NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.9169 8.2085 109.7203 44.4770 0.0000 175.5979 14 A 4.0230 7.5780 119.5732 54.9241 18.3593 177.9980 15 T 3.7636 8.4548 114.4644 66.6635 69.5519 174.7493 16 L 3.7991 7.5489 120.0851 57.6073 41.5514 179.1194 17 Q 4.3095 9.0573 122.8875 60.2196 28.8533 179.0076 18 D 4.5397 8.0641 119.9871 57.6202 40.0057 179.2997 19 S 4.7885 7.8214 112.5635 57.9015 63.2361 174.0391 20 I 4.0245 7.0966 123.9644 62.8706 37.1820 176.7188 21 G 3.9765 9.4488 113.7220 45.1856 0.0000 173.1289 22 K 4.6747 7.9306 119.1727 54.4024 35.5177 175.2944 23 Q 4.7092 8.4454 123.1669 56.1593 30.5645 175.0269 24 V 4.9441 9.0813 118.5074 59.5176 36.3519 174.0382 25 L 4.9704 9.1013 125.8594 53.8194 44.0148 175.3674 26 V 4.7065 8.8899 125.7054 61.0174 34.7697 174.1459 27 K 4.8919 7.8603 126.1766 54.5210 35.2433 175.1266 28 L 5.2000 8.4375 122.2704 52.3041 45.9359 176.1053 29 R 3.8610 8.3970 119.4070 57.4503 30.8787 176.2953 30 D 4.3658 8.8783 117.8227 55.8085 38.1453 174.2518 31 S 3.6716 8.0308 110.2026 60.1173 60.5281 172.0402 32 H 4.8983 7.7382 116.2886 54.1550 31.5233 175.0602 33 E 4.9688 8.6398 122.2159 54.5467 32.5806 174.3449 34 I 5.2021 8.9175 127.0123 59.6512 41.8426 174.6009 35 R 5.1143 8.8676 123.7365 54.7596 34.2864 174.6656 36 G 4.2296 8.4545 107.7828 45.7271 0.0000 172.1772 37 I 4.7264 8.4270 122.0043 60.1386 38.5515 175.5282 38 L 4.3451 9.0193 130.9916 55.4457 42.3137 177.1027 39 R 4.5920 8.9013 125.7559 57.6072 32.1553 176.4107 40 S 4.8760 7.8321 111.2071 57.5879 66.6056 172.8843 41 F 5.8348 8.0908 114.2394 57.1045 40.8120 172.1527 42 D 4.7001 8.6286 120.1764 52.0980 42.4034 176.7206 43 Q 4.1401 8.8394 118.7472 58.6382 28.2766 173.7051 *44 H 4.6554 8.8059 112.1072 54.2812 28.1958 180.8189 45 V 3.6177 8.0410 117.8889 64.8104 30.6950 171.6833 46 N 4.9000 8.1677 114.5138 52.9803 39.8202 174.0055 47 L 5.3014 9.0140 121.0174 52.9666 46.6664 175.0823 48 L 5.1080 8.7990 124.1922 53.3730 44.4814 175.1062 49 L 5.3314 9.0713 126.1437 53.0449 45.3241 175.3843 50 E 4.9193 9.0519 120.7717 54.6182 33.4989 175.3911 51 D 4.5314 8.7405 117.6008 55.3078 38.8882 174.2065 52 A 4.6871 8.3778 119.7157 52.0565 19.9852 177.4818 53 E 5.1494 9.6054 117.3996 54.8782 33.6291 174.0004 54 E 5.0414 9.2889 121.4904 55.0706 32.1805 175.1111 55 I 4.8437 8.6002 125.0586 59.9025 38.8075 175.4472 56 I 4.3985 8.9727 129.1581 60.3504 39.2620 175.8486 57 D 4.5076 9.9191 126.4055 55.3721 38.2904 175.1369 58 G 4.0060 8.5245 106.0140 45.5161 0.0000 173.7861 59 N 4.7795 8.2457 118.1128 51.7006 40.2003 173.8014 60 V 4.7172 7.9791 121.8333 61.8102 33.1407 174.4436 61 Y 4.6131 9.2068 128.1678 56.5584 40.5836 175.8043 62 K 4.5307 8.8084 128.4952 55.3098 32.0954 173.4375 63 R 4.4641 9.5558 122.6389 53.3034 33.0303 177.2144 64 G 4.0324 8.4258 106.2479 45.7515 0.0000 175.3882 65 T 4.6635 8.4225 121.1415 63.1493 69.1947 172.6297 66 M 4.7750 9.0468 125.2470 54.0953 35.9410 173.7377 67 V 4.8549 8.5139 119.0132 59.6208 34.1671 175.1426 68 V 4.3996 8.7134 125.1608 60.9165 33.9164 174.9799 69 R 4.5216 8.6099 127.2651 55.7518 30.8858 177.9846 70 G 4.0429 9.6108 114.5761 47.7297 0.0000 176.0095 71 E 3.9734 8.3126 115.3079 58.6407 29.7581 181.6292 72 N 4.7972 7.8370 113.1473 52.9253 39.1375 174.7630 73 V 3.9405 7.5048 119.8977 62.8612 32.2160 175.3208 74 L 4.5399 8.8124 128.5183 56.6329 42.4674 176.6685 75 F 5.0376 7.2198 111.3007 55.9379 41.4333 172.5082 76 I 5.3658 8.4490 119.4583 59.7425 41.0075 175.2634 77 S 4.7417 9.2871 121.1291 55.9044 66.2697 171.6483 78 P 4.7371 0.0000 0.0000 62.5592 31.8322 176.2165 79 V 3.7419 8.4067 124.4827 61.9510 32.0752 174.2040 80 P 4.4241 0.0000 0.0000 63.1760 31.1955 175.9986 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 13 G 8.21 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 0.00 0.00 0.00 14 A 7.58 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 3.76 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 1.15 0.00 0.00 16 L 7.55 3.80 0.00 0.32 0.13 0.34 0.58 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 17 Q 9.06 4.31 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 18 D 8.06 4.54 0.00 2.83 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 19 S 7.82 4.79 0.00 3.93 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 20 I 7.10 4.02 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.88 1.01 0.00 0.00 21 G 9.45 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.93 4.67 0.00 1.90 1.71 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.36 7.81 23 Q 8.45 4.71 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 24 V 9.08 4.94 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 0.76 0.00 0.00 0.98 0.00 0.00 25 L 9.10 4.97 0.00 1.79 1.78 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.89 4.71 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 0.97 0.00 0.00 0.91 0.00 0.00 27 K 7.86 4.89 0.00 0.86 1.38 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 0.90 7.81 28 L 8.44 5.20 0.00 1.54 1.59 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.40 3.86 0.00 1.69 1.89 0.00 3.43 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 30 D 8.88 4.37 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.03 3.67 0.00 3.91 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 32 H 7.74 4.90 0.00 3.00 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.64 4.97 0.00 1.99 1.93 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 2.27 2.29 0.00 34 I 8.92 5.20 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.97 0.00 0.00 35 R 8.87 5.11 0.00 1.70 1.78 0.00 3.18 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 36 G 8.45 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 0.00 0.00 0.00 0.00 37 I 8.43 4.73 1.96 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 1.24 0.93 0.96 0.00 0.00 38 L 9.02 4.35 0.00 1.78 1.74 1.06 0.96 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 39 R 8.90 4.59 0.00 1.74 1.96 0.00 3.40 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 40 S 7.83 4.88 0.00 3.77 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 41 F 8.09 5.83 0.00 3.07 3.05 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 42 D 8.63 4.70 0.00 2.82 2.71 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 43 Q 8.84 4.14 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.15 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *44 H 8.81 4.66 0.00 2.82 3.06 0.00 7.32 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.04 3.62 2.11 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 0.87 0.00 0.00 0.97 0.00 0.00 46 N 8.17 4.90 0.00 2.89 2.74 0.00 0.00 6.77 6.74 0.00 0.00 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 L 9.01 5.30 0.00 1.55 1.54 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.80 5.11 0.00 1.76 1.52 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.07 5.33 0.00 1.59 1.52 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.05 4.92 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 51 D 8.74 4.53 0.00 2.80 2.73 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 52 A 8.38 4.69 1.30 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 0.00 0.00 0.00 53 E 9.61 5.15 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 2.39 2.31 0.00 54 E 9.29 5.04 0.00 1.98 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 0.00 2.25 2.28 0.00 55 I 8.60 4.84 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.95 0.00 0.00 56 I 8.97 4.40 1.87 0.00 0.00 0.49 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 0.83 0.84 0.00 0.00 57 D 9.92 4.51 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.52 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.25 4.78 0.00 3.17 2.47 0.00 0.00 6.44 7.42 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 60 V 7.98 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 61 Y 9.21 4.61 0.00 2.92 2.86 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 62 K 8.81 4.53 0.00 1.54 1.59 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 63 R 9.56 4.46 0.00 1.72 1.97 0.00 3.34 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 64 G 8.43 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.66 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 1.21 0.00 0.00 66 M 9.05 4.77 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 67 V 8.51 4.85 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 68 V 8.71 4.40 2.08 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 1.04 0.00 0.00 0.92 0.00 0.00 69 R 8.61 4.52 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 70 G 9.61 4.04 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 0.00 0.00 0.00 71 E 8.31 3.97 0.00 2.00 1.91 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 2.24 1.92 0.00 72 N 7.84 4.80 0.00 2.80 2.83 0.00 0.00 6.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.50 3.94 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 0.72 0.00 0.00 0.96 0.00 0.00 74 L 8.81 4.54 0.00 1.47 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.22 5.04 0.00 3.02 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 76 I 8.45 5.37 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.96 0.00 0.00 77 S 9.29 4.74 0.00 3.83 3.94 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 78 P 0.00 4.74 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 79 V 8.41 3.74 2.10 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 0.77 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.42 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.