NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5737 8.1133 121.1213 56.2294 32.0757 173.7922 2 I 4.7735 8.7663 126.0904 59.3079 40.3237 172.6579 3 C 5.2025 9.7734 124.6080 54.6666 45.0223 173.3451 4 F 5.0514 8.7646 119.8401 57.6383 39.2158 175.1851 5 N 5.5674 9.3882 117.5370 51.7191 38.7729 174.1683 6 H 4.5958 8.4804 114.2829 55.3169 30.1029 174.2269 7 Q 4.4571 8.4090 121.5578 56.4863 31.1964 176.1072 8 S 3.3560 7.7791 120.7642 60.1764 63.3384 173.1574 9 S 4.6541 8.5689 123.2493 59.2456 62.4861 173.7974 10 Q 4.2137 7.6604 119.9259 54.7087 29.0358 174.4440 11 P 4.2378 0.0000 0.0000 62.9531 31.8133 176.7381 12 Q 3.6503 8.2966 121.0628 56.1023 29.4226 175.7412 13 T 4.9950 8.2787 111.0039 60.2491 72.6410 172.5100 14 T 5.2340 8.5488 111.8766 59.8839 72.4375 172.7503 15 K 4.6129 8.8821 122.8196 54.9941 35.8121 174.9450 16 T 4.5523 8.4916 123.8379 62.8484 69.2921 175.6026 17 C 4.6987 8.9092 125.0311 56.2801 41.9774 173.7316 18 S 4.4813 8.4655 115.6794 57.2989 63.2414 172.4019 19 P 4.4316 0.0000 0.0000 64.5053 31.3050 177.3780 20 G 3.8982 8.9323 110.5730 45.2466 0.0000 172.6406 21 E 4.2719 8.1787 122.3557 55.4064 30.1271 176.5764 22 S 4.7413 8.6835 119.4370 58.2058 64.4409 173.4080 23 S 5.3023 8.5065 117.8848 57.3482 66.0235 172.1686 24 C 5.6756 9.2243 118.2513 55.5432 38.8823 172.6991 25 Y 5.4702 8.5823 117.6056 55.8509 42.0629 173.7307 26 H 5.2106 9.5139 119.3904 54.7000 33.2108 172.0100 27 K 5.4495 9.5123 125.7318 54.8300 35.5011 175.1912 28 Q 5.1421 9.5040 124.7604 54.5917 33.1429 173.5148 29 W 5.3750 8.5483 121.0966 56.2062 32.1553 172.8385 30 S 5.2781 8.9339 115.8208 56.9130 65.2939 173.4869 31 D 5.0293 8.6204 121.7543 51.4362 42.3823 176.0234 32 F 4.3613 8.7865 112.9253 59.5036 37.8570 176.4406 33 R 4.0367 8.1653 120.5067 56.1740 30.8605 177.2672 34 G 3.6988 6.4762 104.0264 45.9988 0.0000 170.0315 35 T 4.7991 7.8766 117.7149 62.0592 70.1587 174.4315 36 I 4.2131 8.3364 127.2321 59.2364 40.3171 174.5980 37 I 4.7892 7.8339 126.3889 59.3690 40.1854 174.1016 38 E 4.9584 9.4546 127.9411 54.4546 32.8933 174.7943 39 R 4.6206 8.0581 123.1513 54.7330 34.9573 175.0744 40 G 4.1160 6.4686 105.5703 46.7789 0.0000 171.9699 41 C 4.8032 9.1069 117.1852 57.2118 41.3545 174.4295 42 G 3.8466 9.3603 110.0905 44.8183 0.0000 172.7958 43 C 4.8178 8.1061 116.9933 53.6454 43.9921 171.9070 44 P 4.4497 0.0000 0.0000 61.9281 31.8188 177.1158 45 T 3.9419 7.9527 115.9278 63.3830 68.9356 175.0155 46 V 3.7442 8.1581 117.3202 61.3929 31.3226 176.1056 47 K 4.5997 8.1233 124.0856 53.3617 34.7501 174.2435 48 P 4.2522 0.0000 0.0000 63.9819 31.7130 176.7740 49 G 4.1614 8.9175 111.0752 45.4906 0.0000 173.7208 50 I 4.2425 7.0714 120.0962 60.7283 38.2327 175.7728 51 K 4.5826 9.0904 126.5417 54.9090 33.7240 175.2595 52 L 5.3530 8.5975 126.6257 53.2522 45.3097 175.3507 53 S 4.7257 9.1917 119.5101 56.8584 65.3914 171.8953 54 C 5.7821 9.0197 124.0684 55.5696 42.4873 171.9254 55 C 5.0813 8.9604 115.0255 53.5840 45.3351 173.3462 56 E 5.1132 8.5726 116.0924 54.1393 29.7888 175.2033 57 S 4.6724 7.5667 111.0885 56.2294 66.6636 173.8635 58 E 3.8965 8.8171 120.4948 58.6630 29.7448 178.1063 59 V 2.9234 8.1738 118.0523 62.3269 29.5886 172.1505 60 C 4.5457 8.0018 113.5753 56.8454 42.6081 173.7497 61 N 4.9186 8.0780 117.5980 52.6336 37.3085 174.6359 62 N 4.3752 8.4148 121.8776 53.8454 37.2892 174.5200 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 R 8.11 4.57 0.00 1.99 1.93 0.00 3.20 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 2 I 8.77 4.77 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.77 0.00 0.00 3 C 9.77 5.20 0.00 2.74 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 4 F 8.76 5.05 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.39 5.57 0.00 2.73 2.82 0.00 0.00 6.95 8.49 0.00 0.00 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 H 8.48 4.60 0.00 3.26 3.37 0.00 5.51 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.41 4.46 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.78 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 8 S 7.78 3.36 0.00 3.87 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 9 S 8.57 4.65 0.00 3.79 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 10 Q 7.66 4.21 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 11 P 0.00 4.24 0.00 2.00 1.97 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 Q 8.30 3.65 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 1.71 2.07 0.00 13 T 8.28 4.99 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 14 T 8.55 5.23 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 1.11 0.00 0.00 15 K 8.88 4.61 0.00 1.79 1.61 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.40 7.81 16 T 8.49 4.55 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 1.20 0.00 0.00 17 C 8.91 4.70 0.00 2.84 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 18 S 8.47 4.48 0.00 3.89 3.78 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 19 P 0.00 4.43 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 20 G 8.93 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 0.00 0.00 0.00 21 E 8.18 4.27 0.00 2.09 1.98 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 2.31 2.31 0.00 22 S 8.68 4.74 0.00 4.02 4.06 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 0.00 0.00 0.00 23 S 8.51 5.30 0.00 3.95 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 24 C 9.22 5.68 0.00 2.82 2.89 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 0.00 0.00 0.00 25 Y 8.58 5.47 0.00 3.09 3.23 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 0.00 26 H 9.51 5.21 0.00 3.22 3.17 0.00 5.54 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.51 5.45 0.00 2.21 2.08 0.00 1.70 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.49 7.81 28 Q 9.50 5.14 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 29 W 8.55 5.38 0.00 3.42 3.27 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 30 S 8.93 5.28 0.00 3.81 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 31 D 8.62 5.03 0.00 2.92 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 32 F 8.79 4.36 0.00 3.20 3.27 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 33 R 8.17 4.04 0.00 1.61 1.82 0.00 3.13 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 34 G 6.48 3.70 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 0.00 0.00 0.00 35 T 7.88 4.80 4.14 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 0.00 0.00 0.00 1.11 0.00 0.00 36 I 8.34 4.21 0.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.34 0.22 0.00 0.00 37 I 7.83 4.79 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.63 0.56 0.00 0.00 38 E 9.45 4.96 0.00 2.12 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 2.41 2.42 0.00 39 R 8.06 4.62 0.00 1.69 1.73 0.00 3.02 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 40 G 6.47 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.11 4.80 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.36 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 43 C 8.11 4.82 0.00 2.93 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 44 P 0.00 4.45 0.00 1.97 1.77 0.00 3.57 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.98 0.00 45 T 7.95 3.94 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 1.17 0.00 0.00 46 V 8.16 3.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 47 K 8.12 4.60 0.00 1.68 1.58 0.00 1.47 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.32 7.81 48 P 0.00 4.25 0.00 2.01 1.97 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 49 G 8.92 4.16 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 0.00 0.00 0.00 50 I 7.07 4.24 1.83 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.98 0.00 0.00 51 K 9.09 4.58 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 52 L 8.60 5.35 0.00 1.62 1.52 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.19 4.73 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 9.02 5.78 0.00 2.91 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 55 C 8.96 5.08 0.00 2.98 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 56 E 8.57 5.11 0.00 1.93 1.92 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 2.21 2.23 0.00 57 S 7.57 4.67 0.00 3.91 3.78 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 58 E 8.82 3.90 0.00 1.93 1.87 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 2.29 2.25 0.00 59 V 8.17 2.92 1.16 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 -0.12 0.00 0.00 0.76 0.00 0.00 60 C 8.00 4.55 0.00 3.10 3.28 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 0.00 0.00 0.00 0.00 61 N 8.08 4.92 0.00 3.00 2.97 0.00 0.00 6.08 8.04 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 62 N 8.41 4.38 0.00 2.72 2.62 0.00 0.00 6.06 7.56 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