NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7150 8.4249 118.2179 52.5724 39.2118 174.0841 3 Q 4.3326 7.6973 117.3140 55.6224 28.9472 175.9800 4 G 3.7227 8.8794 109.4923 47.6124 0.0000 174.7815 5 K 4.3564 7.7915 118.5163 56.2381 32.6708 178.1073 6 I 3.3800 7.6180 121.3972 63.5559 37.8200 177.0210 7 W 5.3104 7.8090 116.9849 56.4929 28.9112 176.7615 8 T 4.3569 7.8726 109.3657 62.5009 68.9545 175.9164 9 V 4.2260 7.6024 113.7822 61.4669 34.3339 175.7928 10 V 4.1603 7.8881 120.0671 61.0811 32.7491 174.2720 11 N 4.8190 8.7286 125.5162 52.4775 39.4656 173.8723 12 P 4.2516 0.0000 0.0000 65.4008 31.1001 178.0431 13 A 3.9665 8.2725 120.3010 54.5313 18.4671 178.6812 14 I 4.2582 7.6000 117.3958 63.3156 38.2562 178.3220 15 G 3.9090 8.5346 107.0621 47.7042 0.0000 176.0748 16 I 3.7523 7.8248 122.1116 63.7652 37.0895 176.6833 17 P 4.2290 0.0000 0.0000 65.5640 31.1203 178.4921 18 A 4.0553 8.1296 119.6372 54.8598 18.1783 179.5223 19 L 3.9198 8.0512 118.8373 58.4185 42.3040 179.1263 20 L 4.0981 8.3332 119.4380 57.7588 41.4980 179.8611 21 G 3.6164 8.5101 105.9769 47.9828 0.0000 175.9764 22 S 4.1646 8.3116 118.0698 61.2036 62.8453 176.9505 23 V 3.6151 8.0538 121.0779 66.3019 31.2364 178.1872 24 T 3.8909 7.9694 115.4912 66.6209 68.2171 176.7047 25 V 3.6105 8.1843 120.4918 66.0103 31.4626 178.0803 26 I 3.6791 7.9883 119.2555 64.4034 36.9518 177.9534 27 A 4.0776 8.0981 121.5216 55.5798 18.0685 179.7941 28 I 3.7323 8.0152 117.9893 64.5359 37.1050 178.6799 29 L 4.0088 8.3168 120.2226 57.7326 41.4300 179.8181 30 V 3.5894 8.2335 118.5073 66.3396 31.4403 177.6151 31 H 4.2625 8.5035 116.0727 59.1939 28.6372 177.8027 32 L 3.9926 8.3943 120.5642 57.4904 41.2732 179.3881 33 A 4.0110 8.3679 121.0714 55.4327 18.2874 179.7518 34 I 3.5820 7.9051 118.2621 64.3597 36.8976 178.3278 35 L 3.5729 8.0582 120.5878 58.0667 41.9154 178.6881 36 S 4.3627 7.7614 112.5023 59.5935 63.0479 174.4696 37 H 4.8735 7.4768 117.3984 55.1131 29.7131 172.9627 38 T 4.5916 7.3643 109.1875 59.9227 71.6622 173.8280 39 T 4.2376 8.1067 111.3011 62.8435 70.1184 177.0604 40 W 4.3818 7.7823 120.1265 59.1048 28.1958 178.1398 41 F 4.2515 7.0541 121.4174 60.7666 38.8031 175.0871 42 P 3.9704 0.0000 0.0000 65.7319 31.2209 178.4040 43 A 4.2532 8.0557 119.0632 55.1854 17.9985 179.0388 44 Y 4.4187 8.1282 117.4954 60.9515 39.0304 178.1520 45 W 4.3692 7.9304 118.8373 59.7974 29.2347 177.9124 46 Q 4.1461 8.7121 119.1161 59.2049 29.0699 177.8718 47 G 3.7520 9.2857 108.7766 47.2530 0.0000 173.5359 48 G 4.0028 9.0946 107.2718 45.5415 0.0000 173.9834 49 V 3.9359 7.1423 119.3067 59.9947 29.6151 176.1369 50 K 4.0373 7.9743 125.6341 59.4556 33.1357 177.8764 51 K 4.3983 7.7193 117.8835 56.8056 35.4742 177.0552 52 A 4.1479 7.9473 120.2180 51.9982 19.0342 177.1408 53 A 4.2672 8.3093 123.8106 52.3875 19.4305 175.9112 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 2 N 8.42 4.71 0.00 2.84 2.99 0.00 0.00 6.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.70 4.33 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 4 G 8.88 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.79 4.36 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 6 I 7.62 3.38 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.74 -0.45 0.00 0.00 7 W 7.81 5.31 0.00 3.34 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 8 T 7.87 4.36 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 9 V 7.60 4.23 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 0.70 0.00 0.00 0.90 0.00 0.00 10 V 7.89 4.16 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 1.11 0.00 0.00 0.83 0.00 0.00 11 N 8.73 4.82 0.00 2.94 2.77 0.00 0.00 6.97 7.71 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 12 P 0.00 4.25 0.00 1.84 1.55 0.00 3.84 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 13 A 8.27 3.97 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 14 I 7.60 4.26 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.96 0.00 0.00 15 G 8.53 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 0.00 0.00 0.00 16 I 7.82 3.75 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.12 0.80 0.00 0.00 17 P 0.00 4.23 0.00 2.16 2.10 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 18 A 8.13 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.92 0.00 1.99 1.95 0.99 0.59 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 20 L 8.33 4.10 0.00 1.72 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.51 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.16 0.00 4.05 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 23 V 8.05 3.62 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 1.06 0.00 0.00 1.00 0.00 0.00 24 T 7.97 3.89 4.43 0.00 0.00 0.00 0.00 0.00 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 25 V 8.18 3.61 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 1.14 0.00 0.00 0.99 0.00 0.00 26 I 7.99 3.68 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.94 0.00 0.00 27 A 8.10 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 3.73 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.95 0.00 0.00 29 L 8.32 4.01 0.00 1.86 1.75 0.94 0.80 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 30 V 8.23 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 31 H 8.50 4.26 0.00 3.63 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.39 3.99 0.00 1.84 1.73 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.37 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.91 3.58 1.87 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 1.38 1.25 0.56 0.00 0.00 35 L 8.06 3.57 0.00 1.35 1.71 -1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.76 4.36 0.00 3.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.48 4.87 0.00 3.08 3.19 0.00 5.60 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.36 4.59 3.27 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 0.86 0.00 0.00 39 T 8.11 4.24 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 1.21 0.00 0.00 40 W 7.78 4.38 0.00 3.55 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 41 F 7.05 4.25 0.00 1.94 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 0.00 0.00 0.00 42 P 0.00 3.97 0.00 2.14 2.02 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 43 A 8.06 4.25 1.54 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 44 Y 8.13 4.42 0.00 3.10 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.37 0.00 3.52 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 46 Q 8.71 4.15 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.91 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 47 G 9.29 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.14 3.94 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 0.77 0.00 0.00 0.99 0.00 0.00 50 K 7.97 4.04 0.00 1.91 1.93 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 51 K 7.72 4.40 0.00 1.77 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 52 A 7.95 4.15 1.25 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 0.00 0.00 0.00 53 A 8.31 4.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00