NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3798 8.1927 115.2895 58.2542 64.7356 175.2883 4 V 3.6716 8.0016 119.8016 65.9084 31.0988 174.3435 5 E 3.9595 9.0989 119.1026 59.8114 29.5817 178.7519 6 D 4.3628 7.8588 118.0204 57.1918 41.0763 178.8275 7 R 3.8873 8.8822 119.7811 59.1864 30.0849 179.1830 8 V 3.5589 8.1029 118.3106 66.3979 31.5401 178.0262 9 T 4.0010 7.9707 115.3608 66.8423 68.3326 176.1543 10 Q 3.9717 8.3322 121.5137 59.3167 28.9624 178.5650 11 L 4.0028 8.0515 120.0200 57.8620 41.6633 179.3753 12 E 4.0569 8.3903 118.5993 59.1455 29.3350 179.6654 13 R 3.8801 8.0191 118.2894 59.3140 30.1014 179.1963 14 I 3.6008 7.7724 119.5499 64.2087 37.0385 178.0621 15 S 4.0268 8.2506 114.6038 61.6578 62.1032 175.8417 16 N 4.2338 8.0781 118.9578 56.8646 38.6834 176.6835 17 A 4.0625 7.9892 121.9839 55.2864 18.3493 179.4045 18 H 4.2070 8.5001 115.3171 59.1027 28.9042 178.0076 19 S 4.1388 8.2642 117.0359 61.8730 62.8483 176.9427 20 Q 3.9943 8.1122 120.4956 58.7966 28.4375 178.5884 21 L 4.1198 8.0937 121.3705 58.2600 42.1811 178.9526 22 L 4.0241 8.3127 119.3573 58.1636 41.6556 179.5067 23 T 3.9214 7.9419 112.7366 64.9102 67.2515 176.5135 24 Q 3.9865 7.9934 119.8269 58.9863 28.7063 178.6289 25 L 4.0044 8.3270 120.4028 57.7420 41.7324 179.4088 26 Q 3.9417 8.2077 119.4652 59.2758 28.9670 178.4041 27 Q 3.9914 7.9458 118.6285 59.1212 28.7684 178.8094 28 Q 3.9806 8.1381 118.9753 58.9308 28.7647 178.7693 29 L 4.0141 8.2498 120.5987 57.9358 41.5474 179.8030 30 S 4.2286 8.0604 113.6857 61.1624 62.9981 176.2281 31 D 4.3432 8.3109 122.7670 57.4300 40.6025 178.4268 32 N 4.5375 8.5515 118.6682 55.6888 38.4269 177.0844 33 Q 3.9668 8.1400 120.9733 59.4623 29.1217 178.8619 34 S 4.2563 7.8742 115.9890 61.5857 62.4126 176.2191 35 D 4.3775 8.3391 121.8776 57.6376 40.5367 179.0381 36 I 3.7166 8.2256 120.4360 64.3427 36.9817 178.0203 37 D 4.3545 8.1890 119.8718 57.5772 40.7344 178.8308 38 S 4.0673 8.1136 113.2690 61.5405 62.2723 176.2664 39 L 3.9807 7.9023 121.5011 57.7897 41.2652 179.4425 40 R 3.9296 8.4312 119.1970 59.1743 29.9588 178.7003 41 G 3.6301 8.1904 105.7399 48.0716 0.0000 175.7361 42 Q 3.9883 8.0852 120.8938 58.4847 28.6464 178.7762 43 I 3.6345 7.9278 121.0822 64.3827 37.1449 178.2273 44 Q 3.6019 8.1909 120.5523 59.0177 28.7383 178.1748 45 E 3.9013 7.9242 119.4537 59.4363 29.4528 178.7310 46 N 4.2284 8.3250 116.9471 56.6760 38.6253 176.9722 47 Q 3.9282 8.1058 120.6122 59.6064 29.0842 178.1787 48 Y 4.4454 7.7081 117.6161 61.1286 37.7797 178.4489 49 Q 4.0357 8.5380 119.4227 58.8558 28.7765 178.3937 50 L 3.9494 8.2543 121.6766 58.3884 42.0613 178.7511 51 N 4.3431 8.4343 116.4008 56.3155 38.4636 177.1995 52 Q 3.9235 8.2120 120.8939 59.0876 29.1258 178.1660 53 V 3.5412 8.0021 119.5197 66.1487 31.5508 177.8795 54 V 3.5621 8.0379 118.0285 66.2531 31.0146 177.5665 55 E 3.9493 8.3573 118.8561 59.3104 29.3383 178.7856 56 R 3.9352 8.1229 118.8512 59.1694 30.0833 178.3050 57 Q 3.9861 8.3121 118.2060 59.0772 28.6792 179.0097 58 K 3.9471 8.0523 119.2705 59.7053 32.0035 179.4469 59 Q 3.9735 7.7538 117.8292 58.8673 28.5958 178.5641 60 I 3.6812 7.9382 120.9833 64.4429 37.2528 178.4370 61 L 3.9744 8.2787 120.0102 57.8153 41.4695 179.5661 62 L 3.9929 8.1401 119.0183 57.9782 41.4798 179.5610 63 Q 4.0197 8.7840 118.2906 59.0413 28.5494 179.0258 64 I 3.6929 7.9996 120.8678 64.4582 36.9203 178.1104 65 D 4.3623 7.7665 118.2784 57.6174 40.8595 178.7663 66 S 4.2767 8.0824 115.4966 61.6142 62.5872 176.8076 67 L 3.9974 8.0279 120.9403 57.9400 41.4463 179.2579 68 S 4.2390 8.2409 114.7497 61.2186 62.7893 175.2831 69 S 4.4944 7.6752 120.6820 58.5280 63.2552 173.8021 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 3 S 8.19 4.38 0.00 3.87 3.92 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 4 V 8.00 3.67 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 1.05 0.00 0.00 0.93 0.00 0.00 5 E 9.10 3.96 0.00 2.09 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 2.40 2.48 0.00 6 D 7.86 4.36 0.00 2.87 2.70 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 7 R 8.88 3.89 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 8 V 8.10 3.56 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 1.03 0.00 0.00 0.94 0.00 0.00 9 T 7.97 4.00 4.36 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 1.20 0.00 0.00 10 Q 8.33 3.97 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 11 L 8.05 4.00 0.00 2.04 1.69 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.39 4.06 0.00 2.13 1.98 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 2.32 2.60 0.00 13 R 8.02 3.88 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 14 I 7.77 3.60 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.68 0.00 0.00 15 S 8.25 4.03 0.00 3.88 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 0.00 16 N 8.08 4.23 0.00 3.09 2.94 0.00 0.00 7.18 8.05 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 17 A 7.99 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.21 0.00 3.37 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.26 4.14 0.00 4.06 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 20 Q 8.11 3.99 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 21 L 8.09 4.12 0.00 1.84 1.88 0.92 0.52 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 22 L 8.31 4.02 0.00 1.86 1.70 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.94 3.92 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 1.31 0.00 0.00 24 Q 7.99 3.99 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 25 L 8.33 4.00 0.00 1.76 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.21 3.94 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 27 Q 7.95 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 28 Q 8.14 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 29 L 8.25 4.01 0.00 1.71 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.06 4.23 0.00 4.09 4.11 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 31 D 8.31 4.34 0.00 2.94 2.76 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 32 N 8.55 4.54 0.00 2.84 2.86 0.00 0.00 6.18 7.52 0.00 0.00 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 Q 8.14 3.97 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 34 S 7.87 4.26 0.00 4.03 3.89 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 35 D 8.34 4.38 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 3.72 2.00 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 1.51 0.76 0.90 0.00 0.00 37 D 8.19 4.35 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.07 0.00 3.89 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 39 L 7.90 3.98 0.00 1.86 1.68 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.43 3.93 0.00 1.83 2.07 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 41 G 8.19 3.63 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 0.00 0.00 0.00 42 Q 8.09 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 43 I 7.93 3.63 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.85 0.00 0.00 44 Q 8.19 3.60 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.39 0.00 45 E 7.92 3.90 0.00 2.17 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 2.42 2.37 0.00 46 N 8.32 4.23 0.00 2.99 2.86 0.00 0.00 6.70 7.28 0.00 0.00 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 Q 8.11 3.93 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 48 Y 7.71 4.45 0.00 3.22 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 49 Q 8.54 4.04 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 50 L 8.25 3.95 0.00 1.82 1.87 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.43 4.34 0.00 3.03 2.90 0.00 0.00 6.70 7.50 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 52 Q 8.21 3.92 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 V 8.00 3.54 2.22 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 1.02 0.00 0.00 0.97 0.00 0.00 54 V 8.04 3.56 2.09 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 0.95 0.00 0.00 0.96 0.00 0.00 55 E 8.36 3.95 0.00 2.34 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 2.31 2.36 0.00 56 R 8.12 3.94 0.00 2.11 2.06 0.00 3.21 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 57 Q 8.31 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 58 K 8.05 3.95 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 59 Q 7.75 3.97 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 60 I 7.94 3.68 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 61 L 8.28 3.97 0.00 1.83 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.14 3.99 0.00 1.87 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.78 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 64 I 8.00 3.69 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.91 0.00 0.00 65 D 7.77 4.36 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.08 4.28 0.00 4.02 3.91 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 0.00 0.00 0.00 67 L 8.03 4.00 0.00 1.76 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.24 4.24 0.00 3.99 3.95 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 0.00 0.00 0.00 69 S 7.68 4.49 0.00 3.97 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