NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2950 7.8833 121.0442 60.8928 40.0217 173.7898 2 R 5.3991 8.2837 124.8071 53.2737 33.0446 172.9505 3 C 4.9912 9.1650 121.2226 54.8098 45.4309 172.6689 4 F 5.0138 9.1785 120.0559 57.0924 39.2202 175.6819 5 I 4.5854 8.2266 122.5947 59.5492 40.2801 174.7107 6 T 4.3556 8.4317 119.7554 61.0140 67.8540 172.9312 7 P 4.5476 0.0000 0.0000 63.5546 32.2293 175.8228 8 D 4.5108 7.4154 121.4392 55.6845 41.1269 176.9143 *9 I 4.4597 8.1753 115.6398 59.6635 37.2259 175.6667 10 T 4.8129 7.5754 114.0145 60.6398 69.5163 173.6358 11 S 4.2787 8.7788 122.4486 58.5412 63.6834 173.5017 12 K 4.5610 8.5823 123.4657 54.8078 34.5254 174.8591 13 D 4.8473 8.4629 122.7828 53.8470 42.1613 176.9026 14 C 4.9151 9.3565 123.2138 54.0392 41.6518 172.7397 15 P 4.0361 0.0000 0.0000 65.1604 31.0947 177.6011 16 N 4.7064 8.1285 113.4897 52.5545 38.7045 174.2585 17 G 4.1387 7.4621 106.6940 44.3223 0.0000 173.1062 18 H 5.0303 9.7255 114.9123 55.0004 30.9866 174.3417 19 V 4.8167 7.7921 110.6810 59.8006 36.1334 174.9381 20 C 5.2553 10.4612 119.8619 55.5412 43.8275 172.6838 21 Y 6.1954 8.0607 119.3086 54.7735 41.7839 174.0851 22 T 5.1831 8.7764 116.6127 61.8788 72.6178 172.8652 23 K 5.3420 9.1821 124.8046 54.8914 35.6419 175.3846 24 T 5.7177 9.7132 115.1484 58.9391 72.4534 172.8251 25 W 5.4093 7.9197 118.5363 56.0931 31.7337 173.4610 26 C 5.2635 8.9974 117.5225 55.2398 40.3243 172.9884 27 D 4.9881 8.2391 119.9310 50.9091 41.9423 176.3813 28 A 4.1432 8.4306 120.9433 54.8309 18.3693 178.2578 29 F 4.5581 7.8453 113.0800 57.1520 39.6339 176.7208 30 C 4.0771 8.5067 123.6982 60.0556 43.5412 176.4243 31 S 4.0989 8.0739 113.6071 61.5660 62.6770 175.6079 32 I 3.9832 7.8327 119.4815 63.2241 36.9167 175.9871 33 R 4.2740 9.0784 116.8083 56.0037 31.9001 178.4293 34 G 4.1580 7.4597 104.5756 43.9870 0.0000 172.0008 35 K 4.1617 7.6116 119.6172 56.3244 32.8200 177.8313 36 R 3.9911 8.3020 121.6031 55.9546 31.4022 176.1678 37 V 4.9288 7.7558 113.5209 59.8067 36.2317 174.2498 38 D 5.0265 9.5455 123.5628 52.6483 44.2690 174.0581 39 L 4.9934 8.6012 125.6608 53.6556 44.4104 176.1194 40 G 3.8323 7.6001 109.0045 45.6251 0.0000 169.1521 41 C 5.4449 8.4828 112.9900 53.8874 43.4942 172.8195 42 A 4.7799 8.9369 120.7423 51.0331 22.5345 176.6930 43 A 4.2253 8.7184 120.1507 54.1949 19.4206 177.9802 44 T 4.7174 7.6415 103.0150 59.6314 72.4583 174.7556 45 C 4.2767 8.8935 122.9326 56.0528 43.6452 171.8314 46 P 4.4317 0.0000 0.0000 62.6777 31.5239 176.0761 47 T 4.0498 8.1622 116.8374 63.5216 68.9683 174.7516 48 V 4.2478 8.0902 119.5387 59.7857 33.6546 175.7795 49 K 4.4133 8.0646 121.9021 55.0843 33.4831 176.5607 50 T 4.0048 8.1891 118.2840 65.4897 68.6598 175.0082 51 G 3.9691 9.0983 114.0328 45.0672 0.0000 172.9088 52 V 4.7170 7.3498 118.9669 61.2226 33.8268 174.3882 53 D 5.0853 9.8065 125.5303 52.4359 44.6704 174.1075 54 I 5.1927 8.4322 123.5888 59.2628 41.3187 174.0949 55 Q 4.6890 9.5644 128.8978 54.5633 32.1612 173.1009 56 C 5.8021 9.0060 123.1158 55.3863 41.8719 172.1506 57 C 5.2932 9.1597 117.0743 53.3024 45.5527 173.7503 58 S 4.8496 8.3396 112.1272 58.5604 63.2512 173.9125 59 T 4.6265 7.6208 116.0539 62.2482 71.4303 173.7345 60 D 4.4328 8.5752 124.1139 55.9391 41.6737 175.3781 61 N 3.6310 10.8456 121.1349 54.2152 36.7292 172.6146 62 C 4.6911 7.7802 109.4829 56.1136 42.0044 173.4597 63 N 5.0173 7.8178 118.0638 51.8249 37.2940 172.8997 64 P 4.0837 0.0000 0.0000 62.9475 32.4039 175.8008 65 F 4.1510 8.1410 117.1580 57.9230 39.1352 174.2493 66 P 4.5718 0.0000 0.0000 62.4588 32.0405 175.7623 67 T 4.4081 8.4653 118.6247 64.0302 70.5323 173.8094 *68 R 4.0523 9.8562 129.3798 56.2011 27.1664 173.2568 *69 K 4.2578 9.3147 120.1546 55.2188 29.3910 181.0221 70 R 4.8775 7.4012 117.7890 57.3371 37.7400 176.1903 71 P 4.4987 0.0000 0.0000 63.1069 30.9619 176.1835 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 1 I 7.88 4.29 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.86 0.00 0.00 2 R 8.28 5.40 0.00 1.81 1.58 0.00 3.06 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 3 C 9.17 4.99 0.00 2.67 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.18 5.01 0.00 3.10 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 5 I 8.23 4.59 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.94 0.00 0.00 6 T 8.43 4.36 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 7 P 0.00 4.55 0.00 2.25 2.19 0.00 3.86 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 1.97 2.00 0.00 8 D 7.42 4.51 0.00 2.52 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 I 8.18 4.46 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 1.30 0.77 0.91 0.00 0.00 10 T 7.58 4.81 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 1.23 0.00 0.00 11 S 8.78 4.28 0.00 3.36 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 12 K 8.58 4.56 0.00 1.65 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.49 7.81 13 D 8.46 4.85 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.36 4.92 0.00 2.88 2.91 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 15 P 0.00 4.04 0.00 2.16 2.17 0.00 3.72 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 1.97 1.98 0.00 16 N 8.13 4.71 0.00 2.70 2.84 0.00 0.00 6.67 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 17 G 7.46 4.14 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 0.00 18 H 9.73 5.03 0.00 2.98 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.79 4.82 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 0.81 0.00 0.00 1.02 0.00 0.00 20 C 10.46 5.26 0.00 2.85 3.02 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 0.00 0.00 0.00 21 Y 8.06 6.20 0.00 3.15 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 22 T 8.78 5.18 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 1.31 0.00 0.00 23 K 9.18 5.34 0.00 2.17 2.00 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.36 7.81 24 T 9.71 5.72 4.25 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 1.33 0.00 0.00 25 W 7.92 5.41 0.00 3.44 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.00 5.26 0.00 2.89 3.02 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 0.00 0.00 0.00 27 D 8.24 4.99 0.00 2.86 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 28 A 8.43 4.14 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 F 7.85 4.56 0.00 3.33 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 30 C 8.51 4.08 0.00 3.03 3.10 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 0.00 0.00 0.00 31 S 8.07 4.10 0.00 3.90 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 32 I 7.83 3.98 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.94 0.00 0.00 33 R 9.08 4.27 0.00 1.83 1.84 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 34 G 7.46 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 0.00 0.00 0.00 0.00 35 K 7.61 4.16 0.00 1.66 1.59 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.54 7.81 36 R 8.30 3.99 0.00 0.67 0.66 0.00 3.01 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.00 37 V 7.76 4.93 2.17 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 0.66 0.00 0.00 1.09 0.00 0.00 38 D 9.55 5.03 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.99 0.00 1.57 1.45 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.60 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.48 5.44 0.00 2.98 2.91 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 42 A 8.94 4.78 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 4.23 1.28 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 44 T 7.64 4.72 4.25 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 1.24 0.00 0.00 45 C 8.89 4.28 0.00 2.98 3.08 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 46 P 0.00 4.43 0.00 1.91 1.71 0.00 3.77 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 1.77 1.21 0.00 47 T 8.16 4.05 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 1.17 0.00 0.00 48 V 8.09 4.25 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 0.75 0.00 0.00 0.92 0.00 0.00 49 K 8.06 4.41 0.00 1.75 1.65 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.34 7.81 50 T 8.19 4.00 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 1.21 0.00 0.00 51 G 9.10 3.97 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 0.00 0.00 0.00 52 V 7.35 4.72 2.06 0.00 0.00 0.00 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 0.82 0.00 0.00 53 D 9.81 5.09 0.00 2.76 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 54 I 8.43 5.19 1.88 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 1.19 0.99 0.91 0.00 0.00 55 Q 9.56 4.69 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 56 C 9.01 5.80 0.00 2.89 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 57 C 9.16 5.29 0.00 2.97 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 58 S 8.34 4.85 0.00 3.99 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 59 T 7.62 4.63 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 60 D 8.58 4.43 0.00 2.57 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 61 N 10.85 3.63 0.00 2.76 2.80 0.00 0.00 7.02 7.54 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 62 C 7.78 4.69 0.00 3.21 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 63 N 7.82 5.02 0.00 2.85 2.92 0.00 0.00 6.16 7.75 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 64 P 0.00 4.08 0.00 2.09 1.91 0.00 4.01 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 65 F 8.14 4.15 0.00 2.99 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 66 P 0.00 4.57 0.00 2.06 2.20 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 67 T 8.47 4.41 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 1.17 0.00 0.00 *68 R 9.86 4.05 0.00 1.81 2.21 0.00 3.21 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 0.00 *69 K 9.31 4.26 0.00 1.82 2.13 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 0.90 7.81 70 R 7.40 4.88 0.00 1.78 1.71 0.00 3.26 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 71 P 0.00 4.50 0.00 2.24 2.10 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.