NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1033 8.0544 120.4162 62.8005 32.3409 174.1228 7 D 4.8406 8.7483 126.9515 52.4487 42.9881 174.9523 8 C 5.0064 8.7736 123.6444 56.8809 42.8544 174.8311 9 S 4.2810 8.5230 116.3539 61.6739 61.9575 176.4431 10 E 4.2772 8.2522 114.5195 56.7296 29.1992 175.5833 11 Y 4.5267 7.9725 116.8154 55.9374 40.8201 173.7494 12 P 5.2761 0.0000 0.0000 62.3013 32.4123 175.5110 13 K 4.5710 9.1901 117.9580 53.7012 34.7915 176.1597 14 P 4.0557 0.0000 0.0000 64.8933 31.5957 175.9005 15 A 4.6829 7.1769 119.8799 51.3827 22.2442 174.6552 16 C 5.1063 8.3075 116.4666 55.0818 44.1514 174.5971 17 T 4.2797 8.3247 112.3192 61.9889 69.4911 173.9602 18 H 5.0946 8.3230 117.8415 55.3197 29.3422 174.9691 19 E 4.2949 8.1634 116.2349 55.9363 30.8400 175.3246 20 Y 4.8340 8.4243 121.2932 56.4936 39.6037 176.0146 21 R 4.5898 8.6151 127.7535 53.7765 32.5718 172.7641 22 P 4.7036 0.0000 0.0000 62.6173 33.0371 175.6293 23 L 5.0013 8.9301 120.7353 53.1114 46.2983 174.5334 24 C 4.8802 8.8017 122.8771 54.9587 45.2308 173.6912 25 G 4.6230 8.9610 114.3307 45.1795 0.0000 174.5222 26 S 4.7033 9.3888 114.7495 59.6252 63.0638 174.7439 27 D 4.6488 8.1353 119.7526 52.9298 39.3920 176.2726 28 N 4.2630 8.1836 114.9569 54.1015 36.9026 173.3248 29 K 4.4591 8.2677 120.5076 55.0935 34.1797 175.5803 30 T 4.6270 8.3427 124.1863 63.6190 69.2717 173.4595 31 Y 4.3336 9.5075 125.6247 56.3289 39.4314 177.5221 32 G 3.6610 9.0897 113.1338 48.4562 0.0000 172.3999 33 N 5.2717 7.5909 117.1018 51.7138 40.8510 175.1195 34 K 3.9580 8.4115 120.8168 59.7487 32.1904 179.0042 35 C 4.6873 8.2727 119.6730 59.0802 38.4404 174.7885 36 N 4.3291 8.8411 118.9010 56.7183 38.5965 176.4524 37 F 3.5091 8.3601 121.9047 61.5346 39.4855 176.4502 38 C 3.7007 8.4472 116.2440 59.7991 39.2259 175.9597 39 N 4.2459 8.0482 117.9264 56.0380 38.0342 177.3402 40 A 3.8540 7.6070 122.0242 54.9280 18.4340 179.6591 41 V 3.1384 7.0636 116.7632 65.9937 31.4316 178.3600 42 V 3.4771 7.4395 117.6940 66.1339 31.2080 177.5540 43 E 4.0330 8.1556 118.0065 58.9957 29.6997 177.9664 44 S 4.3759 8.0634 112.4497 57.5177 63.1345 173.6783 45 N 4.3512 9.1344 119.9424 55.0956 37.5447 174.7192 46 G 3.8899 8.1969 102.1823 45.7499 0.0000 175.3833 47 T 4.1334 7.5095 110.3748 62.5628 69.5324 175.0693 48 L 4.2614 7.6613 124.5531 54.5020 42.8676 175.3372 49 T 4.8811 8.6078 114.7787 59.5724 73.0276 172.2234 50 L 4.1990 8.4436 124.0780 55.1540 42.4254 176.3042 51 S 4.4729 9.1394 123.8361 60.5749 63.9910 173.7205 52 H 4.6173 7.1283 112.1090 54.9398 31.1373 172.7872 53 F 4.3630 8.7525 117.9284 58.0869 39.5851 176.2205 54 G 3.9203 8.5118 110.3023 44.1564 0.0000 173.2130 55 K 4.2332 8.0293 117.1716 56.4358 33.4006 177.7879 56 C 4.5097 8.8828 117.3515 57.4922 41.0516 173.7868 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 6 V 8.05 4.10 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 1.00 0.00 0.00 1.08 0.00 0.00 7 D 8.75 4.84 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 8 C 8.77 5.01 0.00 2.94 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 9 S 8.52 4.28 0.00 4.11 3.99 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 10 E 8.25 4.28 0.00 1.94 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 2.32 2.26 0.00 11 Y 7.97 4.53 0.00 3.27 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 12 P 0.00 5.28 0.00 2.23 2.12 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.19 4.57 0.00 1.78 1.62 0.00 1.22 0.00 0.00 1.49 0.00 0.00 2.57 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.01 0.58 7.81 14 P 0.00 4.06 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.62 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 15 A 7.18 4.68 1.20 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 0.00 0.00 16 C 8.31 5.11 0.00 2.94 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 17 T 8.32 4.28 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 18 H 8.32 5.09 0.00 3.20 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.16 4.29 0.00 2.14 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 2.32 2.27 0.00 20 Y 8.42 4.83 0.00 2.88 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 21 R 8.62 4.59 0.00 1.65 1.73 0.00 3.17 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 22 P 0.00 4.70 0.00 1.95 1.63 0.00 3.34 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 23 L 8.93 5.00 0.00 1.40 1.09 0.50 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.80 4.88 0.00 2.87 2.57 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 0.00 0.00 0.00 0.00 25 G 8.96 4.62 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 26 S 9.39 4.70 0.00 3.99 4.07 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 27 D 8.14 4.65 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.18 4.26 0.00 2.94 2.99 0.00 0.00 6.74 7.11 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 29 K 8.27 4.46 0.00 1.76 1.68 0.00 1.45 0.00 0.00 1.01 0.00 0.00 2.52 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.66 1.15 7.81 30 T 8.34 4.63 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 31 Y 9.51 4.33 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.09 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 0.00 0.00 0.00 33 N 7.59 5.27 0.00 2.98 3.07 0.00 0.00 6.37 7.32 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 34 K 8.41 3.96 0.00 1.89 1.90 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.19 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.58 7.81 35 C 8.27 4.69 0.00 3.20 3.32 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 36 N 8.84 4.33 0.00 3.11 3.14 0.00 0.00 6.88 8.55 0.00 0.00 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 F 8.36 3.51 0.00 3.09 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 38 C 8.45 3.70 0.00 1.51 1.58 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 39 N 8.05 4.25 0.00 2.98 2.88 0.00 0.00 6.85 7.10 0.00 0.00 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 A 7.61 3.85 1.12 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 0.00 0.00 0.00 0.00 0.00 41 V 7.06 3.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 -0.04 0.00 0.00 42 V 7.44 3.48 2.22 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 0.98 0.00 0.00 1.00 0.00 0.00 43 E 8.16 4.03 0.00 2.04 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 0.00 2.31 2.31 0.00 44 S 8.06 4.38 0.00 4.03 4.12 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 0.00 0.00 0.00 45 N 9.13 4.35 0.00 2.79 2.88 0.00 0.00 7.15 7.59 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 46 G 8.20 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 47 T 7.51 4.13 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 1.23 0.00 0.00 48 L 7.66 4.26 0.00 1.51 1.38 1.04 0.25 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 49 T 8.61 4.88 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 1.21 0.00 0.00 50 L 8.44 4.20 0.00 1.31 1.39 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.14 4.47 0.00 3.86 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 52 H 7.13 4.62 0.00 3.18 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.75 4.36 0.00 3.06 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 54 G 8.51 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 0.00 0.00 0.00 55 K 8.03 4.23 0.00 1.93 1.90 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 C 8.88 4.51 0.00 2.96 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