NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3298 8.2549 119.7013 56.1920 31.5167 174.5121 3 R 4.2995 8.0379 119.6225 53.7853 34.1866 172.7220 4 R 4.3871 8.4706 120.4703 54.6116 33.8055 173.8949 5 Y 4.9502 8.1007 121.3701 55.9412 41.5915 175.5319 6 R 4.2187 8.6490 123.1596 56.3376 30.9372 176.3295 7 V 4.7992 7.9798 119.6842 60.1764 34.9347 174.4768 8 V 4.4739 8.7638 121.8830 61.2218 34.4624 174.1880 9 V 5.0382 8.6507 127.1655 61.2603 34.1360 174.3314 10 E 4.9002 9.2646 125.7788 54.6427 34.0718 174.2461 11 R 4.7675 8.5902 123.3964 54.6194 31.8071 175.8268 12 D 4.6590 9.0469 126.9388 51.8377 41.1895 176.5017 13 E 3.7241 8.7234 119.2218 59.6522 29.2451 177.6025 14 E 3.7723 7.9020 114.8410 56.8225 29.6056 177.4713 15 G 3.6908 8.4789 107.6881 45.6819 0.0000 173.1319 16 Y 4.8175 8.2272 117.6020 57.0328 40.0408 174.6037 17 F 5.5589 9.2005 120.3698 56.1464 42.4373 175.1610 18 V 5.0436 8.8419 120.5876 61.4160 34.9396 173.8082 19 A 5.4215 9.7080 129.8844 50.4151 22.4086 174.3906 20 H 5.0847 9.2377 120.3450 54.5072 33.3247 172.5540 21 V 4.7535 8.5039 126.8031 60.0087 31.6581 173.8027 22 P 4.0762 0.0000 0.0000 65.3886 31.1807 178.9615 23 E 3.8513 8.1048 118.0554 58.0957 29.6412 176.9365 24 L 4.2616 7.4512 116.0196 53.6837 41.8661 175.7147 25 H 4.0964 7.5170 114.3792 56.8773 27.2050 174.1614 26 A 4.9704 7.6963 117.8722 50.4796 22.4852 175.8137 27 H 5.5086 8.7410 116.0593 54.2681 32.5686 173.1742 28 T 4.9296 8.9880 111.8396 60.0712 72.3006 172.7144 29 Q 5.2353 8.4706 119.9743 55.0808 32.1851 173.5528 30 A 4.7146 8.6110 119.7895 52.6692 22.8576 177.2421 31 Q 3.6922 8.7249 117.3726 56.6687 29.5239 176.8472 32 S 5.1208 7.6067 112.2296 55.6415 67.7155 174.4771 33 F 3.7693 8.8106 123.7957 61.1576 39.2147 176.8242 34 E 3.8273 8.1981 118.5960 59.2877 29.2490 178.3017 35 E 3.8945 8.1515 119.3494 58.9402 29.6365 178.4397 36 L 3.8880 7.8591 120.4151 58.0324 42.0895 178.5853 37 L 3.6982 7.4911 120.1206 58.1110 41.9658 178.8940 38 R 3.8025 7.7181 118.2266 59.6671 30.0690 178.7890 39 R 3.9500 8.1579 117.9472 58.8155 29.9079 178.8124 40 L 3.8891 8.2663 120.7626 58.2528 42.1420 179.0856 41 Q 3.9603 8.2096 118.1102 59.0338 28.6444 178.6736 42 E 3.9506 8.2681 119.3459 59.3323 29.5085 179.3204 43 A 3.9859 8.4959 121.2006 55.2099 18.4509 179.8031 44 I 3.5898 8.0822 118.4212 64.1979 37.0672 178.4445 45 A 3.9877 8.0661 121.6859 55.2490 18.2492 179.8335 46 V 3.5219 7.7585 116.6552 66.2268 31.3585 178.2122 47 S 4.1223 7.8586 113.7222 61.6344 62.8484 176.1192 48 L 4.2609 7.8703 117.8863 54.1135 41.8833 176.4754 49 E 3.7936 8.0334 117.5814 57.6373 27.5446 174.1169 50 E 4.7764 8.1372 116.3598 54.4185 32.3725 176.8434 51 E 4.1525 8.7568 120.7462 59.1048 29.7829 177.6654 52 R 4.6911 7.5049 111.3320 54.6206 32.4908 173.7897 53 A 4.7760 8.1964 120.4230 50.5830 22.2777 175.5430 54 E 4.7128 8.4080 119.1263 54.3875 33.2143 175.8102 55 V 3.8349 9.0441 124.1539 62.6893 31.3004 176.1157 56 V 4.1088 8.0637 120.2580 60.9970 32.3406 175.7256 57 G 4.0128 7.4672 107.2908 45.5194 0.0000 172.7949 58 L 4.3840 8.1828 117.7248 54.6057 42.8753 174.2493 59 E 4.6841 8.3890 122.4739 54.7169 32.3274 175.4990 60 G 3.9822 7.8870 112.3099 45.6932 0.0000 171.5242 61 A 4.7239 8.7229 123.6615 50.2292 21.6766 175.5444 62 L 4.6017 8.4414 122.2917 53.1569 43.3425 175.8289 63 E 4.5627 8.6587 122.7379 54.8487 30.7823 175.4590 64 I 4.5100 8.2292 124.1206 59.3129 39.9777 174.7858 65 E 4.5510 8.7539 122.9632 54.5466 31.3915 175.2784 66 A 4.8027 8.4776 125.7366 50.2234 22.2252 175.4289 67 A 4.2279 8.2470 121.5233 52.4724 19.4112 176.3259 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 R 8.25 4.33 0.00 1.78 1.88 0.00 3.28 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 3 R 8.04 4.30 0.00 1.58 0.96 0.00 3.26 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 4 R 8.47 4.39 0.00 1.57 1.58 0.00 3.14 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 5 Y 8.10 4.95 0.00 2.96 2.70 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 6 R 8.65 4.22 0.00 1.82 1.87 0.00 3.17 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 7 V 7.98 4.80 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 0.71 0.00 0.00 0.97 0.00 0.00 8 V 8.76 4.47 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 1.08 0.00 0.00 0.96 0.00 0.00 9 V 8.65 5.04 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 1.16 0.00 0.00 1.01 0.00 0.00 10 E 9.26 4.90 0.00 1.99 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 2.28 2.30 0.00 11 R 8.59 4.77 0.00 1.73 1.69 0.00 3.14 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 12 D 9.05 4.66 0.00 2.84 2.79 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 13 E 8.72 3.72 0.00 1.88 1.96 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 2.23 2.24 0.00 14 E 7.90 3.77 0.00 1.41 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 2.06 2.09 0.00 15 G 8.48 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 16 Y 8.23 4.82 0.00 3.13 2.77 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 17 F 9.20 5.56 0.00 3.04 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 18 V 8.84 5.04 2.17 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 1.09 0.00 0.00 1.01 0.00 0.00 19 A 9.71 5.42 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 20 H 9.24 5.08 0.00 3.11 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.50 4.75 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 0.70 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.08 0.00 2.18 2.13 0.00 3.86 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 23 E 8.10 3.85 0.00 2.00 2.05 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 2.34 2.37 0.00 24 L 7.45 4.26 0.00 1.43 1.44 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.52 4.10 0.00 3.27 3.34 0.00 5.59 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 26 A 7.70 4.97 1.17 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 0.00 0.00 0.00 27 H 8.74 5.51 0.00 2.99 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.99 4.93 4.24 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 0.00 0.00 0.00 1.20 0.00 0.00 29 Q 8.47 5.24 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 30 A 8.61 4.71 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 31 Q 8.72 3.69 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 32 S 7.61 5.12 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 3.77 0.00 2.85 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 34 E 8.20 3.83 0.00 2.14 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 0.00 2.37 2.40 0.00 35 E 8.15 3.89 0.00 2.09 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 0.00 2.28 2.29 0.00 36 L 7.86 3.89 0.00 1.83 1.45 0.97 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.49 3.70 0.00 1.40 1.60 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.72 3.80 0.00 1.90 2.01 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 39 R 8.16 3.95 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 40 L 8.27 3.89 0.00 1.88 1.74 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.21 3.96 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 42 E 8.27 3.95 0.00 2.13 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 2.59 0.00 43 A 8.50 3.99 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 44 I 8.08 3.59 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.97 0.00 0.00 45 A 8.07 3.99 1.43 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 0.00 0.00 46 V 7.76 3.52 2.19 0.00 0.00 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 0.00 0.00 0.98 0.00 0.00 47 S 7.86 4.12 0.00 3.98 3.84 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 48 L 7.87 4.26 0.00 1.65 1.74 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.03 3.79 0.00 2.12 2.03 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 2.25 2.26 0.00 50 E 8.14 4.78 0.00 1.91 1.85 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 2.46 2.40 0.00 51 E 8.76 4.15 0.00 1.95 2.00 0.00 0.00 0.00 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 2.24 0.00 52 R 7.50 4.69 0.00 1.85 1.83 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 53 A 8.20 4.78 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 54 E 8.41 4.71 0.00 1.87 1.79 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 2.18 2.30 0.00 55 V 9.04 3.83 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 0.76 0.00 0.00 0.89 0.00 0.00 56 V 8.06 4.11 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 0.75 0.00 0.00 0.91 0.00 0.00 57 G 7.47 4.01 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 0.00 0.00 0.00 58 L 8.18 4.38 0.00 1.74 1.62 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.39 4.68 0.00 1.91 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 2.19 2.32 0.00 60 G 7.89 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.72 4.72 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 62 L 8.44 4.60 0.00 1.65 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.66 4.56 0.00 1.97 1.89 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 2.27 2.28 0.00 64 I 8.23 4.51 1.87 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 1.41 0.87 0.90 0.00 0.00 65 E 8.75 4.55 0.00 1.89 1.83 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 2.18 2.18 0.00 66 A 8.48 4.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.25 4.23 1.17 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 0.00 0.00 0.00