NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5465 8.2893 118.1971 55.5676 32.6333 173.4379 2 D 4.5837 8.5286 121.1489 50.7466 46.0268 175.3195 3 K 4.8799 7.8250 118.8365 57.9865 34.9884 179.5195 4 V 3.7238 7.7433 119.1910 63.4733 30.7844 178.1544 5 Q 3.9970 8.0619 119.2674 59.4990 28.9610 177.4179 6 Y 4.3201 8.1578 119.2571 58.9551 38.3931 177.3565 7 L 3.4018 6.5679 119.9460 57.7733 41.8289 179.3746 8 T 3.9560 7.5182 115.6825 66.4182 68.3091 176.6165 9 R 3.8781 7.5961 119.8402 59.4650 29.8400 178.0280 10 S 4.4394 7.9845 111.4489 59.5496 63.2513 175.8574 11 A 4.1148 7.9952 124.8708 54.2233 18.4026 178.4851 12 I 4.2519 7.4506 116.7625 62.7717 38.8221 178.2342 13 R 3.9609 7.7689 118.4195 59.3110 29.9983 178.4330 14 R 4.7570 7.2965 114.4674 56.0117 30.2950 176.9465 15 A 4.5827 7.7686 119.9134 53.5004 23.5138 178.6683 16 S 4.6098 8.9280 109.8541 58.9291 63.2556 174.7507 17 T 4.5607 7.4174 115.5204 62.8191 70.2243 174.2903 18 I 4.3052 7.8062 119.1393 60.8225 39.6449 175.5135 19 E 4.5067 7.5996 117.9978 57.0767 31.2377 176.0835 20 M 4.8932 7.4728 116.3547 52.5848 31.3694 174.4858 21 P 4.4619 0.0000 0.0000 66.5118 32.2784 177.9081 22 Q 4.1049 7.9557 117.2160 57.9554 28.9153 177.7892 23 Q 4.0185 7.9172 119.9261 58.9001 29.3543 177.3028 24 A 3.9477 8.2459 122.2301 55.3363 18.1269 179.4811 25 R 3.8260 7.3058 115.0624 59.7582 30.4646 178.5332 26 Q 4.4696 7.6306 117.9628 58.4734 28.7230 178.0292 27 N 4.2850 8.8363 118.5274 56.7004 38.9199 176.3928 28 L 4.0654 8.3728 121.9767 58.3521 41.8349 178.8520 29 Q 4.0484 8.1118 117.8705 59.1280 28.5822 178.6157 30 N 4.3790 8.5933 117.9266 56.1657 38.5888 177.0334 31 L 4.0675 8.2000 121.9965 57.7132 42.0164 178.9627 32 F 4.3520 8.2927 120.9491 61.4307 39.4124 177.1054 33 I 3.3810 7.8317 117.8102 63.7826 37.7057 177.1421 34 N 4.1792 8.2197 117.9363 56.6386 38.9085 176.5612 35 F 4.1981 8.0348 121.4717 61.5602 39.4874 176.5173 36 C 3.7279 8.0204 118.3106 62.1271 31.1691 175.2952 37 L 3.7008 7.8738 121.9973 58.2458 41.4979 178.9536 38 I 3.6657 7.8159 118.3960 63.4896 37.6272 177.4406 39 L 3.8753 7.8663 121.0461 57.2562 41.9938 177.9303 40 I 4.1119 7.9403 119.0533 62.8229 37.7290 177.7790 41 F 3.9722 8.7836 118.7928 59.4509 38.6629 177.6865 42 L 4.0944 7.5307 117.5603 58.2471 40.1796 178.5423 43 L 4.2099 7.4390 120.8509 57.3425 42.1896 178.5052 44 L 3.9069 7.6715 118.7812 57.6871 41.7603 179.2022 45 I 3.6763 7.7358 112.8319 63.9523 37.1805 177.4266 46 C 4.2100 7.8140 120.1276 61.7774 29.8183 175.3910 47 I 3.7094 7.8457 122.2674 64.2258 36.5831 178.2521 48 I 4.0904 7.6248 113.4564 63.7382 37.5551 178.2727 49 V 3.6043 7.2506 118.9237 65.6256 31.4872 176.4733 50 M 4.3856 8.0594 116.9724 55.8525 32.2087 176.4782 51 L 4.6102 7.3377 116.7650 55.0864 44.2723 176.5267 52 L 4.3553 8.2256 122.2983 54.8077 42.2001 176.1182 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 M 8.29 4.55 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 D 8.53 4.58 0.00 2.86 2.77 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 0.00 0.00 0.00 3 K 7.83 4.88 0.00 2.21 2.22 0.00 1.55 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.49 7.81 4 V 7.74 3.72 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Q 8.06 4.00 0.00 2.36 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 6 Y 8.16 4.32 0.00 3.23 3.22 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 7 L 6.57 3.40 0.00 1.37 1.48 0.78 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.52 3.96 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 1.18 0.00 0.00 9 R 7.60 3.88 0.00 2.03 2.16 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 10 S 7.98 4.44 0.00 4.12 4.09 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 0.00 0.00 0.00 0.00 11 A 8.00 4.11 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 12 I 7.45 4.25 1.86 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 1.62 0.90 0.90 0.00 0.00 13 R 7.77 3.96 0.00 1.96 1.97 0.00 3.27 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 1.71 1.71 0.00 14 R 7.30 4.76 0.00 1.99 1.93 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 15 A 7.77 4.58 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 16 S 8.93 4.61 0.00 3.95 3.90 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 17 T 7.42 4.56 4.49 0.00 0.00 0.00 0.00 0.00 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 18 I 7.81 4.31 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 0.73 0.93 0.00 0.00 19 E 7.60 4.51 0.00 2.10 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 2.26 2.36 0.00 20 M 7.47 4.89 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 21 P 0.00 4.46 0.00 2.28 2.54 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 22 Q 7.96 4.10 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 23 Q 7.92 4.02 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 24 A 8.25 3.95 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 25 R 7.31 3.83 0.00 2.04 1.97 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 26 Q 7.63 4.47 0.00 2.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 27 N 8.84 4.28 0.00 2.84 2.96 0.00 0.00 6.87 7.33 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 28 L 8.37 4.07 0.00 1.85 1.86 0.93 0.78 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 29 Q 8.11 4.05 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 30 N 8.59 4.38 0.00 2.82 2.89 0.00 0.00 6.56 6.40 0.00 0.00 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 8.20 4.07 0.00 1.78 1.85 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.29 4.35 0.00 3.19 3.32 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 33 I 7.83 3.38 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.94 0.00 0.00 34 N 8.22 4.18 0.00 2.93 2.85 0.00 0.00 6.77 7.04 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 35 F 8.03 4.20 0.00 3.19 3.12 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 0.00 0.00 0.00 36 C 8.02 3.73 0.00 2.47 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 37 L 7.87 3.70 0.00 1.62 1.60 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.82 3.67 1.81 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 1.42 1.04 0.93 0.00 0.00 39 L 7.87 3.88 0.00 0.45 1.32 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.94 4.11 2.12 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 1.46 0.82 0.78 0.00 0.00 41 F 8.78 3.97 0.00 3.19 3.14 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 0.00 0.00 0.00 42 L 7.53 4.09 0.00 1.82 1.94 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.44 4.21 0.00 1.86 1.76 0.90 0.52 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 44 L 7.67 3.91 0.00 1.68 1.55 0.32 0.62 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 45 I 7.74 3.68 1.89 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 1.59 0.80 1.02 0.00 0.00 46 C 7.81 4.21 0.00 2.97 3.13 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 0.00 0.00 0.00 0.00 47 I 7.85 3.71 1.98 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 1.82 0.90 0.88 0.00 0.00 48 I 7.62 4.09 1.86 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 1.59 1.18 0.89 0.00 0.00 49 V 7.25 3.60 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 0.77 0.00 0.00 0.99 0.00 0.00 50 M 8.06 4.39 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 51 L 7.34 4.61 0.00 1.64 1.65 0.92 0.84 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 52 L 8.23 4.36 0.00 1.66 1.50 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00