NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4441 8.1627 118.3261 55.2918 33.6294 173.3297 2 Q 4.7635 8.2379 120.7600 52.9998 30.9684 172.7602 3 I 4.7535 9.0790 119.7048 59.1173 42.2289 173.3693 4 F 5.2028 8.9221 121.2895 55.7808 41.8081 175.0847 5 V 4.8271 8.8560 122.3509 61.0525 34.1546 173.9195 6 K 5.0161 9.0163 130.1964 54.8082 34.3262 174.7213 7 T 5.0501 8.6409 118.7715 59.9633 69.4615 174.7014 8 L 4.1274 8.9737 126.4838 57.7350 42.3169 177.9230 9 T 4.7870 7.4057 104.5887 58.8944 69.1056 172.4839 10 G 3.7895 7.2672 116.7185 46.0439 0.0000 171.5617 11 K 4.4541 8.4253 123.6686 56.6046 34.9110 176.2610 12 T 5.2357 8.3713 116.8814 61.7521 70.9467 173.7452 13 I 4.8790 8.8682 118.8085 59.3054 41.4855 174.2893 14 T 4.8756 8.4360 112.5080 60.5709 70.8335 173.9571 15 L 4.8095 8.5510 122.1060 53.1583 46.4578 175.1869 16 E 4.9390 8.7017 121.7444 55.3330 30.5623 175.7277 17 V 4.7125 8.7873 117.4367 59.7960 36.3822 174.4507 18 E 4.7447 9.5645 120.4071 53.9282 32.5619 176.1008 19 P 4.1565 0.0000 0.0000 65.6309 31.5582 178.3301 20 S 4.3900 7.8928 110.0150 58.9232 63.8188 174.1376 21 D 4.4071 8.1038 123.6249 54.7305 41.2654 176.3486 22 T 4.6558 8.2365 113.9338 61.1396 71.2660 175.7804 23 I 3.7150 8.5287 123.1843 64.6436 37.0793 178.4217 24 E 3.9241 8.2497 120.1059 59.3448 29.4447 178.6102 25 N 4.3359 8.2421 116.5672 56.3118 38.6054 177.5615 26 V 3.5765 7.9426 119.6020 65.8761 31.5508 178.1016 27 K 4.3640 8.6032 119.6175 58.9176 31.8146 179.0517 28 A 3.9822 8.0631 120.8824 55.1821 18.2795 179.8806 29 K 3.9220 8.1057 116.9991 59.6321 32.1086 179.7149 30 I 3.7430 7.9282 120.2126 64.2004 36.8897 178.2904 31 Q 4.0341 8.2735 120.6921 59.3002 28.7028 177.8185 32 D 4.3366 8.0622 118.9320 57.3387 40.9422 178.3795 33 K 4.1901 7.8960 118.5623 58.1320 32.5279 177.5770 34 E 4.6410 8.7085 115.9239 54.9905 31.2898 177.1569 35 G 3.9138 8.2072 106.8423 45.3095 0.0000 173.5128 36 I 3.9976 7.4374 120.8849 59.6980 37.8928 174.1433 37 P 4.3446 0.0000 0.0000 62.0238 32.0125 175.3795 38 P 4.2518 0.0000 0.0000 65.8539 31.3315 177.8263 39 D 4.5414 8.0527 114.4309 54.8647 39.7421 176.4898 40 Q 4.7375 8.0420 118.3356 55.5414 29.6007 174.8369 41 Q 4.7707 8.0142 118.8148 54.8640 30.8199 174.9917 42 R 4.8266 8.9274 121.6677 54.4572 33.8010 174.3171 43 L 5.1860 8.5518 123.4398 53.1684 44.6839 175.4536 44 I 5.1473 8.6878 122.8273 59.6660 41.1701 174.3041 45 F 5.0664 9.0230 127.0895 57.3190 43.3155 173.8134 46 A 3.2568 8.7602 125.9033 53.1099 15.9485 178.2819 47 G 3.9265 8.4866 105.6148 46.8059 0.0000 174.1226 48 K 4.6410 7.7735 118.1033 54.3843 35.6918 174.9340 49 Q 4.6473 8.4416 121.4965 55.9874 29.4561 175.6369 50 L 4.2769 8.8320 127.0220 54.5162 43.2244 175.9200 51 E 4.6632 9.0047 120.5408 54.7601 31.5265 176.9707 52 D 4.3945 9.1444 123.8347 57.6776 41.0212 178.9245 53 G 3.8391 7.9685 104.5758 46.5095 0.0000 173.8113 54 R 4.3490 7.8516 119.8269 55.5848 30.9855 175.9440 55 T 4.9593 8.3581 110.6593 60.0337 71.1815 175.9560 56 L 3.9849 8.4863 122.0651 58.0181 41.4660 180.1517 57 S 4.1435 8.3127 114.2661 61.4518 62.6342 176.1477 58 D 4.2768 7.7971 121.7380 56.6258 40.5157 177.3395 59 Y 4.6586 6.9636 113.9219 56.5083 38.5486 174.8792 60 N 4.1539 7.9804 117.2826 54.4727 38.0046 174.0579 61 I 3.6583 7.7009 117.9032 60.5306 37.4156 175.6633 62 Q 4.6956 8.2892 124.5400 52.9056 31.7056 174.9322 63 K 4.1315 8.3561 117.5513 59.1135 32.4424 176.8652 64 E 3.9502 9.3367 120.7954 56.6545 27.8561 174.8177 65 S 4.5961 7.9675 115.7465 59.1072 64.3074 173.0853 66 T 5.2487 8.6265 117.8473 62.0196 70.6895 173.7647 67 L 5.0250 9.0189 125.9487 53.5039 44.5305 175.2989 68 H 5.2454 8.9827 119.7705 54.4627 31.3026 173.7494 69 L 5.1659 8.9968 123.8042 53.4623 44.6856 175.6687 70 V 4.8046 8.9168 118.6918 59.5466 35.9660 174.2134 71 L 5.0419 8.4545 121.8866 53.1370 43.8257 176.1990 72 R 4.4693 8.9289 124.6257 54.3441 31.5701 175.3869 73 L 4.3292 8.4040 126.1157 53.9319 42.5315 177.6155 74 R 3.9760 8.9242 119.6703 57.1574 30.6247 177.3291 75 G 4.2813 7.8137 108.6993 44.8276 0.0000 174.1437 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 8.16 4.44 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 Q 8.24 4.76 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 1.69 2.07 0.00 3 I 9.08 4.75 1.91 0.00 0.00 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 1.12 0.62 0.82 0.00 0.00 4 F 8.92 5.20 0.00 3.09 2.99 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 0.00 0.00 0.00 0.00 5 V 8.86 4.83 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.02 5.02 0.00 1.87 1.51 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.46 7.81 7 T 8.64 5.05 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 8.97 4.13 0.00 1.64 1.81 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.41 4.79 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 1.21 0.00 0.00 10 G 7.27 3.79 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 0.00 0.00 0.00 11 K 8.43 4.45 0.00 1.87 1.97 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 T 8.37 5.24 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 1.27 0.00 0.00 13 I 8.87 4.88 1.89 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 1.03 0.97 0.00 0.00 14 T 8.44 4.88 4.08 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 0.00 0.00 1.31 0.00 0.00 15 L 8.55 4.81 0.00 1.46 1.47 0.89 1.23 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 16 E 8.70 4.94 0.00 1.80 1.85 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 2.19 2.23 0.00 17 V 8.79 4.71 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 9.56 4.74 0.00 1.77 1.78 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 2.18 2.37 0.00 19 P 0.00 4.16 0.00 2.15 2.08 0.00 3.56 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 2.06 0.00 20 S 7.89 4.39 0.00 3.96 3.96 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 21 D 8.10 4.41 0.00 2.84 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 8.24 4.66 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 1.21 0.00 0.00 23 I 8.53 3.71 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.10 0.93 0.00 0.00 24 E 8.25 3.92 0.00 2.06 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 2.31 2.36 0.00 25 N 8.24 4.34 0.00 2.96 2.84 0.00 0.00 6.66 7.28 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 26 V 7.94 3.58 2.21 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.60 4.36 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 8.06 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.92 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.93 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 1.40 0.68 0.91 0.00 0.00 31 Q 8.27 4.03 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 32 D 8.06 4.34 0.00 2.83 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 33 K 7.90 4.19 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.71 4.64 0.00 2.03 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 0.00 2.23 2.43 0.00 35 G 8.21 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.00 1.87 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 0.58 0.92 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.62 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 2.26 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.12 0.00 3.59 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 2.12 2.10 0.00 39 D 8.05 4.54 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 8.04 4.74 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 41 Q 8.01 4.77 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 42 R 8.93 4.83 0.00 1.68 1.79 0.00 3.26 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 1.72 0.00 43 L 8.55 5.19 0.00 1.57 1.54 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.15 2.02 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 1.11 0.90 0.95 0.00 0.00 45 F 9.02 5.07 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.26 1.10 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 0.00 0.00 0.00 0.00 0.00 47 G 8.49 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 48 K 7.77 4.64 0.00 1.95 1.86 0.00 1.21 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.62 7.81 49 Q 8.44 4.65 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.83 4.28 0.00 1.44 1.39 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.00 4.66 0.00 2.04 1.90 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 2.30 2.38 0.00 52 D 9.14 4.39 0.00 2.76 2.76 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 0.00 0.00 0.00 53 G 7.97 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 7.85 4.35 0.00 2.14 1.53 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 55 T 8.36 4.96 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 1.25 0.00 0.00 56 L 8.49 3.98 0.00 1.84 1.69 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.14 0.00 4.01 4.16 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 58 D 7.80 4.28 0.00 2.61 2.24 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 59 Y 6.96 4.66 0.00 2.63 2.99 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 0.00 0.00 0.00 0.00 60 N 7.98 4.15 0.00 2.93 3.01 0.00 0.00 7.15 7.60 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 61 I 7.70 3.66 1.76 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 -0.30 -0.14 0.64 0.00 0.00 62 Q 8.29 4.70 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 63 K 8.36 4.13 0.00 1.84 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.34 3.95 0.00 2.23 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 2.26 2.49 0.00 65 S 7.97 4.60 0.00 3.84 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 66 T 8.63 5.25 4.32 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 1.15 0.00 0.00 67 L 9.02 5.03 0.00 1.56 1.57 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.98 5.25 0.00 3.19 3.24 0.00 5.75 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 9.00 5.17 0.00 1.71 1.50 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.92 4.80 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 0.68 0.00 0.00 0.94 0.00 0.00 71 L 8.45 5.04 0.00 1.51 1.57 0.93 0.83 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 72 R 8.93 4.47 0.00 1.77 1.80 0.00 3.26 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 73 L 8.40 4.33 0.00 1.66 1.59 0.92 0.98 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 74 R 8.92 3.98 0.00 1.80 1.88 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 75 G 7.81 4.28 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 0.00