NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4636 8.3349 115.3023 57.6903 63.7881 173.3825 8 D 4.7408 8.4664 126.2163 53.3500 42.0100 174.2729 9 F 5.3482 9.0626 115.4091 55.9814 41.6940 173.3044 10 V 4.4744 9.1322 112.4283 59.5251 35.7594 174.7334 11 V 4.9456 8.5005 122.7998 61.3828 34.0655 174.6225 12 I 4.9453 8.8366 127.7053 59.5514 40.9395 173.9636 13 K 5.0007 9.4397 129.2741 54.3042 34.3781 175.0446 14 A 4.4112 8.6867 130.1737 52.0589 19.2831 177.4011 15 L 4.8088 8.8856 122.1940 54.5683 42.4883 175.7718 16 E 4.7574 7.6815 115.9201 54.9616 32.6569 174.4356 17 D 4.4288 8.5913 120.1339 54.8837 41.7586 176.6467 18 G 3.7899 8.6442 108.9828 46.4156 0.0000 173.9441 19 V 4.0292 7.9574 119.7250 62.5026 33.1827 174.3719 20 N 5.4187 8.8827 124.1092 51.4344 41.7965 173.4604 21 V 4.5748 8.7127 123.9620 61.3523 33.7408 174.2600 22 I 4.7406 8.7710 129.9932 59.3719 39.9492 175.1003 23 G 4.1088 9.0548 116.0371 45.6077 0.0000 172.3053 24 L 5.3537 9.0457 127.2357 53.5872 43.6289 176.4031 25 T 4.6964 8.9197 115.1607 61.4522 69.4653 174.5448 26 R 4.6172 8.0590 126.6725 56.8531 30.9528 175.1267 27 G 3.7456 8.8818 109.7538 43.8918 0.0000 172.9536 28 A 4.1000 8.7124 121.6904 54.9401 18.4917 178.0188 29 D 4.7593 7.8209 113.7253 53.4327 42.2991 176.3945 30 T 4.6905 8.3749 119.3685 61.9323 70.4905 172.9553 31 R 4.9206 8.7267 122.5389 54.2506 33.9847 173.8118 32 F 5.8601 8.1282 114.1021 54.7562 38.3797 175.6720 33 H 4.4380 9.0812 120.5760 58.2063 29.1727 174.9663 34 H 4.9111 7.4311 117.9227 54.6757 33.4730 172.2344 35 S 4.9580 8.1010 118.2363 56.4843 64.9462 172.5822 36 E 4.3644 9.0454 129.2029 55.4400 30.8737 174.9418 37 K 4.8088 8.5864 127.9839 55.5142 33.7111 175.4398 38 L 5.0596 9.2317 126.6059 53.1866 45.1686 175.7554 39 D 5.1961 10.2287 123.8126 51.8905 44.0776 175.3658 40 K 3.9705 8.7838 121.5634 60.1502 31.9612 175.7162 41 G 4.1245 8.9661 115.6961 45.4951 0.0000 173.3467 42 E 4.1481 8.1883 118.9246 56.9522 30.7824 176.5239 43 V 4.9088 8.2602 121.2705 61.0844 34.4894 174.1949 44 L 4.7927 8.8781 129.3947 53.3143 44.8890 175.0567 45 I 5.0304 8.4457 125.3598 59.6623 39.6525 174.5556 46 A 4.7507 8.8701 129.2735 50.0676 21.6467 175.2712 47 Q 4.8290 8.6836 121.2595 55.0756 30.3343 175.8786 48 F 4.6051 8.6344 121.0420 57.8346 39.8839 174.9578 49 T 4.7720 9.0113 111.6874 59.5904 71.9108 174.1582 50 E 4.0271 8.8866 121.3144 58.6992 29.6384 176.4996 51 H 4.8942 8.1986 113.2745 55.7842 32.3391 173.0797 52 T 5.2058 9.0144 116.3572 61.9339 70.6071 174.7699 53 S 5.0275 9.0850 120.0435 58.0866 64.9658 173.4808 54 A 5.3025 7.9792 121.5764 51.0990 22.6305 175.0875 55 I 4.9578 8.5418 120.9190 59.3315 40.5591 174.7005 56 K 4.5599 8.9344 128.2677 54.4866 34.6071 174.7020 57 V 5.0102 8.3828 126.7858 61.0071 33.9399 174.6519 58 R 4.5647 8.8433 123.3569 55.6665 32.6751 175.6773 59 G 4.1221 8.9918 107.4711 44.4266 0.0000 172.8484 60 K 4.3585 9.3512 121.4428 56.6612 33.0790 175.6298 61 A 5.1625 9.1978 128.6771 50.8436 23.4455 173.8107 62 Y 4.7381 9.4833 122.6881 56.3726 40.5974 174.4714 63 I 4.9737 7.9545 126.9710 59.4958 41.1139 174.3178 64 Q 4.8230 9.0332 125.8191 54.2759 31.3999 174.9271 65 T 4.7807 8.2748 113.4743 59.0917 72.1273 174.8418 66 R 3.7894 8.5798 121.2511 59.7191 29.7953 176.5502 67 H 4.5341 7.4870 111.7008 55.3519 29.3475 173.5704 68 G 3.6805 7.9515 105.9049 43.8369 0.0000 173.0540 69 V 4.2756 7.9333 111.6707 60.9608 32.6866 176.1430 70 I 4.5125 8.4452 123.5742 59.3866 41.9611 173.0909 71 E 5.0145 8.6218 129.5292 54.2744 31.2152 175.3126 72 S 4.4562 8.8920 122.9827 58.1716 64.7334 172.8537 73 E 4.7767 8.7408 122.3167 54.7846 31.3057 176.5185 74 G 3.8634 8.5138 116.0926 45.4348 0.0000 173.4785 75 K 4.1370 8.6689 121.8663 57.0073 33.1239 176.2437 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 7 S 8.33 4.46 0.00 3.91 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 8 D 8.47 4.74 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.06 5.35 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.13 4.47 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 0.61 0.00 0.00 0.86 0.00 0.00 11 V 8.50 4.95 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 1.16 0.00 0.00 1.12 0.00 0.00 12 I 8.84 4.95 1.88 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 1.09 0.53 0.92 0.00 0.00 13 K 9.44 5.00 0.00 1.83 1.79 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.69 4.41 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 15 L 8.89 4.81 0.00 1.61 1.72 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.76 0.00 1.92 1.89 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 2.37 2.34 0.00 17 D 8.59 4.43 0.00 2.59 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 18 G 8.64 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 0.00 0.00 0.00 19 V 7.96 4.03 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 1.03 0.00 0.00 20 N 8.88 5.42 0.00 2.61 2.62 0.00 0.00 6.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.71 4.57 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 1.01 0.00 0.00 0.91 0.00 0.00 22 I 8.77 4.74 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.31 0.69 0.00 0.00 23 G 9.05 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 0.00 0.00 0.00 24 L 9.05 5.35 0.00 1.87 1.69 0.99 0.40 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 25 T 8.92 4.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 26 R 8.06 4.62 0.00 1.88 1.98 0.00 3.22 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.88 3.75 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 0.00 0.00 0.00 28 A 8.71 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.76 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.69 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 31 R 8.73 4.92 0.00 1.71 1.96 0.00 2.69 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 32 F 8.13 5.86 0.00 3.09 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 33 H 9.08 4.44 0.00 3.30 3.54 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.43 4.91 0.00 3.29 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.10 4.96 0.00 3.87 3.66 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 36 E 9.05 4.36 0.00 2.22 1.81 0.00 0.00 0.00 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 2.32 0.00 37 K 8.59 4.81 0.00 1.80 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.46 7.81 38 L 9.23 5.06 0.00 1.55 1.51 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.23 5.20 0.00 2.43 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 40 K 8.78 3.97 0.00 1.79 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.54 7.81 41 G 8.97 4.12 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 0.00 42 E 8.19 4.15 0.00 2.14 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 2.34 2.28 0.00 43 V 8.26 4.91 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 0.87 0.00 0.00 0.96 0.00 0.00 44 L 8.88 4.79 0.00 1.79 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.03 1.83 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 1.34 0.82 0.98 0.00 0.00 46 A 8.87 4.75 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.68 4.83 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.63 4.61 0.00 3.02 2.95 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 49 T 9.01 4.77 4.33 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 1.30 0.00 0.00 50 E 8.89 4.03 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.23 0.00 51 H 8.20 4.89 0.00 3.06 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 9.01 5.21 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 1.37 0.00 0.00 53 S 9.08 5.03 0.00 3.89 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 54 A 7.98 5.30 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 55 I 8.54 4.96 1.76 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.82 0.00 0.00 56 K 8.93 4.56 0.00 1.73 1.50 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.28 7.81 57 V 8.38 5.01 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 0.88 0.00 0.00 0.89 0.00 0.00 58 R 8.84 4.56 0.00 1.87 1.91 0.00 2.73 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 59 G 8.99 4.12 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 0.00 60 K 9.35 4.36 0.00 1.96 1.73 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 9.20 5.16 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 62 Y 9.48 4.74 0.00 3.07 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 63 I 7.95 4.97 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.86 0.00 0.00 64 Q 9.03 4.82 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 65 T 8.27 4.78 4.12 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 1.14 0.00 0.00 66 R 8.58 3.79 0.00 1.65 1.88 0.00 3.21 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 67 H 7.49 4.53 0.00 3.17 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.95 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 0.00 0.00 0.00 69 V 7.93 4.28 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 0.64 0.00 0.00 0.92 0.00 0.00 70 I 8.45 4.51 1.80 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 1.06 1.32 0.82 0.00 0.00 71 E 8.62 5.01 0.00 1.98 1.82 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 2.32 2.39 0.00 72 S 8.89 4.46 0.00 3.92 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 73 E 8.74 4.78 0.00 1.84 1.89 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 2.21 2.27 0.00 74 G 8.51 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 0.00 0.00 0.00 75 K 8.67 4.14 0.00 1.89 1.78 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81