NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 N 4.6750 8.4244 118.1255 54.7344 39.8610 171.8763 20 L 4.8884 7.7127 129.6547 54.6218 43.9611 172.0117 21 K 4.2351 8.1109 127.5445 54.9929 33.9445 175.0134 22 T 4.5910 7.9893 115.0168 60.9881 70.2401 173.2119 23 E 5.1742 7.0445 119.0169 54.8734 33.1534 175.2878 24 W 5.0417 9.3663 119.4776 53.4566 29.2990 174.6869 25 P 4.2857 0.0000 0.0000 65.8711 30.7912 178.6514 26 E 4.1968 8.2709 115.1608 57.6949 29.9169 177.8058 27 L 4.3609 8.2132 120.0744 55.4473 42.4849 176.8376 28 V 3.8997 7.2168 119.1442 64.5765 31.6265 175.7976 29 G 4.0470 9.5200 116.8251 45.3204 0.0000 173.9756 30 K 4.2929 7.8110 119.2515 55.5182 33.1084 176.7849 31 S 4.7691 8.4309 117.4364 57.6800 64.9580 175.6884 32 V 3.6351 7.8656 120.9520 65.9989 31.0015 178.3327 33 E 3.9019 8.0290 117.9090 59.3894 29.1975 178.9020 34 E 3.9581 8.2317 118.1887 59.5209 29.6097 179.3027 35 A 3.9382 8.3734 121.0679 54.9605 18.3435 179.7050 36 K 3.6866 8.1373 117.0369 59.6235 32.3431 179.1098 37 K 3.8112 7.6218 119.6306 59.6701 31.9349 178.8712 38 V 3.6956 7.4433 117.8726 66.0205 31.6303 177.9006 39 I 3.1900 7.3464 119.4698 64.4774 36.4073 178.5226 40 L 4.3535 8.2743 119.7765 57.3894 41.0843 179.4562 41 Q 3.9836 7.3337 117.8547 59.4756 29.1967 177.7410 42 D 4.8048 8.0557 118.0067 55.5596 42.4643 177.0170 43 K 4.6856 8.6897 120.5842 53.5371 32.5691 174.1870 44 P 4.3713 0.0000 0.0000 63.7103 31.7202 177.0475 45 E 4.3620 8.0149 113.0669 55.7455 30.2265 175.9246 46 A 4.2981 7.8191 122.5501 52.7634 19.3456 177.5299 47 Q 4.3841 9.3711 121.8708 54.2975 30.4245 174.8478 48 I 4.5270 8.1515 125.7953 60.5551 38.0277 175.6080 49 I 4.3952 8.6939 128.3265 59.2864 40.1433 174.7401 50 V 4.7332 8.3255 126.5363 61.2527 32.9154 174.4828 51 L 4.8472 8.4814 127.9454 51.9402 45.3834 174.6913 52 P 4.8782 0.0000 0.0000 62.1731 32.6600 176.3936 53 V 3.8150 8.3053 123.4228 64.7127 31.8903 176.5333 54 G 3.9882 8.9111 114.2005 45.3891 0.0000 173.3582 55 T 4.1839 7.4061 116.0092 63.0165 69.0769 174.2843 56 I 4.1563 8.3538 127.4721 60.4816 37.6593 175.9100 57 V 4.3882 8.0934 118.5960 59.5993 34.0050 175.6688 58 T 4.1786 8.1038 117.9151 63.5618 68.8298 176.7924 59 M 4.4140 8.6634 124.3818 55.5797 31.5901 175.1405 60 E 4.3735 8.5387 116.1463 54.7116 30.7934 174.8248 61 Y 4.3991 8.6006 124.8119 56.2221 39.5544 174.5935 62 R 4.2663 7.5681 126.1143 53.9082 32.4942 176.2169 63 I 3.4762 8.1931 124.2844 63.4724 38.1763 175.9940 64 D 4.6382 7.8994 117.4679 53.2157 40.2498 175.1769 65 R 4.8616 7.6580 121.9014 55.1979 32.2919 175.2710 66 V 4.5736 8.7528 125.2593 61.1991 34.3198 174.2537 67 R 4.6223 8.6508 127.5406 55.4353 31.3716 175.9801 68 L 4.5892 9.3538 124.9057 53.0944 44.1498 175.4411 69 F 5.0605 8.8547 123.1226 56.3458 40.5608 175.3551 70 V 5.5101 9.1420 118.1598 59.0660 34.6397 175.7226 71 D 4.9197 8.3142 122.7112 51.8560 41.6264 177.1519 72 K 3.8464 8.8194 117.1905 59.0272 31.9579 177.9713 73 L 4.4935 8.0563 115.7241 54.0557 42.3787 175.6577 74 D 4.5122 8.3231 118.3947 55.6589 38.3150 173.4718 75 N 5.1449 8.5408 115.5824 51.3884 40.7891 174.8496 76 I 4.0242 8.7780 122.4238 61.4894 37.4066 176.9511 77 A 4.1109 9.0101 129.1152 52.5169 19.8280 176.2879 78 E 4.7514 7.7792 111.6724 53.9202 32.8561 175.1781 79 V 3.8147 8.3275 119.9704 62.5447 32.0232 174.0084 80 P 4.7058 0.0000 0.0000 63.1091 32.4330 175.6071 81 R 5.4683 8.4591 120.6444 54.7144 34.4074 175.0490 82 V 4.0415 8.7561 122.3455 62.8091 32.5183 176.4501 83 G 3.2448 8.1671 114.5929 45.2147 0.0000 173.0491 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 19 N 8.42 4.67 0.00 2.72 2.86 0.00 0.00 6.80 6.97 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 20 L 7.71 4.89 0.00 1.78 1.64 0.95 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.11 4.24 0.00 1.56 1.44 0.00 1.55 0.00 0.00 1.29 0.00 0.00 2.50 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.32 0.98 7.81 22 T 7.99 4.59 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 1.23 0.00 0.00 23 E 7.04 5.17 0.00 2.18 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 2.05 2.23 0.00 24 W 9.37 5.04 0.00 3.42 3.05 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 0.00 0.00 0.00 0.00 25 P 0.00 4.29 0.00 2.23 2.35 0.00 3.75 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 2.07 1.95 0.00 26 E 8.27 4.20 0.00 2.19 2.29 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 2.49 2.37 0.00 27 L 8.21 4.36 0.00 2.04 1.79 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.22 3.90 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 1.06 0.00 0.00 29 G 9.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.81 4.29 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 31 S 8.43 4.77 0.00 4.22 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 32 V 7.87 3.64 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 1.04 0.00 0.00 0.94 0.00 0.00 33 E 8.03 3.90 0.00 2.00 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 2.38 2.33 0.00 34 E 8.23 3.96 0.00 2.13 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 2.32 2.32 0.00 35 A 8.37 3.94 1.27 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 0.00 0.00 0.00 36 K 8.14 3.69 0.00 2.00 1.80 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.46 7.81 37 K 7.62 3.81 0.00 1.89 2.02 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 V 7.44 3.70 2.06 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 1.13 0.00 0.00 1.01 0.00 0.00 39 I 7.35 3.19 1.45 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.26 0.00 0.00 40 L 8.27 4.35 0.00 1.70 1.69 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.33 3.98 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 42 D 8.06 4.80 0.00 3.32 2.98 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 43 K 8.69 4.69 0.00 1.95 1.90 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.78 7.81 44 P 0.00 4.37 0.00 2.09 2.13 0.00 3.81 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 45 E 8.01 4.36 0.00 2.06 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 0.00 2.21 2.24 0.00 46 A 7.82 4.30 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 47 Q 9.37 4.38 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 48 I 8.15 4.53 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.79 0.00 0.00 49 I 8.69 4.40 1.75 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 1.04 1.19 0.78 0.00 0.00 50 V 8.33 4.73 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 0.74 0.00 0.00 0.84 0.00 0.00 51 L 8.48 4.85 0.00 0.85 1.33 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.88 0.00 2.12 1.99 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 53 V 8.31 3.81 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 0.75 0.00 0.00 1.09 0.00 0.00 54 G 8.91 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 0.00 0.00 0.00 55 T 7.41 4.18 4.56 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 0.00 0.00 0.00 1.29 0.00 0.00 56 I 8.35 4.16 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.93 0.00 0.00 57 V 8.09 4.39 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 0.89 0.00 0.00 1.06 0.00 0.00 58 T 8.10 4.18 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 1.23 0.00 0.00 59 M 8.66 4.41 0.00 2.00 2.08 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 2.56 0.00 60 E 8.54 4.37 0.00 2.09 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 2.47 2.25 0.00 61 Y 8.60 4.40 0.00 2.97 2.98 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 62 R 7.57 4.27 0.00 1.67 1.81 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 63 I 8.19 3.48 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.91 0.00 0.00 64 D 7.90 4.64 0.00 3.01 2.86 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 65 R 7.66 4.86 0.00 1.86 1.98 0.00 2.98 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 66 V 8.75 4.57 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 0.76 0.00 0.00 0.76 0.00 0.00 67 R 8.65 4.62 0.00 1.80 1.51 0.00 3.37 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 68 L 9.35 4.59 0.00 1.29 1.50 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.85 5.06 0.00 3.07 3.01 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 70 V 9.14 5.51 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 0.57 0.00 0.00 0.97 0.00 0.00 71 D 8.31 4.92 0.00 2.73 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 72 K 8.82 3.85 0.00 1.77 1.94 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.49 7.81 73 L 8.06 4.49 0.00 1.73 1.68 0.92 1.06 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 74 D 8.32 4.51 0.00 2.87 2.80 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 0.00 0.00 0.00 75 N 8.54 5.14 0.00 3.02 2.85 0.00 0.00 7.09 6.87 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 76 I 8.78 4.02 2.10 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 1.24 0.78 0.99 0.00 0.00 77 A 9.01 4.11 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 78 E 7.78 4.75 0.00 2.06 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 2.22 2.40 0.00 79 V 8.33 3.81 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 0.90 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.71 0.00 2.31 1.98 0.00 3.91 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 81 R 8.46 5.47 0.00 1.78 1.92 0.00 3.28 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 82 V 8.76 4.04 2.24 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 0.84 0.00 0.00 1.21 0.00 0.00 83 G 8.17 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 0.00 0.00 0.00