NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2732 8.4449 117.8353 55.7226 29.8550 176.0910 3 Y 4.6281 8.4658 128.1110 56.0084 40.4443 171.4296 4 E 4.1969 9.4681 121.5535 56.7450 30.9501 176.2303 5 E 4.6528 8.6562 120.6368 54.9599 33.2989 175.5475 6 G 3.9052 8.8268 106.0654 43.7837 0.0000 171.2946 7 P 4.2064 0.0000 0.0000 64.3002 31.4332 177.3787 8 G 3.8521 8.8792 110.0156 45.7231 0.0000 173.7377 9 K 4.4339 8.0779 117.4453 55.9427 33.7338 176.2558 10 N 4.9421 7.9118 116.0155 52.2551 37.8806 174.5243 11 I 4.4964 7.1189 110.3912 59.2199 40.4916 173.2588 12 P 4.3901 0.0000 0.0000 63.6404 31.6084 175.7834 13 F 4.9621 7.0220 113.2540 54.9220 40.7200 174.1968 14 S 4.5443 8.5121 115.9879 57.5996 63.1919 174.1987 15 V 4.5033 7.9645 119.2263 61.1413 32.3742 176.6975 16 E 3.9781 8.1652 123.5881 58.1607 29.7417 176.9863 17 N 4.9194 7.8626 117.2518 51.0093 41.5553 174.8857 18 K 3.7051 8.4284 128.0681 59.4847 32.6723 178.8647 19 W 4.5071 7.7619 119.7286 59.2148 29.2818 178.3804 20 R 4.0365 8.6285 119.0138 59.0832 29.4371 178.2725 21 L 3.9434 8.2220 120.6548 58.0055 42.0644 178.6564 22 L 3.9603 7.9253 120.0904 58.1065 42.0175 178.8584 23 A 4.0426 8.0035 120.2108 55.3706 18.2615 179.4803 24 M 3.9651 8.1932 117.1945 58.9922 32.1027 178.9717 25 M 3.9668 8.3316 119.0761 58.6980 32.0498 179.0555 26 T 4.0288 8.2072 116.0136 66.5434 68.5712 176.8747 27 L 4.0165 8.0560 121.0092 57.9615 41.5670 178.8081 28 F 4.1073 8.4735 120.8906 61.6660 39.2679 177.2028 29 F 4.3503 8.6053 117.3340 60.3427 38.8296 178.1977 30 G 3.7556 8.5552 105.9989 47.7055 0.0000 175.9539 31 S 4.2555 8.4154 117.0085 61.0895 62.7730 176.8327 32 G 3.5532 7.5130 108.5393 47.5859 0.0000 175.2199 33 F 4.4257 8.2728 122.0075 60.7368 39.6290 176.6932 34 A 4.4524 8.6422 120.3954 54.4346 18.2861 179.0725 35 A 4.0298 8.1031 119.8672 55.4265 18.4152 178.0787 36 P 4.1172 0.0000 0.0000 65.6963 31.3461 178.8531 37 F 3.8974 7.9414 116.0903 60.5471 38.7902 177.5034 38 F 4.0685 8.3572 116.8368 60.0513 38.6384 178.0632 39 I 3.8180 7.9552 120.0019 64.1927 36.9128 178.5027 40 V 3.5292 7.8550 119.1944 65.9055 31.3473 178.0561 41 R 3.8301 8.0341 118.4922 59.5002 29.7074 177.7887 42 H 4.1253 8.4824 118.3564 59.7032 29.6755 177.3080 43 Q 3.8500 8.1849 118.4401 58.8532 28.1212 178.5054 44 L 4.1589 8.0065 120.1495 57.1867 41.5056 178.4496 45 L 4.1099 7.7048 116.2996 55.4711 41.8842 178.2740 46 K 4.1919 7.4171 118.4994 56.6016 32.4429 176.5208 47 K 3.9393 7.1192 124.5867 57.2466 33.9965 173.7199 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 H 8.44 4.27 0.00 3.04 2.29 0.00 5.82 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.47 4.63 0.00 3.06 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.47 4.20 0.00 1.98 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 2.34 2.28 0.00 5 E 8.66 4.65 0.00 1.91 1.81 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 2.22 2.46 0.00 6 G 8.83 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 7 P 0.00 4.21 0.00 2.02 2.01 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.08 4.43 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 10 N 7.91 4.94 0.00 2.77 2.85 0.00 0.00 5.84 7.81 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 11 I 7.12 4.50 0.82 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.26 0.68 0.00 0.00 12 P 0.00 4.39 0.00 2.20 2.16 0.00 3.60 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 2.15 1.98 0.00 13 F 7.02 4.96 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.54 0.00 3.84 3.81 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 15 V 7.96 4.50 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 0.87 0.00 0.00 0.86 0.00 0.00 16 E 8.17 3.98 0.00 1.93 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 2.29 0.00 17 N 7.86 4.92 0.00 2.77 2.65 0.00 0.00 6.96 7.31 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 18 K 8.43 3.71 0.00 1.50 1.71 0.00 0.86 0.00 0.00 1.08 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.68 0.21 7.81 19 W 7.76 4.51 0.00 3.63 3.29 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 0.00 0.00 0.00 0.00 20 R 8.63 4.04 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 21 L 8.22 3.94 0.00 1.84 1.70 1.04 0.82 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 22 L 7.93 3.96 0.00 2.00 2.01 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.00 4.04 1.47 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 0.00 0.00 24 M 8.19 3.97 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 25 M 8.33 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 26 T 8.21 4.03 4.56 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 0.00 0.00 0.00 1.26 0.00 0.00 27 L 8.06 4.02 0.00 1.93 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.47 4.11 0.00 2.85 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 29 F 8.61 4.35 0.00 3.38 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 30 G 8.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.26 0.00 4.02 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 32 G 7.51 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.27 4.43 0.00 3.09 3.21 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 34 A 8.64 4.45 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 0.00 0.00 35 A 8.10 4.03 1.41 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 0.00 0.00 0.00 36 P 0.00 4.12 0.00 1.64 1.85 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 37 F 7.94 3.90 0.00 3.22 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.36 4.07 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.82 1.99 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 1.42 0.94 0.91 0.00 0.00 40 V 7.86 3.53 2.14 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 0.93 0.00 0.00 0.81 0.00 0.00 41 R 8.03 3.83 0.00 1.84 2.02 0.00 2.99 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 42 H 8.48 4.13 0.00 3.40 3.48 0.00 5.84 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 43 Q 8.18 3.85 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 L 8.01 4.16 0.00 1.83 1.69 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.70 4.11 0.00 1.62 1.70 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.42 4.19 0.00 1.75 1.81 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 47 K 7.12 3.94 0.00 1.94 1.67 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.12 7.81