NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3216 8.1849 120.6287 54.8116 43.1750 177.2522 2 Q 4.1085 8.3470 121.8350 54.4493 27.2062 173.8272 3 S 4.8018 7.8094 116.9677 56.5138 66.9163 172.5135 4 R 4.5035 8.2865 120.6769 54.3013 31.8644 173.4733 5 P 4.5772 0.0000 0.0000 62.1452 32.3323 175.6729 6 E 4.0575 8.9113 123.6242 58.3011 29.8291 175.4854 7 P 4.6987 0.0000 0.0000 61.9030 33.0055 174.8313 8 T 4.4487 7.5975 113.4834 62.4631 71.9105 169.9736 9 A 3.6524 7.9603 135.0000 51.6980 18.8616 176.1885 10 P 4.0175 0.0000 0.0000 62.2769 29.2763 174.4625 11 P 4.6546 0.0000 0.0000 61.6021 30.5779 176.2812 12 E 4.5429 7.6266 112.1950 56.8970 30.8461 175.3592 13 E 4.6135 8.1761 117.5002 55.8859 29.5953 176.5087 14 S 4.4922 7.9720 112.1401 59.7240 62.9101 174.7421 15 F 4.2290 8.3515 113.0960 57.9287 38.2788 176.0287 16 R 4.3920 7.4686 119.8140 56.2750 30.8749 176.6245 17 F 4.6630 8.3096 119.7772 59.7603 41.7038 176.9169 18 G 3.6153 7.8934 106.8477 46.8215 0.0000 174.4192 19 E 4.0382 7.9521 118.8627 57.2658 29.7601 176.1478 20 E 4.4839 7.6317 117.0545 57.0643 29.8909 175.6458 21 T 4.3123 7.4750 113.9950 64.9321 69.0413 174.5252 22 T 3.4435 7.8404 110.4175 63.4829 66.1284 173.3174 23 T 3.9850 7.8972 117.3100 65.8187 69.0867 173.7772 24 P 4.3576 0.0000 0.0000 62.4418 31.9677 175.4606 25 S 4.6880 8.2461 117.2931 55.7358 64.4165 173.1413 26 Q 3.8431 8.5339 126.3364 57.1499 29.0583 175.4063 27 K 3.6422 9.1195 128.5521 56.0984 31.6484 175.1219 28 Q 3.3425 8.5174 122.9192 55.7084 28.9996 172.8898 29 E 4.5378 8.4428 118.1144 54.2145 30.3060 173.5971 30 P 4.8790 0.0000 0.0000 62.6487 31.8371 176.3110 31 I 4.6394 7.6086 118.2508 61.7066 37.6758 175.3931 32 D 5.1699 8.0214 116.3087 53.2745 40.0535 175.8033 33 K 4.4000 8.4123 117.1774 59.1797 34.6958 177.5202 34 E 4.5232 8.1891 113.9441 56.7041 29.9514 176.2783 35 L 4.9311 7.6488 118.6792 54.9015 43.4239 176.4149 36 Y 4.4058 8.2193 119.1899 58.5212 40.8150 175.4985 37 P 4.4451 0.0000 0.0000 64.6690 31.5163 178.3781 38 L 4.0948 7.9976 118.0657 57.8576 41.6481 178.9501 39 A 3.7379 7.8813 120.0403 55.1113 18.2638 179.1475 40 S 4.1561 8.3442 111.4750 60.5799 61.7763 175.5202 41 L 4.2051 8.5674 122.9102 56.5763 41.5615 177.6776 42 R 3.6188 6.9700 116.3535 55.7462 30.5876 175.6774 43 S 4.5867 7.2869 113.1722 59.8790 64.0079 175.9676 44 L 4.3588 7.9631 118.1545 57.2673 40.3793 178.0231 45 F 4.3880 8.0984 111.7334 59.3299 37.9875 175.5153 46 G 3.8381 8.2022 111.1123 45.1161 0.0000 174.0384 47 S 4.5326 7.6736 109.9595 57.3658 63.2146 174.1978 48 D 4.6098 7.9458 122.4032 52.5399 40.6479 172.5689 49 P 4.2372 0.0000 0.0000 62.2189 31.2132 177.4145 50 S 4.2830 8.4718 119.1520 58.4274 60.1446 172.2231 51 S 4.4670 7.9387 118.5009 55.7014 62.6712 173.5546 52 Q 4.1852 8.3121 125.1311 55.5936 28.8241 175.2196 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 L 8.18 4.32 0.00 1.66 1.67 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.35 4.11 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 3 S 7.81 4.80 0.00 3.84 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 4 R 8.29 4.50 0.00 1.69 1.77 0.00 3.27 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 5 P 0.00 4.58 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 6 E 8.91 4.06 0.00 1.97 2.03 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 2.29 2.29 0.00 7 P 0.00 4.70 0.00 2.13 2.05 0.00 3.43 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 8 T 7.60 4.45 4.23 0.00 0.00 0.00 0.00 0.00 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 9 A 7.96 3.65 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 10 P 0.00 4.02 0.00 2.05 1.94 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 11 P 0.00 4.65 0.00 2.13 2.07 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 12 E 7.63 4.54 0.00 1.72 1.77 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 1.47 1.47 0.00 13 E 8.18 4.61 0.00 2.11 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 2.33 2.39 0.00 14 S 7.97 4.49 0.00 3.87 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 15 F 8.35 4.23 0.00 3.24 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 16 R 7.47 4.39 0.00 1.93 1.90 0.00 3.38 0.00 0.00 3.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 17 F 8.31 4.66 0.00 2.99 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 18 G 7.89 3.62 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 0.00 0.00 0.00 19 E 7.95 4.04 0.00 1.68 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 2.15 2.25 0.00 20 E 7.63 4.48 0.00 1.83 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 2.13 2.17 0.00 21 T 7.48 4.31 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 T 7.84 3.44 4.20 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 1.17 0.00 0.00 23 T 7.90 3.98 4.20 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 1.18 0.00 0.00 24 P 0.00 4.36 0.00 2.15 2.04 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 25 S 8.25 4.69 0.00 3.82 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 26 Q 8.53 3.84 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.99 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 27 K 9.12 3.64 0.00 1.94 1.78 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 28 Q 8.52 3.34 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 29 E 8.44 4.54 0.00 1.96 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 2.19 2.25 0.00 30 P 0.00 4.88 0.00 2.15 2.12 0.00 3.46 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 31 I 7.61 4.64 1.88 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 1.46 0.53 0.91 0.00 0.00 32 D 8.02 5.17 0.00 3.13 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 33 K 8.41 4.40 0.00 1.72 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 E 8.19 4.52 0.00 1.96 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 2.27 2.27 0.00 35 L 7.65 4.93 0.00 1.74 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.22 4.41 0.00 2.92 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 37 P 0.00 4.45 0.00 2.10 2.13 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 38 L 8.00 4.09 0.00 1.68 1.70 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.88 3.74 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.16 0.00 4.19 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 41 L 8.57 4.21 0.00 1.78 1.81 0.94 1.03 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 42 R 6.97 3.62 0.00 1.47 1.15 0.00 3.11 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 43 S 7.29 4.59 0.00 3.77 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 44 L 7.96 4.36 0.00 1.85 1.84 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.10 4.39 0.00 3.19 3.39 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 0.00 0.00 0.00 0.00 46 G 8.20 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 0.00 0.00 0.00 47 S 7.67 4.53 0.00 3.94 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 48 D 7.95 4.61 0.00 2.58 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 49 P 0.00 4.24 0.00 2.21 2.07 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 50 S 8.47 4.28 0.00 3.83 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 51 S 7.94 4.47 0.00 3.80 3.70 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 52 Q 8.31 4.19 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00