NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9729 8.3544 109.7382 45.7292 0.0000 173.9881 2 S 4.5254 8.4412 119.8966 56.2738 63.5192 172.8268 3 H 4.4616 8.5491 114.8559 54.9530 28.6628 175.7795 4 M 5.2343 7.4704 115.8440 55.9421 32.8445 178.0900 5 Y 4.3418 8.8301 120.4570 61.0467 38.0539 177.6520 6 D 3.7621 8.2483 119.9326 56.4249 39.2275 178.2764 7 N 4.3311 8.3379 117.9577 56.0863 38.2644 176.9132 8 L 4.0507 7.9338 120.9774 58.1693 42.1989 178.2294 9 Y 3.9643 8.4109 115.5663 59.5835 38.3285 176.5686 10 L 3.7478 7.7752 122.7005 55.0938 39.9620 175.8019 11 H 4.4346 8.6300 122.7531 58.4624 29.5390 177.1623 12 G 4.3437 7.6135 103.2626 44.2565 0.0000 174.7102 13 I 4.5733 7.0589 119.6223 60.6369 40.1026 174.7533 14 E 4.1161 8.0019 120.2200 56.6935 31.1112 177.7711 15 D 4.6077 8.5747 114.5842 54.0973 44.3853 177.4635 16 S 3.8626 8.5835 121.3598 59.2843 62.7116 175.2119 17 E 4.0840 9.2694 111.5417 55.8319 29.7074 175.3308 18 A 4.3569 7.8451 124.2444 52.7141 21.2641 179.7517 19 G 4.1545 7.7934 105.9337 44.4133 0.0000 175.3540 20 S 4.4721 9.4048 109.0519 58.4103 65.8495 177.7334 21 A 3.6971 7.3592 123.2859 54.9211 15.0875 175.6768 22 D 4.7069 6.8983 121.5867 51.8814 45.1624 174.8495 23 S 4.9754 8.3302 120.3960 55.5841 61.7675 172.1044 24 Y 4.4894 7.3229 121.4716 58.1686 42.0577 174.7293 25 T 4.4733 7.8634 121.3885 62.0761 70.1511 175.1340 26 S 4.2592 8.5258 117.8725 61.6661 62.7638 173.8475 27 R 4.7652 7.6350 118.1579 57.0710 36.9389 174.0365 28 P 4.5314 0.0000 0.0000 64.8461 32.6891 176.1399 29 S 4.4039 7.2718 116.1765 57.9825 67.2519 176.3999 30 D 4.6654 8.6590 118.6712 52.7445 44.5269 174.3381 31 S 4.3854 8.4047 118.0106 56.8179 65.4350 172.1598 32 D 5.4976 8.7054 127.2472 51.5439 39.9169 175.9690 33 V 4.3491 7.6420 121.8076 60.2894 33.9759 173.6632 34 S 4.7730 8.2741 116.8413 59.1597 60.2056 174.5811 35 L 4.3683 7.6460 120.9033 55.8742 41.9131 178.8710 36 E 4.8284 7.7734 117.6123 57.8928 29.4813 178.6638 37 E 4.2498 7.7004 116.5673 57.0404 29.2134 176.2890 38 D 4.3359 8.1208 119.9588 54.4915 41.9252 176.3421 39 R 4.2450 8.5639 125.2867 56.5516 30.4949 177.8168 40 E 3.9799 8.8498 121.8557 59.0174 29.3770 177.9913 41 A 4.0689 7.6036 121.9241 54.6585 19.0329 178.2509 42 I 4.2470 7.5181 106.3858 61.0861 38.0461 177.8820 43 R 4.6417 7.8339 121.3275 59.0710 29.0021 178.6207 44 Q 4.1318 8.0640 117.8922 59.1497 29.0565 178.3420 45 E 4.1007 8.1054 118.8641 59.3874 29.5128 179.0578 46 R 4.0443 7.7750 120.0904 58.9415 30.0454 178.2781 47 E 3.9571 8.8979 118.8596 59.4989 29.3384 179.0447 48 Q 4.1190 8.1183 119.4827 59.2462 29.0087 178.3782 49 Q 3.9538 8.3993 119.3958 58.8622 28.6080 178.4419 50 A 4.5185 8.6453 123.2936 54.6363 18.2835 179.4306 51 A 3.8982 8.2481 119.2724 55.4179 18.2880 179.6159 52 I 3.7089 8.1897 118.6438 64.8623 37.0623 178.1639 53 Q 3.8428 8.1969 118.9042 59.1941 28.3087 179.2946 54 L 3.9619 7.9998 119.1354 57.7647 42.0779 178.8418 55 E 4.0720 8.0111 118.6977 59.3595 29.6336 178.9526 56 R 3.9668 8.6796 118.5266 59.0974 29.8432 178.7306 57 A 4.1021 8.0724 120.3467 54.9808 18.3783 179.1810 58 K 4.0071 7.6314 116.3443 57.6328 32.5386 177.1336 59 S 4.1761 7.8543 114.7950 58.7864 63.2217 174.8945 60 K 4.4668 8.2236 128.8153 54.3482 30.8684 174.5695 61 P 4.4352 0.0000 0.0000 63.0067 31.1465 177.1822 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 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.44 4.53 0.00 3.91 3.84 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 3 H 8.55 4.46 0.00 2.65 3.05 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.47 5.23 0.00 2.05 2.16 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 2.71 2.59 0.00 5 Y 8.83 4.34 0.00 3.01 3.41 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 6 D 8.25 3.76 0.00 2.44 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 7 N 8.34 4.33 0.00 2.99 2.93 0.00 0.00 6.69 6.44 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 8 L 7.93 4.05 0.00 1.72 1.92 0.96 1.06 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 9 Y 8.41 3.96 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 10 L 7.78 3.75 0.00 1.80 1.57 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.63 4.43 0.00 3.23 3.35 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.61 4.34 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 0.00 13 I 7.06 4.57 1.88 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 1.48 0.21 0.92 0.00 0.00 14 E 8.00 4.12 0.00 2.06 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 2.28 2.37 0.00 15 D 8.57 4.61 0.00 2.64 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 16 S 8.58 3.86 0.00 4.19 3.54 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 17 E 9.27 4.08 0.00 1.98 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 2.29 2.46 0.00 18 A 7.85 4.36 1.23 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 0.00 0.00 0.00 19 G 7.79 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.40 4.47 0.00 3.95 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 21 A 7.36 3.70 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 22 D 6.90 4.71 0.00 2.11 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 23 S 8.33 4.98 0.00 3.77 3.77 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 0.00 0.00 0.00 0.00 24 Y 7.32 4.49 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.47 4.40 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 1.24 0.00 0.00 26 S 8.53 4.26 0.00 3.83 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 27 R 7.63 4.77 0.00 1.76 1.86 0.00 3.36 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 28 P 0.00 4.53 0.00 2.08 2.09 0.00 3.77 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 2.02 2.07 0.00 29 S 7.27 4.40 0.00 3.77 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 30 D 8.66 4.67 0.00 2.51 2.23 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 0.00 31 S 8.40 4.39 0.00 3.75 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 32 D 8.71 5.50 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.35 2.05 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 0.74 0.00 0.00 0.91 0.00 0.00 34 S 8.27 4.77 0.00 4.02 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 35 L 7.65 4.37 0.00 1.66 1.69 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.77 4.83 0.00 2.18 2.24 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 2.30 2.26 0.00 37 E 7.70 4.25 0.00 1.96 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 2.55 2.39 0.00 38 D 8.12 4.34 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 4.25 0.00 1.87 1.86 0.00 3.18 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 40 E 8.85 3.98 0.00 1.96 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 2.32 2.32 0.00 41 A 7.60 4.07 1.26 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 0.00 0.00 0.00 42 I 7.52 4.25 1.87 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 1.70 0.53 0.91 0.00 0.00 43 R 7.83 4.64 0.00 2.17 2.62 0.00 3.06 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.53 0.00 44 Q 8.06 4.13 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 45 E 8.11 4.10 0.00 2.25 2.31 0.00 0.00 0.00 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 2.37 0.00 46 R 7.77 4.04 0.00 1.94 2.06 0.00 3.20 0.00 0.00 3.54 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 47 E 8.90 3.96 0.00 2.24 1.99 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 2.33 2.57 0.00 48 Q 8.12 4.12 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 49 Q 8.40 3.95 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 50 A 8.65 4.52 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 51 A 8.25 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 3.71 1.94 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 1.52 0.87 0.91 0.00 0.00 53 Q 8.20 3.84 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 54 L 8.00 3.96 0.00 1.73 1.72 0.93 0.83 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 55 E 8.01 4.07 0.00 2.02 1.94 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 2.38 2.35 0.00 56 R 8.68 3.97 0.00 1.91 1.89 0.00 3.32 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 57 A 8.07 4.10 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 58 K 7.63 4.01 0.00 1.79 2.11 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 59 S 7.85 4.18 0.00 3.87 3.83 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 0.00 0.00 0.00 60 K 8.22 4.47 0.00 1.77 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.34 7.81 61 P 0.00 4.44 0.00 2.19 2.07 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00