NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.3825 8.4444 120.2235 56.4698 30.9082 174.8559 12 V 4.0574 8.9067 123.2929 63.6474 33.1437 174.0793 13 Y 4.8931 7.9371 119.8254 56.4902 42.8222 173.3448 14 S 4.7274 7.6432 119.6809 57.1671 65.5174 172.6285 15 E 4.4613 8.7188 127.5404 54.4034 32.7540 175.0552 16 K 4.0441 8.2207 127.5973 54.4954 34.6707 174.6682 *18 F 4.4556 8.1661 116.6706 57.7292 39.7391 173.7641 19 T 4.8407 7.7076 109.6389 59.9579 71.6109 173.7810 20 E 4.1806 8.8075 119.2089 57.4094 29.6881 176.8221 21 S 4.7979 7.6130 114.4859 56.5357 65.5911 173.7324 22 E 4.4355 8.6046 117.3046 57.0357 29.1345 175.4330 23 R 4.8762 7.9862 121.8530 55.4579 32.0036 175.1171 24 T 4.6467 8.8188 122.7259 61.8288 72.2911 172.4477 25 Y 5.1557 8.2724 121.7990 56.6187 40.8241 175.3237 26 F 5.4315 8.9407 121.9276 55.0589 43.1642 173.4953 *28 N 5.0120 8.5272 115.2017 54.0798 40.4134 173.6356 29 V 4.8266 8.9909 123.2686 61.1842 33.9314 174.6228 30 K 4.7529 8.4127 126.1180 54.3709 36.3005 174.4127 31 E 4.6195 8.1633 122.7315 54.3887 31.8353 175.9331 32 N 5.0135 9.4403 125.7611 52.0242 39.4756 175.8687 33 R 3.8754 8.5540 116.2854 59.5121 30.0987 178.3937 34 K 3.9054 7.9570 116.9334 57.9763 32.2069 177.2525 35 G 3.9609 7.8546 106.1467 44.7403 0.0000 173.3589 36 D 4.8724 8.5878 120.5228 54.3776 42.3506 175.2438 37 Y 5.0515 9.9518 120.1223 57.0970 40.1844 174.6858 38 F 5.4972 8.8210 116.8443 55.2838 42.1258 172.9885 39 L 5.0520 9.1479 123.0345 53.9302 43.9371 174.6889 40 N 5.0303 9.3151 124.4245 51.8830 41.4537 173.1859 41 I 4.7307 8.3885 127.3809 59.5911 39.8864 174.8975 42 V 4.9009 8.9854 126.5813 61.0245 34.8337 173.4832 43 E 4.9454 9.5609 128.9459 54.4771 31.9632 174.1954 44 S 5.1531 9.3949 122.1132 56.4211 65.3114 172.2145 45 K 5.1053 9.2176 129.2969 54.4605 34.4640 174.9786 46 R 3.8979 8.7951 128.7833 56.2868 30.7064 176.1373 47 S 4.6025 8.7777 122.3684 56.5752 64.6431 173.6284 48 P 4.1769 0.0000 0.0000 65.6545 31.1214 178.0974 49 S 4.1474 7.8558 110.7102 59.2233 63.1928 175.0488 50 G 3.7644 8.1397 110.2955 45.1240 0.0000 173.3248 51 D 4.6990 7.4157 119.7031 54.0231 42.4878 175.1100 52 F 5.2204 8.5897 117.8920 55.8819 42.2131 174.5804 53 E 4.7512 9.3390 123.5161 54.9276 31.2067 175.3181 54 R 5.2188 8.5024 120.0115 54.6921 32.8674 174.4974 55 H 4.9302 9.2595 117.8852 54.1903 32.5558 172.3553 56 S 5.0489 8.8119 117.2221 56.5195 65.3038 172.8907 57 I 4.6809 8.7449 127.3155 59.4576 40.6198 174.3935 58 F 5.2513 8.7415 123.6178 55.6366 42.1973 174.8550 59 V 4.1531 8.6505 121.8499 61.1063 34.4755 174.4017 60 Y 4.9281 8.3988 125.6332 57.7609 38.6312 176.3180 61 E 4.1615 9.0668 121.8401 59.7197 29.4560 178.5479 62 E 4.1309 8.6229 116.7020 58.2672 30.2235 177.0184 63 N 4.8082 8.2150 119.3679 51.6453 37.8885 174.4772 *65 N 4.6733 8.0097 118.9489 53.1662 41.3614 176.9179 66 E 3.9551 8.1469 117.8524 59.0644 29.6722 178.4146 67 F 4.0944 8.5605 120.9610 61.2120 39.4862 176.7155 68 E 3.8707 8.3255 118.4909 59.3317 29.5284 178.4949 69 S 4.0475 8.2504 113.2413 61.5360 62.5850 175.9306 70 N 4.2821 8.1590 119.1156 56.1550 38.1446 177.4581 71 L 3.7800 7.7269 120.4930 57.7262 41.7025 179.5235 72 L 3.9297 7.9444 118.9245 57.6347 41.3436 179.8375 73 K 3.9317 8.0114 118.2142 59.3264 32.0982 179.3216 74 A 3.9668 7.7791 120.6162 55.2641 18.2506 179.7033 75 I 3.6996 8.0278 118.4616 64.4399 37.0433 178.4207 76 A 3.9354 8.0449 121.6075 55.0615 18.2023 179.6483 77 V 3.5047 7.4885 116.7334 66.3374 31.4850 178.4509 78 I 3.6856 7.3334 117.8328 64.3686 36.9527 178.5007 79 K 3.9346 8.2181 119.5100 59.6138 31.6338 179.3797 80 Q 3.9617 8.0896 117.4107 58.7120 28.9383 178.4790 81 K 4.0459 7.9317 120.4383 59.5660 32.0693 178.9162 82 V 3.6028 7.8709 117.6515 65.9619 31.5947 177.5549 83 S 4.3500 8.0609 111.1282 59.8313 63.2957 174.5165 84 T 4.2170 7.6244 121.9619 62.4761 67.2767 173.6260 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 11 E 8.44 4.38 0.00 1.97 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 2.22 2.31 0.00 12 V 8.91 4.06 2.36 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 0.86 0.00 0.00 1.06 0.00 0.00 13 Y 7.94 4.89 0.00 3.10 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 14 S 7.64 4.73 0.00 3.83 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 15 E 8.72 4.46 0.00 1.79 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 2.29 2.28 0.00 16 K 8.22 4.04 0.00 1.47 1.40 0.00 1.70 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.21 7.81 *18 F 8.17 4.46 0.00 3.08 2.97 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 0.00 19 T 7.71 4.84 4.33 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 1.45 0.00 0.00 20 E 8.81 4.18 0.00 2.01 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 2.32 2.32 0.00 21 S 7.61 4.80 0.00 4.00 3.92 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 22 E 8.60 4.44 0.00 2.04 2.21 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 2.36 2.44 0.00 23 R 7.99 4.88 0.00 1.91 1.69 0.00 3.08 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 24 T 8.82 4.65 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 0.32 0.00 0.00 25 Y 8.27 5.16 0.00 2.76 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 26 F 8.94 5.43 0.00 2.82 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 *28 N 8.53 5.01 0.00 2.70 2.82 0.00 0.00 6.33 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 29 V 8.99 4.83 2.22 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 1.07 0.00 0.00 0.91 0.00 0.00 30 K 8.41 4.75 0.00 0.79 1.15 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.25 7.81 31 E 8.16 4.62 0.00 1.54 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 32 N 9.44 5.01 0.00 3.06 3.34 0.00 0.00 6.58 6.55 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 33 R 8.55 3.88 0.00 1.79 2.02 0.00 3.27 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 34 K 7.96 3.91 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 35 G 7.85 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.59 4.87 0.00 2.79 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 37 Y 9.95 5.05 0.00 2.95 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 38 F 8.82 5.50 0.00 3.31 3.27 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 39 L 9.15 5.05 0.00 1.76 1.47 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.32 5.03 0.00 2.62 2.61 0.00 0.00 7.08 7.94 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 41 I 8.39 4.73 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 1.00 0.00 0.00 42 V 8.99 4.90 2.21 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 1.02 0.00 0.00 0.81 0.00 0.00 43 E 9.56 4.95 0.00 2.20 1.87 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 2.10 1.78 0.00 44 S 9.39 5.15 0.00 4.00 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 45 K 9.22 5.11 0.00 1.82 1.66 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.34 7.81 46 R 8.80 3.90 0.00 1.81 1.72 0.00 3.31 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.00 47 S 8.78 4.60 0.00 3.75 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 48 P 0.00 4.18 0.00 2.00 2.09 0.00 3.63 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 49 S 7.86 4.15 0.00 3.94 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 50 G 8.14 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.42 4.70 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 52 F 8.59 5.22 0.00 2.90 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 53 E 9.34 4.75 0.00 1.95 1.87 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 2.27 2.25 0.00 54 R 8.50 5.22 0.00 1.74 1.86 0.00 2.92 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 55 H 9.26 4.93 0.00 3.09 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.81 5.05 0.00 3.77 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 57 I 8.74 4.68 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.89 0.00 0.00 58 F 8.74 5.25 0.00 2.63 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 59 V 8.65 4.15 1.70 0.00 0.00 0.00 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 -0.31 0.00 0.00 60 Y 8.40 4.93 0.00 2.99 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 61 E 9.07 4.16 0.00 2.10 2.45 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 2.55 2.39 0.00 62 E 8.62 4.13 0.00 2.13 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 0.00 2.38 2.38 0.00 63 N 8.22 4.81 0.00 2.87 2.90 0.00 0.00 6.79 7.73 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 *65 N 8.01 4.67 0.00 2.81 2.93 0.00 0.00 6.63 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.15 3.96 0.00 2.08 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 2.42 2.39 0.00 67 F 8.56 4.09 0.00 3.29 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 68 E 8.33 3.87 0.00 2.17 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 2.37 2.38 0.00 69 S 8.25 4.05 0.00 3.92 3.96 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 0.00 0.00 0.00 70 N 8.16 4.28 0.00 2.86 2.71 0.00 0.00 7.07 6.04 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 71 L 7.73 3.78 0.00 1.42 1.52 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.94 3.93 0.00 1.80 1.68 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.01 3.93 0.00 1.94 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 74 A 7.78 3.97 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 75 I 8.03 3.70 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.87 0.00 0.00 76 A 8.04 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.49 3.50 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 1.01 0.00 0.00 0.96 0.00 0.00 78 I 7.33 3.69 1.98 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 1.51 0.49 0.90 0.00 0.00 79 K 8.22 3.93 0.00 1.77 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 80 Q 8.09 3.96 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 81 K 7.93 4.05 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 82 V 7.87 3.60 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 0.92 0.00 0.00 83 S 8.06 4.35 0.00 4.06 3.96 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 0.00 0.00 0.00 84 T 7.62 4.22 4.47 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.