NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7857 8.4449 117.8627 55.7458 31.1540 173.8911 2 D 4.4732 7.9613 118.8066 53.3217 41.7054 175.1293 3 N 4.2370 9.9895 122.1226 57.2465 39.6115 176.9128 4 Y 4.0946 8.3020 116.0290 60.1475 37.9143 177.5852 5 A 4.8939 8.5372 123.0382 54.0407 18.6199 178.5038 6 D 4.5027 7.6899 115.8610 54.6822 41.5142 176.7984 7 L 4.2099 7.0548 119.9464 54.3449 42.6120 177.3889 8 S 4.4976 8.3357 116.1671 57.4752 64.7266 174.6659 9 D 4.3834 8.6592 125.7057 58.1198 40.6510 179.5377 10 T 3.8421 7.8298 115.2885 66.7839 68.6069 176.4649 11 E 4.0089 8.0811 120.0019 59.0639 29.6003 178.9571 12 L 4.0024 8.5176 120.8779 58.4073 42.2927 179.1465 13 T 3.6384 7.9687 115.7474 66.9337 68.4061 176.5872 14 T 3.8302 7.7372 114.3381 64.8556 67.1177 176.3005 15 L 3.7652 7.6392 120.7137 57.6886 41.6221 179.3129 16 L 4.0987 7.7657 118.8655 57.6570 41.4561 179.5824 17 R 3.8016 7.7297 118.3399 59.4568 29.8355 178.3220 18 R 3.6878 7.2439 117.0239 59.4369 29.9733 177.0746 19 Y 4.3751 6.6161 112.9201 56.8424 38.6452 174.8678 20 N 4.1159 8.3134 116.6932 54.4308 36.5390 174.8827 21 I 4.3186 7.8501 118.8652 58.7460 38.4138 174.7936 22 P 4.3429 0.0000 0.0000 63.3831 31.6949 175.3393 23 H 5.1109 8.2183 115.8524 54.8651 31.7240 173.6450 24 G 4.3579 9.1855 110.4014 44.3860 0.0000 171.5820 25 P 4.2705 0.0000 0.0000 62.5037 31.9943 175.7673 26 V 4.2178 8.1826 122.7174 61.3624 32.0688 175.4168 27 V 4.5922 8.2064 125.4732 59.5385 34.5011 176.1846 28 G 4.0256 9.0228 110.9186 49.2485 0.0000 175.0063 29 S 4.2742 8.2497 114.9875 60.8414 63.2164 174.9382 30 T 4.5316 7.6240 106.9017 60.8023 69.8232 175.4714 31 R 4.1381 9.3797 124.6807 59.8407 30.0537 178.1543 32 R 3.8880 8.0221 117.9793 59.4790 30.2290 177.9319 33 L 3.8762 7.8706 119.4953 58.4720 42.0709 178.4689 34 Y 4.1832 7.6599 116.1331 61.0444 37.9268 178.1484 35 E 4.0363 8.4960 119.8050 59.2552 29.5478 179.3492 36 K 3.9203 8.1732 119.7426 59.2531 32.3440 179.0645 37 K 3.9995 7.9744 118.5783 59.6479 31.9275 179.4291 38 I 3.7516 7.7407 119.8807 64.0758 36.8704 178.2692 39 F 3.5866 7.6933 121.2549 61.0881 38.9801 176.7819 40 E 3.9971 8.1903 117.7295 59.3685 29.7374 177.9856 41 Y 3.9660 7.8266 118.9499 60.8655 38.9692 177.5488 42 E 3.7612 8.3255 119.7976 59.6532 29.2388 179.6503 43 T 3.5585 7.5621 115.2923 66.4648 68.6795 176.1888 44 Q 4.0086 7.5670 119.7899 59.2352 28.5521 179.3965 45 R 3.7734 7.4749 116.6914 59.2190 30.1296 178.8527 46 R 4.0289 7.6369 116.6655 57.9358 30.1247 177.3791 47 R 4.3038 7.8513 122.6438 56.1398 30.4862 175.7721 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 H 8.44 4.79 0.00 3.12 3.47 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.96 4.47 0.00 2.97 2.72 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 3 N 9.99 4.24 0.00 2.79 2.59 0.00 0.00 7.07 7.47 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 4 Y 8.30 4.09 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.89 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 6 D 7.69 4.50 0.00 2.73 2.72 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 7 L 7.05 4.21 0.00 1.83 1.63 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.34 4.50 0.00 3.89 3.71 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 9 D 8.66 4.38 0.00 2.79 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 10 T 7.83 3.84 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 1.19 0.00 0.00 11 E 8.08 4.01 0.00 2.12 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 2.39 2.36 0.00 12 L 8.52 4.00 0.00 1.82 1.71 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.97 3.64 4.32 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 1.19 0.00 0.00 14 T 7.74 3.83 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 1.24 0.00 0.00 15 L 7.64 3.77 0.00 2.01 1.91 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.77 4.10 0.00 1.56 1.79 0.60 0.94 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 17 R 7.73 3.80 0.00 2.07 1.83 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 18 R 7.24 3.69 0.00 1.51 1.13 0.00 3.03 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 19 Y 6.62 4.38 0.00 2.60 1.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.12 0.00 2.80 2.88 0.00 0.00 6.97 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 21 I 7.85 4.32 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.99 0.00 0.00 22 P 0.00 4.34 0.00 2.07 2.01 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 23 H 8.22 5.11 0.00 3.12 3.38 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.10 2.02 0.00 3.76 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 2.07 2.10 0.00 26 V 8.18 4.22 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 0.83 0.00 0.00 0.51 0.00 0.00 27 V 8.21 4.59 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 0.90 0.00 0.00 0.98 0.00 0.00 28 G 9.02 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.25 4.27 0.00 3.90 3.96 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 30 T 7.62 4.53 4.19 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 1.23 0.00 0.00 31 R 9.38 4.14 0.00 1.81 2.05 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 32 R 8.02 3.89 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 33 L 7.87 3.88 0.00 1.65 1.51 0.81 0.72 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 34 Y 7.66 4.18 0.00 3.34 2.97 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 35 E 8.50 4.04 0.00 2.18 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 0.00 2.49 2.66 0.00 36 K 8.17 3.92 0.00 1.77 1.87 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 37 K 7.97 4.00 0.00 2.12 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.64 7.81 38 I 7.74 3.75 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 1.07 0.00 0.00 39 F 7.69 3.59 0.00 2.87 3.05 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 0.00 0.00 0.00 40 E 8.19 4.00 0.00 2.09 2.15 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 2.36 2.35 0.00 41 Y 7.83 3.97 0.00 3.06 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 42 E 8.33 3.76 0.00 1.80 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 2.24 2.56 0.00 43 T 7.56 3.56 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 1.15 0.00 0.00 44 Q 7.57 4.01 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 45 R 7.47 3.77 0.00 1.63 1.90 0.00 3.28 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 46 R 7.64 4.03 0.00 1.83 1.92 0.00 3.02 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 47 R 7.85 4.30 0.00 1.67 1.77 0.00 3.16 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00