NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.4170 0.0000 0.0000 61.9346 31.6155 175.4957 10 Q 3.9473 8.4225 122.1050 55.0667 29.3801 174.5589 11 T 4.5165 8.2827 115.9813 59.7995 70.9076 172.5972 12 D 4.3401 8.7090 127.6186 54.4184 41.1711 175.4965 13 A 4.4743 8.4314 128.8189 52.0763 19.5014 177.2040 14 R 4.1078 7.9030 115.9678 55.0637 30.7109 175.0442 15 P 4.2343 0.0000 0.0000 63.0057 31.8836 175.5564 16 L 4.3771 8.2354 123.8224 52.9062 42.9465 174.7655 17 P 4.4332 0.0000 0.0000 63.2518 31.7047 176.0199 18 Q 4.5668 8.5545 116.8709 55.3541 30.5380 175.6335 19 D 5.0029 7.6389 118.8582 51.2886 42.7986 176.5419 20 F 3.9891 8.8146 123.9343 61.8302 39.4121 177.4780 21 E 3.8280 8.2652 117.3083 59.8187 29.4993 179.4353 22 T 3.8522 8.3379 115.5413 66.4194 68.4795 176.7979 23 A 3.9166 7.8459 122.7985 54.7326 18.2696 179.4376 24 L 3.5867 7.7874 119.0060 58.2630 42.2373 179.1192 25 A 4.0768 7.8617 120.6429 55.1375 18.2212 179.2288 26 E 3.8873 8.0441 117.6065 59.0601 29.6973 178.7076 27 L 3.8983 7.9444 120.5318 57.9929 42.1373 178.6059 28 E 3.9211 8.3930 118.8340 59.7728 29.5026 179.3862 29 S 4.1119 7.9140 114.6933 61.6319 62.6709 176.8292 30 L 3.9085 7.8166 121.8094 58.2039 41.9960 178.7743 31 V 3.7274 7.6346 116.8404 65.9798 31.6991 177.6157 32 S 4.5256 8.3150 113.8809 60.7188 62.1876 176.8897 33 A 4.1183 7.8087 120.5648 52.8662 17.5730 178.7486 *35 E 4.2606 8.2006 120.4353 57.8020 31.4423 177.0090 36 N 4.2889 8.2816 115.0974 53.6103 38.6876 175.7542 37 G 3.9404 7.6506 106.1113 46.4627 0.0000 175.1549 38 T 4.0581 7.7110 118.2303 65.4453 68.7160 175.3575 39 L 4.3910 7.6318 120.8485 52.9441 42.8537 175.3451 40 P 4.5033 0.0000 0.0000 61.6388 33.4101 177.1121 41 L 3.8960 8.4692 119.7287 58.8650 41.8650 178.6816 42 E 3.9739 8.1638 117.4579 59.8074 29.4947 179.4720 43 Q 4.0885 8.0431 117.2227 58.8386 28.8095 178.7723 44 S 4.2352 8.4909 117.0063 61.5305 62.8865 176.6310 45 L 4.1325 8.1837 121.8173 57.5719 41.3506 179.4800 46 S 4.1149 8.1157 112.8623 61.2912 62.2853 175.9837 47 A 4.0156 8.5283 123.9854 55.1713 17.9590 178.9667 48 Y 4.0297 8.1265 118.0502 61.0553 38.9207 178.5864 49 R 3.6569 7.8754 118.4593 59.1166 30.0394 179.1129 50 R 3.9134 8.1575 118.6606 59.2923 30.0221 178.8194 51 G 3.4884 8.2803 105.9665 47.6552 0.0000 175.7054 52 V 3.4185 7.6031 120.9362 65.8352 31.4740 178.0037 53 E 3.9412 7.9025 118.1399 59.3503 29.2854 179.4430 54 L 3.9367 8.2231 119.1514 57.7339 41.7237 179.4138 55 A 4.0182 8.2718 121.0336 54.9557 18.2444 179.7194 56 R 3.8334 8.0521 117.5738 59.3360 30.0991 178.7663 57 V 3.5746 7.7863 118.0804 66.2714 31.4976 177.5712 58 C 4.3110 8.0619 116.2117 63.2819 27.9860 176.3244 59 Q 4.0487 8.2695 119.3183 58.9811 28.1869 178.6283 60 D 4.3594 8.2123 119.8264 57.5987 40.8508 179.1164 61 R 3.9468 8.2289 118.4945 59.2909 30.0082 179.2047 62 L 3.8278 8.2750 118.7382 57.5209 41.5174 179.4450 63 A 3.9563 8.2652 120.9536 55.2946 18.3904 179.6775 64 Q 3.9048 8.3385 116.5755 59.0650 28.7847 179.0259 65 A 3.9603 8.2368 122.0035 54.9167 18.3409 179.2514 66 E 3.8067 8.2908 117.9273 59.5255 29.7626 178.6990 67 Q 3.9397 8.1893 119.6565 59.2663 29.0367 178.1283 68 Q 3.9284 8.1349 120.4000 59.2490 29.0525 178.5666 69 V 3.5388 7.8602 119.1733 65.6949 31.5667 177.6321 70 K 3.9751 8.3513 119.8787 59.7364 32.0213 178.6864 71 V 3.5846 7.8615 118.2149 66.1829 31.4291 178.0256 72 L 4.0409 7.9589 118.6287 57.6657 41.3992 179.3163 73 E 4.0551 8.7042 119.2931 59.2423 29.1695 179.4971 74 G 3.6452 7.9500 104.6591 48.1463 0.0000 175.2095 75 D 4.5046 8.2143 121.5458 56.5377 40.5520 178.7054 76 L 4.0188 7.7108 120.5242 57.7155 42.2128 178.3797 77 L 4.5602 7.3875 117.0404 56.2238 41.1200 178.3851 78 R 3.9351 7.6137 119.9425 59.3733 30.1225 174.2923 79 P 4.3987 0.0000 0.0000 62.7825 31.2725 176.0400 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 9 P 0.00 4.42 0.00 2.07 2.12 0.00 3.65 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 1.93 2.12 0.00 10 Q 8.42 3.95 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 11 T 8.28 4.52 4.25 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 1.21 0.00 0.00 12 D 8.71 4.34 0.00 2.67 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 13 A 8.43 4.47 1.27 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 0.00 0.00 14 R 7.90 4.11 0.00 1.90 1.87 0.00 3.18 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 15 P 0.00 4.23 0.00 2.02 2.00 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 16 L 8.24 4.38 0.00 1.56 1.55 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.43 0.00 2.18 2.01 0.00 3.72 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 1.94 2.05 0.00 18 Q 8.55 4.57 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 19 D 7.64 5.00 0.00 2.90 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 20 F 8.81 3.99 0.00 3.22 3.17 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 21 E 8.27 3.83 0.00 2.19 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 0.00 2.40 1.97 0.00 22 T 8.34 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 A 7.85 3.92 1.27 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 0.00 0.00 24 L 7.79 3.59 0.00 0.87 1.37 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.86 4.08 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 26 E 8.04 3.89 0.00 2.05 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 2.26 2.28 0.00 27 L 7.94 3.90 0.00 1.82 1.79 0.88 0.71 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 28 E 8.39 3.92 0.00 2.15 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 2.31 2.42 0.00 29 S 7.91 4.11 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.82 3.91 0.00 1.71 1.88 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.63 3.73 2.20 0.00 0.00 0.00 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 0.98 0.00 0.00 32 S 8.32 4.53 0.00 3.95 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 33 A 7.81 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 E 8.20 4.26 0.00 2.19 2.27 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 2.59 2.50 0.00 36 N 8.28 4.29 0.00 2.88 2.90 0.00 0.00 7.02 7.27 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 37 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 38 T 7.71 4.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 39 L 7.63 4.39 0.00 1.64 1.60 0.93 1.02 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 40 P 0.00 4.50 0.00 2.27 1.99 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 41 L 8.47 3.90 0.00 1.74 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.16 3.97 0.00 2.15 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 2.40 1.98 0.00 43 Q 8.04 4.09 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 44 S 8.49 4.24 0.00 3.98 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 45 L 8.18 4.13 0.00 1.73 1.76 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.12 4.11 0.00 4.09 4.02 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 47 A 8.53 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.03 0.00 3.10 3.21 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 0.00 49 R 7.88 3.66 0.00 2.04 1.93 0.00 3.35 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 50 R 8.16 3.91 0.00 1.97 2.03 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 G 8.28 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.42 1.83 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 0.90 0.00 0.00 0.22 0.00 0.00 53 E 7.90 3.94 0.00 2.15 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 0.00 2.45 2.45 0.00 54 L 8.22 3.94 0.00 1.74 1.64 0.87 0.84 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 55 A 8.27 4.02 1.30 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 56 R 8.05 3.83 0.00 1.98 2.11 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 57 V 7.79 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 58 C 8.06 4.31 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 4.05 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 60 D 8.21 4.36 0.00 2.97 2.89 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 61 R 8.23 3.95 0.00 2.13 2.05 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 62 L 8.28 3.83 0.00 1.82 1.65 0.96 0.15 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 63 A 8.27 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.34 3.90 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 65 A 8.24 3.96 1.28 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 66 E 8.29 3.81 0.00 2.12 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 0.00 2.29 2.35 0.00 67 Q 8.19 3.94 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 68 Q 8.13 3.93 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 69 V 7.86 3.54 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 0.98 0.00 0.00 0.96 0.00 0.00 70 K 8.35 3.98 0.00 1.97 1.96 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 V 7.86 3.58 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 0.97 0.00 0.00 0.96 0.00 0.00 72 L 7.96 4.04 0.00 1.89 1.69 0.91 0.99 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 73 E 8.70 4.06 0.00 2.17 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 0.00 2.32 2.32 0.00 74 G 7.95 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.21 4.50 0.00 2.85 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 76 L 7.71 4.02 0.00 1.81 1.87 0.92 1.03 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 77 L 7.39 4.56 0.00 1.83 1.72 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.61 3.94 0.00 2.01 1.99 0.00 3.30 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 79 P 0.00 4.40 0.00 2.08 1.97 0.00 3.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.