NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 5.0146 8.3698 121.0748 58.0331 38.5831 174.0950 2 D 4.2887 8.3645 124.0700 51.6510 40.0482 175.9327 3 G 3.8403 8.6657 108.2831 46.4530 0.0000 175.4456 4 Q 4.3237 8.4909 116.8379 55.3947 29.7825 175.4073 5 N 4.6700 7.9361 118.0051 52.1395 38.4214 173.1765 6 C 4.9624 8.4034 122.8076 54.8557 41.8922 174.7101 7 K 4.0025 8.3951 124.6238 59.0513 32.9515 176.9523 8 E 4.7376 7.7177 117.2371 53.8018 33.5037 172.4975 9 P 4.3495 0.0000 0.0000 64.3616 31.6219 177.1892 10 G 3.9016 9.2069 110.9404 45.4461 0.0000 172.9052 11 N 4.8713 8.5164 118.4313 51.9361 39.4795 173.0121 12 C 5.4102 8.5498 118.6872 54.9248 41.5993 174.4272 13 W 4.4204 7.7231 130.6557 57.4515 30.5691 175.3280 14 E 3.8911 5.9000 122.4175 53.7729 32.9894 174.7147 15 N 3.6474 7.2553 119.6372 51.9939 38.3694 175.2280 16 K 4.1134 8.1142 120.3068 55.1210 32.9469 174.7548 17 P 4.3386 0.0000 0.0000 64.9616 31.1099 176.6414 18 G 3.8890 9.2480 111.4484 44.9921 0.0000 172.4145 19 Y 4.7918 7.7609 117.0860 55.1056 40.3730 173.9623 20 P 4.6087 0.0000 0.0000 62.6698 32.2756 176.5894 21 E 4.3511 8.8708 119.8424 58.5931 29.7798 177.7324 22 K 4.6978 7.8680 116.9364 54.4727 35.3565 176.1593 23 I 4.0754 8.3674 115.7963 61.9728 38.4687 175.6730 24 A 4.2590 7.8401 125.0734 53.7278 18.3668 177.6617 25 G 3.8995 9.9514 112.5327 45.2665 0.0000 173.1255 26 S 4.6579 7.8461 115.1874 55.9694 65.1730 174.8840 27 K 4.0256 8.1756 118.2404 58.8545 32.2763 177.0249 28 Y 4.7640 7.2214 116.1961 57.6706 38.0983 174.9168 29 D 4.4818 7.8893 121.2430 53.6282 41.1426 174.6480 30 P 4.1917 0.0000 0.0000 63.8061 32.0443 176.3383 31 K 3.7623 8.4370 118.2233 57.6076 29.9012 175.0469 32 H 4.4022 7.6302 114.1895 55.6066 30.0517 175.9756 33 D 4.5504 8.6219 122.9206 53.1641 41.8799 175.0556 34 P 4.2420 0.0000 0.0000 66.0083 31.5899 178.3911 35 V 3.7195 8.2399 116.8682 65.9557 31.3539 177.6740 36 E 3.9491 8.3743 118.6049 59.3619 29.2849 178.6583 37 L 4.0100 7.8523 118.0358 57.1428 41.9677 178.1730 38 N 4.6971 7.7787 114.4215 53.4307 38.8303 177.0222 39 K 3.9622 7.7463 121.8530 59.5873 32.1354 179.0680 40 Q 3.9886 7.9893 117.8003 58.9403 28.7877 178.2024 41 E 3.9420 8.1021 119.8787 59.2833 29.8161 178.3342 42 E 3.9768 8.2389 119.4247 58.9751 29.6316 178.8107 43 S 4.0774 8.0397 113.4505 61.5040 62.5228 176.2545 44 I 3.7403 7.8432 122.5357 63.9756 36.8225 178.3640 45 K 3.8780 8.0287 120.3013 59.5487 32.1122 178.7985 46 A 3.9973 7.8418 120.5575 55.1774 18.2795 179.2672 47 M 3.9396 8.1911 116.7617 59.0388 32.3724 178.2236 48 D 4.3828 8.6011 119.1842 57.2723 40.9827 178.7346 49 A 3.9849 7.8811 120.9061 55.1553 18.4063 179.9653 50 R 3.8160 7.9357 116.5804 59.3342 30.0324 179.0413 51 N 4.2679 8.2198 116.0999 56.2441 38.5191 177.1896 52 A 3.9568 8.0857 122.1804 55.0992 18.4167 179.6163 53 K 3.8095 7.8417 117.5090 59.6440 32.3881 179.3232 54 R 3.5996 7.6711 118.2423 59.2262 30.0697 179.1715 55 I 3.7606 8.0292 119.7039 64.1558 36.9455 178.3861 56 A 3.9714 8.1254 121.7563 55.1135 18.1981 179.3941 57 N 4.1568 8.0411 114.7072 56.5617 38.6690 177.5529 58 A 4.4290 7.5814 122.8614 54.5257 18.1810 179.6042 59 K 3.9505 7.8771 117.4414 59.0437 32.3007 178.4506 60 S 4.4880 7.7175 113.4322 59.9096 63.8874 175.8192 61 S 4.4564 8.6942 116.0933 57.8954 63.4769 175.5692 62 G 3.9572 8.1835 109.9017 45.4292 0.0000 172.7977 63 N 4.9557 7.7911 118.6103 51.4184 41.1519 172.7412 64 F 4.4748 8.8473 127.8155 57.1173 40.4356 174.7365 65 V 4.5627 7.4390 126.6215 61.0887 34.3147 174.7614 66 F 4.2207 9.2779 129.6288 61.2753 39.5979 175.1853 67 D 4.5587 8.2327 121.5966 54.1063 40.6760 176.0900 68 V 4.2404 7.8006 120.6767 61.1358 33.5677 172.7270 69 K 3.9913 8.4335 122.1653 57.0967 31.8643 175.1965 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 Y 8.37 5.01 0.00 2.62 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 2 D 8.36 4.29 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 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 0.00 0.00 0.00 4 Q 8.49 4.32 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 5 N 7.94 4.67 0.00 2.75 2.97 0.00 0.00 7.06 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 6 C 8.40 4.96 0.00 3.01 3.32 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 7 K 8.40 4.00 0.00 1.84 1.97 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 8 E 7.72 4.74 0.00 2.03 1.84 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 2.32 2.36 0.00 9 P 0.00 4.35 0.00 2.05 2.02 0.00 3.73 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 2.04 2.10 0.00 10 G 9.21 3.90 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 0.00 0.00 0.00 11 N 8.52 4.87 0.00 2.70 2.82 0.00 0.00 6.94 8.32 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 12 C 8.55 5.41 0.00 3.07 3.12 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 13 W 7.72 4.42 0.00 3.43 3.12 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 14 E 5.90 3.89 0.00 1.47 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 2.12 2.34 0.00 15 N 7.26 3.65 0.00 2.91 2.76 0.00 0.00 6.14 7.13 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 16 K 8.11 4.11 0.00 1.63 1.80 0.00 1.35 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.27 7.81 17 P 0.00 4.34 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 18 G 9.25 3.89 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 0.00 0.00 0.00 19 Y 7.76 4.79 0.00 3.13 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 20 P 0.00 4.61 0.00 2.54 2.15 0.00 4.21 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 21 E 8.87 4.35 0.00 2.07 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 0.00 2.53 2.38 0.00 22 K 7.87 4.70 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.45 7.81 23 I 8.37 4.08 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 1.04 0.00 0.00 24 A 7.84 4.26 1.27 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 0.00 0.00 0.00 25 G 9.95 3.90 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 0.00 0.00 0.00 26 S 7.85 4.66 0.00 3.96 4.04 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 27 K 8.18 4.03 0.00 1.60 1.74 0.00 1.18 0.00 0.00 1.43 0.00 0.00 2.68 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.78 0.21 7.81 28 Y 7.22 4.76 0.00 3.06 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 29 D 7.89 4.48 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 1.63 2.07 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 31 K 8.44 3.76 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.63 7.81 32 H 7.63 4.40 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.62 4.55 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.24 0.00 2.06 2.13 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 35 V 8.24 3.72 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 0.99 0.00 0.00 0.93 0.00 0.00 36 E 8.37 3.95 0.00 2.12 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 2.38 2.46 0.00 37 L 7.85 4.01 0.00 1.83 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.78 4.70 0.00 2.69 2.83 0.00 0.00 6.87 8.35 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 39 K 7.75 3.96 0.00 1.85 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.75 7.81 40 Q 7.99 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 E 8.10 3.94 0.00 2.02 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 0.00 2.37 2.36 0.00 42 E 8.24 3.98 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 2.30 2.31 0.00 43 S 8.04 4.08 0.00 4.03 4.04 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 44 I 7.84 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.95 0.00 0.00 45 K 8.03 3.88 0.00 2.00 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.84 4.00 1.36 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 47 M 8.19 3.94 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 48 D 8.60 4.38 0.00 2.91 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 49 A 7.88 3.98 1.38 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 0.00 0.00 0.00 50 R 7.94 3.82 0.00 1.97 1.84 0.00 3.04 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 51 N 8.22 4.27 0.00 2.89 2.89 0.00 0.00 6.91 7.27 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 52 A 8.09 3.96 1.37 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 0.00 0.00 0.00 53 K 7.84 3.81 0.00 1.87 1.91 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 54 R 7.67 3.60 0.00 1.93 1.43 0.00 3.02 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.72 0.00 55 I 8.03 3.76 1.87 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.95 0.00 0.00 56 A 8.13 3.97 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 57 N 8.04 4.16 0.00 2.70 2.77 0.00 0.00 6.94 7.50 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 58 A 7.58 4.43 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 59 K 7.88 3.95 0.00 1.98 2.01 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 S 7.72 4.49 0.00 4.00 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 61 S 8.69 4.46 0.00 3.98 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 62 G 8.18 3.96 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 0.00 0.00 0.00 63 N 7.79 4.96 0.00 2.77 2.66 0.00 0.00 6.70 9.05 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 64 F 8.85 4.47 0.00 3.11 2.92 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 0.00 0.00 0.00 65 V 7.44 4.56 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 0.96 0.00 0.00 0.94 0.00 0.00 66 F 9.28 4.22 0.00 3.26 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 67 D 8.23 4.56 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 68 V 7.80 4.24 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 0.46 0.00 0.00 0.85 0.00 0.00 69 K 8.43 3.99 0.00 1.64 1.61 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81