NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *90 Y 4.5698 8.2445 119.1530 56.1923 38.9933 175.8817 91 R 4.4149 8.0446 117.8079 56.6007 32.3391 179.3898 92 K 4.3398 8.3986 116.4441 56.8584 33.3183 180.5939 93 H 4.4200 7.6609 120.7569 58.0891 30.6836 176.0648 *94 F 4.5518 7.7657 122.0923 57.4660 39.1975 178.9329 95 L 4.6970 7.1670 126.9461 54.5559 40.6121 181.7492 96 G 4.0326 8.5816 103.4103 47.2036 0.0000 172.8885 97 K 4.3521 7.3649 115.1988 56.1426 35.4322 177.1248 98 E 4.4329 7.9905 131.6683 55.5754 31.7926 174.0509 99 H 4.6381 8.0468 117.6232 54.0965 32.2316 172.5211 100 F 5.2822 8.7172 117.0621 55.8320 42.5711 174.2845 101 N 5.6343 8.6373 118.1606 51.8642 42.0208 173.0478 102 Y 5.1989 9.4428 122.4398 57.0732 42.7539 174.9988 *103 Y 4.5558 8.9113 122.8175 56.2101 37.7806 177.2202 *113 V 4.2062 8.3372 126.9837 62.5277 31.6138 174.8008 *114 F 4.7318 8.3475 127.0344 56.7345 39.8589 172.7461 115 S 5.2097 9.2323 119.2157 56.2543 65.9422 173.1830 116 L 5.2977 8.5418 124.8446 54.1878 43.6594 175.4543 117 K 4.6792 8.3959 120.9981 56.2927 36.1986 174.2696 *118 Y 4.9144 7.9681 127.5497 55.6861 39.7569 172.4254 119 D 4.3791 8.4554 122.3927 52.5563 41.6623 175.9272 120 V 4.3903 8.1380 120.9082 60.0068 36.0369 172.7026 *126 H 4.5690 8.3969 113.1774 55.5759 29.0367 172.7453 127 L 4.6226 8.3937 128.8066 54.5174 39.3441 177.0245 128 R 4.2597 8.5952 126.5302 57.3921 31.0334 175.9418 129 L 4.8684 8.1059 121.0089 53.9231 45.2580 176.4053 130 L 4.5417 9.3301 127.4907 53.0208 43.7140 176.1304 131 L 4.6187 8.4431 135.0000 53.8258 39.8527 176.2066 *151 P 4.2460 0.0000 0.0000 63.2008 31.4791 174.6336 152 N 4.7621 8.3267 125.4962 51.6591 38.3004 175.2795 153 V 3.5756 8.3464 118.2582 64.5687 32.0659 177.0429 154 V 3.8671 7.5191 119.7669 60.0761 33.4756 180.8139 *168 R 4.0535 8.3384 116.1940 58.4901 30.4510 171.5157 *169 F 4.8865 8.3480 120.7637 54.2655 40.5778 171.5351 170 Y 4.8825 8.4277 119.1643 56.8424 39.7155 173.1276 171 P 4.4090 0.0000 0.0000 62.0190 33.1387 175.6843 172 V 3.8838 8.2365 123.2889 62.0496 31.6329 175.4214 173 L 4.4569 8.5217 127.3373 54.5205 42.0864 176.1822 174 Y 4.6654 7.6935 121.6595 55.7824 38.1252 174.0857 175 P 4.1523 0.0000 0.0000 64.9391 31.8926 177.8619 176 K 3.8694 6.5306 116.1509 57.4088 32.7929 178.2563 177 A 4.1271 7.3236 121.7313 55.0278 17.7369 179.8719 178 S 4.1282 7.9988 114.8938 62.5467 63.0294 177.5446 179 R 3.9478 7.6084 123.1484 60.5896 28.9934 180.1454 180 L 4.4384 7.7473 117.5093 57.4693 41.6482 178.7115 181 I 3.7762 7.7782 118.5654 62.8066 37.0039 177.5973 182 V 4.0342 7.4874 119.6017 63.1577 31.7446 178.5172 183 T 3.8133 7.5520 119.2364 67.5563 68.3916 176.9824 *184 F 4.4248 8.0735 114.9795 57.8531 37.8383 177.0721 185 D 4.8774 7.7178 121.3079 56.0451 42.4441 177.5992 186 E 4.2300 8.1711 115.7534 57.0098 30.3281 182.4223 *395 E 4.3753 7.3451 112.9164 56.9986 31.7368 181.5284 396 T 4.4852 7.7571 110.3933 64.2733 69.5796 177.1954 397 L 4.1867 8.0288 124.2335 57.7076 41.8980 177.6860 398 Y 3.9982 8.2087 118.7834 61.3597 38.4610 177.9819 399 E 3.8944 8.2211 119.1151 59.1408 29.7520 178.5361 400 E 3.8103 7.6091 115.3805 59.7187 29.5565 178.8387 401 L 3.9339 8.3697 119.1663 58.2460 41.7544 179.2755 402 H 3.9651 8.3966 115.6135 59.1115 28.9897 177.7908 403 I 3.5742 7.5807 121.9205 64.3581 36.8582 177.2393 404 H 4.7121 7.0875 111.2348 56.4638 29.3106 176.4480 405 S 4.4051 8.1939 116.0449 59.7754 62.7934 174.8965 406 Q 4.5073 7.8092 120.9048 56.8955 30.2604 177.4791 407 S 4.2793 7.3978 113.1935 60.4720 63.0270 175.5336 408 M 4.2276 8.2070 120.6163 57.1758 32.0775 175.3693 409 M 4.2882 7.8625 123.0464 55.8706 32.6323 174.7417 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 *90 Y 8.24 4.57 0.00 2.35 2.25 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 91 R 8.04 4.41 0.00 1.85 1.79 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 92 K 8.40 4.34 0.00 1.76 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 0.97 7.81 93 H 7.66 4.42 0.00 3.07 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 F 7.77 4.55 0.00 2.34 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 0.00 0.00 0.00 95 L 7.17 4.70 0.00 1.64 1.01 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.58 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 97 K 7.36 4.35 0.00 1.68 1.60 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.33 7.81 98 E 7.99 4.43 0.00 1.83 1.73 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 2.16 2.26 0.00 99 H 8.05 4.64 0.00 3.20 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.72 5.28 0.00 3.22 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 0.00 101 N 8.64 5.63 0.00 2.63 2.71 0.00 0.00 6.78 7.48 0.00 0.00 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 Y 9.44 5.20 0.00 2.92 2.93 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 *103 Y 8.91 4.56 0.00 2.07 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 0.00 0.00 0.00 *113 V 8.34 4.21 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 1.34 0.00 0.00 1.12 0.00 0.00 *114 F 8.35 4.73 0.00 2.01 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 0.00 0.00 0.00 0.00 115 S 9.23 5.21 0.00 3.92 3.84 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 0.00 0.00 0.00 116 L 8.54 5.30 0.00 1.80 1.82 1.21 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.40 4.68 0.00 1.81 1.62 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.47 7.81 *118 Y 7.97 4.91 0.00 2.09 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 0.00 0.00 0.00 0.00 119 D 8.46 4.38 0.00 2.70 2.58 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 0.00 0.00 0.00 0.00 120 V 8.14 4.39 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 0.76 0.00 0.00 0.93 0.00 0.00 *126 H 8.40 4.57 0.00 2.95 2.93 0.00 7.17 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.39 4.62 0.00 1.66 1.64 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.60 4.26 0.00 1.53 1.80 0.00 3.32 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 129 L 8.11 4.87 0.00 1.37 1.39 0.92 0.76 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 0.00 130 L 9.33 4.54 0.00 1.70 1.55 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.44 4.62 0.00 1.70 1.19 0.92 0.88 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 *151 P 0.00 4.25 0.00 2.11 1.96 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 1.84 1.59 0.00 152 N 8.33 4.76 0.00 2.79 2.87 0.00 0.00 6.32 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 0.00 153 V 8.35 3.58 1.85 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 0.50 0.00 0.00 0.29 0.00 0.00 154 V 7.52 3.87 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 0.73 0.00 0.00 0.93 0.00 0.00 *168 R 8.34 4.05 0.00 1.85 1.80 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *169 F 8.35 4.89 0.00 2.28 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 0.00 0.00 0.00 0.00 170 Y 8.43 4.88 0.00 3.08 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 0.00 171 P 0.00 4.41 0.00 1.88 1.83 0.00 3.95 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 1.96 1.97 0.00 172 V 8.24 3.88 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 0.79 0.00 0.00 0.89 0.00 0.00 173 L 8.52 4.46 0.00 1.68 1.64 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 7.69 4.67 0.00 2.93 2.85 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 0.00 175 P 0.00 4.15 0.00 1.94 2.04 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 176 K 6.53 3.87 0.00 0.79 1.11 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.27 7.81 177 A 7.32 4.13 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 0.00 178 S 8.00 4.13 0.00 4.08 4.14 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 0.00 179 R 7.61 3.95 0.00 1.97 1.89 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 180 L 7.75 4.44 0.00 1.93 1.80 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.78 3.78 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.39 0.95 0.00 0.00 182 V 7.49 4.03 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 0.93 0.00 0.00 0.93 0.00 0.00 183 T 7.55 3.81 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 1.23 0.00 0.00 *184 F 8.07 4.42 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 0.00 185 D 7.72 4.88 0.00 2.83 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 0.00 186 E 8.17 4.23 0.00 1.98 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 2.19 2.11 0.00 *395 E 7.35 4.38 0.00 1.91 1.85 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 2.21 1.91 0.00 396 T 7.76 4.49 4.27 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 1.23 0.00 0.00 397 L 8.03 4.19 0.00 1.78 1.78 1.05 0.61 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 0.00 398 Y 8.21 4.00 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 E 8.22 3.89 0.00 2.17 1.93 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 2.36 2.42 0.00 400 E 7.61 3.81 0.00 2.33 2.00 0.00 0.00 0.00 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 2.52 0.00 401 L 8.37 3.93 0.00 1.59 1.47 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 402 H 8.40 3.97 0.00 3.00 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 I 7.58 3.57 1.89 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 1.49 0.75 0.74 0.00 0.00 404 H 7.09 4.71 0.00 3.14 3.35 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 S 8.19 4.41 0.00 3.84 3.87 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 0.00 406 Q 7.81 4.51 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 407 S 7.40 4.28 0.00 3.95 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 0.00 408 M 8.21 4.23 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.77 0.00 409 M 7.86 4.29 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.