NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 5.1772 7.9900 120.3751 54.9388 44.3675 176.3285 2 Q 4.0360 8.6374 129.1363 56.1820 30.7978 173.2915 3 L 4.7432 9.5153 128.8396 52.9100 45.1217 175.1614 4 F 5.0340 8.3369 121.5507 56.2308 41.0525 174.7591 5 I 4.5760 8.6559 124.9495 59.3065 39.6275 174.5831 6 K 5.0454 8.9692 127.4688 54.8023 34.2632 176.4648 7 T 5.0867 8.5854 115.4145 59.8050 70.9231 175.6562 8 L 4.2808 8.5522 120.7567 56.7048 41.9491 178.1222 9 T 4.1440 7.8833 107.5101 61.7576 68.9444 175.4691 10 G 3.8758 7.8647 109.1463 45.3967 0.0000 173.1904 11 K 4.3587 7.8259 122.5051 55.9599 33.2826 175.6866 12 T 5.1721 8.5846 124.1962 62.1940 70.6522 173.6223 13 F 5.1669 8.6126 119.1001 55.7653 42.2565 172.8027 14 T 5.5382 8.7080 112.6033 59.5101 69.9299 173.1498 15 V 4.6333 8.1097 119.3042 59.5253 36.1830 173.6778 16 E 4.9758 8.6711 123.5231 55.1171 31.1115 174.7321 17 M 4.9497 9.3192 125.6550 53.7945 37.1901 173.8079 18 E 4.8683 9.3255 119.0714 54.1434 32.1204 176.3093 19 P 4.2736 0.0000 0.0000 65.4567 31.6185 178.4134 20 S 4.4071 7.9267 110.4063 59.1618 63.6631 174.1987 21 D 4.4973 7.9948 122.6548 54.5885 41.3623 175.9524 22 T 4.8127 8.0670 112.4378 60.8216 71.7403 176.0049 23 I 3.7435 8.3153 122.6894 64.4442 36.8540 178.6987 24 E 3.9739 8.1273 118.0100 59.1274 29.5203 178.5717 25 N 4.3179 7.9270 118.2497 56.1637 38.9623 176.4579 26 L 3.9216 8.0021 121.8667 58.3285 42.0485 179.2540 27 K 4.4578 8.6024 119.5152 58.9696 31.9876 179.2332 28 A 3.9927 8.2287 121.1160 55.0260 18.1956 179.8839 29 K 3.9833 8.1334 117.1923 59.6470 32.0487 179.6877 30 I 3.8159 8.0841 120.3526 64.2438 37.0066 178.1525 31 Q 4.2202 8.2857 122.0812 58.8209 28.6618 178.1968 32 D 4.3589 7.8235 118.5305 57.1794 40.9023 178.5055 33 K 4.0675 7.9234 119.1339 58.7449 32.4560 177.3088 34 E 4.2583 8.3474 114.7393 55.1938 31.2299 176.9904 35 G 3.8535 8.5600 107.4849 45.1119 0.0000 173.3584 36 I 4.1052 7.3047 121.4961 59.3505 37.9988 173.8499 37 P 4.3875 0.0000 0.0000 61.7698 32.1416 175.8012 38 P 4.2934 0.0000 0.0000 65.7014 31.3905 177.9554 39 D 4.5938 8.0746 114.7108 54.5560 39.8779 176.4319 40 Q 4.4209 8.2179 118.9183 55.9626 29.6570 174.4059 41 Q 4.8170 7.9318 119.3426 54.5638 30.5963 174.7282 42 R 4.8750 8.9465 123.7155 54.3118 32.9981 174.8043 43 L 5.2228 8.5126 123.6529 52.9600 44.6493 175.3408 44 I 4.9921 8.6809 124.1178 59.4338 40.6967 174.3795 45 F 5.1694 8.8077 127.9818 56.2811 42.5707 173.3953 46 A 3.4600 8.3783 128.7197 53.6460 16.0499 178.4466 47 G 4.1519 8.7337 105.4065 47.2872 0.0000 172.0770 48 K 4.5900 7.7998 118.8675 54.2655 34.7664 174.7916 49 Q 4.5735 8.5283 123.7928 55.8640 29.7071 175.2296 50 L 3.8267 8.5877 127.3732 54.4699 42.3734 176.1549 51 E 4.8150 9.0200 122.3544 54.4369 32.1290 177.2110 52 D 4.5662 8.4693 122.2220 56.3491 41.1730 178.8409 53 G 3.8407 7.4388 107.6933 47.6873 0.0000 172.8021 54 R 4.7899 7.8957 117.5085 54.5088 33.7332 174.1557 55 T 5.0374 8.2999 108.4444 59.6159 71.3689 175.4975 56 L 4.0865 8.5800 122.4651 58.0024 41.9425 180.2389 57 S 4.1802 8.3565 113.2863 61.3379 62.9637 176.2693 58 D 4.1721 7.6863 120.0157 56.7663 40.4331 176.6804 59 Y 4.4853 8.0695 115.1852 57.2069 38.1034 175.9285 60 N 4.6915 8.4511 115.9462 54.0798 36.7692 174.4102 61 I 3.4622 7.1944 118.9562 61.3967 37.7431 175.4030 62 Q 4.6375 8.5528 122.5415 53.2751 32.7132 174.6669 63 K 3.9278 8.4562 117.8766 58.5014 32.2005 177.2862 64 E 3.7495 9.1546 121.4375 56.7476 28.0282 174.8843 65 S 4.4762 7.6745 115.5823 59.5079 64.1862 173.2839 66 T 5.2117 8.6851 118.9003 62.0789 70.2414 173.9161 67 L 5.0923 8.7851 125.9762 53.3377 45.2481 175.0547 68 H 5.1017 9.2310 119.7769 54.5892 30.8363 173.8337 69 L 4.9988 9.0507 125.6554 53.4710 44.0414 174.9344 70 V 4.4204 8.8445 127.1248 61.0645 33.8751 175.6828 71 L 5.0884 8.4497 126.0447 54.2265 41.8693 176.2146 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 7.99 5.18 0.00 1.52 1.48 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.64 4.04 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 3 L 9.52 4.74 0.00 1.36 1.31 0.77 0.67 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 4 F 8.34 5.03 0.00 2.98 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 5 I 8.66 4.58 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.67 0.70 0.00 0.00 6 K 8.97 5.05 0.00 1.58 1.64 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.22 7.81 7 T 8.59 5.09 4.31 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 1.38 0.00 0.00 8 L 8.55 4.28 0.00 1.69 1.78 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.14 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 1.24 0.00 0.00 10 G 7.86 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 0.00 0.00 0.00 11 K 7.83 4.36 0.00 1.86 1.79 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.52 7.81 12 T 8.58 5.17 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 1.22 0.00 0.00 13 F 8.61 5.17 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 14 T 8.71 5.54 4.37 0.00 0.00 0.00 0.00 0.00 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 15 V 8.11 4.63 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 0.80 0.00 0.00 0.88 0.00 0.00 16 E 8.67 4.98 0.00 1.93 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 2.15 2.26 0.00 17 M 9.32 4.95 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 18 E 9.33 4.87 0.00 1.84 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 2.21 2.24 0.00 19 P 0.00 4.27 0.00 2.16 2.08 0.00 3.57 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 2.04 0.00 20 S 7.93 4.41 0.00 3.97 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 21 D 7.99 4.50 0.00 2.86 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 22 T 8.07 4.81 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.32 3.74 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.00 0.95 0.00 0.00 24 E 8.13 3.97 0.00 2.17 2.37 0.00 0.00 0.00 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 2.31 0.00 25 N 7.93 4.32 0.00 2.82 3.03 0.00 0.00 6.68 7.81 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 26 L 8.00 3.92 0.00 1.78 1.85 0.89 0.53 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 27 K 8.60 4.46 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.50 7.81 28 A 8.23 3.99 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 29 K 8.13 3.98 0.00 2.12 1.90 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 30 I 8.08 3.82 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 1.07 0.00 0.00 31 Q 8.29 4.22 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 32 D 7.82 4.36 0.00 2.92 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 33 K 7.92 4.07 0.00 1.75 1.99 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.44 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.23 7.81 34 E 8.35 4.26 0.00 1.75 1.63 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 1.47 1.47 0.00 35 G 8.56 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 0.00 0.00 0.00 36 I 7.30 4.11 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 1.41 0.95 0.93 0.00 0.00 37 P 0.00 4.39 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 38 P 0.00 4.29 0.00 2.18 2.10 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.07 4.59 0.00 2.77 2.79 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 40 Q 8.22 4.42 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 7.93 4.82 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 42 R 8.95 4.87 0.00 1.95 1.82 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 43 L 8.51 5.22 0.00 1.51 1.50 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.68 4.99 1.90 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 1.13 1.07 1.01 0.00 0.00 45 F 8.81 5.17 0.00 2.95 2.77 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 46 A 8.38 3.46 0.94 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 0.00 0.00 47 G 8.73 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.59 0.00 2.00 1.94 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.51 7.81 49 Q 8.53 4.57 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 50 L 8.59 3.83 0.00 1.36 1.12 0.71 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.02 4.81 0.00 2.07 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 2.28 2.52 0.00 52 D 8.47 4.57 0.00 2.73 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 53 G 7.44 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 0.00 0.00 0.00 54 R 7.90 4.79 0.00 2.17 1.95 0.00 3.09 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 55 T 8.30 5.04 4.49 0.00 0.00 0.00 0.00 0.00 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 56 L 8.58 4.09 0.00 1.89 1.72 0.86 0.71 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 57 S 8.36 4.18 0.00 4.00 4.12 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 58 D 7.69 4.17 0.00 2.65 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.49 0.00 3.22 3.16 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 60 N 8.45 4.69 0.00 3.07 3.05 0.00 0.00 6.93 8.28 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 61 I 7.19 3.46 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.16 0.61 0.00 0.00 62 Q 8.55 4.64 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 63 K 8.46 3.93 0.00 1.73 1.74 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 64 E 9.15 3.75 0.00 2.14 2.31 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 2.76 2.41 0.00 65 S 7.67 4.48 0.00 3.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.21 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 67 L 8.79 5.09 0.00 1.52 1.70 0.78 0.95 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 68 H 9.23 5.10 0.00 3.06 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.05 5.00 0.00 1.73 1.58 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.84 4.42 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 71 L 8.45 5.09 0.00 1.67 1.55 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00