NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0937 8.0549 113.9827 61.3165 33.3236 173.7468 4 N 4.7854 8.2844 119.5143 50.5434 42.9610 171.5611 5 S 5.4005 8.7443 114.6008 56.5673 66.2828 172.6763 6 V 5.0705 9.3537 125.3966 60.2772 34.7808 174.3145 7 T 4.9716 8.9593 120.3512 62.0810 70.7097 173.2955 8 I 4.8814 8.8230 127.8226 59.5015 40.3868 175.1883 9 S 4.7422 9.2071 123.2486 57.9683 64.4386 173.5241 10 V 4.8251 8.5216 123.6426 61.3934 33.6292 174.8833 11 E 4.4688 8.8979 127.8573 55.9835 30.8585 177.0242 12 G 4.0645 9.2052 109.2766 45.5112 0.0000 173.4740 13 M 4.4688 7.8413 120.0459 54.8475 32.2757 175.9919 14 T 4.3502 8.3488 114.1421 62.5984 70.5536 174.1536 15 C 4.6806 7.2974 115.9503 56.7045 33.0925 173.9629 16 N 4.4632 8.4305 117.0997 56.2936 37.9056 177.7646 17 S 4.3847 8.1084 116.6272 61.5458 62.9934 176.0959 18 C 4.1690 8.1445 119.1243 62.7749 27.8962 175.9484 19 V 3.5034 7.6223 119.3178 65.9435 31.1002 177.9122 20 W 4.1849 8.4390 127.9400 60.6798 30.5545 178.1164 21 T 3.3768 8.0059 115.7817 66.4644 67.8168 176.8342 22 I 3.5871 7.6432 121.5989 64.3845 37.0614 178.2934 23 E 3.8760 8.2074 119.5455 59.4874 29.0344 179.5977 24 Q 3.7907 7.9371 117.3453 58.8244 28.9025 178.3075 25 Q 3.9880 7.8270 120.4392 59.3976 29.1695 178.3143 26 I 3.8565 8.0240 121.2011 64.0140 36.9375 178.4852 27 G 3.7301 8.1021 105.7187 47.0687 0.0000 175.3074 28 K 4.1468 7.5765 119.9662 57.5005 32.7459 177.8249 29 V 3.5038 7.1990 119.8322 62.6363 31.8491 174.4464 30 N 4.2817 8.6616 125.4948 56.3967 38.9166 174.5544 31 G 4.0241 9.1275 113.8504 45.1301 0.0000 172.3080 32 V 4.3944 7.4543 120.2390 62.1612 31.5692 175.2187 33 H 4.5919 8.9785 125.6105 58.4530 29.5667 175.4264 34 H 4.7549 7.8173 114.8861 55.1813 33.0885 172.3394 35 I 4.8845 8.1440 124.0385 58.9622 40.9836 174.0065 36 K 4.5901 9.1930 130.6965 54.6502 34.5459 174.5867 37 V 4.4816 9.0752 128.7753 61.7366 32.9484 174.8705 38 S 4.5968 9.0946 123.2192 56.4512 63.7359 174.4172 39 L 3.9384 8.7503 129.9052 58.1659 42.3518 177.6337 40 E 4.0451 8.2965 117.8802 59.0817 29.6023 177.0154 41 E 4.3275 8.1721 114.6490 55.2756 30.4712 175.9142 42 K 3.8365 7.9366 118.6225 56.6732 30.0702 172.7170 43 N 5.2690 7.2575 114.5766 52.0589 41.8062 174.2042 44 A 5.0133 9.0805 119.9605 50.5506 22.6884 175.1511 45 T 5.0006 9.3420 119.8240 61.9435 71.0397 173.6207 46 I 4.9895 8.8089 127.9904 59.5608 40.4268 174.6433 47 I 5.0165 8.7564 128.8429 60.1118 38.8605 174.6194 48 Y 5.3040 8.5478 124.4614 55.3370 42.3256 173.8168 49 D 4.8773 9.1339 121.0327 52.8780 41.3478 175.3416 50 P 4.8604 0.0000 0.0000 64.7428 31.3862 177.6306 51 K 4.2381 8.9720 117.9167 57.8579 32.2924 177.4897 52 L 4.6629 8.1560 117.8686 55.1329 43.8712 176.4334 53 Q 4.6139 7.8805 115.3074 53.5135 32.9587 173.4906 54 T 4.7176 8.2517 109.7641 58.7795 72.9952 173.2439 55 P 4.0003 0.0000 0.0000 65.6544 31.1427 178.8802 56 K 3.9290 7.9082 117.9873 59.7082 32.2758 178.8773 57 T 4.0184 7.9791 110.1184 64.6846 68.5505 176.6195 58 L 3.8808 7.9415 121.9347 57.5290 41.5536 178.9876 59 Q 3.9422 8.3608 119.9433 59.4541 28.9581 178.4891 60 E 3.9354 8.5815 119.6012 59.1470 29.2174 179.1011 61 A 3.9988 7.7577 120.2133 55.2134 18.7399 179.4576 62 I 3.9038 7.5893 117.9114 64.3876 37.3064 177.9486 63 D 5.2206 8.2543 120.4307 57.0834 40.7865 178.0639 64 D 4.4461 8.0492 117.9302 56.8328 40.8866 177.7986 65 M 4.3501 7.8681 117.9761 56.0664 32.1954 177.1066 66 G 3.7855 8.1308 107.5336 44.9303 0.0000 172.8577 67 F 4.6996 7.8001 118.6046 54.9833 40.9131 174.3336 68 D 5.0501 8.7891 125.8507 54.4017 42.1276 174.6053 69 A 5.2755 8.8941 127.1340 50.1930 22.3735 175.3541 70 V 4.3676 8.6031 121.0248 60.7900 34.8615 174.8167 71 I 3.9708 8.6654 129.1384 62.5967 37.0401 174.7052 72 H 4.8151 9.4069 123.8090 57.0638 30.4550 174.8396 73 N 5.1672 8.0310 114.1028 51.4171 43.0103 173.1594 74 I 5.0716 8.4692 122.3009 59.6321 40.1049 174.7367 75 E 4.7046 9.0408 126.2355 54.9461 33.3608 176.1693 76 G 4.3148 8.1207 109.0511 47.0468 0.0000 173.6757 77 R 4.1216 8.4690 115.9856 56.8837 28.8055 174.3957 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 3 V 8.05 4.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.80 0.00 0.00 4 N 8.28 4.79 0.00 1.70 2.53 0.00 0.00 6.69 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.74 5.40 0.00 3.85 3.66 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 6 V 9.35 5.07 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 0.63 0.00 0.00 1.03 0.00 0.00 7 T 8.96 4.97 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 1.22 0.00 0.00 8 I 8.82 4.88 1.83 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 1.20 0.83 0.94 0.00 0.00 9 S 9.21 4.74 0.00 3.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.83 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 0.73 0.00 0.00 0.87 0.00 0.00 11 E 8.90 4.47 0.00 1.95 1.90 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 2.32 2.28 0.00 12 G 9.21 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.84 4.47 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.11 0.00 14 T 8.35 4.35 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 15 C 7.30 4.68 0.00 3.13 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 16 N 8.43 4.46 0.00 2.75 2.92 0.00 0.00 6.84 7.57 0.00 0.00 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 S 8.11 4.38 0.00 3.99 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 18 C 8.14 4.17 0.00 3.22 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 19 V 7.62 3.50 2.29 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 1.15 0.00 0.00 0.99 0.00 0.00 20 W 8.44 4.18 0.00 3.45 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.38 4.41 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 1.24 0.00 0.00 22 I 7.64 3.59 1.66 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.76 0.00 0.00 23 E 8.21 3.88 0.00 2.02 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 2.28 2.47 0.00 24 Q 7.94 3.79 0.00 1.46 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.04 1.30 0.00 25 Q 7.83 3.99 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 26 I 8.02 3.86 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.58 0.86 0.00 0.00 27 G 8.10 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.58 4.15 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.67 7.81 29 V 7.20 3.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 30 N 8.66 4.28 0.00 2.70 2.75 0.00 0.00 7.38 7.98 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 31 G 9.13 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 32 V 7.45 4.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 33 H 8.98 4.59 0.00 3.21 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.82 4.75 0.00 3.16 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.14 4.88 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.87 0.00 0.00 36 K 9.19 4.59 0.00 1.86 1.63 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.39 7.81 37 V 9.08 4.48 2.03 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 0.73 0.00 0.00 0.84 0.00 0.00 38 S 9.09 4.60 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 39 L 8.75 3.94 0.00 1.62 1.68 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.30 4.05 0.00 1.97 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 2.29 2.34 0.00 41 E 8.17 4.33 0.00 2.00 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 2.28 2.26 0.00 42 K 7.94 3.84 0.00 1.95 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 43 N 7.26 5.27 0.00 2.89 2.84 0.00 0.00 5.72 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 44 A 9.08 5.01 1.15 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 0.00 0.00 45 T 9.34 5.00 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 1.25 0.00 0.00 46 I 8.81 4.99 1.90 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 1.21 0.65 0.96 0.00 0.00 47 I 8.76 5.02 1.94 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 1.30 1.05 0.89 0.00 0.00 48 Y 8.55 5.30 0.00 3.17 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 49 D 9.13 4.88 0.00 2.84 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 50 P 0.00 4.86 0.00 2.24 2.20 0.00 3.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 51 K 8.97 4.24 0.00 1.96 1.93 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.42 7.81 52 L 8.16 4.66 0.00 1.79 1.72 0.96 0.97 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 53 Q 7.88 4.61 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 54 T 8.25 4.72 4.24 0.00 0.00 0.00 0.00 0.00 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 55 P 0.00 4.00 0.00 2.16 2.14 0.00 3.62 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 2.17 2.24 0.00 56 K 7.91 3.93 0.00 1.84 1.77 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.64 7.81 57 T 7.98 4.02 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 1.19 0.00 0.00 58 L 7.94 3.88 0.00 1.66 1.61 0.27 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.36 3.94 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 60 E 8.58 3.94 0.00 2.23 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 2.32 2.38 0.00 61 A 7.76 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.90 1.87 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 1.36 0.97 0.93 0.00 0.00 63 D 8.25 5.22 0.00 2.97 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 64 D 8.05 4.45 0.00 2.92 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 65 M 7.87 4.35 0.00 2.23 2.52 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.58 0.00 66 G 8.13 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 0.00 0.00 0.00 67 F 7.80 4.70 0.00 3.09 2.93 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 68 D 8.79 5.05 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 5.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.60 4.37 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 1.06 0.00 0.00 0.96 0.00 0.00 71 I 8.67 3.97 1.88 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 1.33 0.64 0.93 0.00 0.00 72 H 9.41 4.82 0.00 3.12 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.03 5.17 0.00 2.61 2.67 0.00 0.00 6.81 7.44 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 74 I 8.47 5.07 1.91 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 1.41 0.65 1.00 0.00 0.00 75 E 9.04 4.70 0.00 1.85 1.79 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 2.22 2.24 0.00 76 G 8.12 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 0.00 0.00 0.00 77 R 8.47 4.12 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00