NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5421 8.3193 116.7965 58.7603 64.1914 172.3338 2 L 4.1334 7.8743 127.5017 54.8043 43.0742 174.3499 3 A 4.3900 8.9257 124.0179 52.6437 18.6197 179.5271 4 A 4.5658 8.6018 121.1640 52.9123 19.3977 176.3546 5 D 4.6798 8.3223 119.3146 54.4178 39.7254 175.8425 6 T 4.5606 7.8814 131.0377 62.5040 70.9611 170.4480 7 P 4.3898 0.0000 0.0000 62.0183 31.7404 175.6624 8 T 3.7530 8.4822 121.1809 62.9012 67.2048 171.6161 9 A 3.7530 8.2903 127.9233 52.6719 18.4000 177.1525 10 C 4.5864 8.1710 119.2967 56.2304 42.0170 175.9484 11 C 4.5320 8.1327 122.4392 55.7474 38.5292 173.1872 12 F 4.5508 7.7091 120.4127 58.1950 39.6533 176.0912 13 S 4.5643 7.9421 115.8657 56.8969 63.7177 172.7215 14 Y 4.1809 7.5992 123.3718 56.3518 38.8874 175.0877 15 T 4.5145 8.3511 118.3890 61.1146 68.2595 174.5195 16 S 4.2552 8.8986 125.5042 61.6181 63.0850 175.1449 17 R 4.1158 7.6298 117.9424 55.7847 30.6862 175.0637 18 Q 3.6307 7.7845 120.9445 53.6023 31.0578 174.7770 19 I 4.3109 5.8701 110.7881 58.6248 40.3415 173.4616 20 P 5.2991 0.0000 0.0000 61.2722 32.6440 177.0592 21 Q 3.4127 8.3025 116.5175 58.7049 28.6595 178.7624 22 N 4.3280 8.0076 114.0570 55.1054 39.0483 175.3378 23 F 4.8092 7.9985 118.9397 57.6598 39.7011 174.3251 24 I 5.0214 7.2324 118.3245 60.1604 40.6608 174.3841 25 A 4.7456 8.7259 119.9855 52.9789 25.0052 176.4074 26 A 5.0765 7.7303 119.9715 52.5058 20.2181 175.4201 27 Y 4.1006 8.5912 116.3132 57.7324 39.8347 174.9991 28 F 2.5758 5.4600 116.5618 58.2841 38.2568 174.9883 29 E 4.6692 8.6964 114.8111 56.8228 29.8376 177.2449 30 T 3.2648 7.9177 110.6415 63.0440 69.5863 169.7105 31 S 4.4987 7.6902 112.5929 58.9436 67.7330 175.5711 32 S 4.4153 7.8917 117.7349 59.6823 63.7094 174.4753 33 Q 4.1171 8.8448 120.1258 56.0276 27.1608 174.8435 34 C 4.9524 7.8741 114.3484 54.4783 42.4854 173.2404 35 S 4.1551 9.0566 119.7277 58.9970 61.9849 174.3265 36 K 4.5896 8.3446 128.3554 54.6815 31.6000 173.6362 37 P 4.5981 0.0000 0.0000 63.5140 32.0604 176.8133 38 G 4.5953 7.5293 105.4897 46.9675 0.0000 173.2923 39 V 4.6606 8.0744 117.4659 60.1167 35.4573 175.0375 40 I 5.3725 7.5451 121.6365 60.0516 39.9034 174.1812 41 F 5.2696 8.2842 120.2258 56.2254 43.7562 174.4564 42 L 5.2579 8.2790 117.0687 53.1912 42.2655 176.4603 43 T 4.6825 7.7492 110.0543 60.8512 69.6432 175.6763 44 K 4.1917 8.7614 121.0490 58.9780 32.2346 177.6846 45 R 4.4208 8.0522 118.6319 56.1440 30.0099 176.4900 46 S 3.8023 7.6573 109.1212 59.1087 61.3523 172.3884 47 R 4.5997 7.3919 118.3025 53.5483 29.9808 175.7268 48 Q 4.9922 8.4314 122.0409 55.9060 29.5109 175.8188 49 V 4.5967 8.4812 120.6902 61.7991 36.0790 174.6851 50 C 5.9158 8.7957 120.7253 55.6977 42.9480 172.5111 51 A 5.0954 8.2653 118.0784 51.3704 22.1406 175.9331 52 D 5.3070 9.4138 120.1772 53.0496 42.2830 175.6102 53 P 4.6535 0.0000 0.0000 63.2782 31.3056 176.8528 54 S 4.4321 7.2319 110.9047 57.2114 62.5808 175.1709 55 E 3.9537 7.7532 117.9852 55.9614 29.6441 177.9852 56 E 3.9917 8.6081 122.3516 57.7066 29.9528 177.3576 57 W 4.3980 7.3928 114.5269 57.3864 28.8942 177.8587 58 V 3.3025 6.1883 117.6046 64.3394 31.1077 176.9043 59 Q 4.0445 7.3058 116.2009 57.1998 28.3811 177.5672 60 K 3.9877 6.7634 120.2008 59.0767 33.0722 177.8468 61 Y 4.5726 7.0274 115.4632 59.9759 37.5265 177.5764 62 V 3.8761 7.3454 118.1837 64.2259 32.4136 177.1268 63 S 4.1961 7.6688 110.9303 60.1292 62.2254 173.8023 64 D 4.7606 7.7641 117.1517 54.1906 43.2977 175.1648 65 L 4.6243 7.2323 116.1391 53.5185 42.0829 176.1788 66 E 3.0752 7.4972 117.0315 55.6407 31.1809 175.1749 67 L 6.0281 6.9491 125.7685 56.1701 43.3444 173.7020 68 S 4.3986 7.8384 111.2526 58.3825 64.1244 174.9483 69 A 4.1630 7.4306 129.4362 52.7693 18.1182 177.5627 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 S 8.32 4.54 0.00 3.88 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 2 L 7.87 4.13 0.00 1.77 1.60 1.01 0.41 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 3 A 8.93 4.39 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 4 A 8.60 4.57 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 5 D 8.32 4.68 0.00 2.79 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 6 T 7.88 4.56 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 1.20 0.00 0.00 7 P 0.00 4.39 0.00 2.10 2.02 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 8 T 8.48 3.75 4.22 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 1.23 0.00 0.00 9 A 8.29 3.75 1.13 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 0.00 0.00 10 C 8.17 4.59 0.00 1.60 1.66 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.53 0.00 2.96 3.23 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 12 F 7.71 4.55 0.00 3.03 2.99 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 S 7.94 4.56 0.00 3.81 3.79 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 0.00 0.00 0.00 14 Y 7.60 4.18 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.51 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 1.36 0.00 0.00 16 S 8.90 4.26 0.00 3.89 3.93 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 0.00 0.00 0.00 17 R 7.63 4.12 0.00 1.66 1.67 0.00 3.19 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 Q 7.78 3.63 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.33 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 19 I 5.87 4.31 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.08 0.61 0.00 0.00 20 P 0.00 5.30 0.00 2.24 2.27 0.00 3.95 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 2.16 2.00 0.00 21 Q 8.30 3.41 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.03 0.00 0.00 0.00 0.00 0.00 1.52 2.44 0.00 22 N 8.01 4.33 0.00 2.61 2.69 0.00 0.00 6.64 7.40 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 23 F 8.00 4.81 0.00 3.01 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 24 I 7.23 5.02 1.76 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.94 0.00 0.00 25 A 8.73 4.75 1.39 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 0.00 0.00 0.00 26 A 7.73 5.08 1.38 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 27 Y 8.59 4.10 0.00 3.01 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.46 2.58 0.00 2.86 2.88 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 0.00 0.00 0.00 0.00 29 E 8.70 4.67 0.00 2.05 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 0.00 2.20 2.27 0.00 30 T 7.92 3.26 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 1.16 0.00 0.00 31 S 7.69 4.50 0.00 3.81 3.80 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 0.00 0.00 0.00 32 S 7.89 4.42 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 4.12 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 34 C 7.87 4.95 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 35 S 9.06 4.16 0.00 3.86 3.92 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 36 K 8.34 4.59 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.32 7.81 37 P 0.00 4.60 0.00 2.10 2.14 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 38 G 7.53 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.66 2.00 0.00 0.00 0.00 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 0.83 0.00 0.00 40 I 7.55 5.37 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.76 0.00 0.00 41 F 8.28 5.27 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 5.26 0.00 1.82 1.71 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.75 4.68 4.44 0.00 0.00 0.00 0.00 0.00 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 44 K 8.76 4.19 0.00 1.86 1.96 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.40 7.81 45 R 8.05 4.42 0.00 1.84 1.94 0.00 3.46 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 46 S 7.66 3.80 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.39 4.60 0.00 1.64 1.84 0.00 3.19 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 48 Q 8.43 4.99 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 49 V 8.48 4.60 2.25 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 0.99 0.00 0.00 0.99 0.00 0.00 50 C 8.80 5.92 0.00 3.14 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 51 A 8.27 5.10 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 52 D 9.41 5.31 0.00 3.01 2.61 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 53 P 0.00 4.65 0.00 2.13 2.04 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 54 S 7.23 4.43 0.00 3.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.95 0.00 1.16 1.12 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 2.24 1.90 0.00 56 E 8.61 3.99 0.00 1.94 2.04 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 2.29 2.28 0.00 57 W 7.39 4.40 0.00 3.59 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.19 3.30 1.38 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 0.92 0.00 0.00 -0.58 0.00 0.00 59 Q 7.31 4.04 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.41 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 60 K 6.76 3.99 0.00 1.68 1.40 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.69 7.81 61 Y 7.03 4.57 0.00 3.42 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 62 V 7.35 3.88 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 63 S 7.67 4.20 0.00 3.86 3.98 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 64 D 7.76 4.76 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 4.62 0.00 1.72 1.35 0.95 0.80 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 66 E 7.50 3.08 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 67 L 6.95 6.03 0.00 1.86 1.55 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.84 4.40 0.00 4.00 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 69 A 7.43 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00