NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2803 8.1727 120.1340 56.0276 34.2322 177.2710 76 E 3.6869 8.5366 121.5518 58.7886 29.3241 176.1499 77 N 4.1980 9.0452 117.8623 57.2030 39.3253 175.9281 78 E 4.0080 8.1262 119.0132 59.4249 29.5904 179.3820 79 I 3.7456 8.2669 120.3468 64.2582 37.1505 178.5033 80 L 3.9901 8.3902 120.2627 57.9578 41.5010 179.7876 81 R 3.9697 8.1371 117.9940 59.0725 29.8382 179.1595 82 R 3.8915 8.0470 118.6227 59.3875 29.9201 178.1061 83 E 3.9356 7.9434 117.7216 59.2860 29.6894 178.4099 84 L 4.2611 7.8702 117.7128 58.1370 41.8348 178.9749 85 D 4.5820 8.1452 117.3759 57.0035 41.3619 179.8948 86 R 4.0872 8.3383 121.9116 55.6794 29.9043 177.6726 *88 R 4.2092 7.8048 111.1640 55.2155 31.1683 175.4744 89 V 3.9757 7.0842 110.4799 59.9940 32.5244 174.4459 90 P 4.4915 0.0000 0.0000 61.8856 31.8505 174.5695 91 P 4.5536 0.0000 0.0000 62.4873 32.2867 175.4900 92 L 4.9345 8.0745 119.4401 53.0193 44.9887 176.0369 93 I 4.1212 8.5822 124.0452 60.8398 38.6892 175.0090 94 V 4.4960 8.3921 126.5006 61.9895 33.3265 174.8977 95 G 4.3530 9.2586 114.1590 44.9777 0.0000 170.7571 96 T 5.1696 8.3056 115.1060 61.2820 72.0043 174.3521 97 V 3.8925 8.9738 127.1229 63.3696 32.0806 176.4949 98 V 4.0386 8.7720 128.7916 64.6192 32.4638 175.6023 99 D 4.5380 7.4313 116.1655 52.7558 41.7463 175.8430 100 K 4.4409 8.8338 120.0061 56.3566 33.0863 176.8309 101 V 4.2644 8.6973 121.9827 63.6190 33.7220 175.2345 102 G 4.2210 7.5254 108.5921 44.6736 0.0000 172.1122 103 E 4.2012 8.9770 118.4229 59.0603 30.0370 177.4484 104 R 4.8614 7.7666 116.9926 55.8719 31.9661 175.1578 105 K 5.1368 8.2040 116.2873 54.9675 36.7893 175.9601 106 V 4.8884 8.6539 114.7678 59.9527 36.8904 174.1037 107 V 4.7383 8.6870 123.1999 61.7185 33.1498 175.1002 108 V 4.8735 9.1419 121.0644 59.4739 35.6737 174.9605 109 K 4.6074 8.9809 126.7685 54.8089 32.8703 175.6554 110 S 4.6622 8.8876 123.5370 58.3786 63.2124 175.2420 111 S 4.4006 8.4401 119.6859 60.3002 63.1526 175.2854 112 T 4.0094 7.7119 110.8760 62.1384 68.2933 174.1360 113 G 3.9898 7.1413 113.7715 45.7656 0.0000 173.7000 114 P 4.4942 0.0000 0.0000 61.6088 32.7178 174.8256 115 S 5.4190 7.9226 113.7731 56.9505 65.4616 173.9024 116 F 4.9053 9.3299 120.7234 55.7866 43.7961 173.3133 117 L 5.0576 8.6729 123.0010 53.9713 43.0779 175.8627 118 V 4.6886 9.0182 119.1714 59.4114 36.3668 174.7002 119 N 5.0379 8.5902 119.1075 53.0609 40.2141 174.6266 120 V 4.4881 8.7032 123.7119 61.6268 32.2854 176.0549 121 S 4.6200 8.7887 123.7464 58.0658 64.1351 175.0736 122 H 4.2923 8.8328 115.4387 57.6130 28.2772 176.4187 123 F 4.3643 7.4726 118.0681 58.8295 39.0642 175.4224 124 V 4.3478 7.6328 120.2908 60.6377 33.8623 174.3573 125 N 4.6432 8.5926 125.3803 51.7699 38.9160 173.5222 126 P 4.3810 0.0000 0.0000 66.0257 31.2319 178.1049 127 D 4.3666 8.2030 117.5966 56.6738 40.7042 176.7376 128 D 4.6303 8.4821 117.7329 54.6254 41.1698 176.0102 129 L 4.6930 7.6323 119.8879 53.1354 43.7056 175.6646 130 A 4.5634 7.9843 122.6683 50.1270 21.8797 174.0137 131 P 4.4783 0.0000 0.0000 64.3866 31.5385 176.5432 132 G 4.0772 9.1086 111.0365 45.1695 0.0000 174.0712 133 K 4.2368 8.2202 120.4334 56.3330 33.3779 176.6483 134 R 4.7860 8.5761 123.5788 55.9431 31.6720 175.9039 135 V 4.9433 9.0735 115.8463 59.8424 36.5209 173.9947 136 C 5.1131 8.9530 120.2226 58.3064 30.2418 173.0508 137 L 5.2224 8.9346 123.3064 52.4583 44.9444 175.5823 138 N 4.7043 8.8356 122.1004 53.6241 39.4489 176.1257 139 Q 3.9666 8.8471 123.4756 58.6510 29.2271 177.2456 140 Q 4.2429 8.6428 117.8850 57.3556 29.3148 176.4924 141 T 4.3371 7.8243 103.6020 60.2438 69.9949 174.0715 142 L 3.6371 8.2186 120.7342 55.6937 40.1184 174.3400 143 T 4.1034 7.3446 114.4033 62.1344 68.7559 173.4909 144 V 4.3160 8.6655 128.5891 63.2794 32.0211 176.4454 145 V 4.5588 8.4871 120.7141 61.4314 33.5092 174.7651 146 D 4.5303 7.5630 118.4948 53.5713 44.6840 173.8108 147 V 4.8098 8.3322 121.0812 61.0590 33.8047 174.7768 148 L 4.7251 8.5425 127.6608 52.5718 43.6479 175.0664 149 P 4.3994 0.0000 0.0000 63.1780 31.5487 176.1812 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 4.28 0.00 1.80 1.89 0.00 1.67 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 1.38 7.81 76 E 8.54 3.69 0.00 2.10 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 9.05 4.20 0.00 2.86 2.81 0.00 0.00 7.12 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 8.13 4.01 0.00 2.15 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 2.40 2.35 0.00 79 I 8.27 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 1.52 0.73 0.91 0.00 0.00 80 L 8.39 3.99 0.00 1.79 1.70 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.14 3.97 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 82 R 8.05 3.89 0.00 2.02 2.16 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 83 E 7.94 3.94 0.00 2.01 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 0.00 2.34 2.42 0.00 84 L 7.87 4.26 0.00 1.96 1.92 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.15 4.58 0.00 2.84 2.74 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 0.00 0.00 0.00 0.00 86 R 8.34 4.09 0.00 1.95 2.11 0.00 3.12 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 *88 R 7.80 4.21 0.00 1.68 1.84 0.00 2.31 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 1.23 1.40 0.00 89 V 7.08 3.98 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 0.71 0.00 0.00 0.99 0.00 0.00 90 P 0.00 4.49 0.00 2.01 1.96 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 1.99 2.03 0.00 91 P 0.00 4.55 0.00 2.16 2.03 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 1.96 1.97 0.00 92 L 8.07 4.93 0.00 1.47 1.54 0.94 0.93 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 93 I 8.58 4.12 1.83 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 0.79 0.89 0.00 0.00 94 V 8.39 4.50 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 1.01 0.00 0.00 0.92 0.00 0.00 95 G 9.26 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 96 T 8.31 5.17 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 1.22 0.00 0.00 97 V 8.97 3.89 2.28 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 0.87 0.00 0.00 1.00 0.00 0.00 98 V 8.77 4.04 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 0.97 0.00 0.00 99 D 7.43 4.54 0.00 2.70 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 0.00 100 K 8.83 4.44 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.43 7.81 101 V 8.70 4.26 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 0.00 102 G 7.53 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 0.00 0.00 0.00 0.00 103 E 8.98 4.20 0.00 1.97 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 2.31 2.27 0.00 104 R 7.77 4.86 0.00 1.71 1.85 0.00 3.06 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 105 K 8.20 5.14 0.00 1.66 1.65 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.45 7.81 106 V 8.65 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 0.66 0.00 0.00 0.96 0.00 0.00 107 V 8.69 4.74 2.26 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 1.02 0.00 0.00 0.95 0.00 0.00 108 V 9.14 4.87 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 0.71 0.00 0.00 1.07 0.00 0.00 109 K 8.98 4.61 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 110 S 8.89 4.66 0.00 4.12 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 0.00 111 S 8.44 4.40 0.00 4.01 3.99 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 0.00 112 T 7.71 4.01 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 7.14 3.99 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 0.00 0.00 0.00 114 P 0.00 4.49 0.00 1.73 2.09 0.00 3.78 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 2.46 2.11 0.00 115 S 7.92 5.42 0.00 3.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.33 4.91 0.00 2.91 2.90 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 0.00 0.00 0.00 117 L 8.67 5.06 0.00 1.66 1.62 0.98 0.90 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 0.00 118 V 9.02 4.69 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 0.82 0.00 0.00 1.01 0.00 0.00 119 N 8.59 5.04 0.00 2.66 2.73 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 8.70 4.49 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 0.78 0.00 0.00 0.93 0.00 0.00 121 S 8.79 4.62 0.00 4.03 4.09 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 0.00 0.00 0.00 122 H 8.83 4.29 0.00 3.16 3.34 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.47 4.36 0.00 3.07 3.09 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 0.00 0.00 0.00 124 V 7.63 4.35 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 1.00 0.00 0.00 125 N 8.59 4.64 0.00 2.77 2.97 0.00 0.00 6.91 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 4.38 0.00 2.26 2.38 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 127 D 8.20 4.37 0.00 2.86 2.78 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 0.00 128 D 8.48 4.63 0.00 2.77 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 7.63 4.69 0.00 1.73 1.58 0.94 1.01 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 0.00 130 A 7.98 4.56 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 4.48 0.00 2.19 2.28 0.00 3.74 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 1.99 1.98 0.00 132 G 9.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.22 4.24 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.72 7.81 134 R 8.58 4.79 0.00 1.77 1.84 0.00 3.07 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 9.07 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 0.00 136 C 8.95 5.11 0.00 2.80 2.80 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 0.00 137 L 8.93 5.22 0.00 1.46 1.49 0.89 0.72 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 0.00 138 N 8.84 4.70 0.00 2.79 2.67 0.00 0.00 6.87 7.11 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 0.00 139 Q 8.85 3.97 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 140 Q 8.64 4.24 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 141 T 7.82 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 8.22 3.64 0.00 1.61 1.62 -0.33 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.34 4.10 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 8.67 4.32 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 8.49 4.56 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 0.83 0.00 0.00 0.94 0.00 0.00 146 D 7.56 4.53 0.00 2.68 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.81 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 0.92 0.00 0.00 0.94 0.00 0.00 148 L 8.54 4.73 0.00 1.57 1.56 0.91 0.90 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 0.00 149 P 0.00 4.40 0.00 2.17 2.02 0.00 3.79 0.00 0.00 3.69 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 * Residues marked with a * may have inaccurate shift predictions.