NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3456 8.2993 120.1408 57.1596 33.7128 173.7267 2 S 4.4451 8.0895 111.9460 55.6284 65.2640 173.4345 3 P 4.3487 0.0000 0.0000 66.0695 31.7355 179.3894 4 E 3.9550 8.3593 117.3420 59.4997 29.3101 178.7734 5 E 4.0304 8.3724 118.3403 59.5743 29.6191 179.3335 6 L 4.3833 8.1577 118.5375 57.7289 41.7047 179.3907 7 K 4.3873 9.0203 120.3210 59.4460 32.1325 179.0951 8 G 3.6792 8.5118 106.4057 47.9513 0.0000 175.6751 9 I 3.7971 8.2940 123.1387 63.8984 37.1354 178.0712 10 F 3.6667 8.8273 121.8517 61.3171 39.1501 176.6195 11 E 3.8468 8.7930 119.0942 59.1025 29.1669 178.3365 12 K 3.6698 8.1171 118.8785 60.0654 32.3568 177.8286 13 Y 3.9710 7.7570 116.2234 60.7001 37.7444 177.5209 14 A 4.2759 7.9862 122.1505 54.5397 18.3936 179.2750 15 A 4.0541 8.1267 118.1253 54.5139 18.3659 179.7788 16 K 4.0384 8.0218 117.2611 58.1297 32.6246 176.9210 17 E 4.6525 8.3650 116.9154 55.7925 33.6072 175.0594 18 G 3.8094 9.0209 107.1747 46.7249 0.0000 170.0081 19 D 4.6466 8.2554 124.9544 52.3291 42.3255 172.5220 20 P 4.2677 0.0000 0.0000 64.9587 31.4784 176.5235 21 N 4.7448 9.0860 118.2469 55.1609 39.4198 174.0784 22 Q 5.3337 8.5193 116.8283 54.0939 33.0681 174.8278 23 L 4.8429 8.9893 123.0228 53.2410 43.1191 176.6095 24 S 4.5358 9.3713 121.3526 58.1967 63.7200 175.5632 25 K 3.2815 8.8237 123.2456 59.9898 31.2720 178.7144 26 E 3.8634 7.9750 118.4073 58.8827 29.4798 178.2928 27 E 3.8965 7.8942 119.2028 58.9682 29.9183 177.8767 28 L 3.8555 8.2638 120.8782 58.5643 41.9764 178.1848 29 K 3.7121 7.7617 118.5470 59.9450 31.9501 178.0991 30 L 3.9125 7.6585 118.1205 58.2216 41.7965 179.1296 31 L 2.0000 7.4549 119.6107 57.6007 41.7427 178.7589 32 L 4.2184 8.4142 118.7631 58.2642 41.5132 179.8472 33 Q 3.9980 8.0980 117.0754 59.0845 28.6747 178.7400 34 T 4.0841 7.6560 115.7299 66.5103 68.8115 176.5808 35 E 3.9292 8.0829 119.1774 57.7363 30.0380 177.4999 36 F 5.1235 8.1746 118.0614 55.7503 40.4571 175.5955 37 P 4.2957 0.0000 0.0000 66.2592 31.1837 177.0280 38 S 4.3246 8.0005 113.8001 60.9094 63.2854 176.1850 39 L 4.0388 8.0668 122.1657 57.2517 41.1387 179.2147 40 L 3.9481 8.1778 118.3014 55.5008 41.9076 177.1440 41 K 3.8437 8.1758 117.4483 55.5785 30.4534 174.4726 42 G 3.8648 7.4512 104.8273 48.1005 0.0000 171.9655 43 G 3.9280 7.7943 107.1552 45.9917 0.0000 171.8763 44 S 4.4810 8.0432 113.3625 56.2597 65.2764 175.6726 45 T 4.0085 8.0550 112.6833 61.2417 70.0190 174.1698 46 L 3.9005 8.6627 126.6572 58.7057 42.0231 178.6568 47 D 4.3401 8.1110 116.8261 57.5262 41.1802 177.6240 48 E 3.9686 8.2614 118.3291 59.6377 29.4459 178.9287 49 L 3.9464 8.3577 120.3677 58.3084 42.2349 178.6632 50 F 4.1464 8.9415 120.8046 61.4056 39.0959 177.1328 51 E 3.9119 8.8313 117.7544 59.2081 29.3615 178.4112 52 E 4.0462 8.3104 118.6294 59.4863 29.7674 178.6535 53 L 4.1341 7.8361 117.7083 56.9852 42.9517 178.6460 54 D 4.5461 7.7077 118.7992 53.3628 37.6850 175.4539 55 K 3.9743 7.8147 122.5618 58.9643 33.1929 177.7399 56 N 4.7102 8.5680 112.1608 53.1197 40.6102 172.8342 57 G 4.1818 9.4998 110.7168 45.9203 0.0000 173.6850 58 D 4.4749 8.5636 118.7859 52.6007 38.7777 175.5251 59 G 4.8132 8.0832 118.6574 47.7688 0.0000 173.2725 60 E 5.1715 7.1706 118.4606 54.6215 34.5868 175.1720 61 V 4.2177 9.4574 123.1283 62.2529 33.8696 174.3362 62 S 5.1917 8.4463 114.8668 56.0403 66.0210 174.9896 63 F 3.0932 7.0801 120.1004 61.3181 38.5403 176.6624 64 E 3.8224 8.1408 117.0195 59.7263 29.1335 178.3890 65 E 4.0538 7.6506 114.7868 59.0162 29.9732 178.3217 66 F 4.2412 8.5307 121.8370 61.0400 39.1702 176.8905 67 Q 3.3222 7.3602 117.0477 58.5882 28.2173 179.0314 68 V 3.3906 7.7980 119.8576 65.5846 31.4167 177.8165 69 L 3.6825 7.6596 120.2216 58.1607 41.7644 178.8610 70 V 3.0874 6.7855 116.1147 65.8336 31.2795 177.5243 71 K 3.9557 7.8959 119.2964 59.4628 32.0909 179.1118 72 K 4.0157 8.0794 118.7119 58.6855 31.6570 179.2714 73 I 4.0011 7.8135 114.8276 62.6266 37.2965 176.3611 74 S 4.6948 7.4164 114.3092 57.9433 63.4586 173.8810 75 Q 4.0046 8.1106 128.2250 57.2835 29.0942 174.1329 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 K 8.30 4.35 0.00 1.82 1.93 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 2 S 8.09 4.45 0.00 4.06 3.94 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 3 P 0.00 4.35 0.00 2.26 2.34 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 4 E 8.36 3.95 0.00 2.04 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 2.40 2.41 0.00 5 E 8.37 4.03 0.00 2.21 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 2.57 2.55 0.00 6 L 8.16 4.38 0.00 2.19 2.19 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.02 4.39 0.00 1.64 1.87 0.00 0.97 0.00 0.00 1.38 0.00 0.00 2.70 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.21 0.33 7.81 8 G 8.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 3.80 2.25 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 1.06 0.00 0.00 10 F 8.83 3.67 0.00 2.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.79 3.85 0.00 2.31 2.15 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 2.32 2.40 0.00 12 K 8.12 3.67 0.00 1.84 1.93 0.00 0.90 0.00 0.00 1.31 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.37 7.81 13 Y 7.76 3.97 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.28 0.96 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 0.00 0.00 15 A 8.13 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.04 0.00 1.93 1.92 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 E 8.36 4.65 0.00 1.84 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 2.23 2.24 0.00 18 G 9.02 3.81 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 0.00 0.00 0.00 19 D 8.26 4.65 0.00 2.90 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 20 P 0.00 4.27 0.00 2.26 2.19 0.00 3.83 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 2.03 1.99 0.00 21 N 9.09 4.74 0.00 2.88 3.02 0.00 0.00 6.90 6.73 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 22 Q 8.52 5.33 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 23 L 8.99 4.84 0.00 1.73 1.67 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.37 4.54 0.00 3.75 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 25 K 8.82 3.28 0.00 0.79 1.19 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.99 7.81 26 E 7.97 3.86 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 27 E 7.89 3.90 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 28 L 8.26 3.86 0.00 1.89 1.97 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.76 3.71 0.00 1.87 1.95 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 30 L 7.66 3.91 0.00 1.71 1.80 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.45 2.00 0.00 0.78 1.42 0.82 0.36 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 32 L 8.41 4.22 0.00 1.71 1.83 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.10 4.00 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 34 T 7.66 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 35 E 8.08 3.93 0.00 1.16 1.12 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 2.28 2.34 0.00 36 F 8.17 5.12 0.00 3.06 2.97 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 37 P 0.00 4.30 0.00 2.23 2.31 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 38 S 8.00 4.32 0.00 4.10 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.04 0.00 2.02 1.95 1.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.18 3.95 0.00 1.66 1.86 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.18 3.84 0.00 1.81 1.83 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.66 7.81 42 G 7.45 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.79 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.48 0.00 3.79 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 45 T 8.05 4.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 L 8.66 3.90 0.00 1.76 1.72 0.97 1.07 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 47 D 8.11 4.34 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.26 3.97 0.00 2.19 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 2.43 2.35 0.00 49 L 8.36 3.95 0.00 1.76 1.95 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.94 4.15 0.00 3.09 3.19 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 0.00 0.00 0.00 0.00 51 E 8.83 3.91 0.00 2.21 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 0.00 2.73 2.56 0.00 52 E 8.31 4.05 0.00 1.91 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 0.00 2.28 2.33 0.00 53 L 7.84 4.13 0.00 1.72 1.65 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.71 4.55 0.00 1.91 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.97 0.00 1.72 1.81 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.54 1.31 7.81 56 N 8.57 4.71 0.00 2.56 2.65 0.00 0.00 7.12 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.47 0.00 2.98 2.85 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 59 G 8.08 4.81 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 0.00 0.00 0.00 60 E 7.17 5.17 0.00 2.01 2.00 0.00 0.00 0.00 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 2.40 0.00 61 V 9.46 4.22 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 1.07 0.00 0.00 0.65 0.00 0.00 62 S 8.45 5.19 0.00 4.00 3.99 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 0.00 0.00 0.00 63 F 7.08 3.09 0.00 1.92 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 64 E 8.14 3.82 0.00 2.00 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 2.27 2.42 0.00 65 E 7.65 4.05 0.00 2.26 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 2.24 2.56 0.00 66 F 8.53 4.24 0.00 3.14 3.05 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 0.00 0.00 0.00 0.00 67 Q 7.36 3.32 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 5.11 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 68 V 7.80 3.39 2.04 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 0.94 0.00 0.00 0.85 0.00 0.00 69 L 7.66 3.68 0.00 1.63 1.16 0.46 1.10 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 70 V 6.79 3.09 1.77 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 0.67 0.00 0.00 0.10 0.00 0.00 71 K 7.90 3.96 0.00 1.78 1.82 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 72 K 8.08 4.02 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.51 7.81 73 I 7.81 4.00 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.37 0.40 0.00 0.00 74 S 7.42 4.69 0.00 3.91 3.95 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 0.00 0.00 0.00 75 Q 8.11 4.00 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00