NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1032 8.1200 121.1852 56.6389 34.2756 177.6080 3 L 3.7865 7.8590 119.9625 57.6364 41.9115 177.2422 4 S 4.1093 8.8594 116.0035 61.8500 63.2899 175.8695 5 E 3.9808 8.2031 120.5382 59.3891 29.1800 179.5515 6 V 3.5662 7.8981 118.1793 66.0464 31.6634 177.8773 7 R 3.8922 8.1094 117.9761 59.5329 29.8637 178.6890 8 K 4.4307 7.8211 117.8624 57.5913 32.4226 178.2210 9 Q 4.0973 8.3462 120.4376 59.8112 29.2148 177.4620 10 L 4.0001 7.8769 119.4687 57.9821 41.1549 179.0927 11 E 4.0162 8.0653 117.9114 60.0899 29.2848 178.1850 12 E 4.2027 8.7181 119.1496 56.7237 29.1440 178.9746 13 A 3.9372 7.9247 121.5439 55.9011 19.0986 179.7140 14 R 3.9366 7.7848 115.3118 58.0284 31.3363 177.4315 15 K 4.6909 8.4859 117.1374 56.0685 32.1975 175.4465 16 L 4.4071 8.2183 118.6355 55.2422 44.8008 177.7600 17 S 4.2898 8.4089 113.0776 58.7736 62.3765 166.7009 18 P 3.9337 0.0000 0.0000 65.3401 31.1358 178.2899 19 V 3.4935 7.6322 116.3740 66.5141 31.7810 178.2395 20 E 4.0238 8.1570 118.2670 58.8260 29.3321 178.4505 21 L 4.0212 8.2382 119.0411 58.2638 41.9880 178.7054 22 E 3.9978 9.0037 118.8292 59.0951 29.2437 179.6352 23 K 4.0302 8.1924 117.7902 59.7287 32.2224 178.5522 24 L 4.1283 7.7124 122.0453 57.6264 41.9667 178.6831 25 V 3.5928 8.0939 117.8976 66.5753 31.0556 178.3290 26 R 3.8988 7.8814 116.7400 59.4415 30.1359 178.5483 27 E 3.9686 8.0764 117.8004 59.4816 29.4210 179.1510 28 K 3.9577 8.4452 117.5229 59.8252 32.4220 179.0235 29 K 4.1549 9.0162 119.7647 59.4747 31.9594 179.6845 30 R 4.0153 7.6619 115.7822 59.2381 29.2533 178.7375 31 E 4.4884 8.2034 120.8086 58.5873 29.2625 178.7312 32 L 3.9064 7.9121 120.8288 58.0711 42.2570 178.2305 33 M 4.0218 8.1310 117.5064 59.0637 32.0658 177.8521 34 E 3.9760 8.5247 118.6135 59.7197 29.1534 179.5803 35 L 4.0278 7.8769 118.6854 57.6815 41.8062 179.2514 36 R 4.1133 8.7416 119.6690 59.8779 29.5516 178.5950 37 F 3.9524 9.0223 117.5510 60.2252 38.6551 177.4921 38 Q 4.1818 7.8853 116.1562 57.9002 28.7963 177.7730 39 A 4.1679 9.0047 122.2441 55.1146 18.6383 179.5259 40 S 4.1799 7.8996 112.5647 61.5968 63.0205 176.4464 41 I 3.9012 7.2052 115.0832 60.9615 37.2127 176.1105 42 G 4.2295 7.5965 113.4033 46.1572 0.0000 172.6530 43 Q 3.8471 7.7449 122.5118 55.8864 28.2348 175.5025 44 L 3.9314 8.0644 123.5222 53.6468 41.1807 174.2152 45 S 5.2692 7.7352 125.0309 58.6836 63.0277 176.5573 46 Q 4.6890 7.8877 132.2517 57.5304 30.5067 178.6425 47 N 3.9175 8.5585 120.9234 54.6233 39.3556 178.2175 48 H 3.8938 8.8221 124.0094 59.0778 30.4777 175.8954 49 K 3.6151 7.4728 121.0111 59.0356 31.8315 178.6370 50 I 3.7366 8.3915 120.5688 64.0584 37.1455 178.3015 51 R 3.8906 7.9361 116.2326 59.6873 29.1549 177.8919 52 D 4.3950 8.7262 121.1440 56.9236 40.9089 179.0689 53 L 3.8944 7.8242 120.0161 58.1735 42.1555 178.7250 54 K 3.8531 8.5936 118.8092 60.0656 31.9842 179.3246 55 R 4.0916 8.2623 117.9132 58.9668 29.9962 178.9553 56 Q 3.9738 7.9635 117.9492 59.1540 28.7696 178.7095 57 I 3.6530 7.8233 120.4714 64.6408 37.1047 178.0974 58 A 3.9250 7.5548 119.5799 55.3321 18.3361 179.5551 59 R 3.8811 8.3402 116.7525 59.7398 30.2157 179.3250 60 L 4.0160 8.5526 118.6569 57.8425 41.4432 179.6079 61 L 4.3141 7.7093 117.6634 57.6000 41.6602 179.5910 62 T 4.0310 8.1755 116.5810 66.4818 68.4959 176.7655 63 V 3.5473 7.7744 120.1284 66.1986 31.3540 177.6320 64 L 3.9622 8.1464 118.5321 57.9112 41.9779 178.3398 65 N 4.5890 8.2975 116.6230 55.8031 38.8244 176.8657 66 E 3.9836 8.2605 117.0302 59.6127 29.0708 179.0561 67 K 4.1535 8.0948 119.0426 58.8326 33.2998 177.7436 68 R 4.5431 7.5168 118.4343 54.7152 28.1832 175.3706 69 R 4.8210 7.5341 115.3676 56.7207 37.7400 176.4017 70 Q 4.5803 8.0415 111.9547 55.3733 30.1886 174.9512 71 N 4.9811 7.7762 114.8303 52.3579 38.0488 174.1612 72 A 4.2262 8.1985 127.0751 53.3035 18.9726 178.1033 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 K 8.12 5.10 0.00 1.86 1.87 0.00 1.64 0.00 0.00 2.02 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.86 3.79 0.00 1.83 1.65 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.86 4.11 0.00 3.90 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 5 E 8.20 3.98 0.00 2.20 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 2.41 2.38 0.00 6 V 7.90 3.57 2.24 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 1.00 0.00 0.00 0.98 0.00 0.00 7 R 8.11 3.89 0.00 2.00 1.99 0.00 3.18 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 8 K 7.82 4.43 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 9 Q 8.35 4.10 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 10 L 7.88 4.00 0.00 1.88 1.71 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.07 4.02 0.00 2.18 2.02 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 2.33 2.60 0.00 12 E 8.72 4.20 0.00 2.25 1.81 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 2.56 2.47 0.00 13 A 7.92 3.94 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 14 R 7.78 3.94 0.00 1.87 2.04 0.00 3.11 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 15 K 8.49 4.69 0.00 1.78 1.81 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.36 7.81 16 L 8.22 4.41 0.00 1.90 1.70 0.92 1.34 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 17 S 8.41 4.29 0.00 3.94 4.11 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 18 P 0.00 3.93 0.00 2.20 1.98 0.00 3.69 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 2.12 2.19 0.00 19 V 7.63 3.49 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 1.03 0.00 0.00 0.93 0.00 0.00 20 E 8.16 4.02 0.00 2.07 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 2.37 2.39 0.00 21 L 8.24 4.02 0.00 1.79 1.72 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.00 4.00 0.00 2.08 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 2.33 2.51 0.00 23 K 8.19 4.03 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.77 7.81 24 L 7.71 4.13 0.00 1.82 1.91 0.92 0.74 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 25 V 8.09 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 0.98 0.00 0.00 0.96 0.00 0.00 26 R 7.88 3.90 0.00 2.07 1.98 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 27 E 8.08 3.97 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 2.32 2.72 0.00 28 K 8.45 3.96 0.00 1.82 1.92 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.67 7.81 29 K 9.02 4.15 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.60 7.81 30 R 7.66 4.02 0.00 2.03 2.19 0.00 2.76 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 31 E 8.20 4.49 0.00 2.23 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 2.33 2.17 0.00 32 L 7.91 3.91 0.00 1.75 1.74 0.94 0.88 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 33 M 8.13 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.07 0.00 34 E 8.52 3.98 0.00 2.23 2.02 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 2.32 2.32 0.00 35 L 7.88 4.03 0.00 1.90 1.73 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.74 4.11 0.00 2.04 1.97 0.00 2.99 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 37 F 9.02 3.95 0.00 3.37 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 Q 7.89 4.18 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 39 A 9.00 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.18 0.00 4.02 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 41 I 7.21 3.90 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.72 0.96 0.00 0.00 42 G 7.60 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 0.00 0.00 0.00 0.00 43 Q 7.74 3.85 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 5.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 8.06 3.93 0.00 1.83 1.75 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.74 5.27 0.00 4.09 4.05 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 46 Q 7.89 4.69 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.05 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 47 N 8.56 3.92 0.00 2.95 2.09 0.00 0.00 6.78 8.16 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 48 H 8.82 3.89 0.00 3.52 3.54 0.00 5.50 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 49 K 7.47 3.62 0.00 1.81 1.86 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.25 1.46 7.81 50 I 8.39 3.74 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 1.58 0.74 0.91 0.00 0.00 51 R 7.94 3.89 0.00 2.04 2.21 0.00 3.02 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 52 D 8.73 4.40 0.00 2.76 2.78 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 53 L 7.82 3.89 0.00 2.01 1.78 0.91 0.67 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 54 K 8.59 3.85 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.63 7.81 55 R 8.26 4.09 0.00 2.01 1.97 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 Q 7.96 3.97 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 57 I 7.82 3.65 1.93 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 1.72 0.85 0.91 0.00 0.00 58 A 7.55 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.34 3.88 0.00 2.08 2.02 0.00 3.13 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 1.66 1.70 0.00 60 L 8.55 4.02 0.00 1.79 1.71 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.71 4.31 0.00 1.86 1.73 0.92 0.95 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 62 T 8.18 4.03 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 1.21 0.00 0.00 63 V 7.77 3.55 2.26 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 0.99 0.00 0.00 1.00 0.00 0.00 64 L 8.15 3.96 0.00 1.82 1.86 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.30 4.59 0.00 2.99 2.83 0.00 0.00 6.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 3.98 0.00 2.11 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 2.48 2.51 0.00 67 K 8.09 4.15 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.63 7.81 68 R 7.52 4.54 0.00 1.82 1.90 0.00 3.34 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 69 R 7.53 4.82 0.00 1.75 1.90 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.89 0.00 70 Q 8.04 4.58 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.50 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 71 N 7.78 4.98 0.00 2.73 2.86 0.00 0.00 6.88 7.14 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 72 A 8.20 4.23 1.25 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 0.00 0.00