NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6912 8.1293 121.6744 57.9201 38.5984 174.2938 2 D 4.2111 8.4760 125.4198 52.0385 40.2629 176.2018 3 G 3.9472 7.9702 108.6259 45.8899 0.0000 175.1658 4 T 4.2607 7.9164 108.2442 61.7119 69.1533 174.2727 5 H 4.6201 8.0942 120.9310 54.6725 28.9997 174.4288 6 C 5.2191 8.4352 122.7480 54.6454 41.8229 175.1110 7 K 3.6410 8.1356 126.7179 58.7869 32.0597 175.9895 8 A 4.4139 7.3583 118.3585 50.7608 22.4173 173.6593 9 P 4.2364 0.0000 0.0000 64.0389 31.6947 177.4811 10 G 3.9787 9.5299 110.2875 45.8109 0.0000 173.7516 11 N 4.9547 7.9566 118.7619 51.9869 39.2893 173.2555 12 C 5.4441 8.3889 115.5409 54.8183 41.4990 173.8227 13 W 4.2267 8.1326 130.2901 57.0106 30.9003 175.2570 14 E 3.7738 5.9000 123.6843 52.9831 32.6808 173.8309 15 P 3.9297 0.0000 0.0000 62.3828 32.3401 176.0317 16 K 4.3530 8.1071 118.3626 54.3885 33.3784 174.5695 17 P 4.2798 0.0000 0.0000 65.2795 31.1676 174.9756 18 G 4.0562 8.9920 115.5459 46.2618 0.0000 173.9080 19 F 4.3872 8.4730 120.6233 55.9268 39.5451 173.8477 20 P 4.7246 0.0000 0.0000 62.0316 32.4878 175.6573 21 E 4.4614 8.6486 118.1880 57.6851 29.9618 176.3284 22 K 4.7728 7.8652 116.6991 54.7678 36.1875 175.7000 23 I 4.2816 8.3576 114.8551 61.4391 39.2585 175.6616 24 A 4.1608 8.0259 122.5562 53.7359 18.3405 178.3099 25 G 3.9784 8.8188 109.3295 46.0833 0.0000 174.1380 26 S 4.4864 7.8987 115.1297 56.9717 64.6976 174.6114 27 K 4.1459 8.1833 117.7736 58.4443 32.3160 176.7595 28 Y 4.8696 7.4308 116.1216 57.7274 38.6298 175.1719 29 D 4.4622 7.8540 121.6125 53.6054 41.4968 174.7453 30 P 4.2147 0.0000 0.0000 63.6619 32.2375 176.1493 31 K 3.7611 9.7162 118.3572 57.6917 29.8955 174.7599 32 H 4.4842 7.6138 114.2289 55.6171 30.0806 175.7847 33 D 4.6989 8.4982 122.3196 52.6419 42.3095 175.6588 34 P 4.2522 0.0000 0.0000 65.3832 31.1092 178.7100 35 K 3.9660 7.8900 116.5038 59.4705 32.2751 178.8602 36 E 4.0968 8.0619 118.2106 59.4578 29.3422 178.9000 37 L 3.9589 7.9261 118.0261 57.9473 42.0039 178.6998 38 N 4.6552 8.1783 113.9242 53.9815 38.7857 177.3184 39 K 4.0976 8.0178 121.2477 59.1007 32.0136 179.0701 40 Q 3.9480 8.0233 118.1648 58.9636 28.7258 178.7142 41 V 3.5567 7.7447 118.3994 66.2155 31.7638 177.3992 42 E 3.9372 8.4681 118.5869 59.7941 29.3417 179.6055 43 S 4.1911 8.5047 113.1367 61.3015 62.4427 176.0592 44 R 3.8918 8.4192 121.9439 59.0983 29.6546 178.1132 45 K 3.9214 8.1611 119.7676 59.5692 32.0931 178.8745 46 G 3.5291 7.6579 104.3243 47.9214 0.0000 175.3685 47 E 3.9847 8.0703 121.8409 59.2119 29.4613 179.5696 48 E 4.0434 8.6351 118.7290 58.9978 29.3955 179.2079 49 E 3.8772 7.9856 119.4007 59.4052 29.9068 178.9349 50 R 3.8241 8.3301 118.5086 59.4648 30.0423 178.9008 51 N 4.4394 8.6560 116.3659 56.0772 38.4723 177.4133 52 A 4.0065 8.3107 122.8087 55.4346 18.4258 178.5759 53 N 4.1119 8.4349 114.8986 56.2856 38.4777 177.6283 54 R 3.0905 7.8164 118.2964 59.1815 30.2451 178.9206 55 A 4.0892 7.7786 120.4044 55.0868 18.5205 179.5519 56 E 3.8960 8.2572 117.2089 59.9582 29.7255 179.1954 57 H 4.1096 8.6196 118.4830 58.8055 29.8192 177.1914 58 F 4.7556 8.3034 124.3220 60.6641 39.0758 177.0091 59 K 3.7140 7.9614 118.1185 59.3444 31.9752 178.3748 60 K 4.1429 7.7533 117.4829 58.3623 32.4023 178.3630 61 T 4.4037 7.6091 106.7775 60.7317 69.5708 175.5946 62 G 3.8505 9.0574 109.9387 45.3695 0.0000 173.3978 63 K 4.9245 7.7728 117.1179 55.3033 35.2336 174.3499 64 W 4.5396 8.8820 132.4748 56.2095 31.5546 175.3279 65 V 4.5013 7.8042 124.8222 61.2619 33.5293 174.4510 66 Y 3.9557 9.4835 128.0927 60.9802 39.1521 176.4697 67 D 3.9947 7.8507 115.3043 53.1331 41.0764 174.7791 68 V 3.6922 8.2747 125.5458 63.1690 31.4171 175.3360 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 Y 8.13 4.69 0.00 2.61 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.48 4.21 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 3 G 7.97 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.92 4.26 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 5 H 8.09 4.62 0.00 3.45 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.44 5.22 0.00 2.96 3.25 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 7 K 8.14 3.64 0.00 1.78 2.04 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 8 A 7.36 4.41 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 9 P 0.00 4.24 0.00 2.06 2.02 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 10 G 9.53 3.98 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 0.00 0.00 0.00 11 N 7.96 4.95 0.00 2.70 2.69 0.00 0.00 6.99 7.52 0.00 0.00 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 C 8.39 5.44 0.00 3.09 3.25 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 13 W 8.13 4.23 0.00 3.22 3.14 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 0.00 0.00 0.00 14 E 5.90 3.77 0.00 1.47 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 1.94 2.07 0.00 15 P 0.00 3.93 0.00 2.32 2.21 0.00 3.19 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 16 K 8.11 4.35 0.00 1.58 1.79 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.53 7.81 17 P 0.00 4.28 0.00 2.11 2.08 0.00 3.73 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 2.07 2.13 0.00 18 G 8.99 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.47 4.39 0.00 3.22 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 20 P 0.00 4.72 0.00 2.48 2.17 0.00 4.18 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 2.22 2.14 0.00 21 E 8.65 4.46 0.00 1.98 2.10 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 2.34 2.52 0.00 22 K 7.87 4.77 0.00 1.78 1.67 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.50 7.81 23 I 8.36 4.28 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 1.06 0.00 0.00 24 A 8.03 4.16 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 25 G 8.82 3.98 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 0.00 0.00 0.00 26 S 7.90 4.49 0.00 3.97 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 27 K 8.18 4.15 0.00 1.62 1.73 0.00 1.07 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.75 0.21 7.81 28 Y 7.43 4.87 0.00 3.08 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 29 D 7.85 4.46 0.00 2.90 2.59 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 30 P 0.00 4.21 0.00 1.54 2.03 0.00 3.95 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 1.86 1.89 0.00 31 K 9.72 3.76 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.38 7.81 32 H 7.61 4.48 0.00 3.14 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.50 4.70 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.20 2.09 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 35 K 7.89 3.97 0.00 2.09 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 36 E 8.06 4.10 0.00 2.10 1.97 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 2.40 2.34 0.00 37 L 7.93 3.96 0.00 1.78 1.75 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.18 4.66 0.00 2.92 2.83 0.00 0.00 7.02 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 39 K 8.02 4.10 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.70 7.81 40 Q 8.02 3.95 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 41 V 7.74 3.56 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 42 E 8.47 3.94 0.00 2.18 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 2.45 2.48 0.00 43 S 8.50 4.19 0.00 3.87 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 44 R 8.42 3.89 0.00 1.93 1.91 0.00 3.36 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 45 K 8.16 3.92 0.00 2.08 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 46 G 7.66 3.53 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 0.00 0.00 0.00 47 E 8.07 3.98 0.00 2.06 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 2.35 2.60 0.00 48 E 8.64 4.04 0.00 1.98 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 2.35 2.52 0.00 49 E 7.99 3.88 0.00 2.19 2.11 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 2.28 2.47 0.00 50 R 8.33 3.82 0.00 1.75 1.78 0.00 3.01 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 51 N 8.66 4.44 0.00 2.78 3.05 0.00 0.00 6.91 6.67 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 52 A 8.31 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 53 N 8.43 4.11 0.00 2.78 2.67 0.00 0.00 6.94 7.27 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 54 R 7.82 3.09 0.00 1.35 0.66 0.00 3.06 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 55 A 7.78 4.09 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 0.00 0.00 56 E 8.26 3.90 0.00 2.27 1.98 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 2.32 2.31 0.00 57 H 8.62 4.11 0.00 3.12 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.30 4.76 0.00 3.16 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 59 K 7.96 3.71 0.00 1.95 1.97 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.62 7.81 60 K 7.75 4.14 0.00 1.70 1.76 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 61 T 7.61 4.40 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 1.03 0.00 0.00 62 G 9.06 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 0.00 0.00 0.00 63 K 7.77 4.92 0.00 2.07 2.02 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.59 7.81 64 W 8.88 4.54 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 4.50 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 0.86 0.00 0.00 0.94 0.00 0.00 66 Y 9.48 3.96 0.00 3.11 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 67 D 7.85 3.99 0.00 2.72 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 68 V 8.27 3.69 2.08 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 0.79 0.00 0.00 0.94 0.00 0.00