NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1384 8.2549 117.2600 54.8247 30.9387 175.1764 2 P 4.0218 0.0000 0.0000 62.3301 32.0390 176.0617 3 D 4.3542 8.3498 121.1221 57.2940 41.6002 178.7580 4 F 4.3818 7.8488 114.6711 59.8109 37.6253 177.5537 5 C 4.6498 7.2609 115.4901 58.7783 39.9935 174.6098 6 L 4.3075 7.8104 119.4358 54.3213 42.3058 176.7715 7 E 4.1988 7.8997 119.4102 55.4886 30.0211 174.9971 8 P 4.6408 0.0000 0.0000 60.9576 32.6702 174.2326 9 P 3.6071 0.0000 0.0000 62.6827 31.3594 175.2258 10 Y 4.6166 7.7658 121.1816 56.0605 40.5136 175.3733 11 T 4.2293 8.2777 125.2940 64.6671 68.9257 176.2175 12 G 3.7664 6.7627 105.2220 44.0212 0.0000 171.4614 13 P 4.2730 0.0000 0.0000 65.1840 31.7190 177.7582 14 C 4.4657 7.9007 116.5282 56.8297 40.6305 173.8233 15 K 4.1483 8.2051 118.4774 56.8791 33.1067 176.4365 16 A 4.1873 7.8401 122.8052 52.0369 19.9761 177.0343 17 R 5.0287 8.1541 117.2122 54.1494 30.4166 174.1626 18 I 4.4469 8.5004 122.8498 59.2747 40.0994 174.8944 19 I 4.2930 8.1572 126.9808 61.1942 38.0167 175.3511 20 R 4.6520 8.3370 124.2676 54.8590 35.1557 173.4586 21 Y 5.6561 9.3442 118.0330 56.7858 41.1866 175.1416 22 F 5.7172 9.3651 115.6319 55.7603 42.3871 172.6943 23 Y 4.4391 9.8492 123.0169 57.1405 40.0286 174.1169 24 N 4.3605 8.4203 126.7972 51.4992 38.2968 174.8212 25 A 3.7817 8.4444 128.4147 55.0485 18.6430 178.9064 26 K 3.9465 8.2015 113.0031 59.2539 32.1436 177.9273 27 A 4.1921 7.9003 119.0691 51.5425 19.5960 176.8641 28 G 4.1439 7.8712 104.2313 45.3215 0.0000 172.9340 29 L 4.5663 6.5836 117.7558 53.9052 46.0105 174.8017 30 C 5.0557 8.6542 120.5051 56.2683 42.7445 172.7490 31 Q 4.8108 8.6473 120.7190 54.6345 33.5157 174.1457 32 T 5.0750 8.4796 110.6133 61.3339 70.8570 173.7739 33 F 4.8448 8.4347 115.2031 56.0794 41.6737 173.1976 34 V 4.2314 8.4766 120.7432 62.2932 32.0630 174.3741 35 Y 4.7778 8.9870 130.9770 56.5115 40.0759 176.3917 36 G 3.9005 8.3560 113.3529 46.1114 0.0000 175.0611 37 G 3.7838 6.5532 106.9644 45.3325 0.0000 172.1546 38 C 4.8408 7.3098 111.8781 55.0181 44.4048 173.0394 39 R 3.7909 8.7113 115.8854 57.2928 27.0302 176.9014 40 A 4.3449 8.1983 118.6629 52.2620 19.2655 177.6257 41 K 4.4776 8.0890 119.2275 54.2214 34.7324 177.0515 42 R 3.4842 8.2713 118.6755 59.3890 30.1667 177.9134 43 N 4.7153 7.6143 116.7428 51.4520 37.1268 173.5248 44 N 4.9811 6.8589 116.3807 52.7525 41.1107 173.1012 45 F 4.9331 9.4475 125.7822 55.4076 41.5845 177.0499 46 K 4.2026 8.9807 126.1759 58.2288 32.8417 177.2338 47 S 4.7810 7.9923 112.5307 55.8788 65.4420 174.2474 48 A 3.2335 7.8969 130.4900 54.8630 18.2595 179.1331 49 E 3.7356 7.9859 117.3172 59.7874 29.5301 178.7919 50 D 4.2700 7.9644 118.6262 57.2163 40.7939 177.8452 51 C 2.4500 7.5420 118.8072 59.3986 43.6076 175.7121 52 M 3.8606 7.7610 118.3580 58.0339 30.4738 178.3923 53 R 3.8440 7.4160 119.0338 59.3658 30.3620 178.2139 54 T 4.0235 7.6973 114.7409 66.1142 68.6670 175.4441 55 C 4.4371 8.0536 116.0630 56.7959 41.5364 174.2020 56 G 3.5576 7.4888 113.9705 45.5131 0.0000 173.4124 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 R 8.25 4.14 0.00 1.73 1.81 0.00 3.00 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 2 P 0.00 4.02 0.00 0.96 1.55 0.00 3.29 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 3 D 8.35 4.35 0.00 2.74 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 4 F 7.85 4.38 0.00 3.27 3.36 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 0.00 0.00 0.00 5 C 7.26 4.65 0.00 2.92 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 6 L 7.81 4.31 0.00 1.81 1.76 1.02 0.79 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 7 E 7.90 4.20 0.00 2.05 1.91 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 2.39 2.51 0.00 8 P 0.00 4.64 0.00 2.10 2.03 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 9 P 0.00 3.61 0.00 0.65 0.49 0.00 3.36 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.00 10 Y 7.77 4.62 0.00 2.75 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 11 T 8.28 4.23 4.13 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 1.21 0.00 0.00 12 G 6.76 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 13 P 0.00 4.27 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 14 C 7.90 4.47 0.00 2.87 2.98 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 15 K 8.21 4.15 0.00 1.78 1.86 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.42 7.81 16 A 7.84 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.15 5.03 0.00 1.60 1.78 0.00 3.15 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.50 4.45 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.93 0.00 0.00 19 I 8.16 4.29 1.77 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 1.22 0.39 0.59 0.00 0.00 20 R 8.34 4.65 0.00 0.71 1.75 0.00 3.42 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 21 Y 9.34 5.66 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.37 5.72 0.00 3.08 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 23 Y 9.85 4.44 0.00 3.16 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 24 N 8.42 4.36 0.00 2.14 2.43 0.00 0.00 6.62 8.29 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 25 A 8.44 3.78 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.95 0.00 1.92 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 27 A 7.90 4.19 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 28 G 7.87 4.14 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 0.00 0.00 0.00 29 L 6.58 4.57 0.00 1.66 1.32 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 5.06 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 31 Q 8.65 4.81 0.00 1.62 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 32 T 8.48 5.08 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 0.98 0.00 0.00 33 F 8.43 4.84 0.00 2.95 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 34 V 8.48 4.23 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 0.90 0.00 0.00 35 Y 8.99 4.78 0.00 2.59 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 G 8.36 3.90 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 0.00 0.00 0.00 37 G 6.55 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.31 4.84 0.00 3.06 2.98 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 39 R 8.71 3.79 0.00 2.14 2.35 0.00 3.32 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 A 8.20 4.34 1.03 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 41 K 8.09 4.48 0.00 1.69 1.77 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.06 1.04 7.81 42 R 8.27 3.48 0.00 1.43 0.66 0.00 2.82 0.00 0.00 2.90 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.00 43 N 7.61 4.72 0.00 3.11 2.86 0.00 0.00 6.97 7.45 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 44 N 6.86 4.98 0.00 2.66 2.54 0.00 0.00 7.12 7.02 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 45 F 9.45 4.93 0.00 3.29 3.16 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 46 K 8.98 4.20 0.00 1.79 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 7.99 4.78 0.00 3.91 3.86 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 48 A 7.90 3.23 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.74 0.00 1.96 1.89 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 2.32 2.35 0.00 50 D 7.96 4.27 0.00 2.98 2.78 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 0.00 0.00 0.00 51 C 7.54 2.45 0.00 2.83 3.03 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 52 M 7.76 3.86 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 53 R 7.42 3.84 0.00 1.84 1.88 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.70 4.02 4.11 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 0.00 0.00 0.00 1.52 0.00 0.00 55 C 8.05 4.44 0.00 2.61 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 0.00 0.00 0.00 56 G 7.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00