NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2678 8.3149 120.1289 55.9865 33.7325 175.3845 7 E 4.0544 8.4687 122.9794 55.9282 31.0703 173.9776 8 L 5.2471 9.0902 123.9360 53.2871 44.7690 175.7715 9 V 5.5480 8.7080 115.5083 58.6488 35.9827 174.1360 10 L 4.9583 8.1874 124.3230 53.1630 44.6245 175.5242 11 V 4.1265 8.8356 127.2312 63.0140 30.8541 176.2081 12 L 3.8102 8.7191 129.4681 57.0279 41.9825 176.6491 13 Y 5.1094 7.4470 113.5663 55.9179 42.5616 174.7625 14 D 4.7857 8.9742 120.6244 54.4488 41.2734 175.7184 15 Y 4.7744 9.0314 124.9793 55.7733 41.7825 174.0764 16 Q 4.4355 7.9659 124.2539 54.0438 31.1535 175.1300 17 E 4.1937 8.4585 120.1315 56.7913 30.1473 176.9789 18 K 4.6018 8.3936 115.7869 56.1883 34.8902 176.6706 19 S 4.7207 7.7095 110.0897 55.4946 66.1387 172.0042 20 P 4.2619 0.0000 0.0000 64.1329 31.8576 176.8582 21 R 3.6875 8.5587 118.4582 56.5706 26.8951 175.6111 22 E 4.6334 8.0649 116.2122 55.3624 31.0860 173.7066 23 V 3.4148 7.4009 125.8528 60.1476 32.7120 175.9288 24 T 5.0013 8.3375 120.5420 59.3427 66.2239 173.5006 25 V 3.9476 7.8690 124.4313 61.5123 33.6303 176.7907 26 K 4.7026 8.0830 122.7498 54.6919 34.8217 175.2536 27 K 4.2391 8.5192 123.0463 56.8424 33.3242 177.8713 28 G 4.0480 8.9561 113.4315 45.6643 0.0000 173.7227 29 D 4.6492 7.4799 118.5764 54.5003 42.1473 175.2963 30 I 5.0563 8.1868 120.4095 59.8649 40.1677 174.7784 31 L 4.7741 8.8253 124.0103 53.8176 46.7987 175.5617 32 T 4.6283 8.1693 117.2943 61.9595 69.2554 174.0622 33 L 4.2676 8.3331 130.1934 55.2280 39.4785 176.3426 34 L 4.1328 8.2165 123.6428 57.0311 42.6612 177.0210 35 N 4.7236 8.3475 119.5199 52.1052 42.1076 175.0567 36 S 4.4221 8.3107 123.7972 58.1042 63.5497 174.7575 37 T 4.2271 8.8769 110.5187 62.9022 69.5123 173.5858 38 N 5.0289 8.0844 121.8683 51.6441 40.7834 174.1361 39 K 4.1219 9.1701 127.6552 59.5493 32.4948 176.6470 40 D 4.6029 9.2098 116.1991 53.9571 41.6052 175.7120 41 W 4.7429 8.2565 118.3874 54.9549 31.9031 174.2546 42 W 5.1975 8.5762 124.4980 55.4707 30.9448 175.8148 43 K 3.9683 8.9879 126.2429 55.1990 32.1329 176.3407 44 V 4.5354 7.9941 121.6278 60.1050 34.5931 174.9796 45 E 4.7424 8.5008 120.3360 54.9678 32.3531 174.2648 46 V 4.3608 8.6728 121.2097 60.4160 34.1988 176.3498 47 D 4.1743 8.8873 124.4148 55.7850 41.0072 175.2037 48 D 5.1000 8.7750 123.2083 53.7146 41.4398 175.6978 49 R 4.6353 8.2810 116.9036 55.2183 34.7910 175.1997 50 Q 4.9737 8.8950 119.7157 53.5365 31.8113 174.2704 51 G 4.1229 6.7111 103.0342 47.0557 0.0000 171.3970 52 F 5.4752 8.3970 116.9294 56.0872 43.3231 174.9700 53 I 4.2681 8.7842 120.5953 59.0127 41.9408 172.6947 54 P 2.9700 0.0000 0.0000 62.6829 31.9044 176.6237 55 A 3.6151 7.7007 123.3993 52.7009 17.7889 177.8392 56 A 4.1976 7.6862 118.1378 52.8553 19.9463 177.7589 57 Y 4.4441 7.6532 112.9722 58.0158 38.6704 175.0027 58 L 5.2648 7.3424 118.8885 52.8400 44.9851 175.1491 59 K 4.8554 8.3808 121.4459 54.3386 36.6442 175.0502 60 K 4.4587 8.6376 122.7780 56.8772 33.4012 177.3356 61 L 4.7854 8.8386 124.5425 52.5845 43.1568 176.5495 62 D 4.4738 8.2776 121.2535 53.1322 39.7135 177.3208 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 6 K 8.31 4.27 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 7 E 8.47 4.05 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 8 L 9.09 5.25 0.00 1.73 1.55 0.97 0.86 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 9 V 8.71 5.55 2.27 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 0.93 0.00 0.00 0.99 0.00 0.00 10 L 8.19 4.96 0.00 1.72 1.47 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.84 4.13 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 1.07 0.00 0.00 0.95 0.00 0.00 12 L 8.72 3.81 0.00 1.02 0.28 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.45 5.11 0.00 2.92 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 14 D 8.97 4.79 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 4.77 0.00 2.49 2.58 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 0.00 0.00 0.00 16 Q 7.97 4.44 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.79 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 17 E 8.46 4.19 0.00 1.95 1.97 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 2.68 2.32 0.00 18 K 8.39 4.60 0.00 1.96 1.82 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.33 1.43 7.81 19 S 7.71 4.72 0.00 3.98 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 20 P 0.00 4.26 0.00 2.08 2.04 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 21 R 8.56 3.69 0.00 1.96 1.99 0.00 3.41 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 22 E 8.06 4.63 0.00 2.25 2.02 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 2.52 2.40 0.00 23 V 7.40 3.41 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 0.80 0.00 0.00 1.10 0.00 0.00 24 T 8.34 5.00 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 1.27 0.00 0.00 25 V 7.87 3.95 2.13 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 0.75 0.00 0.00 0.97 0.00 0.00 26 K 8.08 4.70 0.00 1.89 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 27 K 8.52 4.24 0.00 2.18 1.69 0.00 1.95 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.64 7.81 28 G 8.96 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 0.00 0.00 0.00 29 D 7.48 4.65 0.00 2.83 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 30 I 8.19 5.06 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 1.35 0.87 0.95 0.00 0.00 31 L 8.83 4.77 0.00 1.59 1.51 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.17 4.63 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 1.22 0.00 0.00 33 L 8.33 4.27 0.00 1.60 1.50 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.22 4.13 0.00 1.75 1.64 0.86 0.97 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 35 N 8.35 4.72 0.00 2.69 2.53 0.00 0.00 6.87 7.80 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 36 S 8.31 4.42 0.00 2.72 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 37 T 8.88 4.23 4.26 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 0.00 0.00 0.00 1.28 0.00 0.00 38 N 8.08 5.03 0.00 2.92 3.36 0.00 0.00 6.75 5.97 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 39 K 9.17 4.12 0.00 1.89 1.98 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 40 D 9.21 4.60 0.00 2.95 2.67 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 0.00 0.00 0.00 0.00 41 W 8.26 4.74 0.00 3.20 3.23 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 0.00 42 W 8.58 5.20 0.00 3.32 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 43 K 8.99 3.97 0.00 0.79 1.29 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.84 7.81 44 V 7.99 4.54 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 0.81 0.00 0.00 0.94 0.00 0.00 45 E 8.50 4.74 0.00 2.00 1.75 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 2.18 2.24 0.00 46 V 8.67 4.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.04 0.00 0.00 47 D 8.89 4.17 0.00 2.75 1.81 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 48 D 8.77 5.10 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.64 0.00 1.95 1.78 0.00 3.09 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 50 Q 8.90 4.97 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 51 G 6.71 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 0.00 0.00 0.00 52 F 8.40 5.48 0.00 3.32 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.78 4.27 1.68 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 1.26 0.76 0.24 0.00 0.00 54 P 0.00 2.97 0.00 1.68 1.56 0.00 2.20 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 55 A 7.70 3.62 -0.19 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 0.00 0.00 56 A 7.69 4.20 1.15 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 0.00 0.00 57 Y 7.65 4.44 0.00 2.93 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 58 L 7.34 5.26 0.00 1.28 1.60 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.38 4.86 0.00 1.70 1.56 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.42 7.81 60 K 8.64 4.46 0.00 1.83 1.88 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 61 L 8.84 4.79 0.00 1.74 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.28 4.47 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00