NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2870 8.2649 123.5819 51.4033 20.3162 177.4050 3 K 4.1349 7.7097 116.7973 55.1236 33.6665 170.3883 4 E 4.5453 8.4018 124.2997 53.7496 31.8372 173.5277 5 P 4.5698 0.0000 0.0000 61.8511 32.5589 174.6684 6 C 3.9600 7.8505 119.6924 60.3449 29.0758 173.3103 7 V 3.8385 7.5431 122.7107 64.0032 31.4327 178.2123 8 E 3.9209 8.1580 119.5547 59.1559 29.0829 178.8670 9 S 4.4062 7.4113 113.2629 60.0524 63.4436 176.2569 10 L 4.1524 7.6473 122.5302 57.7547 41.4256 179.4787 11 V 3.4321 7.9779 112.6614 63.8499 31.0634 178.6211 12 S 4.1551 7.5449 112.3955 60.6653 62.6700 176.6040 13 Q 4.0077 7.4885 121.2259 59.2119 28.6591 178.1400 14 Y 4.3768 7.5874 118.8298 58.8478 37.8100 177.3999 15 F 4.2103 7.3837 121.9161 61.2766 39.2409 177.0437 16 Q 4.1281 8.2762 117.6943 58.7545 28.5126 178.6623 17 T 4.1112 7.6138 117.4717 66.4632 68.4954 176.9131 18 V 3.9089 7.7894 120.0657 64.1449 31.4751 178.5317 19 T 3.9264 7.3203 116.1601 66.6742 68.3360 176.4215 20 D 4.4204 7.9187 120.6517 57.1732 40.6096 178.1025 21 Y 4.3994 7.6778 119.2422 60.7804 38.8109 178.4847 22 G 3.4220 7.9036 106.1936 47.3639 0.0000 175.9692 23 K 4.0042 7.7733 120.4372 59.4082 31.8889 178.9725 24 D 4.5993 8.0321 120.5809 56.8598 40.1892 178.8464 25 L 3.9058 7.5083 119.6487 57.6880 41.5627 179.1698 26 M 4.0467 7.8157 118.3776 58.5945 32.1816 178.1746 27 E 4.0101 8.1367 118.7709 59.1660 29.3948 179.2911 28 K 4.1546 7.5267 117.2913 58.6155 31.9473 178.8152 29 V 3.9104 7.2934 117.5105 64.9187 31.8298 177.9342 30 K 4.5811 8.2023 119.7049 58.1105 31.8672 179.5259 31 S 4.2308 7.8954 114.9291 60.9505 62.8146 174.8130 32 P 4.3314 0.0000 0.0000 64.8641 31.3571 177.9035 33 E 4.1092 7.6057 115.9530 59.2457 29.1279 179.1583 34 L 4.2819 7.3069 116.5663 56.9668 42.4418 178.5355 35 Q 4.3269 7.9637 120.5282 55.5297 28.6612 174.6346 36 A 4.7322 8.0371 127.6814 49.5200 22.8061 175.9315 37 E 3.9345 8.7140 115.8813 59.4019 29.3547 178.9816 38 A 3.7640 7.8867 120.3865 54.7321 17.8518 179.4225 39 K 3.9705 7.7277 116.7357 59.0786 31.9486 179.5322 40 S 4.0967 7.9171 115.2129 61.3631 62.7988 175.5672 41 Y 4.0212 7.6431 122.4518 59.4307 38.4232 177.3037 42 F 4.6969 7.9476 117.7097 60.4486 38.8178 176.7563 43 E 4.2554 8.0955 117.9359 59.0295 29.4908 178.9567 44 K 4.2909 7.9436 120.8045 58.8593 32.0811 179.0621 45 S 4.6111 8.5172 116.2970 60.9016 62.9142 176.6261 46 K 4.1276 7.9635 121.2436 58.6960 31.4685 178.1542 47 E 4.2934 7.8796 117.0601 56.8012 29.0174 177.8144 48 Q 4.4155 7.9016 120.1580 56.5522 30.8477 177.5307 49 L 4.0580 7.7751 120.7357 58.0374 42.1894 178.8271 50 T 3.9744 7.9303 115.9272 66.0802 68.5641 174.7567 51 P 4.4173 0.0000 0.0000 64.5229 31.1573 177.8016 52 L 3.9658 7.3331 119.1481 58.3411 41.9889 178.4266 53 I 3.9787 7.5515 119.7706 63.9726 37.3096 177.8467 54 K 4.2353 7.8073 117.0398 57.4687 31.6264 178.6075 55 K 4.0527 7.9960 120.6347 58.7465 32.0878 178.1815 56 A 4.1608 7.8437 120.8073 54.4616 17.9753 179.5953 57 G 3.5161 7.6715 104.0075 47.6618 0.0000 174.9978 58 T 4.2564 7.3788 112.1573 62.8529 67.9715 173.6488 59 E 3.9285 7.4932 115.2966 57.5043 32.2364 177.7494 60 L 3.9177 7.4904 121.3013 56.8871 41.6953 179.5250 61 V 3.7458 7.8447 118.2056 65.9194 31.3568 177.7456 62 N 4.5764 7.8138 115.2808 55.3978 38.1868 176.2145 63 F 5.3859 7.4064 117.2014 58.0220 38.9958 176.2956 64 L 4.8291 7.5304 117.3910 54.8916 42.8879 178.1966 65 S 4.3270 7.9494 114.4234 61.3479 62.3044 175.5128 66 Y 4.6931 7.9482 121.1502 59.4214 37.7908 177.8764 67 F 4.1400 7.1787 119.4254 60.3435 38.7683 177.4485 68 V 3.7277 7.6508 117.6915 65.6043 31.2428 177.8362 69 E 4.0393 8.0701 118.1439 59.4633 29.2877 178.6852 70 L 4.3540 7.7620 118.5701 56.5905 42.3766 177.3534 71 G 4.0748 7.6186 105.7663 46.0724 0.0000 173.8116 72 T 4.6035 7.8909 113.9775 65.2669 73.5637 176.1934 73 Q 4.0694 7.9860 118.2914 58.6768 28.7566 176.7964 74 P 4.3017 0.0000 0.0000 65.0039 31.6946 176.2867 75 A 4.1817 7.5645 125.1064 52.3195 18.2900 176.9250 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 A 8.26 4.29 1.30 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 0.00 0.00 0.00 0.00 0.00 3 K 7.71 4.13 0.00 1.77 1.73 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.55 7.81 4 E 8.40 4.55 0.00 1.90 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 2.23 2.29 0.00 5 P 0.00 4.57 0.00 2.21 2.13 0.00 3.97 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 1.91 1.93 0.00 6 C 7.85 3.96 0.00 3.11 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 7 V 7.54 3.84 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 0.80 0.00 0.00 0.95 0.00 0.00 8 E 8.16 3.92 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 9 S 7.41 4.41 0.00 4.06 3.97 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 10 L 7.65 4.15 0.00 1.89 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.98 3.43 1.90 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 1.13 0.00 0.00 0.88 0.00 0.00 12 S 7.54 4.16 0.00 4.04 4.06 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 13 Q 7.49 4.01 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 14 Y 7.59 4.38 0.00 3.12 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.38 4.21 0.00 2.99 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 16 Q 8.28 4.13 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 17 T 7.61 4.11 4.49 0.00 0.00 0.00 0.00 0.00 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 18 V 7.79 3.91 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 0.70 0.00 0.00 0.88 0.00 0.00 19 T 7.32 3.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 D 7.92 4.42 0.00 2.87 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 Y 7.68 4.40 0.00 3.04 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 22 G 7.90 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 0.00 0.00 0.00 23 K 7.77 4.00 0.00 1.97 1.84 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.71 7.81 24 D 8.03 4.60 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.91 0.00 1.56 1.54 0.33 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.82 4.05 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 27 E 8.14 4.01 0.00 2.22 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 2.31 2.56 0.00 28 K 7.53 4.15 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 29 V 7.29 3.91 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 1.03 0.00 0.00 0.97 0.00 0.00 30 K 8.20 4.58 0.00 2.00 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 31 S 7.90 4.23 0.00 4.06 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 0.00 32 P 0.00 4.33 0.00 2.24 2.22 0.00 3.69 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 2.10 2.04 0.00 33 E 7.61 4.11 0.00 2.27 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 2.33 2.54 0.00 34 L 7.31 4.28 0.00 1.72 1.76 0.93 0.96 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 35 Q 7.96 4.33 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 36 A 8.04 4.73 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 37 E 8.71 3.93 0.00 1.98 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 0.00 2.34 2.30 0.00 38 A 7.89 3.76 0.98 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 39 K 7.73 3.97 0.00 1.95 1.94 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.78 1.55 7.81 40 S 7.92 4.10 0.00 3.99 4.06 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 41 Y 7.64 4.02 0.00 2.94 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 42 F 7.95 4.70 0.00 3.25 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 43 E 8.10 4.26 0.00 2.06 2.01 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 2.38 2.60 0.00 44 K 7.94 4.29 0.00 1.80 1.89 0.00 1.04 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.45 1.23 7.81 45 S 8.52 4.61 0.00 4.18 4.30 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 0.00 0.00 0.00 46 K 7.96 4.13 0.00 2.06 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.73 7.81 47 E 7.88 4.29 0.00 2.22 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 2.33 2.60 0.00 48 Q 7.90 4.42 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 49 L 7.78 4.06 0.00 1.73 1.66 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.93 3.97 4.29 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 1.22 0.00 0.00 51 P 0.00 4.42 0.00 2.26 2.30 0.00 3.62 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 2.23 2.19 0.00 52 L 7.33 3.97 0.00 1.87 1.93 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.55 3.98 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.92 0.00 0.00 54 K 7.81 4.24 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 55 K 8.00 4.05 0.00 2.09 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.60 7.81 56 A 7.84 4.16 1.31 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 0.00 0.00 0.00 57 G 7.67 3.52 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 0.00 58 T 7.38 4.26 4.19 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 1.24 0.00 0.00 59 E 7.49 3.93 0.00 1.67 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 2.31 2.12 0.00 60 L 7.49 3.92 0.00 1.73 1.83 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.84 3.75 2.23 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 1.02 0.00 0.00 0.94 0.00 0.00 62 N 7.81 4.58 0.00 2.75 2.83 0.00 0.00 7.18 8.13 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 63 F 7.41 5.39 0.00 3.33 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 64 L 7.53 4.83 0.00 1.85 1.76 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.95 4.33 0.00 3.90 4.05 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 66 Y 7.95 4.69 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 67 F 7.18 4.14 0.00 3.04 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 68 V 7.65 3.73 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 1.05 0.00 0.00 0.99 0.00 0.00 69 E 8.07 4.04 0.00 2.30 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 2.44 2.63 0.00 70 L 7.76 4.35 0.00 1.67 1.78 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.62 4.07 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 0.00 0.00 0.00 72 T 7.89 4.60 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 1.22 0.00 0.00 73 Q 7.99 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 74 P 0.00 4.30 0.00 2.05 2.13 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 75 A 7.56 4.18 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