NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5762 8.1476 118.3258 55.3117 33.6354 173.4252 2 Q 4.9858 8.2564 117.2302 52.5896 31.2930 172.9713 3 I 4.3771 8.9361 116.3913 58.8757 42.1882 175.0956 4 F 5.4495 8.4704 121.2245 55.7568 42.1636 174.7135 5 V 4.8224 9.0337 123.9458 61.1128 33.4757 174.4395 6 K 4.8986 9.0121 129.1421 56.1424 33.8535 176.7834 7 T 4.8557 8.2222 113.6591 59.5451 71.6723 175.2404 8 L 4.0895 8.5930 120.8487 57.6340 41.6611 178.6901 9 T 4.0586 7.8445 106.9124 62.2774 69.2425 175.6517 10 G 3.9449 7.8586 110.6501 44.9205 0.0000 173.8846 11 K 3.9672 7.5064 121.5084 56.6763 32.6842 175.5908 12 T 4.6785 8.2337 122.1690 61.8896 70.2085 173.6310 13 I 4.1299 8.6333 128.9714 61.0928 38.4809 175.3071 14 T 5.1246 8.5993 123.9409 62.0493 70.1148 174.0720 15 L 4.8205 8.6002 125.7859 52.8005 45.6760 175.1051 16 E 4.7491 8.6897 122.8761 55.0125 30.7446 175.0264 17 V 4.7549 8.8249 119.9579 59.9789 36.5249 174.5202 18 E 4.7014 9.2832 119.2690 54.2467 33.3756 175.5909 19 P 4.3941 0.0000 0.0000 65.5722 31.6446 178.6796 20 S 4.2117 7.9430 111.4192 60.5390 63.6379 174.5629 21 D 4.3915 8.4480 123.0140 54.3804 41.1328 176.4240 22 T 4.7454 8.2130 114.2494 61.0386 71.5482 175.9347 23 I 3.8044 8.2136 121.5735 64.3725 37.0855 178.6390 24 E 4.0024 7.9724 119.4714 59.4389 29.2582 179.2146 25 N 4.3280 7.8121 115.0640 56.3403 38.6549 177.6696 26 V 3.5848 7.5940 119.2146 65.9519 31.5914 178.1770 27 K 4.3755 8.4083 119.3636 58.9508 31.9992 179.2206 28 A 4.0259 7.9595 120.6871 55.0134 18.2616 179.8830 29 K 3.9674 8.1641 117.1385 59.6656 32.0273 179.6693 30 I 3.7393 7.9505 120.1947 64.3658 37.0017 178.2708 31 Q 4.1510 8.0418 121.8323 58.5550 28.5975 178.1623 32 D 4.3186 7.6683 118.7797 57.4869 41.0538 178.6322 33 K 4.1999 7.9276 117.4061 58.3673 32.1983 177.7447 34 E 4.5053 8.6064 116.0184 55.1992 31.5339 177.1484 35 G 3.9251 8.1852 106.6505 45.0104 0.0000 173.7020 36 I 3.7861 7.4580 121.4315 60.4363 37.5638 173.7615 37 P 4.4449 0.0000 0.0000 61.9626 31.5810 176.0523 38 P 4.3489 0.0000 0.0000 65.2222 31.4787 177.6223 39 D 4.6520 8.0680 115.4235 54.4078 39.6992 176.2797 40 Q 4.6210 7.9209 117.8682 56.1123 31.5555 175.5709 41 Q 4.4040 7.7366 118.7854 55.5542 30.4803 175.4006 42 R 4.7293 8.8922 121.1953 54.5497 34.0757 174.1057 43 L 5.2394 8.5639 123.6148 53.0696 44.6445 175.5120 44 I 5.0670 8.5491 122.7964 59.4760 41.5101 174.3277 45 F 4.9066 8.9907 127.8152 56.2427 42.1263 174.6928 46 A 3.3284 9.2846 131.4418 53.0838 15.8468 176.7381 47 G 3.9690 8.2642 109.0747 45.6356 0.0000 173.7691 48 K 4.2028 7.7159 121.7130 55.1254 32.6633 175.4005 49 Q 4.4981 8.5656 128.3562 56.2056 29.6732 174.9614 50 L 4.2285 8.6618 127.0184 53.5805 43.1764 175.8415 51 E 4.5556 9.2781 123.1104 54.9759 31.0025 176.8242 52 D 4.4572 9.1847 124.4481 57.7618 41.2818 179.7270 53 G 3.5961 8.2146 105.9550 48.5603 0.0000 174.3040 54 R 4.1301 7.7684 119.4431 56.0118 29.3323 176.0390 55 T 4.9974 8.0164 109.8032 60.0339 71.5008 175.7709 56 L 4.2043 8.4306 121.2583 58.0026 41.4198 180.0560 57 S 4.1466 7.9144 113.8376 61.4851 62.6000 176.1575 58 D 4.2702 7.4520 120.6448 56.7375 40.5283 177.3551 59 Y 4.6886 7.0820 112.0894 56.6801 38.4813 175.0936 60 N 4.1192 7.9434 116.2379 54.2678 36.6324 174.9868 61 I 3.4116 7.3701 119.3965 60.7202 36.9617 176.2909 62 Q 4.4156 8.0835 126.0356 53.7644 30.7791 175.1611 63 K 3.9544 8.2219 117.9932 58.4935 32.9773 176.7153 64 E 3.3974 8.9386 120.7636 56.8923 27.7709 174.6345 65 S 4.5041 7.3868 114.7444 58.9850 64.0409 173.3164 66 T 5.1423 8.7294 120.6089 62.5160 69.6829 174.1353 67 L 5.1610 9.1670 125.8950 53.2916 45.7768 174.9218 68 H 5.2629 9.0867 118.8550 54.0509 31.3822 172.9980 69 L 5.0600 9.0102 126.0887 53.5561 43.4740 175.6651 70 V 4.4306 8.8559 126.1201 61.4160 34.6310 175.2834 71 L 5.2370 8.1900 126.9897 53.3928 43.8291 175.4817 72 R 4.3294 8.6328 116.2226 56.5439 32.1716 176.0152 73 L 4.0670 7.9619 120.9379 54.9817 41.0689 173.9776 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 8.15 4.58 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 2 Q 8.26 4.99 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 3 I 8.94 4.38 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.72 0.00 0.00 4 F 8.47 5.45 0.00 2.99 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 V 9.03 4.82 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 0.99 0.00 0.00 0.94 0.00 0.00 6 K 9.01 4.90 0.00 1.70 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 7 T 8.22 4.86 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 1.23 0.00 0.00 8 L 8.59 4.09 0.00 1.66 1.78 0.93 0.85 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 9 T 7.84 4.06 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 1.22 0.00 0.00 10 G 7.86 3.94 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 0.00 11 K 7.51 3.97 0.00 1.89 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.23 4.68 4.21 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 0.00 0.00 1.20 0.00 0.00 13 I 8.63 4.13 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.93 0.00 0.00 14 T 8.60 5.12 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 1.43 0.00 0.00 15 L 8.60 4.82 0.00 1.52 1.49 0.90 0.69 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 16 E 8.69 4.75 0.00 1.92 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 2.19 2.35 0.00 17 V 8.82 4.75 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 0.70 0.00 0.00 0.88 0.00 0.00 18 E 9.28 4.70 0.00 1.82 1.74 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 2.19 2.25 0.00 19 P 0.00 4.39 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.78 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 7.94 4.21 0.00 3.96 3.98 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 21 D 8.45 4.39 0.00 2.75 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 8.21 4.75 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.21 3.80 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.20 0.97 0.00 0.00 24 E 7.97 4.00 0.00 2.13 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 0.00 2.34 2.55 0.00 25 N 7.81 4.33 0.00 2.97 2.85 0.00 0.00 6.66 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 26 V 7.59 3.58 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 1.01 0.00 0.00 0.94 0.00 0.00 27 K 8.41 4.38 0.00 2.03 1.85 0.00 1.89 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.47 7.81 28 A 7.96 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.97 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 30 I 7.95 3.74 2.14 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 0.78 0.95 0.00 0.00 31 Q 8.04 4.15 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 D 7.67 4.32 0.00 2.89 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 33 K 7.93 4.20 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 E 8.61 4.51 0.00 2.03 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 2.23 2.36 0.00 35 G 8.19 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 0.00 0.00 0.00 36 I 7.46 3.79 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 1.13 0.92 0.00 0.00 37 P 0.00 4.44 0.00 2.31 1.97 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 2.11 2.11 0.00 38 P 0.00 4.35 0.00 2.18 2.10 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 8.07 4.65 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.62 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 41 Q 7.74 4.40 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 42 R 8.89 4.73 0.00 1.86 1.78 0.00 3.09 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 1.58 0.00 43 L 8.56 5.24 0.00 1.54 1.51 0.91 0.82 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 44 I 8.55 5.07 1.91 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 1.10 0.81 0.91 0.00 0.00 45 F 8.99 4.91 0.00 2.98 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 46 A 9.28 3.33 0.80 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 0.00 0.00 0.00 0.00 0.00 47 G 8.26 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 0.00 0.00 0.00 48 K 7.72 4.20 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.40 7.81 49 Q 8.57 4.50 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 L 8.66 4.23 0.00 1.35 1.12 0.73 -0.12 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 51 E 9.28 4.56 0.00 2.04 1.92 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 2.32 2.36 0.00 52 D 9.18 4.46 0.00 2.72 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 53 G 8.21 3.60 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 0.00 0.00 0.00 54 R 7.77 4.13 0.00 1.98 1.59 0.00 3.18 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 55 T 8.02 5.00 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.43 4.20 0.00 1.88 1.71 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.91 4.15 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 58 D 7.45 4.27 0.00 2.52 2.26 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 0.00 59 Y 7.08 4.69 0.00 2.98 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 60 N 7.94 4.12 0.00 3.00 2.97 0.00 0.00 6.94 7.61 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 61 I 7.37 3.41 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.36 0.60 0.00 0.00 62 Q 8.08 4.42 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.10 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 63 K 8.22 3.95 0.00 1.80 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.45 7.81 64 E 8.94 3.40 0.00 2.20 2.43 0.00 0.00 0.00 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 2.29 0.00 65 S 7.39 4.50 0.00 3.84 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 66 T 8.73 5.14 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 1.26 0.00 0.00 67 L 9.17 5.16 0.00 1.58 1.55 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.09 5.26 0.00 3.13 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 5.06 0.00 1.59 1.58 1.02 0.93 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 70 V 8.86 4.43 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.19 5.24 0.00 1.67 1.63 0.93 1.03 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 8.63 4.33 0.00 1.93 1.95 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 L 7.96 4.07 0.00 1.80 1.81 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00