NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6532 8.4244 118.2150 52.0063 38.8728 172.9599 2 S 3.9527 7.4510 111.5178 56.9198 64.9234 173.3997 3 Y 4.7556 7.5404 121.9309 53.3755 38.3173 172.5546 4 P 4.1382 0.0000 0.0000 65.3465 31.8001 177.6820 5 G 4.0080 8.1072 101.4736 44.6965 0.0000 173.2191 6 C 4.3968 8.2506 115.8844 55.8492 40.6622 172.3092 7 P 4.4735 0.0000 0.0000 62.8955 31.7681 175.6921 8 S 4.7839 8.2118 111.5855 58.1822 62.5746 174.2056 9 S 4.7302 7.9753 110.6181 57.7710 64.4776 174.3855 10 Y 4.0347 8.1232 118.3452 59.2930 38.4318 173.8140 11 D 4.1606 8.1266 117.5721 56.7166 38.5875 174.5790 12 G 3.9699 7.9439 109.7420 46.4204 0.0000 170.4218 13 Y 4.2426 7.7577 121.7795 61.2344 39.7327 176.8069 14 C 4.2488 8.2125 116.6422 56.9580 40.8109 173.2192 15 L 4.6073 7.4715 123.5615 52.7510 44.3477 176.2076 16 N 3.6128 9.2933 112.6041 55.1302 35.3990 174.1572 17 G 3.7553 8.0250 112.7987 46.3081 0.0000 172.7505 18 G 3.8637 7.5514 103.5593 44.7428 0.0000 172.5312 19 V 4.2261 7.9237 127.4664 60.8421 32.6422 174.3280 20 C 4.4465 8.8227 128.9954 57.3035 40.0765 172.6962 21 M 4.6636 9.0915 125.1832 54.2217 34.9709 173.3234 22 H 4.7527 8.9576 127.4906 55.5966 30.8812 174.4167 23 I 4.0184 7.9655 128.0563 60.1889 37.5973 176.9480 24 E 3.7905 8.7590 129.1958 58.7888 29.5530 177.4064 25 S 4.1083 7.4628 112.8747 59.3513 63.1807 174.6217 26 L 3.8706 8.0907 124.8741 55.5288 42.3216 177.1039 27 D 4.3672 7.7985 115.8854 55.1601 38.2317 172.3186 28 S 4.3401 7.3485 112.2952 57.3284 66.9146 171.1459 29 Y 5.0621 8.4935 117.6215 56.4578 39.8811 175.6668 30 T 4.9640 8.7027 113.5134 60.2331 72.9992 172.0118 31 C 5.5222 8.7433 118.2115 55.2470 42.5588 172.9561 32 N 4.9642 8.5480 121.1382 52.6506 40.1270 173.2609 33 C 5.3132 8.7152 122.3055 55.1008 42.4412 173.7536 34 V 4.1125 8.1395 120.4512 61.5436 32.5431 175.1508 35 I 3.9535 8.0108 123.5252 62.0711 37.5483 175.7515 36 G 3.9275 8.8799 113.5344 45.7536 0.0000 173.1602 37 Y 5.0682 7.3135 115.7164 56.5395 39.4842 175.0743 38 S 4.7058 8.5364 115.1970 59.1493 69.0772 175.0476 39 G 3.9947 8.3126 109.4210 44.9035 0.0000 171.7230 40 D 4.4880 8.6743 118.4330 55.7268 40.7952 177.8066 41 R 3.4266 8.7776 123.4477 58.5903 27.3511 177.1294 42 C 4.9963 8.5934 110.6925 57.8083 38.8815 175.0898 43 E 3.9724 8.0543 121.0546 59.5249 29.3336 176.9999 44 H 4.3619 8.1940 118.1714 55.7196 30.6603 173.2838 45 A 4.4960 8.0457 128.1869 50.5080 20.8028 177.0287 46 D 4.8964 8.6353 126.3460 53.0620 41.1484 176.6703 47 L 3.9960 7.4199 119.3098 55.0829 42.5506 177.6266 48 L 4.4251 8.3506 121.8835 55.3460 40.9962 176.2963 49 A 3.9508 8.0117 127.6352 53.3776 18.2953 178.6626 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 N 8.42 4.65 0.00 2.80 2.96 0.00 0.00 5.81 6.74 0.00 0.00 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 S 7.45 3.95 0.00 3.70 3.57 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 3 Y 7.54 4.76 0.00 3.07 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 4 P 0.00 4.14 0.00 2.07 2.19 0.00 3.74 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 2.04 2.10 0.00 5 G 8.11 4.01 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 0.00 0.00 0.00 6 C 8.25 4.40 0.00 2.94 2.90 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 7 P 0.00 4.47 0.00 1.90 1.75 0.00 3.29 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.00 8 S 8.21 4.78 0.00 3.78 3.80 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 0.00 0.00 0.00 0.00 9 S 7.98 4.73 0.00 4.00 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 10 Y 8.12 4.03 0.00 2.84 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 11 D 8.13 4.16 0.00 2.84 2.83 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 0.00 0.00 0.00 12 G 7.94 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.76 4.24 0.00 3.09 3.15 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 14 C 8.21 4.25 0.00 3.15 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 15 L 7.47 4.61 0.00 1.31 1.47 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.29 3.61 0.00 2.10 1.66 0.00 0.00 6.95 7.60 0.00 0.00 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 G 8.03 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 18 G 7.55 3.86 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 0.00 0.00 0.00 19 V 7.92 4.23 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 0.99 0.00 0.00 0.92 0.00 0.00 20 C 8.82 4.45 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.09 4.66 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 22 H 8.96 4.75 0.00 3.33 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.97 4.02 1.79 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 1.08 1.13 0.91 0.00 0.00 24 E 8.76 3.79 0.00 1.80 1.91 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 2.27 2.33 0.00 25 S 7.46 4.11 0.00 3.99 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 26 L 8.09 3.87 0.00 1.61 1.78 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.80 4.37 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 28 S 7.35 4.34 0.00 3.77 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 29 Y 8.49 5.06 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 4.96 4.30 0.00 0.00 0.00 0.00 0.00 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 31 C 8.74 5.52 0.00 2.94 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 32 N 8.55 4.96 0.00 2.73 2.68 0.00 0.00 7.02 7.55 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 33 C 8.72 5.31 0.00 2.88 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 34 V 8.14 4.11 2.28 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 1.15 0.00 0.00 0.95 0.00 0.00 35 I 8.01 3.95 1.89 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 1.37 0.93 0.91 0.00 0.00 36 G 8.88 3.93 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 0.00 0.00 0.00 37 Y 7.31 5.07 0.00 3.04 2.87 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 38 S 8.54 4.71 0.00 3.90 3.94 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 39 G 8.31 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 0.00 0.00 0.00 40 D 8.67 4.49 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 3.43 0.00 1.79 1.70 0.00 3.12 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 42 C 8.59 5.00 0.00 3.03 3.10 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 0.00 0.00 0.00 0.00 43 E 8.05 3.97 0.00 1.92 2.05 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 2.35 2.24 0.00 44 H 8.19 4.36 0.00 3.22 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.05 4.50 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.64 4.90 0.00 2.54 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 4.00 0.00 1.52 1.50 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.35 4.43 0.00 1.71 1.70 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.01 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00