NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2934 8.1727 120.1342 55.8747 33.2673 175.5550 76 E 3.7727 8.0760 122.8893 57.5788 29.8175 176.0952 77 N 4.3339 8.9595 118.1032 56.1611 37.6785 176.5182 78 E 3.9562 7.9901 120.3659 59.0903 29.8005 179.1508 79 I 3.7483 7.8636 119.8478 64.2880 37.1450 178.5381 80 L 3.9972 8.3368 120.1752 57.9331 41.4420 179.7536 81 R 3.9697 8.2499 118.2448 59.2731 30.1256 178.9585 82 R 3.9262 8.5075 118.8736 59.6810 29.7875 178.4655 83 E 4.0484 7.8427 116.8913 59.1274 29.4926 179.0359 84 L 4.2585 7.8395 118.3181 58.1433 41.6409 179.0398 85 D 4.5369 8.6066 119.1574 56.9109 40.7265 178.9807 86 R 4.3271 7.7003 120.3086 55.7884 29.8767 177.1374 *88 R 4.2100 7.7631 111.3468 55.3030 31.2258 175.3839 89 V 3.9527 7.0243 112.3473 60.0467 32.4289 174.5316 90 P 4.4849 0.0000 0.0000 61.8218 31.8619 174.4295 91 P 4.5058 0.0000 0.0000 62.6260 32.1594 175.5733 92 L 4.9291 8.0817 119.7703 52.9809 44.9885 176.1202 93 I 4.1167 8.5701 123.4867 60.9640 38.9141 175.0343 94 V 4.5055 8.3564 125.8928 62.0269 33.3195 174.9629 95 G 4.4678 9.2723 114.0830 45.1589 0.0000 170.7116 96 T 5.2140 8.2690 114.7460 61.3864 72.2201 174.2052 97 V 3.9323 8.8502 126.4566 63.1376 32.0484 176.7635 98 V 3.8344 8.8220 129.3745 64.5950 32.2260 176.0539 99 D 4.5119 7.4349 117.3918 52.7401 40.8779 175.6114 100 K 4.5067 8.6431 120.8038 56.4577 32.9635 176.9775 101 V 4.1761 8.5188 121.8015 63.9254 33.0627 175.4594 102 G 4.0705 7.4180 105.8970 44.6155 0.0000 171.2328 103 E 4.1666 8.8354 116.0105 58.1254 30.3376 177.2015 104 R 4.6735 7.9532 116.5563 55.6717 32.0800 175.2630 105 K 5.2870 7.8566 118.4475 54.8373 36.8189 175.4489 106 V 4.8181 8.7174 121.1998 60.5851 35.2726 173.1224 107 V 4.6653 8.5952 123.2019 62.2798 32.9756 175.1838 108 V 4.8832 9.1679 120.4206 59.6047 36.2894 174.8259 109 K 4.7568 8.9141 126.1027 54.4110 32.7686 174.8777 110 S 4.5084 8.5954 121.8205 58.5098 63.0745 175.3018 111 S 4.3504 8.8021 120.8246 60.3533 62.8456 175.3719 112 T 3.9810 7.6140 111.2290 62.8741 68.2798 173.0402 113 G 3.6814 7.3330 115.0097 45.0388 0.0000 172.8637 114 P 4.4173 0.0000 0.0000 61.7959 32.6050 175.1161 115 S 5.1533 8.0094 114.7597 57.1798 64.6564 173.8406 116 F 4.8916 9.2883 121.7911 55.6046 43.4628 173.4966 117 L 4.9940 8.6754 123.6146 54.1075 42.9155 175.8348 118 V 4.6792 9.0427 119.0477 59.4747 36.5030 174.3779 119 N 5.0488 8.5411 118.7475 52.7528 40.2821 174.5995 120 V 4.4680 8.4740 124.0333 61.8253 32.4196 176.1237 121 S 4.6204 8.8481 123.4416 57.9873 64.3809 174.7723 122 H 4.4210 8.6368 114.5654 57.0447 28.4363 176.2836 123 F 4.4685 7.3729 118.4872 58.8686 39.1374 175.4772 124 V 4.3279 7.2853 120.0453 60.6733 33.5117 174.4586 125 N 4.6534 8.5218 124.9087 51.8788 39.0426 173.4891 126 P 4.2876 0.0000 0.0000 65.9946 31.5397 178.2110 127 D 4.5149 8.0516 115.7551 56.3825 40.7229 176.8038 128 D 4.5182 8.2021 118.3202 54.8753 41.2703 176.1747 129 L 4.4265 7.7323 120.2253 53.2908 42.1963 175.8633 130 A 4.7782 8.1399 125.8100 48.9734 22.4036 173.0848 131 P 4.5335 0.0000 0.0000 64.6833 31.4446 176.9098 132 G 3.9825 9.3391 110.0813 45.1047 0.0000 173.8167 133 K 4.1557 8.0610 122.2776 56.5150 33.4656 176.0813 134 R 4.8533 8.5502 125.7546 55.9310 31.7579 175.8234 135 V 4.9421 8.9443 115.7165 59.9819 36.8667 173.8504 136 C 5.1105 9.0163 120.2286 58.2995 30.1908 173.0071 137 L 5.1926 8.9956 123.9650 52.4352 44.6915 175.6245 138 N 4.7067 8.9092 122.4220 53.7020 39.4928 176.0363 139 Q 4.0701 8.8796 123.1837 58.4233 29.2215 176.9898 140 Q 4.3153 8.5796 117.6074 56.9467 29.6834 176.4118 141 T 4.3098 7.8572 104.1880 60.3299 70.2071 174.3455 142 L 3.6775 8.0097 120.6097 55.6576 39.8950 174.2925 143 T 4.1056 7.3283 114.1904 62.0553 68.7689 173.5533 144 V 4.2120 8.6097 128.7251 63.3141 31.9897 176.4533 145 V 4.5076 8.4555 120.9322 61.5262 33.3439 174.9161 146 D 4.5103 7.5689 118.2773 53.6342 44.5365 173.9526 147 V 4.8231 8.4280 121.3677 61.0837 33.8543 174.5772 148 L 4.8663 8.5692 127.2689 52.2787 43.4908 174.9720 149 P 4.4578 0.0000 0.0000 62.4472 32.1447 176.1470 150 E 4.2116 8.3474 119.0620 56.0949 30.2493 177.1829 151 L 4.1824 8.3204 120.0893 55.2265 41.7521 177.1336 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 4.29 0.00 1.84 1.97 0.00 1.66 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 1.43 1.44 7.81 76 E 8.08 3.77 0.00 2.11 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 2.38 2.42 0.00 77 N 8.96 4.33 0.00 2.95 3.07 0.00 0.00 6.28 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 78 E 7.99 3.96 0.00 2.17 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 2.35 0.00 79 I 7.86 3.75 2.01 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 1.53 1.12 0.91 0.00 0.00 80 L 8.34 4.00 0.00 1.81 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.25 3.97 0.00 2.00 2.03 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 82 R 8.51 3.93 0.00 1.92 2.13 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 83 E 7.84 4.05 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 2.64 2.50 0.00 84 L 7.84 4.26 0.00 1.96 2.00 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.61 4.54 0.00 2.69 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 86 R 7.70 4.33 0.00 1.92 2.18 0.00 3.47 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 *88 R 7.76 4.21 0.00 1.75 1.94 0.00 2.40 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 89 V 7.02 3.95 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 0.73 0.00 0.00 0.98 0.00 0.00 90 P 0.00 4.48 0.00 2.01 1.97 0.00 3.64 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 2.04 0.00 91 P 0.00 4.51 0.00 2.16 2.03 0.00 3.69 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 1.97 1.97 0.00 92 L 8.08 4.93 0.00 1.48 1.67 0.94 0.89 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 93 I 8.57 4.12 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.90 0.00 0.00 94 V 8.36 4.51 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 0.97 0.00 0.00 0.93 0.00 0.00 95 G 9.27 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 5.21 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 8.85 3.93 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 0.97 0.00 0.00 0.99 0.00 0.00 98 V 8.82 3.83 2.21 0.00 0.00 0.00 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 0.95 0.00 0.00 99 D 7.43 4.51 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.51 0.00 1.78 1.94 0.00 2.08 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.43 7.81 101 V 8.52 4.18 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 0.77 0.00 0.00 0.94 0.00 0.00 102 G 7.42 4.07 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 0.00 103 E 8.84 4.17 0.00 2.09 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 0.00 2.27 2.27 0.00 104 R 7.95 4.67 0.00 1.75 1.94 0.00 3.06 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 105 K 7.86 5.29 0.00 1.66 1.65 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.41 7.81 106 V 8.72 4.82 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 0.73 0.00 0.00 0.99 0.00 0.00 107 V 8.60 4.67 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 1.10 0.00 0.00 0.95 0.00 0.00 108 V 9.17 4.88 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 0.70 0.00 0.00 1.07 0.00 0.00 109 K 8.91 4.76 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.52 7.81 110 S 8.60 4.51 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 0.00 111 S 8.80 4.35 0.00 4.05 4.07 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 0.00 112 T 7.61 3.98 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 7.33 3.68 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 0.00 0.00 0.00 114 P 0.00 4.42 0.00 1.80 2.09 0.00 3.79 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 2.43 2.10 0.00 115 S 8.01 5.15 0.00 3.68 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 0.00 116 F 9.29 4.89 0.00 2.94 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 8.68 4.99 0.00 1.66 1.63 0.95 0.90 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 0.00 118 V 9.04 4.68 2.16 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 0.71 0.00 0.00 1.03 0.00 0.00 119 N 8.54 5.05 0.00 2.65 2.72 0.00 0.00 6.40 7.68 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 0.00 120 V 8.47 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 121 S 8.85 4.62 0.00 3.92 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 8.64 4.42 0.00 3.15 3.31 0.00 5.52 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 0.00 123 F 7.37 4.47 0.00 3.07 3.03 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 0.00 124 V 7.29 4.33 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 0.78 0.00 0.00 1.00 0.00 0.00 125 N 8.52 4.65 0.00 2.77 2.99 0.00 0.00 7.14 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 4.29 0.00 2.22 2.29 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 127 D 8.05 4.51 0.00 2.70 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 0.00 128 D 8.20 4.52 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.43 0.00 1.77 1.63 0.93 0.54 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 0.00 130 A 8.14 4.78 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.53 0.00 2.19 2.26 0.00 3.78 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 2.00 1.99 0.00 132 G 9.34 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 0.00 133 K 8.06 4.16 0.00 2.17 1.69 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.47 7.81 134 R 8.55 4.85 0.00 1.81 1.83 0.00 3.12 0.00 0.00 3.34 7.19 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 8.94 4.94 2.16 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 0.74 0.00 0.00 0.98 0.00 0.00 136 C 9.02 5.11 0.00 2.83 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 9.00 5.19 0.00 1.48 1.50 0.89 0.45 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 0.00 138 N 8.91 4.71 0.00 2.77 2.67 0.00 0.00 6.81 7.00 0.00 0.00 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 8.88 4.07 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 140 Q 8.58 4.32 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 141 T 7.86 4.31 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 8.01 3.68 0.00 1.63 1.62 -0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.33 4.11 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 1.24 0.00 0.00 144 V 8.61 4.21 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 0.90 0.00 0.00 0.95 0.00 0.00 145 V 8.46 4.51 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 0.79 0.00 0.00 0.95 0.00 0.00 146 D 7.57 4.51 0.00 2.63 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 8.43 4.82 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 0.94 0.00 0.00 0.94 0.00 0.00 148 L 8.57 4.87 0.00 1.54 1.56 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.46 0.00 2.17 2.05 0.00 3.76 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 1.98 1.98 0.00 150 E 8.35 4.21 0.00 1.98 1.92 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 2.31 2.33 0.00 151 L 8.32 4.18 0.00 1.64 1.58 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.