NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.1030 8.3393 109.7552 45.0337 0.0000 173.7841 6 S 4.2336 8.2533 114.4205 56.8585 64.8542 172.7420 7 P 4.2408 0.0000 0.0000 65.8453 31.3973 179.6276 8 E 3.9646 8.3556 116.9285 59.7804 29.3065 179.4140 9 F 4.2501 8.2116 119.7655 61.4296 39.5535 176.9313 10 E 3.7159 8.6776 118.6595 59.4001 29.2022 179.3039 11 E 3.9231 8.4417 118.8389 59.5266 29.5077 179.4433 12 Q 3.9360 7.7135 118.0941 58.8300 28.8022 178.4501 13 E 3.7039 7.9227 119.6111 59.3660 29.3390 179.4189 14 A 3.9147 7.8660 120.4259 55.3015 18.4083 179.8040 15 I 3.6570 7.7257 118.3434 64.6777 37.0333 178.5162 16 M 4.0147 8.4009 120.0311 58.4141 31.7640 178.9192 17 K 4.1836 7.9166 119.7542 58.7811 32.0942 179.5896 18 V 3.5517 7.5594 118.5883 66.0981 31.5262 178.1609 19 L 3.9807 8.1279 118.8295 57.8232 41.2975 179.6292 20 Q 4.0063 8.4278 118.4850 58.9617 28.6524 178.8772 21 R 4.0155 8.0194 119.1811 59.2324 30.0030 178.5820 22 D 4.3073 8.4078 117.8322 57.2350 41.1758 178.1401 23 A 3.9625 8.1912 121.0828 55.1174 18.4011 179.4772 24 A 3.9208 8.0367 119.3056 55.1512 18.3672 179.6227 25 L 3.9056 7.9695 118.8660 58.2190 42.0915 179.2943 26 K 3.9483 8.3698 118.7713 59.5885 32.0141 179.5410 27 R 4.0487 8.2288 118.0941 59.1219 29.9913 178.9035 28 A 3.9781 8.0255 120.5595 55.1797 18.3538 179.2834 29 E 3.8851 8.4276 117.9794 59.5508 29.7534 178.8416 30 E 3.9651 8.4739 118.8962 59.4640 29.2709 179.0362 31 E 3.9861 8.1295 118.5274 58.9067 30.0753 178.5754 32 R 3.9791 8.0265 118.9846 59.4385 30.2782 178.6261 33 V 3.6369 7.9702 118.1069 66.1551 31.2668 177.9342 34 R 3.9850 7.9132 116.7433 59.5258 30.2262 177.8598 35 H 4.5994 8.1060 113.2408 56.2308 29.0005 177.3112 36 L 3.9969 7.7351 122.2864 57.5172 41.1854 177.3299 37 P 4.8381 0.0000 0.0000 64.9515 30.8991 178.2576 38 E 4.0468 7.9220 116.3366 58.4647 29.3480 177.7811 39 K 4.4258 7.3555 113.5631 56.5159 34.3898 176.4802 40 I 4.4991 8.2863 113.0065 59.0322 39.1462 175.8258 41 K 4.4745 8.5735 122.5158 55.7100 33.4417 176.0203 42 D 4.5270 7.9260 120.1204 53.5727 41.6512 176.0705 43 D 4.4484 8.7266 128.5867 56.4028 39.3550 178.2419 44 Q 3.9605 8.1321 120.8941 59.2133 29.1039 177.8628 45 Q 4.0261 8.1487 119.0913 58.7800 28.6507 178.6183 46 L 4.0211 7.9682 120.0653 57.9106 41.8472 179.6602 47 K 4.0694 8.3672 118.4890 59.5806 32.0824 179.1786 48 N 4.4943 8.2973 116.5928 56.8744 38.3775 177.5302 49 M 4.2099 8.2827 119.3188 58.2894 32.1348 178.6351 50 S 4.4005 8.5047 113.6078 59.3656 63.7779 175.4647 51 G 4.0566 8.2817 110.7145 45.7099 0.0000 174.9932 52 Q 4.2309 8.1356 120.9372 58.7885 28.9199 177.9593 53 W 4.4168 8.3424 117.6425 59.8242 27.6554 178.0568 54 F 3.2364 6.7809 119.9725 59.8060 38.5614 175.1505 55 Y 4.1982 7.2331 114.3269 56.7041 37.9637 175.4618 56 E 4.1885 7.8852 125.9267 57.0408 30.2592 174.3224 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 5 G 8.34 4.10 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 0.00 0.00 0.00 6 S 8.25 4.23 0.00 4.19 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.20 2.16 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 8 E 8.36 3.96 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 9 F 8.21 4.25 0.00 3.15 3.24 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 0.00 0.00 0.00 10 E 8.68 3.72 0.00 2.22 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 2.34 2.56 0.00 11 E 8.44 3.92 0.00 2.14 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 2.31 2.61 0.00 12 Q 7.71 3.94 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 13 E 7.92 3.70 0.00 1.86 1.78 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 1.75 1.47 0.00 14 A 7.87 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.66 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.89 0.00 0.00 16 M 8.40 4.01 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 17 K 7.92 4.18 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 18 V 7.56 3.55 2.22 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 1.10 0.00 0.00 0.98 0.00 0.00 19 L 8.13 3.98 0.00 1.86 1.70 0.91 1.06 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 20 Q 8.43 4.01 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 21 R 8.02 4.02 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 22 D 8.41 4.31 0.00 2.77 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 23 A 8.19 3.96 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 24 A 8.04 3.92 1.40 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 0.00 0.00 0.00 25 L 7.97 3.91 0.00 1.78 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.37 3.95 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 27 R 8.23 4.05 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 28 A 8.03 3.98 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 29 E 8.43 3.89 0.00 2.09 2.21 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 2.33 2.42 0.00 30 E 8.47 3.97 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 2.39 0.00 31 E 8.13 3.99 0.00 2.03 2.11 0.00 0.00 0.00 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 2.23 0.00 32 R 8.03 3.98 0.00 1.93 2.10 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 33 V 7.97 3.64 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 1.01 0.00 0.00 0.99 0.00 0.00 34 R 7.91 3.98 0.00 2.13 2.08 0.00 3.23 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 35 H 8.11 4.60 0.00 3.35 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.74 4.00 0.00 1.87 1.74 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.84 0.00 2.15 2.13 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 38 E 7.92 4.05 0.00 2.06 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 2.38 0.00 39 K 7.36 4.43 0.00 1.79 1.82 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.34 7.81 40 I 8.29 4.50 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 1.32 0.95 0.92 0.00 0.00 41 K 8.57 4.47 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.38 7.81 42 D 7.93 4.53 0.00 2.79 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 43 D 8.73 4.45 0.00 3.01 2.94 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 0.00 0.00 0.00 44 Q 8.13 3.96 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 45 Q 8.15 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 46 L 7.97 4.02 0.00 1.95 1.76 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.37 4.07 0.00 2.07 2.02 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.72 7.81 48 N 8.30 4.49 0.00 2.93 2.79 0.00 0.00 7.03 7.81 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 49 M 8.28 4.21 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 50 S 8.50 4.40 0.00 4.06 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 51 G 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.14 4.23 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 53 W 8.34 4.42 0.00 3.75 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 54 F 6.78 3.24 0.00 1.51 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 55 Y 7.23 4.20 0.00 2.94 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 56 E 7.89 4.19 0.00 2.13 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 2.25 2.18 0.00