NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1907 8.2493 123.5893 52.2312 19.6940 175.8685 4 V 3.7595 7.3885 114.4693 60.1963 32.7378 173.6633 5 S 3.7092 8.9032 110.8979 58.8681 61.6068 172.4109 6 V 4.4348 7.2858 115.3000 60.1244 34.5765 174.5482 7 D 4.5078 8.4721 121.4800 54.3900 40.1416 176.0590 8 C 4.8272 8.6542 124.8079 57.0753 40.2178 176.0784 9 S 4.0895 7.8311 116.0112 60.6419 62.4737 173.9802 10 E 4.5019 7.8429 120.6489 56.9904 29.7917 175.6182 11 Y 4.7199 7.7056 114.4900 55.3726 42.2795 173.2735 12 P 5.0434 0.0000 0.0000 62.5599 32.5639 175.6383 13 K 4.3683 8.1472 119.2229 54.2699 33.5549 175.3865 14 P 4.6229 0.0000 0.0000 63.0845 31.6666 175.8177 15 A 4.4632 7.1189 118.3809 51.9061 22.3224 175.1119 16 C 5.0452 8.5553 118.6119 55.5235 42.5163 172.2806 17 T 4.6479 8.0457 109.0642 60.5132 71.1783 173.3493 18 M 4.3771 8.4769 118.1842 55.3378 32.0025 174.9948 19 E 3.7238 7.4785 116.8308 56.6631 29.8715 176.0297 20 Y 4.0558 8.6180 127.3191 56.7685 38.7482 175.3257 21 R 4.6028 8.3928 128.6671 54.3778 34.1056 172.9532 22 P 5.1117 0.0000 0.0000 62.0036 32.7896 175.3053 23 L 4.8385 8.5721 125.2620 52.8871 44.5735 176.4643 24 C 5.6505 8.0563 122.6742 55.1528 42.3072 174.0078 25 G 4.4575 8.8813 111.7968 46.1249 0.0000 174.2195 26 S 4.9641 9.0856 117.9941 60.1344 62.9907 175.2269 27 D 4.6001 8.0568 118.4690 53.1560 39.1535 175.3665 28 N 4.2186 8.2038 116.3344 55.2801 37.6189 173.2739 29 K 4.6711 7.8723 115.3764 54.5655 36.4674 174.1819 30 T 4.9125 8.1603 119.1315 61.9966 70.7633 173.5459 31 Y 4.7147 8.6549 121.7826 56.2502 41.4650 177.1057 32 G 3.5473 8.8752 109.8144 47.2959 0.0000 173.3148 33 N 5.1494 7.9385 115.3009 51.0778 39.0287 175.2425 34 K 3.9737 8.1638 118.2043 59.7440 31.7159 179.5408 35 C 5.2020 8.1607 121.2189 59.5186 39.2073 174.4993 36 N 4.3601 8.6343 116.4573 54.5187 38.2789 176.8177 37 F 2.8279 7.5024 122.5005 60.5279 39.8153 176.8156 38 C 3.9090 7.9076 115.9419 59.8132 33.8153 176.1225 39 N 4.2054 7.4267 117.3592 56.1330 38.3769 177.3422 40 A 3.9706 7.2993 121.9824 54.6742 18.1781 179.6470 41 V 3.4050 7.1516 116.9681 65.4550 31.4465 177.9772 42 V 3.6834 7.3611 116.3589 64.6493 31.5944 176.9176 43 E 4.3199 7.6825 117.4157 58.7283 30.0291 177.5351 44 S 4.3115 7.7349 110.8481 58.6548 62.1856 174.5191 45 N 4.3488 7.6058 116.7281 54.7423 37.4476 174.5241 46 G 4.0122 7.9633 104.8995 45.6213 0.0000 174.6922 47 T 4.3808 7.2066 109.2453 61.1909 68.9972 174.1272 48 L 4.7845 7.4650 122.6227 54.0070 45.3464 175.6824 49 T 4.8683 8.2484 116.9164 60.6162 70.3001 171.6781 50 L 5.2099 8.2339 122.4595 53.9488 44.2024 178.0553 51 S 4.5123 9.1507 122.8086 60.8085 64.4163 173.4861 52 H 4.6722 7.9401 109.0489 54.8555 30.1383 173.0843 53 F 3.6642 9.4247 124.8384 58.8405 38.5973 175.3930 54 G 4.7100 7.8010 113.9909 43.7039 0.0000 169.9923 55 K 4.5860 7.9669 119.4987 56.5220 33.7087 177.8158 56 C 4.5323 8.2454 116.2203 57.2089 41.2939 174.0111 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 3 A 8.25 4.19 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 4 V 7.39 3.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.90 0.00 0.00 5 S 8.90 3.71 0.00 4.10 4.22 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 6 V 7.29 4.43 2.35 0.00 0.00 0.00 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 7 D 8.47 4.51 0.00 2.75 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 8 C 8.65 4.83 0.00 2.96 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 9 S 7.83 4.09 0.00 4.00 4.16 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 10 E 7.84 4.50 0.00 2.08 1.87 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 2.29 2.29 0.00 11 Y 7.71 4.72 0.00 3.15 2.84 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 12 P 0.00 5.04 0.00 2.21 2.22 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 13 K 8.15 4.37 0.00 1.57 1.63 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.99 0.21 7.81 14 P 0.00 4.62 0.00 2.15 2.13 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 15 A 7.12 4.46 1.21 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 0.00 0.00 0.00 16 C 8.56 5.05 0.00 2.93 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 17 T 8.05 4.65 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 1.22 0.00 0.00 18 M 8.48 4.38 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 19 E 7.48 3.72 0.00 2.00 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 2.39 2.40 0.00 20 Y 8.62 4.06 0.00 3.04 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 21 R 8.39 4.60 0.00 1.81 1.85 0.00 3.22 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 22 P 0.00 5.11 0.00 2.16 2.28 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 23 L 8.57 4.84 0.00 1.62 1.28 0.78 0.50 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 24 C 8.06 5.65 0.00 2.98 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 25 G 8.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.09 4.96 0.00 3.93 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 27 D 8.06 4.60 0.00 2.78 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 28 N 8.20 4.22 0.00 2.89 2.96 0.00 0.00 6.77 6.15 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 29 K 7.87 4.67 0.00 1.80 1.54 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.56 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.87 1.20 7.81 30 T 8.16 4.91 4.16 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 1.19 0.00 0.00 31 Y 8.65 4.71 0.00 3.14 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 32 G 8.88 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 33 N 7.94 5.15 0.00 2.87 3.07 0.00 0.00 6.50 6.50 0.00 0.00 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 K 8.16 3.97 0.00 2.17 2.16 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.62 7.81 35 C 8.16 5.20 0.00 3.12 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.63 4.36 0.00 3.06 3.12 0.00 0.00 6.75 7.48 0.00 0.00 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 7.50 2.83 0.00 2.57 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 38 C 7.91 3.91 0.00 1.23 1.41 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 39 N 7.43 4.21 0.00 3.00 2.87 0.00 0.00 7.25 7.81 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 40 A 7.30 3.97 1.16 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 0.00 0.00 41 V 7.15 3.41 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 0.94 0.00 0.00 0.32 0.00 0.00 42 V 7.36 3.68 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 0.85 0.00 0.00 0.93 0.00 0.00 43 E 7.68 4.32 0.00 2.10 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 2.24 2.42 0.00 44 S 7.73 4.31 0.00 4.02 3.85 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 0.00 0.00 0.00 45 N 7.61 4.35 0.00 2.92 2.92 0.00 0.00 7.39 7.85 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 46 G 7.96 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 47 T 7.21 4.38 4.22 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 1.20 0.00 0.00 48 L 7.46 4.78 0.00 1.47 1.29 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.25 4.87 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 1.24 0.00 0.00 50 L 8.23 5.21 0.00 0.85 1.06 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.15 4.51 0.00 4.01 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 52 H 7.94 4.67 0.00 3.16 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.42 3.66 0.00 3.00 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 54 G 7.80 4.71 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 0.00 0.00 0.00 55 K 7.97 4.59 0.00 1.92 1.88 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 C 8.25 4.53 0.00 2.96 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