NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5680 8.1914 118.3175 58.7344 30.4980 172.3834 7 G 5.0287 7.8184 105.5789 44.1128 0.0000 169.6835 8 K 5.0878 8.4896 121.3246 53.8317 35.3726 173.9768 9 C 4.5128 7.9585 124.0758 58.0427 33.1495 172.6090 10 W 3.8455 8.0146 131.0174 57.1437 31.1182 177.1937 11 K 4.1449 9.6738 122.7873 56.9445 30.2192 176.8520 12 T 4.3796 7.3178 108.3723 60.9685 69.7587 175.0665 13 F 4.4231 8.9015 132.0730 57.4551 37.8579 176.7138 14 T 4.3941 7.6219 118.3013 62.5631 69.9402 175.7117 15 D 4.6851 8.8288 127.3543 54.8206 41.5496 175.7301 16 E 5.0085 8.4201 123.1613 54.7468 33.0278 175.1523 17 Q 4.5833 8.3009 116.6122 54.5650 32.8968 176.1585 18 L 4.0573 8.5865 118.7193 56.5168 41.7286 178.2999 19 K 4.3945 8.3424 117.8497 56.9932 31.9578 179.1631 20 V 4.0121 7.5536 112.4792 61.4249 29.9947 176.5396 21 L 4.7618 7.5381 119.0094 52.4988 44.2888 175.3426 22 P 4.4077 0.0000 0.0000 65.0317 32.1053 176.7256 23 G 3.9058 7.9507 106.6107 45.4779 0.0000 172.8759 24 V 4.2624 8.0659 116.5420 61.4569 32.6287 178.2704 25 R 4.5741 7.5249 125.2069 55.4098 29.1191 175.8425 26 C 4.6713 7.9819 120.2257 58.5014 32.1880 170.7758 27 P 4.0426 0.0000 0.0000 64.4096 30.4718 173.7652 28 Y 4.0455 8.4012 124.2907 58.8492 36.1873 169.3033 29 C 3.9787 8.1458 120.2609 60.3681 28.2631 175.2752 30 G 3.4757 8.7226 113.7248 46.7533 0.0000 172.4109 31 Y 3.8688 7.3701 121.5304 58.3774 38.8731 176.3497 32 K 4.6979 8.6058 127.3149 56.5416 32.8463 177.0471 33 I 4.2429 8.2813 119.7080 62.1351 38.0257 175.7550 34 I 3.6707 7.0828 118.9607 58.8876 39.3650 173.8034 35 F 5.0957 7.8448 120.4407 55.5292 41.2418 173.3344 36 M 4.8411 9.0525 120.1981 55.6524 32.6685 175.1176 37 V 4.5079 8.1114 117.9955 60.1120 34.8809 174.0536 38 R 3.6580 8.6810 119.9902 56.6235 29.9683 175.4419 39 K 4.1188 8.6151 126.7515 55.4441 32.4191 175.7884 40 P 4.6597 0.0000 0.0000 63.3769 28.4803 175.1052 41 T 4.5927 7.3551 120.7001 61.9671 72.8800 173.9738 42 I 3.7055 8.2588 122.7852 61.1657 37.1415 175.6459 43 K 4.3365 8.3670 128.6064 54.7108 32.2004 176.3978 44 I 4.1365 8.1684 125.8654 60.0243 37.6851 175.7496 45 V 4.3240 8.1415 125.4611 60.3344 33.4792 174.8854 46 K 4.0865 8.6288 126.7195 56.6576 33.1884 177.9924 47 A 4.3217 8.3391 129.7414 51.0881 16.8639 176.9859 48 I 4.0239 7.4663 123.4953 60.7648 37.3557 176.3802 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 6 C 8.19 4.57 0.00 2.91 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 7 G 7.82 5.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 5.09 0.00 1.48 1.38 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.25 7.81 9 C 7.96 4.51 0.00 3.06 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 10 W 8.01 3.85 0.00 2.34 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 11 K 9.67 4.14 0.00 2.12 2.17 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.53 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.81 1.79 7.81 12 T 7.32 4.38 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 1.28 0.00 0.00 13 F 8.90 4.42 0.00 2.79 3.08 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 0.00 0.00 0.00 0.00 14 T 7.62 4.39 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 1.21 0.00 0.00 15 D 8.83 4.69 0.00 2.55 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 5.01 0.00 1.84 1.86 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 2.21 2.40 0.00 17 Q 8.30 4.58 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 18 L 8.59 4.06 0.00 1.70 1.71 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.34 4.39 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.40 7.81 20 V 7.55 4.01 2.09 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 0.74 0.00 0.00 1.00 0.00 0.00 21 L 7.54 4.76 0.00 1.60 1.56 0.92 1.13 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 22 P 0.00 4.41 0.00 2.17 2.16 0.00 3.80 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 1.95 1.96 0.00 23 G 7.95 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 24 V 8.07 4.26 2.09 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 0.79 0.00 0.00 0.95 0.00 0.00 25 R 7.52 4.57 0.00 1.85 1.73 0.00 3.29 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 26 C 7.98 4.67 0.00 3.30 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 27 P 0.00 4.04 0.00 2.02 2.00 0.00 4.02 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 28 Y 8.40 4.05 0.00 3.16 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 29 C 8.15 3.98 0.00 3.08 3.10 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 0.00 0.00 0.00 0.00 30 G 8.72 3.48 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 0.00 31 Y 7.37 3.87 0.00 2.99 2.90 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 32 K 8.61 4.70 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.55 7.81 33 I 8.28 4.24 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.98 0.00 0.00 34 I 7.08 3.67 1.80 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 1.06 1.48 0.91 0.00 0.00 35 F 7.84 5.10 0.00 2.99 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 36 M 9.05 4.84 0.00 1.95 2.13 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 2.66 2.44 0.00 37 V 8.11 4.51 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 0.70 0.00 0.00 0.97 0.00 0.00 38 R 8.68 3.66 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 K 8.62 4.12 0.00 1.76 1.73 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 40 P 0.00 4.66 0.00 2.22 2.09 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 41 T 7.36 4.59 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 1.21 0.00 0.00 42 I 8.26 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.91 0.00 0.00 43 K 8.37 4.34 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.59 7.81 44 I 8.17 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.91 0.00 0.00 45 V 8.14 4.32 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 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.63 4.09 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 47 A 8.34 4.32 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 48 I 7.47 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.91 0.00 0.00