NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3477 8.0433 122.7562 55.2535 44.1976 174.8924 2 T 5.1000 8.2571 120.2613 60.2542 70.9282 171.0541 3 C 5.2393 9.9061 121.2512 53.6770 46.2141 172.5828 4 L 5.0673 8.2127 121.6800 54.2239 42.2894 176.3912 5 I 4.6734 9.2711 116.8320 58.7765 41.5116 173.7667 6 C 5.8755 8.3747 127.6035 55.8729 46.1515 172.6027 7 P 4.6340 0.0000 0.0000 61.5764 28.6078 175.1245 8 E 4.7381 7.7559 122.2332 56.0340 33.0810 175.2107 9 K 3.6408 8.3234 119.9756 58.7875 32.3789 177.3976 10 D 4.7167 7.1885 127.9565 51.6802 39.3119 175.4662 11 C 5.2071 8.0575 123.4500 56.5527 46.4520 172.8533 12 Q 4.5832 8.7221 123.5172 55.1384 31.0274 173.2634 13 K 4.6347 8.8316 125.9554 53.9992 34.8166 175.6862 14 V 4.0751 8.5143 120.6597 62.2222 32.2799 174.8099 15 H 4.9570 9.4382 123.2952 54.8706 34.2082 172.0430 16 T 4.8461 8.1245 118.2144 61.3192 70.3710 175.7364 17 C 4.7638 8.4740 129.8404 56.1986 38.8309 176.2343 18 R 4.0041 7.8973 115.3189 57.1248 29.3806 175.5014 19 N 4.1104 8.0592 121.1265 53.5624 42.8576 174.0835 20 E 3.9200 8.9627 115.1110 59.3309 29.5433 177.0207 21 E 4.3878 7.3132 117.7476 56.4983 30.8450 174.8262 22 K 4.8688 8.4516 115.0604 57.8049 40.0527 176.8187 23 I 4.5162 8.2680 113.3433 59.6248 40.7776 173.9376 24 C 5.2170 8.8301 119.4736 55.1965 42.3991 173.5580 25 V 4.9073 8.7076 123.8284 60.9512 34.1584 174.1964 26 K 5.1266 9.2371 127.1680 54.7802 35.9273 175.0471 27 R 5.2070 9.4844 125.1129 54.5896 34.3446 174.1817 28 F 5.3688 8.6128 117.8702 55.4254 42.1640 172.7135 29 Y 4.6928 9.1674 121.2788 55.6763 41.8666 174.1929 30 D 5.2419 7.9725 124.6447 51.9826 42.0178 174.0235 31 K 4.7065 8.9331 123.6745 54.8183 36.8037 174.9019 32 N 4.6955 8.6600 118.2225 54.3903 39.0984 174.5656 33 Q 3.3953 9.0803 115.0649 58.0042 26.6428 173.8102 34 L 3.6274 8.1988 114.5951 56.0696 40.3173 172.8405 35 G 4.3163 8.1905 106.3617 44.0185 0.0000 170.7951 36 W 5.3632 8.7119 134.3828 56.9132 33.4691 173.6870 37 R 4.9107 8.8753 125.9848 54.5908 34.1398 174.2220 38 A 5.2913 8.4598 123.5956 50.6895 22.8086 175.4629 39 Q 4.4971 8.8119 115.9335 55.1937 33.8945 173.9268 40 R 4.9770 8.4522 124.1306 54.9007 33.3173 174.8406 41 G 4.1673 8.6831 105.9241 45.5127 0.0000 172.4560 42 C 5.1144 8.9525 120.6657 56.9901 40.8512 173.0512 43 A 4.2810 8.3214 121.8122 51.9850 23.1967 177.5835 44 V 4.5131 8.4177 109.9109 60.9753 33.3648 175.4130 45 S 4.6410 7.8624 112.7245 57.0023 65.2942 174.3933 46 C 4.8298 8.3376 125.8602 53.8009 42.9984 172.6446 47 P 4.4247 0.0000 0.0000 61.4277 32.5591 174.8771 48 K 4.6187 8.0925 116.7860 56.0411 35.2342 173.4860 49 A 4.4510 7.8578 120.0759 51.2236 22.0981 175.9375 50 K 4.1471 8.6769 118.2181 56.0616 32.4313 176.7362 51 P 4.4326 0.0000 0.0000 64.5736 31.7076 177.1409 52 N 4.3568 7.5983 116.0215 55.5209 39.0279 175.3609 53 E 3.6148 7.6078 113.9348 55.9522 31.5150 175.8490 54 T 4.3313 7.7775 115.4900 61.5090 71.6426 173.7742 55 V 5.0729 8.0208 125.0254 61.3124 35.2046 174.5916 56 Q 4.7496 8.8880 123.0014 55.4334 31.9993 170.7111 57 C 5.6301 8.8991 117.1912 53.8463 44.8845 173.7140 58 C 5.2216 9.2079 116.3568 54.9288 44.4068 174.8835 59 S 4.6474 8.7275 116.2224 58.0388 63.4785 173.6519 60 T 4.7282 7.5177 109.6456 59.9170 71.6342 172.5123 61 D 4.7174 8.5846 122.6032 54.5644 39.8683 176.1677 62 K 3.8766 8.7979 121.5108 57.5333 30.4211 176.0644 63 C 4.2432 8.0737 119.2343 59.1768 39.2854 173.0894 64 N 4.2424 8.1585 122.2656 53.5659 38.3737 174.6194 65 K 4.0687 8.7782 124.0481 57.0326 32.1140 177.0006 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 L 8.04 4.35 0.00 1.80 1.68 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.26 5.10 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 1.27 0.00 0.00 3 C 9.91 5.24 0.00 2.95 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 4 L 8.21 5.07 0.00 1.77 1.65 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.27 4.67 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.08 0.95 0.00 0.00 6 C 8.37 5.88 0.00 3.03 3.20 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 0.00 7 P 0.00 4.63 0.00 2.27 2.12 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 8 E 7.76 4.74 0.00 1.93 1.83 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 2.19 2.29 0.00 9 K 8.32 3.64 0.00 1.61 1.61 0.00 0.85 0.00 0.00 1.36 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.09 7.81 10 D 7.19 4.72 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 5.21 0.00 2.96 2.95 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 12 Q 8.72 4.58 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 13 K 8.83 4.63 0.00 1.85 1.69 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 14 V 8.51 4.08 2.09 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 0.66 0.00 0.00 0.94 0.00 0.00 15 H 9.44 4.96 0.00 3.15 3.12 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.12 4.85 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 1.20 0.00 0.00 17 C 8.47 4.76 0.00 2.88 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 18 R 7.90 4.00 0.00 1.91 1.98 0.00 3.11 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 19 N 8.06 4.11 0.00 2.80 3.00 0.00 0.00 6.87 7.65 0.00 0.00 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 E 8.96 3.92 0.00 2.11 2.09 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 2.28 2.35 0.00 21 E 7.31 4.39 0.00 2.11 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 0.00 2.51 2.33 0.00 22 K 8.45 4.87 0.00 1.59 1.78 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 23 I 8.27 4.52 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.92 0.00 0.00 24 C 8.83 5.22 0.00 2.89 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 25 V 8.71 4.91 2.09 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 0.99 0.00 0.00 0.96 0.00 0.00 26 K 9.24 5.13 0.00 1.86 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.61 7.81 27 R 9.48 5.21 0.00 1.68 1.69 0.00 3.09 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 28 F 8.61 5.37 0.00 2.86 2.94 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 0.00 0.00 0.00 0.00 29 Y 9.17 4.69 0.00 2.85 2.69 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 0.00 0.00 0.00 0.00 30 D 7.97 5.24 0.00 2.94 1.89 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 31 K 8.93 4.71 0.00 2.11 1.81 0.00 1.86 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.50 7.81 32 N 8.66 4.70 0.00 2.78 2.83 0.00 0.00 6.93 7.73 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 33 Q 9.08 3.40 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 34 L 8.20 3.63 0.00 1.75 1.68 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.19 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 0.00 0.00 0.00 0.00 36 W 8.71 5.36 0.00 3.50 2.98 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 37 R 8.88 4.91 0.00 1.75 1.77 0.00 3.33 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 38 A 8.46 5.29 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 39 Q 8.81 4.50 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 40 R 8.45 4.98 0.00 1.81 1.79 0.00 3.28 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 41 G 8.68 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.95 5.11 0.00 3.00 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 43 A 8.32 4.28 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 44 V 8.42 4.51 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 45 S 7.86 4.64 0.00 3.76 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 46 C 8.34 4.83 0.00 2.93 2.95 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 47 P 0.00 4.42 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 48 K 8.09 4.62 0.00 1.79 1.82 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.43 7.81 49 A 7.86 4.45 1.28 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 0.00 0.00 50 K 8.68 4.15 0.00 1.98 1.76 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.43 7.81 51 P 0.00 4.43 0.00 2.14 2.14 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 52 N 7.60 4.36 0.00 2.88 2.77 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 53 E 7.61 3.61 0.00 1.83 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 0.00 2.41 2.25 0.00 54 T 7.78 4.33 2.69 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 0.00 0.00 0.00 1.12 0.00 0.00 55 V 8.02 5.07 2.01 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 0.94 0.00 0.00 0.84 0.00 0.00 56 Q 8.89 4.75 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 57 C 8.90 5.63 0.00 3.05 3.06 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 58 C 9.21 5.22 0.00 3.05 2.96 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 59 S 8.73 4.65 0.00 3.93 3.90 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 60 T 7.52 4.73 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 1.22 0.00 0.00 61 D 8.58 4.72 0.00 2.81 2.73 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 62 K 8.80 3.88 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.41 7.81 63 C 8.07 4.24 0.00 2.96 3.24 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 64 N 8.16 4.24 0.00 2.85 2.76 0.00 0.00 7.07 6.20 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 65 K 8.78 4.07 0.00 1.80 1.75 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.47 7.81