NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1299 8.0544 114.0808 61.2197 32.9718 174.2383 7 D 4.7294 8.7194 123.5042 52.4846 43.0870 174.4978 8 C 4.9277 9.4720 126.2355 57.1459 36.8401 175.1030 9 S 4.2664 7.9988 118.8050 61.8163 62.5246 175.7023 10 E 4.3817 8.2245 117.7651 56.9817 28.9622 175.7141 11 Y 4.2572 7.7623 116.4232 55.1256 40.4894 173.7065 12 P 4.8638 0.0000 0.0000 62.4979 31.9980 175.6071 13 K 4.5757 9.1643 117.8727 53.8111 34.9925 176.1748 14 P 4.3660 0.0000 0.0000 64.7817 31.8126 176.0823 15 A 4.7430 7.2856 120.8543 50.9394 22.2558 174.5845 16 C 5.1320 8.4167 117.0927 54.8768 43.6997 174.5477 17 T 4.2115 8.4916 112.8152 61.8856 69.1132 173.5056 18 A 4.8293 8.1955 123.1012 51.6363 19.5986 176.5352 19 E 4.3237 8.2527 117.2337 57.1656 31.0458 175.1901 20 Y 4.8365 8.4144 121.1123 56.3643 39.5956 176.0373 21 R 4.5141 8.5084 127.6533 54.0732 32.9254 172.8824 22 P 4.4952 0.0000 0.0000 62.4417 33.2606 175.4237 23 L 4.9732 8.7757 120.2878 53.0928 46.2045 174.6732 24 C 4.9393 8.6942 123.0446 54.8690 43.9061 173.7397 25 G 4.6214 9.0579 114.5451 45.4904 0.0000 174.2535 26 S 4.4484 9.0622 114.9353 59.9521 63.1367 174.7084 27 D 4.6315 8.1303 119.7814 53.0499 39.4296 176.5176 28 N 4.3232 8.1956 115.3719 53.8507 36.9193 173.4346 29 K 4.4721 8.1288 120.5012 54.9803 34.3347 175.5970 30 T 4.5560 8.3228 123.8976 63.7339 69.1636 173.4276 31 Y 4.3209 9.2969 125.3552 56.4208 39.4719 177.5683 32 G 3.6287 9.0339 112.6548 48.1549 0.0000 172.5292 33 N 5.3269 7.9623 117.6837 51.4117 41.0765 175.2907 34 K 4.0085 8.5434 120.1126 60.3166 32.5434 179.6331 35 C 4.5111 8.1937 120.5117 59.0129 38.4594 175.1590 36 N 4.3667 8.9217 118.4764 56.1429 38.0676 177.1350 37 F 3.3920 8.4133 122.1273 61.4554 39.5185 176.6492 38 C 3.6581 8.2239 116.3600 59.7217 39.8323 175.9032 39 N 4.2384 8.1066 117.9597 56.0336 38.0788 177.2851 40 A 3.8932 7.6185 122.0898 54.6089 18.4466 179.7886 41 V 3.1603 7.1963 117.3444 65.9332 31.5123 178.4228 42 V 3.4925 7.5639 117.8697 66.0659 31.1928 177.5618 43 E 4.1091 8.1411 118.1526 58.9107 29.7201 177.8855 44 S 4.4544 7.9623 112.6372 57.2560 63.2709 173.5757 45 N 4.3576 9.3105 119.4450 55.1908 37.4584 174.9627 46 G 3.8988 8.2329 102.7156 45.7075 0.0000 175.0875 47 T 4.1758 7.4652 109.5538 62.3164 69.6236 175.1448 48 L 4.1945 7.5524 124.8312 54.7496 42.7502 175.3264 49 T 4.8486 8.6507 114.7833 59.6424 73.0510 172.0297 50 L 4.2149 8.4080 123.7354 54.6935 42.1522 176.0047 51 S 4.3813 8.9553 122.9033 60.6282 62.7627 173.3053 52 H 4.4416 7.1845 112.2242 54.9016 31.3618 172.3846 53 F 4.3350 8.7005 117.5688 57.6082 39.7378 176.3957 54 G 3.9406 8.4711 109.6903 44.4994 0.0000 173.3787 55 K 4.2327 8.0264 117.3386 56.0856 32.7377 178.3226 56 C 4.5201 8.8104 118.1220 57.4822 41.0776 173.8713 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 6 V 8.05 4.13 2.13 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 0.94 0.00 0.00 1.01 0.00 0.00 7 D 8.72 4.73 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 8 C 9.47 4.93 0.00 2.92 2.88 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 9 S 8.00 4.27 0.00 3.99 3.94 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 10 E 8.22 4.38 0.00 1.68 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 2.28 2.35 0.00 11 Y 7.76 4.26 0.00 3.31 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 12 P 0.00 4.86 0.00 2.21 2.12 0.00 3.71 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 1.99 2.00 0.00 13 K 9.16 4.58 0.00 1.73 1.67 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.15 1.20 7.81 14 P 0.00 4.37 0.00 2.17 2.17 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.29 4.74 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 16 C 8.42 5.13 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.49 4.21 4.30 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 1.24 0.00 0.00 18 A 8.20 4.83 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 19 E 8.25 4.32 0.00 2.15 2.01 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 2.31 2.27 0.00 20 Y 8.41 4.84 0.00 2.85 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 21 R 8.51 4.51 0.00 1.64 1.73 0.00 3.34 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 22 P 0.00 4.50 0.00 1.93 1.47 0.00 3.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 23 L 8.78 4.97 0.00 1.31 1.03 0.50 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.69 4.94 0.00 2.92 2.45 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 0.00 0.00 0.00 0.00 25 G 9.06 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.06 4.45 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.13 4.63 0.00 2.86 2.87 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 28 N 8.20 4.32 0.00 2.94 3.01 0.00 0.00 6.74 7.68 0.00 0.00 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 K 8.13 4.47 0.00 1.75 1.63 0.00 1.45 0.00 0.00 1.20 0.00 0.00 2.33 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.69 1.15 7.81 30 T 8.32 4.56 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 1.28 0.00 0.00 31 Y 9.30 4.32 0.00 3.11 3.04 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 32 G 9.03 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.96 5.33 0.00 3.00 3.09 0.00 0.00 6.49 7.38 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 34 K 8.54 4.01 0.00 2.04 2.16 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.58 1.57 7.81 35 C 8.19 4.51 0.00 3.20 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.92 4.37 0.00 3.14 3.08 0.00 0.00 6.66 8.96 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 37 F 8.41 3.39 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 3.66 0.00 1.53 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 0.00 0.00 0.00 39 N 8.11 4.24 0.00 2.87 2.88 0.00 0.00 6.85 6.84 0.00 0.00 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 A 7.62 3.89 1.13 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 0.00 0.00 41 V 7.20 3.16 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.01 0.00 0.00 42 V 7.56 3.49 2.20 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 0.85 0.00 0.00 1.02 0.00 0.00 43 E 8.14 4.11 0.00 2.02 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 2.31 2.31 0.00 44 S 7.96 4.45 0.00 4.05 4.08 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 45 N 9.31 4.36 0.00 2.76 2.88 0.00 0.00 7.16 8.02 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 46 G 8.23 3.90 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 0.00 0.00 0.00 47 T 7.47 4.18 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 1.23 0.00 0.00 48 L 7.55 4.19 0.00 1.53 1.38 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.65 4.85 4.26 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 1.21 0.00 0.00 50 L 8.41 4.21 0.00 1.29 1.39 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.96 4.38 0.00 3.87 3.85 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 52 H 7.18 4.44 0.00 3.23 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.70 4.34 0.00 3.11 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 54 G 8.47 3.94 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 0.00 55 K 8.03 4.23 0.00 1.81 1.80 0.00 1.85 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.53 7.81 56 C 8.81 4.52 0.00 2.94 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