NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9646 8.3393 109.7362 45.4800 0.0000 172.7095 0 S 4.6799 8.2021 119.5786 54.2264 67.2306 174.3973 1 S 4.1184 8.2144 116.3072 56.9373 63.8305 177.4260 2 G 3.3431 5.4948 105.5986 45.4591 0.0000 169.8431 3 V 5.0775 8.2866 120.0152 61.3166 34.3163 176.5097 4 R 4.8127 9.6268 126.2271 54.4673 33.5785 174.7327 5 L 5.5859 7.5749 119.4073 53.2330 45.8821 175.7837 6 W 5.1312 8.9201 118.6937 55.2420 33.7524 176.0738 7 A 4.2642 8.9933 124.0282 54.7768 19.1744 177.7254 8 T 4.8867 7.7622 103.2497 58.8035 72.4271 174.6092 9 R 3.7076 8.4207 121.8744 59.8211 30.0255 178.6106 10 Q 3.8343 8.0096 118.3395 59.1265 28.8826 177.9057 11 A 3.9614 7.5123 120.5200 55.2119 18.7381 178.8475 12 M 2.5500 7.6201 116.6092 58.3332 32.2722 178.5528 13 L 3.8140 7.7795 119.1524 57.5102 41.4912 179.7032 14 G 3.6856 7.7558 104.5581 46.5988 0.0000 174.0547 15 Q 5.1220 7.8099 117.2795 54.3644 30.5520 177.7501 16 V 3.3812 7.1387 118.4219 64.6097 31.6050 178.1234 17 H 4.0375 8.2689 116.8700 58.8757 28.7582 176.2209 18 E 4.1021 8.2142 117.8105 57.8760 29.6497 176.7977 19 V 3.8574 7.4153 119.8333 61.5594 32.1523 174.1385 20 P 4.5695 0.0000 0.0000 61.8840 32.2779 175.6864 21 E 4.2374 8.6221 120.0445 58.2761 29.8733 178.4262 22 G 4.0786 9.2838 111.7789 44.9204 0.0000 173.9457 23 W 4.4473 8.0086 120.4404 56.5484 30.4775 175.7137 24 L 5.0753 9.0887 124.3099 54.2198 43.3671 175.7641 25 I 5.3774 9.4475 123.1039 59.6952 40.5990 174.2582 26 F 5.5769 9.7275 129.3141 56.4699 42.8745 174.3031 27 V 4.6288 7.3788 117.4926 59.4690 34.0424 176.4099 28 A 3.8677 8.8293 129.8388 55.2715 18.6194 178.0519 29 E 4.0660 8.0831 115.4224 59.6201 29.5218 178.1504 30 Q 4.2021 7.9382 113.7055 55.6959 29.4239 175.3498 31 E 3.8220 7.5079 116.7241 57.6596 27.9405 174.0651 32 E 4.7725 7.5884 115.5331 54.4172 33.3593 175.4919 33 L 5.4889 8.0294 123.4146 53.7337 45.5915 174.7101 34 Y 5.4808 9.7419 122.6366 56.3374 43.2802 174.1927 35 V 4.9516 9.0769 120.3860 59.7657 34.3638 175.0173 36 R 4.4377 9.5149 126.6912 56.7001 31.1227 175.7312 37 V 4.7643 8.6454 119.3291 58.9508 36.1847 174.4980 38 Q 4.4432 8.6400 121.8172 57.2802 28.9137 175.1739 39 N 4.2840 9.0037 122.4638 53.1449 38.1984 174.7264 40 G 4.0808 6.9806 103.1220 45.9407 0.0000 172.0595 41 F 5.4070 7.7920 114.7647 55.6884 40.8307 173.4282 42 R 4.7349 8.8701 121.7343 54.1929 32.6000 175.4138 43 K 4.4197 8.8060 125.2986 56.3426 33.1025 176.1836 44 V 4.0264 8.5152 127.8464 62.1194 32.5048 175.6178 45 Q 4.1107 8.6937 127.1161 55.7680 28.9146 175.4715 46 L 4.7213 8.2841 122.2438 53.0103 44.6661 175.3123 47 E 4.5518 8.1899 119.3859 54.3160 31.8606 175.8116 48 A 4.1347 8.1932 122.0532 52.0197 18.9102 177.5099 49 R 3.9602 8.4474 121.3670 56.7883 30.6182 176.1371 50 T 4.4271 8.2754 122.0918 61.6462 69.7548 173.1625 51 P 4.4979 0.0000 0.0000 62.1452 32.1692 175.9838 52 L 4.2762 8.1530 120.4926 53.4994 42.4915 175.6263 53 P 4.4108 0.0000 0.0000 63.2483 31.2523 176.1163 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 G 8.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.20 4.68 0.00 3.89 3.74 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 1 S 8.21 4.12 0.00 2.72 2.75 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 2 G 5.49 3.34 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 0.00 3 V 8.29 5.08 2.13 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 0.96 0.00 0.00 0.93 0.00 0.00 4 R 9.63 4.81 0.00 1.96 1.16 0.00 3.13 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 5 L 7.57 5.59 0.00 1.39 1.68 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.92 5.13 0.00 3.26 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 7 A 8.99 4.26 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 8 T 7.76 4.89 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 1.23 0.00 0.00 9 R 8.42 3.71 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 Q 8.01 3.83 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 11 A 7.51 3.96 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 12 M 7.62 2.55 0.00 1.70 1.53 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.06 0.00 13 L 7.78 3.81 0.00 1.73 1.58 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 5.12 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 16 V 7.14 3.38 1.58 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 0.62 0.00 0.00 0.46 0.00 0.00 17 H 8.27 4.04 0.00 3.09 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.21 4.10 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 19 V 7.42 3.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 20 P 0.00 4.57 0.00 2.56 2.06 0.00 2.91 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 21 E 8.62 4.24 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 22 G 9.28 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.01 4.45 0.00 3.51 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 5.08 0.00 1.72 1.72 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.45 5.38 2.05 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.86 0.00 0.00 26 F 9.73 5.58 0.00 3.23 3.02 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 27 V 7.38 4.63 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 0.60 0.00 0.00 0.97 0.00 0.00 28 A 8.83 3.87 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 29 E 8.08 4.07 0.00 2.05 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 2.33 2.34 0.00 30 Q 7.94 4.20 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 31 E 7.51 3.82 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 32 E 7.59 4.77 0.00 1.92 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 33 L 8.03 5.49 0.00 1.92 1.48 1.19 0.88 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 34 Y 9.74 5.48 0.00 2.87 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 35 V 9.08 4.95 2.19 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 0.79 0.00 0.00 1.08 0.00 0.00 36 R 9.51 4.44 0.00 2.05 2.20 0.00 3.43 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 37 V 8.65 4.76 2.13 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 1.07 0.00 0.00 1.00 0.00 0.00 38 Q 8.64 4.44 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 39 N 9.00 4.28 0.00 2.87 2.85 0.00 0.00 7.06 7.98 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 40 G 6.98 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.79 5.41 0.00 3.26 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 42 R 8.87 4.73 0.00 1.84 1.90 0.00 3.15 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 43 K 8.81 4.42 0.00 1.90 1.72 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.88 7.81 44 V 8.52 4.03 2.14 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 0.80 0.00 0.00 0.97 0.00 0.00 45 Q 8.69 4.11 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 46 L 8.28 4.72 0.00 1.60 1.57 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.19 4.55 0.00 1.94 1.90 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 2.23 2.28 0.00 48 A 8.19 4.13 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 49 R 8.45 3.96 0.00 1.81 1.88 0.00 3.25 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 1.63 1.68 0.00 50 T 8.28 4.43 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 51 P 0.00 4.50 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 52 L 8.15 4.28 0.00 1.64 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.41 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00