NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.1814 0.0000 0.0000 63.7080 31.4881 173.1575 17 S 3.3615 8.3231 117.2522 59.0827 60.1454 169.6541 18 R 4.7656 8.1639 123.8204 53.7333 35.6037 175.4577 19 K 4.0927 7.7696 116.7787 57.4572 36.9015 173.6384 20 A 4.5218 8.3579 120.2993 51.1379 20.4457 176.8547 21 K 4.5615 8.1576 119.0824 55.1364 33.4941 178.5459 22 V 3.4713 8.3386 122.8054 65.5733 31.0013 178.5463 23 K 4.1747 7.9927 118.8490 59.6123 32.0956 178.0322 24 A 4.2775 7.6390 117.7323 53.8952 18.5672 178.6175 25 T 4.1936 7.3313 111.6093 63.3576 69.0130 173.8440 26 L 4.9073 7.3256 119.9669 52.7616 45.9501 177.0205 27 G 4.1356 8.0287 108.4130 45.3740 0.0000 175.7224 28 E 4.1475 8.9279 125.6414 56.2326 28.2144 175.5170 29 F 5.0074 8.1186 119.2082 54.3215 40.9938 174.4460 30 D 4.1958 8.7423 123.1213 54.0911 41.3985 175.3507 31 L 4.3856 8.0431 127.5056 54.9192 42.0014 176.4340 32 R 4.3687 8.3762 117.2772 56.1589 31.6569 174.7661 33 D 4.1286 8.0513 116.9937 54.3543 40.3584 175.3930 34 Y 4.5249 7.8515 122.9943 57.7400 37.8877 176.4460 35 R 4.5258 8.2802 118.7906 56.4418 32.7020 175.6391 36 N 4.8268 7.7793 118.1986 52.2367 38.3955 176.0163 37 V 3.5496 7.7189 121.9932 66.4791 32.2389 176.2790 38 E 3.9903 8.3939 116.8702 58.8810 28.9784 178.9203 39 V 3.9573 8.2024 119.3837 63.6748 32.4417 177.9945 40 L 4.2203 7.9730 119.8824 57.2348 41.3861 179.1666 41 K 3.7697 7.9757 118.5999 60.4587 31.9572 178.8554 42 R 3.6735 7.6951 117.6957 58.6673 30.2117 177.1927 43 F 4.6461 9.0479 116.3361 56.9689 38.9785 174.9397 44 L 5.2352 7.8750 120.9511 52.7261 44.5562 177.9712 45 S 4.5291 8.3296 116.5847 58.0073 65.0018 173.3264 46 E 4.0476 8.9224 118.4691 60.4710 29.0927 177.8369 47 T 4.1833 7.7231 114.4267 62.9345 69.1556 175.6965 48 G 3.3869 8.7334 111.4584 47.7516 0.0000 174.2534 49 K 3.8996 7.4021 119.0413 56.1372 32.5990 175.4082 50 I 4.4937 8.1829 123.9648 60.6753 37.8535 175.9289 51 L 4.2271 8.7504 127.8621 54.1010 42.3092 175.6114 52 P 4.3755 0.0000 0.0000 62.7002 32.3296 177.4576 53 R 4.0703 9.0259 122.2629 59.7696 30.0849 179.2644 54 R 4.1858 8.0037 108.1554 57.2065 29.2919 176.8701 55 R 4.4831 8.6729 117.5305 58.2824 34.0817 176.8994 56 T 4.2344 8.3892 105.9176 61.7384 68.9738 174.8469 57 G 4.0184 8.2817 108.7399 46.4480 0.0000 173.3265 58 L 4.5337 7.6347 119.2166 53.9105 43.0982 176.5976 59 S 4.9282 8.8035 114.7036 57.2703 66.3012 175.3562 60 G 3.9158 8.2408 108.5885 48.0043 0.0000 176.0850 61 K 3.9451 7.8114 121.9180 58.9236 32.7015 178.1763 62 E 3.9622 7.8343 118.6918 59.6371 29.4272 178.8544 63 Q 3.8991 8.7353 119.2865 59.6960 28.9301 179.2796 64 R 3.9437 7.8952 117.5686 58.9574 30.2589 178.0813 65 I 3.9915 7.9264 120.0879 63.8270 37.5317 177.7079 66 L 4.4053 8.1242 121.6688 57.9179 41.6987 177.7928 67 A 3.9528 8.1150 120.7391 55.3368 18.1991 179.4686 68 K 3.9158 7.9200 114.8902 59.4245 32.1661 179.6661 69 T 3.9570 8.0825 110.1050 65.2612 68.5106 176.1247 70 I 3.7550 7.9849 122.7523 63.7162 36.8881 178.1593 71 K 3.6447 8.1048 120.6218 59.7789 32.2603 179.4280 72 R 3.9381 7.9501 117.8901 59.2540 29.9852 178.6978 73 A 4.0723 7.6876 120.2748 55.4056 18.1577 179.7225 74 R 4.0700 7.9181 116.6373 57.9785 29.7820 178.2663 75 I 4.3728 7.8875 119.6208 62.6697 37.8213 176.9922 76 L 4.4771 7.7988 116.5158 54.0663 41.5970 176.7196 77 G 4.0306 7.5593 105.6108 46.8412 0.0000 174.7976 78 L 4.5521 8.2101 119.2528 54.4170 42.7988 177.0609 79 L 4.8019 7.2972 118.3488 51.9700 45.6736 173.6799 80 P 4.6241 0.0000 0.0000 62.4527 32.2223 176.6518 81 F 4.1054 9.0226 120.5372 60.7203 39.2097 175.4899 82 T 4.5895 7.4472 111.0695 61.1428 69.7792 171.4770 83 E 4.8224 8.4703 124.7346 54.6529 33.6537 174.9207 84 K 4.4281 8.2943 118.4831 54.9157 33.8421 176.6944 85 L 4.3225 8.1571 123.9450 53.5451 41.6462 176.5831 86 V 3.6572 8.1451 126.1796 63.5740 32.1110 174.8140 87 R 3.7003 8.5340 125.6728 56.3066 26.6791 176.3007 88 K 4.1493 8.1626 121.2526 56.2489 32.5285 175.8321 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 16 P 0.00 4.18 0.00 2.20 2.17 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 17 S 8.32 3.36 0.00 4.05 3.89 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 0.00 0.00 0.00 18 R 8.16 4.77 0.00 1.77 1.74 0.00 3.54 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 19 K 7.77 4.09 0.00 1.73 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.12 7.81 20 A 8.36 4.52 1.22 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 0.00 0.00 21 K 8.16 4.56 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.38 7.81 22 V 8.34 3.47 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.80 0.00 0.00 23 K 7.99 4.17 0.00 2.18 1.86 0.00 1.99 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.70 7.81 24 A 7.64 4.28 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 25 T 7.33 4.19 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 1.14 0.00 0.00 26 L 7.33 4.91 0.00 1.52 1.52 0.76 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.15 0.00 1.95 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 2.30 2.37 0.00 29 F 8.12 5.01 0.00 3.13 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 30 D 8.74 4.20 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.39 0.00 1.27 1.46 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.38 4.37 0.00 1.68 1.89 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 33 D 8.05 4.13 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 4.52 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.28 4.53 0.00 1.76 1.94 0.00 3.18 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 0.00 36 N 7.78 4.83 0.00 2.82 2.77 0.00 0.00 7.04 7.59 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 37 V 7.72 3.55 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 1.10 0.00 0.00 1.02 0.00 0.00 38 E 8.39 3.99 0.00 2.18 2.21 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 2.37 2.33 0.00 39 V 8.20 3.96 2.01 0.00 0.00 0.00 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 0.60 0.00 0.00 40 L 7.97 4.22 0.00 1.77 1.85 0.97 0.95 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 41 K 7.98 3.77 0.00 1.99 2.11 0.00 1.32 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.48 7.81 42 R 7.70 3.67 0.00 1.34 1.62 0.00 3.12 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 43 F 9.05 4.65 0.00 3.21 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 44 L 7.88 5.24 0.00 1.67 1.69 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.33 4.53 0.00 3.98 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 46 E 8.92 4.05 0.00 1.96 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 0.00 2.31 2.39 0.00 47 T 7.72 4.18 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 48 G 8.73 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.40 3.90 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 50 I 8.18 4.49 1.89 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 1.36 0.47 0.94 0.00 0.00 51 L 8.75 4.23 0.00 1.69 1.66 0.94 1.39 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 52 P 0.00 4.38 0.00 2.09 1.99 0.00 3.65 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 2.13 2.14 0.00 53 R 9.03 4.07 0.00 1.85 2.03 0.00 3.34 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.61 0.00 54 R 8.00 4.19 0.00 1.93 2.05 0.00 2.99 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 1.61 1.67 0.00 55 R 8.67 4.48 0.00 1.95 1.93 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 56 T 8.39 4.23 4.74 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 1.50 0.00 0.00 57 G 8.28 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.63 4.53 0.00 1.74 1.67 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.80 4.93 0.00 4.01 3.97 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 60 G 8.24 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 0.00 0.00 0.00 61 K 7.81 3.95 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 62 E 7.83 3.96 0.00 2.28 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 2.29 2.31 0.00 63 Q 8.74 3.90 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 64 R 7.90 3.94 0.00 1.91 2.18 0.00 3.30 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 65 I 7.93 3.99 1.93 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 1.61 0.83 0.94 0.00 0.00 66 L 8.12 4.41 0.00 1.51 1.70 -0.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.11 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.92 3.92 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 69 T 8.08 3.96 4.29 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 1.35 0.00 0.00 70 I 7.98 3.75 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.85 0.00 0.00 71 K 8.10 3.64 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.71 7.81 72 R 7.95 3.94 0.00 2.06 1.74 0.00 3.17 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 73 A 7.69 4.07 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 74 R 7.92 4.07 0.00 1.50 1.01 0.00 2.76 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.00 75 I 7.89 4.37 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 0.93 0.00 0.00 76 L 7.80 4.48 0.00 1.64 1.73 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.56 4.03 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 78 L 8.21 4.55 0.00 1.65 1.75 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.30 4.80 0.00 1.57 1.42 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.62 0.00 2.22 2.08 0.00 3.75 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 1.99 1.99 0.00 81 F 9.02 4.11 0.00 3.04 3.18 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 0.00 0.00 0.00 0.00 82 T 7.45 4.59 4.33 0.00 0.00 0.00 0.00 0.00 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 83 E 8.47 4.82 0.00 2.07 1.83 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 2.22 2.25 0.00 84 K 8.29 4.43 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 85 L 8.16 4.32 0.00 1.58 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.15 3.66 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 0.85 0.00 0.00 0.93 0.00 0.00 87 R 8.53 3.70 0.00 1.98 1.95 0.00 3.20 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 88 K 8.16 4.15 0.00 1.64 1.61 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.45 7.81