NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2511 8.1727 121.7890 56.3524 34.4272 177.3185 76 E 3.7079 8.2354 119.0845 58.5380 29.1828 177.0092 77 N 4.3075 8.2777 117.1902 56.6433 39.5506 175.9041 78 E 4.0364 8.4307 120.8606 58.9916 29.6089 178.8665 79 I 3.7571 7.5737 119.7866 64.2539 37.1735 178.1482 80 L 4.0036 8.0178 119.8995 57.8531 41.4629 179.7427 81 R 3.9542 8.0421 118.1061 59.1396 29.9197 179.1632 82 R 3.9088 8.0954 118.5607 59.4830 29.9170 178.3573 83 E 3.9889 8.1682 117.2946 59.3495 29.5044 179.1786 84 L 4.2569 8.0510 118.1537 58.1477 41.9890 178.9512 85 D 4.4785 8.2927 118.7460 57.0286 40.6024 179.6351 86 R 3.8817 7.9244 120.3844 55.7252 30.2226 177.2056 *88 R 4.1725 7.8565 111.5588 55.0571 31.2186 175.5604 89 V 3.8788 7.1277 110.8658 60.1697 32.3327 174.4630 90 P 4.3951 0.0000 0.0000 61.9912 31.8397 174.3320 91 P 4.5636 0.0000 0.0000 62.3791 32.3341 175.4440 92 L 4.9334 8.1362 119.9732 53.0383 44.9780 175.8622 93 I 4.2115 8.3824 123.3677 60.5483 39.0358 175.0806 94 V 4.4559 8.3607 126.4152 62.2348 33.2730 174.9274 95 G 4.4928 9.0839 113.6165 45.2368 0.0000 170.7466 96 T 5.2036 8.8228 115.8180 61.2728 72.1148 174.3323 97 V 3.9202 8.8682 127.0324 63.4990 32.1282 176.2747 98 V 3.9494 8.8213 129.2725 64.1975 32.2103 175.5128 99 D 4.5700 7.4488 116.4729 52.6062 41.8150 175.2401 100 K 4.5721 8.7744 120.0013 56.5099 32.9686 177.2089 101 V 4.3269 8.6828 119.4572 63.0039 34.3191 175.3611 102 G 4.3473 7.6218 108.6195 44.3844 0.0000 171.8365 103 E 4.0823 9.0429 119.9265 59.1851 30.4113 179.2009 104 R 4.8597 7.5995 116.0641 55.3858 30.5721 174.5536 105 K 5.1789 7.9522 117.2990 54.9554 37.1567 177.3889 106 V 4.8949 8.6234 114.7725 59.8945 36.7537 174.2052 107 V 4.6467 8.9824 124.0647 61.9538 33.0389 175.1773 108 V 4.9377 9.0064 121.0028 59.4035 35.8069 174.5696 109 K 4.6068 9.1302 126.6538 55.3446 33.3231 175.7060 110 S 4.8293 8.9818 123.7601 57.8167 63.2835 175.1848 111 S 4.3397 8.8245 121.1401 60.4352 62.8188 175.1761 112 T 4.0528 7.8393 110.9419 62.1416 68.4389 173.8295 113 G 3.8376 7.5262 114.5164 45.5266 0.0000 173.5395 114 P 4.4655 0.0000 0.0000 61.5885 32.6809 175.2263 115 S 5.3107 7.9348 114.1023 57.0158 65.0483 173.6860 116 F 4.8838 8.9837 120.9013 55.7852 43.7994 173.5747 117 L 5.0485 8.6899 122.7592 54.0271 42.8823 175.7442 118 V 4.6415 8.7914 119.6945 59.1678 35.9662 174.7290 119 N 4.9630 8.5986 120.4875 53.5887 40.4429 173.8315 120 V 4.5782 8.2831 125.9059 61.2016 32.6910 175.8409 121 S 4.3396 8.7802 123.4170 58.2241 64.4346 174.5637 122 H 4.6750 8.3557 115.8202 56.5626 28.2719 176.5734 123 F 4.5938 7.8224 118.7063 58.5089 39.2258 175.7778 124 V 4.3251 7.4554 119.9617 60.7365 33.4059 174.5462 125 N 4.6826 8.5248 125.2627 51.4960 38.7095 173.6396 126 P 4.2451 0.0000 0.0000 65.4561 31.4002 178.0629 127 D 4.3378 8.4880 118.6166 57.2638 41.1473 176.6083 128 D 4.5725 8.2829 116.5536 55.0595 40.9671 175.7973 129 L 4.5492 7.3515 120.0454 53.1694 43.0008 175.8371 130 A 4.6051 8.2695 124.3194 49.8839 21.9975 173.4500 131 P 4.5107 0.0000 0.0000 64.9062 31.3657 176.3612 132 G 4.0044 9.2056 110.2738 45.0770 0.0000 173.8148 133 K 4.1141 8.1349 122.4578 56.5520 33.3996 176.1783 134 R 4.8262 8.6193 126.3905 55.9081 31.7066 175.8490 135 V 4.9323 8.9788 116.0225 59.8452 36.7913 173.9351 136 C 5.0785 9.0651 119.7604 58.2369 30.3511 173.1118 137 L 5.2001 8.9441 124.0617 52.4292 44.2815 175.6033 138 N 4.6768 8.9202 122.8570 53.7010 39.3072 175.9354 139 Q 3.9462 8.9377 123.9697 58.8558 28.9585 177.4778 140 Q 4.2571 8.4419 117.1647 57.1559 29.3767 176.4327 141 T 4.3422 7.7817 103.7582 60.2650 70.0250 174.1734 142 L 3.6373 8.2967 120.9774 55.5803 39.9703 174.3415 143 T 4.0598 7.2977 114.3384 62.1962 68.7939 173.5405 144 V 4.2380 8.8913 128.8059 63.2424 31.9842 176.3972 145 V 4.5722 8.2770 120.9175 61.2732 33.0325 175.0428 146 D 4.5372 7.4688 118.5116 53.6103 44.5457 174.0596 147 V 4.7443 8.2937 121.3383 60.9297 34.2664 174.9135 148 L 4.5252 8.5820 127.6262 53.2158 42.4265 175.3642 149 P 4.3507 0.0000 0.0000 63.0177 31.7990 175.7420 150 E 4.4212 8.2563 119.1609 54.8763 30.8914 176.1126 151 L 4.2551 8.0712 120.2971 54.2027 42.3808 177.4661 152 E 4.1332 8.5996 117.0092 56.8753 29.3965 176.8895 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 75 K 8.17 4.25 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 76 E 8.24 3.71 0.00 2.15 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 0.00 2.38 2.43 0.00 77 N 8.28 4.31 0.00 2.80 2.80 0.00 0.00 6.88 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 78 E 8.43 4.04 0.00 2.07 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 0.00 2.31 2.35 0.00 79 I 7.57 3.76 2.04 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 1.64 0.55 0.92 0.00 0.00 80 L 8.02 4.00 0.00 1.85 1.72 0.92 0.84 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 81 R 8.04 3.95 0.00 2.04 2.02 0.00 3.46 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 82 R 8.10 3.91 0.00 1.99 2.15 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 83 E 8.17 3.99 0.00 2.15 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 2.36 2.51 0.00 84 L 8.05 4.26 0.00 1.91 2.05 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.29 4.48 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.88 0.00 1.89 2.18 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 *88 R 7.86 4.17 0.00 1.68 1.75 0.00 2.29 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 89 V 7.13 3.88 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 0.69 0.00 0.00 0.95 0.00 0.00 90 P 0.00 4.40 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 91 P 0.00 4.56 0.00 2.16 2.02 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 92 L 8.14 4.93 0.00 1.48 1.55 0.92 0.92 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 93 I 8.38 4.21 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 0.89 0.00 0.00 94 V 8.36 4.46 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 0.96 0.00 0.00 0.92 0.00 0.00 95 G 9.08 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.82 5.20 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 97 V 8.87 3.92 2.25 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 0.82 0.00 0.00 0.99 0.00 0.00 98 V 8.82 3.95 2.20 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 0.84 0.00 0.00 0.95 0.00 0.00 99 D 7.45 4.57 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.77 4.57 0.00 1.78 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.43 7.81 101 V 8.68 4.33 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 0.79 0.00 0.00 0.96 0.00 0.00 102 G 7.62 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 0.00 0.00 0.00 0.00 103 E 9.04 4.08 0.00 1.94 1.99 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 2.30 2.34 0.00 104 R 7.60 4.86 0.00 1.73 1.79 0.00 3.27 0.00 0.00 3.42 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 K 7.95 5.18 0.00 1.75 1.65 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 106 V 8.62 4.89 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 0.71 0.00 0.00 1.00 0.00 0.00 107 V 8.98 4.65 2.27 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 1.03 0.00 0.00 0.95 0.00 0.00 108 V 9.01 4.94 2.13 0.00 0.00 0.00 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 1.02 0.00 0.00 109 K 9.13 4.61 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 110 S 8.98 4.83 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.82 4.34 0.00 4.05 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 0.00 112 T 7.84 4.05 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 1.22 0.00 0.00 113 G 7.53 3.84 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 0.00 0.00 0.00 114 P 0.00 4.47 0.00 1.72 2.07 0.00 3.81 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 2.37 2.06 0.00 115 S 7.93 5.31 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.98 4.88 0.00 2.93 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 0.00 117 L 8.69 5.05 0.00 1.66 1.63 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.79 4.64 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 0.78 0.00 0.00 1.03 0.00 0.00 119 N 8.60 4.96 0.00 2.84 2.66 0.00 0.00 6.42 7.71 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 0.00 120 V 8.28 4.58 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 0.86 0.00 0.00 0.97 0.00 0.00 121 S 8.78 4.34 0.00 3.90 4.06 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 0.00 0.00 0.00 0.00 122 H 8.36 4.68 0.00 2.95 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.82 4.59 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 124 V 7.46 4.33 2.29 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 0.79 0.00 0.00 1.01 0.00 0.00 125 N 8.52 4.68 0.00 2.78 2.89 0.00 0.00 6.89 7.71 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 0.00 126 P 0.00 4.25 0.00 2.26 2.34 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 127 D 8.49 4.34 0.00 2.68 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 0.00 128 D 8.28 4.57 0.00 2.87 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 0.00 129 L 7.35 4.55 0.00 1.75 1.61 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.27 4.61 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 0.00 131 P 0.00 4.51 0.00 2.19 2.31 0.00 3.77 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 2.00 2.00 0.00 132 G 9.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.13 4.11 0.00 2.00 1.74 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.48 7.81 134 R 8.62 4.83 0.00 1.81 1.83 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 135 V 8.98 4.93 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 0.74 0.00 0.00 1.00 0.00 0.00 136 C 9.07 5.08 0.00 2.79 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 0.00 137 L 8.94 5.20 0.00 1.46 1.49 0.87 0.47 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 0.00 138 N 8.92 4.68 0.00 2.77 2.68 0.00 0.00 6.73 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 0.00 139 Q 8.94 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 140 Q 8.44 4.26 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 141 T 7.78 4.34 4.22 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 1.20 0.00 0.00 142 L 8.30 3.64 0.00 1.59 1.60 -0.47 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.30 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 1.23 0.00 0.00 144 V 8.89 4.24 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 0.90 0.00 0.00 0.95 0.00 0.00 145 V 8.28 4.57 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 0.81 0.00 0.00 0.98 0.00 0.00 146 D 7.47 4.54 0.00 2.71 2.42 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 0.00 147 V 8.29 4.74 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 0.91 0.00 0.00 0.95 0.00 0.00 148 L 8.58 4.53 0.00 1.68 1.57 0.92 0.91 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 0.00 149 P 0.00 4.35 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 150 E 8.26 4.42 0.00 1.98 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 2.32 0.00 151 L 8.07 4.26 0.00 1.63 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.60 4.13 0.00 2.07 1.94 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 2.28 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.