NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3321 8.2649 123.5827 51.9353 19.8821 176.6213 2 M 4.3226 7.1303 111.2909 56.0534 35.0623 173.6007 3 D 4.4067 8.7196 129.5373 55.1075 42.0184 177.0493 4 C 4.7600 8.7271 122.7860 57.4279 40.5968 171.5264 5 T 3.4479 7.7194 117.9451 64.0396 64.5097 171.1645 6 T 4.4136 8.5886 121.1646 61.7269 70.3610 176.5129 7 G 3.8209 7.9337 109.6365 45.1140 0.0000 170.2990 8 P 4.2887 0.0000 0.0000 65.6071 32.4499 177.9478 9 C 4.7027 7.6335 119.7046 54.7197 42.0981 171.8493 10 C 5.4392 7.4262 116.7621 55.3798 43.0670 175.9959 11 R 4.0493 8.9211 126.2382 55.8370 27.4965 174.5316 12 Q 3.9259 7.7824 122.4455 56.1727 28.0846 175.9609 13 C 5.0280 7.3912 115.5124 55.5688 41.2086 173.4608 14 K 5.0996 7.4087 114.8204 55.3359 36.2499 174.7909 15 L 4.4826 8.2778 120.5957 54.3536 42.1697 177.5518 16 K 4.1901 8.7971 126.0457 55.7011 33.4188 174.1725 17 P 4.6925 0.0000 0.0000 62.4324 32.5136 175.6048 18 A 4.1390 8.6171 124.9818 54.1664 18.6873 177.6827 19 G 4.0967 9.3326 110.2335 45.7881 0.0000 174.3074 20 T 4.1909 7.8151 116.9738 62.9448 68.5929 174.4167 21 T 4.2633 8.6931 117.0011 61.8486 69.2175 173.7832 22 C 4.7799 7.7286 116.8057 54.6323 43.2871 173.9849 23 W 4.7478 7.2777 123.9699 58.1725 31.6654 173.0400 24 R 4.5340 7.7787 114.8637 54.2856 31.2708 175.2392 25 T 4.5457 7.5134 115.0801 59.5130 71.4387 174.0415 26 S 4.0667 8.5968 114.2753 61.3459 62.3343 175.3300 27 V 4.4524 7.2522 118.8944 61.8917 32.1583 174.5533 28 S 4.3516 7.2679 110.3601 56.4256 65.2679 172.8013 29 S 4.7837 7.3317 113.5212 57.9807 63.3372 174.8244 30 H 5.3145 8.2697 126.5457 54.8348 32.6728 171.6425 31 Y 4.9505 8.3768 115.2855 57.0943 42.3136 175.7941 32 C 4.6472 9.0208 117.8473 56.6186 40.4426 174.5629 33 T 4.5019 8.5791 114.7388 61.1530 67.0771 174.8392 34 G 4.4565 8.1393 105.5628 46.3976 0.0000 174.4333 35 R 4.4658 7.6353 119.4173 56.7790 31.8217 176.0935 36 S 4.7598 7.5382 110.4785 56.8982 67.2662 174.7254 37 C 5.2165 8.5923 118.8054 59.2646 40.3617 174.2271 38 E 4.3039 7.8640 118.8300 55.6532 29.8035 176.9384 39 C 4.3861 8.4676 123.5840 55.4954 44.3845 171.5865 40 P 4.2404 0.0000 0.0000 62.7919 31.4925 175.3710 41 S 4.6692 7.7318 111.6165 57.7580 62.7755 173.2336 42 Y 4.9282 6.7509 114.5818 54.1647 40.6540 172.5387 43 P 4.3658 0.0000 0.0000 62.2977 32.3918 176.5984 44 G 3.8310 8.7022 106.7296 45.9943 0.0000 173.6990 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 A 8.26 4.33 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 2 M 7.13 4.32 0.00 2.04 1.93 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 2.49 2.62 0.00 3 D 8.72 4.41 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 4 C 8.73 4.76 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.45 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 6 T 8.59 4.41 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 7 G 7.93 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.29 0.00 2.20 2.19 0.00 3.74 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 1.98 1.93 0.00 9 C 7.63 4.70 0.00 3.08 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 10 C 7.43 5.44 0.00 2.93 3.18 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 0.00 0.00 0.00 0.00 11 R 8.92 4.05 0.00 1.80 1.84 0.00 3.21 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 1.63 1.61 0.00 12 Q 7.78 3.93 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.31 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 13 C 7.39 5.03 0.00 2.89 2.94 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 14 K 7.41 5.10 0.00 1.94 1.66 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.36 7.81 15 L 8.28 4.48 0.00 1.54 1.63 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.80 4.19 0.00 1.96 1.77 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.54 7.81 17 P 0.00 4.69 0.00 2.17 2.18 0.00 3.79 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 2.10 2.00 0.00 18 A 8.62 4.14 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 19 G 9.33 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 0.00 0.00 0.00 20 T 7.82 4.19 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 1.25 0.00 0.00 21 T 8.69 4.26 4.09 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 0.00 0.00 0.00 0.55 0.00 0.00 22 C 7.73 4.78 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.28 4.75 0.00 3.20 2.87 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 24 R 7.78 4.53 0.00 1.70 1.63 0.00 2.92 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 25 T 7.51 4.55 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 0.42 0.00 0.00 26 S 8.60 4.07 0.00 3.77 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 27 V 7.25 4.45 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 0.75 0.00 0.00 0.89 0.00 0.00 28 S 7.27 4.35 0.00 3.14 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.33 4.78 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.27 5.31 0.00 3.26 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.38 4.95 0.00 2.81 2.88 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 0.00 0.00 0.00 32 C 9.02 4.65 0.00 3.23 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 33 T 8.58 4.50 4.40 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 1.33 0.00 0.00 34 G 8.14 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 0.00 0.00 0.00 0.00 35 R 7.64 4.47 0.00 2.02 1.96 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 36 S 7.54 4.76 0.00 3.84 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.59 5.22 0.00 2.98 3.12 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 0.00 0.00 0.00 38 E 7.86 4.30 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 39 C 8.47 4.39 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.24 0.00 0.49 1.44 0.00 3.76 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 41 S 7.73 4.67 0.00 3.73 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 6.75 4.93 0.00 3.00 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 43 P 0.00 4.37 0.00 2.29 2.20 0.00 3.91 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 2.06 2.05 0.00 44 G 8.70 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00