NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2458 8.0327 115.5014 62.5492 69.4424 170.8656 2 K 5.1215 7.9528 121.8510 53.5216 36.1518 170.5536 3 C 5.5440 9.7252 112.6250 54.4661 44.1278 175.0660 4 Y 4.3212 8.5563 113.0530 56.8132 38.3662 167.1105 5 V 4.1627 8.0923 109.5759 64.5204 34.0079 175.3689 6 T 3.7886 7.1594 121.1041 62.3254 67.1156 171.4895 7 P 4.6926 0.0000 0.0000 61.8007 32.2096 173.9082 8 D 4.7533 8.8962 123.4046 54.7720 47.3800 174.2669 9 A 5.0277 7.6267 123.1034 50.9201 21.2912 174.8389 10 T 4.6875 8.2724 105.8264 61.6198 71.2835 175.0220 11 S 4.9128 8.2954 114.3423 56.9682 63.5297 174.8479 12 Q 4.8153 7.6585 116.4189 54.6409 28.0621 174.4606 13 T 4.2499 7.4577 113.8914 61.6168 71.8437 170.5893 14 C 4.0257 8.6108 123.0303 56.0544 34.9972 170.8121 15 P 4.1030 0.0000 0.0000 65.0754 30.9504 183.2049 16 D 3.9055 6.8843 116.4774 53.2535 44.0670 178.1635 17 G 4.2269 6.9619 112.3244 44.3374 0.0000 174.3382 18 Q 4.8690 8.1745 126.3927 55.5235 33.0945 172.4626 19 D 5.1509 7.0038 119.6084 53.6824 43.9030 177.9253 20 I 4.5849 8.4470 122.0166 61.1164 41.1466 172.3976 21 C 5.2258 9.1723 120.9997 55.8565 41.0995 172.6621 22 Y 5.4878 8.7574 122.0627 55.2683 41.0754 174.4505 23 T 4.5946 8.7964 112.6120 59.5982 71.3572 172.6732 24 K 5.1738 8.6280 127.2394 53.8523 35.6972 173.6521 25 T 4.5255 9.1220 119.4608 62.0837 71.6721 173.6881 26 W 4.6046 9.3673 115.9855 55.9425 31.4158 175.1225 27 C 4.8294 8.8686 119.5154 56.0895 42.8428 174.2100 28 D 4.3703 7.3132 121.0005 53.6406 41.4795 174.7950 29 G 4.7017 7.3797 125.2187 46.0572 0.0000 171.3496 30 F 4.9704 6.8808 110.1040 55.8289 39.7846 174.1483 31 C 4.8294 8.2473 115.7673 57.8485 43.6839 175.4337 32 S 4.6615 7.5200 116.6818 57.5016 63.6169 174.8357 33 S 4.6665 8.2241 112.0337 58.5388 62.6194 175.1435 34 R 5.0681 7.1948 114.2849 57.9845 32.8572 175.5729 35 G 3.4705 7.1707 106.3392 44.5308 0.0000 176.3295 36 K 3.9670 6.2090 124.0714 56.9040 36.2691 176.1281 37 R 5.5880 7.8574 125.8552 57.4912 29.6780 174.3487 38 I 4.7845 7.1120 117.1988 59.3274 41.0211 174.5704 39 D 5.1301 8.3078 124.9086 51.7549 42.4551 174.7480 40 L 4.3161 8.0947 118.7042 55.6036 43.6046 173.9025 41 G 4.3176 8.9771 106.0110 46.3820 0.0000 171.2284 42 C 5.3070 8.9031 117.9368 55.6691 40.7410 173.4010 43 A 3.7030 7.7562 125.3893 49.6703 20.3217 176.0780 44 A 4.3896 8.0462 117.8652 53.1164 20.5993 176.0053 45 T 3.4682 8.2621 116.5466 64.7012 68.2493 172.4280 46 C 4.7965 8.6819 124.5941 54.6917 41.3075 171.7593 47 P 4.6350 0.0000 0.0000 62.4553 31.4771 178.4167 48 K 4.6123 8.1726 108.5927 55.7033 32.6620 176.4031 49 V 4.3556 7.3338 117.8118 61.6243 34.4142 174.3067 50 K 4.6269 8.2471 124.8459 55.0185 36.3465 171.3914 51 P 4.0885 0.0000 0.0000 64.1039 29.8946 176.6784 52 G 3.8842 8.8332 108.6603 45.0470 0.0000 174.3561 53 V 4.1167 7.3344 112.6061 60.6031 32.7812 175.3068 54 D 4.6459 8.5502 123.9849 53.6635 42.4120 174.8932 55 I 5.2172 8.3949 126.4485 59.3008 40.4081 174.9821 56 K 4.7911 9.1362 125.5138 55.3766 35.6952 174.6197 57 C 5.7696 8.7455 118.9796 55.8244 44.9038 172.3465 58 C 5.0533 9.0865 115.1605 54.4502 44.8511 174.0507 59 S 5.2804 8.4728 117.9846 57.3303 63.8734 173.1454 60 T 3.7849 8.0487 113.1786 62.6872 67.8612 170.6522 61 D 4.7254 8.8782 124.0991 56.1544 42.5098 176.1376 62 N 4.7265 9.0171 124.9907 53.8766 41.7149 178.9882 63 C 3.8652 8.8085 116.6428 57.8146 43.9933 176.1128 64 N 3.8812 8.3531 116.6600 52.1155 35.5326 172.0887 65 P 4.2364 0.0000 0.0000 65.2323 32.1909 177.6754 66 F 4.8961 7.5727 114.6943 56.1412 35.2682 172.6628 67 P 4.2098 0.0000 0.0000 66.5549 31.9636 179.8476 68 T 3.4813 7.6414 102.8196 62.2341 68.9746 170.1954 69 W 3.6645 8.4187 134.0970 57.9059 32.6410 176.5049 70 K 4.7926 7.7394 113.8469 55.8964 35.5367 176.0317 71 R 5.0901 8.5810 126.1916 56.2759 31.6959 172.4535 72 K 3.8809 8.4834 116.8904 55.1089 28.2796 175.1891 73 H 4.7721 8.8470 120.6173 56.1846 30.3537 174.5695 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 T 8.03 4.25 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 1.21 0.00 0.00 2 K 7.95 5.12 0.00 1.78 1.86 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.63 7.81 3 C 9.73 5.54 0.00 3.11 2.39 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 4 Y 8.56 4.32 0.00 3.04 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 5 V 8.09 4.16 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 1.02 0.00 0.00 0.85 0.00 0.00 6 T 7.16 3.79 4.02 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 1.15 0.00 0.00 7 P 0.00 4.69 0.00 2.64 2.37 0.00 3.43 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 8 D 8.90 4.75 0.00 2.65 2.69 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 9 A 7.63 5.03 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 T 8.27 4.69 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 1.23 0.00 0.00 11 S 8.30 4.91 0.00 3.93 4.13 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 12 Q 7.66 4.82 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 13 T 7.46 4.25 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 14 C 8.61 4.03 0.00 3.14 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 15 P 0.00 4.10 0.00 2.24 2.23 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 16 D 6.88 3.91 0.00 2.77 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 17 G 6.96 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 0.00 0.00 0.00 0.00 18 Q 8.17 4.87 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 19 D 7.00 5.15 0.00 2.54 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.45 4.58 1.93 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 1.36 0.54 0.96 0.00 0.00 21 C 9.17 5.23 0.00 3.06 3.08 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 22 Y 8.76 5.49 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 4.59 4.14 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 1.17 0.00 0.00 24 K 8.63 5.17 0.00 1.85 1.75 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.50 1.62 7.81 25 T 9.12 4.53 4.32 0.00 0.00 0.00 0.00 0.00 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 26 W 9.37 4.60 0.00 3.33 3.25 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 27 C 8.87 4.83 0.00 2.89 2.83 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 28 D 7.31 4.37 0.00 2.47 2.41 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 29 G 7.38 4.70 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 0.00 0.00 0.00 30 F 6.88 4.97 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 31 C 8.25 4.83 0.00 3.28 3.40 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 32 S 7.52 4.66 0.00 3.80 3.79 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 33 S 8.22 4.67 0.00 3.92 4.02 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 34 R 7.19 5.07 0.00 1.76 1.94 0.00 3.57 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 35 G 7.17 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.21 3.97 0.00 1.38 1.38 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 1.19 7.81 37 R 7.86 5.59 0.00 1.87 2.02 0.00 3.19 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 38 I 7.11 4.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.38 0.80 0.00 0.00 39 D 8.31 5.13 0.00 2.62 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 40 L 8.09 4.32 0.00 1.62 1.52 0.69 0.12 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 41 G 8.98 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.90 5.31 0.00 2.91 3.11 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 43 A 7.76 3.70 1.33 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 0.00 0.00 44 A 8.05 4.39 1.12 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 0.00 0.00 45 T 8.26 3.47 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 1.19 0.00 0.00 46 C 8.68 4.80 0.00 2.97 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 47 P 0.00 4.63 0.00 2.17 1.92 0.00 3.75 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 1.95 1.92 0.00 48 K 8.17 4.61 0.00 1.83 1.81 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 V 7.33 4.36 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 50 K 8.25 4.63 0.00 1.83 1.71 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.35 7.81 51 P 0.00 4.09 0.00 2.13 1.89 0.00 3.68 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 1.91 1.92 0.00 52 G 8.83 3.88 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 0.00 0.00 0.00 53 V 7.33 4.12 2.16 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 0.79 0.00 0.00 0.92 0.00 0.00 54 D 8.55 4.65 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.39 5.22 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 1.15 0.00 0.00 56 K 9.14 4.79 0.00 1.79 1.86 0.00 1.24 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.38 7.81 57 C 8.75 5.77 0.00 2.87 3.03 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 0.00 0.00 0.00 58 C 9.09 5.05 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 5.28 0.00 3.90 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 60 T 8.05 3.78 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 1.20 0.00 0.00 61 D 8.88 4.73 0.00 2.62 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 9.02 4.73 0.00 2.67 2.81 0.00 0.00 6.95 7.63 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 63 C 8.81 3.87 0.00 3.02 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.35 3.88 0.00 2.79 2.92 0.00 0.00 6.68 7.94 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 65 P 0.00 4.24 0.00 1.60 1.72 0.00 3.42 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.51 0.00 66 F 7.57 4.90 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.21 0.00 2.34 2.25 0.00 4.02 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 1.30 1.55 0.00 68 T 7.64 3.48 4.34 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 1.34 0.00 0.00 69 W 8.42 3.66 0.00 3.77 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.74 4.79 0.00 2.15 2.43 0.00 2.12 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.56 7.81 71 R 8.58 5.09 0.00 1.98 1.98 0.00 3.45 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 72 K 8.48 3.88 0.00 1.97 2.09 0.00 1.38 0.00 0.00 1.51 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.57 7.81 73 H 8.85 4.77 0.00 3.38 3.64 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00