NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.7017 8.4249 119.4720 53.5947 39.8081 173.7448 16 D 4.5737 7.9733 118.4675 53.6995 43.0617 174.4429 17 H 5.3742 8.4994 116.5796 55.2956 30.6316 174.9110 18 I 4.7595 8.6403 113.7003 59.6012 41.6906 173.3087 19 N 5.4438 9.3527 121.1315 52.0031 40.7386 174.1515 20 L 5.2335 9.0810 122.8529 52.9536 45.7653 175.6716 21 K 5.0526 8.9560 122.2448 54.8376 35.1944 175.6658 22 V 4.6977 9.0076 123.2481 61.2770 34.3973 173.9149 23 A 5.0735 8.9877 131.1288 50.4446 21.0315 176.5270 24 G 4.2906 8.2957 110.5550 44.8754 0.0000 173.5030 25 Q 4.3917 8.5506 117.1552 56.2634 28.8644 176.1902 26 D 4.6935 8.0191 116.8228 52.8723 39.5693 177.6534 27 G 3.9512 8.2325 107.5078 45.8059 0.0000 174.1943 28 S 4.5982 8.0607 115.0313 57.8198 65.1000 173.6847 29 V 4.8237 8.1436 120.4958 61.5006 34.2193 174.2441 30 V 4.2653 8.8418 128.3455 61.1611 33.6497 173.8318 31 Q 4.9772 8.4100 129.0351 54.5802 30.3702 174.3912 32 F 5.0414 9.4803 124.9859 55.5236 42.8739 174.0011 33 K 5.0532 8.7383 122.0492 54.8348 34.0365 175.0311 34 I 4.7544 8.7868 126.5713 59.2661 42.1672 174.0953 35 K 4.4628 8.5422 126.5436 56.1468 32.8163 178.5264 36 R 3.8367 8.7811 122.7104 59.1118 30.1807 178.0771 37 H 5.0269 8.2632 113.0220 55.6348 28.9571 174.2366 38 T 4.3699 7.5256 117.2786 61.3843 69.5062 173.2544 39 P 4.4853 0.0000 0.0000 62.6425 32.0261 177.4581 40 L 3.9683 9.0598 122.2547 57.0965 41.3970 179.7179 41 S 4.0550 7.9741 114.4375 61.4715 62.6758 176.6405 42 K 3.9113 7.9357 121.9672 58.9297 31.7011 179.1623 43 L 3.5238 7.4077 120.2219 58.2417 42.1012 178.7241 44 M 3.3684 7.9439 119.0628 57.9242 31.6096 178.7431 45 K 3.9685 8.0864 119.6615 59.3597 32.3643 178.7758 46 A 3.9976 7.9697 121.1522 55.1621 18.2498 178.9917 47 Y 4.2144 8.1600 118.0584 61.2608 39.0189 178.0606 48 C 4.2223 8.4117 117.6390 62.8413 28.3633 176.0616 49 E 3.9500 8.4993 120.5096 59.5118 28.9346 179.7283 50 R 4.0039 8.0053 114.5070 58.8109 29.6600 177.9312 51 Q 4.1732 7.9485 116.6839 55.0480 29.0781 175.8828 52 G 3.8777 7.6066 107.5173 46.5791 0.0000 173.6058 53 L 4.7139 8.1149 118.5436 52.4277 44.2567 176.3850 54 S 4.5500 8.2509 115.4879 57.6884 63.2422 175.2923 55 M 4.4222 8.6271 126.3869 58.1288 32.2037 178.1010 56 R 4.1329 7.8279 118.1172 58.8274 30.5930 177.8296 57 Q 4.7079 7.6878 114.2857 55.9720 29.3200 174.8239 58 I 5.2064 7.6678 117.7207 60.6781 41.5159 175.2589 59 R 4.7790 8.9288 122.0520 54.5339 32.5837 174.0319 60 F 5.3764 9.1434 121.4343 56.0075 41.8964 174.8686 61 R 5.2795 9.5523 120.6216 54.7007 35.1041 173.9292 62 F 5.0836 8.9781 123.9230 56.9864 42.8673 174.4816 63 D 3.7907 8.8889 125.9672 55.4966 38.0432 174.1246 64 G 3.9820 8.3484 102.0865 46.2334 0.0000 173.6740 65 Q 4.6561 7.7555 118.1610 52.5694 31.8674 173.3302 66 P 4.8219 0.0000 0.0000 63.1624 32.3316 175.6994 67 I 4.4314 8.2091 123.8368 60.0628 37.6919 175.6776 68 N 4.7767 8.7934 125.2191 51.9834 38.8042 176.1224 69 E 3.7300 8.8746 117.9223 58.5139 29.6492 178.0454 70 T 4.3826 7.5945 106.7003 61.4033 70.1983 174.7427 71 D 5.3454 7.7718 122.7082 54.2836 41.6349 175.3276 72 T 4.9786 7.9488 111.2969 58.7528 73.1317 173.1369 73 P 4.0597 0.0000 0.0000 65.7330 31.2370 178.7151 74 A 3.8885 8.0964 119.5293 55.3756 18.3234 179.3882 75 Q 3.9461 8.1019 117.8963 58.9441 28.7966 177.6351 76 L 4.5887 7.7044 117.0826 53.4360 42.0156 176.1033 77 E 3.8546 8.2905 117.5881 57.4168 27.7303 175.0026 78 M 4.3870 8.0310 116.9152 55.3647 32.9257 175.7543 79 E 4.7228 9.9868 121.4524 53.7738 32.9289 175.1875 80 D 4.4787 8.4340 119.4183 56.2613 41.4049 176.0186 81 E 3.9093 9.3462 124.5456 57.0064 27.6815 174.3598 82 D 4.7877 7.8328 118.7723 54.7787 42.2572 175.3055 83 T 5.1309 8.6164 116.6328 62.0253 71.4714 173.4945 84 I 4.7750 9.2071 127.0539 60.0215 39.7584 174.4174 85 D 5.0187 9.3249 126.9492 53.0409 42.6894 175.8657 86 V 4.5664 7.6767 121.5498 59.7165 34.1278 174.9343 87 F 4.7671 9.1127 122.4333 55.7183 42.5986 174.3275 88 Q 4.6591 8.9070 124.9783 54.7374 28.8302 177.7273 89 Q 4.4342 8.3065 132.0136 55.8048 25.3256 174.1807 90 Q 4.2612 7.6778 123.3567 55.1405 28.5659 177.3997 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 15 N 8.42 4.70 0.00 2.82 2.89 0.00 0.00 7.05 7.59 0.00 0.00 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 D 7.97 4.57 0.00 2.80 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 17 H 8.50 5.37 0.00 3.03 3.22 0.00 5.66 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 18 I 8.64 4.76 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.89 0.00 0.00 19 N 9.35 5.44 0.00 2.85 2.78 0.00 0.00 7.02 7.56 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 20 L 9.08 5.23 0.00 1.58 1.51 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.96 5.05 0.00 1.74 1.73 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 22 V 9.01 4.70 2.21 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 0.34 0.00 0.00 1.12 0.00 0.00 23 A 8.99 5.07 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 24 G 8.30 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 0.00 0.00 0.00 0.00 25 Q 8.55 4.39 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.25 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 26 D 8.02 4.69 0.00 2.77 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 27 G 8.23 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 28 S 8.06 4.60 0.00 3.95 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 29 V 8.14 4.82 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 30 V 8.84 4.27 2.32 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 0.43 0.00 0.00 1.06 0.00 0.00 31 Q 8.41 4.98 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 32 F 9.48 5.04 0.00 3.01 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 33 K 8.74 5.05 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 I 8.79 4.75 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.91 0.00 0.00 35 K 8.54 4.46 0.00 1.68 1.84 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.26 7.81 36 R 8.78 3.84 0.00 1.72 1.80 0.00 3.05 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 37 H 8.26 5.03 0.00 3.27 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.53 4.37 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 1.16 0.00 0.00 39 P 0.00 4.49 0.00 2.16 2.14 0.00 3.66 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 2.02 1.95 0.00 40 L 9.06 3.97 0.00 1.53 1.56 0.79 0.55 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 S 7.97 4.06 0.00 4.13 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 42 K 7.94 3.91 0.00 1.89 1.81 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.38 7.81 43 L 7.41 3.52 0.00 1.40 1.50 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.94 3.37 0.00 1.24 1.79 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.81 0.00 45 K 8.09 3.97 0.00 1.88 1.75 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 A 7.97 4.00 1.32 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 47 Y 8.16 4.21 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.41 4.22 0.00 3.28 3.29 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 49 E 8.50 3.95 0.00 2.16 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 2.35 2.67 0.00 50 R 8.01 4.00 0.00 1.93 2.10 0.00 2.97 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 51 Q 7.95 4.17 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 52 G 7.61 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 53 L 8.11 4.71 0.00 1.62 1.62 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.25 4.55 0.00 3.87 3.74 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 55 M 8.63 4.42 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 56 R 7.83 4.13 0.00 1.80 2.02 0.00 3.16 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 57 Q 7.69 4.71 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 58 I 7.67 5.21 1.98 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 1.61 1.02 0.51 0.00 0.00 59 R 8.93 4.78 0.00 1.90 2.04 0.00 2.70 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 60 F 9.14 5.38 0.00 2.93 2.99 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 0.00 0.00 0.00 61 R 9.55 5.28 0.00 1.89 1.87 0.00 2.97 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 62 F 8.98 5.08 0.00 3.10 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 63 D 8.89 3.79 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 65 Q 7.76 4.66 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 66 P 0.00 4.82 0.00 2.11 2.09 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 67 I 8.21 4.43 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.86 0.00 0.00 68 N 8.79 4.78 0.00 2.83 2.98 0.00 0.00 6.58 7.77 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 69 E 8.87 3.73 0.00 1.97 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 2.31 2.23 0.00 70 T 7.59 4.38 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 71 D 7.77 5.35 0.00 2.64 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 72 T 7.95 4.98 4.35 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 0.00 0.00 0.00 1.22 0.00 0.00 73 P 0.00 4.06 0.00 2.18 2.03 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 74 A 8.10 3.89 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 75 Q 8.10 3.95 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 76 L 7.70 4.59 0.00 1.58 1.71 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.29 3.85 0.00 2.14 2.06 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 2.27 2.28 0.00 78 M 8.03 4.39 0.00 1.70 1.79 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.21 0.00 79 E 9.99 4.72 0.00 1.89 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 2.23 2.24 0.00 80 D 8.43 4.48 0.00 2.64 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 81 E 9.35 3.91 0.00 2.15 2.12 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 2.23 2.42 0.00 82 D 7.83 4.79 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 83 T 8.62 5.13 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 1.25 0.00 0.00 84 I 9.21 4.78 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 1.12 0.00 0.00 85 D 9.32 5.02 0.00 2.68 2.34 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 86 V 7.68 4.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.16 0.00 0.00 87 F 9.11 4.77 0.00 2.92 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 88 Q 8.91 4.66 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 89 Q 8.31 4.43 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 90 Q 7.68 4.26 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00