NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1144 8.3144 119.9965 57.4004 33.7853 170.8846 3 V 3.2048 8.6604 131.6494 61.4630 33.0426 170.5562 4 R 4.6259 8.8810 127.7797 53.6207 30.7575 172.3569 5 S 4.3945 7.2166 113.4981 57.9053 66.9944 174.7401 6 S 4.1795 8.6600 116.4103 59.7310 61.0158 174.0961 7 V 4.2928 7.9337 118.7289 59.6904 32.7003 175.6345 8 K 3.6955 8.1745 122.1026 55.6052 31.3131 175.3143 9 K 3.7032 8.6348 118.3643 59.7435 31.9520 174.4639 10 M 2.7244 8.4768 128.0402 55.5736 31.1569 173.0696 11 C 3.7717 8.5576 130.1142 59.1467 26.4896 173.6377 12 D 4.4900 8.8567 124.8869 57.0606 40.8647 177.3834 13 N 4.2955 8.1843 116.7323 56.0318 39.0626 173.6294 14 C 4.6488 8.2723 115.9273 58.3166 27.1165 173.5332 15 K 4.1635 8.2662 124.0427 56.4446 32.3092 178.2502 16 V 4.0191 8.2452 114.1651 61.3437 31.9777 173.3165 17 V 3.1317 7.7879 126.8188 62.0140 32.3472 171.0018 18 R 4.5086 8.5617 126.9150 54.7481 30.9878 174.1142 19 R 4.4819 8.5517 122.8957 56.0575 32.2118 175.8432 20 H 4.6737 10.3843 120.5043 55.5388 31.7129 174.0997 21 G 4.2677 6.9583 118.3677 45.3943 0.0000 171.3304 22 R 4.9710 7.3305 123.7357 55.0436 33.8319 174.7813 23 V 4.2956 8.0404 112.1180 61.7780 35.7861 175.6718 24 L 3.6266 7.1545 120.5649 54.3499 40.0882 173.9104 25 V 4.0991 7.2203 111.4487 61.8684 33.3258 172.2224 26 I 4.7196 8.2712 126.6423 61.8505 38.0824 176.1984 27 C 4.1460 7.7680 119.8585 59.1749 31.2782 175.1519 28 S 4.8426 8.3144 108.5267 56.4520 65.4564 173.2067 29 N 4.6234 8.3705 120.6823 53.7017 45.1916 175.7072 30 V 4.2709 8.5540 118.2350 61.6964 34.2595 171.7579 31 K 4.2192 8.4112 133.4333 56.7373 36.7495 174.6645 32 H 4.9272 8.0234 112.0997 53.9402 31.4247 173.3325 33 K 4.5106 8.3966 123.6402 54.6365 31.7675 175.0244 34 Q 4.3828 7.8465 121.0806 54.8825 30.2928 175.6220 35 R 4.3520 7.7576 116.2788 56.0897 32.6334 174.2509 36 Q 4.2296 8.7738 120.6384 56.2932 28.8769 175.3539 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 2 K 8.31 4.11 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 3 V 8.66 3.20 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 0.70 0.00 0.00 0.93 0.00 0.00 4 R 8.88 4.63 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 5 S 7.22 4.39 0.00 3.84 3.74 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 6 S 8.66 4.18 0.00 3.82 3.82 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 7 V 7.93 4.29 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 0.85 0.00 0.00 0.97 0.00 0.00 8 K 8.17 3.70 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.49 7.81 9 K 8.63 3.70 0.00 1.74 1.89 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 10 M 8.48 2.72 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 11 C 8.56 3.77 0.00 3.19 2.96 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 0.00 0.00 0.00 12 D 8.86 4.49 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.30 0.00 2.76 2.99 0.00 0.00 7.25 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 14 C 8.27 4.65 0.00 3.00 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 15 K 8.27 4.16 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 16 V 8.25 4.02 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 0.99 0.00 0.00 0.93 0.00 0.00 17 V 7.79 3.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 18 R 8.56 4.51 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 19 R 8.55 4.48 0.00 1.82 1.73 0.00 3.23 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 20 H 10.38 4.67 0.00 3.06 3.34 0.00 5.99 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 21 G 6.96 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.33 4.97 0.00 1.77 2.07 0.00 3.49 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 23 V 8.04 4.30 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 0.84 0.00 0.00 0.93 0.00 0.00 24 L 7.15 3.63 0.00 2.02 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.22 4.10 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 0.72 0.00 0.00 0.96 0.00 0.00 26 I 8.27 4.72 1.88 0.00 0.00 0.87 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 0.68 0.92 0.00 0.00 27 C 7.77 4.15 0.00 3.21 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 28 S 8.31 4.84 0.00 3.80 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 29 N 8.37 4.62 0.00 2.67 2.40 0.00 0.00 6.71 7.71 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 30 V 8.55 4.27 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 0.85 0.00 0.00 0.92 0.00 0.00 31 K 8.41 4.22 0.00 1.54 1.43 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.96 0.76 7.81 32 H 8.02 4.93 0.00 3.18 3.22 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 K 8.40 4.51 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.48 7.81 34 Q 7.85 4.38 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 35 R 7.76 4.35 0.00 1.70 1.73 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 36 Q 8.77 4.23 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00