NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4049 8.2893 120.3484 55.5922 32.9059 175.2930 2 S 4.2401 7.4687 117.7470 56.9766 65.9128 170.1247 3 V 3.5761 8.4216 122.0970 65.9689 31.7184 179.4144 4 K 3.9356 7.9810 119.1746 59.3556 31.9929 178.2800 5 E 3.9753 7.9026 119.7858 59.0918 29.5060 178.8672 6 L 4.0154 7.6963 119.1041 57.7587 41.7572 179.2167 7 E 3.9970 8.3801 118.6614 59.5488 29.3696 179.2019 8 D 4.4017 8.2055 118.9740 57.0291 40.8270 178.6996 9 K 3.9997 7.8245 120.2390 59.0707 32.0751 179.2111 10 V 3.5318 7.7984 118.7123 66.1027 31.6719 177.7862 11 E 3.9394 8.1726 118.3152 59.4275 29.2580 179.1190 12 E 3.9381 8.1985 119.2452 59.3728 29.6821 178.9410 13 L 4.0462 8.0601 118.9958 57.3843 41.6500 179.2218 14 L 3.6879 8.2264 121.0497 57.9871 42.0912 178.9612 15 S 4.1443 7.9282 112.8020 61.1826 62.3257 176.0504 16 K 4.0291 7.9416 122.0829 59.2692 31.8639 178.3090 17 N 4.2381 8.1964 117.6039 57.0751 38.9119 176.5471 18 Y 4.4973 7.8048 118.0220 61.5099 37.7588 178.2777 19 H 4.3143 8.3366 117.0277 58.6942 28.7525 177.7828 20 L 4.1317 7.8573 120.5374 57.5268 41.6449 179.1682 21 E 4.0462 8.4312 118.8272 59.4873 29.4105 179.1619 22 N 4.3978 8.3284 116.6719 56.1309 38.5620 177.1749 23 E 3.9557 7.9694 120.8984 59.2945 29.7755 179.0905 24 V 3.5996 8.0599 118.1823 65.8379 31.3816 177.9156 25 A 4.0389 8.0078 120.4286 54.7939 18.0062 179.7335 26 R 3.9091 7.8686 116.9564 59.7099 30.2822 178.7897 27 L 4.0384 8.0971 118.7016 57.5713 41.4904 179.7592 28 K 4.0193 8.0577 118.7796 59.3784 31.2488 179.5536 29 K 4.0563 7.7740 117.3898 59.0811 31.6564 179.2632 30 L 4.2054 7.4156 120.3759 58.0170 42.1636 178.8683 31 V 3.9368 7.6802 110.6587 62.1242 31.7605 177.2431 32 G 4.0080 7.4527 106.8878 44.9874 0.0000 173.1763 33 E 4.2664 7.8252 119.5600 55.6798 30.2838 177.0704 34 R 4.2276 8.4706 121.1007 56.3595 30.6049 175.7462 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 4.40 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 S 7.47 4.24 0.00 4.17 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 3 V 8.42 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 7.98 3.94 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 5 E 7.90 3.98 0.00 2.04 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 2.34 0.00 6 L 7.70 4.02 0.00 1.88 1.69 0.92 0.84 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 7 E 8.38 4.00 0.00 2.01 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 2.45 0.00 8 D 8.21 4.40 0.00 2.99 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 7.82 4.00 0.00 1.91 1.96 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 V 7.80 3.53 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 1.03 0.00 0.00 0.93 0.00 0.00 11 E 8.17 3.94 0.00 2.20 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 2.39 0.00 12 E 8.20 3.94 0.00 2.12 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 2.35 0.00 13 L 8.06 4.05 0.00 1.87 1.65 0.90 0.35 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 14 L 8.23 3.69 0.00 1.67 1.69 0.50 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.93 4.14 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.03 0.00 1.97 1.95 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 17 N 8.20 4.24 0.00 2.86 2.69 0.00 0.00 7.21 8.22 0.00 0.00 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 7.80 4.50 0.00 3.12 2.83 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 19 H 8.34 4.31 0.00 3.42 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.13 0.00 1.91 1.73 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.43 4.05 0.00 2.30 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 0.00 2.58 2.69 0.00 22 N 8.33 4.40 0.00 2.95 2.88 0.00 0.00 6.63 7.53 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 23 E 7.97 3.96 0.00 2.11 2.12 0.00 0.00 0.00 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 2.33 0.00 24 V 8.06 3.60 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 0.97 0.00 0.00 0.99 0.00 0.00 25 A 8.01 4.04 1.41 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 0.00 0.00 26 R 7.87 3.91 0.00 2.12 2.03 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 L 8.10 4.04 0.00 1.74 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.06 4.02 0.00 2.06 2.02 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.64 7.81 29 K 7.77 4.06 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.69 7.81 30 L 7.42 4.21 0.00 1.75 1.84 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.68 3.94 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 0.87 0.00 0.00 0.99 0.00 0.00 32 G 7.45 4.01 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 0.00 0.00 0.00 33 E 7.83 4.27 0.00 2.00 1.90 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 2.33 2.28 0.00 34 R 8.47 4.23 0.00 1.74 1.79 0.00 3.44 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 1.52 1.64 0.00