NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1397 8.1727 122.0432 56.7900 34.0960 174.0604 9 S 4.4251 7.1481 115.4438 57.0791 64.8579 174.2387 10 F 5.0602 9.5607 125.7587 53.6295 39.9493 173.5570 11 P 4.3372 0.0000 0.0000 65.0808 31.5693 178.7043 12 E 3.9638 8.1496 115.5546 58.4610 29.8030 178.4356 13 V 3.7541 7.2703 111.7763 61.5519 32.1294 176.0125 14 V 3.9259 7.6077 121.5708 64.0998 31.4844 176.1658 15 G 3.9652 9.4581 116.0393 45.4515 0.0000 173.4487 16 K 4.2465 7.9714 120.1943 55.7869 33.0160 177.0272 17 T 4.8964 8.5423 120.8708 62.6709 70.3306 175.8797 18 V 3.4167 8.2531 123.4109 66.7587 31.4672 178.4023 19 D 4.2879 7.8998 117.4294 56.9267 40.7561 178.2556 20 Q 4.1985 7.7836 117.5594 57.9326 29.3032 177.8232 21 A 4.1670 8.3537 122.2134 55.1255 18.4001 179.3986 22 R 4.0579 8.3045 117.0894 60.1470 30.2092 178.9975 23 E 4.0041 7.9346 116.9417 59.4299 29.4586 178.9816 24 Y 4.1859 7.9763 119.3357 60.9446 38.9322 178.1924 25 F 4.5069 8.7401 118.9431 60.3976 38.7258 177.9302 26 T 3.8829 8.0058 109.2417 64.9439 68.6669 176.1264 27 L 3.9583 7.6774 122.2997 56.9172 42.1284 177.4972 28 H 4.4263 7.5954 114.1157 55.8186 31.3858 174.3339 29 Y 5.5145 8.0849 117.4258 55.5699 38.5810 174.6535 30 P 4.5523 0.0000 0.0000 64.5669 32.4356 177.9409 31 Q 3.9950 8.2174 118.5089 58.4431 28.8634 175.4124 32 Y 4.7249 7.6970 114.7325 56.7568 40.1754 176.3797 33 D 4.5768 9.1107 124.0178 53.0678 40.4436 173.9752 34 V 3.9793 7.4656 120.6667 60.6023 32.8570 175.2309 35 Y 4.8254 8.3929 124.0400 56.0969 40.2039 174.6188 36 F 5.2565 9.1686 122.8406 55.8911 40.9197 175.1467 37 L 4.9590 9.2189 123.0213 52.0511 46.6367 174.2305 38 P 3.9626 0.0000 0.0000 61.8395 32.4566 175.8694 39 E 4.0598 8.7685 122.9405 58.4593 29.5941 177.6820 40 G 3.8716 8.5339 110.6899 44.9942 0.0000 173.7697 41 S 4.2304 7.5118 116.4455 57.4695 63.3271 172.4119 42 P 4.3788 0.0000 0.0000 62.8519 31.5864 176.0999 43 V 4.5429 7.9906 115.4540 58.9368 35.2712 175.4659 44 T 3.9545 8.3929 112.8068 62.1308 69.3842 174.9880 45 L 4.5454 8.2863 127.1525 54.2543 41.6129 175.4351 46 D 4.8854 7.6667 117.1618 51.7437 42.0664 175.4738 47 L 4.6011 8.2067 119.2868 52.9802 43.7625 176.6170 48 R 4.6116 7.9325 121.2414 54.9797 33.2596 175.2159 49 Y 4.2876 8.8849 119.8956 58.4422 38.6402 175.4310 50 N 5.0009 8.1254 116.6164 52.4463 39.2673 173.6854 51 R 4.9503 7.7943 120.2531 55.2291 32.4192 175.2441 52 V 4.4322 8.1078 124.8306 60.8214 33.7762 174.4947 53 R 4.2622 8.4478 127.1681 55.9089 31.1457 176.6682 54 V 4.0142 8.1689 123.2515 60.9883 34.0193 174.1086 55 F 5.2264 8.5669 127.9367 56.8001 40.4502 174.7967 56 Y 5.3306 8.5272 121.5147 54.9791 42.0748 174.0545 57 N 4.9484 9.0659 118.8763 52.0665 39.6641 173.6788 58 P 4.5307 0.0000 0.0000 65.9689 31.6429 178.8164 59 G 3.8568 8.3813 105.9729 47.6090 0.0000 174.3413 60 T 4.4475 7.2149 106.1336 60.4003 70.8101 173.8331 61 N 4.1456 8.8338 118.6167 54.4027 36.6569 173.7055 62 V 4.9400 7.5923 110.0866 59.5514 35.2393 176.1276 63 V 4.4895 9.3659 125.0994 60.8137 32.0770 175.4376 64 N 5.1462 8.0679 123.2053 52.4420 38.0775 174.4911 65 H 4.8043 7.9689 114.6476 54.8878 32.7956 173.2732 66 V 3.9111 8.5089 124.5090 62.3457 31.7614 173.8708 67 P 4.7316 0.0000 0.0000 63.3958 32.6519 174.8369 68 H 5.2736 8.1290 115.5088 54.0326 31.9346 173.1775 69 V 3.9865 8.1040 113.0638 61.2030 31.9847 177.0875 70 G 3.6299 8.6027 113.5543 46.5373 0.0000 172.7748 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 8 K 8.17 4.14 0.00 1.82 1.48 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 1.21 7.81 9 S 7.15 4.43 0.00 3.78 3.50 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 10 F 9.56 5.06 0.00 3.11 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 11 P 0.00 4.34 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 12 E 8.15 3.96 0.00 1.91 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 0.00 2.03 2.18 0.00 13 V 7.27 3.75 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 0.20 0.00 0.00 0.98 0.00 0.00 14 V 7.61 3.93 2.12 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 0.82 0.00 0.00 1.05 0.00 0.00 15 G 9.46 3.97 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 0.00 0.00 0.00 16 K 7.97 4.25 0.00 2.02 1.73 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.32 7.81 17 T 8.54 4.90 4.47 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 1.23 0.00 0.00 18 V 8.25 3.42 1.72 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 0.52 0.00 0.00 0.38 0.00 0.00 19 D 7.90 4.29 0.00 2.72 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 20 Q 7.78 4.20 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 21 A 8.35 4.17 1.74 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 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.30 4.06 0.00 1.86 1.97 0.00 2.82 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.00 23 E 7.93 4.00 0.00 2.17 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 2.59 2.47 0.00 24 Y 7.98 4.19 0.00 3.12 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 25 F 8.74 4.51 0.00 3.46 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 26 T 8.01 3.88 4.25 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 1.33 0.00 0.00 27 L 7.68 3.96 0.00 1.58 1.59 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.60 4.43 0.00 2.41 2.28 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.08 5.51 0.00 3.33 3.26 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 0.00 30 P 0.00 4.55 0.00 2.18 2.33 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 31 Q 8.22 3.99 0.00 1.58 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 32 Y 7.70 4.72 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 9.11 4.58 0.00 2.71 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 34 V 7.47 3.98 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 0.48 0.00 0.00 -0.33 0.00 0.00 35 Y 8.39 4.83 0.00 2.76 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 F 9.17 5.26 0.00 2.93 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.96 0.00 1.04 1.36 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 3.96 0.00 1.99 1.80 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 39 E 8.77 4.06 0.00 2.03 2.20 0.00 0.00 0.00 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 2.31 0.00 40 G 8.53 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 0.00 0.00 0.00 41 S 7.51 4.23 0.00 4.30 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 42 P 0.00 4.38 0.00 2.16 2.05 0.00 3.71 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 1.98 1.98 0.00 43 V 7.99 4.54 2.12 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 0.91 0.00 0.00 1.00 0.00 0.00 44 T 8.39 3.95 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 1.19 0.00 0.00 45 L 8.29 4.55 0.00 1.64 1.69 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.67 4.89 0.00 2.78 2.67 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 47 L 8.21 4.60 0.00 1.67 1.48 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.93 4.61 0.00 1.77 1.82 0.00 3.33 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 49 Y 8.88 4.29 0.00 3.05 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 50 N 8.13 5.00 0.00 2.70 3.03 0.00 0.00 5.78 7.66 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 51 R 7.79 4.95 0.00 2.06 2.09 0.00 3.11 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 52 V 8.11 4.43 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.53 0.00 0.00 53 R 8.45 4.26 0.00 1.62 1.22 0.00 3.25 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 54 V 8.17 4.01 1.00 0.00 0.00 0.00 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 0.32 0.00 0.00 55 F 8.57 5.23 0.00 3.03 2.93 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 56 Y 8.53 5.33 0.00 3.27 3.24 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 57 N 9.07 4.95 0.00 2.89 2.86 0.00 0.00 7.59 7.09 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 58 P 0.00 4.53 0.00 2.27 2.20 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 59 G 8.38 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 60 T 7.21 4.45 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 61 N 8.83 4.15 0.00 2.94 2.81 0.00 0.00 6.73 7.24 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 62 V 7.59 4.94 2.12 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 0.85 0.00 0.00 0.97 0.00 0.00 63 V 9.37 4.49 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 1.12 0.00 0.00 64 N 8.07 5.15 0.00 2.71 2.93 0.00 0.00 6.79 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.97 4.80 0.00 3.20 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.51 3.91 2.14 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 0.83 0.00 0.00 0.97 0.00 0.00 67 P 0.00 4.73 0.00 2.34 2.21 0.00 4.03 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.16 0.00 68 H 8.13 5.27 0.00 3.31 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.10 3.99 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 0.70 0.00 0.00 1.01 0.00 0.00 70 G 8.60 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