NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3057 8.1233 122.4572 51.5559 20.8991 175.7505 2 D 4.4545 8.4793 119.7523 54.0818 40.5207 175.7437 3 C 4.4965 9.6775 124.8541 59.5091 38.7626 174.0960 4 A 4.7084 7.2013 117.5908 50.7641 22.2806 175.4276 5 K 4.8027 9.1225 121.0300 53.2620 35.4730 176.5377 6 G 3.8982 7.8459 113.1591 45.5842 0.0000 171.3673 7 K 4.7587 7.8300 117.7603 54.6910 33.0723 176.9309 8 I 4.0842 8.0996 122.6461 61.3811 37.4067 176.1293 9 E 4.3873 9.3722 127.0014 59.2069 30.0746 177.0682 10 F 5.1108 7.4358 111.8861 56.0193 41.0385 173.1488 11 S 5.1286 8.7740 113.5632 56.8669 66.6556 173.1585 12 K 4.4557 8.0502 120.9279 55.5174 35.5671 173.8076 13 Y 4.6465 8.7987 128.9672 57.1491 40.3669 174.0721 14 N 4.9773 8.4705 123.9422 51.2252 41.0238 175.9411 15 E 4.3314 8.7064 119.7877 59.2586 29.6602 177.7583 16 D 4.6576 7.9770 116.4565 52.9672 39.5553 176.2042 17 D 4.0469 8.5947 117.0779 55.3374 38.9208 173.7807 18 T 4.7187 7.7442 111.1542 60.7294 71.7626 173.0991 19 F 5.2398 9.1774 122.7472 57.1046 42.9624 173.1107 20 T 5.4034 8.9514 122.8147 62.1001 71.1562 173.9285 21 V 4.7067 9.1096 117.8480 59.3768 36.4844 174.3276 22 K 4.6167 7.9279 124.7377 54.6204 34.1419 175.0271 23 V 4.5837 8.7079 127.5693 61.5475 34.7361 174.9477 24 D 4.2833 9.7930 127.2195 55.4179 39.4498 174.1524 25 G 3.9752 9.2269 104.3021 45.4495 0.0000 173.5323 26 K 4.5656 7.9651 118.9953 54.3618 35.3053 174.9650 27 E 4.8506 8.3465 122.6838 55.3560 31.7068 174.8570 28 Y 4.8560 8.9523 120.2621 56.1858 42.9207 174.1724 29 W 5.8989 9.0160 118.2871 55.2208 32.2936 173.9166 30 T 4.5835 9.5575 115.4152 59.1408 70.2434 174.2895 31 S 4.7775 8.7129 120.1242 58.2226 64.0237 174.2372 32 R 4.2219 7.8322 122.2706 55.4112 29.6540 177.1902 33 W 4.4474 8.9357 124.6498 59.9930 28.0288 178.1193 34 N 4.3662 8.4026 115.8615 56.2266 37.9651 176.7747 35 L 4.3064 8.0454 119.5251 56.5409 41.7085 179.1420 36 Q 2.6901 7.9780 119.4403 58.1436 28.6133 177.0226 37 P 4.2608 0.0000 0.0000 65.3853 31.5452 178.3445 38 L 3.8782 7.2948 116.2951 57.6353 41.4446 179.2904 39 L 4.3753 8.5145 119.5244 57.7307 41.6021 179.2845 40 Q 4.1615 8.2834 119.7902 59.2672 29.0330 178.3488 41 S 4.1372 8.5300 116.4432 61.5553 62.7795 176.5594 42 A 4.0751 8.2160 123.4264 55.2055 18.0468 179.4789 43 Q 3.9670 8.6568 118.4912 59.4389 28.9684 178.4307 44 L 4.0923 8.3520 119.4939 57.3947 41.7479 178.6329 45 T 4.4656 7.8653 106.7233 60.6501 69.2327 174.8188 46 G 3.9145 7.7639 109.1463 47.0703 0.0000 174.2292 47 M 4.4176 8.2043 118.9398 55.3373 33.6251 175.8123 48 T 4.5769 8.9496 119.1394 62.8465 70.0406 174.4487 49 V 4.6957 8.8504 120.4443 59.8186 34.9992 175.2715 50 T 4.7432 8.2291 119.9217 61.7183 71.2959 173.4114 51 I 3.7955 8.4427 129.1477 60.6397 38.1536 175.5185 52 K 4.9309 8.0548 126.1303 54.7846 35.0610 175.3146 53 S 4.5062 8.4317 116.6869 58.3673 65.9227 176.0260 54 S 4.4607 8.8619 117.4724 59.0626 63.0442 174.6683 55 T 4.4940 7.9856 117.3120 62.5077 70.8343 172.8067 56 C 4.8824 8.7346 122.7837 56.2805 36.9517 173.8274 57 E 4.0733 8.1118 122.3249 55.9701 29.6799 176.1539 58 S 3.7494 8.4738 120.5080 59.9755 62.7415 174.4093 59 G 3.9488 9.6629 114.6036 45.4048 0.0000 173.2759 60 S 4.7758 7.8563 115.1772 57.2180 64.5049 173.3811 61 G 3.3255 8.1720 110.4545 46.1432 0.0000 172.5313 62 F 4.8761 7.2594 112.5182 56.0228 40.8261 174.9381 63 A 4.3987 8.4003 119.0445 52.1293 21.0659 175.2489 64 E 4.8797 8.2374 119.0591 54.8769 32.7520 175.0544 65 V 4.7058 8.3147 125.2672 60.6047 34.3851 173.2477 66 Q 4.5173 8.7236 125.9798 54.5860 31.3391 173.9301 67 F 5.1078 8.7114 122.7484 55.7846 41.7148 174.3441 68 N 5.1749 9.3562 120.6980 51.5964 42.6333 174.1362 69 N 4.9928 8.6427 119.4069 51.6687 40.9895 175.0949 70 D 4.5200 8.5302 118.4216 55.0665 40.9081 176.8244 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 A 8.12 4.31 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 2 D 8.48 4.45 0.00 2.59 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 3 C 9.68 4.50 0.00 2.34 2.82 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 0.00 0.00 0.00 0.00 4 A 7.20 4.71 1.18 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 0.00 0.00 5 K 9.12 4.80 0.00 1.57 1.57 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 6 G 7.85 3.90 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 0.00 0.00 0.00 7 K 7.83 4.76 0.00 1.77 1.76 0.00 1.82 0.00 0.00 2.38 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.42 7.81 8 I 8.10 4.08 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 1.01 0.00 0.00 9 E 9.37 4.39 0.00 1.84 2.07 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 2.36 2.39 0.00 10 F 7.44 5.11 0.00 3.01 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 11 S 8.77 5.13 0.00 3.61 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 12 K 8.05 4.46 0.00 1.95 1.72 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.39 7.81 13 Y 8.80 4.65 0.00 3.34 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 14 N 8.47 4.98 0.00 2.82 2.60 0.00 0.00 6.70 7.39 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 15 E 8.71 4.33 0.00 1.95 2.04 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 2.36 2.34 0.00 16 D 7.98 4.66 0.00 2.75 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 17 D 8.59 4.05 0.00 3.13 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 18 T 7.74 4.72 4.67 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 1.30 0.00 0.00 19 F 9.18 5.24 0.00 3.11 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 20 T 8.95 5.40 4.28 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 0.00 0.00 0.00 1.33 0.00 0.00 21 V 9.11 4.71 2.05 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 0.93 0.00 0.00 0.96 0.00 0.00 22 K 7.93 4.62 0.00 0.79 0.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.31 7.81 23 V 8.71 4.58 2.07 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 0.92 0.00 0.00 0.84 0.00 0.00 24 D 9.79 4.28 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.23 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 26 K 7.97 4.57 0.00 1.67 1.18 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.34 7.81 27 E 8.35 4.85 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 28 Y 8.95 4.86 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.02 5.90 0.00 3.55 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 30 T 9.56 4.58 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 1.25 0.00 0.00 31 S 8.71 4.78 0.00 4.17 4.35 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 32 R 7.83 4.22 0.00 1.86 1.92 0.00 3.24 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 33 W 8.94 4.45 0.00 3.41 3.23 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 34 N 8.40 4.37 0.00 2.77 2.91 0.00 0.00 7.18 6.74 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 35 L 8.05 4.31 0.00 1.92 1.81 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.98 2.69 0.00 1.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.78 2.30 0.00 37 P 0.00 4.26 0.00 2.21 2.25 0.00 3.89 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 2.01 0.00 38 L 7.29 3.88 0.00 1.83 1.40 0.93 0.40 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 39 L 8.51 4.38 0.00 2.07 2.10 1.40 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.28 4.16 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 41 S 8.53 4.14 0.00 3.96 3.86 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 0.00 0.00 0.00 42 A 8.22 4.08 1.70 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 43 Q 8.66 3.97 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 44 L 8.35 4.09 0.00 1.85 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.87 4.47 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 1.28 0.00 0.00 46 G 7.76 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 0.00 0.00 0.00 47 M 8.20 4.42 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 48 T 8.95 4.58 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 1.18 0.00 0.00 49 V 8.85 4.70 1.73 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 0.77 0.00 0.00 0.80 0.00 0.00 50 T 8.23 4.74 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 1.08 0.00 0.00 51 I 8.44 3.80 1.03 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.23 -0.37 0.00 0.00 52 K 8.05 4.93 0.00 1.62 1.59 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 53 S 8.43 4.51 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.86 4.46 0.00 3.88 3.87 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 55 T 7.99 4.49 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 1.25 0.00 0.00 56 C 8.73 4.88 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 57 E 8.11 4.07 0.00 2.03 1.88 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 2.39 2.32 0.00 58 S 8.47 3.75 0.00 3.70 3.67 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 59 G 9.66 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 0.00 0.00 0.00 60 S 7.86 4.78 0.00 4.08 3.99 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 0.00 0.00 0.00 61 G 8.17 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 0.00 0.00 0.00 62 F 7.26 4.88 0.00 3.05 2.88 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 63 A 8.40 4.40 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 64 E 8.24 4.88 0.00 2.00 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 2.22 2.25 0.00 65 V 8.31 4.71 2.07 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 0.75 0.00 0.00 0.38 0.00 0.00 66 Q 8.72 4.52 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 67 F 8.71 5.11 0.00 2.96 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 68 N 9.36 5.17 0.00 2.80 2.67 0.00 0.00 6.57 6.69 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 69 N 8.64 4.99 0.00 2.62 2.79 0.00 0.00 7.00 8.06 0.00 0.00 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 D 8.53 4.52 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00