NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4508 8.1633 120.3487 55.1015 33.4850 176.0787 2 K 3.8243 8.6516 126.6331 58.6725 32.1495 174.2669 3 V 3.5843 7.8627 118.3094 65.7515 32.0393 177.4112 4 K 3.8686 8.0385 118.9862 59.6522 32.0983 178.3397 5 Q 3.9671 8.0766 119.6942 58.9753 28.9187 177.9082 6 L 3.9491 7.9040 121.4510 58.1698 42.1028 179.1626 7 V 3.5839 8.0256 118.3245 65.9586 31.5028 177.5767 8 D 4.3885 8.2000 118.7237 57.4819 40.6337 179.1076 9 K 4.0066 7.9137 118.6164 59.3964 31.9613 179.6629 10 V 3.5772 8.0321 118.7387 65.7914 31.4459 177.5747 11 E 3.8926 8.5708 119.5956 59.3813 29.3803 178.5401 12 E 3.9579 8.1464 119.0662 59.1034 29.7054 178.4890 13 L 3.9858 8.0885 119.1964 58.1420 41.7140 179.7071 14 L 4.0620 8.2411 118.8576 57.6265 41.4846 179.5718 15 S 4.1087 8.2209 113.3285 61.3404 62.3165 176.3280 16 K 4.0975 8.4030 121.4694 59.6433 31.7254 179.1103 17 N 4.3873 8.4596 116.8289 55.9948 38.4697 176.7681 18 Y 4.0149 8.2259 121.2739 61.2303 38.9113 178.1624 19 H 4.1378 8.2842 117.2114 58.6749 28.7498 177.8676 20 L 4.0417 8.2222 121.8904 58.6719 40.2517 179.5228 21 V 3.5044 7.9310 119.2662 65.7911 31.4187 177.6455 22 N 4.1796 7.8022 116.1480 56.3519 38.3251 177.1893 23 E 3.9191 8.0633 119.8485 59.4038 29.4814 179.6304 24 V 3.5448 8.0192 118.1943 65.8809 31.5750 177.8086 25 A 3.9367 8.3017 120.9747 55.1176 18.0898 179.5946 26 R 3.7999 7.9655 117.1051 59.5821 30.2194 178.7109 27 L 3.9519 7.8528 118.7895 57.9114 41.6357 179.7703 28 V 3.6081 8.0769 118.3880 65.6279 31.5345 178.0165 29 K 3.9155 8.2151 119.5222 59.5340 31.8708 178.7801 30 L 3.9945 7.8507 118.0587 57.7788 41.6989 179.4333 31 V 3.8243 7.9741 118.3197 65.9891 31.2874 178.3596 32 G 3.6955 8.0354 104.2614 46.9866 0.0000 174.4094 33 E 4.3705 8.1085 117.2583 57.2958 30.1649 176.2711 34 R 3.9628 7.5729 123.8302 55.6449 29.4359 175.6896 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 8.16 4.45 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 K 8.65 3.82 0.00 1.92 1.84 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 V 7.86 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 4 K 8.04 3.87 0.00 1.86 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 Q 8.08 3.97 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 6 L 7.90 3.95 0.00 1.90 1.86 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.03 3.58 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 1.03 0.00 0.00 0.95 0.00 0.00 8 D 8.20 4.39 0.00 2.95 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.01 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 10 V 8.03 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 11 E 8.57 3.89 0.00 2.15 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 2.30 2.31 0.00 12 E 8.15 3.96 0.00 2.16 2.06 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 2.32 2.41 0.00 13 L 8.09 3.99 0.00 1.98 1.73 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.24 4.06 0.00 1.81 1.73 0.92 1.10 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 15 S 8.22 4.11 0.00 3.91 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 16 K 8.40 4.10 0.00 2.02 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.85 7.81 17 N 8.46 4.39 0.00 2.87 2.89 0.00 0.00 6.61 7.06 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 18 Y 8.23 4.01 0.00 3.03 3.08 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 19 H 8.28 4.14 0.00 3.29 3.35 0.00 5.67 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 20 L 8.22 4.04 0.00 1.91 1.93 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.93 3.50 2.03 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 1.04 0.00 0.00 0.95 0.00 0.00 22 N 7.80 4.18 0.00 2.78 2.73 0.00 0.00 7.03 7.65 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 23 E 8.06 3.92 0.00 2.16 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 2.52 2.45 0.00 24 V 8.02 3.54 2.17 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 1.07 0.00 0.00 0.97 0.00 0.00 25 A 8.30 3.94 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 26 R 7.97 3.80 0.00 1.89 2.09 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 L 7.85 3.95 0.00 1.88 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.08 3.61 2.07 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 0.98 0.00 0.00 0.95 0.00 0.00 29 K 8.22 3.92 0.00 1.92 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 30 L 7.85 3.99 0.00 1.81 1.71 0.91 0.91 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 31 V 7.97 3.82 2.07 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 1.00 0.00 0.00 0.98 0.00 0.00 32 G 8.04 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.11 4.37 0.00 2.03 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 2.25 2.44 0.00 34 R 7.57 3.96 0.00 1.82 2.04 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00