NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.4410 0.0000 0.0000 62.9155 33.7404 174.4282 2 F 5.3843 8.7407 124.9231 55.9981 42.2494 172.5577 3 I 4.2271 8.2953 126.2525 59.2489 41.1466 173.1952 4 N 5.1542 8.3726 125.1871 51.6345 41.2673 173.2584 5 I 4.5061 8.9600 127.0701 59.4329 40.1664 174.4781 6 K 5.1494 8.7898 126.8245 54.5525 33.9130 175.5410 7 L 4.8202 9.1820 124.9232 54.1163 44.6785 175.1814 8 V 4.7216 7.8544 119.6598 60.0121 32.3338 173.9282 9 P 4.5783 0.0000 0.0000 63.8567 32.2045 176.2848 10 E 4.4903 9.2084 118.7658 56.7311 34.3733 176.0000 11 N 4.0264 9.6987 116.9003 53.2109 34.5348 175.3922 12 G 4.0594 7.9804 108.6848 45.8241 0.0000 172.9345 13 G 3.9728 8.0078 109.5266 43.4033 0.0000 170.8280 14 P 4.9411 0.0000 0.0000 61.8601 32.7582 176.6061 15 T 4.3395 8.4900 111.7673 61.0222 71.3887 175.7510 16 N 4.4345 8.6662 120.4340 57.0051 38.4866 178.1917 17 E 4.0382 8.1276 119.4260 61.0734 29.9521 181.8259 18 Q 4.7499 7.7482 120.2176 58.5164 28.8074 179.0185 19 K 4.0016 8.1798 119.4849 59.4195 31.9428 179.2308 20 Q 3.9829 8.0718 120.0424 59.2303 29.0631 178.2453 21 Q 3.9934 8.0330 119.1272 58.6402 28.5778 178.7245 22 L 3.9920 7.8670 120.0988 57.6983 41.7871 179.3094 23 I 3.6509 7.6455 119.6977 64.5449 37.1337 178.0946 24 E 4.0451 8.4904 120.2395 59.0835 29.3663 179.0622 25 G 3.5906 8.2182 105.7772 48.1423 0.0000 176.2598 26 V 3.7253 8.0912 115.8250 63.4989 31.1203 179.0995 27 S 4.1145 7.9491 115.0314 61.8215 62.6672 176.3571 28 D 4.3615 8.1841 121.5234 57.1419 40.4814 178.5196 29 L 3.9284 7.7425 120.5885 58.5895 41.9680 179.0379 30 M 4.1120 7.8220 118.6176 58.2603 31.7549 179.0130 31 V 3.6388 7.5307 118.0852 65.7537 31.5375 177.9315 32 K 3.8730 8.0139 118.3070 59.6292 32.1591 178.6514 33 V 3.7917 8.0571 117.2958 65.2033 31.6551 176.5260 34 L 4.5299 7.8475 114.5393 53.4135 42.8113 175.5716 35 N 4.2540 8.1532 116.7204 54.3453 37.7271 174.0933 36 K 4.2967 7.6722 115.0276 55.2874 33.7638 176.8445 37 N 4.4565 8.4996 120.2757 53.0866 39.1532 175.8705 38 K 3.9042 8.8359 127.3859 59.2244 32.6279 178.3521 39 A 4.0032 8.3058 121.1501 54.7707 18.3033 177.9475 40 S 4.6207 7.6774 107.8361 58.2439 63.4215 173.8857 41 I 4.3084 7.3935 123.0009 61.2270 37.7079 175.4237 42 V 4.5044 8.7084 126.8148 61.0246 34.1525 174.3343 43 V 4.7918 8.4800 126.6347 61.1133 34.6855 174.4199 44 I 4.6813 8.7434 127.5404 59.5524 40.7685 174.2033 45 I 4.9511 8.5093 127.1011 59.5857 39.5080 174.5367 46 D 5.0234 9.6221 127.3513 52.5216 43.7053 174.8057 47 E 5.0966 8.8392 122.7857 54.8711 31.1796 175.4331 48 V 4.5028 8.6797 124.6730 60.7123 34.6373 174.6236 49 D 4.5267 8.7190 126.8876 53.8627 42.0882 176.9704 50 S 4.3102 8.8474 119.9044 61.6693 62.8701 175.7047 51 N 4.6749 9.2230 116.2583 54.3236 38.4405 175.1371 52 N 4.8581 8.5035 115.0952 52.7887 39.6771 173.5336 53 Y 4.5617 8.0250 120.7699 55.4656 40.8034 174.2459 54 G 4.4273 8.3998 115.7605 43.6005 0.0000 172.2730 55 L 4.4455 8.6477 124.5338 54.3721 44.4151 176.5797 56 G 3.8671 9.4191 113.8315 46.2391 0.0000 173.7407 57 G 4.0102 8.9232 106.1820 44.8246 0.0000 173.5541 58 E 4.7866 7.7530 117.2533 53.3840 33.5244 175.5428 59 S 4.8194 8.3945 116.5593 58.2518 65.3769 175.6411 60 V 3.6576 8.9188 123.6154 66.3422 30.9631 178.1153 61 H 4.0651 7.8884 117.1410 59.5664 30.0694 176.4596 62 H 4.3459 8.3634 120.0501 59.2381 29.4709 177.2139 63 L 4.1938 7.8548 120.0355 57.5354 41.5267 178.8240 64 R 4.0995 7.7694 115.2622 55.7696 30.2727 176.5893 65 Q 3.7708 8.2425 123.9992 56.3500 29.5124 173.3386 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 *1 P 0.00 4.44 0.00 2.14 1.98 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 2 F 8.74 5.38 0.00 3.05 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 3 I 8.30 4.23 1.68 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 1.03 0.37 0.77 0.00 0.00 4 N 8.37 5.15 0.00 2.46 2.58 0.00 0.00 7.00 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 5 I 8.96 4.51 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.90 0.00 0.00 6 K 8.79 5.15 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 7 L 9.18 4.82 0.00 1.57 1.69 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.85 4.72 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 1.09 0.00 0.00 0.41 0.00 0.00 9 P 0.00 4.58 0.00 1.97 2.07 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 10 E 9.21 4.49 0.00 1.83 1.74 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 2.15 2.12 0.00 11 N 9.70 4.03 0.00 2.81 2.76 0.00 0.00 6.76 7.51 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 12 G 7.98 4.06 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 0.00 0.00 0.00 13 G 8.01 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 14 P 0.00 4.94 0.00 2.18 2.04 0.00 3.75 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 1.94 1.93 0.00 15 T 8.49 4.34 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 1.21 0.00 0.00 16 N 8.67 4.43 0.00 2.83 2.91 0.00 0.00 6.92 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 17 E 8.13 4.04 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 2.31 1.97 0.00 18 Q 7.75 4.75 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 19 K 8.18 4.00 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.61 7.81 20 Q 8.07 3.98 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 21 Q 8.03 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 22 L 7.87 3.99 0.00 1.92 1.69 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.65 3.65 2.02 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 1.39 1.28 0.91 0.00 0.00 24 E 8.49 4.05 0.00 2.02 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 2.43 2.33 0.00 25 G 8.22 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 0.00 0.00 0.00 26 V 8.09 3.73 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 0.90 0.00 0.00 0.99 0.00 0.00 27 S 7.95 4.11 0.00 4.09 3.90 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 28 D 8.18 4.36 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 29 L 7.74 3.93 0.00 1.86 1.86 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.82 4.11 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 31 V 7.53 3.64 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 1.09 0.00 0.00 1.05 0.00 0.00 32 K 8.01 3.87 0.00 1.93 1.96 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 33 V 8.06 3.79 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 0.89 0.00 0.00 0.96 0.00 0.00 34 L 7.85 4.53 0.00 1.73 1.64 0.93 1.37 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 35 N 8.15 4.25 0.00 2.78 2.82 0.00 0.00 7.12 7.15 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 36 K 7.67 4.30 0.00 1.79 1.72 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 37 N 8.50 4.46 0.00 2.80 2.71 0.00 0.00 6.61 6.10 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 38 K 8.84 3.90 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 39 A 8.31 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.68 4.62 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.31 1.88 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 1.13 0.69 0.91 0.00 0.00 42 V 8.71 4.50 2.30 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 1.22 0.00 0.00 1.00 0.00 0.00 43 V 8.48 4.79 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 0.83 0.00 0.00 0.88 0.00 0.00 44 I 8.74 4.68 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 0.98 0.00 0.00 45 I 8.51 4.95 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.91 0.00 0.00 46 D 9.62 5.02 0.00 2.56 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 47 E 8.84 5.10 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 48 V 8.68 4.50 2.29 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 1.07 0.00 0.00 1.04 0.00 0.00 49 D 8.72 4.53 0.00 2.74 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 50 S 8.85 4.31 0.00 4.08 4.15 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 0.00 0.00 0.00 51 N 9.22 4.67 0.00 2.83 2.90 0.00 0.00 6.89 8.66 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 52 N 8.50 4.86 0.00 2.83 2.85 0.00 0.00 6.67 7.45 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 53 Y 8.03 4.56 0.00 3.02 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 54 G 8.40 4.43 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 0.00 0.00 0.00 55 L 8.65 4.45 0.00 1.86 1.58 1.01 1.06 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 56 G 9.42 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 0.00 0.00 0.00 57 G 8.92 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.75 4.79 0.00 2.08 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 2.22 2.23 0.00 59 S 8.39 4.82 0.00 4.11 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 60 V 8.92 3.66 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 0.93 0.00 0.00 0.93 0.00 0.00 61 H 7.89 4.07 0.00 3.22 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.36 4.35 0.00 3.36 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.85 4.19 0.00 1.85 1.72 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.77 4.10 0.00 1.88 1.90 0.00 3.27 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 65 Q 8.24 3.77 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.