NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.1178 8.0549 120.3136 61.8607 32.0904 175.5634 85 T 4.5249 7.6785 128.1868 62.6457 70.6417 172.0893 86 L 4.9215 8.2524 123.9491 54.2825 45.5453 177.4222 87 F 5.6756 9.1624 119.0148 55.1463 43.5844 174.2135 88 V 4.6599 8.4316 121.4787 61.2679 34.6049 174.1586 89 A 5.7009 8.0418 126.7056 50.6292 19.3194 178.4589 *100 L 3.9536 8.6257 122.1438 54.5259 43.6301 176.3034 101 Y 5.0107 7.0837 114.3175 56.2273 41.9684 174.3467 102 D 4.7438 8.7738 121.5516 53.9238 41.1866 174.5807 103 Y 4.9421 8.0415 118.5321 56.5693 42.7353 173.1429 104 E 4.0886 7.8349 123.6567 53.3562 30.4319 174.0181 105 A 3.6133 7.4072 126.4750 52.8940 18.9687 178.1084 106 R 3.7647 8.8779 122.5242 57.7601 30.6136 175.1862 107 T 4.7138 7.0180 106.0881 60.3321 71.5075 173.3196 108 E 4.3209 8.5451 118.7862 57.5474 28.7421 177.8594 109 D 4.5190 8.0416 119.3744 57.2520 41.3323 176.4173 110 D 5.3405 7.8922 115.8959 54.2975 42.1487 174.7982 111 L 5.0195 8.8083 118.2894 53.3462 45.6021 175.7919 112 S 4.8214 8.5761 115.3986 57.2215 66.2648 173.9229 113 F 5.0777 7.6802 117.1979 57.0249 41.3498 172.2922 114 H 5.0539 9.2417 116.0953 54.0654 33.0305 172.7797 115 K 4.1580 8.8575 123.6905 58.5580 31.9329 176.4225 116 G 4.0359 8.5225 113.4464 44.9673 0.0000 172.7716 117 E 4.0924 8.0995 121.8975 55.2766 30.6852 176.1224 118 K 4.3691 8.0818 125.8178 56.3228 33.6818 176.2376 119 F 5.3000 8.6533 119.4691 56.5595 44.3430 173.7740 120 Q 4.9055 8.8916 122.0227 54.2243 30.0671 174.8069 121 I 4.3490 8.4551 125.6795 61.2727 37.1895 176.2535 122 L 4.4583 8.5208 126.5414 55.5480 43.3530 176.7457 123 N 4.8284 7.6215 116.4104 52.4609 41.7343 174.2265 124 S 4.1586 8.2123 116.9540 57.7931 64.0826 173.8066 125 S 4.7721 7.3664 114.7045 58.4784 62.3830 173.5056 126 E 4.7034 8.4728 114.1299 55.3036 30.0798 174.2288 127 G 4.3124 8.5273 103.6398 44.5058 0.0000 175.2481 128 D 4.6381 8.9665 119.2570 56.0522 41.1078 176.2829 129 W 4.5965 7.7710 118.3887 54.9283 30.7599 175.8968 130 W 5.2813 8.3390 122.7147 55.1095 32.6322 174.7153 131 E 5.1648 9.1720 121.3847 54.7093 30.1582 175.4261 132 A 5.2101 8.3096 126.0012 49.8985 23.2245 174.5037 133 R 5.0537 8.4019 119.3935 54.0618 33.1275 175.0526 134 S 4.8013 8.9296 122.3431 58.7439 63.7152 174.9908 135 L 4.3562 8.8048 123.7012 55.6786 41.9283 177.2629 136 T 4.3975 7.8451 115.4784 64.9409 70.0813 175.6584 137 T 4.1327 8.0070 109.6826 62.1258 69.6115 175.8547 138 G 4.0033 8.3946 109.1278 44.5964 0.0000 173.0782 139 E 4.4373 7.7406 116.8299 55.6890 30.9187 175.7032 140 T 5.0886 7.9344 116.4406 62.2090 72.6161 174.3731 141 G 3.9864 8.0469 110.8195 46.4522 0.0000 171.2840 142 Y 5.5343 8.3831 118.3604 56.2750 41.7835 175.1507 143 I 4.7846 8.7444 115.9701 57.8873 42.1849 172.8618 144 P 2.9700 0.0000 0.0000 62.2186 31.1648 177.5859 145 S 2.9703 6.8958 118.5392 60.2665 62.6945 175.4760 146 N 4.5412 7.4424 115.7703 54.0586 37.4775 174.5604 147 Y 4.8153 7.8129 116.4825 58.0791 39.3186 175.3920 148 V 5.7660 7.9699 111.2666 58.7684 35.8294 174.7741 149 A 5.0889 8.5445 122.7324 49.7691 23.0777 173.5426 150 P 3.3635 0.0000 0.0000 62.0099 31.8813 177.1554 151 V 3.6483 7.6229 123.7086 61.8517 31.1651 176.0780 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 84 V 8.05 4.12 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 0.91 0.00 0.00 0.90 0.00 0.00 85 T 7.68 4.52 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 L 8.25 4.92 0.00 1.56 1.57 0.92 1.07 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 87 F 9.16 5.68 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 88 V 8.43 4.66 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 0.98 0.00 0.00 0.86 0.00 0.00 89 A 8.04 5.70 1.56 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 *100 L 8.63 3.95 0.00 0.63 0.86 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.08 5.01 0.00 2.09 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 0.00 102 D 8.77 4.74 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.94 0.00 2.90 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 0.00 0.00 0.00 104 E 7.83 4.09 0.00 1.77 1.75 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 1.87 2.08 0.00 105 A 7.41 3.61 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.76 0.00 1.80 1.94 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 107 T 7.02 4.71 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 1.17 0.00 0.00 108 E 8.55 4.32 0.00 1.98 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 0.00 2.29 2.32 0.00 109 D 8.04 4.52 0.00 2.77 2.75 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 0.00 110 D 7.89 5.34 0.00 2.70 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 0.00 111 L 8.81 5.02 0.00 1.76 1.73 0.94 0.86 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 0.00 112 S 8.58 4.82 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.68 5.08 0.00 3.47 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 0.00 114 H 9.24 5.05 0.00 3.22 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.86 4.16 0.00 1.81 1.81 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.43 7.81 116 G 8.52 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 0.00 0.00 0.00 117 E 8.10 4.09 0.00 2.31 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 1.68 1.96 0.00 118 K 8.08 4.37 0.00 1.52 1.60 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.31 7.81 119 F 8.65 5.30 0.00 3.14 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 0.00 120 Q 8.89 4.91 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 121 I 8.46 4.35 1.71 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 1.26 0.58 0.74 0.00 0.00 122 L 8.52 4.46 0.00 1.60 1.68 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 123 N 7.62 4.83 0.00 2.70 2.96 0.00 0.00 6.71 7.77 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 0.00 124 S 8.21 4.16 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.37 4.77 0.00 3.83 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 0.00 126 E 8.47 4.70 0.00 2.11 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 2.32 2.38 0.00 127 G 8.53 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 0.00 128 D 8.97 4.64 0.00 2.98 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 0.00 129 W 7.77 4.60 0.00 3.27 3.33 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 0.00 0.00 0.00 0.00 130 W 8.34 5.28 0.00 3.16 2.99 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 0.00 131 E 9.17 5.16 0.00 1.76 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 0.00 0.00 0.00 2.55 2.35 0.00 132 A 8.31 5.21 0.95 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 0.00 133 R 8.40 5.05 0.00 1.89 1.79 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 134 S 8.93 4.80 0.00 4.09 4.38 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 0.00 135 L 8.80 4.36 0.00 1.62 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.85 4.40 4.24 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 1.21 0.00 0.00 137 T 8.01 4.13 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 1.27 0.00 0.00 138 G 8.39 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 0.00 0.00 0.00 139 E 7.74 4.44 0.00 2.26 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 2.35 2.36 0.00 140 T 7.93 5.09 4.21 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 1.11 0.00 0.00 141 G 8.05 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 0.00 142 Y 8.38 5.53 0.00 3.18 3.20 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 0.00 0.00 0.00 0.00 143 I 8.74 4.78 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.87 0.00 0.00 144 P 0.00 2.97 0.00 1.46 1.00 0.00 3.23 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 0.00 145 S 6.90 2.97 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.44 4.54 0.00 2.86 2.84 0.00 0.00 5.98 7.58 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 0.00 147 Y 7.81 4.82 0.00 2.94 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.97 5.77 2.30 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 1.03 0.00 0.00 0.83 0.00 0.00 149 A 8.54 5.09 1.24 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 0.00 0.00 150 P 0.00 3.36 0.00 1.70 1.48 0.00 4.03 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 151 V 7.62 3.65 1.97 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 0.60 0.00 0.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.