NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2172 8.2544 120.8599 56.1397 31.2436 174.1130 6 Q 4.3825 8.5036 126.0505 54.1703 30.6235 173.0066 7 T 4.2624 9.1011 123.1965 62.5364 70.6387 173.5951 8 Y 4.7838 8.1523 124.4869 57.4636 39.0845 176.2536 9 T 4.2335 8.3917 114.4545 61.4197 71.1335 175.4901 10 R 3.8963 8.6145 121.4163 59.7215 29.9329 178.1997 11 Y 3.9967 7.9776 118.8517 60.7073 38.9890 177.3760 12 Q 3.7661 8.1028 118.9354 59.4663 28.7859 179.2299 13 T 3.7100 8.0517 116.6054 66.4592 68.3360 176.8235 14 L 3.9216 7.8121 120.9070 57.8002 41.6765 179.2537 15 E 3.7613 7.8593 118.5541 59.3596 29.3066 179.5588 16 L 3.5924 7.3799 118.9013 57.5662 41.3244 179.2173 17 E 4.2292 8.2428 119.4549 59.0372 29.3090 179.0065 18 K 4.0765 8.1849 118.6271 59.1961 32.3296 178.6241 19 E 4.3809 8.3860 119.8618 59.3733 29.4450 178.6216 20 F 4.6413 8.4556 120.9143 60.9337 39.4595 176.2516 21 H 4.1607 8.0181 117.2661 58.2243 29.5398 176.2720 22 F 4.7522 8.1001 118.1578 57.6234 39.6997 175.5333 23 N 4.9422 7.6509 115.4426 51.5166 40.7983 175.4626 24 R 3.6180 8.3366 121.5440 57.0333 30.6836 176.0661 25 Y 4.5932 7.4804 114.8715 55.9304 41.3728 174.6777 26 L 4.5351 8.1483 122.9980 53.3525 44.2570 176.6167 27 T 4.4511 7.7614 110.9934 60.3789 71.9735 175.8704 28 R 3.8187 8.2588 121.1619 59.5658 29.8053 178.5166 29 R 3.8332 7.8758 118.0347 59.4735 30.1445 178.3591 30 R 3.8557 7.8255 118.0521 59.3069 30.0793 178.3866 31 R 3.8715 8.2775 118.9529 59.4536 29.9691 178.6220 32 I 3.6954 7.7375 119.7488 64.0158 37.0195 178.2771 33 E 3.8941 7.8127 119.2184 59.5002 29.3404 179.4563 34 I 3.6581 7.7864 119.6145 64.2046 37.0825 178.2332 35 A 3.9824 7.9106 121.6554 55.5601 18.0381 179.5287 36 H 4.2249 8.0409 113.9322 59.0330 28.6688 177.9387 37 A 4.0457 8.0684 121.3671 54.4998 18.3075 178.6896 38 L 4.3914 7.8835 114.5550 53.7044 42.5752 176.5585 39 S 3.7711 7.7265 114.1896 59.9650 60.6575 171.2994 40 L 4.8174 7.8672 118.0672 52.6448 45.1707 177.2806 41 T 4.3993 8.6445 111.0544 61.1569 71.2530 175.8327 42 E 4.0501 8.6187 120.9136 59.3689 29.3581 179.6186 43 R 3.9664 7.9799 118.7068 59.4467 30.1494 178.3915 44 Q 4.1533 8.0082 117.6472 58.9119 28.6967 178.7130 45 I 3.9225 7.8124 120.6210 64.1441 37.1448 178.3492 46 K 4.0737 8.4045 120.6495 59.7395 32.0107 179.0276 47 I 3.8491 8.2627 120.3979 63.9416 37.0237 178.1191 48 W 4.0555 8.7793 129.7175 60.7224 30.5652 178.1413 49 F 4.1668 8.7607 117.6158 60.1481 38.1773 177.5589 50 Q 3.9914 8.1643 119.4983 59.3047 28.9052 178.1641 51 N 4.1975 8.3039 117.7592 56.3221 38.5785 177.3761 52 R 3.1665 7.6015 120.3224 59.2386 29.9164 178.7873 53 R 4.0834 7.9104 117.8544 59.3503 29.4911 178.9291 54 M 4.1208 7.6862 118.8219 58.1727 32.0812 178.6706 55 K 3.9058 8.0883 119.8704 59.1959 32.1326 178.5771 56 W 4.1460 8.0058 127.8455 60.4158 30.7347 177.8258 57 K 4.1950 8.2958 117.3586 59.1494 32.2410 178.3321 58 K 4.4139 7.5343 116.0524 56.0860 32.5305 176.3225 59 E 4.5805 7.4075 118.7354 55.1880 30.3290 174.9699 60 N 4.1863 7.6736 120.9746 53.5616 38.7615 173.9044 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 5 R 8.25 4.22 0.00 1.76 1.89 0.00 3.15 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 6 Q 8.50 4.38 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 7 T 9.10 4.26 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 1.22 0.00 0.00 8 Y 8.15 4.78 0.00 2.98 2.79 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 9 T 8.39 4.23 4.32 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 1.28 0.00 0.00 10 R 8.61 3.90 0.00 1.95 2.04 0.00 3.22 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 11 Y 7.98 4.00 0.00 3.08 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 12 Q 8.10 3.77 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 13 T 8.05 3.71 4.28 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 1.34 0.00 0.00 14 L 7.81 3.92 0.00 1.81 1.59 0.93 0.96 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 15 E 7.86 3.76 0.00 1.70 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 16 L 7.38 3.59 0.00 0.65 0.13 -0.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.24 4.23 0.00 2.30 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 0.00 2.41 2.57 0.00 18 K 8.18 4.08 0.00 1.98 1.98 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.61 7.81 19 E 8.39 4.38 0.00 2.31 2.36 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 2.55 2.64 0.00 20 F 8.46 4.64 0.00 3.31 3.41 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 21 H 8.02 4.16 0.00 3.06 3.28 0.00 5.98 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.10 4.75 0.00 3.18 3.03 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 23 N 7.65 4.94 0.00 2.74 2.78 0.00 0.00 7.02 7.66 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 24 R 8.34 3.62 0.00 1.30 1.27 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 25 Y 7.48 4.59 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.54 0.00 1.32 1.36 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.76 4.45 4.20 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 1.18 0.00 0.00 28 R 8.26 3.82 0.00 1.88 1.94 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 29 R 7.88 3.83 0.00 1.89 1.88 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 30 R 7.83 3.86 0.00 1.92 1.83 0.00 3.25 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 31 R 8.28 3.87 0.00 1.96 2.01 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 I 7.74 3.70 1.93 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 1.64 1.22 0.74 0.00 0.00 33 E 7.81 3.89 0.00 2.12 1.96 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 2.30 2.50 0.00 34 I 7.79 3.66 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.87 0.00 0.00 35 A 7.91 3.98 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 36 H 8.04 4.22 0.00 3.31 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.07 4.05 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 38 L 7.88 4.39 0.00 1.69 1.60 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.73 3.77 0.00 3.97 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 40 L 7.87 4.82 0.00 1.49 1.47 0.36 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.64 4.40 4.28 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 1.28 0.00 0.00 42 E 8.62 4.05 0.00 2.06 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 2.39 2.37 0.00 43 R 7.98 3.97 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 44 Q 8.01 4.15 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 45 I 7.81 3.92 2.07 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 1.68 1.04 1.08 0.00 0.00 46 K 8.40 4.07 0.00 1.99 2.07 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.28 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.55 7.81 47 I 8.26 3.85 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.97 0.00 0.00 48 W 8.78 4.06 0.00 3.62 3.39 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 49 F 8.76 4.17 0.00 3.34 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 50 Q 8.16 3.99 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 51 N 8.30 4.20 0.00 2.56 2.58 0.00 0.00 6.73 7.30 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 52 R 7.60 3.17 0.00 0.67 0.81 0.00 2.41 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.91 4.08 0.00 2.13 1.96 0.00 3.04 0.00 0.00 2.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.82 0.00 54 M 7.69 4.12 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 55 K 8.09 3.91 0.00 1.66 1.80 0.00 1.48 0.00 0.00 1.40 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.36 7.81 56 W 8.01 4.15 0.00 3.51 3.49 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 0.00 57 K 8.30 4.19 0.00 2.16 2.22 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.53 7.81 58 K 7.53 4.41 0.00 1.75 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.55 7.81 59 E 7.41 4.58 0.00 1.86 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 2.12 2.13 0.00 60 N 7.67 4.19 0.00 2.07 1.64 0.00 0.00 7.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00