NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9222 8.3549 109.7288 45.7117 0.0000 173.3464 2 S 4.3215 8.5325 115.3930 59.3473 64.1299 173.7577 3 M 4.2245 8.5415 121.9151 54.6814 31.1784 175.2896 4 S 3.7387 7.9940 116.4242 58.4863 62.6582 172.3325 5 T 4.4719 7.5971 114.7731 61.5581 70.5449 173.4904 6 S 4.3204 7.9263 120.2910 57.0240 63.3647 172.2880 7 E 3.5662 8.4401 126.0098 56.8295 26.0212 173.4021 8 L 4.1417 7.6832 118.9926 53.7248 42.0973 175.2634 9 K 4.4601 8.1506 126.9034 54.4186 34.9819 173.6187 10 K 4.9860 7.8677 119.2657 55.0130 35.3108 175.7250 11 V 4.9451 8.0972 111.0520 61.5956 36.8048 174.4994 12 V 4.2837 8.1240 122.5308 61.7673 34.4280 173.7250 13 A 5.2184 8.6416 123.0193 50.3460 21.0942 177.0630 14 L 4.0293 9.2129 121.0658 55.7328 43.4639 176.0861 15 Y 4.9911 7.5895 113.5693 56.3360 42.2140 173.9782 16 D 4.8695 8.8008 120.5232 55.1160 42.1256 176.5619 17 Y 4.8343 7.9345 116.7507 57.3535 40.0428 173.5474 18 M 4.1875 7.7607 122.0297 54.2300 33.3224 175.1039 19 P 4.2252 0.0000 0.0000 63.3122 32.2937 175.7802 20 M 4.2930 8.4574 118.8891 56.7116 33.4426 175.5056 21 N 4.7352 7.5548 111.5152 53.5310 41.2549 173.1104 22 A 4.4917 7.5799 121.0073 53.1817 25.2436 177.2405 23 N 4.6258 8.1576 113.2697 56.6104 38.8619 175.0023 24 D 4.8978 8.0075 116.1122 54.9710 41.4166 176.0825 25 L 4.6659 8.5074 123.5147 53.5352 43.8887 177.0443 26 Q 4.2784 8.2710 125.6262 55.6536 27.1858 176.0327 27 L 4.6941 7.6953 121.3890 55.3793 44.4016 174.9125 28 R 4.6329 8.7702 116.9032 57.0471 35.2379 172.8482 29 K 4.4459 9.2419 120.6060 56.8302 33.8988 176.3658 30 G 4.0123 8.9149 115.2298 45.4299 0.0000 173.2819 31 D 4.6346 7.6711 118.4705 54.0831 42.4152 175.0409 32 E 4.5529 8.1279 118.1256 55.1237 33.9714 174.5880 33 Y 5.1932 8.8295 118.0421 56.6907 42.7315 173.6539 34 F 4.9062 9.6572 118.2735 56.3077 41.8981 174.9817 35 I 4.4468 8.4566 125.2572 60.7345 37.2238 175.7388 36 L 4.5615 8.0653 126.2713 54.6327 44.2043 175.7464 37 E 4.6643 7.1887 117.0752 55.5308 32.4645 174.3452 38 E 4.5964 7.2913 113.0677 56.4355 31.7069 177.3415 39 S 4.4467 8.3065 116.9300 60.1570 63.3246 173.6763 40 N 4.9799 8.6544 118.9599 54.2191 39.0132 175.0875 41 L 5.0049 7.7966 114.6428 52.4976 44.0706 174.0608 42 P 4.0909 0.0000 0.0000 65.6017 32.2210 176.3813 43 W 4.5769 8.2280 119.8827 56.3499 30.0055 175.9778 44 W 5.3304 8.7828 124.9885 54.7691 31.9743 174.1553 45 R 5.5112 8.4831 114.5279 54.0346 29.0667 174.5022 46 A 5.0701 7.9084 124.4216 50.5303 22.9429 176.4815 47 R 5.6437 9.3069 117.8762 54.1516 33.2452 176.2131 48 D 5.2888 8.2265 120.5535 52.5371 41.4396 176.7817 49 K 4.1119 8.7620 118.1040 59.0843 32.5044 178.0499 50 N 4.6774 8.5252 115.3589 52.9551 38.2613 175.0995 51 G 3.9390 7.6491 104.4792 46.5046 0.0000 173.6459 52 Q 4.6376 7.8320 117.7330 53.4776 30.9140 175.1663 53 E 5.0346 8.5539 120.5998 55.8432 32.8126 175.9967 54 G 4.5404 7.8458 112.9857 46.5324 0.0000 175.5285 55 Y 5.9007 9.2849 120.5459 54.9045 41.7052 173.7626 56 I 4.3319 8.5176 122.8044 58.6102 40.8583 173.0211 57 P 3.6100 0.0000 0.0000 61.8529 31.7795 177.8680 58 S 3.5331 8.1913 119.0912 61.2001 62.8958 175.6050 59 N 4.3120 7.8014 117.2281 55.4835 37.3622 175.6828 60 Y 3.8398 7.9855 116.3176 59.9260 38.1202 175.9651 61 V 4.8294 7.2904 110.7499 59.3086 34.8397 176.2354 62 T 4.4138 8.4785 119.6340 61.6930 70.8773 173.4387 63 E 4.5495 8.8945 120.4935 54.6951 30.2693 175.2066 64 A 4.1032 8.8949 130.0855 54.8901 18.5957 177.3385 65 E 4.6055 7.4828 111.2132 55.1020 33.8394 174.8837 66 D 4.5861 8.2615 118.1417 53.1377 42.3228 175.1501 67 S 4.1689 8.3042 121.1891 58.8414 63.8970 174.4889 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 G 8.35 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 2 S 8.53 4.32 0.00 3.93 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 3 M 8.54 4.22 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 4 S 7.99 3.74 0.00 3.99 3.75 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 5 T 7.60 4.47 4.23 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 1.20 0.00 0.00 6 S 7.93 4.32 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.57 0.00 2.06 1.91 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 2.21 2.31 0.00 8 L 7.68 4.14 0.00 1.59 1.61 0.95 0.72 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 9 K 8.15 4.46 0.00 1.75 1.60 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.36 7.81 10 K 7.87 4.99 0.00 1.33 1.49 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.47 7.81 11 V 8.10 4.95 2.29 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 1.42 0.00 0.00 1.26 0.00 0.00 12 V 8.12 4.28 2.22 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 0.99 0.00 0.00 0.88 0.00 0.00 13 A 8.64 5.22 1.59 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 14 L 9.21 4.03 0.00 1.20 0.83 0.89 0.59 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 15 Y 7.59 4.99 0.00 2.93 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 16 D 8.80 4.87 0.00 2.83 2.74 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 0.00 0.00 0.00 0.00 17 Y 7.93 4.83 0.00 2.57 2.80 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 18 M 7.76 4.19 0.00 1.96 1.94 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 2.61 2.59 0.00 19 P 0.00 4.23 0.00 2.09 2.19 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 20 M 8.46 4.29 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.23 0.00 21 N 7.55 4.74 0.00 2.56 2.73 0.00 0.00 6.72 7.94 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 22 A 7.58 4.49 1.24 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 23 N 8.16 4.63 0.00 2.75 3.01 0.00 0.00 7.06 8.12 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 24 D 8.01 4.90 0.00 2.58 2.28 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 25 L 8.51 4.67 0.00 1.70 1.77 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.27 4.28 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 27 L 7.70 4.69 0.00 1.89 1.83 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.77 4.63 0.00 1.87 1.93 0.00 3.48 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 29 K 9.24 4.45 0.00 1.88 1.72 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.42 7.81 30 G 8.91 4.01 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 0.00 0.00 0.00 31 D 7.67 4.63 0.00 2.68 2.41 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 32 E 8.13 4.55 0.00 1.63 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 0.00 2.26 2.20 0.00 33 Y 8.83 5.19 0.00 2.99 3.24 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 34 F 9.66 4.91 0.00 3.11 3.05 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 0.00 0.00 0.00 35 I 8.46 4.45 1.89 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.08 0.00 0.00 36 L 8.07 4.56 0.00 1.87 1.63 1.05 0.86 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 37 E 7.19 4.66 0.00 1.81 1.70 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 0.00 2.10 2.11 0.00 38 E 7.29 4.60 0.00 1.94 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 1.94 2.14 0.00 39 S 8.31 4.45 0.00 4.06 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 40 N 8.65 4.98 0.00 2.72 2.86 0.00 0.00 6.64 7.82 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 41 L 7.80 5.00 0.00 1.92 1.71 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.09 0.00 1.58 2.07 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 43 W 8.23 4.58 0.00 3.35 3.50 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 44 W 8.78 5.33 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 5.51 0.00 1.65 1.63 0.00 3.10 0.00 0.00 3.21 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 46 A 7.91 5.07 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 47 R 9.31 5.64 0.00 1.81 1.85 0.00 3.12 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.40 0.00 48 D 8.23 5.29 0.00 3.09 3.05 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 0.00 0.00 0.00 49 K 8.76 4.11 0.00 1.79 1.92 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.47 7.81 50 N 8.53 4.68 0.00 2.96 2.83 0.00 0.00 6.94 7.51 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 51 G 7.65 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 52 Q 7.83 4.64 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 53 E 8.55 5.03 0.00 2.04 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 2.22 2.27 0.00 54 G 7.85 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.28 5.90 0.00 3.12 3.24 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 56 I 8.52 4.33 2.01 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 1.13 0.84 0.91 0.00 0.00 57 P 0.00 3.61 0.00 1.76 0.49 0.00 3.23 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.44 0.00 58 S 8.19 3.53 0.00 3.45 3.49 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 59 N 7.80 4.31 0.00 2.71 2.83 0.00 0.00 5.80 7.51 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 60 Y 7.99 3.84 0.00 2.98 2.96 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 0.00 0.00 0.00 0.00 61 V 7.29 4.83 2.32 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 0.91 0.00 0.00 0.93 0.00 0.00 62 T 8.48 4.41 4.18 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 1.17 0.00 0.00 63 E 8.89 4.55 0.00 1.98 1.80 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 2.24 2.37 0.00 64 A 8.89 4.10 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 65 E 7.48 4.61 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 66 D 8.26 4.59 0.00 2.52 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 67 S 8.30 4.17 0.00 3.83 3.66 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