NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3632 8.1133 119.6565 56.1661 32.0570 174.2431 5 E 4.7311 8.5407 121.2100 53.6311 32.0302 174.0257 6 C 4.4321 9.7463 124.0684 59.1750 32.6146 173.9594 7 D 4.4645 8.7098 125.9436 55.9026 39.8717 175.5465 8 Y 4.5074 7.5760 117.8508 58.6355 41.3280 176.2169 9 C 4.0415 8.1231 113.9774 58.6486 30.8602 174.8483 10 G 3.8857 8.3727 108.2433 45.3623 0.0000 173.6013 11 T 4.4019 7.5535 108.9252 61.1040 70.1593 173.3275 12 D 4.9577 8.5493 121.6842 54.3324 41.9326 176.3788 13 I 4.2530 8.6522 124.0388 59.6004 37.9866 175.5390 14 E 3.8523 9.0350 128.5210 55.7141 29.7113 174.9681 15 P 4.2847 0.0000 0.0000 64.3291 31.6787 175.7455 16 G 3.8083 9.6313 106.9226 46.6181 0.0000 172.9318 17 T 4.4165 7.7951 114.0384 62.8689 72.6936 174.1267 18 G 4.0906 8.6570 111.7431 45.5214 0.0000 172.5698 19 T 4.8434 8.5181 113.8302 61.7537 72.9773 173.1848 20 M 5.0741 8.6884 123.1424 53.8918 34.5030 174.3798 21 F 4.7416 9.4813 129.8800 57.0539 41.3499 174.5593 22 V 4.2786 7.5819 126.5601 61.3483 31.9250 175.2243 23 H 4.1174 8.3417 125.6187 55.1993 29.3853 176.7871 24 K 3.8373 8.7489 122.3919 59.7444 31.9061 177.3033 25 D 4.5224 8.0026 114.7562 53.6600 39.6557 176.8713 26 G 3.8314 8.0815 108.7569 44.9284 0.0000 173.4083 27 A 4.3571 8.4390 122.3188 52.3965 20.1260 176.5777 28 T 5.0528 8.2154 114.4441 62.6269 72.5532 174.0213 29 T 4.6245 9.0070 123.2134 62.0477 71.6847 172.8108 30 H 5.0941 10.2169 125.8336 54.7409 30.3819 174.2889 31 F 5.3492 9.4431 123.3588 55.9580 40.8223 176.9570 32 C 4.3650 9.1292 117.2362 60.2189 30.6199 173.5889 33 S 4.6066 7.5869 114.2544 56.3081 66.3348 175.4056 34 S 4.3221 8.3912 118.1238 60.6595 62.7133 175.9872 35 K 3.7583 8.0662 122.8552 59.6595 31.7002 178.2420 36 C 4.1376 7.6346 116.1323 62.8649 28.0208 175.6430 37 E 2.5400 7.4037 119.5191 59.3614 28.7670 179.4587 38 N 4.1832 8.3243 115.1536 56.2826 38.7875 176.9871 39 N 4.5271 8.1215 117.8346 55.9831 38.6839 177.3547 40 A 4.0700 7.7707 122.4929 55.3821 18.2854 179.4336 41 D 4.4624 8.0451 116.4005 57.2147 40.9132 178.3649 42 L 4.2883 7.4456 116.9911 55.1171 41.7848 177.8140 43 G 3.9484 8.2934 107.6833 45.6101 0.0000 173.8220 44 R 4.3161 7.7758 117.5415 55.3273 31.2769 175.5760 45 E 4.5341 8.5002 120.4783 54.3892 31.2001 176.8493 46 A 3.5191 8.2674 126.7744 55.2935 18.3051 179.5682 47 R 3.8839 7.6517 112.8788 58.4983 30.2837 176.9708 48 N 4.5561 8.1548 114.0709 52.8612 38.9986 174.7828 49 L 4.4543 7.2325 119.9472 52.6414 42.2296 176.6327 50 E 3.8479 8.9511 124.8319 59.3056 29.4461 179.0308 51 W 4.4478 7.8568 112.6675 57.9186 28.8197 176.2341 52 T 4.0064 7.2873 117.8460 62.7846 68.8010 175.2312 53 D 4.3208 8.8661 125.7989 58.0927 41.0878 178.6635 54 T 3.7738 7.8575 114.2783 66.9311 68.6734 175.1292 55 A 4.0053 7.8782 122.1254 55.3346 18.5275 177.5573 56 R 4.0734 8.3456 117.9451 56.6469 30.0123 176.7859 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 4 R 8.11 4.36 0.00 1.77 1.89 0.00 3.02 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 5 E 8.54 4.73 0.00 2.01 1.84 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 2.63 2.49 0.00 6 C 9.75 4.43 0.00 3.02 2.91 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 7 D 8.71 4.46 0.00 2.53 2.63 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 8 Y 7.58 4.51 0.00 2.94 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 9 C 8.12 4.04 0.00 3.15 3.39 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 10 G 8.37 3.89 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 0.00 0.00 0.00 11 T 7.55 4.40 4.30 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 1.34 0.00 0.00 12 D 8.55 4.96 0.00 2.61 2.65 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 13 I 8.65 4.25 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.96 0.00 0.00 14 E 9.03 3.85 0.00 1.92 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 2.32 2.41 0.00 15 P 0.00 4.28 0.00 2.23 2.06 0.00 3.91 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 2.00 1.99 0.00 16 G 9.63 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 0.00 0.00 0.00 17 T 7.80 4.42 4.59 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 0.00 0.00 1.25 0.00 0.00 18 G 8.66 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 0.00 0.00 0.00 19 T 8.52 4.84 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 1.31 0.00 0.00 20 M 8.69 5.07 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 21 F 9.48 4.74 0.00 3.31 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 22 V 7.58 4.28 1.82 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 0.77 0.00 0.00 0.82 0.00 0.00 23 H 8.34 4.12 0.00 3.35 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.75 3.84 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 8.00 4.52 0.00 2.83 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 26 G 8.08 3.83 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 0.00 0.00 0.00 27 A 8.44 4.36 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 28 T 8.22 5.05 4.25 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 1.14 0.00 0.00 29 T 9.01 4.62 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 0.45 0.00 0.00 30 H 10.22 5.09 0.00 3.11 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.44 5.35 0.00 3.02 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 32 C 9.13 4.36 0.00 3.17 3.17 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 33 S 7.59 4.61 0.00 4.04 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 34 S 8.39 4.32 0.00 3.98 4.10 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 35 K 8.07 3.76 0.00 1.75 1.84 0.00 1.37 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.46 1.40 7.81 36 C 7.63 4.14 0.00 3.20 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 37 E 7.40 2.54 0.00 1.75 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 1.47 1.64 0.00 38 N 8.32 4.18 0.00 2.74 2.80 0.00 0.00 7.16 7.64 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 39 N 8.12 4.53 0.00 3.03 3.11 0.00 0.00 6.84 7.96 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 40 A 7.77 4.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.46 0.00 2.62 2.65 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 42 L 7.45 4.29 0.00 1.82 1.73 0.94 1.26 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 43 G 8.29 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.78 4.32 0.00 2.13 1.97 0.00 3.29 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 45 E 8.50 4.53 0.00 1.98 1.80 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 2.33 2.30 0.00 46 A 8.27 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.65 3.88 0.00 1.72 1.91 0.00 3.12 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 48 N 8.15 4.56 0.00 2.71 2.81 0.00 0.00 6.83 7.73 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 49 L 7.23 4.45 0.00 1.18 0.89 1.00 1.44 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 50 E 8.95 3.85 0.00 2.01 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 0.00 2.32 2.33 0.00 51 W 7.86 4.45 0.00 3.55 3.23 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 0.00 52 T 7.29 4.01 3.99 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 1.02 0.00 0.00 53 D 8.87 4.32 0.00 2.94 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 54 T 7.86 3.77 4.01 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 1.07 0.00 0.00 55 A 7.88 4.01 1.23 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 0.00 0.00 0.00 56 R 8.35 4.07 0.00 1.94 1.86 0.00 3.23 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00