 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 18 Q 8.00 3.93 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 19 L 7.66 3.93 0.00 1.69 1.82 0.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.97 4.02 0.00 1.77 1.79 0.00 3.27 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.00 21 C 7.92 4.07 0.00 3.20 3.27 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 22 S 7.81 4.29 0.00 4.06 4.02 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 23 S 7.70 4.25 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.12 0.00 2.69 2.93 0.00 0.00 7.01 7.70 0.00 0.00 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 T 7.25 4.63 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 26 P 0.00 4.20 0.00 2.02 1.97 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.50 0.00 27 P 0.00 4.45 0.00 1.76 1.79 0.00 3.49 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.73 0.00 28 L 8.60 4.18 0.00 1.66 1.61 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 T 6.82 4.00 4.27 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 1.25 0.00 0.00 30 C 7.79 5.35 0.00 3.26 2.97 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 31 Q 8.31 3.93 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 32 R 8.00 4.07 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 33 Y 7.98 3.97 0.00 3.15 3.16 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 0.00 34 C 8.42 4.95 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.16 4.40 0.00 2.80 2.86 0.00 0.00 6.94 7.34 0.00 0.00 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 A 7.74 3.91 1.18 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 0.00 0.00 37 S 7.90 4.04 0.00 3.91 3.35 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 38 V 7.73 4.61 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 0.81 0.00 0.00 0.97 0.00 0.00 39 T 7.76 4.20 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00