NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 64 S 4.4560 8.3344 116.7968 58.3403 64.3153 172.8968 65 Y 4.1126 8.3152 123.2672 55.6634 39.4291 173.3840 66 Q 4.1879 6.4275 119.6390 55.2306 31.7267 173.8176 67 S 4.2277 8.5200 117.5104 57.2028 64.4844 173.5001 68 T 4.0981 7.9890 110.7145 60.7112 69.2750 173.7243 69 I 3.8230 8.2110 121.8803 62.0301 38.4383 174.9998 70 V 4.0278 8.8250 129.9383 61.9843 32.4470 173.1206 71 P 5.1926 0.0000 0.0000 61.9352 32.8571 175.7815 72 V 4.3980 8.7373 122.6652 61.3643 35.0198 173.3222 73 E 4.7325 8.9161 129.2380 54.8409 30.4101 175.0370 74 L 4.6420 8.2390 127.1283 54.4418 42.5199 176.7251 75 H 4.8532 9.6898 117.5859 55.4524 31.2312 173.3290 76 S 4.7285 7.6233 112.0321 56.0248 65.2761 175.7083 77 F 4.1570 8.6539 122.0594 61.2990 38.7889 176.6931 78 E 3.7128 7.7550 117.2750 59.0615 29.1043 178.3940 79 D 4.3910 7.8668 117.6412 55.6552 40.8086 177.9445 80 A 3.4664 7.1961 122.3672 55.0182 17.9392 179.1613 81 Q 3.9033 7.3169 117.6553 59.4382 28.9649 179.1458 82 V 3.5693 7.8575 119.5399 65.7703 31.4808 178.1782 83 I 3.8131 7.5898 119.2330 64.2959 37.0029 178.2601 84 G 4.0068 8.7379 107.0459 47.9088 0.0000 175.6588 85 G 3.7050 8.4043 108.3845 47.5399 0.0000 175.5961 86 A 4.0589 7.9032 123.4485 54.6080 18.4376 179.4645 87 F 4.7419 8.5479 120.7736 61.1050 39.2806 177.3188 88 R 3.8633 8.3750 117.5491 59.1188 29.8424 177.1400 89 D 4.7790 7.5264 116.3716 54.0845 40.9533 177.2009 90 G 3.8526 7.8733 107.7627 45.0695 0.0000 173.3346 91 D 4.9898 7.9658 119.3561 52.4656 43.3488 176.0085 92 A 4.8261 8.4352 122.9979 51.9539 20.4073 176.5469 93 V 5.0416 9.0457 119.6234 61.1115 35.6007 174.5088 94 V 4.9539 8.9856 127.1441 59.7972 34.2316 174.4842 95 F 5.5368 8.5100 119.2648 55.3013 41.7614 173.9910 96 D 5.8500 8.7815 120.8838 52.4946 43.6008 176.4451 *98 S 4.4255 8.5691 113.1895 58.3900 64.5071 174.8961 99 L 4.4954 7.8839 116.4847 54.4726 41.7753 176.1170 100 L 4.6044 7.4650 118.9182 53.1602 43.5121 176.8090 101 S 4.4883 8.5898 116.6468 57.6382 65.3259 175.4528 102 R 3.8425 8.3777 121.0964 59.4287 29.7722 177.7962 103 E 3.8391 8.0911 118.4902 59.4018 29.6629 178.3703 104 E 3.9216 8.1643 118.2570 59.4308 29.5820 179.1134 105 A 3.9805 8.1745 120.8115 55.3480 18.4246 179.6800 106 R 3.8004 7.9355 116.9714 59.6320 30.1108 179.0005 107 R 3.8529 7.9566 117.8984 59.0804 29.8563 179.0521 108 I 3.8171 8.1210 119.9254 64.5807 37.0915 178.7231 109 V 3.5792 7.7343 118.9432 66.0062 31.4156 177.8470 110 D 4.3479 8.3008 118.8609 57.0877 40.6230 178.5062 111 F 4.1225 8.6333 121.1706 61.3329 39.4733 177.1406 112 A 3.9332 8.5593 120.5069 55.0128 18.0525 179.4875 113 A 4.0806 8.3824 119.7908 55.0587 18.4071 180.1388 114 G 3.4217 7.8127 104.1743 47.7668 0.0000 176.0101 115 L 3.9262 7.5106 121.3974 57.7954 41.5654 179.4534 116 C 4.2279 8.0257 116.6474 62.7260 27.5082 175.9781 117 F 3.9209 8.5392 122.1903 61.2579 38.7909 177.0748 118 A 4.2059 8.0979 119.2735 54.1108 18.1367 178.0502 119 L 4.5852 7.4691 115.2511 54.3674 42.5535 176.0741 120 H 3.9446 7.4133 112.5311 56.8270 26.6917 174.8853 121 G 4.3083 8.6128 106.0165 45.6632 0.0000 172.5936 122 K 4.8561 8.8099 120.4154 54.7134 35.8787 174.5287 *124 Q 4.3266 8.4582 116.2433 55.9010 30.5570 174.4008 125 K 3.5483 8.2227 122.8578 54.6938 33.5587 175.9899 126 I 3.9059 8.2565 128.3443 63.2306 37.8433 175.1313 127 D 4.5320 7.1141 116.9225 52.2279 41.5471 175.1838 128 S 4.2356 8.7655 112.6368 61.3987 63.1097 175.1544 129 V 4.6051 8.1959 111.4695 60.9589 33.6875 175.1633 130 T 5.0344 8.1315 118.0234 61.9355 71.6596 173.1366 131 F 5.0353 8.4060 123.5146 55.4727 43.5792 173.8390 132 A 5.0584 8.8298 120.9027 50.5795 22.3676 176.0310 133 V 4.6379 8.9717 114.2822 59.4883 34.9088 174.9492 134 V 4.7967 8.9589 125.1767 60.3978 34.0907 173.4519 135 P 4.8166 0.0000 0.0000 62.1022 32.2435 175.7013 136 E 4.1567 8.5467 122.5371 55.8331 30.2971 176.4320 137 L 3.9376 8.5010 127.7543 55.3336 42.7427 176.8955 138 S 4.4640 8.4082 121.7274 57.3085 62.3620 173.4452 139 N 4.8029 8.3751 123.7883 52.0449 41.1763 174.2372 140 I 4.0597 8.4044 125.4452 61.4623 37.4778 175.5764 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 64 S 8.33 4.46 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.11 0.00 3.01 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 66 Q 6.43 4.19 0.00 2.23 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 67 S 8.52 4.23 0.00 4.02 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 68 T 7.99 4.10 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 69 I 8.21 3.82 1.89 0.00 0.00 0.89 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 0.93 0.93 0.00 0.00 70 V 8.82 4.03 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 1.01 0.00 0.00 0.98 0.00 0.00 71 P 0.00 5.19 0.00 2.01 1.98 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 72 V 8.74 4.40 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 1.02 0.00 0.00 1.00 0.00 0.00 73 E 8.92 4.73 0.00 2.01 1.87 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 2.25 2.22 0.00 74 L 8.24 4.64 0.00 1.67 1.52 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 H 9.69 4.85 0.00 3.11 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.62 4.73 0.00 3.97 3.94 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 0.00 0.00 0.00 77 F 8.65 4.16 0.00 3.07 3.08 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 78 E 7.76 3.71 0.00 2.07 1.87 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 2.30 2.34 0.00 79 D 7.87 4.39 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.20 3.47 -0.08 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 81 Q 7.32 3.90 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 82 V 7.86 3.57 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 0.98 0.00 0.00 0.88 0.00 0.00 83 I 7.59 3.81 1.88 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.29 0.81 0.00 0.00 84 G 8.74 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 85 G 8.40 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 86 A 7.90 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 4.74 0.00 3.22 3.21 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 88 R 8.37 3.86 0.00 2.01 2.17 0.00 3.33 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 89 D 7.53 4.78 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 90 G 7.87 3.85 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 0.00 91 D 7.97 4.99 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.44 4.83 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 93 V 9.05 5.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.21 0.00 0.00 94 V 8.99 4.95 2.07 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 0.84 0.00 0.00 0.90 0.00 0.00 95 F 8.51 5.54 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 5.85 0.00 2.84 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 *98 S 8.57 4.43 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.88 4.50 0.00 1.80 1.73 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.46 4.60 0.00 1.65 1.60 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.59 4.49 0.00 4.07 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 0.00 102 R 8.38 3.84 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 103 E 8.09 3.84 0.00 2.01 1.89 0.00 0.00 0.00 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 2.31 0.00 104 E 8.16 3.92 0.00 2.22 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 2.36 2.33 0.00 105 A 8.17 3.98 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 0.00 106 R 7.94 3.80 0.00 1.93 2.09 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 107 R 7.96 3.85 0.00 1.83 1.12 0.00 3.03 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.83 0.00 108 I 8.12 3.82 2.06 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.98 0.67 0.00 0.00 109 V 7.73 3.58 1.98 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 1.02 0.00 0.00 0.53 0.00 0.00 110 D 8.30 4.35 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 0.00 111 F 8.63 4.12 0.00 3.41 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.38 4.08 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 0.00 114 G 7.81 3.42 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 0.00 0.00 0.00 115 L 7.51 3.93 0.00 1.57 1.55 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.03 4.23 0.00 3.10 3.15 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 0.00 117 F 8.54 3.92 0.00 3.17 3.02 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 0.00 0.00 0.00 118 A 8.10 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.47 4.59 0.00 1.72 1.59 0.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.41 3.94 0.00 3.29 3.30 0.00 5.64 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 0.00 121 G 8.61 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 4.86 0.00 1.82 1.72 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 *124 Q 8.46 4.33 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 125 K 8.22 3.55 0.00 1.05 1.37 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.92 0.45 7.81 126 I 8.26 3.91 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.82 0.00 0.00 127 D 7.11 4.53 0.00 2.80 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 0.00 128 S 8.77 4.24 0.00 4.05 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 0.00 129 V 8.20 4.61 2.23 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 0.93 0.00 0.00 1.09 0.00 0.00 130 T 8.13 5.03 4.17 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 1.12 0.00 0.00 131 F 8.41 5.04 0.00 2.03 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 5.06 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.97 4.64 1.58 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 0.71 0.00 0.00 0.94 0.00 0.00 134 V 8.96 4.80 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 1.11 0.00 0.00 0.99 0.00 0.00 135 P 0.00 4.82 0.00 1.89 1.65 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 136 E 8.55 4.16 0.00 2.19 1.84 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 2.28 2.31 0.00 137 L 8.50 3.94 0.00 1.62 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.41 4.46 0.00 3.87 3.81 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 0.00 139 N 8.38 4.80 0.00 2.60 2.63 0.00 0.00 7.14 7.94 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 0.00 140 I 8.40 4.06 1.87 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 1.27 0.73 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.