NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9787 8.0544 120.3972 62.7379 32.5986 174.8170 2 L 4.1986 8.1204 124.0691 52.6019 43.6076 170.8273 3 V 4.2469 8.1305 128.5556 61.6669 32.8338 173.5608 4 Q 4.9406 8.4946 125.4309 54.5158 30.9652 174.4369 5 T 4.7722 8.1978 115.2758 60.8977 71.4388 173.7939 6 R 4.3025 8.1892 120.6243 58.4736 30.6221 172.4514 7 G 3.8915 8.9681 121.4697 45.7113 0.0000 174.5969 8 G 3.3711 7.7384 110.3795 45.0543 0.0000 173.5282 9 N 4.4732 6.7943 124.5544 53.4609 38.7730 175.8546 10 S 4.3095 7.4772 110.6564 57.9981 63.7684 174.3686 11 N 4.0847 9.2091 116.5629 54.5101 36.2093 174.8160 12 G 4.2236 7.6422 107.8790 45.9845 0.0000 172.8839 13 A 4.7001 8.7737 124.9333 50.5513 24.0496 174.8625 14 L 4.5928 8.2365 121.2115 53.7605 42.8019 176.9070 15 C 4.0545 8.2906 126.6785 57.5924 44.2511 171.8890 16 H 4.8842 7.7895 121.4941 54.5982 33.0930 172.2347 17 F 5.4677 7.7839 118.3251 55.3747 42.8828 172.7702 18 P 5.1915 0.0000 0.0000 62.7750 33.1115 175.6270 19 F 4.9969 9.4673 114.8969 54.9185 41.0787 173.6393 20 L 4.0719 8.9345 126.7121 55.7458 43.3225 174.9641 21 Y 5.0013 8.2513 128.6261 55.6507 39.8963 175.0046 22 N 4.6441 9.0037 126.8782 54.3144 35.5347 174.8289 23 N 4.2359 8.2788 111.8048 54.3597 38.9542 173.6926 24 H 4.4424 7.3264 117.9056 53.4485 29.5926 170.0023 25 N 4.1397 8.2237 116.3793 53.7229 39.4645 173.2963 26 Y 4.4038 8.1461 122.1055 56.0793 39.9293 176.5471 27 T 4.5667 8.3181 122.1469 63.6189 69.2428 174.2790 28 D 3.3700 6.7732 120.3427 54.0124 44.9181 176.1801 29 C 4.6196 8.3350 116.8492 57.2922 36.5011 172.9991 30 T 4.5036 7.5710 115.4778 60.6485 70.2133 174.2066 31 S 4.9337 8.3142 120.4589 58.2771 63.4501 175.9662 32 E 4.1425 8.1621 122.9280 59.3371 29.2680 178.1235 33 G 3.9534 8.5238 105.9354 44.9179 0.0000 172.8860 34 R 4.7676 7.8757 118.0012 54.1907 33.2953 175.4278 35 R 4.6766 8.4567 113.2737 55.7986 29.3453 175.1294 36 D 4.8110 7.3361 114.2165 52.7104 42.4430 175.1039 37 N 4.3642 7.8162 127.5365 53.6201 41.5616 174.9414 38 M 4.2629 7.7389 115.8732 55.5333 32.7836 174.9646 39 K 4.8143 8.4073 119.2758 54.7520 36.0709 175.3885 40 W 5.2868 8.4843 123.8419 55.5214 31.5747 173.4217 41 C 4.1002 8.9716 117.8461 54.9428 41.3051 173.4913 42 G 4.5380 5.6490 111.2252 46.4018 0.0000 174.2386 43 T 4.3878 8.6038 112.0552 61.2896 69.6419 174.1064 44 T 4.6028 7.6161 111.7292 60.3650 71.3412 173.6143 45 Q 4.6432 8.4897 118.0603 56.2888 29.5674 176.5720 46 N 5.0978 8.1169 116.9371 50.8538 40.0148 173.5125 47 Y 4.0907 9.3543 124.0670 60.6380 39.0932 177.1023 48 D 4.6575 8.6155 117.6926 56.4658 40.9666 177.4604 49 A 4.7695 7.8643 117.4922 51.5872 19.8858 175.8431 50 D 4.6132 8.0135 116.4467 55.5676 43.7209 176.8534 51 Q 3.1159 7.9156 116.1052 56.8029 27.5089 173.5979 52 K 4.3753 6.9091 117.7984 54.4489 35.0870 174.4014 53 F 5.4486 8.0587 121.3151 55.8907 41.1448 172.4470 54 G 3.7830 8.6335 105.2809 46.3306 0.0000 172.4798 55 F 5.2823 8.2804 118.3576 55.4265 41.5836 175.4633 56 C 5.1083 8.2501 118.0684 54.9100 41.9835 174.2826 57 P 4.4674 0.0000 0.0000 63.3472 29.4826 175.8551 58 M 4.3596 7.6300 123.9830 55.8624 36.1304 174.9906 59 A 4.3429 8.6204 121.9830 52.8854 19.4454 176.5645 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 V 8.05 3.98 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 0.99 0.00 0.00 0.95 0.00 0.00 2 L 8.12 4.20 0.00 1.65 1.52 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.13 4.25 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 1.04 0.00 0.00 1.08 0.00 0.00 4 Q 8.49 4.94 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 5 T 8.20 4.77 4.61 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 1.22 0.00 0.00 6 R 8.19 4.30 0.00 1.76 1.78 0.00 3.46 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 7 G 8.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.74 3.37 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 0.00 9 N 6.79 4.47 0.00 2.26 2.55 0.00 0.00 7.26 8.52 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 10 S 7.48 4.31 0.00 3.91 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 11 N 9.21 4.08 0.00 2.82 2.89 0.00 0.00 7.17 7.63 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 12 G 7.64 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 0.00 0.00 0.00 0.00 13 A 8.77 4.70 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 14 L 8.24 4.59 0.00 1.63 1.53 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.29 4.05 0.00 2.79 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 16 H 7.79 4.88 0.00 3.03 2.99 0.00 5.80 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.78 5.47 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 5.19 0.00 2.17 2.15 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 19 F 9.47 5.00 0.00 3.48 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 20 L 8.93 4.07 0.00 1.83 1.71 0.99 0.72 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 21 Y 8.25 5.00 0.00 2.66 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 22 N 9.00 4.64 0.00 1.85 2.49 0.00 0.00 6.72 7.90 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 23 N 8.28 4.24 0.00 2.83 2.81 0.00 0.00 6.74 7.28 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 24 H 7.33 4.44 0.00 3.25 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.22 4.14 0.00 2.52 2.74 0.00 0.00 7.10 7.46 0.00 0.00 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 Y 8.15 4.40 0.00 2.59 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.57 4.14 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 1.22 0.00 0.00 28 D 6.77 3.37 0.00 2.34 2.28 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 29 C 8.34 4.62 0.00 2.88 3.02 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 30 T 7.57 4.50 3.38 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 0.16 0.00 0.00 31 S 8.31 4.93 0.00 4.09 4.31 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 32 E 8.16 4.14 0.00 2.08 2.33 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 2.45 2.38 0.00 33 G 8.52 3.95 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 0.00 0.00 0.00 34 R 7.88 4.77 0.00 1.98 2.07 0.00 3.51 0.00 0.00 3.66 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 35 R 8.46 4.68 0.00 1.88 1.94 0.00 3.01 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 36 D 7.34 4.81 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.36 0.00 2.68 2.85 0.00 0.00 6.97 7.67 0.00 0.00 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 M 7.74 4.26 0.00 2.20 2.31 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 2.69 2.55 0.00 39 K 8.41 4.81 0.00 1.78 1.56 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.44 7.81 40 W 8.48 5.29 0.00 3.81 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 41 C 8.97 4.10 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.65 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.60 4.39 4.13 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 1.07 0.00 0.00 44 T 7.62 4.60 4.48 0.00 0.00 0.00 0.00 0.00 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 45 Q 8.49 4.64 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.35 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 46 N 8.12 5.10 0.00 2.72 2.73 0.00 0.00 6.79 8.88 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 47 Y 9.35 4.09 0.00 3.62 3.26 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 48 D 8.62 4.66 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.77 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 50 D 8.01 4.61 0.00 2.69 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 51 Q 7.92 3.12 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 52 K 6.91 4.38 0.00 1.68 1.47 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.30 7.81 53 F 8.06 5.45 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 5.28 0.00 3.05 3.07 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 56 C 8.25 5.11 0.00 2.96 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 57 P 0.00 4.47 0.00 2.24 2.11 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 58 M 7.63 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 59 A 8.62 4.34 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00