NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.2609 8.1593 110.9345 61.8768 69.6405 172.5477 17 S 4.5181 8.2700 115.9084 55.3863 65.3044 171.3933 18 P 4.1718 0.0000 0.0000 63.1443 32.6213 178.7733 19 S 4.1644 7.9119 114.8338 60.8216 63.4110 175.9259 20 Y 4.3755 7.2338 120.0901 60.7037 37.5735 178.2847 21 V 3.8431 7.8994 119.2087 65.5833 31.3216 177.7393 22 K 3.9853 7.6357 117.8504 59.3929 32.4151 178.3598 23 F 4.5699 7.4935 116.5790 58.0627 39.8822 175.4794 24 F 4.4863 8.1640 119.3793 57.3068 38.7885 176.2505 25 T 4.3902 7.4863 111.5843 61.2194 71.6012 174.8662 26 Q 4.0262 8.4980 120.7167 58.9251 28.5492 178.5490 27 S 4.0662 8.1019 112.9546 61.9113 62.4719 175.8251 28 N 4.4524 8.0929 118.4642 56.1617 38.0956 177.4728 29 L 3.9935 7.8310 120.0777 57.8604 41.4487 179.4195 30 E 4.0275 8.0324 117.8032 58.9110 29.6092 178.7062 31 K 4.2585 7.7234 117.0101 57.3259 32.2655 178.8183 32 L 3.9759 7.5232 122.1052 57.4674 41.5419 176.7121 33 P 4.2647 0.0000 0.0000 65.7576 31.3296 178.2678 34 K 3.9157 8.1493 116.4204 59.7785 32.1084 178.1740 35 Y 4.1075 7.8647 119.3360 60.9954 38.4062 178.7167 36 K 3.9238 8.2040 118.2590 59.6015 32.5485 178.8399 37 E 4.0999 7.8697 116.9384 58.9601 29.5153 178.8107 38 K 3.9318 7.9283 119.7171 58.7846 32.2431 178.2599 39 K 3.8648 7.4289 118.6280 58.1057 32.9858 177.6724 40 A 4.2404 7.5840 123.7612 52.3540 16.5901 176.2420 41 A 4.3491 7.3930 124.1857 54.0829 21.5679 178.4276 *60 T 4.2657 7.6371 107.8371 61.3523 69.1958 172.9462 61 C 4.6121 7.5715 112.6878 57.8710 32.7731 174.4413 62 A 3.2074 8.2357 123.2483 55.3594 18.0380 180.1278 63 L 3.6831 7.5273 114.7062 57.7293 41.7392 179.3206 64 D 4.3584 7.2559 117.6740 57.2696 40.7811 177.3416 65 Y 3.9956 7.6466 114.7974 59.1187 38.1699 175.9306 66 L 4.3574 7.7782 119.6623 54.1817 41.6763 176.0744 67 I 4.5555 7.2578 119.4072 58.4741 39.9010 173.6374 68 P 4.2829 0.0000 0.0000 62.0419 31.7040 174.5506 69 P 4.3530 0.0000 0.0000 62.0953 31.8770 173.9223 70 P 4.6903 0.0000 0.0000 61.3220 32.9506 175.3895 71 M 4.2320 8.2517 118.5516 54.3863 32.3976 175.0070 72 P 4.3589 0.0000 0.0000 62.8882 32.1786 176.5794 73 K 4.0735 8.7973 121.6809 59.6106 32.2304 177.7946 74 N 4.5295 7.9462 114.3153 53.2781 39.0375 175.2366 75 Q 4.5088 8.2785 121.1672 53.9911 28.5130 175.1223 76 Q 4.3667 7.7998 114.9879 55.2789 30.3739 176.0839 77 Y 4.6860 7.6737 115.6524 59.5702 39.4997 176.6399 78 R 3.8682 8.1166 117.6661 56.9658 30.3705 175.8417 79 A 4.3892 8.4636 124.2398 51.9966 21.4125 176.0411 80 F 5.0268 8.6424 113.0554 52.9513 39.3719 175.1250 81 G 3.5069 8.3367 112.1327 45.2525 0.0000 170.5906 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 16 T 8.16 4.26 4.20 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 1.18 0.00 0.00 17 S 8.27 4.52 0.00 4.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.17 0.00 2.12 2.01 0.00 3.65 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 2.12 2.14 0.00 19 S 7.91 4.16 0.00 3.81 3.91 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 20 Y 7.23 4.38 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.84 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 1.06 0.00 0.00 0.96 0.00 0.00 22 K 7.64 3.99 0.00 1.74 1.69 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.43 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.58 0.54 7.81 23 F 7.49 4.57 0.00 2.90 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 24 F 8.16 4.49 0.00 3.26 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 25 T 7.49 4.39 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 26 Q 8.50 4.03 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 27 S 8.10 4.07 0.00 3.86 3.92 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 28 N 8.09 4.45 0.00 2.77 2.75 0.00 0.00 7.12 6.35 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 29 L 7.83 3.99 0.00 1.92 1.75 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.03 4.03 0.00 2.10 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 2.36 2.60 0.00 31 K 7.72 4.26 0.00 1.74 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.70 7.81 32 L 7.52 3.98 0.00 1.82 1.81 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.26 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 34 K 8.15 3.92 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.54 7.81 35 Y 7.86 4.11 0.00 3.05 3.14 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 36 K 8.20 3.92 0.00 2.06 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.71 7.81 37 E 7.87 4.10 0.00 2.19 2.18 0.00 0.00 0.00 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 2.30 0.00 38 K 7.93 3.93 0.00 1.72 1.93 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.38 7.81 39 K 7.43 3.86 0.00 1.45 1.72 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.21 7.81 40 A 7.58 4.24 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 41 A 7.39 4.35 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 *60 T 7.64 4.27 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 1.26 0.00 0.00 61 C 7.57 4.61 0.00 3.07 2.95 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 62 A 8.24 3.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.68 0.00 0.61 1.16 0.47 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.26 4.36 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.00 0.00 2.73 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 66 L 7.78 4.36 0.00 1.45 1.50 0.69 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.26 4.56 1.98 0.00 0.00 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 1.44 0.59 0.91 0.00 0.00 68 P 0.00 4.28 0.00 2.04 2.01 0.00 3.70 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 2.05 2.12 0.00 69 P 0.00 4.35 0.00 2.13 1.97 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 70 P 0.00 4.69 0.00 2.17 2.08 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 71 M 8.25 4.23 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 72 P 0.00 4.36 0.00 2.34 2.12 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 73 K 8.80 4.07 0.00 1.74 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 74 N 7.95 4.53 0.00 2.64 2.65 0.00 0.00 6.72 7.69 0.00 0.00 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 8.28 4.51 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 76 Q 7.80 4.37 0.00 1.76 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.86 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 77 Y 7.67 4.69 0.00 3.01 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 78 R 8.12 3.87 0.00 1.79 1.91 0.00 3.15 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 79 A 8.46 4.39 0.62 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 0.00 0.00 80 F 8.64 5.03 0.00 3.05 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 81 G 8.34 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.