NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7377 8.4249 118.1253 53.2853 40.2749 175.3776 5 N 4.4688 7.9464 117.2071 55.2619 39.4625 175.5820 6 T 3.8899 8.2283 118.6016 66.0828 68.8698 176.1651 7 A 3.9953 7.8472 122.4303 55.2352 18.7598 179.5696 8 S 4.0762 8.0129 113.1691 61.7880 62.9045 177.0296 9 I 3.7259 8.2058 122.6253 64.3099 36.5922 178.2937 10 A 4.0289 7.7939 121.4616 54.9471 18.0891 179.6270 11 Q 3.8893 8.3229 118.0534 59.4288 29.2697 178.1869 12 A 4.0744 8.2465 121.7753 54.8996 18.3024 179.9260 13 R 3.8889 8.0971 117.0325 59.2248 30.2239 178.9620 14 K 3.8664 7.6301 117.0689 59.4185 32.0056 178.7161 15 L 3.8846 7.8018 120.3459 58.5804 42.0045 179.4267 16 V 3.5433 7.6461 117.3736 65.8346 31.3195 177.8477 17 E 4.0432 8.8136 118.8830 58.8983 29.1816 179.1455 18 Q 3.9329 8.4750 120.3175 59.2778 29.2662 178.0123 19 L 3.9791 8.5972 120.4500 57.6673 41.3447 179.5267 20 K 3.9436 7.9104 118.9948 59.4283 32.2749 178.1630 21 M 4.1501 7.6868 118.6383 58.9845 31.9768 178.2050 22 E 3.9649 8.1398 116.9368 59.2291 29.7352 178.8788 23 A 4.1440 8.0576 119.4541 53.5453 19.6661 177.9462 24 N 4.7085 7.5857 118.3277 51.8886 36.6352 174.2941 25 I 4.5679 6.6029 113.0600 59.1364 41.2938 175.7584 26 D 4.5646 8.4842 122.5392 53.2810 39.8980 176.7805 27 R 4.2878 8.2142 123.2373 55.7332 31.0651 176.2566 28 I 4.6082 7.7343 119.0468 58.9455 40.4441 176.1218 29 K 3.9803 8.5056 123.1207 56.6073 32.6378 177.9324 30 V 3.5856 8.7641 123.4023 66.2469 31.1809 177.9917 31 S 4.1072 8.1600 113.2925 61.8033 62.5413 176.5444 32 K 3.9258 8.1725 123.0675 58.6223 31.7480 178.5802 33 A 3.9769 7.9513 120.6295 55.0683 18.3446 179.2515 34 A 3.8779 8.4085 119.2324 55.2649 18.5002 179.3470 35 A 3.9539 8.1667 119.2656 55.7451 18.2421 179.5905 36 D 4.3262 8.2255 116.8686 57.5874 41.0192 179.1691 37 L 4.0180 7.7193 119.4509 57.8632 41.6700 179.0467 38 M 4.0236 8.6082 118.3151 58.8157 32.3998 178.1127 39 A 4.3261 8.3283 120.1350 54.3844 18.4591 179.0448 40 Y 4.0072 7.7536 118.9191 60.9335 38.9569 177.3949 41 C 4.1839 8.1168 117.2004 62.9470 28.0608 175.4500 42 E 3.8970 8.0639 119.3104 59.4812 29.0803 178.6901 43 A 4.0962 7.3215 118.5023 54.8519 19.0078 178.5197 44 H 4.9327 7.9849 113.6695 54.9067 28.8561 177.0820 45 A 4.1695 7.8271 126.7279 55.0022 18.6372 180.1769 46 K 4.1211 8.0462 115.4168 59.7356 32.3677 178.3584 47 E 4.3118 7.9153 115.1964 56.3850 29.3316 175.5509 48 D 5.0178 7.7712 120.4862 51.5633 41.8505 174.5985 49 P 4.6749 0.0000 0.0000 64.5614 31.8649 178.1220 50 L 4.0912 7.8749 118.6728 57.5694 41.8805 178.2114 51 L 4.0070 7.4979 119.8305 57.4938 42.0850 176.6592 52 T 4.4814 7.6460 110.7926 58.7227 69.7998 171.9711 53 P 4.3354 0.0000 0.0000 62.8053 31.7364 176.9814 54 V 4.0951 8.0997 116.3796 59.4470 33.0676 174.0891 55 P 4.3590 0.0000 0.0000 62.4466 31.7527 177.9554 56 A 4.0894 8.6486 123.4553 55.3055 17.9778 180.4079 57 S 4.0692 7.9626 112.8182 61.8232 63.1051 176.0901 58 E 4.3280 7.8802 118.6777 56.8742 29.2895 176.4014 59 N 4.6876 7.5256 119.4600 52.0698 38.9618 173.9485 60 P 4.4090 0.0000 0.0000 64.9229 31.6471 176.7858 61 F 4.8449 7.9733 116.2692 56.9368 39.4036 175.9571 62 R 4.7806 7.7159 120.9671 57.7094 37.7400 176.2663 63 E 4.0929 7.9986 118.2485 58.0014 29.8945 177.1029 64 K 4.1790 7.1356 116.0672 54.5582 35.3672 175.6716 65 K 4.0727 7.9401 120.7928 56.8382 33.7211 176.5765 66 F 4.4914 7.1994 113.3786 56.0692 38.8833 175.3619 67 F 4.4686 8.6232 121.3542 57.8175 39.6626 174.6941 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 4 N 8.42 4.74 0.00 2.73 2.90 0.00 0.00 6.91 7.11 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 5 N 7.95 4.47 0.00 2.80 2.84 0.00 0.00 7.00 6.17 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 6 T 8.23 3.89 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 1.21 0.00 0.00 7 A 7.85 4.00 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 8 S 8.01 4.08 0.00 3.87 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 9 I 8.21 3.73 1.95 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 1.45 0.98 0.91 0.00 0.00 10 A 7.79 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.32 3.89 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 A 8.25 4.07 1.40 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 0.00 0.00 13 R 8.10 3.89 0.00 2.02 1.98 0.00 3.27 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 K 7.63 3.87 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.57 7.81 15 L 7.80 3.88 0.00 1.77 1.87 0.92 0.93 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 16 V 7.65 3.54 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 0.97 0.00 0.00 1.01 0.00 0.00 17 E 8.81 4.04 0.00 2.21 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 2.33 2.31 0.00 18 Q 8.48 3.93 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 19 L 8.60 3.98 0.00 1.68 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.91 3.94 0.00 1.89 2.00 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 21 M 7.69 4.15 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 22 E 8.14 3.96 0.00 1.98 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 2.34 2.48 0.00 23 A 8.06 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.71 0.00 2.79 2.76 0.00 0.00 6.92 7.82 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 25 I 6.60 4.57 1.87 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 1.56 0.84 0.91 0.00 0.00 26 D 8.48 4.56 0.00 2.69 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 27 R 8.21 4.29 0.00 1.80 1.87 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 I 7.73 4.61 1.87 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 1.41 0.61 0.91 0.00 0.00 29 K 8.51 3.98 0.00 1.81 1.75 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.44 7.81 30 V 8.76 3.59 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 1.18 0.00 0.00 0.93 0.00 0.00 31 S 8.16 4.11 0.00 4.08 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 32 K 8.17 3.93 0.00 1.87 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.46 7.81 33 A 7.95 3.98 1.36 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 0.00 0.00 0.00 34 A 8.41 3.88 1.39 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 0.00 0.00 35 A 8.17 3.95 1.39 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 0.00 0.00 36 D 8.23 4.33 0.00 3.06 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 37 L 7.72 4.02 0.00 1.78 1.71 0.90 0.85 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 38 M 8.61 4.02 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 39 A 8.33 4.33 1.39 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 0.00 0.00 40 Y 7.75 4.01 0.00 2.99 3.14 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 41 C 8.12 4.18 0.00 3.21 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 42 E 8.06 3.90 0.00 2.09 2.18 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 2.32 2.35 0.00 43 A 7.32 4.10 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 44 H 7.98 4.93 0.00 3.02 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.83 4.17 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 46 K 8.05 4.12 0.00 1.80 1.85 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 47 E 7.92 4.31 0.00 2.16 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 2.26 0.00 48 D 7.77 5.02 0.00 2.77 2.54 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 0.00 0.00 0.00 49 P 0.00 4.67 0.00 2.24 2.19 0.00 3.44 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 50 L 7.87 4.09 0.00 1.66 1.76 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.50 4.01 0.00 1.89 1.86 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.65 4.48 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 53 P 0.00 4.34 0.00 2.07 2.05 0.00 3.67 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 2.12 0.00 54 V 8.10 4.10 2.10 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 0.72 0.00 0.00 0.96 0.00 0.00 55 P 0.00 4.36 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 56 A 8.65 4.09 1.32 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 57 S 7.96 4.07 0.00 3.85 3.94 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 0.00 0.00 0.00 0.00 58 E 7.88 4.33 0.00 2.10 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 2.35 2.47 0.00 59 N 7.53 4.69 0.00 2.88 2.93 0.00 0.00 7.04 7.56 0.00 0.00 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 P 0.00 4.41 0.00 1.46 1.98 0.00 3.92 0.00 0.00 3.97 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 61 F 7.97 4.84 0.00 3.02 3.09 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 62 R 7.72 4.78 0.00 2.04 1.87 0.00 3.26 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 63 E 8.00 4.09 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 64 K 7.14 4.18 0.00 0.90 0.79 0.00 1.39 0.00 0.00 1.25 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.05 1.01 7.81 65 K 7.94 4.07 0.00 1.63 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 66 F 7.20 4.49 0.00 3.01 2.94 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 0.00 0.00 0.00 0.00 67 F 8.62 4.47 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00