NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5502 8.3331 118.3712 58.9531 30.2105 172.3539 7 G 4.9669 7.4842 106.3496 45.3798 0.0000 170.6065 8 K 5.0310 8.3042 120.3030 55.6561 36.9828 172.2192 9 C 4.8891 8.2526 124.4961 60.2815 34.7287 173.4381 10 W 4.3000 8.6814 129.5686 56.8851 30.7092 173.7420 11 K 3.4877 6.8385 124.7205 57.6212 30.2687 176.9528 12 T 4.1999 6.9847 113.6592 60.4817 67.4117 173.1855 13 F 4.2458 8.3718 125.5555 59.0259 38.5235 173.1797 14 T 4.6430 8.1582 119.1323 61.2604 71.5913 172.9518 15 D 5.7247 9.1900 127.4750 53.8823 41.3272 175.7852 16 E 4.8334 8.6384 120.8540 54.1801 32.8813 175.5536 17 Q 4.2303 8.5974 121.9311 55.6691 29.8730 176.9455 18 L 4.0656 8.4150 121.2805 56.9365 41.7171 177.8810 19 K 4.1434 7.5020 116.3456 56.4845 30.9620 176.3591 20 V 4.4574 7.8067 116.9707 59.2724 34.1770 175.7381 21 L 4.3405 8.1841 123.4081 53.8831 44.7478 172.6451 22 P 4.5856 0.0000 0.0000 63.2948 32.6460 175.2672 23 G 4.3981 7.7562 108.1401 44.2030 0.0000 173.3760 24 V 4.2102 8.0615 115.1558 60.0997 30.1737 174.5481 25 R 4.8821 7.3540 123.0326 54.9875 34.9575 175.6412 26 C 4.6956 8.7938 121.4892 55.9240 44.8544 171.0650 27 P 4.5024 0.0000 0.0000 63.0899 31.3697 176.0231 28 Y 3.7039 8.5480 125.6688 58.6256 36.8559 169.2145 29 C 4.7409 7.7489 118.1099 58.5963 46.8169 176.9944 30 G 3.8278 7.6363 105.6191 46.7651 0.0000 172.7336 31 Y 4.7622 7.7045 117.7862 55.4941 42.2505 175.0619 32 K 4.2317 7.4237 122.5338 56.6934 34.2209 176.6756 33 I 3.6904 7.0323 119.6388 60.7628 36.9536 174.8554 34 I 4.4720 7.8096 125.6177 59.0912 40.5440 174.3689 35 F 4.8174 8.6659 127.8771 56.4638 40.8970 174.8210 36 M 4.9070 8.7787 123.1751 55.5139 32.8247 175.9510 37 V 4.2898 8.2968 124.8703 60.2276 33.4873 175.8323 38 R 3.9277 8.5366 121.9812 56.1495 30.7557 176.1850 39 K 4.0607 8.5747 125.6077 55.8374 32.3663 175.5191 40 P 4.5726 0.0000 0.0000 63.9475 31.2425 176.6670 41 T 3.9857 7.3853 115.8648 63.4137 68.7883 174.8325 42 I 3.8406 8.0580 124.7558 60.8899 36.7003 174.7521 43 K 4.1935 8.3114 126.8241 55.5294 32.6248 176.8626 44 I 4.2084 8.2780 125.3482 59.9512 37.8635 175.1927 45 V 4.3731 8.1779 125.0571 60.7061 33.6495 174.7039 46 K 4.2481 8.5373 126.1463 55.6657 33.2360 177.9222 47 A 4.3734 8.3664 129.7768 50.9584 17.2833 177.1138 48 I 4.0740 7.3686 124.4488 60.6827 37.5287 176.3528 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 8.33 4.55 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 7 G 7.48 4.97 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 8 K 8.30 5.03 0.00 1.79 1.69 0.00 2.04 0.00 0.00 2.51 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.45 7.81 9 C 8.25 4.89 0.00 2.93 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 10 W 8.68 4.30 0.00 3.13 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 0.00 0.00 0.00 0.00 11 K 6.84 3.49 0.00 1.19 1.35 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.54 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.21 7.81 12 T 6.98 4.20 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 1.16 0.00 0.00 13 F 8.37 4.25 0.00 2.86 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 14 T 8.16 4.64 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 1.27 0.00 0.00 15 D 9.19 5.72 0.00 2.60 2.66 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 16 E 8.64 4.83 0.00 1.94 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 2.35 2.30 0.00 17 Q 8.60 4.23 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 18 L 8.42 4.07 0.00 1.68 1.74 0.93 0.91 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 19 K 7.50 4.14 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.56 7.81 20 V 7.81 4.46 2.28 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 0.72 0.00 0.00 0.99 0.00 0.00 21 L 8.18 4.34 0.00 1.56 1.50 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.59 0.00 2.21 2.15 0.00 3.78 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 1.95 0.00 23 G 7.76 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.21 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 0.75 0.00 0.00 0.90 0.00 0.00 25 R 7.35 4.88 0.00 1.65 1.82 0.00 3.20 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 26 C 8.79 4.70 0.00 3.11 3.04 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 0.00 0.00 0.00 27 P 0.00 4.50 0.00 2.05 2.04 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 28 Y 8.55 3.70 0.00 2.99 2.99 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 29 C 7.75 4.74 0.00 3.13 3.12 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 30 G 7.64 3.83 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 0.00 0.00 0.00 31 Y 7.70 4.76 0.00 2.99 2.78 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 0.00 0.00 0.00 0.00 32 K 7.42 4.23 0.00 1.44 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.26 7.81 33 I 7.03 3.69 1.99 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.12 0.45 0.00 0.00 34 I 7.81 4.47 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.85 0.00 0.00 35 F 8.67 4.82 0.00 3.14 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 36 M 8.78 4.91 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 37 V 8.30 4.29 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 0.81 0.00 0.00 0.98 0.00 0.00 38 R 8.54 3.93 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 39 K 8.57 4.06 0.00 1.84 1.69 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.44 7.81 40 P 0.00 4.57 0.00 2.22 2.15 0.00 3.83 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 1.99 2.00 0.00 41 T 7.39 3.99 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 1.22 0.00 0.00 42 I 8.06 3.84 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 1.42 0.75 0.91 0.00 0.00 43 K 8.31 4.19 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.64 1.40 7.81 44 I 8.28 4.21 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 0.39 0.91 0.00 0.00 45 V 8.18 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 46 K 8.54 4.25 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 A 8.37 4.37 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 48 I 7.37 4.07 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 0.68 0.91 0.00 0.00