NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.2575 8.1749 115.2113 62.2180 68.3827 172.9285 1G F 4.5625 8.4319 120.8774 56.8575 39.5068 174.7546 1F G 3.8758 8.1184 109.7148 45.4389 0.0000 174.5407 1E A 4.2605 7.8877 123.5301 51.7040 17.9617 177.4078 1D G 4.1289 7.6633 110.5022 46.7773 0.0000 171.0945 1C E 4.5810 8.2940 115.1632 56.1281 30.3007 175.8539 1B A 3.9640 8.3128 124.9335 52.9914 17.9516 178.4184 1A D 4.9592 7.6635 113.0156 51.1640 38.8910 174.3082 1 C 4.6607 7.8903 118.9549 58.2499 32.1441 176.0289 2 G 3.8167 8.9662 110.3152 45.5791 0.0000 173.6820 3 L 4.5157 6.9912 120.0918 52.4347 41.2206 175.3826 4 R 4.1398 8.1957 120.3134 55.1363 30.0385 176.6209 5 P 4.3434 0.0000 0.0000 64.5177 31.4477 176.7787 6 L 4.3505 7.8380 116.1746 54.6883 41.9523 176.2723 7 F 4.7906 7.5820 115.8870 57.4211 42.6761 176.6583 8 E 3.9554 8.5334 119.5957 59.6124 30.2298 179.2740 9 K 4.7203 7.7021 116.4578 55.4937 32.4288 177.1171 10 K 4.2833 7.9455 114.2299 57.4268 35.9350 174.6049 11 Q 3.5705 7.9906 114.8403 57.4205 27.0230 173.1192 12 V 4.3229 8.1104 117.6062 61.1263 33.3109 174.7426 13 Q 4.7781 8.5274 126.5234 54.3919 31.7624 173.6145 14 D 5.1323 8.1080 118.7923 51.0272 41.5988 177.0866 14A Q 4.2360 8.5815 120.1770 58.5620 29.0105 176.9478 14B T 4.6919 7.8218 112.1268 63.4071 70.7143 175.1536 14C E 4.1561 8.3068 124.1493 59.0247 29.8059 177.9858 14D K 3.8052 8.0646 117.9745 59.5993 31.7547 178.3881 14E E 3.9724 8.2012 118.3338 59.2810 29.6126 178.6125 14F L 4.1285 8.1860 118.9461 58.0057 41.7086 179.5033 14G F 4.5105 8.7038 117.1391 60.6243 38.8396 177.4853 14H E 4.2261 8.9093 119.3064 59.1534 29.1009 178.8251 14I S 4.2578 7.6674 112.0900 60.1388 63.1193 175.0363 14J Y 4.2556 7.3417 118.4220 59.5898 38.0410 176.5620 14K I 4.0481 7.6634 120.6868 63.4863 37.9374 176.2847 14L E 4.4160 7.8365 117.7285 57.0270 31.4544 177.7242 14M G 4.0447 8.0223 108.7345 45.7956 0.0000 173.3132 15 R 4.0767 7.9829 125.9139 56.7086 30.0056 174.0855 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 1H T 8.17 4.26 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 1.18 0.00 0.00 1G F 8.43 4.56 0.00 3.18 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 1F G 8.12 3.88 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 0.00 0.00 0.00 1E A 7.89 4.26 1.27 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 0.00 0.00 0.00 1D G 7.66 4.13 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 0.00 0.00 0.00 1C E 8.29 4.58 0.00 1.92 1.90 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 2.21 2.22 0.00 1B A 8.31 3.96 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 1A D 7.66 4.96 0.00 2.76 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 1 C 7.89 4.66 0.00 3.12 3.08 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 0.00 0.00 0.00 2 G 8.97 3.82 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 0.00 0.00 0.00 3 L 6.99 4.52 0.00 1.49 1.67 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.20 4.14 0.00 2.12 2.16 0.00 3.11 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 5 P 0.00 4.34 0.00 2.08 2.17 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 6 L 7.84 4.35 0.00 1.64 1.22 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.58 4.79 0.00 2.99 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 8 E 8.53 3.96 0.00 2.05 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 2.52 2.32 0.00 9 K 7.70 4.72 0.00 1.87 1.89 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.43 7.81 10 K 7.95 4.28 0.00 1.81 1.81 0.00 1.85 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.39 7.81 11 Q 7.99 3.57 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 V 8.11 4.32 1.96 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 0.92 0.00 0.00 0.91 0.00 0.00 13 Q 8.53 4.78 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 14 D 8.11 5.13 0.00 2.70 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 0.00 0.00 0.00 0.00 14A Q 8.58 4.24 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.50 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 14B T 7.82 4.69 4.21 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 1.20 0.00 0.00 14C E 8.31 4.16 0.00 2.25 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 14D K 8.06 3.81 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14E E 8.20 3.97 0.00 1.96 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 2.29 2.41 0.00 14F L 8.19 4.13 0.00 2.13 1.87 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14G F 8.70 4.51 0.00 3.10 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 14H E 8.91 4.23 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14I S 7.67 4.26 0.00 3.79 3.98 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 14J Y 7.34 4.26 0.00 3.08 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 14K I 7.66 4.05 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.94 0.00 0.00 14L E 7.84 4.42 0.00 2.06 1.99 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 2.23 2.26 0.00 14M G 8.02 4.04 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 0.00 0.00 0.00 15 R 7.98 4.08 0.00 1.70 1.72 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00