NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3050 8.1076 123.5792 51.7681 20.2788 175.8508 3 T 4.5699 7.3536 107.9412 61.7760 71.6210 172.0791 4 G 3.9269 9.7011 109.8232 45.8729 0.0000 176.8403 5 G 3.5520 7.8334 107.1561 47.9037 0.0000 175.9270 6 L 3.9382 8.3001 121.6755 57.0394 41.4713 179.4209 7 A 4.0514 7.9721 120.5879 55.1812 18.2507 179.5123 8 I 3.6530 7.7581 110.5558 64.2486 37.6033 178.2417 9 I 3.8491 7.3970 120.1770 64.0841 37.0388 177.8437 10 Q 4.0974 8.0675 119.3455 58.8691 29.8203 177.4163 11 S 4.2021 8.0232 117.6110 58.3547 63.1013 175.1480 *14 H 4.4651 7.7477 115.3536 55.6044 30.0216 174.1203 *16 L 4.1087 7.3782 117.6977 53.7099 43.3504 176.5761 17 P 4.4609 0.0000 0.0000 61.6060 33.3378 175.8275 18 P 4.2444 0.0000 0.0000 66.2502 31.4142 179.1102 19 S 4.1658 8.0164 112.1341 61.5199 62.9025 176.0914 20 E 4.0923 8.1105 121.6948 58.7672 29.2132 179.0224 21 R 3.8931 8.1506 119.1751 59.3480 30.2340 178.5518 22 K 3.9429 8.1114 118.2593 59.5668 32.0713 179.2883 23 L 4.0113 7.5943 117.8091 57.8503 41.5188 179.4427 24 A 4.0707 8.2062 120.7380 55.2468 18.2675 179.4281 25 D 4.2804 8.4979 117.8377 57.6610 40.8312 178.4352 26 Y 3.8947 8.0758 119.9677 60.5861 38.6040 177.8629 27 I 3.8043 7.8211 119.7651 64.4985 37.3343 178.1530 28 L 4.0699 7.9775 118.5721 57.6474 41.4568 179.1427 29 A 4.0400 7.6130 120.0892 54.0110 19.6928 177.5318 30 H 4.8027 7.8439 112.7869 53.7345 29.5326 171.7789 31 P 4.3960 0.0000 0.0000 66.0353 31.9378 179.7773 32 H 4.1535 8.0729 113.2439 56.1948 28.2167 176.7836 *34 A 4.5966 8.1539 125.0067 52.3192 20.0685 179.7132 35 I 3.8904 7.6939 107.1775 62.4649 37.8390 176.3251 36 E 4.7267 7.5670 119.6627 56.1153 29.7967 175.7434 37 S 5.0578 7.7289 114.1096 57.5240 66.0575 174.9585 38 T 4.4228 8.9496 114.7453 60.9622 70.9176 176.0743 39 V 3.0164 8.3092 120.3448 66.3062 31.5011 177.7305 40 N 4.5841 7.9157 116.7793 55.7288 38.3157 177.2031 41 E 3.8775 8.2127 119.9520 59.4896 29.6419 179.2738 42 I 3.5442 7.8116 118.9697 63.8315 37.9501 178.0718 43 S 3.9931 8.0838 115.1833 61.1789 62.8209 176.3706 44 A 3.8873 7.7655 124.0978 54.9300 17.9297 179.6178 45 L 3.6836 7.7833 116.3072 57.2221 41.6280 178.6728 46 A 4.2875 7.5478 117.6970 50.7090 20.1204 176.2623 47 N 4.0461 7.7433 115.5686 54.8502 38.1589 172.1157 48 S 4.6239 8.3697 114.0447 56.6075 65.1560 172.6066 49 S 4.7954 8.1667 111.8938 56.0616 67.1524 174.3101 50 D 4.2381 8.4922 121.4722 57.5251 40.4469 178.9624 51 A 3.9537 7.9372 120.5325 55.0756 18.4021 179.3996 52 A 4.2288 7.9728 120.7270 54.5149 18.3739 180.1074 53 V 3.4388 7.5187 116.7963 66.1354 31.3720 178.3383 54 I 3.6906 7.2787 117.7072 64.4734 37.0517 178.1251 55 R 4.0627 7.9687 117.8154 59.2699 30.1374 178.3251 56 L 4.1729 8.3118 120.2754 58.4612 42.0042 179.4219 57 C 4.4206 7.8963 112.4681 60.9762 27.4917 175.5779 *59 S 4.3876 7.9628 118.7822 58.5526 64.2083 174.7937 60 L 4.2425 7.7932 116.8834 54.5468 41.6177 177.3083 61 G 3.8692 8.1366 106.3850 46.0905 0.0000 173.5205 62 L 4.7315 7.6184 118.5149 52.8081 43.2280 177.3597 63 K 4.1470 9.1835 120.4964 57.1308 32.7044 177.9556 64 G 3.9512 7.3647 104.8370 45.4922 0.0000 172.1951 65 F 4.4316 8.5374 120.8600 61.2199 39.7855 177.3063 66 Q 3.9886 8.2963 118.6515 58.9963 28.7709 177.3116 67 D 4.3665 8.1630 115.6994 57.2333 41.7752 176.7152 68 L 4.1576 7.4734 121.9698 55.4307 39.9330 176.9121 *71 R 4.3150 7.7998 120.9098 55.9599 32.9078 178.6226 72 V 3.3562 8.0470 117.0311 65.8944 31.4968 177.7215 73 A 4.0081 8.0254 120.1851 55.3249 17.8653 179.5931 74 G 3.7757 7.8047 103.8088 47.5374 0.0000 175.1850 75 D 4.4377 7.7387 120.7256 57.0606 40.5280 178.8848 76 L 4.0955 7.8184 118.2039 57.4117 41.6048 179.0753 77 A 4.1161 7.8585 120.3064 53.8040 18.8202 178.1940 78 K 4.2729 7.6017 117.3547 55.2348 33.0714 176.3185 79 P 4.2382 0.0000 0.0000 66.2316 31.2193 178.3961 80 T 3.6775 7.9923 114.3726 65.8828 68.2742 174.2276 81 F 4.8676 8.2341 116.1002 56.8356 40.5688 175.0470 82 Q 4.3611 8.0199 120.7087 55.4455 29.6160 176.2197 83 G 3.5962 8.9210 108.9375 45.3967 0.0000 173.6311 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 A 8.11 4.30 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 3 T 7.35 4.57 4.39 0.00 0.00 0.00 0.00 0.00 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 4 G 9.70 3.93 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 5 G 7.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.30 3.94 0.00 1.16 1.54 0.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.97 4.05 1.38 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 0.00 0.00 8 I 7.76 3.65 1.87 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 1.70 0.63 0.99 0.00 0.00 9 I 7.40 3.85 1.86 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 1.42 0.68 0.92 0.00 0.00 10 Q 8.07 4.10 0.00 2.04 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.52 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 11 S 8.02 4.20 0.00 4.07 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 *14 H 7.75 4.47 0.00 3.20 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 L 7.38 4.11 0.00 1.66 1.65 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.46 0.00 2.34 1.97 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 P 0.00 4.24 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 19 S 8.02 4.17 0.00 4.03 4.11 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 20 E 8.11 4.09 0.00 2.22 2.04 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 2.40 2.56 0.00 21 R 8.15 3.89 0.00 2.02 2.03 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 22 K 8.11 3.94 0.00 1.86 2.06 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 23 L 7.59 4.01 0.00 2.00 1.75 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.21 4.07 1.37 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 0.00 0.00 25 D 8.50 4.28 0.00 2.95 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 26 Y 8.08 3.89 0.00 3.22 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 27 I 7.82 3.80 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.96 0.94 0.00 0.00 28 L 7.98 4.07 0.00 1.62 1.71 0.94 1.03 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 29 A 7.61 4.04 1.07 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 0.00 0.00 30 H 7.84 4.80 0.00 2.53 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.40 0.00 2.06 2.28 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 32 H 8.07 4.15 0.00 3.31 3.39 0.00 5.84 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 *34 A 8.15 4.60 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 35 I 7.69 3.89 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.67 0.84 0.00 0.00 36 E 7.57 4.73 0.00 2.13 2.05 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 2.48 2.28 0.00 37 S 7.73 5.06 0.00 4.18 3.88 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 38 T 8.95 4.42 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 1.25 0.00 0.00 39 V 8.31 3.02 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 0.92 0.00 0.00 0.76 0.00 0.00 40 N 7.92 4.58 0.00 2.77 2.81 0.00 0.00 7.63 7.66 0.00 0.00 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 8.21 3.88 0.00 2.17 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 2.31 2.30 0.00 42 I 7.81 3.54 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.20 0.44 0.00 0.00 43 S 8.08 3.99 0.00 4.00 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 44 A 7.77 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 3.68 0.00 1.15 0.28 0.75 0.81 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 46 A 7.55 4.29 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 47 N 7.74 4.05 0.00 2.78 2.79 0.00 0.00 6.79 7.51 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 48 S 8.37 4.62 0.00 3.74 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.17 4.80 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.49 4.24 0.00 2.66 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 51 A 7.94 3.95 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 52 A 7.97 4.23 1.38 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 0.00 0.00 53 V 7.52 3.44 2.04 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 0.55 0.00 0.00 0.77 0.00 0.00 54 I 7.28 3.69 1.97 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 1.63 0.91 0.92 0.00 0.00 55 R 7.97 4.06 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 56 L 8.31 4.17 0.00 1.79 1.90 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.90 4.42 0.00 3.24 2.98 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 *59 S 7.96 4.39 0.00 4.08 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 60 L 7.79 4.24 0.00 1.74 1.71 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.62 4.73 0.00 1.80 1.69 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.18 4.15 0.00 1.73 1.87 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.53 7.81 64 G 7.36 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 65 F 8.54 4.43 0.00 2.91 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 66 Q 8.30 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 67 D 8.16 4.37 0.00 2.60 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.47 4.16 0.00 1.78 1.57 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *71 R 7.80 4.31 0.00 1.99 2.12 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 72 V 8.05 3.36 1.95 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 0.88 0.00 0.00 0.86 0.00 0.00 73 A 8.03 4.01 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 74 G 7.80 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 75 D 7.74 4.44 0.00 2.45 1.54 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 76 L 7.82 4.10 0.00 1.70 1.73 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.86 4.12 1.38 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 0.00 0.00 78 K 7.60 4.27 0.00 2.26 1.83 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 79 P 0.00 4.24 0.00 2.20 2.33 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 80 T 7.99 3.68 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 0.48 0.00 0.00 81 F 8.23 4.87 0.00 3.18 2.96 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 82 Q 8.02 4.36 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 83 G 8.92 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.