NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4561 8.2227 120.1905 55.3292 42.2287 174.8966 2 R 3.7776 8.8500 125.5514 55.9721 28.7071 174.0553 3 I 3.8884 7.8780 117.3578 61.1076 39.2775 174.7379 4 C 4.9858 8.2888 125.0615 56.6102 40.6065 174.4478 5 T 4.3174 7.8434 108.8527 61.5766 69.2969 172.8667 6 N 5.1212 7.9345 118.0987 51.7290 42.6940 176.2803 7 C 4.1979 8.6430 119.5422 59.4130 43.8987 175.4741 8 C 4.3759 8.1848 118.5987 59.6675 44.8710 173.7917 9 A 3.7978 8.1112 121.6117 52.3209 17.7101 180.2388 10 G 2.9129 9.6730 110.7003 44.2713 0.0000 175.8909 11 T 4.4059 8.8315 115.8158 60.7882 70.9433 172.7292 12 K 4.0663 8.7794 129.3453 59.8402 31.8079 175.0254 13 G 3.5452 8.3698 117.8251 45.2833 0.0000 173.1810 14 C 4.8814 8.3961 118.8913 55.3080 44.0398 173.8051 15 K 4.2202 8.4000 122.3761 55.1184 32.1514 175.2908 16 Y 4.8769 7.7098 123.4249 58.7291 38.9763 175.6539 17 F 5.1486 9.7002 125.5373 56.6957 44.1178 172.5858 18 S 4.8261 7.4622 117.8786 55.9359 63.5954 174.6749 19 D 4.5611 8.6019 127.2124 56.3431 39.0658 177.6724 20 D 4.3603 7.2428 118.7068 56.0544 39.1076 176.6210 21 G 4.3558 7.1419 108.8916 45.7370 0.0000 173.6359 22 T 4.7913 7.0571 112.4242 61.1668 72.7096 173.6965 23 F 4.8110 8.9625 127.1036 58.5839 40.3078 174.4982 24 V 3.9519 7.3003 126.3282 63.3066 32.5558 174.2023 25 C 4.5222 6.8532 112.5278 54.8193 45.1436 172.2265 26 E 4.5804 8.9688 119.0052 54.7943 30.8302 176.4936 27 G 3.5303 7.6984 108.6988 47.2581 0.0000 173.1136 28 E 4.8010 9.9243 124.1133 55.4744 32.0597 176.2257 29 S 4.5943 7.9599 113.5430 56.4456 65.4425 172.2583 30 D 4.9871 8.9343 127.8442 53.0540 41.7900 175.1274 31 P 4.2824 0.0000 0.0000 65.7277 31.5350 177.7706 32 R 4.0873 8.3284 117.6906 58.1227 30.2991 176.1731 33 N 4.7864 7.6437 114.9481 50.9668 38.5242 174.4864 34 P 4.6409 0.0000 0.0000 62.2252 29.4567 175.8481 35 K 4.5623 7.8104 131.0546 56.7758 33.0352 175.5042 36 A 4.7932 8.0088 118.7754 50.7272 21.4702 178.8173 37 C 4.9201 8.0494 116.2319 54.8718 41.3146 173.0026 38 P 4.5949 0.0000 0.0000 62.1446 29.1616 176.0227 39 R 4.6219 7.7489 122.7402 58.5790 36.6655 175.8055 40 N 4.7128 7.8456 112.6099 53.0362 39.5904 175.2381 41 C 4.8251 8.2910 115.9661 56.1956 42.3756 174.5140 42 D 4.7542 8.4937 125.6293 51.0164 40.1615 174.2966 43 P 4.3897 0.0000 0.0000 64.8917 31.8659 179.0729 44 R 3.9207 7.4881 116.8723 58.8455 30.1299 177.3273 45 I 3.5669 7.6475 116.3223 61.3044 38.4894 174.8334 46 A 4.3882 7.8739 127.0308 53.3375 21.0491 175.2876 47 Y 4.6746 6.4876 110.8221 56.8951 41.4550 172.4894 48 G 4.5418 9.1029 106.5691 44.9896 0.0000 173.8587 49 I 4.2809 9.0124 128.3658 60.8556 36.6320 175.2472 50 C 4.8415 8.4475 124.5322 55.1246 41.3617 173.4375 51 P 4.0822 0.0000 0.0000 65.7443 31.0396 177.7920 52 L 4.1341 7.9097 117.7181 57.1286 42.0918 176.4960 53 A 4.0974 7.6032 125.5247 52.7281 19.4687 175.6613 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 8.22 4.46 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.78 0.00 2.00 1.92 0.00 3.29 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 3 I 7.88 3.89 1.85 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 1.26 0.76 0.88 0.00 0.00 4 C 8.29 4.99 0.00 2.91 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 5 T 7.84 4.32 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 1.16 0.00 0.00 6 N 7.93 5.12 0.00 2.65 2.63 0.00 0.00 6.52 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.64 4.20 0.00 2.98 3.13 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 0.00 0.00 0.00 0.00 8 C 8.18 4.38 0.00 2.96 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 9 A 8.11 3.80 1.12 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 10 G 9.67 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.83 4.41 4.37 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 1.26 0.00 0.00 12 K 8.78 4.07 0.00 1.84 1.85 0.00 1.93 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.40 7.81 13 G 8.37 3.55 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 0.00 14 C 8.40 4.88 0.00 3.23 3.16 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 15 K 8.40 4.22 0.00 1.94 2.08 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.57 7.81 16 Y 7.71 4.88 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.70 5.15 0.00 3.18 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 18 S 7.46 4.83 0.00 3.59 3.43 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 19 D 8.60 4.56 0.00 2.86 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 20 D 7.24 4.36 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.14 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 4.79 4.36 0.00 0.00 0.00 0.00 0.00 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 23 F 8.96 4.81 0.00 3.14 3.04 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 0.00 0.00 0.00 24 V 7.30 3.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.70 0.00 0.00 25 C 6.85 4.52 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 4.58 0.00 1.92 1.88 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 2.30 2.59 0.00 27 G 7.70 3.53 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 0.00 0.00 0.00 0.00 28 E 9.92 4.80 0.00 2.12 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 2.26 2.39 0.00 29 S 7.96 4.59 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.99 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.09 2.13 0.00 3.76 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 2.05 2.12 0.00 32 R 8.33 4.09 0.00 1.84 1.99 0.00 3.26 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 33 N 7.64 4.79 0.00 2.92 2.81 0.00 0.00 7.04 7.09 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 34 P 0.00 4.64 0.00 2.20 2.13 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 35 K 7.81 4.56 0.00 1.73 1.84 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.43 7.81 36 A 8.01 4.79 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.05 4.92 0.00 2.89 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 38 P 0.00 4.59 0.00 2.16 2.07 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 39 R 7.75 4.62 0.00 1.75 1.92 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 N 7.85 4.71 0.00 2.72 2.76 0.00 0.00 6.65 7.65 0.00 0.00 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 8.29 4.83 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.49 4.75 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.17 2.15 0.00 3.78 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 1.95 1.97 0.00 44 R 7.49 3.92 0.00 1.96 1.90 0.00 3.10 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 45 I 7.65 3.57 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.85 0.00 0.00 46 A 7.87 4.39 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 6.49 4.67 0.00 3.07 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 48 G 9.10 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.01 4.28 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.85 0.00 0.00 50 C 8.45 4.84 0.00 3.10 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 51 P 0.00 4.08 0.00 2.17 2.18 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 52 L 7.91 4.13 0.00 1.67 1.76 0.92 0.71 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 53 A 7.60 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00