NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3464 8.3044 120.3491 54.9344 32.8608 174.6548 2 K 3.8533 8.5724 128.7030 54.8407 32.5481 173.9823 3 P 4.3572 0.0000 0.0000 62.2150 31.5004 176.0409 4 V 3.9151 8.1929 123.3738 63.0294 32.4052 174.7145 5 T 5.0308 9.0845 113.8747 58.7279 72.1259 174.8474 6 L 3.5003 8.0736 121.3273 58.5772 40.1704 178.8329 7 Y 4.2490 7.3064 118.0501 60.9476 37.7402 177.9263 8 D 4.3863 8.0319 119.9064 57.2825 40.9316 178.9350 9 V 3.5946 7.5487 117.9383 65.9425 31.5946 177.6928 10 A 3.9526 8.3100 120.8950 55.1019 17.9259 179.0869 11 E 3.9096 8.2916 117.8001 59.6927 29.5073 178.4636 12 Y 4.3551 7.9353 117.8684 60.8499 38.9908 177.6149 13 A 3.8535 8.1698 120.9409 52.8518 18.5821 177.7120 14 G 3.7527 8.1386 103.4242 46.4459 0.0000 173.0324 15 V 4.5173 7.5854 112.0528 58.8901 36.0270 175.3898 16 S 4.4181 8.2669 114.8472 57.8787 63.5716 174.8009 17 Y 4.2200 8.6988 121.5358 59.5084 38.0450 177.7552 18 Q 4.0583 7.4564 121.0532 58.9203 29.0301 176.9500 19 T 3.9020 7.6204 116.7469 67.1543 68.0221 176.4977 20 V 3.4084 7.6486 113.0141 63.7118 31.8530 178.1654 21 S 3.9995 8.4838 113.4994 60.9133 62.2853 176.1434 22 R 4.0950 7.6016 120.3661 58.6529 29.5747 178.9553 23 V 3.8226 7.1273 111.2161 63.5859 31.7796 178.1860 24 V 3.8207 7.3537 116.1298 64.6072 31.3952 176.4801 25 N 4.8248 8.0183 113.4193 55.2426 40.1222 174.2750 26 Q 4.3231 8.2722 114.2331 52.8565 32.1894 175.5690 27 A 4.1593 8.6037 123.2636 52.7320 18.2869 178.3768 28 S 4.4502 8.0723 114.4487 60.6778 64.5441 173.9601 29 H 3.9839 9.0439 118.6109 56.2582 25.0892 175.0202 30 V 4.4711 7.1539 116.3621 60.5750 35.2697 174.1078 31 S 4.6229 8.4204 121.5023 57.1529 65.3259 175.1806 32 A 3.9820 8.5795 127.3512 55.4527 18.0444 180.0741 33 K 3.8250 7.9874 117.2724 60.1410 32.4500 179.0340 34 T 3.9007 7.8024 115.4513 66.3200 68.3315 176.7285 35 R 3.8568 8.0104 120.7608 59.5139 30.1231 178.3563 36 E 3.9314 8.4024 118.7226 59.2557 29.3124 179.1916 37 K 3.7952 7.8327 119.2293 59.4572 32.0692 178.9988 38 V 3.5230 7.5246 117.9318 66.0979 31.3769 177.9276 39 E 3.9810 8.3846 118.2045 59.4425 29.4611 179.2713 40 A 4.0198 8.3341 120.8035 55.0456 18.2681 179.5635 41 A 4.2741 7.9272 119.5213 55.2804 18.3795 179.6039 42 M 4.1704 8.0559 115.5090 58.0759 31.5495 178.7013 43 A 4.0750 7.8836 122.2422 54.7099 18.5052 179.1612 44 E 3.9240 8.0126 117.0706 59.4123 29.7979 177.9955 45 L 4.0907 7.6978 116.2151 55.0781 42.2509 176.2335 46 N 4.1864 7.6029 114.8731 54.2543 36.6405 173.9357 47 Y 4.3523 8.2595 119.1656 56.8502 40.0080 173.4521 48 I 4.1594 7.6390 126.9978 57.7236 39.5748 173.1064 49 P 4.2060 0.0000 0.0000 62.3803 31.2223 176.1593 50 N 4.5034 8.6746 121.9396 52.6852 39.1640 175.1256 51 R 4.7057 8.3199 130.2628 58.6014 29.9631 177.7226 52 C 4.0763 8.3485 116.8514 62.9559 28.1271 175.8086 53 A 4.2006 8.1003 121.3926 54.6860 18.1615 179.4131 54 Q 3.9712 7.7264 117.0845 59.2479 28.7334 178.7281 55 Q 4.2223 8.0649 117.9133 57.6294 28.9836 177.9868 56 L 3.9748 7.4811 120.5053 57.8514 41.8494 178.4347 57 A 4.1190 7.4474 115.7848 52.6474 18.6386 177.2263 58 G 4.2920 7.7879 108.1612 46.6108 0.0000 174.9221 59 K 4.4427 8.1330 115.6404 53.7418 35.8816 177.0568 60 Q 3.7407 8.8284 118.5493 57.4458 26.1155 174.8584 61 S 4.4374 7.9234 115.4691 57.5073 61.5979 174.2333 62 L 4.3199 7.9983 125.5935 54.9129 42.1798 176.1478 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 4.35 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.57 3.85 0.00 1.85 1.72 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.54 7.81 3 P 0.00 4.36 0.00 2.12 2.05 0.00 3.76 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 2.04 2.08 0.00 4 V 8.19 3.92 2.39 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 0.88 0.00 0.00 1.09 0.00 0.00 5 T 9.08 5.03 4.36 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 1.40 0.00 0.00 6 L 8.07 3.50 0.00 1.68 1.71 0.25 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.31 4.25 0.00 3.00 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 8 D 8.03 4.39 0.00 2.95 2.74 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 0.00 0.00 0.00 9 V 7.55 3.59 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 1.06 0.00 0.00 0.57 0.00 0.00 10 A 8.31 3.95 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 11 E 8.29 3.91 0.00 2.22 2.24 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 2.38 2.38 0.00 12 Y 7.94 4.36 0.00 2.97 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 13 A 8.17 3.85 1.35 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 0.00 0.00 0.00 14 G 8.14 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 15 V 7.59 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 16 S 8.27 4.42 0.00 3.77 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 17 Y 8.70 4.22 0.00 2.88 3.25 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 0.00 18 Q 7.46 4.06 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 19 T 7.62 3.90 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 1.17 0.00 0.00 20 V 7.65 3.41 1.98 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 0.88 0.00 0.00 0.90 0.00 0.00 21 S 8.48 4.00 0.00 3.83 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 22 R 7.60 4.09 0.00 1.78 1.95 0.00 3.15 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 1.62 1.63 0.00 23 V 7.13 3.82 2.09 0.00 0.00 0.00 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 1.00 0.00 0.00 24 V 7.35 3.82 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 0.87 0.00 0.00 1.12 0.00 0.00 25 N 8.02 4.82 0.00 2.71 2.82 0.00 0.00 6.92 7.71 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 26 Q 8.27 4.32 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.24 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 27 A 8.60 4.16 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 28 S 8.07 4.45 0.00 3.85 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 29 H 9.04 3.98 0.00 3.24 3.38 0.00 5.88 0.00 0.00 0.00 0.00 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.15 4.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 31 S 8.42 4.62 0.00 3.88 3.73 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 0.00 0.00 0.00 32 A 8.58 3.98 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 33 K 7.99 3.82 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 34 T 7.80 3.90 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 1.18 0.00 0.00 35 R 8.01 3.86 0.00 1.88 2.03 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 36 E 8.40 3.93 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 2.32 2.47 0.00 37 K 7.83 3.80 0.00 2.00 1.84 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 V 7.52 3.52 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 39 E 8.38 3.98 0.00 2.06 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 2.34 2.60 0.00 40 A 8.33 4.02 1.35 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 0.00 0.00 0.00 41 A 7.93 4.27 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 42 M 8.06 4.17 0.00 2.40 2.63 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 43 A 7.88 4.07 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 44 E 8.01 3.92 0.00 2.12 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 2.37 2.27 0.00 45 L 7.70 4.09 0.00 1.71 1.74 1.01 0.85 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 46 N 7.60 4.19 0.00 2.88 2.89 0.00 0.00 6.90 7.87 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 47 Y 8.26 4.35 0.00 3.05 2.99 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 0.00 0.00 0.00 48 I 7.64 4.16 1.72 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 1.30 0.89 0.80 0.00 0.00 49 P 0.00 4.21 0.00 2.16 2.08 0.00 3.11 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 50 N 8.67 4.50 0.00 2.80 2.81 0.00 0.00 6.86 7.67 0.00 0.00 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 R 8.32 4.71 0.00 1.95 1.90 0.00 3.27 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 52 C 8.35 4.08 0.00 3.33 2.98 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 53 A 8.10 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 3.97 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 55 Q 8.06 4.22 0.00 2.14 2.27 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 2.35 2.61 0.00 56 L 7.48 3.97 0.00 2.01 1.82 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.45 4.12 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 58 G 7.79 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 0.00 0.00 0.00 0.00 59 K 8.13 4.44 0.00 1.81 1.56 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 Q 8.83 3.74 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.31 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 61 S 7.92 4.44 0.00 3.86 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 62 L 8.00 4.32 0.00 1.52 1.46 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00