NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1290 8.2549 119.6892 55.1893 31.7412 174.6691 2 P 3.8551 0.0000 0.0000 59.8599 32.4178 175.0757 3 D 4.3768 8.8706 122.8149 56.9773 40.0638 178.9763 4 F 4.3051 7.9620 115.0966 59.3079 37.6976 177.6208 5 C 4.5577 7.2624 116.1370 58.8973 40.0137 174.7287 6 L 4.2525 7.7812 119.4851 54.2524 42.0967 176.6992 7 E 4.2902 7.3421 117.3058 54.7455 30.4848 175.0978 8 P 4.4016 0.0000 0.0000 61.8288 32.0575 174.4179 9 P 3.8273 0.0000 0.0000 62.5989 31.5967 175.3003 10 Y 4.6360 7.8670 121.2827 56.0806 40.1047 175.4212 11 T 4.1343 8.3654 125.4591 65.2025 68.8572 176.1149 12 G 3.5425 6.7864 107.5799 44.0519 0.0000 170.8125 13 P 4.4899 0.0000 0.0000 63.0160 32.0176 176.6403 14 C 4.5976 7.6426 117.1990 56.5870 41.3041 173.6534 15 K 4.4719 8.1419 118.4133 56.0941 32.5869 176.4864 16 A 4.0999 7.7945 121.8171 52.3267 19.7608 177.8115 17 R 4.3564 8.3840 118.2473 54.2659 31.3529 173.9963 18 I 4.3343 8.5236 124.3554 59.2193 39.3716 174.8771 19 I 4.3101 8.2995 128.9110 61.1659 37.6545 175.6252 20 R 4.7835 8.5007 125.1711 54.5606 34.7640 173.9314 21 Y 5.4357 9.3682 118.3611 57.1014 40.1966 175.1040 22 F 5.7791 9.6989 116.8319 55.3437 41.8239 173.0313 23 Y 4.3956 9.8425 122.4908 57.0284 39.9621 174.1996 24 N 4.5663 8.1428 126.6865 51.9176 38.1036 175.1732 25 A 3.7096 8.2002 129.4616 54.4288 19.0273 178.6938 26 K 4.0104 8.1640 116.3049 59.3203 32.4224 177.7254 27 A 4.0662 7.9707 120.3003 52.5463 18.8494 178.0559 28 G 3.8975 8.1533 103.1606 45.5851 0.0000 173.1676 29 L 4.7956 6.8103 117.4437 52.6255 46.3088 176.2887 30 C 4.9083 8.7637 120.0598 57.1221 39.2024 172.9172 31 Q 4.9428 8.9348 121.7862 54.1822 33.3486 174.4738 32 T 4.8487 8.4711 110.8166 61.7880 70.2165 173.5265 33 F 5.0654 9.3260 117.6966 55.7939 42.3230 172.9951 34 V 4.3540 8.3658 119.1241 61.5425 32.4579 173.9913 35 Y 4.7341 8.5999 130.4990 56.3135 40.3195 176.1627 36 G 3.8821 8.1613 112.9461 45.9380 0.0000 175.0891 37 G 3.7289 6.5806 108.3247 44.8606 0.0000 172.2187 38 C 4.9894 6.7460 112.1073 54.5354 44.8789 173.2512 39 R 3.7965 8.8540 116.2924 56.7559 27.1290 176.8203 40 A 4.1556 8.3300 118.7122 52.8073 18.9923 178.1308 41 K 4.4254 8.2385 120.1517 54.7300 34.3851 177.0158 42 R 3.7368 8.2663 117.9688 59.1934 30.4417 177.6793 43 N 4.7413 8.0860 117.4308 51.2953 37.3773 173.8840 44 N 5.0251 6.4481 116.1853 52.8032 41.7332 173.2260 45 F 5.0682 9.3407 124.7242 55.7421 42.5014 176.3658 46 K 4.5286 8.9319 122.7435 57.9810 32.7622 177.6590 47 S 4.8474 7.8728 112.8640 55.5134 67.3318 174.5164 48 A 3.1418 7.9655 124.6835 55.0777 18.0291 180.1285 49 E 3.7781 7.8535 116.6119 59.4452 29.7401 178.8945 50 D 4.3136 8.1214 119.0167 57.6072 40.9080 178.1378 51 C 2.4500 7.6434 118.6270 59.3069 43.6423 175.3081 52 M 3.7557 8.0078 120.1036 58.5410 31.5677 178.2037 53 R 3.7770 7.7182 118.0318 59.4210 30.2832 178.2165 54 T 4.1731 7.3802 114.3905 65.6286 68.8823 175.4683 55 C 4.5930 7.8872 114.9555 56.2996 42.0170 174.9362 56 G 3.3009 7.7610 108.6411 45.5434 0.0000 174.3056 57 G 3.6582 7.7007 106.1516 44.0153 0.0000 173.5309 58 A 4.1006 8.1485 120.3870 52.4278 18.4048 177.5838 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 4.13 0.00 1.72 1.69 0.00 3.22 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 2 P 0.00 3.86 0.00 1.08 1.71 0.00 3.38 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 3 D 8.87 4.38 0.00 2.89 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 4 F 7.96 4.31 0.00 3.48 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 4.56 0.00 2.90 3.06 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 6 L 7.78 4.25 0.00 1.72 1.75 0.93 1.07 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 7 E 7.34 4.29 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.29 0.00 8 P 0.00 4.40 0.00 2.14 2.07 0.00 3.78 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 1.99 1.96 0.00 9 P 0.00 3.83 0.00 0.49 0.49 0.00 3.39 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 10 Y 7.87 4.64 0.00 2.79 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 11 T 8.37 4.13 4.12 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 0.00 0.00 0.00 1.16 0.00 0.00 12 G 6.79 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.18 2.17 0.00 3.77 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 1.95 2.03 0.00 14 C 7.64 4.60 0.00 2.84 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 15 K 8.14 4.47 0.00 1.65 1.72 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.29 7.81 16 A 7.79 4.10 1.11 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 17 R 8.38 4.36 0.00 1.61 1.80 0.00 3.14 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 18 I 8.52 4.33 2.01 0.00 0.00 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 1.20 0.60 0.97 0.00 0.00 19 I 8.30 4.31 1.80 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 1.29 0.68 0.77 0.00 0.00 20 R 8.50 4.78 0.00 1.04 1.93 0.00 3.48 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 21 Y 9.37 5.44 0.00 3.24 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 9.70 5.78 0.00 3.20 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 23 Y 9.84 4.40 0.00 3.10 2.99 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 24 N 8.14 4.57 0.00 2.22 2.46 0.00 0.00 6.65 8.40 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 25 A 8.20 3.71 1.41 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 26 K 8.16 4.01 0.00 1.72 1.97 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 7.97 4.07 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 8.15 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 29 L 6.81 4.80 0.00 1.39 1.41 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.76 4.91 0.00 2.78 3.06 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 31 Q 8.93 4.94 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 32 T 8.47 4.85 4.10 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 0.00 0.00 0.00 0.78 0.00 0.00 33 F 9.33 5.07 0.00 2.91 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 34 V 8.37 4.35 2.06 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.60 4.73 0.00 2.59 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 36 G 8.16 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.58 3.73 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 0.00 0.00 0.00 38 C 6.75 4.99 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 8.85 3.80 0.00 2.19 2.21 0.00 3.31 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.33 4.16 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 41 K 8.24 4.43 0.00 1.74 1.82 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.14 1.19 7.81 42 R 8.27 3.74 0.00 1.46 0.97 0.00 2.86 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 43 N 8.09 4.74 0.00 3.19 2.86 0.00 0.00 6.69 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 6.45 5.03 0.00 2.67 2.57 0.00 0.00 7.08 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 9.34 5.07 0.00 3.24 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.53 0.00 1.85 1.95 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.87 4.85 0.00 4.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.14 0.74 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 49 E 7.85 3.78 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 D 8.12 4.31 0.00 2.94 2.92 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 51 C 7.64 2.45 0.00 2.67 2.92 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 52 M 8.01 3.76 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 53 R 7.72 3.78 0.00 1.84 2.09 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.38 4.17 4.19 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 1.61 0.00 0.00 55 C 7.89 4.59 0.00 2.63 2.02 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 56 G 7.76 3.30 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 0.00 57 G 7.70 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.10 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