NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6153 8.3649 120.5302 53.9549 42.3239 174.5250 2 R 4.1187 8.1605 118.9906 53.7928 30.8113 174.1984 3 C 4.3477 8.7846 115.2521 56.3630 43.3281 173.3526 4 R 4.4720 8.0363 120.7427 54.3121 30.2922 173.9027 5 Y 4.2142 8.8166 123.1648 59.1340 38.5195 176.1822 6 T 4.6635 8.8627 120.6856 61.6830 72.5164 173.7936 7 L 4.9725 8.3901 122.9230 53.9314 42.5384 176.6763 8 C 5.1768 9.1257 120.9654 55.2914 44.8162 172.5478 9 C 5.2759 9.0970 117.8568 55.7350 36.3023 174.1262 10 D 4.2310 8.8842 120.0221 54.6090 41.4816 177.4312 11 G 4.8087 9.8206 106.2441 45.6265 0.0000 174.0009 12 A 4.6104 6.9533 120.9744 48.8532 19.7043 175.0569 13 L 4.4577 7.0112 129.8383 53.1297 44.5320 173.6084 14 K 4.3304 8.0581 118.6434 55.4017 35.3301 174.0856 15 A 4.3051 8.8532 127.9420 53.2122 18.8597 176.7907 16 V 4.4737 8.7393 121.1474 60.8385 35.6570 173.4901 17 S 5.2963 8.6922 115.7881 57.4321 64.1476 173.9415 18 A 4.6922 9.4073 125.6653 50.3486 22.7184 174.4929 19 C 4.3552 8.4573 120.3745 54.7133 37.1648 172.1928 20 L 4.7110 7.7307 125.0756 52.9251 45.8706 174.5936 21 H 4.9630 8.1762 120.0551 54.2056 30.8400 175.9863 22 E 3.9556 8.7645 119.8425 59.4712 29.5343 177.5383 23 S 4.4493 8.0138 111.8858 58.8339 63.1292 173.1350 24 E 4.7305 7.9129 121.3273 54.1000 32.1424 174.5051 25 S 4.8168 8.2709 117.3476 56.7899 66.2184 171.1694 26 C 4.7096 8.0546 113.8492 53.7738 41.1563 174.0025 27 L 4.1094 8.1913 121.7670 55.1510 40.9299 175.6081 28 V 4.1037 8.0773 125.3367 61.9429 32.5476 174.1628 29 P 4.7251 0.0000 0.0000 62.6299 33.4872 175.0754 30 G 2.4750 8.2220 104.8285 44.5998 0.0000 171.9907 31 D 5.3620 8.3380 123.1299 52.8694 42.8078 176.0348 32 C 5.2306 9.5651 123.1047 56.4665 43.1984 172.2966 33 C 5.2489 9.5819 122.2081 55.7464 43.3748 172.9374 34 R 4.0998 9.0749 124.3379 55.3664 30.4981 174.0196 35 G 4.1316 9.2064 113.3004 45.3486 0.0000 171.6000 36 K 4.6467 7.8873 115.9892 55.2115 34.9182 176.3309 37 S 4.6254 8.4339 116.0144 56.7020 65.4564 173.4058 38 R 5.0208 8.5030 122.0965 55.1916 31.2704 175.5476 39 L 4.7569 8.8699 121.8150 54.0467 46.2639 174.5331 40 T 5.0145 8.5178 121.1747 61.9735 70.9378 173.1487 41 L 4.8589 8.8873 125.3205 53.6194 47.2949 174.3014 42 C 5.3458 8.5793 117.0281 55.9502 36.1393 174.3792 43 S 4.2401 8.7684 118.3346 57.7364 67.2043 174.3533 44 Y 5.0495 7.9561 122.4771 57.1166 40.2993 174.4339 45 G 4.4228 9.0916 108.5131 44.1418 0.0000 172.7286 46 E 3.9128 8.7247 123.0147 55.8805 29.4942 177.7174 47 G 4.7661 8.2426 122.4460 44.8287 0.0000 172.2427 48 G 3.9410 6.9333 117.4539 45.0412 0.0000 173.7697 49 N 5.0075 7.8245 118.1863 50.5500 40.3331 173.8506 50 G 4.3441 7.6455 106.8158 44.6660 0.0000 169.4755 51 F 5.3208 8.8601 123.4126 56.7052 41.3544 174.1409 52 Q 4.7022 7.2112 124.0571 54.5720 32.5044 173.1768 53 C 4.9984 8.0455 116.8598 53.9950 41.8813 172.5415 54 P 4.5612 0.0000 0.0000 62.1224 31.9647 175.7743 55 T 4.1405 8.2153 116.1149 65.1899 68.5264 175.1918 56 G 3.8820 9.2667 114.8096 45.0176 0.0000 171.7657 57 Y 4.7250 7.5847 115.9931 56.3170 41.5783 173.8162 58 R 4.7389 8.8883 119.3981 55.5256 34.4127 173.0145 59 Q 4.7118 8.6002 118.7756 55.1865 29.8735 177.1876 60 C 4.5693 8.8193 120.3028 57.2691 40.9710 173.6029 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 D 8.36 4.62 0.00 2.68 2.72 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 2 R 8.16 4.12 0.00 1.92 1.90 0.00 3.31 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 3 C 8.78 4.35 0.00 2.83 3.11 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 4 R 8.04 4.47 0.00 1.78 1.90 0.00 3.31 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 5 Y 8.82 4.21 0.00 2.85 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 6 T 8.86 4.66 4.23 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 1.21 0.00 0.00 7 L 8.39 4.97 0.00 1.52 1.63 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 C 9.13 5.18 0.00 2.82 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 9 C 9.10 5.28 0.00 3.08 3.10 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 0.00 10 D 8.88 4.23 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 11 G 9.82 4.81 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 12 A 6.95 4.61 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 13 L 7.01 4.46 0.00 1.82 1.49 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.06 4.33 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.17 1.28 7.81 15 A 8.85 4.31 1.26 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 16 V 8.74 4.47 2.24 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 0.72 0.00 0.00 0.95 0.00 0.00 17 S 8.69 5.30 0.00 3.91 3.96 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 18 A 9.41 4.69 1.15 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 0.00 0.00 19 C 8.46 4.36 0.00 2.19 2.72 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 20 L 7.73 4.71 0.00 1.74 1.35 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.18 4.96 0.00 3.11 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.76 3.96 0.00 1.91 1.98 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 2.29 2.39 0.00 23 S 8.01 4.45 0.00 3.90 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 24 E 7.91 4.73 0.00 1.90 1.83 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 2.18 2.18 0.00 25 S 8.27 4.82 0.00 3.94 3.78 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 0.00 0.00 0.00 26 C 8.05 4.71 0.00 3.03 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 27 L 8.19 4.11 0.00 1.66 1.83 1.10 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.08 4.10 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 0.74 0.00 0.00 0.98 0.00 0.00 29 P 0.00 4.73 0.00 2.04 2.09 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 30 G 8.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.34 5.36 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.57 5.23 0.00 2.75 3.14 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 0.00 33 C 9.58 5.25 0.00 2.90 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 34 R 9.07 4.10 0.00 1.53 1.75 0.00 2.44 0.00 0.00 2.75 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 0.00 35 G 9.21 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 0.00 0.00 0.00 0.00 36 K 7.89 4.65 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 37 S 8.43 4.63 0.00 3.98 3.78 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 0.00 0.00 0.00 38 R 8.50 5.02 0.00 1.82 1.95 0.00 3.07 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 39 L 8.87 4.76 0.00 1.84 1.47 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.52 5.01 4.23 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 1.24 0.00 0.00 41 L 8.89 4.86 0.00 1.58 1.51 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.58 5.35 0.00 2.88 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 43 S 8.77 4.24 0.00 3.29 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 44 Y 7.96 5.05 0.00 2.82 2.74 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 45 G 9.09 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.91 0.00 2.09 2.04 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 2.29 2.30 0.00 47 G 8.24 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.93 3.94 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 0.00 0.00 0.00 49 N 7.82 5.01 0.00 2.65 2.68 0.00 0.00 6.58 7.63 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 50 G 7.65 4.34 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 0.00 51 F 8.86 5.32 0.00 3.11 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 52 Q 7.21 4.70 0.00 1.90 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 53 C 8.05 5.00 0.00 3.17 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 54 P 0.00 4.56 0.00 2.27 2.11 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 55 T 8.22 4.14 4.28 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 1.23 0.00 0.00 56 G 9.27 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 57 Y 7.58 4.73 0.00 3.13 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 58 R 8.89 4.74 0.00 1.89 1.85 0.00 3.12 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 59 Q 8.60 4.71 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 60 C 8.82 4.57 0.00 3.04 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