NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3677 8.1585 120.3224 55.5982 34.4946 175.9543 2 A 4.2576 7.8148 124.6295 52.8981 19.2760 175.6112 3 D 4.7342 7.5549 113.6033 53.4788 46.1357 173.4298 4 T 4.2384 7.3370 113.3064 61.5857 70.0276 172.3982 5 D 4.8493 8.9068 132.6236 54.9414 42.9614 175.8658 6 T 3.1933 7.1048 114.9981 64.6028 67.6544 174.3769 7 A 4.0074 7.3079 121.4103 55.3732 18.8259 179.2164 8 E 3.9359 8.0816 117.3793 59.4320 29.6831 178.8419 9 Q 3.9641 7.9519 117.7236 58.9308 28.7380 178.8449 10 V 3.5066 7.5536 119.1885 65.8844 31.5763 178.1265 11 I 3.9433 7.8496 119.2589 64.5215 37.1783 178.2997 12 A 4.0245 8.4139 121.9432 55.2313 18.1998 179.9425 13 S 3.9699 8.4107 114.0871 61.6957 62.8870 176.9450 14 F 4.0055 8.6221 121.6252 60.3359 38.5932 177.4990 15 R 3.9074 8.2689 118.6559 59.6307 29.7809 178.5287 16 I 3.6937 7.5599 118.9279 64.4440 36.8859 178.4533 17 L 4.0173 7.5277 117.8568 57.5938 41.5904 178.7377 18 A 4.2162 8.2871 117.7917 51.5338 19.7504 176.4208 19 S 3.4455 7.7944 112.2048 60.2671 60.7920 170.8074 20 D 4.4101 8.1992 123.3762 55.1574 38.9169 174.4361 21 K 4.4498 7.1734 116.8455 53.8409 36.2362 176.0953 22 P 4.6492 0.0000 0.0000 64.0014 31.5825 175.0562 23 Y 5.0401 6.5550 115.2110 55.8644 41.4805 174.0238 24 I 4.8117 8.8842 119.6468 59.3067 41.5118 174.4570 25 L 4.6300 8.5910 127.3637 53.9315 43.4137 177.6945 26 A 4.0100 8.7563 123.5985 55.6194 18.4082 180.1254 27 E 3.9902 8.2273 116.5043 59.4448 29.4131 179.3391 28 E 3.9732 8.0781 118.1546 59.5897 29.6063 179.1914 29 L 3.7750 7.8186 118.7306 57.8854 41.3935 179.9265 30 R 3.8578 7.6993 116.9812 59.0061 30.1367 178.4116 31 R 4.2509 7.9199 116.4050 57.6456 30.4177 177.2208 32 E 4.4342 8.8888 117.8495 55.9402 30.6491 175.9593 33 L 4.8725 8.0089 118.2900 51.4664 45.4010 174.4592 34 P 4.1928 0.0000 0.0000 63.0634 31.9521 175.5340 35 P 4.1617 0.0000 0.0000 66.1439 31.3167 178.3691 36 D 4.4346 8.1164 117.0200 57.3410 40.6870 178.7611 37 Q 4.0553 8.8914 119.0461 58.8022 28.7587 178.3941 38 A 4.0762 8.0564 121.3315 55.2388 18.2613 179.2110 39 Q 3.8763 7.6684 116.4221 59.5119 29.3354 177.5892 40 Y 4.0375 7.8823 119.9256 60.8629 38.8979 177.8498 41 C 3.7194 8.5747 117.7201 62.9822 28.1486 176.0025 42 I 3.6531 8.0398 120.1749 64.2827 36.6665 177.7610 43 K 4.0153 7.2973 119.5121 59.7015 32.2104 178.2447 44 R 3.8008 7.2703 117.9808 57.0114 29.7310 176.2001 45 M 4.0993 7.5211 117.9313 54.2450 32.1186 176.0376 46 P 4.4377 0.0000 0.0000 62.5619 31.7535 175.5004 47 A 4.5324 8.2866 116.6423 53.7184 17.5428 177.6313 48 Y 3.7882 7.3975 117.4654 58.8761 40.5719 173.3620 49 S 5.3396 7.8859 117.7284 59.3819 64.3378 175.2032 50 G 4.3727 8.7054 111.7928 42.9445 0.0000 169.0944 51 P 4.4128 0.0000 0.0000 65.4216 31.6416 178.7382 52 G 4.1185 7.7391 106.6467 44.4461 0.0000 174.7310 53 S 4.0915 7.9393 116.7967 58.1172 62.6888 173.5265 54 V 4.3357 6.7245 113.3640 59.6407 35.6465 174.7040 55 P 4.3869 0.0000 0.0000 59.3421 29.7211 174.9177 56 G 3.1625 7.1044 115.0448 46.3980 0.0000 170.7561 57 A 4.7319 7.0106 119.8619 49.9713 22.2117 177.4610 58 L 5.1244 8.4736 117.8275 53.2204 46.2636 175.6948 59 D 4.9005 8.3523 121.1565 53.0829 41.8763 177.0679 60 Y 4.1649 7.4899 123.0211 58.9764 38.1842 177.3713 61 A 4.1558 7.1441 122.6937 55.2338 18.4039 179.2279 62 A 3.9834 7.8876 118.8225 55.2245 18.5075 179.4996 63 F 4.6249 8.1995 119.1318 61.2715 39.4206 177.4086 64 S 3.8847 8.5301 114.5657 61.5311 62.5218 176.5383 65 S 4.1646 7.7728 115.6985 60.9018 62.3870 175.6919 66 A 5.0019 7.7706 123.5973 54.5568 17.9263 179.2419 67 L 3.8868 7.7230 117.9421 58.0869 42.1458 178.0173 68 Y 4.9144 7.1631 113.3536 56.1100 38.5300 175.9467 69 G 3.9392 7.4674 105.0967 45.0712 0.0000 173.1089 70 E 4.6684 8.3732 124.3683 54.3581 31.1880 172.9021 71 S 3.8485 8.6979 123.8085 57.0810 63.3772 170.2871 72 D 4.6223 8.4899 125.2620 53.9767 41.8512 176.0710 73 L 4.1264 8.2110 124.8249 56.3126 40.0569 175.0542 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 M 8.16 4.37 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 2 A 7.81 4.26 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 3 D 7.55 4.73 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.34 4.24 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 1.19 0.00 0.00 5 D 8.91 4.85 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.10 3.19 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 -0.47 0.00 0.00 7 A 7.31 4.01 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 8 E 8.08 3.94 0.00 2.07 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 2.48 2.47 0.00 9 Q 7.95 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 10 V 7.55 3.51 2.34 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 1.14 0.00 0.00 1.08 0.00 0.00 11 I 7.85 3.94 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.94 1.18 0.00 0.00 12 A 8.41 4.02 1.35 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 0.00 0.00 13 S 8.41 3.97 0.00 3.94 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 14 F 8.62 4.01 0.00 2.51 1.45 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 15 R 8.27 3.91 0.00 2.06 2.01 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 16 I 7.56 3.69 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.48 0.88 0.00 0.00 17 L 7.53 4.02 0.00 1.81 1.82 0.93 0.94 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 18 A 8.29 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 3.45 0.00 4.03 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 20 D 8.20 4.41 0.00 2.80 2.64 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 21 K 7.17 4.45 0.00 1.61 0.74 0.00 1.39 0.00 0.00 1.40 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.19 1.59 7.81 22 P 0.00 4.65 0.00 2.27 2.20 0.00 3.39 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 23 Y 6.56 5.04 0.00 3.02 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 24 I 8.88 4.81 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.94 1.00 0.00 0.00 25 L 8.59 4.63 0.00 1.71 1.60 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.76 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.99 0.00 2.05 2.04 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 2.42 2.42 0.00 28 E 8.08 3.97 0.00 2.30 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 2.45 2.41 0.00 29 L 7.82 3.78 0.00 1.86 1.85 1.05 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.70 3.86 0.00 1.98 2.02 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 31 R 7.92 4.25 0.00 1.96 1.97 0.00 3.26 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 32 E 8.89 4.43 0.00 2.08 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 2.33 2.66 0.00 33 L 8.01 4.87 0.00 1.67 1.59 1.07 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.19 0.00 2.27 2.03 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 35 P 0.00 4.16 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 36 D 8.12 4.43 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 4.06 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 38 A 8.06 4.08 1.40 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 0.00 0.00 39 Q 7.67 3.88 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 40 Y 7.88 4.04 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.57 3.72 0.00 3.20 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 42 I 8.04 3.65 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.89 0.00 0.00 43 K 7.30 4.02 0.00 1.47 1.51 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.34 7.81 44 R 7.27 3.80 0.00 0.67 0.83 0.00 3.50 0.00 0.00 3.17 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.70 0.00 45 M 7.52 4.10 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 46 P 0.00 4.44 0.00 2.16 2.20 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 47 A 8.29 4.53 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.40 3.79 0.00 3.18 3.21 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 49 S 7.89 5.34 0.00 3.94 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 50 G 8.71 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.22 2.20 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 52 G 7.74 4.12 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 0.00 0.00 0.00 53 S 7.94 4.09 0.00 3.86 3.02 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 54 V 6.72 4.34 1.83 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 0.61 0.00 0.00 0.10 0.00 0.00 55 P 0.00 4.39 0.00 2.12 2.03 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 56 G 7.10 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 0.00 0.00 0.00 57 A 7.01 4.73 0.18 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 58 L 8.47 5.12 0.00 1.67 1.53 1.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.35 4.90 0.00 2.68 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 0.00 0.00 0.00 0.00 60 Y 7.49 4.16 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.14 4.16 1.25 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 0.00 0.00 0.00 0.00 0.00 62 A 7.89 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.20 4.62 0.00 3.18 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.53 3.88 0.00 4.18 4.45 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 65 S 7.77 4.16 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.77 5.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.72 3.89 0.00 1.46 1.24 0.60 0.70 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 68 Y 7.16 4.91 0.00 3.00 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 69 G 7.47 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 70 E 8.37 4.67 0.00 2.06 2.14 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 2.19 2.29 0.00 71 S 8.70 3.85 0.00 4.04 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 72 D 8.49 4.62 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.21 4.13 0.00 1.75 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00