NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.4503 8.4449 120.3678 56.1982 31.0179 172.0195 3 Y 4.7491 7.3785 119.2494 55.7595 39.4930 172.7890 4 E 4.2308 9.3045 122.3647 56.5323 31.1914 176.0451 5 E 4.6189 8.5041 119.7106 55.1337 33.5856 175.4174 6 G 3.9154 8.7434 106.2578 43.7868 0.0000 171.3934 7 P 4.2451 0.0000 0.0000 64.1309 31.4818 177.5313 8 G 3.8576 8.8442 110.1786 45.6241 0.0000 173.7622 9 K 4.3725 8.0729 117.7983 56.0667 33.4975 176.2336 10 N 4.9360 7.7648 116.6504 51.9804 37.6333 174.5911 11 I 4.4510 6.9817 110.2524 59.8114 40.7115 173.1001 12 P 4.8218 0.0000 0.0000 62.6436 31.3446 175.3128 13 F 4.9728 6.4489 112.8415 55.1187 40.6607 174.2233 14 S 4.5384 8.5180 115.6327 57.5372 63.1921 174.0832 15 V 4.4697 7.9819 118.9432 61.0706 32.3141 176.3531 16 E 3.9798 8.2333 123.7615 58.4971 29.6860 176.7802 17 N 4.9365 7.8705 117.2309 50.7727 41.2651 174.8106 18 K 4.0139 8.4073 125.7552 59.2384 32.5095 178.9666 19 W 4.5251 7.8773 119.9449 59.2159 29.4177 178.2359 20 R 3.9462 8.8582 119.1641 59.3481 29.4655 178.2349 21 L 3.9667 8.3647 120.4863 58.2132 42.1043 178.7243 22 L 3.9478 7.9873 120.0095 58.0127 42.0026 178.8268 23 A 4.0447 8.1482 120.8103 55.3841 18.3281 179.5081 24 M 4.0262 8.1604 117.1596 58.9816 32.0948 179.0082 25 M 4.2131 8.2806 118.8777 58.6686 31.9976 179.0707 26 T 4.0663 8.0623 116.0416 66.6184 68.6356 176.9176 27 L 4.0446 8.1225 121.0394 58.3134 41.5034 178.4565 28 F 4.1558 8.8795 121.4302 61.0003 39.0147 176.8999 29 F 4.2544 8.8911 116.8940 60.7067 39.0797 178.1944 30 G 3.7435 8.6951 105.8291 47.7088 0.0000 175.9522 31 S 4.2604 8.2641 116.8477 61.2334 62.7770 176.9595 32 G 3.5115 7.5941 108.6674 47.4572 0.0000 175.1756 33 F 4.3562 8.4904 122.2276 60.9510 39.7061 176.6262 34 A 4.4943 8.6120 120.0079 54.1487 18.4835 179.0095 35 A 4.0043 7.9223 119.5860 55.4794 18.3023 178.1175 36 P 4.1735 0.0000 0.0000 65.5811 31.3364 178.9473 37 F 3.9158 7.9112 116.1567 60.5977 38.8517 177.6136 38 F 4.0853 8.5567 117.3702 60.2199 38.6123 178.0099 39 I 3.7564 8.3783 120.2662 64.3421 36.9106 178.4013 40 V 3.5299 7.9834 119.4089 66.0866 31.1775 178.0595 41 R 3.8415 8.1241 118.3667 59.5169 29.9306 177.7886 42 H 4.1382 8.5020 118.2585 59.5709 29.6121 177.2543 43 Q 3.9253 8.0303 118.4545 58.9565 27.5181 178.3982 44 L 4.1138 8.0538 120.0506 57.7910 41.4206 179.5367 45 L 4.2991 8.0570 118.1577 57.2770 41.6690 179.2702 46 K 4.0369 7.9652 117.8463 57.3852 31.9495 176.8460 47 K 3.9653 6.9155 124.4492 56.2052 34.3583 174.0140 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 2 H 8.44 4.45 0.00 2.97 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.38 4.75 0.00 3.01 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 4 E 9.30 4.23 0.00 1.94 1.85 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 2.32 2.26 0.00 5 E 8.50 4.62 0.00 1.88 1.78 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 2.24 2.22 0.00 6 G 8.74 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 0.00 0.00 0.00 7 P 0.00 4.25 0.00 2.02 2.00 0.00 3.71 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 2.01 2.08 0.00 8 G 8.84 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 9 K 8.07 4.37 0.00 1.77 1.78 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.53 7.81 10 N 7.76 4.94 0.00 2.75 2.83 0.00 0.00 5.83 7.81 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 11 I 6.98 4.45 0.67 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.66 0.00 0.00 12 P 0.00 4.82 0.00 2.20 2.13 0.00 3.66 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 2.11 1.96 0.00 13 F 6.45 4.97 0.00 2.91 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 14 S 8.52 4.54 0.00 3.84 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 15 V 7.98 4.47 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 0.88 0.00 0.00 0.86 0.00 0.00 16 E 8.23 3.98 0.00 1.91 1.99 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 2.33 2.30 0.00 17 N 7.87 4.94 0.00 2.74 2.65 0.00 0.00 6.94 6.75 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 18 K 8.41 4.01 0.00 1.51 1.71 0.00 0.81 0.00 0.00 1.13 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.57 0.21 7.81 19 W 7.88 4.53 0.00 3.59 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 20 R 8.86 3.95 0.00 1.91 2.07 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.36 3.97 0.00 1.81 1.68 1.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.99 3.95 0.00 1.98 2.00 0.97 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.15 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 4.03 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 25 M 8.28 4.21 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 26 T 8.06 4.07 4.62 0.00 0.00 0.00 0.00 0.00 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 27 L 8.12 4.04 0.00 1.94 1.76 0.95 0.88 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 28 F 8.88 4.16 0.00 2.93 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 29 F 8.89 4.25 0.00 3.32 3.08 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 30 G 8.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 4.26 0.00 4.03 4.18 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 32 G 7.59 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.36 0.00 3.21 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 34 A 8.61 4.49 1.59 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 0.00 0.00 0.00 35 A 7.92 4.00 1.40 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 0.00 0.00 36 P 0.00 4.17 0.00 1.58 1.81 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 37 F 7.91 3.92 0.00 3.19 2.89 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 38 F 8.56 4.09 0.00 3.23 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 39 I 8.38 3.76 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.91 0.00 0.00 40 V 7.98 3.53 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 0.94 0.00 0.00 0.81 0.00 0.00 41 R 8.12 3.84 0.00 1.81 2.00 0.00 3.04 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.50 4.14 0.00 3.33 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.03 3.93 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 44 L 8.05 4.11 0.00 1.81 1.70 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.06 4.30 0.00 1.79 1.72 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.97 4.04 0.00 1.83 1.82 0.00 1.50 0.00 0.00 1.40 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.31 7.81 47 K 6.92 3.97 0.00 1.94 1.80 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.10 7.81