NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4201 8.3044 120.3281 55.5398 33.4265 174.3072 2 T 4.3320 8.2060 115.3912 60.7630 68.9441 172.8828 3 S 4.7732 8.5211 121.0461 58.4056 64.4001 175.2212 4 V 3.5280 7.6209 122.7399 65.0806 31.2847 172.5441 5 F 3.7160 8.1948 129.5299 57.4071 39.3305 173.7932 6 D 4.4129 8.0904 128.6051 53.8027 41.1593 177.3827 7 R 4.4835 7.8336 123.3281 55.2533 29.7970 176.8206 8 D 4.5305 7.7076 118.3406 54.3474 39.6115 176.7433 9 D 4.6693 7.6505 118.1744 52.5596 42.1059 176.5176 10 I 4.2604 8.2268 125.5218 59.6329 38.6175 174.6835 11 Q 4.6750 8.7248 127.4814 54.8500 31.1023 174.9086 12 F 5.4060 9.6478 121.1040 56.0137 43.9358 173.3605 13 Q 4.8700 9.6480 116.3833 55.1128 32.5273 173.8286 14 V 4.7569 7.9285 119.1142 61.9163 33.2029 175.0575 15 V 5.2832 9.2929 121.5137 59.5428 35.1948 174.8810 16 V 5.4515 8.9800 123.4403 59.2172 34.1993 174.9933 17 N 3.9653 7.9503 122.8341 51.8891 40.5527 174.9634 18 H 4.2179 7.1376 114.8327 56.9985 27.1698 175.7877 19 E 4.2697 7.6065 119.8407 55.2842 29.5716 175.5890 20 E 3.6684 7.7352 116.3960 56.9903 29.1587 174.4920 21 Q 4.1166 6.7789 114.8561 55.9921 30.5330 173.5674 22 Y 5.3453 8.2414 117.4284 56.8117 39.9592 175.0360 23 S 5.1306 9.6991 119.9579 56.8663 67.9668 172.6202 24 I 5.1411 8.3631 113.4936 59.3988 40.1288 174.9586 25 W 5.2713 9.2448 133.1277 55.2851 34.6478 172.2951 26 P 4.6938 0.0000 0.0000 62.4478 31.4012 177.2803 27 E 3.8062 8.5257 125.0455 59.0422 29.5814 177.2823 28 Y 4.3911 7.3845 113.6409 58.1440 38.5152 175.0702 29 K 4.7288 7.5247 119.5709 54.0693 34.5658 175.6748 30 E 4.2771 8.7559 123.1280 55.9792 30.3298 176.5122 31 I 3.1338 8.1398 126.6652 59.8482 38.1739 174.2850 32 P 4.2005 0.0000 0.0000 62.1566 31.7483 175.8068 33 Q 4.2379 8.5150 120.8307 56.9094 27.3285 175.4427 34 G 3.7603 8.6254 111.1605 44.7993 0.0000 172.7332 35 W 5.1708 7.9145 119.0621 54.8621 32.5004 174.8644 36 R 4.8576 8.7029 116.4583 54.5311 32.9421 174.0341 37 A 4.9102 8.6115 121.3869 52.0412 19.3482 176.5460 38 A 4.5409 9.3758 122.4097 50.4959 23.0301 179.5543 39 G 3.3656 8.9089 109.5774 46.4636 0.0000 176.4348 40 K 4.5423 7.6417 124.3496 54.1302 34.9054 174.4813 41 S 5.0945 8.8316 120.2471 56.1831 65.6722 175.8137 42 G 4.0577 8.0423 110.3594 45.7446 0.0000 172.1811 43 L 4.7455 7.9071 123.8304 53.8815 43.8796 177.7608 44 K 3.8842 8.8014 120.7123 59.6359 32.0790 178.7975 45 K 4.1638 8.1255 118.6195 60.1578 32.3611 178.7164 46 D 4.4063 8.0090 119.6280 57.3571 40.8257 178.3280 47 C 4.2816 8.0036 116.8730 62.5866 28.2610 176.0031 48 L 3.9776 8.4834 120.7480 57.8157 41.1571 179.3225 49 A 3.9944 8.1336 120.5846 55.3325 18.2287 178.8917 50 Y 4.0083 8.0529 117.8530 61.1708 38.6977 178.5776 51 I 3.5595 7.7370 119.0704 64.1381 37.2020 177.6898 52 E 4.0278 7.7887 119.0855 59.3619 29.5079 178.1136 53 E 3.9168 7.4313 117.6478 59.5999 29.6497 178.9326 54 V 4.3238 7.4163 116.0266 61.8785 32.3881 175.8642 55 W 4.6940 7.6471 128.4139 55.4830 33.0010 174.3404 56 T 4.5286 6.6938 116.3507 60.5361 69.9185 172.7425 57 D 4.5170 8.4496 123.7190 55.6713 44.9297 176.2039 58 M 4.2207 8.1347 117.0919 57.1629 32.5816 176.5331 59 R 4.4179 7.3602 116.1425 53.2714 33.2576 173.3628 60 P 4.5429 0.0000 0.0000 61.9709 31.2736 176.5696 61 L 4.2200 8.0853 124.3880 56.8619 40.6936 178.1666 62 S 4.2481 8.0208 116.3311 60.4020 62.7924 175.9131 63 L 3.5333 7.8346 124.5575 58.5973 39.7795 179.1204 64 R 4.0147 8.0184 116.5842 58.3313 29.5187 177.6940 65 Q 4.3563 7.9222 117.9467 56.8416 28.7948 176.8200 66 H 4.5662 7.9787 117.6213 58.1489 28.9627 177.0121 67 M 4.2463 7.4729 120.3352 58.7866 31.8476 177.2337 68 D 4.4745 8.0457 117.6368 56.6297 41.4759 176.5622 69 K 4.5816 8.7216 119.8432 56.6771 37.2635 177.1223 70 A 4.4858 7.6515 118.1809 52.2986 20.1915 176.6761 71 A 3.9379 8.9363 118.8899 54.1406 16.1632 179.0383 72 G 3.7543 7.6146 112.9736 47.5265 0.0000 173.6977 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 M 8.30 4.42 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 T 8.21 4.33 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 1.23 0.00 0.00 3 S 8.52 4.77 0.00 3.89 3.85 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 4 V 7.62 3.53 2.10 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 0.72 0.00 0.00 0.94 0.00 0.00 5 F 8.19 3.72 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 6 D 8.09 4.41 0.00 2.42 2.42 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 7 R 7.83 4.48 0.00 1.89 1.82 0.00 3.53 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 8 D 7.71 4.53 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.65 4.67 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.23 4.26 1.79 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 0.68 0.72 1.00 0.00 0.00 11 Q 8.72 4.68 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.30 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 12 F 9.65 5.41 0.00 2.83 3.05 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 13 Q 9.65 4.87 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 14 V 7.93 4.76 2.31 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 1.28 0.00 0.00 1.00 0.00 0.00 15 V 9.29 5.28 2.33 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 0.85 0.00 0.00 0.97 0.00 0.00 16 V 8.98 5.45 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 0.86 0.00 0.00 0.76 0.00 0.00 17 N 7.95 3.97 0.00 1.44 1.77 0.00 0.00 6.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.14 4.22 0.00 3.14 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.61 4.27 0.00 1.83 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 0.00 2.23 2.25 0.00 20 E 7.74 3.67 0.00 1.97 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 2.08 2.06 0.00 21 Q 6.78 4.12 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.98 0.00 0.00 0.00 0.00 0.00 1.87 2.29 0.00 22 Y 8.24 5.35 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 23 S 9.70 5.13 0.00 3.86 3.80 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 0.00 0.00 0.00 24 I 8.36 5.14 1.86 0.00 0.00 0.64 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 0.61 0.96 0.00 0.00 25 W 9.24 5.27 0.00 3.31 2.92 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 26 P 0.00 4.69 0.00 1.89 1.87 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.17 0.00 27 E 8.53 3.81 0.00 1.53 1.12 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 1.90 1.87 0.00 28 Y 7.38 4.39 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 29 K 7.52 4.73 0.00 1.39 1.79 0.00 0.83 0.00 0.00 1.22 0.00 0.00 2.76 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.29 1.19 7.81 30 E 8.76 4.28 0.00 2.02 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 2.33 2.37 0.00 31 I 8.14 3.13 1.75 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 1.17 0.65 0.57 0.00 0.00 32 P 0.00 4.20 0.00 1.89 1.80 0.00 2.38 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.52 0.00 33 Q 8.51 4.24 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 34 G 8.63 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 35 W 7.91 5.17 0.00 2.90 3.05 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 36 R 8.70 4.86 0.00 1.87 1.98 0.00 2.77 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 37 A 8.61 4.91 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 38 A 9.38 4.54 1.29 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 0.00 0.00 0.00 39 G 8.91 3.37 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 0.00 40 K 7.64 4.54 0.00 1.67 1.48 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 41 S 8.83 5.09 0.00 3.87 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 42 G 8.04 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 43 L 7.91 4.75 0.00 1.98 1.72 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.80 3.88 0.00 1.59 1.81 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.19 7.81 45 K 8.13 4.16 0.00 2.09 2.08 0.00 1.49 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.64 7.81 46 D 8.01 4.41 0.00 2.98 2.80 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 0.00 0.00 0.00 47 C 8.00 4.28 0.00 3.17 3.03 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 48 L 8.48 3.98 0.00 1.79 1.72 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.13 3.99 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 50 Y 8.05 4.01 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 51 I 7.74 3.56 1.95 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.99 0.00 0.00 52 E 7.79 4.03 0.00 2.11 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 2.29 2.36 0.00 53 E 7.43 3.92 0.00 1.73 1.82 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 2.53 2.28 0.00 54 V 7.42 4.32 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 0.57 0.00 0.00 -0.01 0.00 0.00 55 W 7.65 4.69 0.00 3.15 2.91 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 56 T 6.69 4.53 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 0.92 0.00 0.00 57 D 8.45 4.52 0.00 2.61 2.59 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 58 M 8.13 4.22 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 59 R 7.36 4.42 0.00 1.69 1.71 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 60 P 0.00 4.54 0.00 2.24 2.20 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 61 L 8.09 4.22 0.00 1.85 1.91 0.92 0.68 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 62 S 8.02 4.25 0.00 3.96 4.10 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 0.00 0.00 0.00 0.00 63 L 7.83 3.53 0.00 1.92 1.91 0.89 0.86 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 64 R 8.02 4.01 0.00 2.06 2.20 0.00 2.74 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 65 Q 7.92 4.36 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 66 H 7.98 4.57 0.00 3.27 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.47 4.25 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 68 D 8.05 4.47 0.00 2.65 2.78 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 69 K 8.72 4.58 0.00 1.76 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.53 7.81 70 A 7.65 4.49 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 71 A 8.94 3.94 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 72 G 7.61 3.75 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 0.00 0.00 0.00