NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2937 8.3144 120.1349 56.6336 33.9249 174.7379 11 N 4.8782 8.1785 115.8100 52.2441 38.8444 169.2271 12 V 3.9971 7.6135 111.9945 60.6924 34.1838 176.3421 13 T 4.1607 8.3113 117.6395 62.7839 67.9756 172.7949 14 L 4.9612 8.9375 125.6977 53.2116 46.4685 175.5199 15 T 4.9691 8.3734 116.1632 62.0110 71.5232 173.5176 16 I 4.5498 8.9569 127.6930 59.3866 40.3239 174.8532 17 R 5.1243 8.6223 124.7183 54.3332 33.0032 174.9354 18 L 4.8446 9.2242 123.0818 52.8978 44.8336 175.4725 19 L 5.1376 8.3009 124.1225 53.1529 44.2918 175.2939 *21 H 4.7589 8.5303 119.5307 55.3288 30.2022 174.6014 22 G 3.7806 8.8908 109.9854 48.1996 0.0000 176.0493 23 K 3.8972 8.1382 120.5097 59.4249 32.1177 178.9834 24 E 3.9756 8.1750 118.0283 59.4210 29.3244 179.5115 25 V 3.6936 7.8332 118.4506 65.7968 31.6097 178.0226 26 G 3.7744 8.3233 105.8319 48.1522 0.0000 175.5215 27 S 4.1120 7.6561 114.1652 61.1195 62.5123 175.9571 28 I 3.8473 7.6174 121.4218 64.3330 37.1099 178.3312 29 I 3.8434 8.0444 121.0295 63.4906 37.2254 177.8178 30 G 4.2759 7.7713 103.4820 44.8197 0.0000 172.7980 31 K 4.0110 8.4116 117.9760 58.1112 32.3760 177.4366 32 K 3.8330 9.6812 120.3005 56.9837 29.9979 175.6275 33 G 3.9708 8.3492 105.0090 46.8081 0.0000 176.3730 34 E 4.0136 8.4305 122.5978 58.8226 28.9938 179.3825 35 S 4.1030 7.8967 112.5762 61.3906 62.7720 176.1678 36 V 3.7613 7.5824 120.4304 64.3042 31.3854 177.7858 37 K 4.0722 8.0873 120.6089 59.2222 31.9701 179.3375 38 K 4.0221 7.5748 116.5915 57.2643 31.4630 178.3585 *40 R 4.2843 7.9210 118.0265 55.8946 31.8401 177.8992 41 E 3.8021 8.5308 116.0331 58.5990 29.7048 177.7803 42 E 4.4226 8.1422 117.5231 57.7886 30.7574 177.6357 43 S 4.1710 8.0727 113.1751 59.0711 63.5442 175.8233 44 G 3.9413 7.6525 106.6731 45.5856 0.0000 173.0298 45 A 4.5942 7.7359 121.1389 50.7095 20.2284 177.6985 46 R 4.1114 8.8324 122.1457 56.2534 31.3307 175.3189 47 I 5.0108 8.3967 126.6933 59.4899 40.1769 174.2773 48 N 5.0433 9.1810 125.4624 51.7118 42.0475 172.7926 49 I 5.0260 8.2628 126.3426 59.0623 39.3631 175.6813 50 S 4.3069 8.7731 122.5555 58.5789 63.4922 174.3049 51 E 4.0817 8.6094 121.2450 57.4212 30.0908 177.4982 52 G 3.9425 8.7581 109.7031 45.9862 0.0000 174.0260 53 N 4.6293 8.2579 121.5993 52.5778 37.2583 173.9234 54 C 4.6551 7.5049 118.0114 57.3191 30.6116 172.4671 55 P 4.4148 0.0000 0.0000 65.1022 31.1874 176.3339 56 E 4.9992 7.9781 115.6294 54.5016 32.6969 175.7409 57 R 4.8126 8.5546 121.0908 54.4034 35.2534 174.0052 58 I 4.6146 8.7180 121.2383 59.7655 40.3406 174.7180 59 I 4.7805 8.7631 128.5372 60.0920 39.2389 174.7065 60 T 5.0239 9.0403 124.3030 61.7606 71.0901 173.4206 61 L 5.2645 9.2638 125.8413 52.8737 44.9948 175.4456 62 A 5.0429 9.9368 124.9037 49.1435 22.8488 176.4189 63 G 4.2194 8.0477 109.2520 43.7644 0.0000 170.0867 64 P 4.7779 0.0000 0.0000 62.2371 33.3819 177.0129 65 T 3.7020 8.4427 109.2914 65.1276 68.4649 175.9082 66 N 4.5393 8.3395 119.0952 55.7351 37.2046 176.9416 67 A 4.4849 7.8392 123.8052 54.4109 18.5643 179.4725 68 I 3.6347 7.7270 118.3452 64.5533 37.0686 178.6711 69 F 4.4047 8.4289 118.9802 60.5505 38.5228 177.9210 70 K 4.0441 8.0123 116.5977 59.4443 31.9749 179.0152 71 A 4.1657 7.9352 119.6831 55.0921 18.5731 179.1340 72 F 4.2667 8.6823 119.3201 61.2829 39.3832 177.5177 73 A 4.1502 8.2928 117.9371 53.1918 18.4632 179.0553 *75 I 3.9601 7.6885 122.2385 62.6831 39.2393 178.3842 76 I 3.5796 7.4401 114.2708 63.8535 36.9875 177.9658 77 D 4.2725 8.0084 120.1823 56.9819 41.0789 178.1466 78 K 4.1708 7.9625 119.5800 59.7491 31.9972 178.6870 79 L 4.0338 7.7694 117.7742 57.5129 41.5562 178.7746 80 E 4.0728 7.9923 118.4807 58.5509 29.6091 176.8510 81 E 4.2552 7.7485 122.4210 56.6502 29.6653 176.4004 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 10 K 8.31 4.29 0.00 1.76 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 11 N 8.18 4.88 0.00 2.69 2.69 0.00 0.00 7.01 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.61 4.00 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 0.72 0.00 0.00 0.91 0.00 0.00 13 T 8.31 4.16 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 1.20 0.00 0.00 14 L 8.94 4.96 0.00 1.49 1.41 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.37 4.97 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 1.19 0.00 0.00 16 I 8.96 4.55 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.88 0.83 0.00 0.00 17 R 8.62 5.12 0.00 1.64 1.80 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 18 L 9.22 4.84 0.00 1.54 1.58 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.30 5.14 0.00 1.62 1.53 0.97 1.10 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 *21 H 8.53 4.76 0.00 3.26 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.14 3.90 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 24 E 8.17 3.98 0.00 2.18 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 2.42 2.41 0.00 25 V 7.83 3.69 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 1.10 0.00 0.00 0.93 0.00 0.00 26 G 8.32 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 0.00 0.00 0.00 27 S 7.66 4.11 0.00 3.82 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 28 I 7.62 3.85 2.00 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 1.49 0.77 0.90 0.00 0.00 29 I 8.04 3.84 1.87 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 1.45 0.68 0.91 0.00 0.00 30 G 7.77 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.41 4.01 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 32 K 9.68 3.83 0.00 1.88 1.87 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.36 7.81 33 G 8.35 3.97 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 0.00 0.00 0.00 34 E 8.43 4.01 0.00 2.03 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 2.48 2.46 0.00 35 S 7.90 4.10 0.00 3.86 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 36 V 7.58 3.76 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 0.84 0.00 0.00 0.93 0.00 0.00 37 K 8.09 4.07 0.00 1.96 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 K 7.57 4.02 0.00 1.81 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.56 7.81 *40 R 7.92 4.28 0.00 2.08 2.00 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 41 E 8.53 3.80 0.00 1.99 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 2.35 2.43 0.00 42 E 8.14 4.42 0.00 2.01 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 2.28 2.46 0.00 43 S 8.07 4.17 0.00 4.10 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 44 G 7.65 3.94 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 0.00 0.00 0.00 45 A 7.74 4.59 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 46 R 8.83 4.11 0.00 1.90 1.81 0.00 3.03 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 47 I 8.40 5.01 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.92 0.00 0.00 48 N 9.18 5.04 0.00 2.72 2.61 0.00 0.00 6.59 7.57 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 49 I 8.26 5.03 1.87 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 1.40 0.78 0.91 0.00 0.00 50 S 8.77 4.31 0.00 3.86 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 51 E 8.61 4.08 0.00 1.98 1.92 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 2.31 2.25 0.00 52 G 8.76 3.94 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 0.00 0.00 0.00 53 N 8.26 4.63 0.00 2.70 2.77 0.00 0.00 7.03 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 54 C 7.50 4.66 0.00 3.13 2.84 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 55 P 0.00 4.41 0.00 2.19 2.12 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 56 E 7.98 5.00 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 57 R 8.55 4.81 0.00 1.68 1.77 0.00 3.23 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 58 I 8.72 4.61 1.87 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 1.22 0.76 0.95 0.00 0.00 59 I 8.76 4.78 1.89 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 1.23 0.71 0.93 0.00 0.00 60 T 9.04 5.02 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 1.20 0.00 0.00 61 L 9.26 5.26 0.00 1.49 1.53 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.94 5.04 1.17 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 0.00 0.00 63 G 8.05 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 0.00 0.00 0.00 0.00 64 P 0.00 4.78 0.00 2.41 2.20 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 65 T 8.44 3.70 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 1.17 0.00 0.00 66 N 8.34 4.54 0.00 3.01 3.21 0.00 0.00 6.14 7.99 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 67 A 7.84 4.48 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.63 1.67 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 1.70 0.82 0.65 0.00 0.00 69 F 8.43 4.40 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.04 0.00 1.98 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.64 7.81 71 A 7.94 4.17 1.38 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 0.00 0.00 72 F 8.68 4.27 0.00 3.11 3.19 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 73 A 8.29 4.15 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.69 3.96 1.81 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 1.43 0.92 0.79 0.00 0.00 76 I 7.44 3.58 1.69 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.26 0.00 0.00 77 D 8.01 4.27 0.00 2.67 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 78 K 7.96 4.17 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.58 7.81 79 L 7.77 4.03 0.00 1.75 1.68 0.86 0.75 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 80 E 7.99 4.07 0.00 2.09 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 2.31 2.33 0.00 81 E 7.75 4.26 0.00 2.22 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 2.33 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.