NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5161 8.1627 118.3263 55.5602 33.7353 173.1543 2 Q 4.7906 8.0148 117.9973 52.9562 32.7482 171.7071 3 I 4.4191 9.4618 119.5823 59.0746 42.4477 173.0848 4 F 5.4853 8.5548 120.6536 55.7207 41.6897 175.0736 5 V 4.8183 9.3385 123.1425 60.9257 34.3835 174.0013 6 K 5.0029 8.9317 129.2104 54.6343 34.8056 176.1277 7 T 4.6726 8.4900 118.1386 61.0423 69.8311 174.6624 8 L 4.2023 8.4105 121.4834 57.7777 41.9763 178.6538 9 T 3.9591 8.1655 107.9935 64.9817 68.4161 173.3508 10 G 3.4182 7.6666 114.3528 45.0249 0.0000 173.8393 11 K 3.7671 7.5170 122.4454 57.6290 32.8027 176.0694 12 T 5.1333 8.5150 123.2367 62.2355 71.1703 174.0965 13 I 4.7011 8.6927 124.0127 60.1559 41.5302 174.3394 14 T 5.0245 8.7017 123.2889 62.3253 70.0407 174.0995 15 L 4.7979 9.0006 125.6353 52.8419 45.4190 174.9359 16 E 4.8250 8.6986 123.6156 54.9935 30.6381 175.2220 17 V 4.7194 8.8649 119.5304 59.9046 36.4215 174.4342 18 E 4.7840 9.1362 120.9490 54.0378 32.3527 176.0580 19 P 4.3777 0.0000 0.0000 64.5934 31.6507 178.5142 20 S 4.3332 7.8384 111.9636 59.8257 63.9952 174.5192 21 D 4.3906 7.9217 122.8185 54.5713 41.2374 176.3648 22 T 4.7469 8.2361 114.0971 61.0537 71.4888 175.8981 23 I 3.7616 8.4418 122.3598 64.3740 36.9590 178.8246 24 E 3.9743 8.1127 119.3222 59.4140 29.4151 178.5252 25 N 4.2926 7.9387 116.3670 56.4372 38.5674 177.6361 26 V 3.5809 7.5628 118.8180 65.9218 31.7394 178.1707 27 K 4.2759 8.4219 119.3467 58.8453 31.9522 179.1514 28 A 3.9968 8.1437 120.9813 55.1565 18.4522 179.8940 29 K 3.9889 7.8435 116.5285 59.4899 32.0408 179.6743 30 I 3.8409 7.8358 120.3589 64.1123 37.0502 178.0186 31 Q 4.3563 8.1692 121.8096 58.5969 28.5110 178.2589 32 D 4.3198 7.7647 118.9985 57.3738 41.1455 178.6060 33 K 4.2928 7.8043 116.6018 58.3435 31.9414 178.1520 34 E 4.5488 8.2940 116.1595 55.6602 32.5729 175.6714 35 G 4.0486 8.2319 106.1512 46.2527 0.0000 173.6053 36 I 4.2086 7.1205 118.8207 59.0390 38.3388 173.7718 37 P 4.4119 0.0000 0.0000 61.7358 31.5845 175.7310 38 P 4.1738 0.0000 0.0000 64.6629 31.4730 177.6095 39 D 4.3487 7.9303 116.5859 54.9200 40.0947 177.2595 40 Q 4.2496 8.6941 119.1737 57.0149 29.4634 175.2088 41 Q 4.6416 7.4445 118.3394 55.3629 30.2919 175.2289 42 R 4.6809 9.1797 123.1198 54.4400 33.1678 174.7164 43 L 4.9830 8.4449 124.2625 53.8467 43.9827 175.9973 44 I 5.0277 8.5850 122.4167 59.6194 41.5851 173.9536 45 F 5.0065 9.4985 128.7872 56.5777 41.9813 174.8400 46 A 3.4234 9.0423 130.4366 53.0676 15.6082 177.3089 47 G 3.9255 7.8455 107.4800 45.1492 0.0000 172.7033 48 K 4.4877 7.7290 121.5380 54.5280 33.8399 174.5650 49 Q 4.6672 8.4150 126.8284 55.4755 29.9644 174.9964 50 L 3.8903 8.5243 127.5042 54.4255 42.6285 176.1133 51 E 4.4967 9.3448 125.8557 54.8625 31.2398 175.4939 52 D 4.4662 8.6792 126.5128 56.1211 41.3940 176.9276 53 G 3.9659 8.6997 111.3983 45.1993 0.0000 173.2926 54 R 4.5869 7.5513 117.5722 54.6192 32.6595 175.0801 55 T 5.0930 8.1894 109.3640 59.7535 71.3919 175.7605 56 L 4.0027 8.4347 121.6606 58.1234 41.4704 180.1186 57 S 4.0936 7.9475 113.5226 61.6176 62.5461 176.1605 58 D 4.4335 7.7151 121.1905 56.3427 40.8127 177.1595 59 Y 4.5299 8.0203 115.5875 56.3112 38.7931 174.9973 60 N 4.4169 8.3371 117.8301 54.4799 37.9427 174.0491 61 I 3.7009 7.0089 115.4383 60.3101 37.8385 175.7790 62 Q 4.6683 8.0958 124.2353 52.9200 31.7862 174.9408 63 K 4.1126 8.2746 117.6451 58.8207 32.5889 176.9000 64 E 3.3158 8.9499 119.7422 56.7208 27.8736 174.8757 65 S 4.5938 7.7533 115.7852 58.9702 64.4339 173.1788 66 T 5.1796 8.6645 117.5504 62.0556 70.8656 173.6216 67 L 5.1002 8.9648 126.3261 53.4650 44.9673 175.1076 68 H 5.2732 9.1569 119.1110 54.1623 31.5178 173.4566 69 L 4.9152 8.8207 125.1619 53.7589 43.0220 175.7908 70 V 4.5142 8.7979 126.5014 61.0903 34.8701 175.7393 71 L 5.4132 8.0929 122.2865 54.0802 42.4232 176.6689 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 8.16 4.52 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.01 4.79 0.00 2.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.00 2.33 0.00 3 I 9.46 4.42 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 0.73 0.00 0.00 4 F 8.55 5.49 0.00 2.99 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 5 V 9.34 4.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 6 K 8.93 5.00 0.00 1.70 1.43 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 7 T 8.49 4.67 4.26 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 0.00 0.00 0.00 1.26 0.00 0.00 8 L 8.41 4.20 0.00 1.67 1.77 0.92 0.84 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 9 T 8.17 3.96 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 1.22 0.00 0.00 10 G 7.67 3.42 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 0.00 11 K 7.52 3.77 0.00 1.87 1.75 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 12 T 8.52 5.13 4.21 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 1.20 0.00 0.00 13 I 8.69 4.70 1.99 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 1.38 0.99 0.93 0.00 0.00 14 T 8.70 5.02 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 15 L 9.00 4.80 0.00 1.51 1.46 0.92 0.66 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 16 E 8.70 4.82 0.00 1.92 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 2.19 2.43 0.00 17 V 8.86 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.14 4.78 0.00 1.82 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 2.20 2.38 0.00 19 P 0.00 4.38 0.00 2.15 2.06 0.00 3.56 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 2.08 2.03 0.00 20 S 7.84 4.33 0.00 3.96 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 21 D 7.92 4.39 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.75 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 1.22 0.00 0.00 23 I 8.44 3.76 1.89 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 1.84 1.13 0.89 0.00 0.00 24 E 8.11 3.97 0.00 2.06 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 2.46 0.00 25 N 7.94 4.29 0.00 3.00 2.87 0.00 0.00 6.70 8.99 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 26 V 7.56 3.58 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.42 4.28 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.49 7.81 28 A 8.14 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.99 0.00 1.94 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.81 7.81 30 I 7.84 3.84 2.15 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 1.41 0.95 0.91 0.00 0.00 31 Q 8.17 4.36 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 7.76 4.32 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.29 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 34 E 8.29 4.55 0.00 2.06 1.87 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 2.23 2.40 0.00 35 G 8.23 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 0.00 0.00 0.00 36 I 7.12 4.21 1.87 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 1.30 0.84 0.96 0.00 0.00 37 P 0.00 4.41 0.00 2.39 1.98 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.17 0.00 2.17 2.10 0.00 3.58 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 7.93 4.35 0.00 2.78 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 40 Q 8.69 4.25 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.44 4.64 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 42 R 9.18 4.68 0.00 1.65 1.81 0.00 3.42 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.44 4.98 0.00 1.55 1.53 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.59 5.03 1.91 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 1.11 0.86 0.98 0.00 0.00 45 F 9.50 5.01 0.00 2.91 2.77 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 46 A 9.04 3.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 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 0.00 0.00 0.00 48 K 7.73 4.49 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 49 Q 8.42 4.67 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 50 L 8.52 3.89 0.00 1.41 1.28 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.34 4.50 0.00 2.14 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 2.33 2.34 0.00 52 D 8.68 4.47 0.00 2.73 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 53 G 8.70 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 54 R 7.55 4.59 0.00 2.15 1.97 0.00 2.99 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 55 T 8.19 5.09 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.43 4.00 0.00 1.84 1.68 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.95 4.09 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.43 0.00 2.64 2.43 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 59 Y 8.02 4.53 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.42 0.00 2.86 2.99 0.00 0.00 7.14 7.59 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 61 I 7.01 3.70 1.60 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.49 0.00 0.00 62 Q 8.10 4.67 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 63 K 8.27 4.11 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 8.95 3.32 0.00 2.15 2.34 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 2.25 2.25 0.00 65 S 7.75 4.59 0.00 3.76 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 66 T 8.66 5.18 4.37 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 1.23 0.00 0.00 67 L 8.96 5.10 0.00 1.60 1.59 0.85 0.84 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 68 H 9.16 5.27 0.00 3.13 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 4.92 0.00 1.59 1.59 0.93 0.95 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 70 V 8.80 4.51 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 0.94 0.00 0.00 0.94 0.00 0.00 71 L 8.09 5.41 0.00 1.60 1.49 0.93 0.94 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