NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4380 8.1627 118.3255 55.2835 33.4851 173.3865 2 Q 4.7767 8.2275 120.9714 53.0088 31.0527 172.7565 3 I 4.6077 9.0103 119.5709 59.0189 42.3515 173.2671 4 F 5.3297 8.8267 121.1531 55.6894 41.9184 174.9280 5 V 4.7449 9.0324 123.3938 61.1271 33.8758 173.8622 6 K 4.9391 9.1250 130.3580 55.0130 34.0766 175.9274 7 T 4.8037 8.6461 122.7340 60.5541 68.7900 173.5598 8 L 4.6946 8.2763 121.2370 55.0528 41.8379 177.5238 9 T 4.4718 7.4897 103.2556 60.6903 69.6213 174.2881 10 G 4.0464 8.4030 109.0954 45.1183 0.0000 173.4646 11 K 4.4819 7.9884 121.6421 55.4904 34.1371 175.0885 12 T 5.1792 8.4988 122.9775 61.7172 70.9882 173.3658 13 I 4.8097 8.9325 119.7975 59.2312 41.1834 174.2632 14 T 5.1566 8.4847 112.7624 60.0603 71.0387 173.4169 15 L 4.8397 8.6976 123.4466 52.9149 45.9895 174.8735 16 E 4.9855 8.6686 122.6742 54.9375 30.7172 175.2495 17 V 4.7405 8.7503 119.5970 59.9598 36.3941 174.3967 18 E 4.6933 9.3362 121.0404 53.9518 32.1372 175.9005 19 P 4.1444 0.0000 0.0000 65.7703 31.5169 178.1996 20 S 4.4335 7.8748 109.5436 58.6710 63.7761 173.9948 21 D 4.4506 8.0772 123.6250 54.5044 41.2686 176.2858 22 T 4.6582 8.2350 113.9472 61.2347 71.1575 175.7330 23 I 3.6798 8.5065 123.4514 64.6413 37.2043 178.2809 24 E 3.9234 8.2283 120.0281 59.5024 29.4099 178.7503 25 N 4.3338 8.1667 116.3642 56.1967 38.5629 177.4789 26 V 3.5525 7.9402 119.6909 66.1092 31.5511 178.1712 27 K 4.3717 8.6437 119.5046 58.9032 31.7885 179.1640 28 A 3.9846 7.9778 120.8327 55.0698 18.1444 179.8641 29 K 3.9312 8.0926 117.0805 59.6219 32.0546 179.6799 30 I 3.7189 7.9775 120.2527 64.2747 36.9225 178.1452 31 Q 4.0679 8.3313 120.6223 59.4375 28.6472 178.0852 32 D 4.3480 8.0719 118.7482 57.2124 40.8928 178.5115 33 K 4.2347 7.7091 117.5930 58.1843 32.6610 178.1310 34 E 4.5863 8.5200 116.2257 55.1232 30.7128 177.1582 35 G 3.8702 8.1108 106.7090 45.7498 0.0000 173.2005 36 I 4.1719 7.4897 120.4016 59.0276 38.1318 174.1400 37 P 4.3883 0.0000 0.0000 61.8569 32.1325 175.4971 38 P 4.2808 0.0000 0.0000 65.8322 31.3780 178.2366 39 D 4.4726 8.0404 115.6827 55.4823 39.6232 176.7636 40 Q 4.6880 8.1123 117.6553 55.6172 29.5367 174.7994 41 Q 4.8297 7.8897 118.5040 54.5863 31.0185 174.9101 42 R 4.8390 8.9875 121.8475 54.4502 33.7348 174.3708 43 L 5.1497 8.5412 123.4044 53.2410 44.6146 175.4193 44 I 5.1104 8.7002 122.9567 59.6160 40.9572 174.3517 45 F 5.0743 8.9576 127.4016 57.2109 43.3352 173.8462 46 A 3.3019 8.6856 126.0534 53.1584 15.9565 178.2057 47 G 3.9234 8.4158 105.7199 46.7856 0.0000 174.1449 48 K 4.6939 7.7653 118.1053 54.4169 35.7086 175.4292 49 Q 4.6465 8.4416 119.0897 56.0399 29.2704 175.9619 50 L 4.3499 8.7039 124.0427 54.2488 43.1525 176.0780 51 E 4.5557 8.9230 121.7727 55.0317 31.1363 177.0641 52 D 4.3731 9.1114 123.7856 57.5519 41.0368 178.5479 53 G 3.8852 7.9613 104.3276 45.9653 0.0000 173.7141 54 R 4.3705 7.9640 120.1055 55.4785 30.2621 175.8464 55 T 4.9770 8.3436 110.3031 59.7872 71.2233 175.9379 56 L 4.1779 8.5493 122.0909 58.0192 41.8038 180.4374 57 S 4.1745 8.1510 113.0568 61.0977 63.1065 176.0617 58 D 4.1250 7.6979 120.0547 56.8967 40.4992 176.7926 59 Y 4.5863 7.1808 114.1782 56.8818 38.0799 174.8349 60 N 4.1661 8.2250 117.2795 54.3467 38.0281 174.0348 61 I 3.6486 7.5952 117.7024 60.5667 37.4855 175.4518 62 Q 4.7216 8.5427 123.8436 53.2849 31.5075 174.4572 63 K 4.0707 8.4282 116.4486 58.9422 32.4702 176.6724 64 E 3.7545 9.4187 121.0164 56.6799 27.8812 174.8519 65 S 4.5691 7.8553 115.7563 59.1218 64.2989 173.1370 66 T 5.2277 8.6765 118.1530 62.0630 70.6510 173.8591 67 L 5.0795 9.3574 126.0766 53.6240 44.8824 175.1235 68 H 5.4241 8.9142 117.8164 54.1451 31.8426 173.3830 69 L 5.1403 8.9356 123.3956 53.3592 44.6040 175.3737 70 V 4.5228 8.8385 125.6848 61.0884 35.0351 173.8344 71 L 5.1126 8.4561 125.0418 53.1182 43.8293 176.0527 72 R 4.4254 8.9784 123.9206 54.6543 32.1644 175.7460 73 L 4.2715 8.3991 125.4310 54.8671 41.8811 176.9179 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 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 2 Q 8.23 4.78 0.00 2.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.92 2.37 0.00 3 I 9.01 4.61 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.78 0.00 0.00 4 F 8.83 5.33 0.00 3.07 2.91 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 0.00 0.00 0.00 5 V 9.03 4.74 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.13 4.94 0.00 1.79 1.43 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 7 T 8.65 4.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 8 L 8.28 4.69 0.00 1.66 1.66 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.49 4.47 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 10 G 8.40 4.05 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 0.00 0.00 0.00 11 K 7.99 4.48 0.00 1.86 1.68 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.47 7.81 12 T 8.50 5.18 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 1.24 0.00 0.00 13 I 8.93 4.81 1.90 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 1.31 1.37 0.99 0.00 0.00 14 T 8.48 5.16 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 1.51 0.00 0.00 15 L 8.70 4.84 0.00 1.49 1.50 0.90 0.93 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 16 E 8.67 4.99 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 8.75 4.74 2.03 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 0.69 0.00 0.00 0.89 0.00 0.00 18 E 9.34 4.69 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 19 P 0.00 4.14 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.87 4.43 0.00 3.96 3.95 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 D 8.08 4.45 0.00 2.85 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 22 T 8.24 4.66 4.46 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 1.21 0.00 0.00 23 I 8.51 3.68 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.19 0.93 0.00 0.00 24 E 8.23 3.92 0.00 2.06 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 2.31 2.37 0.00 25 N 8.17 4.33 0.00 2.93 2.84 0.00 0.00 6.68 7.05 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 26 V 7.94 3.55 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 1.01 0.00 0.00 0.98 0.00 0.00 27 K 8.64 4.37 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.53 7.81 28 A 7.98 3.98 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 29 K 8.09 3.93 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.61 7.81 30 I 7.98 3.72 2.15 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 1.41 0.75 0.92 0.00 0.00 31 Q 8.33 4.07 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 8.07 4.35 0.00 2.86 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 33 K 7.71 4.23 0.00 1.67 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.61 7.81 34 E 8.52 4.59 0.00 1.95 1.97 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 2.37 2.44 0.00 35 G 8.11 3.87 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 0.00 0.00 0.00 36 I 7.49 4.17 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 1.42 0.77 0.92 0.00 0.00 37 P 0.00 4.39 0.00 2.33 1.97 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.04 4.47 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.69 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 41 Q 7.89 4.83 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 42 R 8.99 4.84 0.00 1.67 1.79 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.54 5.15 0.00 1.57 1.54 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.70 5.11 1.93 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 1.28 1.33 0.90 0.00 0.00 45 F 8.96 5.07 0.00 2.96 2.62 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 0.00 0.00 0.00 0.00 46 A 8.69 3.30 1.12 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 0.00 0.00 47 G 8.42 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 48 K 7.77 4.69 0.00 1.96 1.86 0.00 1.24 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.66 7.81 49 Q 8.44 4.65 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.70 4.35 0.00 1.42 1.43 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.92 4.56 0.00 2.06 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 2.32 2.37 0.00 52 D 9.11 4.37 0.00 2.75 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 53 G 7.96 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 0.00 0.00 0.00 54 R 7.96 4.37 0.00 2.16 1.63 0.00 3.11 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 55 T 8.34 4.98 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 56 L 8.55 4.18 0.00 1.85 1.69 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.17 0.00 3.98 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 0.00 58 D 7.70 4.13 0.00 2.48 2.25 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 59 Y 7.18 4.59 0.00 2.93 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 60 N 8.22 4.17 0.00 2.87 2.96 0.00 0.00 7.13 8.60 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 61 I 7.60 3.65 1.81 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 0.67 0.00 0.00 62 Q 8.54 4.72 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 63 K 8.43 4.07 0.00 1.85 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.42 3.75 0.00 2.19 2.40 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 2.37 2.40 0.00 65 S 7.86 4.57 0.00 3.81 3.88 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 66 T 8.68 5.23 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 67 L 9.36 5.08 0.00 1.56 1.59 0.87 1.02 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 68 H 8.91 5.42 0.00 3.15 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.94 5.14 0.00 1.73 1.50 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.84 4.52 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 1.02 0.00 0.00 0.94 0.00 0.00 71 L 8.46 5.11 0.00 1.54 1.56 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.98 4.43 0.00 1.80 1.79 0.00 3.24 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 73 L 8.40 4.27 0.00 1.67 1.55 0.92 0.90 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