NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3256 8.3293 119.6879 55.6062 30.7860 175.8017 2 N 4.7949 8.0709 112.4431 51.6577 37.6248 170.8436 3 E 4.8647 8.0022 116.5718 55.6547 35.4177 175.8856 4 G 4.0187 8.0695 113.8060 44.4906 0.0000 171.0407 5 H 4.7433 8.1158 120.5725 55.0280 35.8426 174.3686 6 E 4.3965 8.2066 128.8793 55.4408 31.9316 174.7316 7 C 4.3562 8.2014 125.9344 58.4987 30.1111 172.8387 8 Q 4.4833 8.1403 122.4128 55.5730 28.8305 175.4112 9 C 4.0314 7.5188 113.8091 60.7599 28.4194 173.8095 10 Q 4.6384 8.4871 121.3014 55.7846 29.1857 177.2782 11 C 4.9896 7.3202 115.3682 59.4265 27.7935 173.9134 12 G 3.5480 8.6610 105.3319 46.6458 0.0000 174.9094 13 S 4.6609 7.8778 114.7833 58.8522 63.3367 174.9621 14 C 4.2789 7.7536 118.9394 61.2346 29.3404 175.6037 15 K 4.1480 7.5588 118.6879 58.4480 31.6569 178.5651 16 N 4.8379 7.9277 115.4556 54.4293 40.3310 175.8676 17 N 4.6429 7.4454 123.3045 52.4059 37.6706 175.0520 18 E 4.3348 8.3446 120.5771 56.5165 29.8117 178.2432 19 Q 4.3143 7.6112 116.9667 57.2050 28.9174 176.2742 20 C 4.8076 7.7680 112.3493 58.0116 30.0461 175.0603 21 Q 4.3383 7.9354 116.9310 57.4052 28.1639 176.5635 22 K 4.6475 7.6024 115.1312 55.9911 33.8584 177.1367 23 S 4.5192 7.5341 115.1018 56.7635 64.4288 174.7249 24 C 4.2917 7.9946 115.7286 58.0949 30.8582 174.6194 25 S 4.6163 8.4534 123.4867 58.1344 61.5297 173.3657 26 C 4.9332 7.6115 117.2395 57.1610 31.7348 173.5107 27 P 4.5677 0.0000 0.0000 62.3757 33.1855 175.0762 28 T 4.3992 8.1660 110.3640 62.6885 67.2131 175.6127 29 G 4.1282 7.7544 104.4617 45.4574 0.0000 173.3853 30 C 4.3823 7.9942 119.9482 58.3087 30.4238 173.0772 31 N 4.6875 7.7868 116.5209 53.7560 39.8516 174.1552 32 S 4.7936 7.6687 112.5975 57.9406 65.4150 173.4349 33 D 4.8272 8.4129 120.3973 54.6990 40.9322 176.8149 34 D 5.3143 7.5101 118.8700 53.2989 41.9591 176.2489 35 K 4.3039 7.9379 115.8695 55.5858 32.3968 174.8477 36 C 4.5417 8.1420 119.7346 56.7690 31.5338 171.6944 37 P 4.6172 0.0000 0.0000 62.3798 31.0986 175.6620 38 C 4.4884 7.5900 120.5852 59.5682 33.9207 173.1519 39 G 3.6932 8.6081 106.1122 48.5576 0.0000 173.0368 40 N 4.4420 7.6011 122.6429 53.9471 39.1942 173.6480 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 Q 8.33 4.33 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.38 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 2 N 8.07 4.79 0.00 2.89 2.87 0.00 0.00 5.79 6.77 0.00 0.00 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 E 8.00 4.86 0.00 1.92 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 0.00 2.21 2.25 0.00 4 G 8.07 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 0.00 0.00 0.00 5 H 8.12 4.74 0.00 3.21 3.16 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.21 4.40 0.00 1.97 1.92 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 2.23 2.28 0.00 7 C 8.20 4.36 0.00 2.93 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 8 Q 8.14 4.48 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 9 C 7.52 4.03 0.00 2.99 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 10 Q 8.49 4.64 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 11 C 7.32 4.99 0.00 2.98 2.90 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 12 G 8.66 3.55 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 0.00 0.00 0.00 13 S 7.88 4.66 0.00 3.86 3.88 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 14 C 7.75 4.28 0.00 2.99 3.07 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 15 K 7.56 4.15 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 16 N 7.93 4.84 0.00 2.87 2.85 0.00 0.00 7.05 8.00 0.00 0.00 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 N 7.45 4.64 0.00 3.00 2.77 0.00 0.00 7.12 7.54 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 18 E 8.34 4.33 0.00 2.02 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 2.37 2.32 0.00 19 Q 7.61 4.31 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.16 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 20 C 7.77 4.81 0.00 3.04 3.07 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 21 Q 7.94 4.34 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 22 K 7.60 4.65 0.00 1.67 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 23 S 7.53 4.52 0.00 3.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 4.29 0.00 3.07 3.10 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 0.00 0.00 0.00 25 S 8.45 4.62 0.00 3.90 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 26 C 7.61 4.93 0.00 2.98 2.82 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 0.00 0.00 0.00 0.00 27 P 0.00 4.57 0.00 2.16 2.07 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 28 T 8.17 4.40 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 29 G 7.75 4.13 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 0.00 30 C 7.99 4.38 0.00 2.95 2.90 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 31 N 7.79 4.69 0.00 2.71 2.80 0.00 0.00 7.20 7.64 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 32 S 7.67 4.79 0.00 3.88 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 33 D 8.41 4.83 0.00 2.78 2.67 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 34 D 7.51 5.31 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.30 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 36 C 8.14 4.54 0.00 2.95 2.84 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 0.00 0.00 0.00 0.00 37 P 0.00 4.62 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 38 C 7.59 4.49 0.00 2.99 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 39 G 8.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.44 0.00 2.61 2.62 0.00 0.00 7.04 7.44 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