NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5187 8.3649 119.5493 53.1037 40.8107 174.8584 4 H 4.3745 8.4620 117.7972 56.5426 29.6201 168.9171 5 V 4.5107 8.4030 120.0342 61.5647 35.6674 173.2060 6 Y 5.0953 8.7977 123.5934 56.0338 41.4922 174.6125 7 K 4.4844 8.1975 122.9885 54.5489 35.3103 174.7376 8 I 4.8106 8.1660 126.1455 59.6111 39.5237 175.2380 9 V 4.5642 8.6966 119.9041 59.4494 35.3582 174.1562 10 E 5.0355 8.7162 123.8172 54.7250 30.9989 174.9931 11 L 4.9521 9.0185 126.3215 53.1003 46.3953 175.3183 12 T 4.9342 8.5336 115.7522 60.4082 69.5802 173.4737 13 G 4.1485 8.9249 116.3281 45.2117 0.0000 172.2349 14 S 5.4308 8.1710 115.3634 56.6183 65.8842 173.1223 15 S 4.7842 8.5550 116.6977 57.0444 65.8835 173.9943 16 P 4.9148 0.0000 0.0000 63.6162 31.6739 176.4508 17 N 4.6412 9.3450 116.8903 52.8048 39.7788 175.4086 18 G 2.9303 7.2745 103.8136 44.3641 0.0000 172.5589 19 I 3.6022 7.1405 119.3465 64.5729 37.0514 178.4047 20 E 3.9657 7.9365 118.8694 59.3099 29.2147 179.2261 21 E 3.8787 7.9900 117.9321 59.2652 29.6947 178.8379 22 A 4.0219 8.0979 121.1458 55.3197 18.4092 180.1401 23 V 3.4962 7.8511 117.5157 64.8033 31.4331 178.1689 24 N 4.1506 8.1609 117.2252 56.1870 38.3537 176.7794 25 N 4.2109 8.4280 117.7901 56.5219 38.7028 177.2965 26 A 3.9327 7.6735 121.3455 55.1458 18.3444 179.8416 27 I 3.5549 8.0928 118.5740 64.2701 37.2296 178.0163 28 A 3.9290 8.5629 122.0919 55.7708 16.7894 179.9830 29 R 3.8703 8.2844 115.5774 59.0561 30.0102 179.2504 30 A 4.3113 7.7878 120.5604 54.7818 18.2667 179.8479 31 G 3.4080 8.0488 103.7890 47.7913 0.0000 175.3860 32 E 4.0545 7.8785 119.9745 59.1857 29.5697 178.4553 33 T 4.2582 7.1554 110.6794 61.7513 68.4710 174.1332 34 L 4.4737 7.8918 119.9925 52.6284 44.0586 175.4516 35 R 4.4707 7.2996 114.5823 56.0508 32.4677 174.2467 36 H 4.1054 8.6974 114.6383 56.7653 25.4657 175.2201 37 L 4.3677 8.1492 118.9872 55.7667 42.0295 176.8105 38 R 4.8438 9.1733 123.0086 57.2594 31.8095 176.4968 39 W 5.5617 7.8063 113.8588 55.2063 31.8967 172.9508 40 F 5.3570 8.5668 114.6053 55.4115 41.3453 173.3917 41 E 4.5995 9.4838 119.6879 54.2804 33.0141 174.4282 42 V 4.3725 8.7267 127.5932 63.2899 31.5717 175.8729 43 V 4.1427 8.6137 127.8621 62.5951 32.7244 175.8992 44 D 4.5915 7.2798 119.0059 54.0635 44.2152 174.9071 45 T 5.1112 8.7905 121.3440 62.0786 71.7168 173.2099 46 R 4.7477 9.2470 124.5219 54.9726 35.2265 173.7778 47 G 4.0752 8.1361 104.6880 44.1980 0.0000 172.2702 48 H 4.9661 8.4221 120.4849 54.4638 32.0901 173.5218 49 I 4.8173 7.8255 124.9553 59.4142 39.5389 174.6836 50 E 4.5578 9.2173 127.4246 55.1859 33.3205 174.7916 51 G 3.7846 8.5626 114.2231 47.3294 0.0000 174.6449 52 G 4.1846 8.7055 109.6798 44.6276 0.0000 172.2940 53 R 4.5997 7.7514 114.5291 53.5050 32.7080 174.2885 54 V 3.9126 8.2438 119.6532 62.8604 31.7064 175.2842 55 N 4.8658 8.6398 124.1479 53.2923 39.7541 174.2236 56 H 5.1703 7.7464 116.4797 53.9006 33.5573 172.0346 57 W 4.9003 9.5645 123.4216 55.3394 31.3491 175.2858 58 Q 4.7406 9.5028 124.1093 54.3382 31.2846 174.4119 59 V 4.4099 8.5315 125.3585 61.3857 33.6053 174.4899 60 T 5.1105 8.8417 123.4353 61.0377 69.4533 173.6452 61 V 4.9993 8.9636 125.9306 60.3701 35.5643 173.2533 62 K 4.9865 9.5011 122.4714 54.7220 34.8538 175.1619 63 V 4.5976 8.8683 125.2778 60.9275 34.2738 174.2166 64 G 3.2775 8.4752 115.5589 43.9742 0.0000 172.3594 65 F 5.6634 8.4022 118.6661 55.2542 41.8924 173.9195 66 T 4.1003 8.8069 118.4543 63.6779 68.9199 173.9949 67 L 4.1672 8.4140 127.3184 54.5858 42.1951 174.5284 68 E 4.1606 9.2051 120.7350 56.8914 32.3270 176.1525 *69 G 3.7113 8.2186 112.3616 45.0052 0.0000 172.3508 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 3 D 8.36 4.52 0.00 2.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.46 4.37 0.00 2.93 2.79 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.40 4.51 1.99 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 1.07 0.00 0.00 0.91 0.00 0.00 6 Y 8.80 5.10 0.00 2.98 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 7 K 8.20 4.48 0.00 1.38 0.74 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.27 7.81 8 I 8.17 4.81 1.85 0.00 0.00 1.04 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 0.72 0.86 0.00 0.00 9 V 8.70 4.56 2.14 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 0.90 0.00 0.00 1.07 0.00 0.00 10 E 8.72 5.04 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 11 L 9.02 4.95 0.00 1.55 1.46 0.88 0.63 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 12 T 8.53 4.93 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 1.21 0.00 0.00 13 G 8.92 4.15 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 0.00 14 S 8.17 5.43 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.78 0.00 3.97 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 16 P 0.00 4.91 0.00 2.27 2.26 0.00 3.47 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 17 N 9.35 4.64 0.00 2.70 2.86 0.00 0.00 6.82 8.14 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 18 G 7.27 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 0.00 0.00 0.00 19 I 7.14 3.60 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.41 0.91 0.00 0.00 20 E 7.94 3.97 0.00 1.98 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 0.00 2.38 2.45 0.00 21 E 7.99 3.88 0.00 2.15 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 2.36 2.39 0.00 22 A 8.10 4.02 1.51 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 23 V 7.85 3.50 1.90 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 1.02 0.00 0.00 0.41 0.00 0.00 24 N 8.16 4.15 0.00 2.95 2.86 0.00 0.00 7.00 6.46 0.00 0.00 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 N 8.43 4.21 0.00 2.86 2.86 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.67 3.93 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 27 I 8.09 3.55 1.78 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.82 0.00 0.00 28 A 8.56 3.93 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 29 R 8.28 3.87 0.00 1.93 1.96 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 A 7.79 4.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.05 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.88 4.05 0.00 2.07 1.99 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 2.31 2.42 0.00 33 T 7.16 4.26 4.18 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 0.00 0.00 1.21 0.00 0.00 34 L 7.89 4.47 0.00 1.27 0.84 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.30 4.47 0.00 1.59 1.71 0.00 3.09 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 36 H 8.70 4.11 0.00 3.60 3.56 0.00 5.82 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 37 L 8.15 4.37 0.00 1.68 1.68 0.88 0.79 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 38 R 9.17 4.84 0.00 2.18 2.35 0.00 3.55 0.00 0.00 3.48 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 39 W 7.81 5.56 0.00 3.30 3.20 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 40 F 8.57 5.36 0.00 3.09 2.97 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 0.00 0.00 0.00 41 E 9.48 4.60 0.00 2.08 1.86 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 2.24 2.26 0.00 42 V 8.73 4.37 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 0.96 0.00 0.00 1.16 0.00 0.00 43 V 8.61 4.14 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 0.75 0.00 0.00 0.96 0.00 0.00 44 D 7.28 4.59 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.79 5.11 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 1.45 0.00 0.00 46 R 9.25 4.75 0.00 1.67 1.79 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 47 G 8.14 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.42 4.97 0.00 3.22 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.83 4.82 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.61 0.85 0.00 0.00 50 E 9.22 4.56 0.00 2.11 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 51 G 8.56 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.71 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.75 4.60 0.00 1.94 1.96 0.00 2.77 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 54 V 8.24 3.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.57 0.00 0.00 55 N 8.64 4.87 0.00 2.68 2.96 0.00 0.00 6.29 7.93 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 56 H 7.75 5.17 0.00 3.09 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.56 4.90 0.00 3.40 3.22 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 0.00 58 Q 9.50 4.74 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.53 4.41 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 1.04 0.00 0.00 1.04 0.00 0.00 60 T 8.84 5.11 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 1.33 0.00 0.00 61 V 8.96 5.00 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 0.64 0.00 0.00 1.09 0.00 0.00 62 K 9.50 4.99 0.00 1.70 1.73 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 63 V 8.87 4.60 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 0.95 0.00 0.00 0.90 0.00 0.00 64 G 8.48 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 5.66 0.00 3.26 3.07 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 0.00 0.00 0.00 0.00 66 T 8.81 4.10 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 0.88 0.00 0.00 67 L 8.41 4.17 0.00 1.58 1.57 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.21 4.16 0.00 2.01 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 2.10 2.31 0.00 *69 G 8.22 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.