NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4446 8.4798 120.2115 55.8674 32.2676 176.5993 2 P 4.2905 0.0000 0.0000 61.5799 32.1666 173.1766 3 D 4.6999 8.1882 113.0567 56.3518 43.8259 180.2359 4 F 4.2790 7.9805 114.3572 60.0826 37.4654 177.5786 5 C 4.5755 7.4961 115.2128 58.7666 40.0884 173.9580 6 L 4.3293 7.8237 119.2871 54.8745 42.2864 176.9536 7 E 4.1980 7.6548 118.2734 55.3108 29.9519 175.0977 8 P 4.4349 0.0000 0.0000 61.3510 32.3016 174.4726 9 P 3.6183 0.0000 0.0000 62.7628 31.3531 175.1826 10 Y 4.6050 7.8662 121.6705 55.9556 40.4006 175.2545 11 T 4.1287 8.4474 125.0950 65.9367 68.7845 175.9030 12 G 3.8279 6.7753 107.0717 44.0629 0.0000 170.6803 13 P 4.4913 0.0000 0.0000 63.7394 32.2386 177.1565 14 C 4.4923 7.8585 116.8136 57.0322 40.7314 173.5580 15 K 4.4595 8.2129 119.8259 56.0895 32.5212 176.3505 16 A 4.3751 7.7210 119.9372 50.9592 21.1015 177.6697 17 R 4.5930 8.2007 120.0872 54.5083 29.0738 173.4575 18 I 4.3384 8.2850 122.1599 59.2568 39.5390 174.8839 19 I 4.7054 8.2849 128.6651 60.4654 38.1315 175.3012 20 R 4.9212 8.0698 124.7882 54.5059 34.6318 173.7616 21 Y 5.5848 9.3321 116.7452 56.5488 41.8209 175.2883 22 F 5.7362 9.7936 116.6703 55.3371 42.0132 173.0243 23 Y 4.4594 9.7256 123.0827 57.4718 39.4824 174.3496 24 N 4.5726 8.3160 126.8699 51.7138 39.3019 175.3193 25 A 3.6726 8.3131 130.2551 54.5759 19.0160 178.8318 26 K 4.0678 8.0112 114.8709 59.4037 32.3103 178.6081 27 A 3.9568 8.0635 120.4655 53.1528 18.4547 177.3901 28 G 3.8625 8.0040 103.2869 46.1184 0.0000 172.8518 29 L 4.7647 7.0581 117.3973 54.2331 44.6819 174.9204 30 C 5.1430 8.6904 116.8149 56.2002 37.3775 173.4301 31 Q 4.8717 8.6600 122.3637 54.2004 32.3112 174.6573 32 T 5.3452 8.4565 110.3621 60.4124 71.0037 173.7716 33 F 4.9380 8.0682 115.4233 55.9533 41.2873 173.2375 34 V 4.1134 8.5495 120.8075 62.6228 31.9468 174.2775 35 Y 4.7482 9.2103 131.7211 55.9610 40.2738 176.4642 36 G 3.8134 8.0476 113.5041 46.0876 0.0000 174.6584 37 G 3.8515 6.1211 108.2043 45.6631 0.0000 172.8803 38 C 4.9339 7.1182 111.6632 55.1154 44.3967 173.2116 39 R 3.9042 8.8658 117.2235 56.9409 26.8890 176.6532 40 A 4.1811 8.4815 119.1763 52.8539 18.7334 178.3499 41 K 4.3873 8.2594 119.9078 54.8847 33.9401 177.2962 42 R 3.6926 8.1370 117.9017 58.4008 30.5444 177.4125 43 N 4.7574 7.8396 118.6235 51.0874 37.4369 174.8470 44 N 4.8976 6.4080 115.7595 53.1847 40.8284 173.0010 45 F 5.0524 9.1234 125.1345 55.5784 41.9412 177.0194 46 K 4.3123 8.8850 123.1140 58.2384 32.8209 177.7325 47 S 4.4862 7.7643 112.7082 55.2942 67.3452 174.2542 48 A 3.3437 7.1576 124.5765 55.5712 17.8919 180.0240 49 E 3.8593 7.7839 116.0352 59.1850 29.6678 178.9102 50 D 4.3155 7.7748 119.1586 56.8960 40.8371 177.8497 51 C 2.6488 7.6434 118.7268 59.5431 41.9894 175.4747 52 M 3.8240 7.9231 119.6280 58.1649 31.4998 178.2027 53 R 3.7680 7.6119 118.5099 59.5642 30.3478 178.3247 54 T 4.0749 7.4666 114.2056 66.1887 68.7566 175.6273 55 C 4.5885 7.9635 116.1085 55.8841 41.4043 174.3542 56 G 3.3271 7.0941 110.5227 46.4085 0.0000 172.7926 57 G 3.7053 8.5084 113.3921 45.0635 0.0000 173.4847 58 A 4.2819 7.3655 128.1108 52.0038 19.1390 176.8152 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 8.48 4.44 0.00 1.69 1.93 0.00 2.99 0.00 0.00 3.84 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 2 P 0.00 4.29 0.00 1.69 1.88 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.88 0.00 3 D 8.19 4.70 0.00 2.71 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 4 F 7.98 4.28 0.00 3.34 3.33 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 5 C 7.50 4.58 0.00 2.86 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 6 L 7.82 4.33 0.00 1.73 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.65 4.20 0.00 2.14 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 2.38 2.33 0.00 8 P 0.00 4.43 0.00 2.07 1.98 0.00 3.76 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 1.96 1.93 0.00 9 P 0.00 3.62 0.00 0.97 0.49 0.00 3.29 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 10 Y 7.87 4.61 0.00 2.82 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 11 T 8.45 4.13 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 1.19 0.00 0.00 12 G 6.78 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 13 P 0.00 4.49 0.00 2.17 2.18 0.00 3.78 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 1.95 2.01 0.00 14 C 7.86 4.49 0.00 2.85 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 15 K 8.21 4.46 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.34 7.81 16 A 7.72 4.38 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 17 R 8.20 4.59 0.00 1.75 1.79 0.00 3.34 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 1.46 1.53 0.00 18 I 8.28 4.34 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.97 0.00 0.00 19 I 8.28 4.71 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.73 0.00 0.00 20 R 8.07 4.92 0.00 0.86 1.76 0.00 3.40 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 21 Y 9.33 5.58 0.00 3.20 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 9.79 5.74 0.00 3.04 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 23 Y 9.73 4.46 0.00 3.09 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 24 N 8.32 4.57 0.00 2.07 2.43 0.00 0.00 6.65 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 25 A 8.31 3.67 1.31 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 26 K 8.01 4.07 0.00 1.77 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.37 7.81 27 A 8.06 3.96 1.17 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 0.00 0.00 28 G 8.00 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 0.00 0.00 0.00 29 L 7.06 4.76 0.00 1.70 1.72 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 5.14 0.00 2.94 3.25 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 31 Q 8.66 4.87 0.00 1.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 32 T 8.46 5.35 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 0.67 0.00 0.00 33 F 8.07 4.94 0.00 3.03 3.22 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 34 V 8.55 4.11 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 0.70 0.00 0.00 0.91 0.00 0.00 35 Y 9.21 4.75 0.00 2.38 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 36 G 8.05 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 37 G 6.12 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 0.00 0.00 0.00 38 C 7.12 4.93 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 8.87 3.90 0.00 2.23 2.29 0.00 3.32 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 40 A 8.48 4.18 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 8.26 4.39 0.00 1.76 1.70 0.00 1.34 0.00 0.00 1.47 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.13 7.81 42 R 8.14 3.69 0.00 1.19 0.68 0.00 2.28 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.00 43 N 7.84 4.76 0.00 3.09 2.86 0.00 0.00 6.73 7.79 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 44 N 6.41 4.90 0.00 2.66 2.56 0.00 0.00 7.09 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 9.12 5.05 0.00 3.40 2.96 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 46 K 8.89 4.31 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 7.76 4.49 0.00 3.97 3.87 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 48 A 7.16 3.34 0.98 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 0.00 0.00 49 E 7.78 3.86 0.00 1.98 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 2.34 2.37 0.00 50 D 7.77 4.32 0.00 2.72 2.81 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 51 C 7.64 2.65 0.00 2.89 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 52 M 7.92 3.82 0.00 2.03 2.08 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 2.58 2.49 0.00 53 R 7.61 3.77 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 54 T 7.47 4.07 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 1.59 0.00 0.00 55 C 7.96 4.59 0.00 2.59 2.18 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 56 G 7.09 3.33 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 57 G 8.51 3.71 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 0.00 0.00 0.00 58 A 7.37 4.28 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00