NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8484 8.3501 109.7340 44.7313 0.0000 173.6279 3 A 4.0530 7.9310 122.2391 50.9771 19.1748 175.4783 4 Q 4.4391 9.3129 124.2626 54.2347 31.8009 172.6421 5 V 4.5722 8.3127 126.4840 61.3544 33.2361 174.6441 6 S 4.8759 8.3281 123.2812 56.5413 67.3153 173.1122 7 S 5.2870 8.5140 115.8105 57.5779 64.3675 173.9668 8 Q 4.2696 9.0892 122.0953 55.4575 29.7417 176.5605 9 K 4.1288 8.4958 124.0098 55.0386 31.1148 175.8528 10 V 3.6705 8.1333 125.8664 62.2416 31.9839 174.8002 11 G 3.4182 8.4154 118.6122 46.9541 0.0000 173.2165 12 A 4.3088 8.2057 121.3285 51.1862 20.4240 177.2503 13 H 4.9415 8.4269 119.2172 53.8568 31.1863 174.8598 14 E 3.8887 8.7901 124.3818 59.0322 29.7449 176.9589 *23 S 4.2271 7.5998 110.3364 57.9572 64.0930 172.5673 24 T 4.1795 8.2199 115.4644 61.6008 67.8935 173.6613 25 I 4.3138 8.2946 129.5789 60.7147 38.7285 174.7907 26 N 5.6840 8.8125 123.5569 51.7810 41.7156 173.2609 27 Y 4.9875 8.9904 117.5806 55.8589 41.8823 174.1396 28 T 4.9647 8.5868 116.7689 62.2987 71.3227 174.0399 29 T 4.6687 8.8072 121.1255 61.8951 72.7423 172.8820 30 I 4.6552 8.0962 126.1206 59.3199 40.1353 174.9347 31 N 4.2616 8.6075 124.8524 53.1010 39.0503 174.7567 32 Y 4.5124 8.0902 119.8517 58.5054 38.8457 174.9682 33 Y 4.9328 7.5802 116.2300 55.6737 41.3692 175.7112 34 R 4.0149 8.7688 122.0965 58.9138 30.6802 176.4877 35 D 4.7510 8.0547 118.9404 52.7081 41.6818 177.2194 36 S 4.1294 8.8769 119.4949 61.1347 63.0704 176.4418 37 A 4.0304 8.0425 122.9673 55.1716 18.1963 178.7572 38 S 4.1440 8.1517 111.4959 60.9878 63.1048 174.9299 39 N 4.4364 7.6880 117.3544 52.7649 38.7065 174.6589 40 A 4.1931 8.3139 124.0018 51.7491 18.6270 176.8050 41 A 4.3643 8.2987 122.6158 51.4392 19.2608 179.2442 42 S 4.2246 8.7663 117.9546 59.3734 63.3554 175.1566 43 K 4.1132 7.2383 113.7970 56.4245 30.2387 176.6056 44 Q 4.2477 7.7760 120.1505 54.4200 27.1218 174.6534 45 D 4.8270 7.4402 120.4575 52.3927 43.7121 176.0116 46 F 4.6191 8.4078 119.5880 56.2826 40.9588 175.6283 47 S 4.9077 8.4955 118.4950 57.1666 65.0143 173.2984 48 Q 4.6334 8.0413 118.5066 54.3357 31.5555 174.0586 49 D 4.5560 8.4339 118.3747 53.3961 42.0092 174.6649 50 P 4.5835 0.0000 0.0000 65.1405 32.2293 178.9516 51 S 4.1805 8.4238 115.9897 61.8747 62.7695 176.9280 52 K 3.8615 7.7529 117.7928 58.9718 32.4355 177.4828 53 F 4.7794 7.9793 117.8810 59.0259 40.3739 177.1083 54 T 4.2553 7.9039 110.0039 63.2371 70.0490 174.4929 55 E 4.8821 8.3204 121.1813 54.8227 29.8345 175.0076 56 P 4.6924 0.0000 0.0000 63.0958 31.5604 176.9455 57 I 4.1487 7.4889 112.2327 60.4285 38.7139 176.0020 58 K 3.9483 8.6685 123.3961 59.2562 32.2482 176.8049 59 D 4.6569 7.9009 119.2631 52.9370 41.1530 176.0623 60 V 3.3261 8.0516 123.1782 62.3265 32.0106 174.9890 61 L 4.2670 8.4308 127.8662 54.8136 41.5886 176.1546 62 I 4.2282 8.1294 124.8503 59.2000 37.0239 176.4358 63 K 3.9881 8.6584 126.3131 59.5415 32.3835 178.2827 64 T 4.0588 7.8266 108.1390 63.0989 69.4001 174.8240 65 A 4.3273 7.7265 125.1646 50.1409 19.4185 175.2248 66 P 4.2172 0.0000 0.0000 63.4119 31.3450 176.4537 67 M 4.1139 8.8195 122.6275 57.2936 32.4932 175.8854 68 L 4.7582 7.7464 117.9916 52.7242 44.1556 175.6843 69 N 4.5138 8.5369 120.9027 53.8759 39.1403 173.6449 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 8.35 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.93 4.05 1.23 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 0.00 0.00 0.00 4 Q 9.31 4.44 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 5 V 8.31 4.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 6 S 8.33 4.88 0.00 3.29 3.64 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 7 S 8.51 5.29 0.00 3.92 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 8 Q 9.09 4.27 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 9 K 8.50 4.13 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 10 V 8.13 3.67 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 0.67 0.00 0.00 0.93 0.00 0.00 11 G 8.42 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.31 1.22 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 0.00 0.00 13 H 8.43 4.94 0.00 3.11 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.79 3.89 0.00 1.93 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 2.30 2.30 0.00 *23 S 7.60 4.23 0.00 4.05 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 24 T 8.22 4.18 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 1.27 0.00 0.00 25 I 8.29 4.31 2.01 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 1.37 0.43 1.00 0.00 0.00 26 N 8.81 5.68 0.00 2.59 2.79 0.00 0.00 6.82 7.46 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 27 Y 8.99 4.99 0.00 2.94 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 28 T 8.59 4.96 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 1.18 0.00 0.00 29 T 8.81 4.67 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 1.18 0.00 0.00 30 I 8.10 4.66 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.86 0.00 0.00 31 N 8.61 4.26 0.00 2.64 2.72 0.00 0.00 7.09 7.46 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 32 Y 8.09 4.51 0.00 2.50 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 33 Y 7.58 4.93 0.00 2.93 2.85 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 0.00 0.00 0.00 34 R 8.77 4.01 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.05 4.75 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.13 0.00 4.01 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 37 A 8.04 4.03 1.29 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 38 S 8.15 4.14 0.00 3.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.69 4.44 0.00 2.81 2.77 0.00 0.00 6.95 7.38 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 40 A 8.31 4.19 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 41 A 8.30 4.36 1.27 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 0.00 0.00 0.00 42 S 8.77 4.22 0.00 4.03 4.05 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 0.00 0.00 0.00 0.00 43 K 7.24 4.11 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.46 7.81 44 Q 7.78 4.25 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 45 D 7.44 4.83 0.00 2.60 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 46 F 8.41 4.62 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.50 4.91 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.63 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 49 D 8.43 4.56 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.58 0.00 2.34 2.40 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 51 S 8.42 4.18 0.00 3.91 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 52 K 7.75 3.86 0.00 1.46 1.64 0.00 0.89 0.00 0.00 1.24 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.64 0.21 7.81 53 F 7.98 4.78 0.00 3.14 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 54 T 7.90 4.26 4.28 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 1.29 0.00 0.00 55 E 8.32 4.88 0.00 1.96 1.88 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 2.21 2.21 0.00 56 P 0.00 4.69 0.00 2.17 2.24 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 57 I 7.49 4.15 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 1.18 0.72 0.91 0.00 0.00 58 K 8.67 3.95 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.90 4.66 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.33 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 0.80 0.00 0.00 0.92 0.00 0.00 61 L 8.43 4.27 0.00 1.77 1.66 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.13 4.23 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 1.47 0.69 0.91 0.00 0.00 63 K 8.66 3.99 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 T 7.83 4.06 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 65 A 7.73 4.33 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 66 P 0.00 4.22 0.00 2.35 2.11 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 67 M 8.82 4.11 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 68 L 7.75 4.76 0.00 1.63 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.54 4.51 0.00 2.61 2.60 0.00 0.00 7.04 7.56 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 * Residues marked with a * may have inaccurate shift predictions.