NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3487 8.2649 123.5874 52.1834 19.2351 175.0771 3 R 4.3361 7.6649 120.5070 53.5036 32.3229 175.8334 4 K 3.8049 9.3029 124.3815 59.8533 33.2217 178.3016 5 A 3.9876 8.2447 119.3516 55.5665 18.1154 178.3472 6 L 4.3539 8.0867 112.2424 55.7954 42.0688 177.6779 7 I 4.4178 8.0227 121.2962 60.5668 36.7246 175.7016 8 E 4.4905 7.6555 116.1315 55.8615 30.7537 178.0201 9 K 3.5192 8.0290 121.2443 59.8777 32.0885 177.6589 10 A 4.1014 7.8146 118.3679 53.2459 18.0860 178.1024 11 K 4.1562 7.9336 116.3693 56.2096 32.2513 178.2741 12 R 3.6569 6.9112 115.1473 57.0942 30.1767 179.0301 13 T 3.6437 7.1447 117.7647 64.8366 65.5349 171.4279 14 P 4.3564 0.0000 0.0000 63.0562 32.5751 179.6337 15 K 3.7350 8.9350 120.7345 57.0492 32.4620 175.8876 16 F 4.6470 8.6744 117.4202 56.1203 42.7434 175.0087 17 K 4.0791 8.9866 125.9648 59.0818 32.2782 177.9577 18 V 3.9203 7.7654 111.6973 63.0494 31.8942 176.4809 19 R 4.4644 8.0141 118.5745 56.0393 29.8625 176.2204 20 A 4.4049 7.8435 121.2145 52.1041 19.3181 178.4803 21 Y 4.5340 8.4805 118.8926 57.2380 38.8820 178.4187 22 T 2.6644 8.5022 113.8828 58.9396 72.6124 173.3779 23 R 4.3149 8.6885 119.4730 55.4855 30.5000 175.4852 24 C 4.4294 8.2198 120.8591 58.8285 32.2984 174.9538 25 V 3.7769 8.4510 126.4759 63.5034 31.6597 176.7415 26 R 4.3925 8.1349 119.2250 57.5661 31.2858 176.1713 27 C 4.3836 8.1957 109.6460 57.7965 30.8368 174.6333 28 G 3.9717 8.2701 107.4557 44.8925 0.0000 172.6168 29 R 3.8968 7.8594 119.9548 56.2864 29.1027 176.5056 30 A 4.3774 8.5155 128.5045 54.4743 19.5622 180.0746 31 R 4.4628 7.1704 119.4224 55.4930 29.7058 178.6612 32 S 4.4962 8.6979 103.1652 58.9037 60.9687 172.9840 33 V 4.4664 7.6143 116.7574 61.5086 33.2689 175.8014 34 Y 4.2521 9.5538 124.6415 57.3307 38.6206 176.2353 35 R 3.9134 9.2821 124.2298 59.6729 30.4297 178.5791 36 F 4.0376 8.4902 118.9056 60.6019 38.0940 175.7802 37 F 4.7137 8.5490 116.1382 56.1382 41.2240 176.2492 38 G 4.0800 8.6864 108.4533 45.9929 0.0000 172.8982 39 L 5.1263 7.3724 118.0350 52.2530 44.7491 176.2034 40 C 4.8501 8.3149 116.4984 57.6825 31.8943 174.7041 41 R 3.9391 8.3097 119.2271 60.1683 28.7359 178.7692 42 I 3.7695 7.7492 119.8640 63.8200 37.1885 177.5404 43 C 4.0032 8.0454 116.7250 63.1486 28.0564 175.7775 44 L 3.5957 7.7260 121.4521 58.4392 41.2543 179.1749 45 R 3.6825 7.2209 116.8311 59.6485 30.4401 177.7242 46 E 4.0374 8.6252 118.5965 59.6109 29.4673 179.1825 47 L 3.9418 8.7660 118.3820 58.1271 42.0220 179.5203 48 A 4.0008 8.2515 120.7933 55.7902 17.9044 179.4621 49 H 4.3545 7.7775 113.6324 58.8766 28.8772 177.9007 50 K 4.1963 7.9212 119.6059 57.6820 32.2870 178.2078 51 G 4.0231 7.8197 106.2150 45.4061 0.0000 174.3439 52 Q 4.2208 7.8432 116.4447 56.1214 28.9682 176.1639 53 L 4.6100 7.3787 119.7139 51.5464 41.5104 173.1833 54 P 4.3037 0.0000 0.0000 64.2605 31.1503 177.5646 55 G 3.8392 8.8279 109.5440 45.8915 0.0000 174.1057 56 V 3.8560 7.6960 119.9446 61.8182 29.9925 175.2022 57 R 4.4287 7.9292 126.8157 54.2366 32.0440 175.0966 58 K 4.3210 8.2613 118.2680 55.0178 32.9676 177.1979 59 A 4.2040 8.5057 126.3034 52.2304 19.1240 176.6759 60 S 4.9047 8.4453 109.9157 57.8993 65.2850 176.7950 61 W 4.5150 8.9740 124.1404 57.2777 27.2173 174.0328 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 2 A 8.26 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.34 0.00 1.99 1.86 0.00 3.18 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 4 K 9.30 3.80 0.00 1.82 1.90 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.49 7.81 5 A 8.24 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.09 4.35 0.00 1.84 1.82 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.02 4.42 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.89 0.00 0.00 8 E 7.66 4.49 0.00 2.15 2.39 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 2.33 2.31 0.00 9 K 8.03 3.52 0.00 1.24 1.64 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.62 0.87 7.81 10 A 7.81 4.10 1.26 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 0.00 0.00 0.00 11 K 7.93 4.16 0.00 1.72 2.04 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 12 R 6.91 3.66 0.00 1.94 1.78 0.00 3.38 0.00 0.00 3.20 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 13 T 7.14 3.64 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 1.19 0.00 0.00 14 P 0.00 4.36 0.00 2.43 2.38 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 15 K 8.94 3.73 0.00 1.89 2.07 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.72 1.21 7.81 16 F 8.67 4.65 0.00 3.11 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 17 K 8.99 4.08 0.00 1.89 1.99 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 18 V 7.77 3.92 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 0.76 0.00 0.00 0.97 0.00 0.00 19 R 8.01 4.46 0.00 1.95 2.06 0.00 3.54 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 20 A 7.84 4.40 1.33 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 0.00 0.00 0.00 21 Y 8.48 4.53 0.00 3.03 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 22 T 8.50 2.66 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 1.26 0.00 0.00 23 R 8.69 4.31 0.00 1.93 2.05 0.00 3.47 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.00 24 C 8.22 4.43 0.00 3.16 2.97 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 0.00 0.00 0.00 25 V 8.45 3.78 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 0.79 0.00 0.00 0.94 0.00 0.00 26 R 8.13 4.39 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 27 C 8.20 4.38 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 28 G 8.27 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.86 3.90 0.00 1.93 1.93 0.00 3.27 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 30 A 8.52 4.38 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.17 4.46 0.00 1.86 1.70 0.00 3.34 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 32 S 8.70 4.50 0.00 3.97 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 33 V 7.61 4.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.09 0.00 0.00 34 Y 9.55 4.25 0.00 2.94 3.18 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 35 R 9.28 3.91 0.00 2.01 2.10 0.00 3.21 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 36 F 8.49 4.04 0.00 3.02 3.18 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 37 F 8.55 4.71 0.00 3.16 3.09 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 38 G 8.69 4.08 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 0.00 0.00 0.00 39 L 7.37 5.13 0.00 1.72 1.52 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.31 4.85 0.00 3.20 3.10 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 41 R 8.31 3.94 0.00 2.10 2.41 0.00 2.79 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 I 7.75 3.77 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.51 0.91 0.00 0.00 43 C 8.05 4.00 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.73 3.60 0.00 1.52 1.66 0.51 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.22 3.68 0.00 1.70 2.08 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 46 E 8.63 4.04 0.00 2.13 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 2.34 2.48 0.00 47 L 8.77 3.94 0.00 1.71 1.73 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.25 4.00 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 49 H 7.78 4.35 0.00 3.41 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.92 4.20 0.00 1.92 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 51 G 7.82 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 52 Q 7.84 4.22 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 7.38 4.61 0.00 1.85 1.78 0.90 1.11 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 54 P 0.00 4.30 0.00 2.19 2.13 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 55 G 8.83 3.84 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 0.00 0.00 0.00 56 V 7.70 3.86 2.26 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 0.82 0.00 0.00 1.26 0.00 0.00 57 R 7.93 4.43 0.00 1.81 1.83 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 58 K 8.26 4.32 0.00 1.81 1.76 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 A 8.51 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.45 4.90 0.00 3.91 3.83 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 0.00 0.00 0.00 61 W 8.97 4.52 0.00 3.37 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