NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2709 8.2649 123.5833 51.7088 19.8240 176.5802 3 R 4.1760 8.3079 120.5210 55.8122 30.9862 174.6492 4 K 4.6487 8.4870 117.7013 56.3248 34.1165 177.7171 5 A 4.3489 8.2836 119.5941 53.5373 18.8152 179.0493 6 L 5.7148 7.3669 114.9824 53.1557 42.8830 176.1143 7 I 4.6406 7.3944 116.8666 60.1542 40.4599 177.5186 8 E 3.9638 8.3559 119.2485 59.2073 29.5043 179.3087 9 K 3.8651 8.1071 119.2350 59.0622 32.4062 177.6043 10 A 4.0358 7.6097 120.6216 54.7804 18.3626 178.1534 11 K 4.1925 7.2975 116.0542 57.9034 30.4548 179.1341 12 R 3.2659 7.9394 127.2557 57.1761 29.7354 177.5180 13 T 4.0626 8.4424 108.7600 60.4417 68.4229 172.5759 14 P 4.4889 0.0000 0.0000 62.5724 33.1454 177.1836 15 K 4.0795 8.4071 120.2884 57.3436 31.9326 176.0364 16 F 4.1726 9.3400 109.8579 59.8478 37.1628 177.1033 17 K 4.1020 7.6584 113.7193 58.1807 31.0215 174.2674 18 V 4.5843 8.2584 121.0656 63.4264 39.0146 175.6354 19 R 3.8645 7.9793 116.4414 56.9856 30.2727 176.0982 20 A 4.1533 8.4176 119.8480 52.1118 21.5352 176.2540 21 Y 4.7537 7.1522 121.6849 58.2880 37.9169 178.9464 22 T 3.0145 8.5126 118.2068 61.3104 70.5975 173.9389 23 R 4.2195 7.1551 124.4367 56.2267 30.6727 175.6407 24 C 4.5780 8.2922 118.9330 57.8357 32.4259 173.1399 25 V 3.5910 7.9277 122.0503 63.7864 31.7123 176.4980 26 R 4.6533 7.1536 120.7124 52.8289 29.8085 173.8076 27 C 4.5793 8.1951 118.2627 58.4638 38.0275 172.3537 28 G 3.9473 8.2409 108.0866 45.8528 0.0000 172.7074 29 R 4.6777 7.8109 124.1369 54.7635 31.4471 174.9138 30 A 4.2045 8.3099 123.9819 55.0473 18.8567 178.9718 31 R 4.4679 7.9856 112.6881 56.5247 30.1093 177.1443 32 S 4.6847 8.0398 111.3703 58.1161 64.4291 175.2832 33 V 4.9133 8.1595 113.7976 61.0003 34.5174 174.6118 34 Y 4.4090 8.3678 117.6046 56.5977 40.8377 176.2732 35 R 4.1588 9.3654 124.0451 59.2998 30.7558 178.4098 36 F 3.8437 8.0733 121.4871 60.7513 39.7518 176.4107 37 F 4.5111 8.3446 117.6258 57.2044 40.9179 174.8901 38 G 3.6557 9.7494 108.7370 44.0668 0.0000 172.9995 39 L 4.2936 7.3830 111.5074 54.2518 45.4199 174.7919 40 C 4.6061 8.2251 119.6291 57.8522 30.1348 174.7411 41 R 4.0360 8.5135 115.6897 57.5323 28.4510 177.6024 42 I 3.9976 7.1155 121.0475 63.4767 37.5189 175.7251 43 C 4.8061 7.8309 117.7958 58.8828 30.6485 174.8169 44 L 4.6059 8.0998 121.9982 55.6770 42.8011 178.0697 45 R 3.8895 8.2864 118.4819 59.6494 29.9152 177.6508 46 E 3.8341 8.1607 116.8603 59.3646 29.5600 178.6600 47 L 4.5301 8.9923 122.5223 56.5906 41.5389 178.4089 48 A 3.9503 7.7698 119.9445 56.0219 18.2054 178.6570 49 H 4.3339 7.9929 115.1355 57.2556 29.0738 177.8368 50 K 4.0232 7.2914 121.4859 60.2985 33.2430 176.6616 51 G 4.0796 6.8480 105.8052 46.2176 0.0000 174.0412 52 Q 4.5187 7.8491 112.5871 55.3905 31.2433 175.0266 53 L 4.6366 7.8588 118.7836 53.0239 41.9039 171.5325 54 P 4.3900 0.0000 0.0000 63.1262 30.8065 175.6249 55 G 3.7929 8.4077 118.4550 47.4080 0.0000 173.7167 56 V 4.2399 7.4329 116.5938 60.6456 32.0131 174.9303 57 R 4.2532 7.9606 124.4194 55.1106 31.8523 175.3052 58 K 4.5015 8.3082 116.5194 54.9541 33.9191 175.8026 59 A 4.6950 7.9460 123.5780 50.9730 20.7525 176.8290 60 S 4.8798 8.1294 111.2507 57.6747 65.2948 176.0261 61 W 4.2798 8.8407 123.5089 57.3861 27.1951 174.0502 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 2 A 8.26 4.27 1.28 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 0.00 0.00 3 R 8.31 4.18 0.00 1.91 1.92 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 4 K 8.49 4.65 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 A 8.28 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 5.71 0.00 1.58 1.61 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.39 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.90 0.00 0.00 8 E 8.36 3.96 0.00 2.11 2.23 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 2.38 2.28 0.00 9 K 8.11 3.87 0.00 1.74 1.83 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.28 7.81 10 A 7.61 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.30 4.19 0.00 1.90 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 12 R 7.94 3.27 0.00 1.87 1.69 0.00 3.21 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 13 T 8.44 4.06 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 14 P 0.00 4.49 0.00 2.26 2.36 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 15 K 8.41 4.08 0.00 1.98 1.92 0.00 1.92 0.00 0.00 2.21 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.48 7.81 16 F 9.34 4.17 0.00 2.99 3.06 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 17 K 7.66 4.10 0.00 1.96 2.13 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.51 7.81 18 V 8.26 4.58 2.13 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 0.78 0.00 0.00 1.04 0.00 0.00 19 R 7.98 3.86 0.00 1.86 1.99 0.00 3.36 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 20 A 8.42 4.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.15 4.75 0.00 3.09 3.03 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 22 T 8.51 3.01 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 R 7.16 4.22 0.00 1.92 2.02 0.00 3.39 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 24 C 8.29 4.58 0.00 3.02 2.93 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 25 V 7.93 3.59 2.18 0.00 0.00 0.00 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 0.94 0.00 0.00 26 R 7.15 4.65 0.00 1.75 1.86 0.00 3.28 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 27 C 8.20 4.58 0.00 2.93 2.88 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 28 G 8.24 3.95 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 0.00 0.00 0.00 29 R 7.81 4.68 0.00 1.89 1.81 0.00 3.29 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 30 A 8.31 4.20 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.99 4.47 0.00 1.82 1.98 0.00 3.31 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 32 S 8.04 4.68 0.00 3.94 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 33 V 8.16 4.91 2.20 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 0.87 0.00 0.00 1.03 0.00 0.00 34 Y 8.37 4.41 0.00 3.01 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.37 4.16 0.00 1.92 1.99 0.00 3.36 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 36 F 8.07 3.84 0.00 2.85 2.81 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 37 F 8.34 4.51 0.00 3.06 3.14 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 0.00 38 G 9.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.29 0.00 1.67 1.59 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.23 4.61 0.00 3.22 3.12 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 41 R 8.51 4.04 0.00 1.93 2.10 0.00 3.06 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 I 7.12 4.00 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 0.92 0.92 0.00 0.00 43 C 7.83 4.81 0.00 3.08 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 44 L 8.10 4.61 0.00 1.63 1.85 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.29 3.89 0.00 2.17 2.03 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 46 E 8.16 3.83 0.00 2.23 2.14 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 2.36 2.46 0.00 47 L 8.99 4.53 0.00 1.62 1.88 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.77 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.99 4.33 0.00 3.38 3.42 0.00 5.58 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 50 K 7.29 4.02 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.45 7.81 51 G 6.85 4.08 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 0.00 0.00 0.00 52 Q 7.85 4.52 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 53 L 7.86 4.64 0.00 1.80 1.80 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.22 2.21 0.00 3.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 55 G 8.41 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.43 4.24 2.10 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 0.81 0.00 0.00 1.05 0.00 0.00 57 R 7.96 4.25 0.00 1.81 1.86 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 58 K 8.31 4.50 0.00 1.80 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 59 A 7.95 4.69 1.23 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 0.00 0.00 60 S 8.13 4.88 0.00 3.88 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 61 W 8.84 4.28 0.00 3.38 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