NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7706 8.2827 118.3605 52.7756 39.5115 173.2249 5 T 4.8315 7.8273 114.7693 58.9118 69.1829 171.4374 6 I 4.7414 9.3536 127.1706 59.2396 42.5069 173.1506 7 R 5.0776 8.6245 127.6589 55.2209 31.2108 175.6092 8 V 4.7358 8.7541 118.3769 59.7024 36.8429 174.2737 9 I 4.8535 8.7051 123.0141 59.7006 39.9025 174.8718 10 V 4.6674 8.7297 127.9465 61.1449 33.5586 174.7470 11 S 4.8142 8.8781 125.1584 58.4243 63.7746 174.0099 12 V 4.8706 8.3275 117.7489 59.5606 34.8406 175.2022 13 D 4.6770 8.7498 122.7200 52.7969 41.1402 177.0964 14 K 4.0365 8.9665 128.2318 59.1553 32.3957 177.7118 15 A 4.2259 8.3262 120.5608 53.9305 18.3324 177.8673 16 K 4.6223 8.4109 113.0617 55.7062 33.7221 175.6134 17 F 4.9896 8.0969 121.0835 56.3003 41.3466 174.2051 18 N 4.2634 7.8407 124.9089 49.8856 42.1850 173.4908 19 P 3.7621 0.0000 0.0000 66.0423 29.5429 177.8489 20 H 4.2470 8.7460 115.3085 57.5320 28.0019 177.0583 21 E 4.1028 7.9329 121.4813 58.7587 29.2548 179.1309 22 V 3.7983 7.4722 118.5069 65.8527 31.5475 177.5750 23 L 4.4945 6.9820 120.2904 57.5337 41.5991 179.2285 24 G 3.7775 7.7038 106.3091 48.1780 0.0000 174.0021 25 I 4.1407 7.7221 110.7675 60.7172 37.7800 176.3806 26 G 3.9531 8.8538 109.7178 45.4616 0.0000 173.3661 27 G 4.2276 7.8943 108.7103 43.7520 0.0000 171.7098 28 H 5.1194 8.4769 113.0896 53.8262 32.2981 172.8604 29 I 4.3498 8.4088 120.4893 61.5852 37.4325 175.5943 30 V 4.2065 8.9039 126.4599 64.5924 33.0981 175.6672 31 Y 4.5180 7.5800 119.5200 56.5983 42.2145 172.8211 32 Q 4.7433 7.8241 125.8514 54.0603 30.0556 175.6183 33 F 4.4960 8.6704 123.5685 57.7476 39.1152 176.0497 34 K 4.2682 9.0456 120.9333 57.7578 32.5971 177.7033 35 L 4.6679 8.0931 116.0448 54.3329 43.0680 175.9993 36 I 4.7087 7.3689 110.8312 58.2056 40.9764 174.0399 37 P 4.7571 0.0000 0.0000 61.6953 29.7189 174.4091 38 A 5.1906 7.7475 127.0645 51.5538 23.5762 175.4616 39 V 4.8904 8.7263 118.4360 61.2810 35.7186 174.3197 40 V 4.6086 9.0865 127.7324 62.3182 33.0388 175.1516 41 V 4.9539 8.8616 120.0051 59.8923 36.6158 173.7708 42 D 5.3338 8.7933 123.8678 53.1642 42.6077 176.1529 43 V 4.8819 8.8422 115.8483 58.7000 36.7279 173.1952 44 P 4.8249 0.0000 0.0000 62.7280 31.7906 177.8024 45 A 4.0072 8.9527 127.0343 54.9835 18.4950 178.2009 46 N 4.7246 8.1864 111.1226 53.2048 37.6674 175.7784 47 A 4.6224 8.1129 119.7438 52.2357 19.4569 179.2563 48 V 3.5698 7.6547 119.2124 66.3431 31.5291 178.1687 49 G 3.6529 8.0244 103.5791 47.6875 0.0000 175.0473 50 K 4.0913 7.9076 121.3408 59.2871 32.2843 178.7533 51 L 3.8742 7.9773 119.2868 57.7813 41.2898 179.7220 52 K 3.8245 7.7401 117.3167 58.6448 32.0007 178.4931 53 K 4.2639 7.2953 115.8121 55.5800 32.8450 176.5905 54 M 4.1716 7.3972 121.3682 53.9898 32.6286 175.5510 55 P 4.1845 0.0000 0.0000 65.4486 31.8297 177.3824 56 W 4.4798 7.9325 112.6220 57.0715 28.6848 175.0767 57 V 4.1577 7.0257 120.7787 62.1033 30.9701 175.1796 58 E 4.3849 8.9605 128.1489 58.0783 30.8769 176.7070 59 K 4.4563 7.5373 117.9867 55.1600 35.7805 174.4498 60 V 4.7283 8.2750 125.9733 61.0751 33.9900 174.3235 61 E 4.6406 8.7945 126.4558 54.1966 33.0584 175.7713 62 F 4.5271 8.4734 121.9997 57.4562 40.2910 174.6831 63 D 4.5263 8.6572 120.4544 53.5559 40.6266 175.9289 64 H 4.7691 8.4383 123.9758 54.9676 30.1739 174.3409 65 Q 4.6070 8.4551 120.9485 54.2755 30.8414 174.3703 66 A 4.8940 8.3783 126.4523 50.4307 21.8625 175.8342 67 V 4.5824 7.8528 111.9750 58.7020 35.5686 175.9565 68 L 4.0820 8.4512 122.0161 56.3013 40.7214 177.2808 69 L 4.3037 8.3393 119.2213 55.0263 41.9357 176.4166 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 4 N 8.28 4.77 0.00 2.80 3.15 0.00 0.00 5.67 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.83 4.83 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 1.24 0.00 0.00 6 I 9.35 4.74 1.94 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.68 1.02 0.00 0.00 7 R 8.62 5.08 0.00 1.99 1.84 0.00 3.25 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 8 V 8.75 4.74 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 0.58 0.00 0.00 0.90 0.00 0.00 9 I 8.71 4.85 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 1.04 0.00 0.00 10 V 8.73 4.67 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 0.97 0.00 0.00 0.95 0.00 0.00 11 S 8.88 4.81 0.00 3.77 3.72 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 0.00 0.00 0.00 0.00 12 V 8.33 4.87 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 0.29 0.00 0.00 0.72 0.00 0.00 13 D 8.75 4.68 0.00 3.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 4.04 0.00 1.80 1.89 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 15 A 8.33 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.62 0.00 1.91 2.00 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 17 F 8.10 4.99 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.26 0.00 2.40 2.20 0.00 0.00 6.83 8.10 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 19 P 0.00 3.76 0.00 2.07 2.33 0.00 3.34 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 20 H 8.75 4.25 0.00 3.07 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.93 4.10 0.00 1.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 22 V 7.47 3.80 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 1.11 0.00 0.00 1.06 0.00 0.00 23 L 6.98 4.49 0.00 1.76 1.67 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.70 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.72 4.14 1.94 0.00 0.00 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 1.41 0.87 1.03 0.00 0.00 26 G 8.85 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 0.00 0.00 0.00 27 G 7.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.48 5.12 0.00 3.16 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.41 4.35 1.88 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 1.30 0.57 0.92 0.00 0.00 30 V 8.90 4.21 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 0.75 0.00 0.00 0.97 0.00 0.00 31 Y 7.58 4.52 0.00 2.92 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.82 4.74 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 33 F 8.67 4.50 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.05 4.27 0.00 1.83 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.46 7.81 35 L 8.09 4.67 0.00 1.67 1.72 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.37 4.71 1.73 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.80 0.00 0.00 37 P 0.00 4.76 0.00 2.30 2.26 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 38 A 7.75 5.19 1.24 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 0.00 0.00 39 V 8.73 4.89 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 1.17 0.00 0.00 0.90 0.00 0.00 40 V 9.09 4.61 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 0.75 0.00 0.00 0.98 0.00 0.00 41 V 8.86 4.95 2.20 0.00 0.00 0.00 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 1.04 0.00 0.00 42 D 8.79 5.33 0.00 2.13 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 4.88 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 0.85 0.00 0.00 0.95 0.00 0.00 44 P 0.00 4.82 0.00 2.10 1.99 0.00 3.63 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 2.14 2.13 0.00 45 A 8.95 4.01 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 46 N 8.19 4.72 0.00 2.84 2.94 0.00 0.00 5.84 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.11 4.62 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.57 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 0.92 0.00 0.00 1.03 0.00 0.00 49 G 8.02 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.91 4.09 0.00 1.83 2.00 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 51 L 7.98 3.87 0.00 1.86 1.54 0.89 0.95 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 52 K 7.74 3.82 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 53 K 7.30 4.26 0.00 1.80 1.79 0.00 1.47 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.47 7.81 54 M 7.40 4.17 0.00 1.31 1.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 55 P 0.00 4.18 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 56 W 7.93 4.48 0.00 3.78 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 57 V 7.03 4.16 1.80 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 0.56 0.00 0.00 -0.20 0.00 0.00 58 E 8.96 4.38 0.00 2.01 1.94 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 2.35 2.38 0.00 59 K 7.54 4.46 0.00 1.74 1.53 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.36 7.81 60 V 8.28 4.73 1.88 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 0.65 0.00 0.00 0.77 0.00 0.00 61 E 8.79 4.64 0.00 1.87 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 0.00 2.16 2.19 0.00 62 F 8.47 4.53 0.00 2.84 2.90 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 0.00 0.00 0.00 63 D 8.66 4.53 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.77 0.00 3.21 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.46 4.61 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 66 A 8.38 4.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.58 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 0.80 0.00 0.00 0.93 0.00 0.00 68 L 8.45 4.08 0.00 1.73 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.34 4.30 0.00 1.63 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00