NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9827 8.3549 109.7367 45.4575 0.0000 173.1595 0 S 4.6846 8.4860 119.5036 54.8961 67.4812 173.0232 1 S 4.0894 8.3569 117.8245 56.9010 63.8305 175.3183 2 G 3.2429 5.7456 105.0808 45.3532 0.0000 169.6366 3 V 5.0047 8.1952 119.1970 61.3209 34.3038 176.3973 4 R 4.8405 9.5211 127.0230 54.3234 32.8759 175.0296 5 L 5.5885 7.8754 121.0864 54.0239 43.9202 175.3981 6 W 5.1051 9.3184 118.6324 54.8638 33.3897 176.2986 7 A 4.2301 8.9902 123.8736 54.8506 19.1042 177.7408 8 T 5.0376 7.7772 103.1885 58.8647 72.4180 174.7967 9 R 3.7323 8.6990 121.7391 59.6260 30.0311 178.5220 10 Q 3.8851 8.0631 117.1583 58.9417 28.4996 178.6713 11 A 3.9482 7.6899 120.5156 55.3192 18.7710 179.0168 12 M 2.5500 7.5280 116.4869 58.2005 31.9682 178.4915 13 L 3.8200 7.6408 118.1836 57.4853 41.7494 179.4830 14 G 3.6943 7.5866 104.6883 46.7095 0.0000 174.6606 15 Q 4.6122 7.5773 117.5947 55.2780 29.9492 177.7707 16 V 3.4196 7.3648 121.4003 64.8747 31.2090 177.7911 17 H 4.0690 8.2152 115.7387 58.5992 28.6516 175.7489 18 E 4.2789 8.1146 116.1890 56.3323 29.6259 176.1970 19 V 3.8256 7.3815 120.3903 61.0372 32.3267 174.1952 20 P 4.5559 0.0000 0.0000 61.8290 32.1676 175.6240 21 E 4.1983 8.6375 119.8305 58.4006 29.7952 178.5732 22 G 4.1034 9.3801 111.3746 44.9508 0.0000 173.5457 23 W 4.5562 8.0452 120.4845 56.0875 30.6932 175.9391 24 L 5.0525 8.8895 123.5416 54.3899 43.3747 175.8720 25 I 5.4577 9.1181 121.8381 59.8176 41.1699 174.1021 26 F 5.5253 9.7757 129.4726 56.3683 42.7339 173.8929 27 V 4.6658 7.9827 125.6997 61.0783 32.8582 176.0906 28 A 3.8527 8.8427 132.3845 55.2704 18.6074 178.2191 29 E 4.0731 8.3014 115.7978 59.3143 29.6946 177.8590 30 Q 4.1625 7.9321 114.7257 55.8050 29.4997 175.1219 31 E 3.6933 7.3823 116.2065 57.7019 27.6878 174.0045 32 E 4.7307 7.4643 116.0053 54.4011 33.3917 175.7658 33 L 5.3523 7.9879 123.5750 53.6822 45.5590 174.6946 34 Y 5.4646 9.4880 122.7653 56.2491 43.0482 174.2695 35 V 4.9876 8.9684 120.2185 59.8650 34.5358 175.0402 36 R 4.5599 9.3984 125.6050 56.6322 31.4324 175.6392 37 V 4.8393 8.7600 118.4366 58.9146 36.6761 174.4997 38 Q 4.3825 8.7603 121.4072 57.3174 28.7879 175.3822 39 N 4.2259 8.9415 122.7470 53.4187 38.0533 174.2816 40 G 4.0121 7.0308 103.0887 45.8250 0.0000 172.2962 41 F 5.3519 7.8620 113.6593 55.4684 40.9052 173.4395 42 R 4.7710 9.0934 121.9167 54.1555 32.8039 175.3321 43 K 4.4074 8.9300 125.2207 56.4485 33.1617 175.9379 44 V 4.2191 8.4468 127.1998 61.5728 32.7825 175.5253 45 Q 4.1649 8.6789 127.1135 55.6632 29.1215 175.4279 46 L 4.7643 8.2943 122.3043 52.9807 44.6728 175.7606 47 E 4.4842 8.2605 120.0820 54.3319 31.7132 175.7341 48 A 4.1164 8.2414 122.0857 52.2134 18.8414 177.4856 49 R 3.9580 8.4238 120.9987 56.7289 30.6532 176.1291 50 T 4.4128 8.2886 122.0901 61.5258 69.6068 173.1733 51 P 4.4628 0.0000 0.0000 62.0577 32.1122 176.3343 52 L 4.1817 8.1568 120.5490 53.9460 42.2261 175.7441 53 P 4.4118 0.0000 0.0000 62.5498 32.0105 176.8671 54 R 4.1065 8.4033 118.4757 56.6976 29.9810 176.7735 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 8.35 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 0.00 0.00 0.00 0 S 8.49 4.68 0.00 3.86 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 1 S 8.36 4.09 0.00 2.72 2.84 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 2 G 5.75 3.24 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 0.00 3 V 8.20 5.00 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 0.95 0.00 0.00 0.92 0.00 0.00 4 R 9.52 4.84 0.00 1.88 1.07 0.00 3.16 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 5 L 7.88 5.59 0.00 2.06 1.81 0.83 1.05 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 6 W 9.32 5.11 0.00 3.22 2.93 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 7 A 8.99 4.23 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 7.78 5.04 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 8.70 3.73 0.00 1.87 1.92 0.00 3.21 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 Q 8.06 3.89 0.00 2.07 2.10 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 2.42 2.36 0.00 11 A 7.69 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 2.55 0.00 1.66 1.47 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.01 0.00 13 L 7.64 3.82 0.00 1.62 1.60 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.59 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 7.58 4.61 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 16 V 7.36 3.42 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.55 0.00 0.00 17 H 8.22 4.07 0.00 3.09 3.42 0.00 5.88 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.11 4.28 0.00 2.05 1.95 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 2.30 2.24 0.00 19 V 7.38 3.83 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 0.85 0.00 0.00 1.09 0.00 0.00 20 P 0.00 4.56 0.00 2.47 2.03 0.00 2.74 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 1.84 1.96 0.00 21 E 8.64 4.20 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 2.61 2.39 0.00 22 G 9.38 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 23 W 8.05 4.56 0.00 3.48 3.33 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 0.00 24 L 8.89 5.05 0.00 1.73 1.72 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.12 5.46 2.11 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.95 0.00 0.00 26 F 9.78 5.53 0.00 3.15 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 27 V 7.98 4.67 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 0.93 0.00 0.00 0.98 0.00 0.00 28 A 8.84 3.85 1.46 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 29 E 8.30 4.07 0.00 2.00 2.02 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 2.33 2.33 0.00 30 Q 7.93 4.16 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 31 E 7.38 3.69 0.00 2.17 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 0.00 2.46 2.34 0.00 32 E 7.46 4.73 0.00 1.92 1.51 0.00 0.00 0.00 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 2.46 0.00 33 L 7.99 5.35 0.00 1.91 1.47 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.49 5.46 0.00 2.96 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 35 V 8.97 4.99 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 0.98 0.00 0.00 1.07 0.00 0.00 36 R 9.40 4.56 0.00 2.07 2.14 0.00 3.45 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.76 0.00 37 V 8.76 4.84 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 0.88 0.00 0.00 0.99 0.00 0.00 38 Q 8.76 4.38 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 39 N 8.94 4.23 0.00 2.85 2.83 0.00 0.00 7.05 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 7.03 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 0.00 0.00 0.00 41 F 7.86 5.35 0.00 3.21 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 42 R 9.09 4.77 0.00 1.83 1.91 0.00 3.17 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 K 8.93 4.41 0.00 1.92 1.73 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.95 7.81 44 V 8.45 4.22 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 0.81 0.00 0.00 0.97 0.00 0.00 45 Q 8.68 4.16 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 46 L 8.29 4.76 0.00 1.60 1.56 0.98 0.97 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 8.26 4.48 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 48 A 8.24 4.12 1.25 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 0.00 0.00 49 R 8.42 3.96 0.00 1.81 1.87 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 50 T 8.29 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 51 P 0.00 4.46 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.81 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 8.16 4.18 0.00 1.63 1.60 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.41 0.00 2.03 1.98 0.00 3.67 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 2.02 2.10 0.00 54 R 8.40 4.11 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00