NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4214 8.4345 117.1007 58.0571 64.0074 174.6838 *5 W 4.3433 7.8787 118.7418 54.8986 27.2198 170.8452 6 H 4.6059 7.9114 126.8855 55.6308 31.7709 174.3380 7 R 4.1864 7.8710 118.2861 55.1406 30.3819 176.3716 8 P 4.6522 0.0000 0.0000 64.1234 32.2536 175.5698 9 D 4.9253 8.0386 117.2536 51.8304 43.9093 172.3650 10 K 4.2015 8.7823 120.4680 56.8513 32.9049 176.7241 11 C 5.1943 8.7595 122.3000 55.1732 43.5656 174.5548 12 C 4.6234 8.7210 119.5314 56.1469 40.2536 173.6073 13 L 4.1113 8.3890 124.4766 54.8800 42.6775 176.3314 14 G 3.9565 7.3697 105.2384 44.1415 0.0000 170.4555 15 Y 5.0899 7.9081 115.9473 55.5693 41.4871 175.3353 16 Q 4.3621 8.8871 122.6951 55.9766 29.7187 175.6010 17 K 4.3103 8.5710 124.4821 59.2527 33.6328 177.1391 18 R 3.8390 7.5683 119.4840 53.8900 30.5150 175.1322 19 P 2.0000 0.0000 0.0000 61.8604 31.7876 175.5920 20 L 4.3066 7.5428 120.7716 52.7240 42.9182 175.1649 21 P 4.2963 0.0000 0.0000 62.5133 31.8849 177.2881 22 Q 3.9479 8.6949 123.2279 58.6578 29.2149 178.0190 23 V 3.7181 7.7651 116.1399 64.8660 31.8622 176.1503 24 L 4.4254 8.1698 118.7576 55.0394 42.4948 175.7847 25 L 5.1281 7.5013 119.4321 52.9816 42.8608 176.6016 26 S 4.4371 9.0350 119.5082 59.2647 63.4845 173.6399 27 S 5.0202 7.5655 114.9181 58.4120 65.5678 175.1058 28 W 5.7666 7.8585 115.8826 56.1080 32.0321 173.0891 29 Y 4.6547 9.3234 116.9788 55.1543 40.6810 172.4776 30 P 5.0413 0.0000 0.0000 62.9266 32.6686 175.9093 31 T 4.4858 8.7403 113.1031 60.6353 70.5379 174.3802 32 S 4.3033 7.9850 118.0518 58.5476 63.2804 175.5171 33 Q 4.2151 8.5359 120.3809 57.8841 28.7067 177.0701 34 L 4.3150 7.4609 117.1208 55.3683 42.2343 176.5383 35 C 4.2032 7.7324 116.0789 57.1995 40.8943 173.9814 36 S 4.2418 8.6590 117.6565 60.9602 62.0768 174.8048 37 K 4.7418 7.5385 116.1645 53.5069 35.9350 174.1623 38 P 4.4328 0.0000 0.0000 62.8710 31.9942 176.0026 39 G 4.3334 8.6118 109.4123 44.6701 0.0000 171.6339 40 V 4.7327 8.1320 116.3356 59.3728 34.7224 174.9299 41 I 4.8096 8.1902 123.8298 59.5360 40.4312 174.4545 42 F 5.2836 9.0850 126.1733 56.3391 41.1150 174.7658 43 L 5.2433 10.0450 124.3945 53.5876 43.4109 176.3750 44 T 4.9091 9.3001 115.3111 60.8882 70.2022 176.3539 45 K 4.2425 9.2399 122.9809 59.2070 32.1613 178.1573 46 R 4.1960 7.9350 116.4892 56.2599 30.2481 176.4606 47 G 4.0954 8.6496 105.5226 45.8348 0.0000 173.7328 48 R 4.4473 8.3509 119.2046 55.4004 32.0101 175.6954 49 Q 4.9672 8.6906 121.6393 54.7610 30.0768 175.0474 50 V 4.4741 8.7847 125.5469 61.0425 34.1550 174.0865 51 C 5.0889 8.9245 125.5684 56.9578 37.1460 172.4634 52 A 5.2410 8.8836 124.7028 50.0474 22.9957 174.4414 53 D 3.8108 8.3114 121.6735 53.0913 42.1415 176.8217 54 K 4.0283 8.3600 123.6311 57.4026 32.6036 177.4954 55 S 4.3198 7.9691 115.9429 60.4573 64.0096 175.8534 56 K 3.9339 7.0731 118.8813 56.6861 33.8874 177.2619 57 D 4.4419 8.5418 120.5958 55.2132 41.2986 178.5316 58 W 4.4884 7.8823 117.4564 58.6463 28.5667 178.4200 59 V 3.3890 6.6944 112.6804 63.3338 31.3806 178.2532 60 K 3.7865 7.2772 117.7317 59.0362 31.7221 179.2424 61 K 3.9729 7.6158 118.8733 59.3048 32.1793 178.8149 62 L 4.1239 7.3775 118.5202 57.4393 41.2879 179.3639 63 M 3.1558 8.1313 118.9220 57.8532 31.8950 178.3532 64 Q 4.1811 7.8464 116.4319 59.5888 28.8790 177.9788 65 Q 4.1546 7.4741 119.3722 57.0457 29.1933 177.6992 66 L 4.9013 7.1144 116.9660 52.2161 43.7141 174.4509 67 P 4.8167 0.0000 0.0000 62.4621 33.0121 175.7033 68 V 3.1546 8.0530 120.8888 61.5768 32.5772 175.2402 69 T 4.2298 8.1690 120.1343 62.1430 69.1874 174.3632 70 A 3.8273 8.9305 132.4080 55.6708 18.6579 178.1666 71 R 4.1001 7.4967 116.4642 56.0949 29.8182 178.3121 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 S 8.43 4.42 0.00 3.65 3.76 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 *5 W 7.88 4.34 0.00 2.58 2.12 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 6 H 7.91 4.61 0.00 3.05 3.18 0.00 5.72 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.87 4.19 0.00 1.87 1.70 0.00 3.32 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 8 P 0.00 4.65 0.00 2.18 2.13 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 9 D 8.04 4.93 0.00 2.42 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 10 K 8.78 4.20 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.53 7.81 11 C 8.76 5.19 0.00 2.81 2.95 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 12 C 8.72 4.62 0.00 2.99 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 13 L 8.39 4.11 0.00 1.54 1.63 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.37 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 0.00 0.00 0.00 15 Y 7.91 5.09 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.89 4.36 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 17 K 8.57 4.31 0.00 1.88 1.95 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.57 7.81 18 R 7.57 3.84 0.00 1.59 1.74 0.00 3.16 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 19 P 0.00 2.00 0.00 1.45 0.93 0.00 3.24 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.00 20 L 7.54 4.31 0.00 1.58 1.53 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.30 0.00 2.18 2.13 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 22 Q 8.69 3.95 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 23 V 7.77 3.72 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 0.86 0.00 0.00 0.92 0.00 0.00 24 L 8.17 4.43 0.00 1.98 1.70 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.50 5.13 0.00 1.66 1.78 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.03 4.44 0.00 4.01 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 27 S 7.57 5.02 0.00 4.14 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 28 W 7.86 5.77 0.00 3.18 3.14 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 29 Y 9.32 4.65 0.00 2.71 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 30 P 0.00 5.04 0.00 2.17 2.30 0.00 3.70 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 31 T 8.74 4.49 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 1.24 0.00 0.00 32 S 7.99 4.30 0.00 4.10 4.06 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 0.00 0.00 0.00 33 Q 8.54 4.22 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 34 L 7.46 4.31 0.00 1.60 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.73 4.20 0.00 3.14 3.18 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 36 S 8.66 4.24 0.00 3.82 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 37 K 7.54 4.74 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.39 7.81 38 P 0.00 4.43 0.00 2.16 2.07 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 39 G 8.61 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 0.00 0.00 0.00 0.00 40 V 8.13 4.73 1.65 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 0.44 0.00 0.00 0.39 0.00 0.00 41 I 8.19 4.81 0.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.85 0.67 0.00 0.00 42 F 9.08 5.28 0.00 3.13 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 43 L 10.05 5.24 0.00 1.94 1.72 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.30 4.91 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 1.29 0.00 0.00 45 K 9.24 4.24 0.00 1.76 1.95 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.61 7.81 46 R 7.93 4.20 0.00 1.79 1.95 0.00 3.21 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 G 8.65 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 0.00 0.00 0.00 48 R 8.35 4.45 0.00 1.88 1.90 0.00 3.09 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 49 Q 8.69 4.97 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 50 V 8.78 4.47 2.31 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 1.20 0.00 0.00 1.04 0.00 0.00 51 C 8.92 5.09 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.88 5.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 3.81 0.00 1.58 1.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.03 0.00 1.69 1.67 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.31 7.81 55 S 7.97 4.32 0.00 3.89 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 56 K 7.07 3.93 0.00 1.71 1.58 0.00 1.37 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.64 7.81 57 D 8.54 4.44 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 58 W 7.88 4.49 0.00 3.51 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 59 V 6.69 3.39 1.72 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 -0.87 0.00 0.00 0.55 0.00 0.00 60 K 7.28 3.79 0.00 1.78 1.75 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.23 7.81 61 K 7.62 3.97 0.00 2.14 1.82 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 62 L 7.38 4.12 0.00 1.99 1.59 0.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.13 3.16 0.00 1.44 1.86 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.81 0.00 64 Q 7.85 4.18 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 65 Q 7.47 4.15 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 66 L 7.11 4.90 0.00 2.16 1.87 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.82 0.00 2.11 2.20 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 68 V 8.05 3.15 1.34 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 0.50 0.00 0.00 0.08 0.00 0.00 69 T 8.17 4.23 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 1.14 0.00 0.00 70 A 8.93 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.50 4.10 0.00 1.83 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.