NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.2775 8.2644 123.5816 52.1869 19.9334 175.8558 12 L 4.2478 7.8407 123.0451 54.1968 44.5445 172.9779 13 D 4.3712 9.2232 124.4254 57.9738 41.7468 178.0384 14 S 4.4306 7.9093 112.8850 58.1454 62.6162 178.6478 15 L 4.0047 7.9040 123.0606 55.8117 42.2014 175.8736 16 A 4.5283 8.4995 129.0944 50.6052 19.8013 175.8320 17 L 4.5225 8.2843 123.3179 53.4958 43.0811 176.2213 18 D 4.6073 8.7192 124.0807 53.8777 41.0364 175.5850 19 L 5.2292 8.3628 124.0291 53.0587 44.9127 175.9497 20 T 4.7281 8.8084 110.9322 59.9479 72.6052 172.7202 21 L 4.9582 8.4342 122.7861 53.5552 43.1388 175.9865 22 R 4.4636 9.1780 126.6249 54.5756 31.3939 176.4355 23 C 5.1209 9.8627 123.4595 55.5053 30.2917 173.1038 24 G 4.3780 7.1640 106.7409 45.0349 0.0000 173.0045 25 E 4.7591 8.0012 120.2893 54.3619 33.3635 175.0302 26 L 4.6240 8.1767 120.8211 54.4930 43.4485 174.6388 27 R 4.6043 8.4015 119.2966 54.4327 31.9577 174.9935 28 L 4.9937 8.1814 124.1652 52.2636 45.5733 176.9918 29 T 4.1691 8.4138 112.5752 61.2966 70.8326 175.6036 30 L 3.9223 8.3879 122.5909 58.0799 41.8927 178.7402 31 A 3.9723 7.9301 119.3967 55.2905 18.5498 178.8327 32 E 4.0518 8.1127 116.9653 59.6541 29.3781 179.5120 33 L 3.9785 8.0758 120.1997 58.2218 41.9252 179.1853 34 R 4.0467 8.3297 117.5525 58.7724 30.0668 178.3053 35 R 4.3186 7.4006 115.1299 55.4216 30.8794 176.8542 36 L 4.1267 7.0597 118.7469 54.8146 42.4792 176.1950 37 D 4.9854 7.9713 120.2678 51.7194 43.7470 175.6198 38 A 4.0867 8.4325 124.3533 54.3704 18.6427 178.0934 39 G 4.0253 8.9936 110.5807 45.3831 0.0000 174.0805 40 T 4.2536 7.2214 108.6221 61.0938 69.7944 173.9457 41 I 4.4374 8.0779 123.2760 59.5288 39.3176 175.1026 42 L 4.5370 8.3519 125.0449 53.1370 43.0107 175.5770 43 E 4.3752 8.5691 124.2291 55.1480 30.6038 176.1703 44 V 4.2604 7.9462 125.4273 60.8193 31.6841 174.9585 45 T 4.0827 7.9367 115.0593 61.6758 69.7024 175.6594 46 G 3.9594 9.6484 109.7283 45.2691 0.0000 173.1231 47 I 4.5493 7.0405 117.8160 58.7054 41.3465 174.3941 48 S 4.2439 8.5450 121.8755 57.1455 62.8290 171.5874 49 P 4.5017 0.0000 0.0000 64.3468 31.6384 176.2128 50 G 4.0315 8.9863 111.0602 45.4339 0.0000 172.8193 51 H 4.9013 7.8005 118.9272 56.3455 30.6325 174.6141 52 A 5.0213 8.6793 125.2976 50.6084 23.1297 174.9056 53 T 4.8030 9.0386 111.2426 59.9172 71.7547 173.2163 54 L 4.9156 8.7871 127.0928 54.3708 43.6007 174.9740 55 C 5.3788 9.3721 123.8819 58.1895 32.3995 172.5844 56 H 4.8151 9.1723 123.0481 54.3249 31.1986 175.8658 57 G 3.7334 8.7335 117.4578 47.0660 0.0000 172.8116 58 E 4.4771 9.1918 122.1774 55.4138 29.8534 174.0365 59 Q 4.5538 8.0398 117.7182 53.9686 30.2723 175.1248 60 V 4.1556 8.3617 123.2609 62.9701 32.3641 175.6418 61 V 4.4203 8.7433 119.6698 61.9729 34.2414 175.1854 62 A 4.9909 7.6293 119.9464 51.0771 22.6368 174.7806 63 E 4.9800 9.0174 118.5977 55.1323 33.8336 176.0579 64 G 4.5333 8.2548 107.3438 45.6725 0.0000 171.4750 65 E 5.1816 8.5818 118.9841 54.1921 32.4941 176.0332 66 L 4.6112 9.1096 124.9743 54.9101 42.3418 176.9862 67 V 4.5063 9.0106 117.2365 59.4615 35.6791 174.1824 68 D 5.0732 8.6599 123.4998 52.9927 42.2995 176.0063 69 V 4.1402 8.9155 127.1798 61.5629 32.1834 175.0254 70 E 3.8174 9.8685 129.3822 57.2738 26.9215 176.3579 71 G 3.9909 8.6695 107.0265 45.1385 0.0000 174.2293 72 R 4.5781 7.7247 119.2262 54.0303 32.0267 175.1454 73 L 4.5827 8.4107 124.2073 55.1329 42.9075 176.0549 74 G 4.2966 9.4939 112.5841 44.2848 0.0000 171.0675 75 L 5.1585 8.3689 121.9070 53.0068 44.1917 175.5579 76 Q 4.3043 9.0212 129.8389 55.1858 30.0645 174.9783 77 I 4.2744 8.4505 128.6702 61.9325 37.2759 175.6909 78 T 4.4399 9.0563 117.2372 62.6835 71.3705 174.7382 79 R 4.6406 7.5956 121.7367 54.1375 33.5048 173.8200 80 L 4.5564 8.6691 128.3642 54.5456 43.4149 176.4118 81 V 4.0427 8.2382 124.2878 63.0154 31.1225 175.3084 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 11 A 8.26 4.28 1.27 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 0.00 0.00 0.00 12 L 7.84 4.25 0.00 1.76 1.46 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.22 4.37 0.00 2.70 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 14 S 7.91 4.43 0.00 3.63 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 15 L 7.90 4.00 0.00 1.69 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.50 4.53 1.25 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 0.00 0.00 0.00 17 L 8.28 4.52 0.00 1.64 1.62 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.72 4.61 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 5.23 0.00 1.50 1.64 0.93 0.96 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 20 T 8.81 4.73 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 1.20 0.00 0.00 21 L 8.43 4.96 0.00 1.52 1.65 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.18 4.46 0.00 1.83 1.81 0.00 3.03 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 23 C 9.86 5.12 0.00 3.08 2.95 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 24 G 7.16 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.76 0.00 1.90 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 0.00 2.20 2.27 0.00 26 L 8.18 4.62 0.00 1.69 1.59 0.92 0.54 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 27 R 8.40 4.60 0.00 1.75 1.83 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 28 L 8.18 4.99 0.00 1.61 1.50 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.41 4.17 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 30 L 8.39 3.92 0.00 1.82 1.70 0.92 1.06 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 31 A 7.93 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.05 0.00 2.23 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 2.33 2.32 0.00 33 L 8.08 3.98 0.00 1.76 1.80 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.33 4.05 0.00 2.03 1.98 0.00 3.20 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 35 R 7.40 4.32 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 36 L 7.06 4.13 0.00 1.68 1.61 0.92 0.94 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 37 D 7.97 4.99 0.00 2.64 2.52 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 38 A 8.43 4.09 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 G 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.22 4.25 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 1.26 0.00 0.00 41 I 8.08 4.44 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 0.65 0.91 0.00 0.00 42 L 8.35 4.54 0.00 1.62 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.57 4.38 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 44 V 7.95 4.26 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 0.92 0.00 0.00 0.98 0.00 0.00 45 T 7.94 4.08 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 46 G 9.65 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 0.00 0.00 0.00 47 I 7.04 4.55 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 1.33 0.97 0.95 0.00 0.00 48 S 8.54 4.24 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.08 1.99 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 50 G 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.80 4.90 0.00 3.22 3.30 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.68 5.02 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 53 T 9.04 4.80 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 1.25 0.00 0.00 54 L 8.79 4.92 0.00 1.74 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 C 9.37 5.38 0.00 2.82 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 56 H 9.17 4.82 0.00 3.18 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.73 3.73 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 0.00 0.00 0.00 58 E 9.19 4.48 0.00 1.89 1.92 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 2.20 2.36 0.00 59 Q 8.04 4.55 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 60 V 8.36 4.16 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 0.83 0.00 0.00 0.94 0.00 0.00 61 V 8.74 4.42 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 0.75 0.00 0.00 0.99 0.00 0.00 62 A 7.63 4.99 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.02 4.98 0.00 1.86 1.84 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 2.29 2.25 0.00 64 G 8.25 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.58 5.18 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 66 L 9.11 4.61 0.00 1.49 1.61 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 V 9.01 4.51 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 0.67 0.00 0.00 0.95 0.00 0.00 68 D 8.66 5.07 0.00 2.68 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 69 V 8.92 4.14 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 1.03 0.00 0.00 0.93 0.00 0.00 70 E 9.87 3.82 0.00 2.12 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 2.22 2.28 0.00 71 G 8.67 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 0.00 0.00 0.00 72 R 7.72 4.58 0.00 1.94 1.83 0.00 3.12 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 73 L 8.41 4.58 0.00 1.63 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.49 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 5.16 0.00 1.59 1.54 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.02 4.30 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 77 I 8.45 4.27 1.87 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 0.92 0.91 0.00 0.00 78 T 9.06 4.44 4.26 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 0.00 0.00 0.00 1.28 0.00 0.00 79 R 7.60 4.64 0.00 1.86 1.76 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 80 L 8.67 4.56 0.00 1.96 1.54 0.92 0.94 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 81 V 8.24 4.04 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 0.78 0.00 0.00 0.94 0.00 0.00