NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4142 0.0000 0.0000 61.6506 32.8186 176.0862 2 K 3.8541 8.6870 121.3905 56.5000 32.5373 175.3208 3 I 4.0303 9.2790 124.9237 61.2354 38.7546 175.3195 4 K 4.5406 8.4297 123.8944 55.0568 33.5257 176.5670 5 T 4.3007 8.2149 113.2536 60.8987 70.0422 176.2646 6 V 3.8469 8.1836 123.7136 62.9538 29.9010 176.5564 7 R 4.0710 8.6050 124.7232 58.7723 29.9490 178.5570 8 G 3.5962 8.0403 104.8404 47.8458 0.0000 175.5001 9 A 4.1723 8.2031 123.6384 54.7988 18.1008 179.3445 10 A 4.2278 7.5022 116.9568 54.1034 18.4854 178.7886 11 K 4.4526 7.8910 116.0398 56.2933 32.3873 177.1562 12 R 4.2187 7.9332 118.2163 56.4517 32.8129 175.6814 13 F 5.1996 7.9622 114.5293 55.4259 41.5047 175.3079 14 K 4.7419 8.7763 123.3710 54.1824 34.5077 175.7663 15 K 3.7569 9.1415 129.5237 57.0410 33.2095 176.1869 16 T 4.4206 7.9905 117.7891 60.0068 71.6134 175.0220 17 G 3.7418 8.0856 109.5310 48.8753 0.0000 175.4478 18 K 4.3941 8.0176 117.3338 55.6959 32.4506 177.6058 19 G 3.8428 7.9998 108.0391 45.1282 0.0000 175.7349 20 G 3.9381 7.3537 109.9536 45.1436 0.0000 173.0150 21 F 4.3099 8.4069 114.7977 58.3609 41.8942 171.4510 22 K 4.0861 8.5684 131.1670 56.1110 31.9257 173.8257 23 H 5.3773 9.4423 122.2258 54.1780 31.7909 171.8780 24 K 4.6042 8.1528 119.3209 54.9750 33.8169 175.3426 25 H 4.5594 8.3723 120.4234 54.9880 29.5983 175.5362 26 A 4.1345 8.2579 126.1239 53.4527 18.8655 177.2759 27 N 4.6493 9.1166 116.7745 53.0031 36.3989 174.7520 28 L 4.8083 7.4992 119.2725 55.0243 42.7197 176.3192 29 R 4.4038 7.8686 117.7917 57.6431 32.3367 173.8008 30 H 4.5194 8.2211 108.8906 56.2176 30.7427 173.2690 31 I 3.1604 7.7304 111.3315 62.4212 35.4949 172.2837 32 L 4.5594 7.5135 122.6842 56.4310 44.2638 179.0420 33 T 3.7119 8.0361 111.4131 65.1291 67.3296 174.3293 34 K 4.2167 8.0007 117.0806 57.7033 32.9546 176.3982 35 K 4.5155 8.5244 120.8038 54.1271 34.4097 176.3749 36 A 3.9599 8.5626 123.6992 53.0417 19.7189 178.5676 37 T 3.7568 8.6231 120.9388 66.7995 68.6910 176.3395 38 K 3.7249 8.0812 120.6443 59.9818 31.8453 177.8830 39 R 3.9004 7.9383 117.1024 59.6848 30.2129 178.1407 40 K 4.1564 8.0344 117.6593 58.9021 31.9789 179.2412 41 R 3.8590 8.4567 119.6292 59.7701 29.7922 177.9192 42 H 4.6137 8.0664 113.6299 57.4051 28.9375 176.6304 43 L 4.3108 7.6854 119.6644 55.4897 41.9294 178.6845 44 R 4.1037 7.3977 117.1881 57.7939 30.3451 175.3323 45 P 4.4115 0.0000 0.0000 62.6180 31.8116 175.3182 46 K 4.5216 8.1905 118.4330 55.9322 33.6028 175.7606 47 A 4.7395 8.5470 121.4210 50.9479 22.9465 175.3769 48 M 4.7591 8.5190 118.5439 54.5689 33.3129 177.1676 49 V 3.9734 8.5063 115.5746 60.8324 32.6935 176.4077 50 S 4.5112 8.3450 117.5830 57.6086 63.6802 175.3430 51 K 4.1005 8.6292 119.5032 59.4895 31.4220 179.7711 52 G 3.6940 7.7119 103.5571 46.8595 0.0000 174.5787 53 D 4.6395 7.7247 119.7950 54.7674 41.3019 178.1405 54 L 4.0506 7.4776 120.7500 57.7417 41.5112 178.8676 55 G 3.5951 7.8954 105.3143 47.2059 0.0000 175.7863 56 L 3.9979 7.5986 120.0742 57.5524 42.2240 179.1546 57 V 3.2486 7.5235 118.2102 65.7562 31.1733 178.2151 58 I 3.7003 7.3399 119.4052 63.8761 36.6805 178.0800 59 A 4.0468 7.3987 119.7125 54.5330 18.5287 178.6514 60 C 4.3533 7.7755 114.1074 60.3155 29.7009 173.2963 61 L 5.1259 7.2396 119.9331 52.9211 41.4027 175.7653 62 P 4.2484 0.0000 0.0000 64.6599 32.0845 177.5184 63 Y 4.5282 7.8804 114.1772 57.4434 38.3441 175.4235 64 A 4.3103 8.1410 129.3836 52.6209 18.4180 178.2262 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 P 0.00 4.41 0.00 2.08 2.06 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 2 K 8.69 3.85 0.00 1.83 1.79 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.57 7.81 3 I 9.28 4.03 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.98 0.00 0.00 4 K 8.43 4.54 0.00 1.76 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.43 7.81 5 T 8.21 4.30 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 1.26 0.00 0.00 6 V 8.18 3.85 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 1.07 0.00 0.00 0.98 0.00 0.00 7 R 8.61 4.07 0.00 1.86 2.00 0.00 3.35 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 8 G 8.04 3.60 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 0.00 0.00 0.00 9 A 8.20 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.23 1.41 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 0.00 0.00 11 K 7.89 4.45 0.00 1.68 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.75 7.81 12 R 7.93 4.22 0.00 1.39 0.98 0.00 2.91 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.00 13 F 7.96 5.20 0.00 2.82 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 14 K 8.78 4.74 0.00 1.83 1.74 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 15 K 9.14 3.76 0.00 1.70 1.62 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 0.90 7.81 16 T 7.99 4.42 4.20 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 0.00 0.00 1.25 0.00 0.00 17 G 8.09 3.74 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 0.00 18 K 8.02 4.39 0.00 1.71 1.78 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 19 G 8.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.35 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 0.00 0.00 0.00 21 F 8.41 4.31 0.00 3.07 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.09 0.00 2.00 1.88 0.00 1.68 0.00 0.00 2.06 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 23 H 9.44 5.38 0.00 3.07 3.46 0.00 5.49 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.15 4.60 0.00 1.66 1.66 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.41 7.81 25 H 8.37 4.56 0.00 3.36 3.20 0.00 5.75 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 26 A 8.26 4.13 1.26 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 0.00 0.00 27 N 9.12 4.65 0.00 2.79 3.31 0.00 0.00 6.69 7.85 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 28 L 7.50 4.81 0.00 1.55 1.59 0.93 0.86 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 29 R 7.87 4.40 0.00 1.74 1.82 0.00 3.30 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 30 H 8.22 4.52 0.00 3.23 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.73 3.16 1.78 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 1.40 0.60 0.73 0.00 0.00 32 L 7.51 4.56 0.00 1.71 1.63 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.04 3.71 4.23 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 1.20 0.00 0.00 34 K 8.00 4.22 0.00 1.90 1.91 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 K 8.52 4.52 0.00 1.65 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.38 1.49 7.81 36 A 8.56 3.96 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 37 T 8.62 3.76 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 38 K 8.08 3.72 0.00 1.78 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.46 7.81 39 R 7.94 3.90 0.00 1.84 2.13 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 40 K 8.03 4.16 0.00 1.87 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 41 R 8.46 3.86 0.00 1.90 1.98 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 42 H 8.07 4.61 0.00 3.15 3.28 0.00 5.71 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 43 L 7.69 4.31 0.00 1.80 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.40 4.10 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 45 P 0.00 4.41 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 46 K 8.19 4.52 0.00 1.64 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 47 A 8.55 4.74 1.05 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 48 M 8.52 4.76 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 49 V 8.51 3.97 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 0.91 0.00 0.00 0.93 0.00 0.00 50 S 8.35 4.51 0.00 4.02 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 51 K 8.63 4.10 0.00 1.87 1.90 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.57 7.81 52 G 7.71 3.69 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 0.00 0.00 0.00 53 D 7.72 4.64 0.00 2.59 2.59 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 0.00 0.00 0.00 0.00 54 L 7.48 4.05 0.00 1.91 1.67 1.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.90 3.60 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 0.00 0.00 0.00 56 L 7.60 4.00 0.00 1.47 1.63 0.88 0.86 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 57 V 7.52 3.25 1.41 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 -0.29 0.00 0.00 -0.24 0.00 0.00 58 I 7.34 3.70 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.92 0.00 0.00 59 A 7.40 4.05 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 60 C 7.78 4.35 0.00 3.07 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 61 L 7.24 5.13 0.00 1.58 1.64 0.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.25 0.00 1.75 1.97 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 63 Y 7.88 4.53 0.00 2.97 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 64 A 8.14 4.31 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00