NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6901 8.3393 109.7397 47.4824 0.0000 176.0153 2 R 3.2936 7.9534 121.1218 57.2441 27.5375 174.3764 3 R 4.0901 7.3388 119.7933 55.8608 32.2265 176.6856 4 P 4.4263 0.0000 0.0000 61.7300 32.3808 175.5155 5 R 3.8757 8.2827 118.2093 57.0028 28.7974 175.7641 6 T 4.0293 8.0930 121.1554 63.0357 69.2696 174.0768 7 A 4.2657 7.9489 126.1176 50.2702 22.4283 174.7719 8 F 5.1632 7.7787 116.5487 55.9459 42.9773 174.8532 9 T 4.0615 8.3917 114.7949 62.4129 67.7273 175.3934 10 Q 4.0675 8.6809 127.4882 58.8267 28.8573 177.7438 11 N 4.5297 7.9426 116.3856 55.5599 38.7186 175.5614 12 Q 4.1455 8.0481 120.6007 58.3798 29.8116 177.1404 13 I 3.6751 7.7803 120.5858 64.5285 37.2564 178.0705 14 E 4.2551 8.5217 118.4171 59.1659 29.2427 179.4917 15 V 3.5218 7.5880 118.9724 65.8243 31.6824 177.8108 16 L 3.5802 7.1405 117.9662 57.6028 41.2254 178.8866 17 E 4.3184 8.6110 118.7723 60.2387 29.3497 179.5111 18 N 4.5758 8.1761 114.5873 55.5715 38.8626 177.6982 19 V 3.8320 7.9578 120.4539 66.1228 31.5693 177.6404 20 F 4.8584 9.0260 120.8144 61.5084 38.8488 177.0077 21 R 3.9252 7.9300 117.1142 59.4431 30.0259 178.8006 22 V 4.0421 7.8010 116.2196 64.4704 32.0460 175.9111 23 N 4.8624 7.5792 120.2983 50.7266 37.7072 174.5295 24 C 3.7280 8.4900 122.5511 62.0002 28.4119 173.8176 25 Y 4.7185 7.4561 120.8324 55.4473 39.6105 172.5424 26 P 4.3413 0.0000 0.0000 62.0711 32.7700 175.9269 27 G 3.9153 7.8594 105.0809 43.0552 0.0000 174.4917 28 I 3.6781 7.9490 119.9097 64.5072 36.9281 178.5385 29 D 4.5035 7.9877 119.2126 57.2825 40.6307 178.7498 30 I 3.7548 7.6121 120.0698 64.0543 37.1271 178.2603 31 L 3.9946 7.8120 119.8959 57.9119 41.4230 179.3576 32 E 3.9520 8.6779 118.8170 59.2972 29.4126 178.8029 33 D 4.3057 8.3979 118.3836 57.5125 41.2541 178.4301 34 L 3.9225 8.0884 119.1099 57.5783 41.4582 179.2402 35 A 4.1878 8.2123 122.3656 54.9464 18.1710 179.8752 36 Q 3.9542 8.1484 115.0911 58.6055 28.7376 179.0367 37 K 4.1070 7.6732 118.8874 59.3381 32.5475 179.0677 38 L 4.0060 8.0906 116.9798 54.5057 42.9822 176.5612 39 N 4.0621 7.9145 115.2549 54.2766 36.7842 172.3333 40 L 4.8369 7.8672 119.6621 51.7173 46.4955 176.0146 41 E 4.3942 8.3789 118.7785 55.3988 32.2707 176.9571 42 L 3.9291 8.5698 122.8801 58.6742 41.9080 178.7953 43 D 4.3861 8.2104 117.1124 57.7186 41.0988 178.4382 44 R 4.0637 8.0776 117.7794 59.5387 30.1085 179.0111 45 I 4.0780 7.8599 119.3589 64.1326 37.0330 178.3658 46 Q 4.2122 8.8055 119.5174 59.3697 28.6192 179.0059 47 I 3.7770 8.2383 120.9297 64.1491 37.0111 178.1781 48 W 3.9373 8.6233 129.1962 60.5895 30.6421 177.9391 49 F 4.0712 9.1537 118.0116 60.8675 38.3748 177.8775 50 Q 4.1179 8.8020 117.9632 59.0323 28.4614 178.4193 51 N 4.2085 8.3259 117.6149 56.0819 38.3874 177.4365 52 R 3.3367 7.5672 119.7187 59.1182 29.9230 179.0251 53 R 3.9903 8.0326 117.1343 59.3757 30.1979 178.7671 54 A 3.9491 8.1035 120.5714 55.2831 18.0945 179.7915 55 K 3.8229 7.9490 115.6203 59.6273 32.2391 178.9774 56 L 4.0933 7.8187 119.1970 57.9941 42.0074 178.6753 57 K 3.9617 8.0863 119.0402 58.4361 32.2546 177.5444 58 R 4.3430 8.2055 122.4205 56.3852 30.6152 175.7506 59 S 4.5128 7.1022 108.2607 57.2350 66.1368 173.2514 60 H 4.3478 8.7938 119.9666 55.6533 27.7369 174.2267 61 R 4.6252 8.3580 116.0995 55.1678 33.7455 175.5926 62 E 3.9385 8.5939 119.9752 60.5680 29.7263 179.0451 63 S 4.5219 7.8075 111.0421 58.4567 62.2242 173.5489 64 Q 4.6775 7.7694 118.2410 54.3206 32.2070 173.4048 65 F 4.9833 8.2361 115.4527 58.2013 44.3767 175.4178 66 L 3.1197 6.8730 126.1235 55.3474 41.7366 173.5608 67 M 3.5677 8.0373 119.7154 56.0730 33.1974 175.8728 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 G 8.34 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 0.00 0.00 0.00 2 R 7.95 3.29 0.00 2.09 2.32 0.00 3.04 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 3 R 7.34 4.09 0.00 1.86 1.93 0.00 3.24 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 4 P 0.00 4.43 0.00 2.16 2.08 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 5 R 8.28 3.88 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 6 T 8.09 4.03 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 1.18 0.00 0.00 7 A 7.95 4.27 1.06 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 0.00 0.00 8 F 7.78 5.16 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 4.06 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 1.25 0.00 0.00 10 Q 8.68 4.07 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 11 N 7.94 4.53 0.00 2.78 2.81 0.00 0.00 7.00 7.07 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 12 Q 8.05 4.15 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.56 0.00 0.00 0.00 0.00 0.00 1.28 1.85 0.00 13 I 7.78 3.68 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.81 1.16 0.00 0.00 14 E 8.52 4.26 0.00 2.19 2.30 0.00 0.00 0.00 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 2.30 0.00 15 V 7.59 3.52 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 0.95 0.00 0.00 0.91 0.00 0.00 16 L 7.14 3.58 0.00 0.49 0.13 -0.13 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.61 4.32 0.00 2.20 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 0.00 2.73 2.67 0.00 18 N 8.18 4.58 0.00 2.82 2.93 0.00 0.00 7.34 7.23 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 19 V 7.96 3.83 2.44 0.00 0.00 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 1.05 0.00 0.00 20 F 9.03 4.86 0.00 3.62 3.56 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 0.00 0.00 0.00 0.00 21 R 7.93 3.93 0.00 1.92 2.03 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 22 V 7.80 4.04 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 0.83 0.00 0.00 1.02 0.00 0.00 23 N 7.58 4.86 0.00 2.97 2.92 0.00 0.00 7.08 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 24 C 8.49 3.73 0.00 2.88 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 7.46 4.72 0.00 2.72 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.34 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 27 G 7.86 3.92 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 0.00 0.00 0.00 28 I 7.95 3.68 1.83 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 1.59 0.81 0.89 0.00 0.00 29 D 7.99 4.50 0.00 2.65 2.69 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 30 I 7.61 3.75 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.89 0.00 0.00 31 L 7.81 3.99 0.00 1.84 1.71 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.68 3.95 0.00 2.05 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 2.45 0.00 33 D 8.40 4.31 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.09 3.92 0.00 1.95 1.66 1.12 0.80 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 35 A 8.21 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 3.95 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.90 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 37 K 7.67 4.11 0.00 1.79 1.80 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.51 7.81 38 L 8.09 4.01 0.00 1.46 1.58 0.63 0.86 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 39 N 7.91 4.06 0.00 2.73 2.71 0.00 0.00 6.76 7.76 0.00 0.00 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 L 7.87 4.84 0.00 1.49 1.39 0.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.38 4.39 0.00 2.18 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 2.45 2.33 0.00 42 L 8.57 3.93 0.00 1.74 1.75 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.21 4.39 0.00 2.86 2.71 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 44 R 8.08 4.06 0.00 2.17 2.23 0.00 3.47 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 45 I 7.86 4.08 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.07 0.00 0.00 46 Q 8.81 4.21 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 47 I 8.24 3.78 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.99 0.00 0.00 48 W 8.62 3.94 0.00 3.60 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 4.07 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.12 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.97 0.00 51 N 8.33 4.21 0.00 2.71 2.64 0.00 0.00 7.23 7.15 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 52 R 7.57 3.34 0.00 1.05 0.99 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 53 R 8.03 3.99 0.00 1.88 1.96 0.00 2.87 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 54 A 8.10 3.95 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 55 K 7.95 3.82 0.00 1.78 1.80 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 56 L 7.82 4.09 0.00 1.78 1.94 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.09 3.96 0.00 1.93 1.81 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.44 7.81 58 R 8.21 4.34 0.00 2.09 2.05 0.00 3.40 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 59 S 7.10 4.51 0.00 3.66 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 60 H 8.79 4.35 0.00 3.31 3.40 0.00 5.93 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.36 4.63 0.00 1.87 1.76 0.00 3.13 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 62 E 8.59 3.94 0.00 1.93 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 2.38 0.00 63 S 7.81 4.52 0.00 3.85 3.87 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 0.00 0.00 0.00 64 Q 7.77 4.68 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.44 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 65 F 8.24 4.98 0.00 3.17 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 66 L 6.87 3.12 0.00 1.53 1.67 0.76 0.84 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 67 M 8.04 3.57 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00