NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1937 8.1801 122.4907 54.6627 44.1028 177.1144 2 A 3.7711 7.8998 121.8393 51.7206 18.5825 175.5614 3 A 4.3586 8.4513 126.4934 51.7482 21.4072 174.6334 4 V 4.7379 8.1709 122.9157 61.7103 31.3729 173.5008 5 S 4.6673 7.7562 115.1378 57.3247 66.4425 172.9428 6 V 4.6240 7.9350 111.8351 61.2540 35.6556 174.8720 7 D 4.8997 8.3712 116.3160 54.2791 41.9695 176.5182 8 C 5.3173 7.8197 115.1089 56.8339 42.1405 175.6248 9 S 4.6530 7.8495 114.3214 56.0429 61.4541 172.9911 10 E 4.7376 7.5687 122.6185 56.8584 34.4123 175.6157 11 Y 3.9263 7.6601 115.3695 57.2588 38.4543 174.0778 12 P 5.2713 0.0000 0.0000 61.4381 32.7466 175.7185 13 K 4.2763 8.3445 120.6703 54.7897 33.2725 175.8546 14 P 4.1963 0.0000 0.0000 65.0690 31.6962 175.5347 15 A 4.3109 6.7954 119.6971 52.2210 22.3829 173.7599 16 C 4.8958 8.2550 117.1773 56.8877 46.1740 173.1606 17 T 4.4919 8.1836 112.2483 60.6056 68.1189 174.0761 18 L 4.3319 7.2350 126.3530 55.8573 49.8100 176.5623 19 E 4.1576 8.0008 122.3925 56.2468 30.3124 175.9710 20 Y 4.1386 8.6195 118.0266 60.1128 39.1892 176.7079 21 R 4.0334 7.8928 115.0454 56.3368 29.8428 174.2912 22 P 4.7081 0.0000 0.0000 61.9142 34.4138 173.9693 23 L 5.6973 8.0704 118.6210 52.0497 46.2615 174.0715 24 C 5.0147 8.3981 118.9855 55.0326 46.3606 174.9128 25 G 4.6469 9.1424 114.0354 46.2884 0.0000 172.5762 26 S 5.0798 8.4914 114.5926 58.4305 62.5795 175.2699 27 D 4.8062 7.8057 114.9609 52.6438 40.3135 174.7694 28 N 4.3416 8.5546 114.3633 54.5745 35.7509 173.9934 29 K 4.5466 7.7162 115.7396 54.9456 36.3422 176.4556 30 T 4.5985 8.4087 120.9507 63.5688 70.0587 173.5347 31 Y 4.5913 8.4313 121.1119 56.2582 40.9189 177.0294 32 G 3.6806 9.1739 112.7856 46.9551 0.0000 172.0889 33 N 4.7332 7.5681 116.1021 50.6064 39.9445 175.3118 34 K 4.0945 8.5602 116.8855 59.4017 31.8434 180.3184 35 C 4.4441 8.1075 116.8690 60.0484 34.8582 175.3244 36 N 4.3109 8.4300 117.3492 55.7845 38.2498 176.6113 37 F 2.3936 7.9856 122.8720 61.0223 39.2608 176.3841 38 C 3.5359 8.2551 116.4123 59.3756 34.1592 176.0221 39 N 4.1004 7.9666 118.1965 55.9930 37.7979 177.2200 40 A 3.9207 6.9899 121.5631 54.7123 18.6417 179.6691 41 V 3.3625 6.9118 116.7605 66.2705 31.7549 178.7841 42 V 3.6092 7.7852 112.3000 64.3964 31.0972 178.4582 43 E 3.9885 7.7838 117.4678 59.3463 29.3558 179.2630 44 S 4.1595 7.6952 113.3353 58.9540 63.3317 173.6308 45 N 3.9607 8.3043 119.2975 54.4664 37.2177 172.5462 46 G 3.7776 8.2614 109.8826 45.7215 0.0000 171.8592 47 T 4.2355 8.1227 121.7777 62.3097 73.4611 173.9642 48 L 3.7703 7.5998 122.6357 52.9852 42.4043 178.4979 49 T 3.4427 7.7515 115.5500 62.5650 68.4899 170.5857 50 L 4.4401 8.2877 123.7031 53.8054 42.5812 176.1232 51 S 4.2426 8.7213 121.8889 60.2357 62.8288 174.1111 52 H 4.5206 7.2111 115.3487 54.9889 29.5319 173.9438 53 F 4.1907 8.7632 120.8005 57.9521 39.8451 175.3837 54 G 3.9590 8.5473 111.3238 44.3727 0.0000 173.3621 55 K 4.4955 8.2229 118.5854 56.0441 32.7615 178.0915 56 C 4.5539 8.5327 118.5653 57.1790 44.6268 172.9363 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 L 8.18 4.19 0.00 1.62 1.76 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.90 3.77 1.29 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 0.00 0.00 0.00 3 A 8.45 4.36 1.23 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 0.00 0.00 0.00 4 V 8.17 4.74 2.17 0.00 0.00 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 1.01 0.00 0.00 5 S 7.76 4.67 0.00 4.01 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 6 V 7.93 4.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 7 D 8.37 4.90 0.00 2.68 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 8 C 7.82 5.32 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.65 0.00 3.88 3.85 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 10 E 7.57 4.74 0.00 1.83 1.90 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 2.00 2.04 0.00 11 Y 7.66 3.93 0.00 3.20 2.87 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 12 P 0.00 5.27 0.00 2.16 2.11 0.00 3.35 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 13 K 8.34 4.28 0.00 1.74 1.81 0.00 1.06 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.33 7.81 14 P 0.00 4.20 0.00 2.19 2.15 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 15 A 6.80 4.31 1.21 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 0.00 0.00 16 C 8.25 4.90 0.00 2.92 2.94 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 17 T 8.18 4.49 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 18 L 7.24 4.33 0.00 1.62 1.54 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 4.16 0.00 1.99 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 2.36 2.40 0.00 20 Y 8.62 4.14 0.00 3.00 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 21 R 7.89 4.03 0.00 1.88 2.04 0.00 3.09 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 22 P 0.00 4.71 0.00 2.07 1.91 0.00 3.63 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 2.15 2.18 0.00 23 L 8.07 5.70 0.00 1.26 1.03 0.50 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.40 5.01 0.00 2.90 2.87 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 25 G 9.14 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 5.08 0.00 3.94 3.92 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 D 7.81 4.81 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.34 0.00 2.91 2.99 0.00 0.00 6.83 7.62 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 29 K 7.72 4.55 0.00 1.19 1.30 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.67 7.81 30 T 8.41 4.60 4.16 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 0.00 0.00 1.23 0.00 0.00 31 Y 8.43 4.59 0.00 2.91 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 32 G 9.17 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.57 4.73 0.00 2.94 3.14 0.00 0.00 6.30 6.58 0.00 0.00 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 K 8.56 4.09 0.00 1.88 1.93 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.60 7.81 35 C 8.11 4.44 0.00 3.18 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 36 N 8.43 4.31 0.00 3.12 3.21 0.00 0.00 6.90 8.06 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 37 F 7.99 2.39 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.26 3.54 0.00 1.64 2.11 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 39 N 7.97 4.10 0.00 2.75 2.85 0.00 0.00 6.74 7.56 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 40 A 6.99 3.92 1.07 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 0.00 0.00 41 V 6.91 3.36 1.76 0.00 0.00 0.00 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 -0.10 0.00 0.00 42 V 7.79 3.61 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 0.90 0.00 0.00 0.99 0.00 0.00 43 E 7.78 3.99 0.00 2.13 1.98 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 2.36 2.35 0.00 44 S 7.70 4.16 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.30 3.96 0.00 2.90 2.94 0.00 0.00 7.13 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.26 3.78 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 0.00 0.00 0.00 47 T 8.12 4.24 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 1.24 0.00 0.00 48 L 7.60 3.77 0.00 1.61 1.40 1.16 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.75 3.44 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 1.25 0.00 0.00 50 L 8.29 4.44 0.00 0.82 1.36 -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.72 4.24 0.00 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.21 4.52 0.00 3.37 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.76 4.19 0.00 2.94 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 54 G 8.55 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.22 4.50 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.50 7.81 56 C 8.53 4.55 0.00 2.94 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