NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2647 8.2493 123.5819 51.6354 20.1729 176.5157 2 V 3.5677 7.6418 118.6531 61.7737 31.5037 174.4724 3 Q 4.3417 8.8028 119.3355 55.3687 30.1476 176.6789 4 Q 4.3453 8.4951 128.0419 56.0338 29.3017 175.4027 5 N 3.9903 8.2032 117.7337 53.7050 39.3816 174.2890 6 K 4.4748 8.3358 120.9152 54.2492 34.1294 175.3413 7 P 4.5488 0.0000 0.0000 63.3441 30.3527 178.2168 8 T 3.4768 7.1669 111.0335 65.4635 68.4611 172.9486 9 R 3.8000 7.4862 122.0974 57.9603 30.8300 174.6881 10 S 3.9427 8.3870 117.0814 58.8169 62.0625 171.2160 11 K 4.1608 7.3898 121.9711 57.5595 32.9332 176.8081 12 R 4.3611 8.8803 124.9862 57.5160 29.8561 178.3975 13 G 3.7177 7.6987 102.4755 47.4177 0.0000 175.0503 14 M 4.2692 7.8898 120.5711 58.0007 32.0096 178.3864 15 R 3.9456 7.8084 118.3609 59.1993 30.2886 178.2451 16 R 4.8040 8.3780 120.1108 58.3430 29.4269 178.4593 17 S 4.0887 7.9764 115.4209 62.3450 62.8870 175.8265 18 H 4.5991 7.9341 112.5563 56.5912 28.2907 175.6678 19 D 4.7315 8.3396 119.8895 53.9390 41.8060 176.5644 20 A 4.2977 7.3599 121.3722 52.1758 18.8261 177.2649 21 L 4.5065 8.1159 120.6803 53.8690 43.3104 176.0780 22 T 4.6307 8.0150 108.3295 59.9146 71.5263 173.2745 23 A 4.5429 8.2563 125.0862 51.0860 20.6896 177.7143 24 V 4.1000 7.7190 113.5353 61.3865 33.6984 176.2354 25 T 4.1364 7.6446 104.6062 61.9383 68.6776 171.8064 26 S 4.6294 8.2254 121.2395 56.6534 66.0101 172.9989 27 L 4.5110 8.1747 123.1238 53.8070 43.1752 176.2786 28 S 4.6288 8.4234 111.7590 57.5858 64.6265 175.3559 29 V 3.4830 7.7597 117.6869 60.6145 30.1353 170.7241 30 D 4.2995 7.9225 118.5287 56.1481 39.1421 177.8068 31 K 3.7734 8.1082 121.3242 59.2541 32.6510 177.4329 32 T 4.1405 7.4712 118.0792 63.5696 68.5779 175.1579 33 S 4.5776 8.3954 126.0111 58.3350 62.8440 174.4840 34 G 3.9921 7.1840 115.0306 46.2656 0.0000 176.8001 35 E 4.0117 8.0172 117.7924 55.4374 28.9853 180.0987 36 K 4.6192 9.6755 121.5100 56.0443 33.4437 175.2260 37 H 3.8160 7.5780 114.2852 57.4692 27.9619 177.0490 38 L 4.5586 8.4816 132.3979 55.1847 43.3174 175.4399 39 R 3.6813 8.1542 125.5330 57.2939 30.7503 175.9458 40 H 4.5204 8.0364 114.7523 55.5761 29.2181 173.9372 41 H 4.3678 5.2900 124.6133 55.3885 34.4989 172.7082 42 I 4.6660 5.7436 116.6453 61.3568 40.3134 173.4742 43 T 4.1376 7.9204 117.8657 62.9726 69.0270 176.2495 44 A 3.9440 7.6726 123.0318 55.0572 18.2458 177.6804 45 D 4.8140 8.4148 112.2527 53.0381 42.2817 175.4113 46 G 4.2478 7.7001 108.5404 45.2562 0.0000 172.1789 47 Y 4.7205 7.5226 117.1041 56.8958 41.0999 174.7280 48 Y 3.7901 8.2673 121.0366 58.2204 39.9195 175.1534 49 R 4.6508 7.9969 119.6772 56.8567 35.3577 174.3931 50 G 3.6965 7.9714 109.4670 44.2982 0.0000 174.3492 51 R 4.0059 8.6247 125.0310 56.8360 29.3458 175.8556 52 K 4.6752 8.1723 121.0845 56.0099 37.3329 176.8031 53 V 3.0837 8.1921 122.5981 64.1657 31.4020 175.9505 54 I 4.4379 8.2399 110.0020 58.4570 37.8443 174.8875 55 A 4.9403 7.9445 135.0000 52.0461 20.0998 176.6697 56 K 4.1029 8.3904 114.4254 57.5432 32.2043 176.8589 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 A 8.25 4.26 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 2 V 7.64 3.57 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 0.74 0.00 0.00 0.93 0.00 0.00 3 Q 8.80 4.34 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 4 Q 8.50 4.35 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 5 N 8.20 3.99 0.00 2.71 2.76 0.00 0.00 6.53 7.61 0.00 0.00 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 K 8.34 4.47 0.00 1.69 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.35 7.81 7 P 0.00 4.55 0.00 2.18 2.03 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 8 T 7.17 3.48 4.24 0.00 0.00 0.00 0.00 0.00 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 9 R 7.49 3.80 0.00 1.95 1.88 0.00 3.48 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 10 S 8.39 3.94 0.00 4.03 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 11 K 7.39 4.16 0.00 1.73 1.95 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 R 8.88 4.36 0.00 2.03 2.03 0.00 3.40 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 13 G 7.70 3.72 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 0.00 0.00 0.00 14 M 7.89 4.27 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 15 R 7.81 3.95 0.00 1.87 2.01 0.00 3.17 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 16 R 8.38 4.80 0.00 1.95 2.12 0.00 3.38 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 17 S 7.98 4.09 0.00 4.06 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 18 H 7.93 4.60 0.00 3.11 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.34 4.73 0.00 2.83 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 20 A 7.36 4.30 1.30 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 0.00 0.00 0.00 21 L 8.12 4.51 0.00 1.64 1.63 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.01 4.63 4.24 0.00 0.00 0.00 0.00 0.00 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 23 A 8.26 4.54 1.25 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 0.00 0.00 24 V 7.72 4.10 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 0.76 0.00 0.00 0.92 0.00 0.00 25 T 7.64 4.14 4.24 0.00 0.00 0.00 0.00 0.00 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 26 S 8.23 4.63 0.00 3.79 3.82 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 27 L 8.17 4.51 0.00 1.65 1.61 0.92 0.80 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 28 S 8.42 4.63 0.00 4.11 4.02 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 0.00 0.00 0.00 0.00 29 V 7.76 3.48 1.84 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 0.34 0.00 0.00 0.66 0.00 0.00 30 D 7.92 4.30 0.00 2.75 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 31 K 8.11 3.77 0.00 1.77 2.02 0.00 1.64 0.00 0.00 1.98 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.57 7.81 32 T 7.47 4.14 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 1.28 0.00 0.00 33 S 8.40 4.58 0.00 3.85 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 34 G 7.18 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.02 4.01 0.00 2.04 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 2.65 2.43 0.00 36 K 9.68 4.62 0.00 2.17 2.10 0.00 2.01 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 37 H 7.58 3.82 0.00 3.34 2.56 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.48 4.56 0.00 1.69 1.51 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.15 3.68 0.00 1.91 1.91 0.00 3.29 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 40 H 8.04 4.52 0.00 3.13 3.23 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 5.29 4.37 0.00 3.40 3.05 0.00 5.90 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 5.74 4.67 1.67 0.00 0.00 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 1.35 2.25 0.35 0.00 0.00 43 T 7.92 4.14 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 1.33 0.00 0.00 44 A 7.67 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.81 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 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 0.00 0.00 0.00 0.00 47 Y 7.52 4.72 0.00 3.28 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 48 Y 8.27 3.79 0.00 2.83 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 49 R 8.00 4.65 0.00 1.65 1.93 0.00 3.32 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 50 G 7.97 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.01 0.00 1.80 1.96 0.00 3.15 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 52 K 8.17 4.68 0.00 1.95 1.95 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.55 7.81 53 V 8.19 3.08 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.03 0.00 0.00 54 I 8.24 4.44 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.92 0.00 0.00 55 A 7.94 4.94 0.99 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 0.00 0.00 0.00 0.00 0.00 56 K 8.39 4.10 0.00 1.64 1.66 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.29 7.81