NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6693 8.2076 120.3358 53.6156 41.8352 177.2709 2 Y 4.0018 8.5129 118.8450 59.6244 37.6310 177.1169 3 L 3.6178 7.1601 121.6552 57.1545 42.0328 180.7765 4 R 3.9216 7.7037 117.7267 59.0424 30.0875 178.4681 5 E 3.9963 8.4397 118.7877 59.4844 29.3962 179.5636 6 L 3.9647 7.7715 118.7806 57.7793 41.7797 179.2939 7 L 3.9359 7.8827 120.3197 57.8476 41.9873 178.9391 8 K 3.9037 8.4742 120.0872 59.4384 32.2249 178.2358 9 L 3.9545 8.4110 120.9560 58.6793 41.7909 178.9658 10 E 4.1013 8.3981 118.2264 59.1068 29.3705 179.3228 11 L 3.9868 8.0599 119.3239 57.7923 41.6968 179.2316 12 Q 4.0876 8.3008 119.7221 59.0311 28.9303 178.5790 13 G 3.6197 8.1544 106.9096 47.7848 0.0000 175.5498 14 I 3.8005 8.1907 121.6412 63.5151 37.9667 177.7729 15 K 3.8668 8.0747 120.5600 59.8287 32.0720 178.8305 16 Q 3.9512 8.0558 118.1710 59.1138 28.5678 178.3546 17 Y 4.0681 8.6484 118.1713 61.0489 37.6373 178.7930 18 R 3.9287 8.0840 118.3365 59.2042 30.4603 178.6826 19 E 3.7703 8.2233 118.1278 59.2518 29.4732 179.1324 20 A 3.8384 8.2135 121.0760 55.0769 18.1955 179.1031 21 L 4.3425 7.6521 115.0069 56.4167 41.8865 178.6895 22 E 4.1414 7.6469 118.8175 59.2604 29.6529 178.1221 23 Y 4.5951 7.2806 115.7750 59.6687 38.4855 176.5042 24 V 4.4945 7.2983 117.3678 59.9502 34.5823 174.2089 25 K 4.2624 8.5646 122.7434 55.7963 32.5130 177.1695 26 L 4.4079 8.0897 124.6160 52.3543 43.1861 172.8678 27 P 4.2922 0.0000 0.0000 65.1905 31.3393 178.2168 28 V 3.6635 7.8036 117.4984 64.7276 31.2083 178.2247 29 L 4.0103 8.1788 119.4466 57.6224 41.5568 179.2852 30 A 3.9773 7.9231 120.4700 54.7207 18.1647 179.8427 31 K 3.9321 7.7832 117.0294 59.4580 32.1391 179.4467 32 I 3.5000 7.5261 120.2687 64.0817 36.8919 178.0748 33 L 3.6206 7.6760 121.2665 57.9177 41.7344 178.6564 34 E 3.7544 7.8483 118.6818 59.3711 29.5554 178.2495 35 D 4.1125 7.5606 118.4760 57.6491 40.8646 179.0213 36 E 3.6462 7.9190 118.7513 59.1499 29.3700 179.2105 37 E 3.8153 8.1090 118.7649 59.2123 29.5505 179.1939 38 K 3.3454 7.3819 119.1269 59.7214 32.1021 178.2895 39 H 4.0285 7.7553 116.3215 58.9543 28.5022 177.8854 40 I 3.6855 7.7570 121.4415 64.2130 36.8687 177.7496 41 E 4.0745 7.9025 120.1274 59.4809 29.4310 178.8575 42 W 4.5215 8.4869 118.9939 60.1323 29.1186 178.6166 43 L 4.1259 8.3468 118.8058 57.5914 40.7892 179.3914 44 E 3.9589 8.2377 118.2291 59.6296 29.4987 178.9395 45 T 4.0613 7.9877 114.7666 67.0869 68.6900 176.2046 46 I 3.8346 7.5842 119.8233 65.3338 37.5025 177.1559 47 L 4.5070 7.9551 118.7268 53.4039 44.9940 177.2167 48 G 3.9799 8.7647 108.2567 46.9798 0.0000 173.2789 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 D 8.21 4.67 0.00 2.90 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 2 Y 8.51 4.00 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 7.16 3.62 0.00 1.30 1.49 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.70 3.92 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 5 E 8.44 4.00 0.00 2.22 2.04 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 2.51 2.55 0.00 6 L 7.77 3.96 0.00 1.87 1.71 0.95 0.56 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 7 L 7.88 3.94 0.00 1.76 1.78 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.47 3.90 0.00 1.83 2.02 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 9 L 8.41 3.95 0.00 1.76 1.84 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.40 4.10 0.00 2.03 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 2.47 2.52 0.00 11 L 8.06 3.99 0.00 1.85 1.71 0.92 0.47 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 12 Q 8.30 4.09 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 13 G 8.15 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 0.00 0.00 0.00 14 I 8.19 3.80 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.96 0.00 0.00 15 K 8.07 3.87 0.00 1.88 2.01 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 16 Q 8.06 3.95 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 17 Y 8.65 4.07 0.00 3.01 2.92 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 18 R 8.08 3.93 0.00 1.98 1.95 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 19 E 8.22 3.77 0.00 1.98 1.64 0.00 0.00 0.00 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 2.29 0.00 20 A 8.21 3.84 1.32 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 0.00 0.00 21 L 7.65 4.34 0.00 1.73 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.65 4.14 0.00 1.77 1.93 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 2.26 2.42 0.00 23 Y 7.28 4.60 0.00 2.95 2.92 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 24 V 7.30 4.49 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 0.80 0.00 0.00 0.96 0.00 0.00 25 K 8.56 4.26 0.00 1.78 1.81 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 26 L 8.09 4.41 0.00 1.70 1.52 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.29 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 28 V 7.80 3.66 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 0.86 0.00 0.00 0.93 0.00 0.00 29 L 8.18 4.01 0.00 1.82 1.88 0.99 0.69 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 30 A 7.92 3.98 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 31 K 7.78 3.93 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 32 I 7.53 3.50 1.54 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.07 0.00 0.00 33 L 7.68 3.62 0.00 1.83 1.62 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.85 3.75 0.00 2.02 2.09 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 2.20 2.26 0.00 35 D 7.56 4.11 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.65 0.00 1.91 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 2.20 2.22 0.00 37 E 8.11 3.82 0.00 2.01 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 2.25 2.35 0.00 38 K 7.38 3.35 0.00 1.38 1.47 0.00 1.28 0.00 0.00 1.22 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.38 7.81 39 H 7.76 4.03 0.00 3.25 3.29 0.00 5.69 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 40 I 7.76 3.69 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.89 0.00 0.00 41 E 7.90 4.07 0.00 2.15 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 2.35 2.35 0.00 42 W 8.49 4.52 0.00 3.54 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 43 L 8.35 4.13 0.00 1.88 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.24 3.96 0.00 2.20 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 2.35 2.54 0.00 45 T 7.99 4.06 4.53 0.00 0.00 0.00 0.00 0.00 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 46 I 7.58 3.83 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.88 0.00 0.00 47 L 7.96 4.51 0.00 1.78 1.63 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.76 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 0.00 0.00 0.00