NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3733 8.3033 118.9297 56.2468 31.7702 174.1867 8 L 5.1117 8.2710 120.1763 52.9304 44.9832 170.4797 9 V 5.0319 9.0041 114.0697 59.6888 36.9231 173.8157 10 L 5.0791 8.8280 125.2140 53.2942 44.3039 175.2671 11 A 4.4803 8.9016 128.9505 52.0078 18.6619 178.0960 12 L 3.8771 8.9389 124.0119 57.1328 42.3541 176.7779 13 Y 4.9212 7.4765 113.7839 56.1495 42.2438 174.7279 14 D 4.8431 8.7698 120.5877 54.9479 42.1906 175.7888 15 Y 4.7341 9.1022 122.8034 56.6505 42.4325 173.1133 16 Q 4.7089 8.0580 128.6138 53.9956 30.5043 174.8484 17 E 4.1648 8.7483 125.1975 57.1205 29.7222 177.1721 18 K 4.5707 9.5336 121.1453 56.0081 33.9207 175.8380 19 S 4.7056 7.5827 112.8044 55.7629 66.0533 172.8852 20 P 4.2085 0.0000 0.0000 65.7287 31.1965 177.7434 21 G 3.9314 7.6733 104.9487 45.9502 0.0000 173.1414 22 E 5.3605 7.9900 119.9932 55.5842 31.0161 175.8835 23 V 4.7037 8.4668 119.5681 60.4947 34.6577 175.1138 24 T 5.0817 8.6447 118.2980 62.8235 70.1113 173.9271 25 M 5.0305 9.2326 121.3701 53.8701 35.5389 173.7300 26 K 5.0369 9.3893 119.1709 54.0069 35.4804 176.0246 27 K 4.0791 9.5692 125.6467 58.4779 32.4510 176.9695 28 G 4.0314 8.9863 115.0291 45.1686 0.0000 173.6504 29 D 4.5244 8.1201 119.9218 54.6410 42.1938 175.7209 30 I 4.7264 8.3297 122.7546 60.0108 38.5178 174.9932 31 L 4.9038 8.9261 127.8167 53.3044 44.8548 175.8426 32 T 4.6976 8.3019 118.5199 62.4299 70.0813 173.8737 33 L 4.3360 8.8303 130.2695 55.0082 41.9595 176.1046 34 L 4.3718 8.8270 127.3304 56.5997 43.1509 177.2556 35 N 4.7490 7.7397 117.8387 52.1174 41.8445 174.9131 36 S 4.3028 8.2775 121.6171 57.9004 63.4523 176.1556 37 T 3.9827 8.4604 113.8724 64.5178 68.8492 173.8797 38 N 4.9183 7.4924 118.0252 52.0046 39.9551 175.0413 39 K 4.4011 8.7649 123.7080 58.8667 33.6076 177.1294 40 D 4.4854 8.4218 118.8341 54.5025 43.2458 176.3636 41 W 5.2451 8.8264 117.5579 54.5663 32.3413 175.1697 42 W 5.4130 9.2295 124.5243 54.8956 31.7056 174.8494 43 K 4.2971 9.0830 126.1587 55.7759 32.9960 176.0195 44 V 4.9994 8.9836 119.9036 59.5900 36.8978 173.8875 45 E 4.9459 9.1230 122.8795 54.6799 32.0030 174.8817 46 V 3.9477 8.9782 128.8629 63.0991 32.7648 177.4306 47 N 4.2256 9.3151 130.9471 54.5070 38.1834 174.2806 48 D 4.9616 9.4158 109.4244 52.7769 40.7626 176.3342 49 R 4.8408 8.2050 118.2968 54.9177 34.0018 174.4768 50 Q 5.0569 9.2962 119.4427 53.6851 32.7278 175.2802 51 G 3.9376 7.7264 107.6138 46.7886 0.0000 170.9604 52 F 5.5729 8.4429 118.2872 56.5958 41.0911 176.1130 53 V 4.9742 8.9197 114.1105 58.8171 36.7443 173.3295 54 P 3.2745 0.0000 0.0000 61.8684 31.4958 177.5777 55 A 2.8156 7.9939 126.7349 54.7852 18.1882 179.4917 56 A 3.8629 7.0792 116.8428 54.7234 18.7197 177.5415 57 Y 4.9160 7.6132 112.7561 58.4660 38.2731 175.1431 58 V 5.0702 7.3085 112.5342 59.3521 36.1087 174.8952 59 K 4.6669 8.8317 123.1478 54.2834 35.1603 175.6552 60 K 4.5403 9.1031 127.0245 56.8504 32.8290 176.9100 61 L 4.3592 8.4802 123.5292 54.8840 41.3788 176.5141 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 7 E 8.30 4.37 0.00 2.02 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 0.00 2.18 2.26 0.00 8 L 8.27 5.11 0.00 1.69 1.60 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.00 5.03 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 0.87 0.00 0.00 1.04 0.00 0.00 10 L 8.83 5.08 0.00 1.72 1.51 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.90 4.48 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 12 L 8.94 3.88 0.00 1.12 0.85 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.48 4.92 0.00 2.60 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 14 D 8.77 4.84 0.00 2.62 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 15 Y 9.10 4.73 0.00 3.30 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 16 Q 8.06 4.71 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 17 E 8.75 4.16 0.00 2.08 1.95 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 2.32 2.33 0.00 18 K 9.53 4.57 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.40 7.81 19 S 7.58 4.71 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 2.05 2.18 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 21 G 7.67 3.93 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 0.00 0.00 0.00 22 E 7.99 5.36 0.00 2.16 2.26 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 2.58 2.19 0.00 23 V 8.47 4.70 2.16 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 0.86 0.00 0.00 1.00 0.00 0.00 24 T 8.64 5.08 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 1.30 0.00 0.00 25 M 9.23 5.03 0.00 2.15 2.19 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 2.65 2.77 0.00 26 K 9.39 5.04 0.00 1.95 1.74 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.51 7.81 27 K 9.57 4.08 0.00 1.69 1.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.36 7.81 28 G 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.12 4.52 0.00 2.74 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 30 I 8.33 4.73 1.88 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 1.35 0.84 0.92 0.00 0.00 31 L 8.93 4.90 0.00 1.61 1.73 1.00 0.49 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 32 T 8.30 4.70 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 1.19 0.00 0.00 33 L 8.83 4.34 0.00 1.57 1.63 0.76 0.54 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 34 L 8.83 4.37 0.00 1.56 1.62 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.74 4.75 0.00 2.68 2.60 0.00 0.00 6.71 7.63 0.00 0.00 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 8.28 4.30 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.98 4.27 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 1.24 0.00 0.00 38 N 7.49 4.92 0.00 2.92 3.29 0.00 0.00 7.21 6.56 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 39 K 8.76 4.40 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 40 D 8.42 4.49 0.00 2.81 2.45 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 0.00 0.00 0.00 0.00 41 W 8.83 5.25 0.00 3.05 3.21 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 42 W 9.23 5.41 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.30 0.00 1.05 1.43 0.00 1.19 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 0.77 7.81 44 V 8.98 5.00 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 0.85 0.00 0.00 1.05 0.00 0.00 45 E 9.12 4.95 0.00 1.98 1.77 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 0.00 2.30 2.34 0.00 46 V 8.98 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 0.92 0.00 0.00 1.00 0.00 0.00 47 N 9.32 4.23 0.00 2.88 2.50 0.00 0.00 7.07 8.47 0.00 0.00 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 9.42 4.96 0.00 2.80 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 R 8.20 4.84 0.00 1.76 1.83 0.00 3.08 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 50 Q 9.30 5.06 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 51 G 7.73 3.94 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 0.00 0.00 0.00 52 F 8.44 5.57 0.00 3.10 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 53 V 8.92 4.97 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 1.01 0.00 0.00 1.03 0.00 0.00 54 P 0.00 3.27 0.00 0.49 0.49 0.00 2.53 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.46 0.00 55 A 7.99 2.82 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.08 3.86 1.13 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 0.00 0.00 57 Y 7.61 4.92 0.00 2.97 3.03 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 0.00 0.00 0.00 58 V 7.31 5.07 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 0.71 0.00 0.00 1.07 0.00 0.00 59 K 8.83 4.67 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 60 K 9.10 4.54 0.00 1.77 1.78 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.43 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.47 1.75 7.81 61 L 8.48 4.36 0.00 1.55 1.57 0.93 0.67 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