NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4969 8.2893 118.1887 54.6224 33.3358 175.0032 2 K 4.4394 7.8742 115.8001 56.3182 39.3082 173.4328 3 P 4.4291 0.0000 0.0000 61.6796 32.7668 178.0692 4 S 3.8324 8.7806 114.2568 62.3683 62.6174 176.7275 5 E 4.2895 8.1806 116.2054 57.8943 29.3499 177.4788 6 M 4.3303 9.0178 119.9604 57.8241 33.1689 177.8143 7 R 4.2867 8.1615 115.7392 59.3693 29.5887 178.3101 8 N 4.0915 8.7210 117.7098 54.6718 38.7092 174.4804 9 L 4.6664 7.5528 119.5927 52.8267 44.1831 176.4634 10 Q 4.1487 8.2553 118.0662 55.4259 30.7003 177.0297 11 A 3.6769 8.5605 125.4228 55.7512 18.2508 180.4732 12 T 3.8236 7.8036 107.4005 65.1238 68.2996 176.1773 13 D 4.3993 8.1325 121.6972 57.0542 40.7195 178.4293 14 F 4.2156 9.2126 118.8974 60.9728 38.9734 177.4988 15 A 4.0456 8.1363 119.8249 55.3725 17.8901 179.6367 16 K 3.9423 8.4158 117.4293 59.3801 32.4004 178.1090 17 E 4.2892 9.2971 116.1439 57.6595 29.1469 177.2753 18 I 4.2255 7.4278 119.5380 62.4300 38.3164 176.7701 19 D 4.4626 8.3527 117.8531 54.6979 39.6086 177.3121 20 A 4.5003 9.1856 123.3724 54.3876 20.1628 179.9685 21 R 3.8338 7.7061 115.9302 59.4281 30.1317 179.3645 22 K 4.0047 7.9688 117.5673 59.0490 31.8845 179.1153 23 K 4.0222 7.9387 119.7432 58.9811 32.1638 178.3171 24 E 3.9179 7.8258 119.9040 58.7809 29.5539 178.0184 25 L 4.0519 9.3950 119.6406 57.3056 42.0029 177.9196 26 M 4.1134 7.4096 116.5764 58.2351 32.5430 177.2258 27 E 3.5806 7.5742 118.5939 59.7610 29.6852 179.3884 28 L 3.9566 7.9701 118.4068 58.0531 41.6165 179.3613 29 R 3.9284 7.9158 118.3248 60.5065 29.8035 177.7631 30 F 4.4245 9.2359 118.3684 59.4391 38.5858 177.7833 31 Q 3.9388 8.5797 119.4858 59.8109 29.0598 179.2263 32 A 3.7878 8.5592 120.2698 56.3999 17.9855 179.1578 33 A 3.5958 8.0851 121.3045 54.3851 18.8984 179.2262 34 A 4.3389 8.6709 119.0406 51.7659 19.1243 174.5090 35 G 3.6146 8.5747 111.7422 45.8623 0.0000 173.2660 36 Q 5.2400 8.1761 135.0000 55.5698 30.5192 172.5051 37 L 3.9050 8.0364 118.7188 56.5955 41.4148 175.5725 38 A 4.5672 8.4632 128.3993 52.3808 21.3436 176.8807 39 Q 4.6230 7.6885 116.4855 54.8878 28.8367 175.2990 40 P 4.1944 0.0000 0.0000 66.3857 32.2629 178.6235 41 H 4.1514 8.7021 113.4678 59.5036 28.2114 177.5598 42 R 3.5872 7.7151 121.8621 59.2134 30.2559 177.0143 43 V 3.4890 7.9607 116.5756 65.7599 30.9038 177.8635 44 R 3.8760 7.8472 116.1078 60.1798 30.4595 177.9395 45 Q 4.1639 8.6257 118.8958 58.8665 28.6090 179.0297 46 L 3.7591 8.3534 121.7765 57.7985 42.1643 179.6317 47 R 3.9710 8.2988 118.4851 58.9602 30.0477 178.7161 48 R 3.8429 9.0570 119.2077 60.0619 30.1302 178.0266 49 E 4.0486 8.5581 118.2892 59.7916 29.4497 179.9097 50 V 3.4964 8.3773 118.0092 66.1869 31.3733 177.2601 51 A 3.8967 8.0317 120.1151 55.6804 17.9997 179.1143 52 Q 3.8589 8.2848 113.8876 59.6554 29.0772 180.4193 53 L 3.3617 7.8218 119.1694 57.4513 41.6904 179.4456 54 N 4.5271 8.0396 116.1893 56.2838 38.6761 177.4100 55 T 3.8942 8.9807 115.8897 67.7502 68.6780 175.7124 56 V 4.3877 9.0501 122.1319 64.1089 30.9799 178.4734 57 K 4.4908 8.6733 116.9286 59.0901 32.8256 177.5048 58 A 4.4885 7.7404 118.1065 52.6416 18.6318 178.0709 59 E 4.3171 10.3043 120.0927 58.9071 30.1289 178.6403 60 L 3.9761 7.8746 118.5136 57.4108 41.5883 178.7726 61 A 3.9411 7.3457 119.7598 54.6773 18.4499 178.3023 62 R 4.3631 7.7492 115.4171 56.8892 31.9947 176.5705 63 K 4.4136 7.9780 118.0395 57.0394 32.8662 177.3366 64 G 3.8037 8.1760 112.5027 44.4459 0.0000 173.3363 65 E 5.5677 8.9995 129.4842 55.4215 28.4158 176.3022 66 Q 4.1803 7.6923 122.6022 56.1628 29.1405 172.9912 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 8.29 4.50 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 7.87 4.44 0.00 1.92 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.51 7.81 3 P 0.00 4.43 0.00 2.20 2.07 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 4 S 8.78 3.83 0.00 3.89 4.07 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 0.00 0.00 0.00 5 E 8.18 4.29 0.00 1.97 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 2.31 0.00 6 M 9.02 4.33 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 7 R 8.16 4.29 0.00 2.14 2.28 0.00 3.21 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 8 N 8.72 4.09 0.00 2.70 2.98 0.00 0.00 6.94 7.73 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 9 L 7.55 4.67 0.00 1.95 1.71 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.26 4.15 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 11 A 8.56 3.68 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 12 T 7.80 3.82 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 1.22 0.00 0.00 13 D 8.13 4.40 0.00 2.91 2.91 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 14 F 9.21 4.22 0.00 3.17 3.13 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 15 A 8.14 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.94 0.00 1.74 2.05 0.00 1.81 0.00 0.00 1.98 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 E 9.30 4.29 0.00 1.98 1.88 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 2.57 2.48 0.00 18 I 7.43 4.23 2.04 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 1.50 1.09 0.89 0.00 0.00 19 D 8.35 4.46 0.00 2.82 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 20 A 9.19 4.50 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 21 R 7.71 3.83 0.00 1.87 1.95 0.00 3.15 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 22 K 7.97 4.00 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 23 K 7.94 4.02 0.00 1.77 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 24 E 7.83 3.92 0.00 2.15 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 2.27 2.27 0.00 25 L 9.40 4.05 0.00 1.93 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.41 4.11 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.80 0.00 27 E 7.57 3.58 0.00 1.89 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 2.43 2.45 0.00 28 L 7.97 3.96 0.00 1.76 1.72 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.92 3.93 0.00 2.06 2.26 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 30 F 9.24 4.42 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.94 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 32 A 8.56 3.79 1.37 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 33 A 8.09 3.60 1.27 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 0.00 0.00 34 A 8.67 4.34 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.57 3.61 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 0.00 0.00 0.00 36 Q 8.18 5.24 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 37 L 8.04 3.91 0.00 1.66 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.46 4.57 1.28 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 0.00 0.00 39 Q 7.69 4.62 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 40 P 0.00 4.19 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 41 H 8.70 4.15 0.00 3.35 3.54 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.72 3.59 0.00 1.89 2.21 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 43 V 7.96 3.49 2.27 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 1.07 0.00 0.00 0.98 0.00 0.00 44 R 7.85 3.88 0.00 2.14 2.00 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 45 Q 8.63 4.16 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 46 L 8.35 3.76 0.00 1.84 1.66 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.30 3.97 0.00 2.05 1.94 0.00 3.16 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 48 R 9.06 3.84 0.00 1.69 2.08 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 49 E 8.56 4.05 0.00 2.28 1.96 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 2.29 2.31 0.00 50 V 8.38 3.50 2.15 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 0.98 0.00 0.00 0.98 0.00 0.00 51 A 8.03 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.86 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 53 L 7.82 3.36 0.00 1.84 1.49 0.90 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.04 4.53 0.00 2.88 2.86 0.00 0.00 7.05 6.90 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 55 T 8.98 3.89 4.33 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 1.22 0.00 0.00 56 V 9.05 4.39 2.27 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 1.54 0.00 0.00 1.06 0.00 0.00 57 K 8.67 4.49 0.00 2.79 2.19 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.57 7.81 58 A 7.74 4.49 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 59 E 10.30 4.32 0.00 2.18 2.02 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 2.29 2.74 0.00 60 L 7.87 3.98 0.00 1.73 1.65 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.75 4.36 0.00 1.95 1.95 0.00 3.12 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 63 K 7.98 4.41 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.52 7.81 64 G 8.18 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 0.00 0.00 0.00 65 E 9.00 5.57 0.00 2.04 2.09 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 2.06 2.05 0.00 66 Q 7.69 4.18 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00