NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.6543 8.4544 118.1664 56.4514 41.1966 177.1730 13 C 4.1431 5.7800 121.1236 57.7366 44.2915 170.2657 14 D 4.6104 9.8117 127.4759 55.6634 42.8659 176.2826 15 S 4.8409 8.6271 116.0972 56.9022 64.8914 172.8181 16 C 5.2534 8.6869 123.9067 54.8694 42.6859 172.4775 17 D 4.8966 8.9952 125.5604 52.9996 42.6562 173.7766 18 C 5.5634 8.5853 123.3311 55.0411 42.9550 174.2670 19 T 4.1290 8.5552 112.8782 61.4035 69.5061 175.2290 20 K 4.5043 8.1863 121.8506 55.0528 31.1210 175.7162 21 S 4.7718 7.5865 115.2658 56.3831 67.0071 174.0318 22 K 4.5011 8.3659 121.7668 53.9779 32.9365 175.1099 23 P 4.5705 0.0000 0.0000 61.4851 32.3669 174.1215 24 P 4.5917 0.0000 0.0000 62.9361 33.1962 175.0048 25 Q 5.2040 9.0156 121.2056 54.1709 30.4658 174.0283 26 C 5.5310 9.2264 122.1925 55.3627 42.6675 172.6958 27 H 5.4467 8.8743 120.8317 54.5365 33.4247 170.9983 28 C 5.4304 8.8066 122.5958 54.9944 45.0824 173.1827 29 A 4.4116 8.8060 126.9817 51.8729 19.5164 176.9101 30 N 4.2340 8.0936 114.0775 53.4527 38.8146 174.4985 31 I 4.3283 8.3234 125.0406 60.7573 37.8900 175.6013 32 R 4.6597 9.1254 126.4954 53.8741 33.9311 175.3766 33 L 4.3648 8.3221 122.8316 55.5436 42.2629 177.9156 34 N 4.5348 9.4572 125.6323 54.2636 39.8291 173.8161 35 S 4.9054 8.2523 110.8035 56.5034 67.8164 172.9806 36 C 4.6029 8.8833 115.1838 55.7476 41.0425 175.7611 37 H 4.6767 8.9295 116.1657 54.7287 32.1902 171.9312 38 S 4.2998 8.6958 113.8236 60.4973 63.7272 174.1451 39 A 4.3390 7.9752 124.3349 51.4890 17.5527 174.8640 40 C 5.9923 7.7096 117.3387 57.5371 46.2828 173.7626 41 K 4.4215 9.3352 125.4703 56.4130 32.6302 177.1279 42 S 4.5874 7.5740 114.5810 56.7373 63.4592 170.6891 43 C 5.3450 8.4529 122.3922 54.1639 46.4616 172.1315 44 I 4.6844 8.5532 120.2952 59.4812 39.6009 174.0556 45 C 5.5736 8.5642 121.7694 55.1551 43.8099 173.9949 46 T 4.1855 8.3589 112.1445 61.2074 69.4486 175.1292 47 R 4.4946 8.0571 121.2973 55.0338 29.4091 174.5469 48 S 4.6654 7.3916 114.9022 56.6125 66.1126 173.6109 49 M 4.7297 8.0684 118.6274 53.1643 32.6013 172.7650 50 P 4.6051 0.0000 0.0000 61.4853 33.0062 175.9180 51 G 4.0582 8.2416 105.9464 45.4279 0.0000 173.5516 52 K 4.7433 8.7850 123.3110 55.5458 33.0996 175.0004 53 C 5.3983 9.2628 123.8106 55.0814 44.3375 173.2866 54 R 5.0483 8.8453 122.3426 54.6928 33.1223 173.1513 55 C 5.0103 8.7115 125.9839 55.0715 44.7572 173.0348 56 L 4.4998 9.1104 126.4049 55.1643 41.6969 177.4914 57 D 4.4500 7.8531 119.5940 54.8807 41.3350 175.3228 58 T 5.1421 8.2393 118.1028 61.9356 71.3270 173.2022 59 D 4.7686 8.8279 125.2566 52.5145 44.9646 175.4696 60 D 5.4442 8.7637 123.4898 50.0050 39.3723 175.0008 61 F 5.6100 7.0767 118.0887 55.6788 40.4265 174.9148 62 C 4.7236 7.7442 122.2803 55.0953 42.1415 172.3218 63 Y 4.6859 7.6895 122.2345 57.3950 41.7452 175.1764 64 K 4.4256 8.4979 120.9002 56.8392 35.6763 176.4418 65 P 4.3723 0.0000 0.0000 65.0331 27.7623 176.0712 66 C 4.2200 8.1565 119.5799 57.1282 42.3005 174.4196 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 12 C 8.45 4.65 0.00 2.95 2.59 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 0.00 0.00 0.00 0.00 13 C 5.78 4.14 0.00 2.93 3.02 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 14 D 9.81 4.61 0.00 2.87 2.70 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 0.00 0.00 0.00 0.00 15 S 8.63 4.84 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.25 0.00 2.89 2.84 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 17 D 9.00 4.90 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.59 5.56 0.00 2.86 2.96 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 19 T 8.56 4.13 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 20 K 8.19 4.50 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.43 7.81 21 S 7.59 4.77 0.00 4.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 4.50 0.00 1.74 1.78 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 23 P 0.00 4.57 0.00 1.76 1.77 0.00 3.71 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 1.99 1.77 0.00 24 P 0.00 4.59 0.00 2.26 2.42 0.00 3.44 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 25 Q 9.02 5.20 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 26 C 9.23 5.53 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.87 5.45 0.00 3.24 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.81 5.43 0.00 3.01 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 29 A 8.81 4.41 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 30 N 8.09 4.23 0.00 2.74 2.82 0.00 0.00 7.00 7.45 0.00 0.00 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 I 8.32 4.33 1.88 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 1.35 0.77 0.91 0.00 0.00 32 R 9.13 4.66 0.00 1.82 1.78 0.00 3.10 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 1.55 1.55 0.00 33 L 8.32 4.36 0.00 1.77 1.55 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.46 4.53 0.00 2.84 2.90 0.00 0.00 7.02 7.30 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 35 S 8.25 4.91 0.00 3.86 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 36 C 8.88 4.60 0.00 3.09 2.58 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 0.00 0.00 0.00 0.00 37 H 8.93 4.68 0.00 3.14 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.70 4.30 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.34 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 40 C 7.71 5.99 0.00 2.94 2.96 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 41 K 9.34 4.42 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.34 7.81 42 S 7.57 4.59 0.00 3.84 3.66 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 43 C 8.45 5.35 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 44 I 8.55 4.68 1.88 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 1.24 0.51 0.92 0.00 0.00 45 C 8.56 5.57 0.00 2.82 2.97 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 46 T 8.36 4.19 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 47 R 8.06 4.49 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 48 S 7.39 4.67 0.00 4.00 3.99 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 49 M 8.07 4.73 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 50 P 0.00 4.61 0.00 2.08 1.98 0.00 3.72 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 2.02 2.07 0.00 51 G 8.24 4.06 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 0.00 0.00 0.00 52 K 8.78 4.74 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 53 C 9.26 5.40 0.00 2.97 2.96 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 54 R 8.85 5.05 0.00 1.84 1.72 0.00 3.09 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 55 C 8.71 5.01 0.00 3.07 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 56 L 9.11 4.50 0.00 1.71 1.67 1.01 1.32 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 57 D 7.85 4.45 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 58 T 8.24 5.14 4.22 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 1.27 0.00 0.00 59 D 8.83 4.77 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.76 5.44 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.08 5.61 0.00 3.12 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 62 C 7.74 4.72 0.00 2.79 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 63 Y 7.69 4.69 0.00 3.10 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 64 K 8.50 4.43 0.00 1.80 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 65 P 0.00 4.37 0.00 2.11 2.33 0.00 3.74 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 66 C 8.16 4.22 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00