NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4191 8.1133 119.6682 55.7961 31.4517 175.1623 2 D 4.6624 8.8180 123.8621 54.2929 42.1261 174.4402 3 G 5.0639 9.4675 107.5385 44.3610 0.0000 172.7847 4 Y 5.1875 7.8965 110.1072 57.3608 39.5849 175.9046 5 P 4.4116 0.0000 0.0000 63.1982 32.2435 175.6222 6 L 3.2131 7.7239 118.1500 55.8030 39.2715 175.0632 7 A 4.0116 7.8784 121.9683 56.5619 18.6105 178.9535 8 S 4.6481 7.3951 114.7236 58.2029 62.5540 175.1196 9 N 4.3936 9.0472 125.3633 56.0424 39.2777 176.2877 10 G 4.2573 7.9029 106.8254 46.9961 0.0000 172.8731 11 C 5.0014 7.4678 115.7475 55.8210 41.4296 172.4135 12 K 3.8181 7.2792 124.3130 56.6811 33.0799 178.5431 13 F 5.5495 7.2411 122.7022 56.4335 41.7594 176.5462 14 G 3.8358 8.7705 112.7140 45.8421 0.0000 171.4003 15 C 3.8546 9.1505 129.0939 56.8201 40.9536 173.4271 16 S 4.4859 8.3251 120.3585 57.4879 63.4774 174.8045 17 G 3.7854 9.1416 117.8460 49.2709 0.0000 173.5889 18 L 4.1245 6.8896 121.1916 52.1887 40.4900 175.1254 19 G 4.0885 7.0315 106.3664 44.7688 0.0000 170.7344 20 E 4.3014 8.2026 118.4723 55.6407 31.2566 177.0121 21 N 4.5852 8.5806 117.9298 53.9258 37.9921 175.7538 22 N 5.0901 8.1448 127.2312 51.0174 37.6636 174.2260 23 P 4.5115 0.0000 0.0000 64.5092 32.0182 177.2888 24 T 3.9213 8.0363 117.3305 67.1711 68.2324 176.0380 25 C 3.8799 8.4425 119.9776 60.3779 37.4592 175.0449 26 N 4.2719 8.3370 118.0269 56.3915 38.1805 176.9194 27 H 4.4693 7.8312 117.9607 58.3262 29.1257 177.6598 28 V 3.4869 8.3674 120.4295 66.4154 31.1949 177.4109 29 C 4.1060 7.7090 115.4629 59.8274 39.4764 175.3345 30 E 4.3090 7.9246 116.2209 57.7105 29.1294 177.1264 31 K 4.3387 7.7354 119.3576 58.0119 33.2782 177.4023 32 K 4.1551 8.2540 121.7387 58.7013 33.4053 177.7254 33 A 4.4940 8.0460 120.6330 51.5041 19.7507 176.8020 34 G 4.2216 8.0315 103.0089 46.3209 0.0000 173.0426 35 S 4.8157 8.0770 111.7248 56.2992 65.9906 172.9462 36 D 4.7832 8.6427 119.4788 53.7742 39.9500 176.1693 37 Y 4.3744 8.0241 123.3841 57.0290 39.2053 173.9102 38 G 4.5677 8.2887 111.8998 44.2050 0.0000 169.2852 39 Y 4.9041 8.6977 122.2445 55.7704 41.9567 173.2142 40 C 4.9288 8.7807 126.7394 55.3507 45.5392 171.1521 41 Y 4.5460 8.3557 124.2281 58.8091 41.0279 175.1430 42 A 4.1334 7.3746 125.6358 51.6673 19.7957 178.4162 43 W 4.7214 7.6587 110.5706 55.0381 27.8828 173.9271 44 T 4.9207 6.6186 112.6134 62.4422 70.4111 172.7059 45 C 5.2636 8.1780 122.1434 55.0751 42.7467 172.2694 46 Y 4.7862 8.8997 122.5054 56.8638 41.3549 173.2175 47 C 5.9725 8.4257 118.4746 57.2872 46.2423 171.7186 48 E 5.1636 8.6553 121.9292 55.1711 32.4568 175.3021 49 H 4.5236 8.5489 119.6574 57.0953 27.0652 176.2411 50 V 4.1656 7.3636 115.0234 62.4044 32.9404 177.3267 51 A 4.4140 7.3849 117.2549 52.3105 18.8552 177.6962 52 E 4.2281 7.8306 119.1604 55.7108 28.3841 176.0894 53 G 4.0570 7.9872 108.1984 45.9763 0.0000 172.7735 54 T 4.0781 6.7054 112.4991 63.7082 68.9717 173.5417 55 V 4.1579 7.7921 115.0494 60.8503 31.9289 176.7869 56 L 3.9980 6.7312 120.1889 54.5119 42.6268 174.9366 57 W 6.0578 7.5456 121.8223 55.9046 31.2105 175.4391 58 G 4.4127 8.3268 106.2830 46.3191 0.0000 171.5872 59 D 4.5564 8.9267 123.8621 55.0667 39.2251 176.6798 60 S 4.5417 9.3792 112.7477 59.6300 63.9192 174.6276 61 G 4.1058 8.0127 106.7576 46.8335 0.0000 173.2420 62 T 3.9772 7.1784 115.9124 62.0739 68.5459 173.4888 63 G 4.3100 8.8829 115.8919 44.5196 0.0000 172.2417 64 P 4.7026 0.0000 0.0000 62.4401 33.5746 178.4418 65 C 4.9656 8.5314 115.5952 58.6026 36.7681 174.9323 66 R 5.4019 6.2355 121.3936 54.8222 34.9103 177.0875 67 S 4.4920 8.8066 114.3179 58.7317 63.0847 174.0244 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 8.11 4.42 0.00 1.86 1.97 0.00 3.16 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 2 D 8.82 4.66 0.00 2.85 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 3 G 9.47 5.06 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 0.00 0.00 0.00 4 Y 7.90 5.19 0.00 2.99 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 5 P 0.00 4.41 0.00 2.10 2.17 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 6 L 7.72 3.21 0.00 1.80 1.74 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.88 4.01 0.28 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 8 S 7.40 4.65 0.00 4.00 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 9 N 9.05 4.39 0.00 2.74 2.91 0.00 0.00 7.25 8.03 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 10 G 7.90 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 0.00 0.00 0.00 0.00 11 C 7.47 5.00 0.00 2.92 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 12 K 7.28 3.82 0.00 1.27 0.74 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.99 7.81 13 F 7.24 5.55 0.00 3.12 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 14 G 8.77 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 15 C 9.15 3.85 0.00 3.15 3.19 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 16 S 8.33 4.49 0.00 3.97 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 17 G 9.14 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 18 L 6.89 4.12 0.00 1.39 1.35 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.03 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 20 E 8.20 4.30 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 21 N 8.58 4.59 0.00 2.67 2.77 0.00 0.00 6.64 7.80 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 22 N 8.14 5.09 0.00 2.98 2.97 0.00 0.00 5.99 7.87 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 23 P 0.00 4.51 0.00 2.30 2.32 0.00 3.82 0.00 0.00 3.72 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 24 T 8.04 3.92 4.43 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 0.00 0.00 1.27 0.00 0.00 25 C 8.44 3.88 0.00 3.03 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 26 N 8.34 4.27 0.00 2.61 2.68 0.00 0.00 6.87 7.67 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 27 H 7.83 4.47 0.00 3.22 3.33 0.00 6.12 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.37 3.49 1.81 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 0.53 0.00 0.00 0.99 0.00 0.00 29 C 7.71 4.11 0.00 3.14 3.31 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 30 E 7.92 4.31 0.00 2.20 2.16 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 2.50 2.36 0.00 31 K 7.74 4.34 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.46 7.81 32 K 8.25 4.16 0.00 1.99 1.92 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.43 7.81 33 A 8.05 4.49 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 34 G 8.03 4.22 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 0.00 35 S 8.08 4.82 0.00 4.01 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 36 D 8.64 4.78 0.00 2.80 2.80 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 0.00 0.00 0.00 37 Y 8.02 4.37 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.29 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.90 0.00 3.13 2.82 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 0.00 0.00 0.00 0.00 40 C 8.78 4.93 0.00 2.92 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 41 Y 8.36 4.55 0.00 2.55 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 42 A 7.37 4.13 0.82 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 0.00 0.00 0.00 0.00 0.00 0.00 43 W 7.66 4.72 0.00 3.50 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 44 T 6.62 4.92 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 1.37 0.00 0.00 45 C 8.18 5.26 0.00 3.23 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 46 Y 8.90 4.79 0.00 2.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.43 5.97 0.00 2.90 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 48 E 8.66 5.16 0.00 2.26 1.75 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 1.83 2.33 0.00 49 H 8.55 4.52 0.00 3.41 3.37 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.36 4.17 2.36 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 0.70 0.00 0.00 1.15 0.00 0.00 51 A 7.38 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.83 4.23 0.00 1.97 1.92 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 2.29 2.38 0.00 53 G 7.99 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 0.00 0.00 0.00 54 T 6.71 4.08 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 1.25 0.00 0.00 55 V 7.79 4.16 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 0.72 0.00 0.00 0.97 0.00 0.00 56 L 6.73 4.00 0.00 1.14 0.66 0.63 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 57 W 7.55 6.06 0.00 3.26 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 58 G 8.33 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.56 0.00 2.89 2.16 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 60 S 9.38 4.54 0.00 3.92 3.85 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 0.00 0.00 0.00 61 G 8.01 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 0.00 0.00 0.00 0.00 62 T 7.18 3.98 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 1.29 0.00 0.00 63 G 8.88 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 64 P 0.00 4.70 0.00 2.26 2.08 0.00 3.98 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 65 C 8.53 4.97 0.00 3.04 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 66 R 6.24 5.40 0.00 1.87 2.02 0.00 3.18 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 67 S 8.81 4.49 0.00 3.93 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