NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4895 8.1233 122.4783 52.1453 20.4433 175.9433 2 Y 4.8352 8.7520 118.5028 55.1996 40.0474 169.8840 3 V 4.5901 9.4529 121.3965 60.1474 35.6323 174.1990 4 I 4.5549 8.5184 124.9551 60.9138 37.8814 175.6604 5 N 4.8127 8.6146 126.2538 51.6539 39.5578 175.2271 6 E 4.1281 8.6362 115.9942 58.5271 29.6289 177.8897 7 A 4.1042 7.8627 120.9866 53.7134 18.8044 177.3134 8 C 3.9585 7.5796 117.0071 60.1927 31.7110 173.3230 9 I 4.2803 8.3817 118.7836 59.9865 37.6177 175.3330 10 S 3.8551 8.0368 115.0201 60.0687 60.1090 173.2889 11 C 4.1071 8.0538 115.6831 59.3654 29.6381 174.7813 12 G 3.4969 7.6449 107.5557 45.1585 0.0000 174.8869 13 A 4.0075 7.5661 122.2843 54.5732 18.8609 179.2645 14 C 4.2473 7.7768 111.2823 60.5947 30.0900 175.3330 15 E 3.9288 7.7252 121.6709 59.1197 29.0444 177.2660 16 P 4.4133 0.0000 0.0000 64.8374 31.5068 177.5657 17 E 4.3956 7.7679 115.7515 55.9901 30.0538 175.9562 18 C 4.2209 7.3617 120.6031 58.2680 31.7338 172.4697 19 P 4.3265 0.0000 0.0000 65.0699 31.0776 177.4276 20 V 4.2526 7.6449 109.9778 60.2251 32.0991 174.8921 21 D 4.3481 7.7836 117.4316 55.4925 38.7725 174.3583 22 A 4.3450 7.9167 119.2427 53.1171 20.0626 177.9311 23 I 5.0947 7.6829 116.4111 59.6369 39.1665 175.1998 24 S 4.7588 8.7591 119.7689 56.3528 67.1255 172.7896 25 Q 2.8829 8.3961 122.1466 55.6901 29.4386 175.1576 26 G 4.1486 7.6633 114.3981 43.2071 0.0000 171.7783 27 G 3.6466 8.3953 108.5594 46.3308 0.0000 172.6390 28 S 4.7176 9.9763 123.1011 57.9223 61.9333 169.2598 29 R 4.8247 7.1941 114.9602 53.8263 32.3429 173.5320 30 Y 4.1835 8.6522 116.1872 58.1306 38.9830 175.4242 31 V 4.5694 8.8149 120.7701 61.3304 35.3709 174.1049 32 I 4.8573 8.3195 126.8851 59.7396 39.2478 174.9294 33 D 4.6280 9.1431 127.2266 53.4746 41.0973 176.8782 34 A 4.1725 8.7586 129.8574 54.5561 18.6731 177.4550 35 D 4.7299 8.1449 114.2395 55.1197 41.1588 177.0947 36 T 4.4524 7.5732 114.6646 64.0707 71.1701 174.3514 37 C 4.1602 8.0467 121.9760 59.7299 31.4025 173.1542 38 I 4.3980 8.2824 119.4985 60.4706 37.1576 175.3291 39 D 4.5893 8.2325 118.1848 56.2441 38.0807 175.7186 40 C 4.1092 7.3870 112.8062 59.3213 29.9402 174.8884 41 G 3.5819 7.1234 104.7360 45.6666 0.0000 175.0402 42 A 3.9362 7.6971 122.5953 55.1768 18.1002 179.5515 43 C 4.0105 7.8260 111.2770 61.5299 29.9837 175.6350 44 A 4.2545 7.9510 122.9075 54.6836 17.8291 179.6608 45 G 3.6347 7.8311 103.6124 47.1195 0.0000 175.3237 46 V 4.3360 7.1580 111.6262 59.9266 32.2427 175.0802 47 C 4.3764 7.3991 121.3267 57.4874 31.7693 172.6368 48 P 4.2800 0.0000 0.0000 65.2141 31.0843 177.4142 49 V 4.1085 7.7284 109.3285 59.9896 32.1950 174.7503 50 D 4.3241 7.6177 118.0900 55.2657 40.1969 174.3022 51 A 4.2279 7.8287 121.2175 54.3141 20.1621 177.3553 52 P 4.9445 0.0000 0.0000 62.9447 31.8817 176.8305 53 V 4.4172 8.8169 117.9128 59.0826 35.7995 174.8541 54 Q 3.4525 8.0247 124.9995 55.5113 29.6024 175.7486 55 A 4.2600 8.4014 128.7154 52.2762 19.2166 175.6958 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 A 8.12 4.49 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 2 Y 8.75 4.84 0.00 2.83 2.94 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 3 V 9.45 4.59 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 0.80 0.00 0.00 0.95 0.00 0.00 4 I 8.52 4.55 2.06 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 1.47 0.64 0.98 0.00 0.00 5 N 8.61 4.81 0.00 2.93 2.99 0.00 0.00 6.57 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.64 4.13 0.00 1.99 2.06 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 2.33 2.32 0.00 7 A 7.86 4.10 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.58 3.96 0.00 2.93 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 9 I 8.38 4.28 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.94 0.00 0.00 10 S 8.04 3.86 0.00 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 0.00 11 C 8.05 4.11 0.00 3.02 3.01 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 0.00 0.00 0.00 12 G 7.64 3.50 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 0.00 0.00 0.00 13 A 7.57 4.01 1.22 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 0.00 0.00 0.00 14 C 7.78 4.25 0.00 3.12 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 15 E 7.73 3.93 0.00 2.28 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 0.00 2.38 2.66 0.00 16 P 0.00 4.41 0.00 2.05 2.10 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 17 E 7.77 4.40 0.00 2.05 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 2.42 2.42 0.00 18 C 7.36 4.22 0.00 3.05 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 19 P 0.00 4.33 0.00 2.20 2.15 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 20 V 7.64 4.25 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 0.76 0.00 0.00 0.97 0.00 0.00 21 D 7.78 4.35 0.00 2.80 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 22 A 7.92 4.34 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.68 5.09 1.94 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 1.45 0.68 1.11 0.00 0.00 24 S 8.76 4.76 0.00 3.78 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 25 Q 8.40 2.88 0.00 1.59 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.69 0.00 0.00 0.00 0.00 0.00 2.07 1.75 0.00 26 G 7.66 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 27 G 8.40 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.98 4.72 0.00 4.17 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 0.00 29 R 7.19 4.82 0.00 2.04 2.07 0.00 3.16 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 30 Y 8.65 4.18 0.00 2.83 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 31 V 8.81 4.57 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 0.99 0.00 0.00 0.89 0.00 0.00 32 I 8.32 4.86 1.93 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 1.28 0.80 0.96 0.00 0.00 33 D 9.14 4.63 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.17 1.31 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 0.00 0.00 0.00 35 D 8.14 4.73 0.00 2.88 2.72 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 36 T 7.57 4.45 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 1.24 0.00 0.00 37 C 8.05 4.16 0.00 3.07 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 38 I 8.28 4.40 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.96 0.00 0.00 39 D 8.23 4.59 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 40 C 7.39 4.11 0.00 3.07 3.01 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 0.00 0.00 0.00 41 G 7.12 3.58 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 0.00 0.00 0.00 42 A 7.70 3.94 1.25 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 0.00 0.00 43 C 7.83 4.01 0.00 3.10 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 44 A 7.95 4.25 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.83 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.16 4.34 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 0.74 0.00 0.00 0.96 0.00 0.00 47 C 7.40 4.38 0.00 3.07 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.28 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 49 V 7.73 4.11 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 0.71 0.00 0.00 0.95 0.00 0.00 50 D 7.62 4.32 0.00 2.70 2.67 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 51 A 7.83 4.23 1.31 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 0.00 0.00 0.00 52 P 0.00 4.94 0.00 2.12 2.17 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 53 V 8.82 4.42 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 0.69 0.00 0.00 0.95 0.00 0.00 54 Q 8.02 3.45 0.00 1.25 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 55 A 8.40 4.26 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00