NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4879 0.0000 0.0000 62.3851 33.7399 174.7923 2 I 4.8730 8.2329 121.6291 59.1271 40.0574 173.2367 3 A 4.7978 9.2842 129.7184 49.9563 22.3349 174.2301 4 Q 4.9601 8.6978 122.5712 54.2866 31.6578 174.4212 5 I 4.4532 9.0151 127.6225 59.8586 39.9073 174.2049 6 H 5.2471 8.8227 124.7990 54.3469 29.7840 174.5323 7 I 4.6255 8.4517 116.6999 58.5484 41.1419 175.0007 8 L 4.6313 8.3865 123.8640 54.5119 42.1737 176.9181 9 E 4.0716 8.7380 121.2536 57.0918 29.8515 175.8943 10 G 3.5247 8.7783 110.1591 45.6574 0.0000 174.6536 11 R 4.3766 7.6187 119.5074 55.3636 31.2954 176.8968 12 S 4.4582 8.4431 115.5533 58.0701 65.2799 175.2751 13 D 4.3702 8.5237 122.1035 57.3944 40.5276 178.7334 14 E 3.9230 8.0724 119.5308 59.3572 29.6816 178.7225 15 Q 4.0144 8.0207 117.9494 58.9529 28.7772 178.9426 16 K 3.9925 8.0953 119.5521 59.2494 32.0154 179.3788 17 E 3.9777 8.2872 119.1751 59.6108 29.3945 179.4772 18 T 3.8226 8.0020 115.7589 66.4165 68.4802 176.2160 19 L 3.9016 8.0509 122.4049 58.5149 42.0650 179.1044 20 I 3.6677 7.8020 119.4178 64.2935 37.0108 178.5270 21 R 3.8380 7.8996 119.3973 59.5159 29.9513 178.3367 22 E 3.9584 8.5736 118.7797 59.5319 29.5036 179.6385 23 V 3.5766 8.0024 118.2859 66.0258 31.5330 178.2831 24 S 4.1415 7.9397 114.5558 61.6326 62.5833 176.5568 25 E 3.9551 8.3264 121.0866 59.3147 29.2285 179.2294 26 A 3.9850 8.2980 121.1066 55.0969 18.5139 179.8865 27 I 3.6782 7.8612 118.3534 64.4993 37.2838 178.5157 28 S 4.1495 8.1463 114.0316 61.4701 62.3921 176.2491 29 R 3.9133 8.2983 121.6603 59.5069 29.6121 178.5853 30 S 4.2612 8.0445 114.0391 60.7617 62.9285 175.6952 31 L 4.5305 7.5413 117.4787 53.1798 42.6851 175.8376 32 D 4.3666 7.7143 116.3998 55.5772 38.7829 173.3763 33 A 4.7875 7.7006 119.9223 49.2881 21.7424 175.6803 34 P 4.3031 0.0000 0.0000 62.4500 32.1966 177.3725 35 L 3.9569 8.8160 124.9746 58.4717 42.0272 178.9124 36 T 4.0675 7.8394 106.8548 63.5097 68.8518 174.8583 37 S 4.3735 8.0897 116.2778 58.8300 63.7257 173.9743 38 V 4.2332 7.4544 122.7413 62.2839 32.0929 175.2345 39 R 4.7154 8.8087 126.8401 54.3014 33.1656 174.7926 40 V 4.8626 8.4695 122.9104 61.0593 34.5806 174.4336 41 I 4.5502 8.9339 128.0634 59.5786 40.1588 174.2810 42 I 4.7338 8.3955 127.6441 59.9168 39.1644 175.1546 43 T 4.5189 9.1092 123.5963 61.7614 71.2169 173.1790 44 E 4.8967 8.8353 126.2068 55.9172 31.1083 175.7819 45 M 4.8476 8.8110 122.5321 53.1867 35.1092 175.7466 46 A 4.6067 8.5634 125.6814 51.7722 19.3020 178.6149 47 K 3.9592 8.4020 120.8865 59.1498 32.2327 178.4155 48 G 4.0178 7.9799 105.4557 45.7310 0.0000 173.5190 49 H 4.9486 8.5078 115.2317 55.0002 29.8792 173.4715 50 F 5.0997 8.2447 122.7340 56.2374 41.3845 173.7792 51 G 4.1779 8.3472 116.2912 43.5502 0.0000 172.2545 52 I 4.1239 8.2795 122.3734 60.0289 39.8232 176.0295 53 G 3.6113 9.5261 113.7667 46.4747 0.0000 174.2256 54 G 3.9118 8.4655 106.5755 44.8832 0.0000 173.8132 55 E 4.6940 7.4867 119.0473 53.7365 32.3149 175.5663 56 L 4.2933 8.2656 121.6174 54.7186 42.5766 178.1322 57 A 3.9209 9.1697 127.3563 55.2537 18.5837 179.6617 58 S 4.2161 8.2595 109.4154 60.7170 62.7281 175.2172 59 K 4.6319 7.7948 119.2713 55.6863 32.8328 176.1855 60 V 3.9564 7.7997 124.9554 64.4044 31.6847 173.8272 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.59 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 2.00 2.12 0.00 2 I 8.23 4.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.28 4.80 1.19 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 0.00 0.00 4 Q 8.70 4.96 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 5 I 9.02 4.45 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 1.21 0.74 0.88 0.00 0.00 6 H 8.82 5.25 0.00 2.90 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.45 4.63 1.82 0.00 0.00 0.83 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 1.29 0.86 0.00 0.00 8 L 8.39 4.63 0.00 1.53 1.64 1.01 1.03 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 9 E 8.74 4.07 0.00 1.96 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 2.31 2.27 0.00 10 G 8.78 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 0.00 0.00 0.00 11 R 7.62 4.38 0.00 1.78 1.86 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 12 S 8.44 4.46 0.00 4.08 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 13 D 8.52 4.37 0.00 2.78 2.75 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 14 E 8.07 3.92 0.00 2.03 1.93 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 2.37 2.39 0.00 15 Q 8.02 4.01 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.10 3.99 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 17 E 8.29 3.98 0.00 2.27 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 2.32 2.34 0.00 18 T 8.00 3.82 4.39 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 1.21 0.00 0.00 19 L 8.05 3.90 0.00 1.82 1.87 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.80 3.67 2.01 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 1.39 1.02 0.90 0.00 0.00 21 R 7.90 3.84 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.57 3.96 0.00 1.96 1.98 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 2.46 2.46 0.00 23 V 8.00 3.58 2.19 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 1.02 0.00 0.00 0.96 0.00 0.00 24 S 7.94 4.14 0.00 4.09 3.89 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 25 E 8.33 3.96 0.00 2.20 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 2.32 0.00 26 A 8.30 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.68 2.01 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 1.40 1.21 0.91 0.00 0.00 28 S 8.15 4.15 0.00 3.89 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 29 R 8.30 3.91 0.00 1.90 2.06 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.04 4.26 0.00 4.17 3.91 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 31 L 7.54 4.53 0.00 1.62 1.66 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.71 4.37 0.00 2.91 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 33 A 7.70 4.79 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 35 L 8.82 3.96 0.00 1.71 1.68 0.92 0.76 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 36 T 7.84 4.07 4.24 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 1.21 0.00 0.00 37 S 8.09 4.37 0.00 3.97 4.01 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 0.00 0.00 0.00 0.00 38 V 7.45 4.23 2.18 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 0.76 0.00 0.00 0.93 0.00 0.00 39 R 8.81 4.72 0.00 1.77 1.77 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.47 4.86 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.93 4.55 1.84 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 1.21 0.66 0.87 0.00 0.00 42 I 8.40 4.73 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 9.11 4.52 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 1.21 0.00 0.00 44 E 8.84 4.90 0.00 1.84 1.85 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 2.26 2.31 0.00 45 M 8.81 4.85 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 46 A 8.56 4.61 1.10 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 47 K 8.40 3.96 0.00 1.74 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.44 7.81 48 G 7.98 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.51 4.95 0.00 3.28 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.24 5.10 0.00 2.99 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 51 G 8.35 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 52 I 8.28 4.12 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.32 0.82 0.00 0.00 53 G 9.53 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.91 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 0.00 0.00 0.00 55 E 7.49 4.69 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 56 L 8.27 4.29 0.00 1.69 1.59 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.17 3.92 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.26 4.22 0.00 4.00 4.07 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 0.00 0.00 0.00 59 K 7.79 4.63 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.32 7.81 60 V 7.80 3.96 2.19 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 0.68 0.00 0.00 0.90 0.00 0.00