NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2701 8.2601 123.5894 51.9561 19.9077 176.5287 41 A 4.3273 8.3855 124.2880 50.1300 19.6066 174.8461 42 P 4.4802 0.0000 0.0000 62.3295 32.8602 174.9812 43 E 4.2615 8.4613 119.4056 56.2956 29.9378 177.0882 44 S 4.8320 8.3755 116.0170 58.7967 64.3279 172.8046 45 F 5.0519 8.5953 114.0360 56.2258 41.5141 173.0504 46 D 5.1832 8.6984 119.4693 53.5476 43.7191 173.8668 47 E 4.8059 9.3526 123.0654 55.4390 33.8012 173.9764 48 V 4.6582 8.3469 120.6207 61.8175 32.7801 174.3575 49 Y 4.6424 9.2853 129.5275 56.5837 40.6349 175.4663 50 K 3.6882 9.3004 127.7825 57.4769 29.6536 176.2936 51 G 3.9843 8.4647 104.8056 45.4697 0.0000 173.9799 52 R 4.6835 7.8042 118.3668 53.9608 33.6523 174.3671 53 R 4.8366 9.0664 122.2612 55.8480 31.4568 175.0060 54 I 5.1936 9.0533 120.5442 59.3304 40.4969 174.5841 55 Q 4.8202 9.1250 123.7456 54.0379 32.9481 174.5703 56 G 4.0300 7.7841 108.8564 44.5577 0.0000 171.5296 57 R 4.7983 7.7075 117.6057 53.6386 33.0521 172.9566 58 P 4.5282 0.0000 0.0000 62.9479 31.4424 174.6380 59 A 4.2278 8.0751 122.2213 53.8978 20.7534 177.8600 *71 G 4.0846 7.6121 97.7413 45.2512 0.0000 170.3548 72 Y 5.2804 8.1613 119.5334 55.7676 42.1084 173.8202 73 E 4.7304 8.7547 125.2960 54.4484 33.3118 175.0973 74 V 4.8275 7.8948 121.8280 61.1071 35.4528 173.9967 75 F 5.2889 9.4722 125.1710 55.6338 43.1100 174.1092 76 V 4.6961 9.0131 123.0434 61.2772 33.5573 175.4134 77 D 4.5585 10.1493 130.8719 55.5575 38.8665 175.1076 78 G 3.8872 8.4466 103.8370 45.5870 0.0000 173.4729 79 V 4.3585 7.6899 120.5294 60.5449 32.8651 174.8813 80 Q 4.0072 8.8088 128.7702 55.9178 29.5321 174.4256 81 L 4.7221 8.4753 127.8626 53.2354 43.8618 175.3971 82 H 3.7791 8.6410 126.8938 56.3778 30.6961 174.3219 83 V 5.0659 7.9801 117.5983 60.0106 35.9116 174.4147 84 M 4.7476 8.9344 120.6743 54.2313 35.9697 173.3514 85 R 3.6370 7.9089 125.2002 54.5836 31.6653 175.3347 86 N 4.6431 8.6389 123.4725 51.7040 40.2516 176.0092 87 A 3.9770 8.6288 123.9182 55.4399 18.4111 178.4368 88 D 4.5108 7.8740 112.2319 53.6008 39.7300 177.2360 89 G 3.8532 8.3791 109.9034 45.1367 0.0000 174.0446 90 S 4.7100 8.1274 114.9060 57.8791 64.9362 173.0451 91 W 5.4544 9.4404 119.4532 54.9269 33.2813 174.6726 92 I 5.2154 8.7882 114.9381 59.4767 41.4930 173.5239 93 S 5.2299 8.3269 116.1587 56.1362 66.3941 175.2258 94 V 3.6837 8.6178 118.9839 63.9500 31.1305 177.3836 95 V 4.2051 7.6381 112.6316 61.3914 32.2209 176.5780 96 S 4.7156 7.7912 114.0382 57.6213 62.7420 173.6018 97 H 4.1851 8.0985 122.1063 58.9231 30.3658 175.0002 98 Y 4.6031 7.8510 114.4013 57.6473 37.8615 175.5816 99 D 4.7659 7.5310 120.0609 51.3532 41.2695 172.4258 100 P 4.6238 0.0000 0.0000 62.0256 32.5766 176.3363 101 V 4.6201 8.5158 114.9569 58.6420 35.1711 175.2430 102 P 4.6633 0.0000 0.0000 65.3437 31.7699 176.8583 103 T 4.5946 7.3979 108.3854 58.2969 73.0211 172.7001 104 P 3.6484 0.0000 0.0000 65.6636 31.0587 178.6270 105 R 2.8569 7.2956 117.8065 58.7780 29.7749 178.1839 106 A 3.8455 7.8884 120.5072 54.9004 18.3079 179.5173 107 A 3.8988 7.8634 119.2723 55.0462 18.4171 179.7315 108 A 3.9803 8.1793 119.7289 55.4171 18.4313 180.0492 109 R 3.3333 8.1358 116.7587 59.1834 30.0217 179.1352 110 A 3.9832 8.2486 120.5958 55.0952 18.2945 179.6022 111 A 3.9967 8.1128 119.3827 55.2266 18.2477 179.9968 112 V 3.6404 8.1005 116.8759 66.2953 31.4124 177.9135 113 D 4.5308 8.3278 117.8102 57.5046 40.7624 178.1886 114 E 4.1218 8.0617 118.6592 59.2888 29.9511 178.6146 115 L 4.1104 8.3623 118.8796 55.3613 41.9068 177.0530 116 Q 3.4829 8.8085 115.5276 56.8479 26.7427 174.8673 117 G 3.9491 8.4097 104.9874 45.2076 0.0000 174.1661 118 A 4.1396 7.6336 123.1818 51.0959 18.9000 175.7706 119 P 4.3538 0.0000 0.0000 62.5437 32.0416 176.1917 120 L 4.2553 8.3283 123.7616 54.7618 42.8621 175.9888 121 L 4.5756 8.1868 124.5240 52.4787 43.0686 174.9194 122 P 4.2256 0.0000 0.0000 63.1144 31.8228 176.3504 123 F 4.4717 8.5584 116.3442 57.1297 38.0654 175.2913 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 40 A 8.26 4.27 1.31 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 41 A 8.39 4.33 1.49 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 42 P 0.00 4.48 0.00 1.60 1.83 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.19 0.00 43 E 8.46 4.26 0.00 2.03 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 2.36 2.28 0.00 44 S 8.38 4.83 0.00 3.90 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 45 F 8.60 5.05 0.00 3.10 3.11 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 0.00 0.00 0.00 0.00 46 D 8.70 5.18 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.35 4.81 0.00 2.14 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 2.37 2.40 0.00 48 V 8.35 4.66 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 0.80 0.00 0.00 0.97 0.00 0.00 49 Y 9.29 4.64 0.00 3.21 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 50 K 9.30 3.69 0.00 1.47 1.63 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.95 0.21 7.81 51 G 8.46 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 52 R 7.80 4.68 0.00 1.93 1.86 0.00 3.15 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 53 R 9.07 4.84 0.00 1.93 1.84 0.00 3.04 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 54 I 9.05 5.19 2.16 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 1.06 0.00 0.00 55 Q 9.12 4.82 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 56 G 7.78 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 0.00 0.00 0.00 57 R 7.71 4.80 0.00 1.65 1.78 0.00 2.69 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 58 P 0.00 4.53 0.00 2.24 2.21 0.00 3.61 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 1.95 1.99 0.00 59 A 8.08 4.23 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 *71 G 7.61 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 72 Y 8.16 5.28 0.00 3.15 2.94 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 73 E 8.75 4.73 0.00 1.79 1.52 0.00 0.00 0.00 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 2.17 0.00 74 V 7.89 4.83 2.06 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 0.93 0.00 0.00 1.10 0.00 0.00 75 F 9.47 5.29 0.00 2.90 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 76 V 9.01 4.70 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 1.06 0.00 0.00 1.02 0.00 0.00 77 D 10.15 4.56 0.00 2.81 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 78 G 8.45 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 0.00 0.00 0.00 79 V 7.69 4.36 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 1.09 0.00 0.00 1.04 0.00 0.00 80 Q 8.81 4.01 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.43 1.67 0.00 81 L 8.48 4.72 0.00 1.63 1.64 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.64 3.78 0.00 2.36 2.88 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.98 5.07 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 0.84 0.00 0.00 1.08 0.00 0.00 84 M 8.93 4.75 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 85 R 7.91 3.64 0.00 0.67 1.09 0.00 3.01 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 86 N 8.64 4.64 0.00 2.61 2.57 0.00 0.00 6.63 7.34 0.00 0.00 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 A 8.63 3.98 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 88 D 7.87 4.51 0.00 2.76 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 89 G 8.38 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 90 S 8.13 4.71 0.00 4.05 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 91 W 9.44 5.45 0.00 3.27 3.12 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 92 I 8.79 5.22 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.88 0.00 0.00 93 S 8.33 5.23 0.00 4.03 4.02 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 94 V 8.62 3.68 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 0.71 0.00 0.00 0.87 0.00 0.00 95 V 7.64 4.21 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 0.71 0.00 0.00 0.97 0.00 0.00 96 S 7.79 4.72 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 4.19 0.00 2.90 2.60 0.00 5.96 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.85 4.60 0.00 3.01 2.95 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 0.00 0.00 0.00 99 D 7.53 4.77 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.07 1.93 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 101 V 8.52 4.62 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 0.75 0.00 0.00 0.99 0.00 0.00 102 P 0.00 4.66 0.00 2.17 2.19 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 103 T 7.40 4.59 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 1.13 0.00 0.00 104 P 0.00 3.65 0.00 1.89 0.82 0.00 3.08 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 105 R 7.30 2.86 0.00 0.67 1.35 0.00 2.88 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.00 106 A 7.89 3.85 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.86 3.90 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 0.00 108 A 8.18 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.14 3.33 0.00 1.56 1.14 0.00 2.73 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 110 A 8.25 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 0.00 111 A 8.11 4.00 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 0.00 112 V 8.10 3.64 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 1.21 0.00 0.00 1.14 0.00 0.00 113 D 8.33 4.53 0.00 2.94 2.79 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 0.00 114 E 8.06 4.12 0.00 2.19 2.19 0.00 0.00 0.00 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 2.74 0.00 115 L 8.36 4.11 0.00 1.92 1.89 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.81 3.48 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 117 G 8.41 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.63 4.14 1.31 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 0.00 119 P 0.00 4.35 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 120 L 8.33 4.26 0.00 1.64 1.62 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.19 4.58 0.00 1.71 1.60 0.94 1.06 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 0.00 122 P 0.00 4.23 0.00 1.98 1.92 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 123 F 8.56 4.47 0.00 3.10 3.01 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 * Residues marked with a * may have inaccurate shift predictions.