NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 E 4.3137 8.4449 118.7974 56.3264 30.9509 174.7382 67 M 4.5059 8.2311 120.1529 52.2971 33.6291 175.5478 68 S 4.4681 9.9934 119.9368 57.1160 66.3097 173.3115 69 P 4.2486 0.0000 0.0000 66.3428 31.1332 178.9868 70 Q 4.1691 8.0841 115.8397 58.7242 28.5895 178.4721 71 E 4.0454 7.8699 118.9908 59.2415 29.5175 179.2282 72 L 4.0780 8.3387 120.2411 58.7089 40.4510 179.2510 73 Q 4.1766 8.0881 120.4857 59.1424 29.1376 177.8867 74 L 3.8345 8.0430 121.0201 58.1585 42.0567 178.2503 75 H 4.0936 8.6088 118.5406 59.5202 29.6077 176.4868 76 Y 4.0915 8.3164 120.1817 60.6484 38.5707 177.6257 77 F 3.8565 8.5734 121.3929 61.2985 39.6246 177.2447 78 K 3.9218 8.6839 118.3835 59.7854 31.6373 179.3395 79 M 3.9663 8.2098 118.0725 57.5128 31.8479 177.3962 80 H 3.6879 6.8945 113.4374 54.3595 30.7455 175.3127 81 D 4.3489 6.7459 123.0526 52.7876 39.3998 176.2059 82 Y 4.2208 7.5448 119.9272 60.1656 38.4086 177.0441 83 D 4.5386 8.3535 116.5747 52.8114 40.1402 176.8777 84 G 3.8659 7.8843 108.0265 46.6181 0.0000 173.8628 85 N 4.5856 8.1601 114.4871 52.0244 37.2972 174.7148 86 N 4.5136 8.4544 114.2151 54.4977 36.8115 173.7439 87 L 5.3628 7.9462 115.1665 53.1878 46.0686 175.8652 88 L 4.8695 9.1339 122.0983 53.2337 44.1380 175.7760 89 D 5.3808 8.1852 122.6649 50.4773 42.5023 177.4028 90 G 3.5641 8.5109 104.1111 47.8342 0.0000 175.8209 91 L 4.0324 7.8763 120.0296 57.6713 41.9658 178.8156 92 E 4.2533 8.6660 118.5996 59.5484 29.4315 179.4346 93 L 4.0256 8.2001 119.3821 57.7328 41.4089 179.7492 94 S 4.2171 7.8964 113.1931 61.2074 63.0456 175.5962 95 T 4.0732 7.7304 109.5849 63.2393 68.9445 174.9075 96 A 4.3404 7.7195 124.5170 51.6833 18.8999 176.2992 97 I 4.6273 7.7446 118.7423 62.4197 40.6008 175.2787 98 T 3.5251 8.2252 119.1227 63.4098 64.9110 172.8521 *112 M 4.2592 8.2555 126.6930 55.7810 32.2864 175.8865 113 S 4.4697 8.1176 114.7315 57.9672 65.5906 175.0880 114 E 4.0030 8.5942 121.8218 59.6394 29.2121 179.4010 115 D 4.3654 8.0297 118.6200 57.2028 40.9773 178.2386 116 E 3.9180 8.1469 119.7385 59.0147 29.5952 178.3178 117 L 3.9448 7.9555 120.4200 58.4234 42.0619 178.9194 118 I 3.6757 8.0733 119.7975 64.5554 37.1559 177.9178 119 N 4.2976 8.1692 117.0262 56.5273 38.4296 177.4970 120 I 3.7022 7.7982 120.7428 64.4777 37.1888 178.6483 121 I 3.7308 7.9637 120.6972 64.5616 36.8815 178.0624 122 D 4.4735 8.5729 120.3024 57.4432 40.6391 179.3422 123 G 3.5814 8.0362 105.8206 47.7797 0.0000 175.9139 124 V 3.6270 7.8251 121.0035 65.6464 31.4841 178.1214 125 L 3.9873 8.1430 118.8392 57.7311 41.2472 179.3080 126 R 3.8735 8.0047 117.7453 59.7998 30.0843 177.9630 127 D 4.5091 8.0600 117.0343 56.4507 40.6978 177.5553 128 D 4.9070 8.3582 118.8570 54.7671 42.6917 175.5234 129 D 4.7640 8.2303 120.6394 52.9953 39.6503 176.4178 130 K 3.9945 8.7928 125.3121 58.4173 32.3623 178.0038 131 N 4.7089 8.1901 112.9877 51.5476 37.7667 173.9420 132 N 4.2464 7.6935 116.1746 55.3256 37.7376 173.9499 133 D 4.7244 8.7451 113.4299 52.8702 40.6009 177.1797 134 G 3.7677 9.2833 109.8138 45.3760 0.0000 172.4807 135 Y 5.3310 7.9737 116.4713 55.9085 41.4359 175.1118 136 I 5.0590 8.9047 115.7921 59.3027 40.9831 175.1184 137 D 5.1264 9.2486 125.6237 52.5487 41.6687 176.7631 138 Y 3.1708 8.4120 117.9849 60.4574 38.5214 177.4789 139 A 3.7875 7.9873 121.1036 55.3452 18.2465 179.3452 140 E 3.8931 8.3488 115.6982 59.4091 29.6039 179.0593 141 F 4.5504 8.4908 120.9517 60.7293 39.6676 176.6391 142 A 3.7306 8.0719 118.2558 52.0395 18.3888 177.4151 143 K 4.0079 7.4539 121.5381 56.8684 32.9408 174.9428 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 66 E 8.44 4.31 0.00 2.10 2.03 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 2.18 2.35 0.00 67 M 8.23 4.51 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 68 S 9.99 4.47 0.00 4.02 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 69 P 0.00 4.25 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 70 Q 8.08 4.17 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 71 E 7.87 4.05 0.00 2.34 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 2.34 2.33 0.00 72 L 8.34 4.08 0.00 1.99 1.99 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.09 4.18 0.00 2.49 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 74 L 8.04 3.83 0.00 1.65 1.72 -0.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.61 4.09 0.00 3.41 3.61 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.32 4.09 0.00 3.18 3.35 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 77 F 8.57 3.86 0.00 3.25 3.17 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 0.00 0.00 0.00 0.00 78 K 8.68 3.92 0.00 1.79 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.63 7.81 79 M 8.21 3.97 0.00 1.64 1.86 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 80 H 6.89 3.69 0.00 2.47 2.80 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 6.75 4.35 0.00 2.34 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 82 Y 7.54 4.22 0.00 3.04 2.92 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 83 D 8.35 4.54 0.00 2.78 2.82 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 84 G 7.88 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 85 N 8.16 4.59 0.00 2.74 2.86 0.00 0.00 6.88 7.70 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 86 N 8.45 4.51 0.00 2.96 3.05 0.00 0.00 6.65 7.15 0.00 0.00 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 L 7.95 5.36 0.00 1.68 1.69 0.61 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 L 9.13 4.87 0.00 1.52 1.44 0.45 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.19 5.38 0.00 2.55 2.64 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 90 G 8.51 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.03 0.00 1.81 1.76 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.67 4.25 0.00 2.09 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 2.46 2.52 0.00 93 L 8.20 4.03 0.00 1.86 1.77 0.98 1.17 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 94 S 7.90 4.22 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.07 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 1.30 0.00 0.00 96 A 7.72 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.74 4.63 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.95 0.00 0.00 98 T 8.23 3.53 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 1.24 0.00 0.00 *112 M 8.26 4.26 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 113 S 8.12 4.47 0.00 4.07 4.04 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 0.00 0.00 0.00 114 E 8.59 4.00 0.00 2.03 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 2.40 0.00 115 D 8.03 4.37 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 0.00 116 E 8.15 3.92 0.00 2.07 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 2.31 2.32 0.00 117 L 7.96 3.94 0.00 2.01 1.88 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.07 3.68 2.02 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 0.55 0.94 0.00 0.00 119 N 8.17 4.30 0.00 2.97 2.88 0.00 0.00 7.10 6.53 0.00 0.00 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 I 7.80 3.70 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.94 0.00 0.00 121 I 7.96 3.73 1.88 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 1.55 0.70 0.92 0.00 0.00 122 D 8.57 4.47 0.00 2.86 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 0.00 123 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.63 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 1.26 0.00 0.00 1.02 0.00 0.00 125 L 8.14 3.99 0.00 1.87 1.70 0.89 0.77 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 0.00 126 R 8.00 3.87 0.00 2.00 2.11 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 D 8.06 4.51 0.00 2.70 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 0.00 128 D 8.36 4.91 0.00 2.82 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 0.00 129 D 8.23 4.76 0.00 2.78 2.77 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 0.00 130 K 8.79 3.99 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.53 7.81 131 N 8.19 4.71 0.00 2.85 2.93 0.00 0.00 6.05 8.04 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 0.00 132 N 7.69 4.25 0.00 2.77 2.88 0.00 0.00 6.98 8.33 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 0.00 133 D 8.75 4.72 0.00 2.95 2.82 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 0.00 134 G 9.28 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 0.00 0.00 0.00 135 Y 7.97 5.33 0.00 3.03 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 0.00 136 I 8.90 5.06 2.06 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 1.01 0.00 0.00 137 D 9.25 5.13 0.00 2.90 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 0.00 138 Y 8.41 3.17 0.00 2.05 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 0.00 139 A 7.99 3.79 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 0.00 140 E 8.35 3.89 0.00 2.21 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 0.00 2.39 2.44 0.00 141 F 8.49 4.55 0.00 3.27 3.24 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 0.00 142 A 8.07 3.73 0.73 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 0.00 0.00 143 K 7.45 4.01 0.00 1.78 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.