NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 Q 4.2976 8.3449 121.7146 54.7260 31.2584 175.9042 87 P 4.2159 0.0000 0.0000 62.0220 33.0703 175.1713 88 L 3.9925 8.4376 123.7593 58.3358 42.5293 178.7736 89 N 4.3779 8.1990 116.4855 56.2169 37.1471 177.0957 90 Q 4.0346 8.0504 119.8452 58.5287 28.9170 178.4371 91 V 3.6562 7.9145 119.3491 66.0750 31.5666 178.1656 92 I 3.8738 7.9841 119.6554 64.8122 37.1894 178.6584 93 T 4.0158 8.1705 110.6236 64.8464 68.6072 176.2372 94 N 4.4133 8.8504 120.0264 56.2092 38.5874 177.5189 95 S 4.4101 8.5232 115.9534 61.6031 63.1370 176.6590 96 T 3.6029 8.2464 113.5795 64.4668 68.4836 176.7034 97 R 3.8473 7.8961 120.5856 59.1897 29.9482 178.7662 98 Q 3.8798 8.0392 117.6764 58.5757 29.0747 177.3914 99 F 4.0474 7.9156 115.6015 56.0226 39.5164 175.2715 100 N 4.1714 7.6117 114.5222 54.2492 36.3642 174.2321 101 I 3.8553 7.5531 118.4569 60.5674 38.1614 176.0749 102 E 4.2927 8.3719 124.6322 55.2131 30.0763 174.7992 103 L 4.4107 8.2593 127.4379 54.7593 42.5086 176.2383 104 I 4.1803 8.6841 127.6938 63.6124 38.0961 176.2826 105 R 4.7720 7.8170 119.5865 55.3535 33.3449 173.7986 106 V 5.1803 8.6009 117.4445 59.6720 35.3376 175.0276 107 Q 4.7053 9.1524 125.7837 53.4054 30.8791 173.2721 108 P 4.4917 0.0000 0.0000 63.0933 31.8692 176.5852 109 R 4.7220 8.3030 121.6767 55.8822 33.0514 177.3168 110 G 3.9344 8.7165 112.8689 46.3825 0.0000 175.0469 111 E 4.2045 9.0274 121.2183 56.7030 29.9256 175.2374 *114 Q 4.2552 7.9379 119.0984 55.9113 30.5856 173.7201 115 V 4.8144 8.0053 124.9640 60.8673 34.6044 174.4489 116 W 5.0156 9.6603 127.8770 54.8606 31.8619 174.7236 117 I 5.1249 8.3468 116.6442 58.9040 40.2893 175.1679 118 Q 4.2909 8.7627 122.9013 55.1694 29.3410 174.5708 119 P 4.7312 0.0000 0.0000 63.6047 32.1941 175.5590 120 L 4.6360 8.6304 121.1678 53.8576 44.3033 173.2025 121 P 4.6298 0.0000 0.0000 62.7624 32.1664 177.3628 122 F 4.2185 9.1066 123.7041 61.6049 39.2814 177.7141 123 S 4.0741 8.2378 113.3933 61.3779 62.7321 176.2496 124 Q 4.0023 8.0030 122.7458 58.7756 28.8743 177.4588 125 L 4.0690 7.7986 121.4125 58.3679 42.0592 179.2359 126 V 3.3577 7.5777 118.1326 66.0244 31.3702 178.2023 127 S 4.1563 8.1929 115.0023 61.1208 62.6019 176.5152 128 W 2.9089 8.1495 131.1011 60.1164 30.4790 178.1422 129 I 2.9935 7.8004 119.6620 64.0486 36.4853 178.2487 130 A 3.8529 8.0872 121.9066 55.1845 18.1261 178.7682 131 Y 3.9638 7.9103 118.0511 61.0199 38.8120 178.5742 132 L 3.6646 7.7228 119.8814 57.7160 41.4379 179.5863 133 Q 3.9665 7.6576 116.4519 58.9067 28.7194 177.6684 134 E 4.1457 7.9940 119.3466 57.6553 29.9119 177.8792 135 R 4.4078 7.8039 115.9386 55.7535 31.9425 176.5059 136 Q 4.3182 7.3084 114.1042 54.5618 30.3079 175.7778 137 G 3.6856 8.0560 105.2330 45.9862 0.0000 173.5323 138 V 4.2969 7.5124 119.9253 61.1990 32.2563 175.6046 139 S 4.5598 8.7916 125.0774 57.3416 65.1608 173.8218 140 V 4.0526 8.0371 122.3466 62.6034 31.1820 174.9557 141 D 4.6963 9.1869 128.5465 55.8681 42.3736 176.4173 142 A 4.7523 7.6020 118.2779 50.6496 22.6975 175.0082 143 I 4.9087 8.0733 119.8223 59.9605 41.5806 173.6857 144 D 4.6967 9.1053 127.3691 53.0629 44.3924 173.8495 145 I 5.1184 8.5348 126.2410 59.7011 40.3847 174.5295 146 D 5.1045 8.9348 125.1087 52.0446 45.2128 175.4565 147 R 4.1755 8.5437 118.7308 57.0810 30.9373 177.4925 148 G 3.6000 8.5832 113.9049 46.7149 0.0000 176.4410 *153 V 4.1656 8.7228 115.9019 61.3871 34.2453 174.8166 154 V 4.8594 8.8064 114.4606 59.8390 35.3961 174.7307 155 E 4.8072 9.0047 122.6170 55.0128 31.6275 175.4251 156 V 4.5448 8.3986 124.4404 61.5447 31.7931 175.1572 157 K 4.3799 9.1041 129.3737 58.6909 33.1112 177.9476 158 R 4.5671 7.7399 119.0623 54.8528 33.8994 173.8818 159 L 4.9887 8.0353 127.1876 54.0519 45.8692 173.9963 160 Q 4.6475 9.1578 125.1739 54.1177 32.1751 174.3333 161 L 5.1213 8.5298 123.5437 52.8569 44.5245 175.8215 162 K 4.8302 9.1486 122.5471 54.8337 36.2407 175.2804 163 R 4.6155 8.9481 126.4249 54.6361 32.4182 174.8335 164 G 4.2994 8.7601 116.1408 44.8742 0.0000 172.9568 165 G 3.7125 8.6967 110.3881 45.5684 0.0000 173.5593 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 86 Q 8.34 4.30 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 87 P 0.00 4.22 0.00 2.30 1.97 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 88 L 8.44 3.99 0.00 1.71 1.67 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.20 4.38 0.00 3.03 3.10 0.00 0.00 6.26 7.50 0.00 0.00 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 Q 8.05 4.03 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 91 V 7.91 3.66 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 1.08 0.00 0.00 1.03 0.00 0.00 92 I 7.98 3.87 2.10 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 1.63 0.59 1.10 0.00 0.00 93 T 8.17 4.02 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 1.31 0.00 0.00 94 N 8.85 4.41 0.00 2.83 2.99 0.00 0.00 6.74 7.61 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 95 S 8.52 4.41 0.00 4.51 4.56 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 96 T 8.25 3.60 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 1.12 0.00 0.00 97 R 7.90 3.85 0.00 2.09 2.01 0.00 3.14 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 1.85 0.00 98 Q 8.04 3.88 0.00 1.98 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 1.60 2.00 0.00 99 F 7.92 4.05 0.00 3.06 3.05 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 0.00 0.00 0.00 100 N 7.61 4.17 0.00 2.82 2.86 0.00 0.00 6.92 8.08 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 0.00 101 I 7.55 3.86 1.31 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.29 0.00 0.00 102 E 8.37 4.29 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 103 L 8.26 4.41 0.00 1.59 1.56 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.68 4.18 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.89 0.00 0.00 105 R 7.82 4.77 0.00 1.78 1.85 0.00 2.79 0.00 0.00 2.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 106 V 8.60 5.18 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 0.87 0.00 0.00 1.02 0.00 0.00 107 Q 9.15 4.71 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 108 P 0.00 4.49 0.00 2.25 2.08 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 109 R 8.30 4.72 0.00 1.77 1.91 0.00 3.25 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 110 G 8.72 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.20 0.00 2.03 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 0.00 2.38 2.28 0.00 *114 Q 7.94 4.26 0.00 1.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 115 V 8.01 4.81 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 1.01 0.00 0.00 0.97 0.00 0.00 116 W 9.66 5.02 0.00 3.30 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 0.00 117 I 8.35 5.12 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.82 0.00 0.00 118 Q 8.76 4.29 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 119 P 0.00 4.73 0.00 1.95 2.11 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 120 L 8.63 4.64 0.00 1.87 1.69 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.63 0.00 2.24 2.07 0.00 3.86 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 2.14 2.11 0.00 122 F 9.11 4.22 0.00 3.12 3.10 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 0.00 0.00 0.00 0.00 123 S 8.24 4.07 0.00 4.13 4.19 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 0.00 0.00 0.00 124 Q 8.00 4.00 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 125 L 7.80 4.07 0.00 1.84 1.65 1.17 0.99 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 0.00 126 V 7.58 3.36 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 0.97 0.00 0.00 0.09 0.00 0.00 127 S 8.19 4.16 0.00 4.16 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 0.00 128 W 8.15 2.91 0.00 3.05 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 0.00 129 I 7.80 2.99 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.69 0.00 0.00 130 A 8.09 3.85 1.33 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 0.00 0.00 131 Y 7.91 3.96 0.00 3.15 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 0.00 132 L 7.72 3.66 0.00 1.46 1.53 -0.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.66 3.97 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 134 E 7.99 4.15 0.00 1.90 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 0.00 2.24 2.46 0.00 135 R 7.80 4.41 0.00 0.78 1.66 0.00 3.30 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 136 Q 7.31 4.32 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 1.82 2.22 0.00 137 G 8.06 3.69 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 0.00 0.00 0.00 138 V 7.51 4.30 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 0.65 0.00 0.00 0.88 0.00 0.00 139 S 8.79 4.56 0.00 3.72 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.04 4.05 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 0.70 0.00 0.00 0.76 0.00 0.00 141 D 9.19 4.70 0.00 2.59 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 0.00 142 A 7.60 4.75 1.15 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 0.00 0.00 143 I 8.07 4.91 1.84 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 1.26 0.89 0.91 0.00 0.00 144 D 9.11 4.70 0.00 2.73 2.46 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 0.00 145 I 8.53 5.12 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 1.04 0.00 0.00 146 D 8.93 5.10 0.00 2.57 2.53 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 0.00 0.00 0.00 0.00 147 R 8.54 4.18 0.00 1.69 1.85 0.00 3.31 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 148 G 8.58 3.60 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 0.00 0.00 0.00 *153 V 8.72 4.17 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 1.01 0.00 0.00 0.95 0.00 0.00 154 V 8.81 4.86 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 0.86 0.00 0.00 1.18 0.00 0.00 155 E 9.00 4.81 0.00 1.94 1.90 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 2.28 2.26 0.00 156 V 8.40 4.54 2.14 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 0.85 0.00 0.00 1.01 0.00 0.00 157 K 9.10 4.38 0.00 1.85 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.42 7.81 158 R 7.74 4.57 0.00 1.84 1.68 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 159 L 8.04 4.99 0.00 1.73 1.53 0.87 1.10 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 0.00 160 Q 9.16 4.65 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.52 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 161 L 8.53 5.12 0.00 1.42 1.44 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 162 K 9.15 4.83 0.00 1.67 1.51 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.49 7.81 163 R 8.95 4.62 0.00 1.73 1.72 0.00 3.28 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 164 G 8.76 4.30 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 0.00 165 G 8.70 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 * Residues marked with a * may have inaccurate shift predictions.