NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7421 8.2833 118.1252 52.8643 40.0612 174.9046 3 D 4.1920 8.9729 123.1482 56.9600 41.0413 176.3299 4 L 4.2741 8.1671 117.5997 54.2678 44.1111 177.5944 5 G 3.7708 7.7898 108.1984 46.5984 0.0000 173.9377 6 I 4.1106 8.1997 123.8006 61.3094 38.3033 175.3638 7 T 5.2269 8.4780 116.1666 60.2659 72.5066 172.4373 8 A 5.0941 8.8631 123.0265 51.0925 23.5892 175.2637 9 V 4.6809 8.1959 118.5597 59.3920 34.1589 175.2895 10 A 3.8304 8.6561 127.3574 52.2523 18.5754 178.0751 11 L 3.8384 8.6148 122.9567 56.5122 42.6644 176.1978 12 Y 5.0881 7.3449 113.3637 56.0552 42.5042 174.7919 13 D 5.1196 8.9744 120.0500 54.9525 42.0407 175.9221 14 Y 4.6698 8.9119 122.7135 56.2516 42.5725 173.3610 15 Q 4.6172 7.5005 125.0877 53.4570 30.6990 175.3363 16 A 4.1352 8.6842 126.8247 52.2382 18.8878 177.0525 17 A 4.5606 8.9526 124.9342 51.1507 19.7358 176.2170 18 G 4.1163 7.1313 104.3302 46.9375 0.0000 175.0395 19 D 4.5133 8.7797 120.0470 56.0273 41.1259 177.0644 20 D 4.6754 7.9803 117.9012 53.4020 40.1049 175.2140 21 E 5.3274 7.8833 119.2590 54.8206 32.8565 174.4711 22 I 4.7949 8.5232 114.1881 59.4050 40.7914 174.5081 23 S 4.9531 8.3908 116.8244 57.1076 66.8409 173.4148 24 F 5.1102 8.3540 115.1039 56.5311 41.5110 172.5935 25 D 5.4931 9.9444 119.7686 51.6302 43.9889 174.4846 26 P 4.5635 0.0000 0.0000 64.6234 31.7234 176.9998 27 D 4.5951 8.9051 120.2260 54.5206 39.7546 174.4473 28 D 4.6319 7.8731 119.4714 54.3190 42.3384 175.0397 29 I 4.7820 8.0988 120.8464 59.7286 39.3558 175.0934 30 I 4.6217 8.7630 128.1690 59.7007 39.5318 175.0110 31 T 4.9325 8.5490 116.3396 59.1355 72.6355 173.0825 32 N 4.4151 9.3393 117.0506 54.1297 36.7474 175.4313 33 I 4.2336 8.0260 117.5893 61.5043 38.1482 176.2739 34 E 4.3899 9.3614 123.1469 54.9611 31.7206 175.5322 35 M 3.2334 7.7643 125.6242 53.6547 30.2672 176.2794 36 I 3.8814 7.6723 115.6156 62.4941 38.6756 176.1392 37 D 4.5109 7.5389 118.2240 52.9452 40.8804 175.7359 38 D 4.5595 9.0441 118.9560 56.2302 40.7287 177.2746 39 G 3.6926 8.3114 106.6764 46.4504 0.0000 173.0557 40 W 5.0558 8.3349 120.6164 53.7692 31.7051 174.9162 41 W 5.0836 8.3498 123.5543 54.9533 32.4400 174.4077 42 R 5.2656 8.3448 121.5953 55.0889 32.5388 175.3553 43 G 4.3103 8.5711 110.6671 46.3721 0.0000 171.6381 44 V 4.8730 8.2334 119.4107 61.1938 34.6735 174.8309 45 C 4.6019 9.0244 127.0933 58.4051 34.9671 174.0837 46 K 3.7626 9.6789 127.5771 57.6100 29.1952 176.0249 47 G 4.0315 8.1343 104.0486 45.6024 0.0000 173.2128 48 R 4.7242 7.9298 119.8506 54.6354 31.7830 174.6900 49 Y 4.8816 8.9023 120.2410 55.6589 39.8892 175.8090 50 G 4.0460 8.0092 111.4780 46.0964 0.0000 171.3149 51 L 5.8299 8.2374 119.2167 53.6989 43.7305 176.0873 52 F 5.1842 8.1189 114.2806 55.3223 41.5823 171.2399 53 P 3.6212 0.0000 0.0000 61.8562 31.3170 177.4476 54 A 3.0091 8.1492 129.2292 54.8371 18.1551 178.5871 55 N 4.4825 7.6486 109.9139 54.4161 37.7602 174.9245 56 Y 4.6284 8.1641 116.8944 58.2562 38.4309 174.9182 57 V 4.7591 7.3693 112.4598 59.4994 36.5192 174.4223 58 E 4.5818 8.7445 122.4074 54.0420 32.1572 175.0145 59 L 4.5494 8.7312 126.8490 55.8855 42.5276 177.1910 60 R 4.2898 8.4387 121.9941 55.7795 33.2144 174.4877 61 Q 4.1405 8.7285 126.9707 56.3189 29.1394 175.1219 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 2 N 8.28 4.74 0.00 2.83 2.81 0.00 0.00 6.99 7.19 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 3 D 8.97 4.19 0.00 2.73 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 4 L 8.17 4.27 0.00 1.69 1.68 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.79 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 0.00 0.00 0.00 6 I 8.20 4.11 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.88 0.00 0.00 7 T 8.48 5.23 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 1.26 0.00 0.00 8 A 8.86 5.09 1.27 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 0.00 0.00 0.00 9 V 8.20 4.68 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 10 A 8.66 3.83 0.73 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 0.00 0.00 11 L 8.61 3.84 0.00 0.42 0.30 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.34 5.09 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 13 D 8.97 5.12 0.00 2.69 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 14 Y 8.91 4.67 0.00 2.92 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 0.00 0.00 0.00 15 Q 7.50 4.62 0.00 1.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 16 A 8.68 4.14 1.24 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 0.00 0.00 17 A 8.95 4.56 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 18 G 7.13 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 0.00 0.00 0.00 19 D 8.78 4.51 0.00 2.67 2.74 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 20 D 7.98 4.68 0.00 2.78 2.86 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 21 E 7.88 5.33 0.00 2.09 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 0.00 2.35 2.11 0.00 22 I 8.52 4.79 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 1.10 0.00 0.00 23 S 8.39 4.95 0.00 3.70 3.81 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 24 F 8.35 5.11 0.00 3.14 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 25 D 9.94 5.49 0.00 2.63 2.66 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 26 P 0.00 4.56 0.00 2.05 2.00 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 27 D 8.91 4.60 0.00 2.80 2.83 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 0.00 0.00 0.00 28 D 7.87 4.63 0.00 2.73 2.55 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 29 I 8.10 4.78 1.81 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 1.29 0.80 0.89 0.00 0.00 30 I 8.76 4.62 1.62 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.33 0.58 0.00 0.00 31 T 8.55 4.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 32 N 9.34 4.42 0.00 2.74 2.93 0.00 0.00 7.04 7.33 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 33 I 8.03 4.23 1.99 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 0.89 0.00 0.00 34 E 9.36 4.39 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 35 M 7.76 3.23 0.00 1.07 1.51 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.00 36 I 7.67 3.88 1.91 0.00 0.00 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 1.57 0.75 0.91 0.00 0.00 37 D 7.54 4.51 0.00 2.83 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 38 D 9.04 4.56 0.00 2.71 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 39 G 8.31 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.33 5.06 0.00 3.14 3.09 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 41 W 8.35 5.08 0.00 2.20 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 42 R 8.34 5.27 0.00 1.97 1.83 0.00 3.23 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 43 G 8.57 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 0.00 0.00 0.00 0.00 44 V 8.23 4.87 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 0.56 0.00 0.00 0.14 0.00 0.00 45 C 9.02 4.60 0.00 2.96 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 K 9.68 3.76 0.00 1.92 1.84 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.43 7.81 47 G 8.13 4.03 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 0.00 48 R 7.93 4.72 0.00 2.03 1.93 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 49 Y 8.90 4.88 0.00 2.94 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 50 G 8.01 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 51 L 8.24 5.83 0.00 1.58 1.74 0.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.12 5.18 0.00 3.10 3.27 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 0.00 53 P 0.00 3.62 0.00 1.34 1.18 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.54 0.00 54 A 8.15 3.01 -0.33 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 0.00 0.00 0.00 55 N 7.65 4.48 0.00 2.83 2.83 0.00 0.00 5.96 7.55 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 56 Y 8.16 4.63 0.00 3.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 4.76 1.93 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 0.36 0.00 0.00 1.10 0.00 0.00 58 E 8.74 4.58 0.00 1.89 1.67 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 2.16 2.22 0.00 59 L 8.73 4.55 0.00 1.65 1.68 1.14 1.19 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 60 R 8.44 4.29 0.00 1.77 1.75 0.00 3.21 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 61 Q 8.73 4.14 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00