NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 P 4.3985 0.0000 0.0000 62.4765 32.7099 174.9197 52 G 3.6420 8.2280 106.0951 44.3431 0.0000 172.4233 53 D 4.8496 8.4614 123.5666 51.9143 42.9411 174.8243 54 L 4.0482 8.4409 116.7681 58.1665 41.9491 179.5103 55 R 3.9746 8.3569 118.0504 58.9747 30.3717 178.0824 56 H 4.0715 7.8857 117.6412 59.1700 29.6375 175.4057 57 D 4.6913 7.7095 115.2614 54.1045 41.3033 176.1807 58 L 4.6952 7.2314 120.1244 53.1750 43.3830 176.8504 59 N 4.7383 9.0829 121.3071 51.9878 40.0822 176.1522 60 Q 3.9841 8.4546 120.0216 59.4122 29.0286 177.9314 61 Q 4.0254 8.0234 118.6686 58.8537 28.8047 178.4058 62 E 3.9871 8.0882 119.0473 59.6673 29.6857 179.5421 63 R 3.9997 8.1686 117.8184 59.0485 30.0086 179.0069 64 A 4.0855 8.0779 122.0150 54.8773 18.3667 179.6701 65 T 3.8148 8.0482 114.2297 67.0148 68.5479 176.8602 66 L 4.3026 8.1031 121.0204 57.7051 41.5518 179.6905 67 S 4.1322 8.2523 114.4995 61.4522 62.8580 176.5780 68 S 4.0773 8.3072 116.9234 60.9153 62.0132 175.7555 69 N 3.4877 7.9696 119.3445 56.0113 38.2203 177.5464 70 V 3.2053 7.3876 119.4086 65.7024 31.3900 177.7556 71 Q 3.8126 7.6835 118.1427 59.2758 29.0016 178.0116 72 R 3.9610 7.7351 118.5271 59.4012 30.3065 178.0565 73 F 4.6619 8.0066 118.0557 60.4607 38.8847 177.3084 74 F 3.7762 8.1683 116.6571 59.4088 38.8261 176.0361 *76 I 4.0202 7.5503 108.3240 60.0616 38.8561 176.0411 77 G 3.8014 7.9446 107.3102 46.1778 0.0000 173.3560 78 H 4.6987 8.2547 116.7078 55.0676 30.4367 176.4340 79 G 3.7086 8.5017 109.5809 44.7365 0.0000 172.0787 80 S 4.5190 8.2728 112.9177 56.4825 65.5838 173.4944 81 L 5.1315 8.8555 129.9646 53.9630 42.9958 175.0330 82 T 4.9191 9.1436 116.3996 59.7557 72.5616 172.5576 83 A 5.2642 8.4747 122.1145 50.4197 22.4040 174.6731 84 D 4.9320 8.7992 119.0536 51.9079 44.6070 175.3372 85 A 4.2234 8.8999 121.8523 55.1763 19.9625 179.3014 86 G 3.9489 8.5183 95.6284 48.4589 0.0000 174.0125 87 G 4.0127 8.7264 116.8831 45.2219 0.0000 175.6545 88 L 5.2158 8.6407 123.0166 53.3262 43.7992 174.6139 89 T 4.6968 9.0634 117.7505 62.1297 72.3697 172.1509 90 Y 5.3403 8.9149 127.6487 56.1316 40.8101 174.4969 91 T 4.6633 8.1344 121.0045 60.1911 70.8437 172.7959 92 V 4.6753 8.1459 126.0630 60.4696 34.4048 173.9855 93 S 5.1291 8.3149 118.6081 56.8778 65.7469 173.2037 94 W 4.5303 8.2186 117.9771 56.1506 29.9311 173.6454 95 V 3.9727 8.4188 119.5609 60.4007 31.7682 174.0172 96 P 4.8084 0.0000 0.0000 61.7478 32.5279 176.2492 97 T 4.0421 8.4122 108.7001 61.7553 70.0798 174.3755 98 K 3.7677 8.7293 122.9930 60.2262 30.8582 178.4809 99 Q 3.7938 8.1627 118.8258 59.2393 28.8875 178.1753 100 I 4.1536 7.6013 119.8588 63.7501 37.6190 177.7047 101 Q 3.9135 8.3233 120.7549 59.3309 28.6358 178.5439 102 R 3.9478 8.5948 118.7622 59.1854 30.0980 178.8307 103 K 4.1550 7.2455 117.6242 58.9573 32.4011 179.0283 104 V 3.9872 7.7046 109.3947 61.5614 31.9466 176.1093 105 A 4.2986 7.7902 126.9579 52.1055 19.0655 176.0983 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 51 P 0.00 4.40 0.00 2.13 2.07 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 52 G 8.23 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 0.00 0.00 0.00 53 D 8.46 4.85 0.00 2.92 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 54 L 8.44 4.05 0.00 1.72 1.75 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.36 3.97 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 56 H 7.89 4.07 0.00 3.29 3.42 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.71 4.69 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 4.70 0.00 1.59 1.59 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.08 4.74 0.00 2.93 2.97 0.00 0.00 6.56 7.03 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 60 Q 8.45 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 61 Q 8.02 4.03 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 62 E 8.09 3.99 0.00 2.18 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 2.42 2.41 0.00 63 R 8.17 4.00 0.00 1.89 2.01 0.00 3.40 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 64 A 8.08 4.09 1.39 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 0.00 0.00 0.00 65 T 8.05 3.81 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 1.27 0.00 0.00 66 L 8.10 4.30 0.00 2.02 2.10 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.25 4.13 0.00 4.05 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 0.00 68 S 8.31 4.08 0.00 3.85 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 69 N 7.97 3.49 0.00 2.53 1.54 0.00 0.00 6.63 7.23 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 70 V 7.39 3.21 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 1.11 0.00 0.00 0.72 0.00 0.00 71 Q 7.68 3.81 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 72 R 7.74 3.96 0.00 1.69 1.58 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 73 F 8.01 4.66 0.00 3.17 2.99 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 0.00 0.00 0.00 74 F 8.17 3.78 0.00 2.95 3.01 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 *76 I 7.55 4.02 1.80 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 0.46 0.95 0.00 0.00 77 G 7.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.70 0.00 3.03 3.05 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.50 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 80 S 8.27 4.52 0.00 3.80 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.86 5.13 0.00 1.79 1.59 1.19 1.06 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 82 T 9.14 4.92 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 83 A 8.47 5.26 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 84 D 8.80 4.93 0.00 2.58 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 85 A 8.90 4.22 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 86 G 8.52 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 87 G 8.73 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 88 L 8.64 5.22 0.00 1.59 1.69 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.06 4.70 4.29 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 1.25 0.00 0.00 90 Y 8.91 5.34 0.00 3.10 3.01 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 91 T 8.13 4.66 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 1.11 0.00 0.00 92 V 8.15 4.68 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 0.81 0.00 0.00 0.92 0.00 0.00 93 S 8.31 5.13 0.00 3.88 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 94 W 8.22 4.53 0.00 3.26 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.42 3.97 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 0.85 0.00 0.00 0.91 0.00 0.00 96 P 0.00 4.81 0.00 2.24 1.92 0.00 3.66 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 97 T 8.41 4.04 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 1.27 0.00 0.00 98 K 8.73 3.77 0.00 1.90 1.89 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.59 7.81 99 Q 8.16 3.79 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 100 I 7.60 4.15 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.89 0.00 0.00 101 Q 8.32 3.91 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 102 R 8.59 3.95 0.00 1.82 1.98 0.00 3.21 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 K 7.25 4.15 0.00 2.03 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 V 7.70 3.99 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 0.68 0.00 0.00 0.83 0.00 0.00 105 A 7.79 4.30 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 * Residues marked with a * may have inaccurate shift predictions.