NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3742 8.3349 115.4058 58.1831 65.1671 173.6202 1 I 3.7335 7.5043 122.9555 58.9967 37.2010 173.5186 2 T 4.8013 9.0115 117.6075 59.8593 72.4440 174.0445 3 C 4.5498 9.2000 120.8523 55.9520 41.2667 172.1624 4 P 4.6190 0.0000 0.0000 60.9639 32.5615 173.9255 5 P 4.5688 0.0000 0.0000 62.4444 31.5204 175.0066 6 P 4.5921 0.0000 0.0000 62.2691 31.9960 176.0457 7 M 4.3345 8.4278 117.0988 55.0618 31.8674 176.2818 8 S 4.5335 8.3059 114.5289 57.9835 64.5655 173.5711 9 V 4.1654 7.7714 120.0144 60.3385 33.9718 174.5203 10 E 3.8938 8.5338 127.4376 57.8571 30.0096 175.9443 11 H 3.7543 8.7361 121.0022 56.3585 26.0229 173.4695 12 A 5.1689 7.6489 119.7876 50.7405 22.8598 174.9699 13 D 4.8724 9.0235 117.3321 53.4854 45.5197 173.6045 14 I 4.6693 8.0874 120.1495 59.1505 41.1441 173.6569 15 W 4.5665 8.5847 135.0000 55.3584 32.0465 174.8361 16 V 3.5211 7.3243 126.3341 61.7674 31.3940 175.9534 17 K 4.0036 8.6415 127.1251 58.6985 32.4651 177.4430 18 S 4.5882 8.0409 111.7188 57.2233 65.5009 173.0567 19 Y 4.5739 8.6158 123.0697 57.8102 38.9137 175.9968 20 S 4.4296 7.5137 116.0406 57.8093 63.5426 173.5496 21 L 3.6403 7.9141 124.5530 56.9051 41.9600 177.0318 22 Y 4.0265 8.3781 122.6356 57.7318 36.4995 169.3468 23 S 4.2560 7.5394 115.2962 59.1354 63.5411 173.0460 24 R 5.2690 8.6227 124.7089 54.7493 32.1666 175.0072 25 E 4.8037 9.4891 122.1024 54.9797 34.7887 174.2667 26 R 5.1282 8.0767 118.1505 54.9253 33.9844 174.7627 27 Y 4.5300 8.6168 120.4566 57.1006 39.7170 175.1186 28 I 4.6674 8.9383 123.2958 59.3630 40.5709 174.6723 29 C 4.9036 8.9892 124.1630 57.1942 41.4921 173.4449 30 N 4.7607 9.3388 120.0046 52.5671 39.7388 174.5928 31 S 4.3114 8.7065 114.6997 60.3694 62.7737 175.0358 32 G 3.8822 9.0408 113.5407 45.3455 0.0000 172.6134 33 F 5.2193 8.0675 117.1590 55.4976 42.2698 174.8751 34 K 4.7874 9.0930 119.8406 54.1144 36.2843 175.7631 35 R 4.2963 8.6974 123.3788 56.4450 30.7180 176.1607 36 K 4.0992 9.4236 128.5409 56.4838 33.2492 176.1878 37 A 4.2312 8.5536 129.7923 53.5355 18.9145 177.9299 38 G 4.0191 9.0060 109.5572 45.2475 0.0000 173.5830 39 T 4.6089 7.3664 108.9226 59.7626 71.2702 173.5200 40 S 4.9015 8.3249 117.8929 56.5597 65.0113 174.3742 41 S 4.6134 8.7869 120.0512 58.9815 64.1739 173.1957 42 L 4.7391 7.8033 123.9215 55.5053 42.5009 175.8910 43 T 4.9957 9.1487 120.3127 60.5132 71.3046 172.2275 44 E 5.4400 9.2976 124.7735 54.8518 34.5903 173.8010 45 C 4.3032 9.0084 124.0012 55.7795 44.2649 172.8688 46 V 4.8269 8.4034 118.9848 59.5032 36.3392 174.3478 47 L 4.4789 8.3120 121.7378 53.7069 42.8341 177.8421 48 N 4.6521 9.4530 124.0015 51.9723 37.3740 175.0751 49 K 3.8582 8.6206 122.9226 59.2108 32.2342 177.5013 50 A 4.0291 7.8265 119.0533 55.1807 18.3847 178.8072 51 T 4.2977 8.2977 104.2836 60.4177 69.7421 173.8228 52 N 4.1623 7.9572 119.2193 54.7335 38.2557 173.5179 53 V 4.5132 7.5249 113.9434 60.6992 35.1173 173.8284 54 A 5.1889 8.5179 128.7173 51.1699 21.1080 175.3529 55 H 4.7484 8.6347 114.2917 54.2458 32.6177 172.3950 56 W 5.0526 8.6761 119.4878 55.8936 29.9750 176.7860 57 T 4.2254 9.0298 115.7650 61.8144 69.1619 174.4889 58 T 4.0384 8.5428 121.4552 63.0001 69.0081 172.8764 59 P 4.6456 0.0000 0.0000 62.0192 32.3905 176.5817 60 S 4.2048 8.6979 113.1377 59.9605 63.4144 173.7783 61 L 3.7165 7.1213 122.5740 53.7641 42.2323 175.9925 62 K 4.5554 8.8551 127.6689 54.8151 34.8568 173.8065 63 C 5.3867 8.8998 125.4076 55.7955 39.1794 173.0674 64 I 4.8730 8.7892 117.6635 58.5497 40.4811 175.0924 65 R 3.5645 8.7251 121.6881 56.6539 30.7827 175.6625 66 D 4.4028 8.7810 123.7640 53.6758 41.4994 175.2076 67 P 4.2002 0.0000 0.0000 65.8978 30.8568 178.0688 68 A 4.1064 7.8426 119.5275 55.1363 18.5169 179.2146 69 L 4.0856 8.0864 117.6183 57.6357 41.5098 179.6432 70 V 3.5407 7.5606 117.1087 66.3211 31.5485 177.3745 71 H 4.3346 7.7651 113.1639 57.6907 28.6145 175.4585 72 Q 4.2252 7.8090 124.2186 55.8835 28.7708 175.2580 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 0 S 8.33 4.37 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.73 1.73 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 1.33 0.59 0.78 0.00 0.00 2 T 9.01 4.80 4.40 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 0.00 0.00 1.23 0.00 0.00 3 C 9.20 4.55 0.00 2.44 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 4 P 0.00 4.62 0.00 2.28 2.14 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 5 P 0.00 4.57 0.00 2.14 2.12 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 6 P 0.00 4.59 0.00 1.93 1.09 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.00 7 M 8.43 4.33 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 8 S 8.31 4.53 0.00 3.99 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 9 V 7.77 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.02 0.00 0.00 10 E 8.53 3.89 0.00 1.79 1.59 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 1.73 2.12 0.00 11 H 8.74 3.75 0.00 2.72 1.48 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.65 5.17 1.21 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 0.00 0.00 0.00 13 D 9.02 4.87 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.67 0.96 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.54 0.54 0.00 0.00 15 W 8.58 4.57 0.00 3.28 2.89 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 16 V 7.32 3.52 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 17 K 8.64 4.00 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.49 7.81 18 S 8.04 4.59 0.00 3.78 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 19 Y 8.62 4.57 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.51 4.43 0.00 3.91 3.74 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 0.00 21 L 7.91 3.64 0.00 1.21 1.06 0.53 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.38 4.03 0.00 3.19 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 23 S 7.54 4.26 0.00 4.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.62 5.27 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 25 E 9.49 4.80 0.00 1.38 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 2.29 1.96 0.00 26 R 8.08 5.13 0.00 1.61 1.78 0.00 3.21 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 27 Y 8.62 4.53 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.94 4.67 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 1.26 1.02 0.95 0.00 0.00 29 C 8.99 4.90 0.00 2.94 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 30 N 9.34 4.76 0.00 2.72 2.84 0.00 0.00 6.64 7.48 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 31 S 8.71 4.31 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.04 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 33 F 8.07 5.22 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 4.79 0.00 1.62 1.68 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.50 7.81 35 R 8.70 4.30 0.00 1.86 1.89 0.00 3.43 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 1.64 1.67 0.00 36 K 9.42 4.10 0.00 1.92 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.43 7.81 37 A 8.55 4.23 1.26 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 0.00 0.00 38 G 9.01 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 39 T 7.37 4.61 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 1.22 0.00 0.00 40 S 8.32 4.90 0.00 3.95 3.74 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 0.00 41 S 8.79 4.61 0.00 4.23 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 42 L 7.80 4.74 0.00 1.75 1.67 1.03 0.67 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 43 T 9.15 5.00 4.56 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 1.01 0.00 0.00 44 E 9.30 5.44 0.00 1.99 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 2.31 2.33 0.00 45 C 9.01 4.30 0.00 1.23 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 0.00 0.00 0.00 46 V 8.40 4.83 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 0.81 0.00 0.00 0.80 0.00 0.00 47 L 8.31 4.48 0.00 1.54 1.60 0.91 0.96 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 48 N 9.45 4.65 0.00 2.72 2.89 0.00 0.00 6.76 6.66 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 49 K 8.62 3.86 0.00 1.89 1.90 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.63 7.81 50 A 7.83 4.03 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 51 T 8.30 4.30 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 1.20 0.00 0.00 52 N 7.96 4.16 0.00 2.80 2.88 0.00 0.00 6.81 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 53 V 7.52 4.51 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 0.76 0.00 0.00 0.97 0.00 0.00 54 A 8.52 5.19 1.03 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 55 H 8.63 4.75 0.00 3.20 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.68 5.05 0.00 3.34 3.30 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 0.00 0.00 0.00 0.00 57 T 9.03 4.23 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 1.25 0.00 0.00 58 T 8.54 4.04 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 1.18 0.00 0.00 59 P 0.00 4.65 0.00 2.35 2.34 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 60 S 8.70 4.20 0.00 4.00 4.04 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 61 L 7.12 3.72 0.00 1.83 1.52 0.94 0.45 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 62 K 8.86 4.56 0.00 1.87 1.62 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.40 7.81 63 C 8.90 5.39 0.00 2.87 3.12 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 64 I 8.79 4.87 1.91 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 1.41 1.30 0.96 0.00 0.00 65 R 8.73 3.56 0.00 1.59 1.77 0.00 2.99 0.00 0.00 2.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 66 D 8.78 4.40 0.00 2.66 2.46 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 0.00 67 P 0.00 4.20 0.00 2.33 2.31 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 68 A 7.84 4.11 1.36 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 0.00 0.00 0.00 69 L 8.09 4.09 0.00 1.73 1.65 0.85 0.66 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 70 V 7.56 3.54 2.05 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 0.76 0.00 0.00 0.89 0.00 0.00 71 H 7.77 4.33 0.00 3.18 3.35 0.00 5.89 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 72 Q 7.81 4.23 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00