NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9512 8.2014 109.7364 45.0791 0.0000 174.8234 -1 G 3.2925 8.5544 110.9967 48.1517 0.0000 174.3173 0 S 4.0465 7.4254 111.0651 59.6159 63.4375 173.9691 0 E 3.9265 7.5354 115.5651 57.9159 29.5374 175.9691 3 R 3.9104 7.9869 116.9329 58.9599 29.3666 178.7145 4 I 3.6821 7.2928 118.9640 63.6388 37.9927 177.9043 5 K 4.0071 7.9756 119.0383 59.2579 31.8669 178.9281 6 E 3.9451 8.1489 118.4975 59.3853 29.2255 178.9452 7 L 3.9193 7.9501 119.2750 58.1217 42.2009 178.6012 8 R 4.0153 8.0875 117.9335 59.4687 30.0882 177.6264 9 N 4.4895 8.2535 115.9659 56.4283 38.9001 178.1271 10 L 4.2006 8.1266 121.4674 54.5941 41.5401 178.8989 *12 S 4.4741 8.0697 114.7162 57.8434 65.1105 174.4937 13 Q 4.6587 7.5499 119.4692 53.4488 31.5664 176.4610 14 S 4.1392 8.6856 120.3121 61.3803 62.9880 176.7505 15 R 3.8501 7.8652 121.9970 59.6255 29.9919 178.5457 16 T 3.9058 7.8309 109.0932 64.4437 68.8630 176.3050 17 R 3.8285 8.1364 121.7596 59.2005 30.1483 177.7702 18 E 3.9072 8.3998 119.3723 59.5464 29.5934 178.6129 19 I 3.6972 7.8565 119.5068 64.7886 37.0553 178.5326 20 L 4.0524 8.0559 118.5805 57.7197 41.4660 179.2366 21 T 4.1610 7.9556 109.0310 63.7895 69.1956 176.4312 22 K 4.3701 7.9814 119.4653 56.3342 32.9309 176.8901 23 T 4.2772 7.4935 116.9338 62.7727 69.2372 174.8599 24 T 4.2846 8.2420 116.5308 60.6007 70.2414 175.8212 25 V 3.5892 8.3485 122.4653 66.2609 31.7790 176.9483 26 D 4.4954 8.1973 118.0778 57.9257 41.3785 177.5350 27 H 4.5583 7.8330 116.4367 55.4271 27.6494 176.1087 *29 A 4.1690 7.8161 125.8429 52.4191 20.1571 178.7235 30 I 3.7479 7.4624 114.0524 65.2988 37.1792 177.8553 31 I 3.9945 8.6760 120.2724 64.8154 37.1112 178.9215 32 K 4.0754 8.0353 118.4806 58.9163 31.6654 179.0863 33 K 3.7263 8.0659 119.9753 58.6161 31.9822 176.8995 34 Y 4.7271 7.2811 114.8453 58.0508 38.4674 175.8208 35 T 4.2208 7.4877 122.6571 63.8130 68.6609 174.8469 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 -2 G 8.20 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 -1 G 8.55 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 0.00 0.00 0.00 0 S 7.43 4.05 0.00 3.95 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 E 7.54 3.93 0.00 2.12 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 0.00 2.33 2.25 0.00 3 R 7.99 3.91 0.00 2.08 2.23 0.00 2.77 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 4 I 7.29 3.68 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 1.64 1.46 0.94 0.00 0.00 5 K 7.98 4.01 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 6 E 8.15 3.95 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 7 L 7.95 3.92 0.00 1.60 1.86 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.09 4.02 0.00 1.82 2.12 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 N 8.25 4.49 0.00 2.82 2.97 0.00 0.00 7.31 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 10 L 8.13 4.20 0.00 1.89 1.67 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 8.07 4.47 0.00 4.04 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 13 Q 7.55 4.66 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 14 S 8.69 4.14 0.00 4.04 4.13 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 15 R 7.87 3.85 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 16 T 7.83 3.91 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 1.21 0.00 0.00 17 R 8.14 3.83 0.00 1.91 2.21 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 18 E 8.40 3.91 0.00 2.25 2.15 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 2.32 2.37 0.00 19 I 7.86 3.70 2.04 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 1.53 0.77 0.92 0.00 0.00 20 L 8.06 4.05 0.00 1.71 1.74 0.92 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 21 T 7.96 4.16 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 1.23 0.00 0.00 22 K 7.98 4.37 0.00 1.87 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 23 T 7.49 4.28 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 1.25 0.00 0.00 24 T 8.24 4.28 4.16 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 1.16 0.00 0.00 25 V 8.35 3.59 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 0.81 0.00 0.00 0.93 0.00 0.00 26 D 8.20 4.50 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.56 0.00 3.33 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 A 7.82 4.17 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 30 I 7.46 3.75 2.14 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 1.71 0.76 1.05 0.00 0.00 31 I 8.68 3.99 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.96 0.00 0.00 32 K 8.04 4.08 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.55 7.81 33 K 8.07 3.73 0.00 1.47 1.13 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.50 1.11 7.81 34 Y 7.28 4.73 0.00 2.95 2.94 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 35 T 7.49 4.22 4.44 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.