NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5671 8.1133 121.1241 56.1617 31.9272 173.9333 2 K 5.0045 8.9363 124.1398 54.4893 36.0422 173.2208 3 C 5.2801 9.7160 120.8011 54.9130 45.3506 173.3242 4 L 4.6920 8.6942 122.2814 55.1420 41.2756 177.0408 5 I 4.5909 8.8109 116.0306 61.4789 39.8351 176.0159 6 K 4.8055 7.8133 120.4789 55.0917 36.7411 174.8623 7 Y 5.1886 8.2965 123.2182 57.0106 41.9699 173.6155 8 S 4.2530 8.6385 120.5517 56.4189 66.3617 174.4765 9 Q 3.8081 8.3812 117.6356 58.2198 28.4094 177.0818 10 A 4.5679 7.1077 116.7832 51.9414 20.1879 175.9140 11 N 5.0946 7.5050 111.4235 52.1414 43.5743 173.5095 12 E 5.2183 8.3990 118.0043 55.6465 32.4027 174.5271 13 S 5.0153 8.9182 117.9908 56.9099 66.7473 173.1650 14 S 5.3021 8.5904 116.7262 56.7427 66.7233 172.6446 15 K 4.7516 8.9303 118.0419 55.4674 36.2367 175.5121 16 T 4.6601 8.4040 118.3557 63.5494 69.1151 175.4348 17 C 4.5948 8.9706 124.5084 55.9974 38.3883 172.1349 18 P 4.5273 0.0000 0.0000 61.7898 31.8125 176.0383 19 S 4.1129 8.2979 114.5414 60.1838 63.1065 174.4612 20 G 3.9528 9.1031 110.9536 45.1361 0.0000 173.1949 21 Q 4.4779 7.4804 117.5790 54.5508 29.4790 174.8447 22 L 4.7172 8.4922 121.2094 54.0317 42.8161 176.3046 23 L 4.9795 7.7862 118.7940 53.1889 45.0480 174.7975 24 C 5.2861 9.1793 119.6506 55.2461 39.8946 172.4834 25 L 5.2859 8.8403 124.1131 53.1317 45.0097 174.9385 26 K 5.1602 9.1649 126.6353 54.5769 35.3244 174.5533 27 K 5.3073 9.3765 128.6966 54.5710 35.6785 174.7658 28 W 5.5120 8.4363 122.1984 55.8791 32.1065 172.7935 29 E 5.0424 8.7718 119.3196 54.8363 30.8657 176.3387 30 I 3.6418 8.8667 124.7044 63.1721 37.8598 178.2779 31 G 3.7027 8.0216 109.6660 46.8002 0.0000 172.7586 32 N 5.0692 7.8996 125.6026 50.9821 42.5618 173.4137 33 P 4.5910 0.0000 0.0000 61.2105 30.0485 177.1009 34 S 4.4696 7.0344 108.6627 56.7300 65.3668 175.4513 35 G 4.3154 10.2404 127.0700 45.4637 0.0000 172.3738 36 K 3.8066 7.5525 119.6097 57.2637 29.9046 176.4409 37 E 4.2657 7.6585 117.9609 55.0325 28.7546 175.9418 38 V 4.3523 7.3963 120.8155 62.6010 32.7631 175.7769 39 K 4.5034 9.0843 128.8141 56.1289 33.4537 176.5166 40 R 5.6034 8.3178 121.6700 53.1039 34.4166 175.5147 41 G 3.8795 7.9218 107.9463 46.3988 0.0000 171.9628 42 C 5.1257 8.3275 116.2138 56.1284 35.9972 173.5805 43 V 4.6020 8.4452 114.4175 59.7530 35.5958 176.5746 44 A 4.0794 8.7721 125.7665 55.1878 18.5447 178.1318 45 T 4.6025 7.3862 109.6466 61.3814 71.8651 174.5436 46 C 4.3646 8.6056 124.2537 55.4250 43.5578 171.8427 47 P 4.4344 0.0000 0.0000 62.2324 31.5924 175.7110 48 K 4.0919 8.2533 121.3176 54.9034 32.7381 175.0484 49 P 4.0726 0.0000 0.0000 62.6089 31.9375 175.7729 50 W 4.8945 8.1259 120.6533 54.9609 31.3440 177.7882 51 K 4.0750 8.5684 118.9908 59.9783 31.5045 177.6694 52 N 4.7795 8.2506 113.4067 53.0745 38.8398 173.8438 53 E 4.7311 8.0831 118.8928 55.1976 31.3147 175.6448 54 I 3.9239 7.9138 125.0514 59.7061 38.8621 174.5656 55 I 4.4841 7.8981 127.9429 59.5111 39.0133 174.9298 56 Q 4.6103 8.8663 127.3075 54.5385 32.0874 173.2805 57 C 5.9471 9.0421 122.3072 54.5205 41.9450 171.7597 58 C 4.9495 8.5171 114.5247 54.1022 45.3307 173.2847 59 A 4.9482 8.3610 119.7645 51.7388 19.4703 176.0528 60 K 4.6908 7.7602 116.9986 55.6454 36.2386 175.9586 61 D 4.7288 8.6847 121.3026 56.0489 41.0418 176.5974 62 K 3.8818 8.7935 122.6811 57.5071 30.1890 174.3716 63 C 4.4128 8.0292 115.0340 57.3928 42.2321 173.5027 64 N 4.5152 7.7689 118.5979 52.6623 36.9657 174.7892 65 A 3.7147 7.5913 125.8132 53.3846 18.4824 177.9536 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 R 8.11 4.57 0.00 1.95 1.99 0.00 3.31 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 2 K 8.94 5.00 0.00 1.69 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3 C 9.72 5.28 0.00 2.83 2.90 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 4 L 8.69 4.69 0.00 1.63 1.64 0.67 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.81 4.59 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.93 0.00 0.00 6 K 7.81 4.81 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 Y 8.30 5.19 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.64 4.25 0.00 3.71 3.75 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 9 Q 8.38 3.81 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 10 A 7.11 4.57 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.50 5.09 0.00 2.64 2.59 0.00 0.00 6.47 7.54 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 12 E 8.40 5.22 0.00 2.21 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 2.22 2.38 0.00 13 S 8.92 5.02 0.00 3.80 3.76 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 0.00 0.00 0.00 0.00 14 S 8.59 5.30 0.00 3.85 3.81 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 0.00 0.00 0.00 15 K 8.93 4.75 0.00 1.79 1.89 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 T 8.40 4.66 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 1.26 0.00 0.00 17 C 8.97 4.59 0.00 2.89 3.05 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 18 P 0.00 4.53 0.00 2.18 1.98 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 19 S 8.30 4.11 0.00 3.97 3.88 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 0.00 0.00 0.00 20 G 9.10 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.48 4.48 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 22 L 8.49 4.72 0.00 1.59 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.79 4.98 0.00 1.88 1.52 0.91 0.87 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 24 C 9.18 5.29 0.00 2.80 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 L 8.84 5.29 0.00 1.70 1.60 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 K 9.16 5.16 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.65 1.42 7.81 27 K 9.38 5.31 0.00 1.74 1.59 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.22 7.81 28 W 8.44 5.51 0.00 3.42 3.19 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 29 E 8.77 5.04 0.00 1.95 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 0.00 2.28 2.57 0.00 30 I 8.87 3.64 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 0.94 0.00 0.00 31 G 8.02 3.70 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 0.00 0.00 0.00 32 N 7.90 5.07 0.00 2.74 2.81 0.00 0.00 7.10 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 33 P 0.00 4.59 0.00 2.10 2.06 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 34 S 7.03 4.47 0.00 3.82 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 35 G 10.24 4.32 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 0.00 36 K 7.55 3.81 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.38 7.81 37 E 7.66 4.27 0.00 2.11 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 2.33 2.35 0.00 38 V 7.40 4.35 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 0.83 0.00 0.00 0.87 0.00 0.00 39 K 9.08 4.50 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.60 7.81 40 R 8.32 5.60 0.00 1.86 2.01 0.00 3.45 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 41 G 7.92 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.33 5.13 0.00 2.97 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 43 V 8.45 4.60 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 44 A 8.77 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.39 4.60 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 1.20 0.00 0.00 46 C 8.61 4.36 0.00 2.90 2.98 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 47 P 0.00 4.43 0.00 1.97 1.94 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 48 K 8.25 4.09 0.00 1.73 1.77 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 49 P 0.00 4.07 0.00 2.08 1.82 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 50 W 8.13 4.89 0.00 3.49 2.94 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 51 K 8.57 4.08 0.00 1.80 1.92 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.49 7.81 52 N 8.25 4.78 0.00 2.78 2.83 0.00 0.00 6.96 7.66 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 53 E 8.08 4.73 0.00 1.72 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 54 I 7.91 3.92 0.56 0.00 0.00 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 0.75 0.75 -0.05 0.00 0.00 55 I 7.90 4.48 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.55 0.82 0.00 0.00 56 Q 8.87 4.61 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 57 C 9.04 5.95 0.00 2.81 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 58 C 8.52 4.95 0.00 2.93 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 59 A 8.36 4.95 1.24 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 0.00 0.00 0.00 60 K 7.76 4.69 0.00 1.74 1.63 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 61 D 8.68 4.73 0.00 2.65 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 62 K 8.79 3.88 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.34 7.81 63 C 8.03 4.41 0.00 3.07 3.24 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 0.00 64 N 7.77 4.52 0.00 2.85 2.93 0.00 0.00 6.03 7.26 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 65 A 7.59 3.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00