NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4273 8.2893 120.3261 54.7162 32.6402 175.0009 2 P 4.4581 0.0000 0.0000 62.5101 30.6745 173.1906 3 R 4.7176 8.9005 125.6349 55.0980 31.7720 175.5722 4 L 4.5591 8.0940 126.9103 53.1535 44.2312 175.4996 5 K 4.2262 8.5721 127.6155 56.6331 33.3871 175.9016 6 V 5.2883 7.9586 127.1355 60.1510 31.5861 174.1813 7 K 4.9681 8.1201 124.8392 55.1942 30.4339 177.6388 8 L 4.0839 8.2521 120.4974 56.8352 40.7609 180.3606 9 V 3.7939 9.6637 112.3992 60.7365 29.6951 170.4879 10 K 4.3691 7.3711 118.0913 54.8715 34.0901 175.8487 11 S 4.5168 8.3232 114.1133 57.9929 62.9330 171.4157 12 P 4.8084 0.0000 0.0000 64.0761 32.8434 175.1533 13 I 3.8360 7.7654 112.1462 61.3453 37.6388 175.0916 14 G 3.7349 8.7486 112.0183 45.6214 0.0000 172.5683 15 Y 4.8248 7.3967 116.0218 55.6739 40.3422 173.4733 16 P 4.8610 0.0000 0.0000 61.7401 34.5402 176.0069 17 K 3.8613 8.5380 120.2596 60.0653 31.8581 177.9671 18 D 4.3339 8.3140 116.0230 57.9559 41.3730 178.0608 19 Q 4.0740 7.9630 117.5159 59.1568 28.4607 180.0612 20 K 3.9651 7.7546 118.0124 59.3147 32.2122 179.1657 21 A 4.0172 8.6463 120.7953 54.6805 18.2216 179.2249 22 A 4.0693 8.0346 119.0736 54.1994 18.4270 179.1192 23 L 4.2073 9.0632 118.8670 57.6558 41.2984 178.9109 24 K 4.1118 7.9451 118.2861 58.3826 32.0382 178.8109 25 A 4.1326 7.7168 120.6827 54.9763 18.4637 179.3883 26 L 4.1320 7.6992 116.5928 55.5453 41.6483 178.2650 27 G 3.7907 7.1651 104.4652 46.1660 0.0000 173.8668 28 L 4.2066 7.8610 120.4817 53.4544 40.6093 176.8714 29 R 4.3737 9.4011 123.0881 56.3678 31.7506 174.0369 30 R 4.2996 8.5649 124.9811 54.5114 31.8327 173.3289 31 L 4.0153 8.0363 127.0606 57.2878 41.6544 177.0146 32 Q 4.0257 8.8370 123.2069 56.0816 25.8638 173.1474 33 Q 4.0683 7.8621 119.7599 56.0647 30.2983 174.4641 34 E 5.0299 8.3791 128.5963 54.4187 29.1565 174.0727 35 R 4.3659 8.2373 125.1488 54.8313 32.0379 176.0878 36 V 5.3568 8.3176 118.7595 59.1321 30.6722 174.6199 37 L 4.8614 7.6835 124.6606 51.6017 46.2369 174.3569 38 E 3.9386 8.5014 119.5653 56.3751 30.2119 176.6700 39 D 4.9822 8.6150 125.7171 53.2719 41.6658 175.4652 40 T 4.5589 8.1836 112.2445 59.4723 71.4749 172.3450 41 P 4.0621 0.0000 0.0000 66.3257 31.8057 178.2398 42 A 3.9844 8.1968 118.7148 55.6565 18.2270 179.3286 43 I 3.6170 7.5489 118.0107 65.7471 37.1759 177.9574 44 R 3.6963 8.5035 115.4547 59.5073 29.2831 179.4670 45 G 4.2325 7.6046 104.5129 48.2689 0.0000 174.6469 46 N 4.2760 7.5240 119.2845 55.6444 38.8940 176.9929 47 V 3.7015 7.9830 118.9624 67.1050 31.7355 177.7179 48 E 3.7626 8.9479 117.7707 60.2875 29.1502 179.2117 49 K 4.1833 7.8914 119.3137 58.5021 32.7985 179.2003 50 V 3.6583 8.3434 112.2718 64.3559 30.8809 178.9868 51 A 3.8904 7.8079 121.5879 54.5043 18.8564 179.2436 52 H 4.7362 8.2076 112.8979 55.3419 28.6998 174.5577 53 L 4.4120 7.4881 125.8838 56.9506 45.3256 175.2088 54 V 4.5302 7.3272 113.4369 60.0336 33.9196 174.6514 55 R 4.7837 7.9897 120.4397 54.9745 33.7870 174.0882 56 V 5.4920 8.2849 120.0207 61.0747 34.8310 172.1661 57 E 4.3508 9.3086 127.9296 54.6697 29.3188 176.0505 58 V 3.8520 7.3986 125.8192 63.2200 32.8628 175.9155 59 V 4.2272 7.8864 115.3511 60.8878 34.4505 174.0120 60 E 4.3396 8.5416 124.3749 56.2667 29.8167 176.1702 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 M 8.29 4.43 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.46 0.00 2.54 2.22 0.00 3.65 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 2.07 2.06 0.00 3 R 8.90 4.72 0.00 1.84 1.94 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 4 L 8.09 4.56 0.00 1.77 1.51 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.57 4.23 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.66 7.81 6 V 7.96 5.29 2.27 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 1.04 0.00 0.00 1.03 0.00 0.00 7 K 8.12 4.97 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.43 7.81 8 L 8.25 4.08 0.00 1.62 1.22 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.66 3.79 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 0.67 0.00 0.00 0.94 0.00 0.00 10 K 7.37 4.37 0.00 1.69 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 11 S 8.32 4.52 0.00 3.88 3.86 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 12 P 0.00 4.81 0.00 2.26 2.24 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 13 I 7.77 3.84 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.94 0.00 0.00 14 G 8.75 3.73 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 0.00 0.00 0.00 15 Y 7.40 4.82 0.00 2.96 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 16 P 0.00 4.86 0.00 2.29 2.20 0.00 4.25 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 17 K 8.54 3.86 0.00 1.83 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.47 7.81 18 D 8.31 4.33 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.96 4.07 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 20 K 7.75 3.97 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.73 7.81 21 A 8.65 4.02 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 22 A 8.03 4.07 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.06 4.21 0.00 1.87 1.90 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.95 4.11 0.00 1.82 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 25 A 7.72 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.13 0.00 1.83 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.17 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.21 0.00 1.65 1.65 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.40 4.37 0.00 1.72 1.84 0.00 3.30 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 30 R 8.56 4.30 0.00 1.93 1.96 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 31 L 8.04 4.02 0.00 1.67 1.63 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.84 4.03 0.00 2.14 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 33 Q 7.86 4.07 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 34 E 8.38 5.03 0.00 1.98 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 2.24 2.11 0.00 35 R 8.24 4.37 0.00 1.76 1.83 0.00 3.39 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 36 V 8.32 5.36 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 37 L 7.68 4.86 0.00 1.51 1.55 0.92 0.78 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 38 E 8.50 3.94 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 39 D 8.61 4.98 0.00 2.57 2.60 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 40 T 8.18 4.56 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 41 P 0.00 4.06 0.00 2.19 2.12 0.00 3.62 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 2.12 2.12 0.00 42 A 8.20 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.62 2.22 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 1.55 0.51 0.90 0.00 0.00 44 R 8.50 3.70 0.00 2.14 2.27 0.00 3.30 0.00 0.00 3.16 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 45 G 7.60 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 0.00 0.00 0.00 0.00 46 N 7.52 4.28 0.00 2.81 2.86 0.00 0.00 7.06 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 47 V 7.98 3.70 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 1.02 0.00 0.00 0.95 0.00 0.00 48 E 8.95 3.76 0.00 2.04 1.95 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 2.66 2.49 0.00 49 K 7.89 4.18 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 50 V 8.34 3.66 2.02 0.00 0.00 0.00 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 0.95 0.00 0.00 51 A 7.81 3.89 1.35 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 0.00 0.00 0.00 52 H 8.21 4.74 0.00 3.31 3.35 0.00 5.58 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.49 4.41 0.00 1.67 1.70 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.33 4.53 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 0.60 0.00 0.00 0.90 0.00 0.00 55 R 7.99 4.78 0.00 1.83 1.75 0.00 3.11 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 56 V 8.28 5.49 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 0.92 0.00 0.00 0.92 0.00 0.00 57 E 9.31 4.35 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 2.07 2.03 0.00 58 V 7.40 3.85 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 0.98 0.00 0.00 0.93 0.00 0.00 59 V 7.89 4.23 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 0.61 0.00 0.00 0.93 0.00 0.00 60 E 8.54 4.34 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00