NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8452 8.3549 109.7367 46.0256 0.0000 173.3582 4 I 3.4221 8.1526 129.2067 61.3448 36.5605 172.8372 5 R 4.5533 8.3453 119.2704 54.6219 32.4141 175.4457 6 E 4.4510 8.1111 119.8846 55.7616 31.3855 175.6915 7 K 4.5582 8.4732 121.2399 55.9306 33.3652 176.4026 8 I 4.7038 8.6055 124.9651 59.3892 40.8243 175.1678 9 K 5.3640 8.3735 123.0055 53.7453 34.4327 175.2658 10 L 4.8726 8.5938 126.6771 54.6990 42.7677 176.9040 11 V 4.3791 8.6084 124.9603 62.2954 33.0353 175.3719 12 S 2.8182 8.4611 121.1880 57.5642 62.7378 174.3197 13 S 4.1044 7.9630 120.6185 59.1780 63.4659 173.6128 14 A 4.4981 7.1916 125.4096 50.1913 20.5875 177.9365 15 G 3.7419 8.4324 107.8766 47.6179 0.0000 174.4021 16 T 3.9685 7.3698 111.8074 61.4146 69.1243 174.9707 17 G 3.7469 8.8067 115.0900 48.4460 0.0000 173.5065 18 H 4.0185 8.2641 118.3208 56.5848 30.2401 173.8446 19 F 5.2760 6.9959 118.2248 55.6946 40.9274 171.3614 20 Y 4.9309 8.5566 120.6805 57.1772 42.7307 174.5406 21 T 4.9839 7.9153 112.4208 61.8909 70.4640 172.5640 22 T 4.5993 8.9593 123.4378 61.9540 71.2180 171.3552 23 T 4.9153 8.1092 111.1358 60.0302 71.1002 174.1650 24 K 4.2325 7.7843 121.0444 56.2769 37.0288 172.9222 25 N 4.7062 8.2493 126.3294 51.9523 39.7816 174.5641 26 K 3.8619 8.4473 127.3987 59.8594 32.7412 177.7122 27 R 4.0969 8.0471 118.1396 59.5079 30.4787 178.3268 28 T 3.9413 8.6774 107.5129 64.1905 68.6105 174.7290 29 K 4.3730 7.7865 123.1596 54.3278 34.7485 174.2768 30 P 4.3898 0.0000 0.0000 65.1075 31.6495 177.7237 31 E 4.0506 7.9948 115.0145 55.9859 29.8998 176.7540 32 K 4.1576 8.5405 121.3954 56.8962 33.2529 176.1855 33 L 4.6673 8.4460 121.8106 53.4381 43.0872 175.7094 34 E 4.9733 8.4358 123.7889 54.2177 31.8668 176.3088 35 L 4.1991 8.5463 120.7858 55.1276 41.8933 173.2666 36 K 3.8527 8.6381 120.9743 57.4935 29.4564 174.6097 37 K 4.4672 8.3410 122.1179 53.8240 34.9243 176.7614 38 F 4.0515 8.7163 126.0599 58.8125 39.8337 173.3146 39 D 4.6504 6.0500 119.9233 51.6924 41.4680 174.6796 40 P 4.3542 0.0000 0.0000 64.6598 31.6815 177.6667 41 V 3.9605 7.5500 116.0381 63.2457 32.0059 176.1509 42 V 4.0253 7.5311 117.3311 61.9085 32.8791 176.5289 43 R 3.9379 7.5182 116.2080 56.7149 28.2422 175.4280 44 Q 4.5267 7.0351 116.0837 54.1031 32.0890 174.8871 45 H 4.2606 8.5318 120.9148 56.2263 27.6669 175.7252 46 V 4.0781 7.9459 124.7237 60.7429 34.1245 175.5972 47 I 4.5457 8.0023 122.4387 59.9805 36.2804 174.4448 48 Y 4.2026 8.3582 124.7322 57.8306 39.3947 175.0766 49 K 4.7772 8.2774 122.2348 56.1149 37.0614 170.3951 50 E 4.0500 9.6732 127.4821 56.1490 31.0298 175.2933 51 A 4.8936 8.3994 128.9384 50.9603 19.7137 175.9428 52 K 4.2220 8.2235 125.3363 56.5797 31.5034 177.3153 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 3 G 8.35 3.85 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 0.00 0.00 0.00 4 I 8.15 3.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 5 R 8.35 4.55 0.00 1.79 1.85 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 6 E 8.11 4.45 0.00 1.98 1.86 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 2.31 2.29 0.00 7 K 8.47 4.56 0.00 1.64 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 I 8.61 4.70 2.02 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 1.31 1.02 0.97 0.00 0.00 9 K 8.37 5.36 0.00 1.74 1.89 0.00 0.99 0.00 0.00 2.26 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.27 7.81 10 L 8.59 4.87 0.00 1.81 1.92 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.61 4.38 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 0.91 0.00 0.00 1.06 0.00 0.00 12 S 8.46 2.82 0.00 3.67 3.71 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 13 S 7.96 4.10 0.00 3.92 3.96 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 14 A 7.19 4.50 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 16 T 7.37 3.97 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 1.23 0.00 0.00 17 G 8.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.02 0.00 3.10 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.00 5.28 0.00 3.25 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 20 Y 8.56 4.93 0.00 3.04 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 21 T 7.92 4.98 4.33 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 1.09 0.00 0.00 22 T 8.96 4.60 4.28 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 1.27 0.00 0.00 23 T 8.11 4.92 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 1.21 0.00 0.00 24 K 7.78 4.23 0.00 1.89 1.67 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.22 7.81 25 N 8.25 4.71 0.00 2.76 2.66 0.00 0.00 6.82 6.01 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 26 K 8.45 3.86 0.00 1.97 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.54 7.81 27 R 8.05 4.10 0.00 1.97 1.99 0.00 3.28 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 T 8.68 3.94 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 1.26 0.00 0.00 29 K 7.79 4.37 0.00 1.75 1.96 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.39 0.00 2.04 2.10 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 31 E 7.99 4.05 0.00 2.08 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 2.29 2.29 0.00 32 K 8.54 4.16 0.00 1.68 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.49 7.81 33 L 8.45 4.67 0.00 1.52 1.64 0.96 0.90 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 34 E 8.44 4.97 0.00 1.83 1.86 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 2.23 2.36 0.00 35 L 8.55 4.20 0.00 1.70 1.69 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.64 3.85 0.00 1.93 1.94 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 K 8.34 4.47 0.00 0.92 0.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.17 0.84 7.81 38 F 8.72 4.05 0.00 2.56 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 6.05 4.65 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.35 0.00 2.02 2.17 0.00 3.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 41 V 7.55 3.96 2.05 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 0.76 0.00 0.00 0.92 0.00 0.00 42 V 7.53 4.03 2.13 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 0.91 0.00 0.00 0.86 0.00 0.00 43 R 7.52 3.94 0.00 1.95 2.08 0.00 3.17 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 44 Q 7.04 4.53 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 45 H 8.53 4.26 0.00 3.20 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.95 4.08 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 0.84 0.00 0.00 0.82 0.00 0.00 47 I 8.00 4.55 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.92 0.00 0.00 48 Y 8.36 4.20 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.78 0.00 1.81 1.90 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 50 E 9.67 4.05 0.00 2.18 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 2.27 2.24 0.00 51 A 8.40 4.89 1.28 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 0.00 0.00 52 K 8.22 4.22 0.00 1.85 2.13 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.39 7.81