NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.3020 8.1727 120.1346 56.3061 34.7283 177.5499 76 E 3.7357 8.2443 119.6423 58.4106 29.5241 176.6607 77 N 4.2897 8.3170 116.8690 56.7505 39.3911 175.8468 78 E 3.9880 8.0943 120.2402 59.2550 29.7838 178.6905 79 I 3.7489 8.1553 120.4738 64.1120 37.0418 178.4591 80 L 3.9961 8.1152 119.9727 57.9652 41.5059 179.7854 81 R 3.9675 8.1260 118.0252 59.1900 29.9968 179.1500 82 R 3.9237 8.3025 118.8485 59.4638 29.8567 178.4910 83 E 4.0538 8.1654 117.6934 59.0973 29.4943 178.9707 84 L 4.2268 8.0485 118.7732 58.0567 41.5910 179.0710 85 D 4.4192 8.1919 118.6886 56.6165 40.6229 178.8719 86 R 3.8533 7.4642 120.1268 55.8332 30.1545 177.1575 *88 R 4.1319 7.8648 111.9424 55.1247 31.2684 175.5789 89 V 3.9798 7.0833 110.9038 59.8868 32.5658 174.2889 90 P 4.4184 0.0000 0.0000 61.8745 31.8205 174.5690 91 P 4.5222 0.0000 0.0000 62.5747 32.1984 175.5580 92 L 4.9531 8.1326 119.7928 53.0549 45.4319 175.6817 93 I 4.2953 8.3403 122.7865 60.1936 39.1260 175.2737 94 V 4.3250 8.3876 126.9158 62.6716 33.0946 174.9787 95 G 4.6320 9.1353 113.6190 45.3196 0.0000 170.7998 96 T 5.1821 8.8691 115.6348 61.3046 72.3417 174.2931 97 V 3.8539 8.8605 127.0470 63.4671 32.1130 176.3969 98 V 3.9595 8.7946 129.1655 64.4469 32.2344 175.6473 99 D 4.5602 7.4511 116.1416 52.6286 41.7645 175.4634 100 K 4.4326 8.8387 120.3118 56.4140 32.9826 177.0007 101 V 4.2258 8.8564 121.6106 63.3948 33.5274 175.1069 102 G 4.2364 7.4739 106.2425 43.8782 0.0000 172.3474 103 E 4.0525 8.8291 117.4671 58.9209 29.7287 178.0169 104 R 4.8192 7.6819 113.7666 55.5177 32.6232 175.0612 105 K 5.1481 8.1183 117.4816 54.9171 36.2859 175.7608 106 V 4.8878 8.6064 116.0077 59.8414 36.8113 174.1202 107 V 4.6269 8.6515 123.2685 61.9199 33.2308 175.1663 108 V 4.9059 9.0460 120.9036 59.4253 35.6649 174.7916 109 K 4.6530 9.3282 126.7549 55.1046 33.0994 175.6140 110 S 4.7716 8.7295 123.7026 57.9748 63.2210 175.2097 111 S 4.4178 8.7154 121.0922 60.3188 62.8961 175.0682 112 T 4.0705 7.5836 110.4798 61.8677 68.4168 174.3668 113 G 4.0403 7.6748 114.5182 45.7477 0.0000 172.9908 114 P 4.3773 0.0000 0.0000 61.7633 32.5691 175.3225 115 S 5.2087 7.8835 114.9040 57.4945 64.7568 173.6338 116 F 4.8843 9.0154 120.2278 55.8877 43.9045 173.2822 117 L 5.0312 8.6663 123.2073 54.0799 42.9320 175.8504 118 V 4.6887 8.7655 118.9397 59.4723 36.5719 174.5876 119 N 5.0451 8.5906 118.8743 52.9617 40.2646 174.5825 120 V 4.5491 8.5469 123.6505 61.4752 32.2763 176.0679 121 S 4.5768 8.8077 123.5991 58.3058 64.1731 174.9166 122 H 4.4051 8.5646 115.0439 57.0627 28.4269 175.8556 123 F 4.5243 7.8893 118.0852 57.8495 39.1318 175.2844 124 V 4.3791 7.5373 120.1307 60.8118 34.2453 174.3205 125 N 4.6923 8.5712 124.9278 51.6362 39.1615 173.4560 126 P 4.3569 0.0000 0.0000 65.9258 31.6708 178.4585 127 D 4.3481 8.5706 117.5044 57.3594 40.7330 176.9916 128 D 4.6722 8.3602 116.8023 54.8138 40.9887 177.3421 129 L 4.4619 7.6717 121.5306 52.9624 40.5132 175.5047 130 A 4.6953 7.5285 124.8256 49.0588 21.4605 175.1850 131 P 4.5600 0.0000 0.0000 64.3663 31.5726 176.4427 132 G 4.0517 9.0596 111.1525 45.1205 0.0000 173.9991 133 K 4.1011 8.2381 122.2909 56.6501 33.3662 176.1366 134 R 4.8629 8.5869 126.0288 55.8861 31.7290 175.8204 135 V 4.9520 8.8378 115.5718 59.9809 36.8996 173.8470 136 C 5.0469 9.4540 120.7421 58.2822 30.2919 172.9844 137 L 5.1589 8.8654 123.9641 52.4260 44.3159 175.6007 138 N 4.6279 8.8339 122.7702 53.6812 39.3508 175.9361 139 Q 3.9327 8.8874 123.8064 58.9695 28.9806 177.5504 140 Q 4.2208 8.4526 117.2427 57.2933 29.2477 176.4823 141 T 4.3287 7.7504 103.7653 60.1799 70.1176 174.2307 142 L 3.6227 8.2397 120.8365 55.5085 40.1039 174.2807 143 T 4.0336 7.3457 114.8222 62.1688 68.6760 173.4556 144 V 4.2269 8.7023 128.8639 63.5277 31.9683 176.3902 145 V 4.5384 8.4028 121.3222 60.6256 32.8465 175.2084 146 D 4.4668 7.5130 118.3515 53.7887 44.3833 174.3014 147 V 4.7439 8.4583 121.7785 61.1494 33.7537 174.9229 148 L 4.6222 8.5882 126.8087 52.7709 43.1488 175.0848 149 P 4.2926 0.0000 0.0000 62.8288 31.2233 176.2771 150 E 4.1475 8.6765 122.1242 56.5006 29.4631 176.9159 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 75 K 8.17 4.30 0.00 1.84 1.93 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 E 8.24 3.74 0.00 2.11 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 2.38 2.43 0.00 77 N 8.32 4.29 0.00 2.88 2.80 0.00 0.00 6.81 7.65 0.00 0.00 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 8.09 3.99 0.00 2.08 2.11 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 2.38 2.40 0.00 79 I 8.16 3.75 1.99 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 0.58 0.92 0.00 0.00 80 L 8.12 4.00 0.00 1.86 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.13 3.97 0.00 1.89 2.01 0.00 3.27 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 82 R 8.30 3.92 0.00 1.90 2.19 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 83 E 8.17 4.05 0.00 2.14 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 2.62 2.50 0.00 84 L 8.05 4.23 0.00 1.89 2.01 1.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.19 4.42 0.00 2.69 2.67 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 86 R 7.46 3.85 0.00 1.93 2.08 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 *88 R 7.86 4.13 0.00 1.75 1.79 0.00 2.63 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 89 V 7.08 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00 90 P 0.00 4.42 0.00 2.01 1.97 0.00 3.64 0.00 0.00 3.66 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 91 P 0.00 4.52 0.00 2.16 2.03 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 92 L 8.13 4.95 0.00 1.48 1.63 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.34 4.30 1.83 0.00 0.00 0.80 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 0.55 0.90 0.00 0.00 94 V 8.39 4.32 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 95 G 9.14 4.63 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 0.00 0.00 0.00 96 T 8.87 5.18 4.26 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 0.00 0.00 0.00 1.28 0.00 0.00 97 V 8.86 3.85 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 0.94 0.00 0.00 0.99 0.00 0.00 98 V 8.79 3.96 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 0.83 0.00 0.00 0.95 0.00 0.00 99 D 7.45 4.56 0.00 2.70 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 0.00 100 K 8.84 4.43 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.52 7.81 101 V 8.86 4.23 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 0.79 0.00 0.00 0.94 0.00 0.00 102 G 7.47 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 0.00 0.00 0.00 0.00 103 E 8.83 4.05 0.00 1.95 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 2.31 2.39 0.00 104 R 7.68 4.82 0.00 1.78 1.85 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 105 K 8.12 5.15 0.00 1.66 1.65 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.44 7.81 106 V 8.61 4.89 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 0.70 0.00 0.00 0.96 0.00 0.00 107 V 8.65 4.63 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 1.04 0.00 0.00 0.95 0.00 0.00 108 V 9.05 4.91 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 0.78 0.00 0.00 1.06 0.00 0.00 109 K 9.33 4.65 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 110 S 8.73 4.77 0.00 4.13 4.07 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 0.00 0.00 0.00 0.00 111 S 8.72 4.42 0.00 4.06 4.05 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 0.00 112 T 7.58 4.07 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 1.23 0.00 0.00 113 G 7.67 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 0.00 114 P 0.00 4.38 0.00 1.72 2.06 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 115 S 7.88 5.21 0.00 3.66 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 0.00 116 F 9.02 4.88 0.00 2.96 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 0.00 117 L 8.67 5.03 0.00 1.67 1.63 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.77 4.69 2.15 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 0.72 0.00 0.00 1.00 0.00 0.00 119 N 8.59 5.05 0.00 2.65 2.73 0.00 0.00 6.38 7.68 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 0.00 120 V 8.55 4.55 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 0.79 0.00 0.00 0.94 0.00 0.00 121 S 8.81 4.58 0.00 4.20 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 0.00 122 H 8.56 4.41 0.00 3.08 3.26 0.00 5.54 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.89 4.52 0.00 3.21 3.13 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 0.00 0.00 0.00 124 V 7.54 4.38 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 0.80 0.00 0.00 1.07 0.00 0.00 125 N 8.57 4.69 0.00 2.76 2.94 0.00 0.00 7.15 7.71 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 0.00 126 P 0.00 4.36 0.00 2.21 2.23 0.00 3.66 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 127 D 8.57 4.35 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 4.67 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 0.00 129 L 7.67 4.46 0.00 1.75 1.63 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.53 4.70 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.19 2.33 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 132 G 9.06 4.05 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 0.00 0.00 0.00 133 K 8.24 4.10 0.00 2.07 1.70 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.48 7.81 134 R 8.59 4.86 0.00 1.78 1.83 0.00 3.29 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 135 V 8.84 4.95 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 0.77 0.00 0.00 0.98 0.00 0.00 136 C 9.45 5.05 0.00 2.79 2.81 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 0.00 137 L 8.87 5.16 0.00 1.47 1.50 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.83 4.63 0.00 2.75 2.66 0.00 0.00 6.70 7.18 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 0.00 139 Q 8.89 3.93 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 140 Q 8.45 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 141 T 7.75 4.33 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 1.19 0.00 0.00 142 L 8.24 3.62 0.00 1.59 1.64 -0.33 0.97 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 0.00 143 T 7.35 4.03 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 1.22 0.00 0.00 144 V 8.70 4.23 2.11 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 0.91 0.00 0.00 0.95 0.00 0.00 145 V 8.40 4.54 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 1.09 0.00 0.00 0.94 0.00 0.00 146 D 7.51 4.47 0.00 2.65 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.46 4.74 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 0.96 0.00 0.00 0.95 0.00 0.00 148 L 8.59 4.62 0.00 1.55 1.57 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.29 0.00 2.17 2.10 0.00 3.76 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 1.98 1.98 0.00 150 E 8.68 4.15 0.00 1.99 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 2.32 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.