NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4040 8.3349 116.7990 58.4147 64.1878 172.6451 2 R 4.0925 7.6612 119.5263 56.0985 31.6129 176.6839 3 C 4.0264 9.6819 115.3159 57.3296 38.3637 173.5932 4 Q 4.1960 7.6672 118.5550 55.8538 29.2067 175.7134 5 G 3.8282 8.4112 105.7419 44.0995 0.0000 172.8182 6 K 3.8249 8.2459 119.6985 56.5473 32.4983 176.7984 7 S 4.6330 8.0466 117.2932 57.6190 64.4058 173.1408 8 S 5.0687 6.8516 113.9379 57.0778 65.8782 173.4011 9 W 4.9073 9.1980 124.1060 54.5151 28.8390 174.8173 10 P 4.3967 0.0000 0.0000 65.6883 31.4588 179.0647 11 Q 4.2794 8.0595 115.8325 57.3488 29.0590 176.4846 12 L 4.3438 8.1851 117.9678 55.4260 42.1789 177.3586 13 V 4.0675 7.1610 112.2063 62.7650 31.8412 176.6969 14 G 3.9912 9.1153 113.0716 45.5529 0.0000 174.0296 15 S 4.5058 7.8489 116.2036 57.6790 64.0113 173.7236 16 T 4.5828 8.1521 112.2848 61.4074 70.6455 175.7343 17 G 3.5754 8.8883 109.8069 48.0018 0.0000 176.0526 18 A 3.9291 7.9352 122.3404 54.8061 18.5167 179.3609 19 A 3.8852 7.9567 118.5787 55.1988 18.4580 179.4894 20 A 3.8381 8.1022 119.3243 55.1039 18.4533 179.5224 21 K 3.5776 8.2192 118.2531 59.7815 32.1920 178.7918 22 A 3.9192 7.8173 120.6211 54.9433 18.1716 179.7950 23 V 3.4895 7.7784 116.7399 66.1399 31.5778 178.2516 24 I 2.8136 7.6166 119.8026 64.3347 36.6362 178.3973 25 E 3.9279 7.8542 117.4697 58.8778 29.2837 179.3911 26 R 4.1060 7.6884 117.9070 59.2936 30.3064 178.4666 27 E 4.5126 8.4595 117.5311 57.5008 30.0153 176.2065 28 N 4.9329 8.5870 118.0704 50.8326 39.8627 172.6634 29 P 4.6351 0.0000 0.0000 64.3740 31.3381 177.1936 30 R 4.5107 8.6045 118.6779 56.1554 30.1449 175.7079 31 V 4.7088 7.4983 110.2277 59.4942 35.8053 174.8535 32 R 4.6967 8.7027 122.5510 54.5082 32.6265 174.3603 33 A 4.9252 9.1239 129.0860 50.9022 20.3335 176.8188 34 V 4.1736 8.3845 121.9807 59.7341 33.7605 174.9522 35 I 4.4031 8.1850 127.1247 60.6897 37.9382 175.4434 36 I 4.4789 8.3936 126.8267 58.7703 41.7275 174.0453 37 K 4.6131 8.7013 130.5212 55.9598 33.4206 176.2012 38 V 3.9284 8.7322 127.4717 65.1487 31.7131 176.3910 39 G 3.9771 8.9777 115.0614 45.4018 0.0000 173.7609 40 S 4.4415 8.2328 113.1101 57.8511 63.8406 174.5922 41 G 4.2286 10.0703 108.6182 46.4317 0.0000 172.5254 42 A 4.5872 8.1315 121.9432 50.6872 21.9133 176.4343 43 T 3.9910 8.4630 110.4512 62.2579 69.3631 174.7480 44 K 4.4477 8.4773 124.9275 56.7213 32.1808 175.0085 45 D 5.0871 7.7864 118.0322 51.3563 42.4342 174.6581 46 F 4.8573 8.6072 120.0389 56.4609 41.9987 174.2887 47 R 4.4604 7.2346 125.4228 54.5805 33.4675 176.7548 48 C 4.3518 8.7385 119.6378 58.6216 41.7680 173.8958 49 D 4.8939 7.8107 117.6130 51.9871 39.7564 175.1445 50 R 4.8896 7.4337 119.8591 54.6676 33.3392 174.5059 51 V 4.6685 8.4137 125.0611 60.9595 34.2137 174.6109 52 R 4.1219 8.5992 127.8186 56.0178 30.9427 176.7367 53 V 4.1417 8.5295 124.6527 60.8869 33.1936 173.8877 54 W 5.0536 8.5871 128.3992 56.1110 30.4359 176.0679 55 V 5.1657 8.9145 117.9536 59.4417 35.5519 175.8941 56 T 4.4424 8.7768 114.0887 60.8021 69.7008 175.2600 57 E 3.9586 8.6633 118.6537 58.8110 29.4909 177.7589 58 R 4.2712 7.9010 116.9179 55.8719 30.5510 176.9210 59 G 3.8910 8.5119 107.2351 45.7286 0.0000 172.9501 60 I 4.5893 7.4192 120.1484 59.2427 38.6038 175.4813 61 V 4.0883 8.9392 125.4123 63.2025 31.6427 176.0305 62 A 4.7948 9.0769 128.6013 51.7997 20.0459 175.6548 63 R 4.7207 7.6888 113.7638 53.4239 34.2603 172.9457 64 P 4.5368 0.0000 0.0000 62.1989 31.9320 174.4032 65 P 4.7223 0.0000 0.0000 62.8934 32.3485 175.5970 66 T 5.4204 8.4790 112.8914 59.8673 72.0588 173.6194 67 I 4.0266 8.9582 124.9214 60.5577 37.9047 176.6015 68 G 3.2429 8.2561 114.6308 46.1723 0.0000 172.0603 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 S 8.33 4.40 0.00 3.89 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 2 R 7.66 4.09 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 3 C 9.68 4.03 0.00 3.24 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 4.20 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 5 G 8.41 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 6 K 8.25 3.82 0.00 1.55 1.56 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.85 7.81 7 S 8.05 4.63 0.00 4.01 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 0.00 8 S 6.85 5.07 0.00 3.78 3.62 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 0.00 9 W 9.20 4.91 0.00 3.42 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 10 P 0.00 4.40 0.00 2.24 2.34 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 11 Q 8.06 4.28 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 12 L 8.19 4.34 0.00 1.92 1.73 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.16 4.07 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 0.73 0.00 0.00 0.99 0.00 0.00 14 G 9.12 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 15 S 7.85 4.51 0.00 4.06 3.80 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 0.00 0.00 0.00 0.00 16 T 8.15 4.58 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 17 G 8.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.93 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 19 A 7.96 3.89 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 20 A 8.10 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.58 0.00 1.70 1.91 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.47 7.81 22 A 7.82 3.92 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 23 V 7.78 3.49 2.13 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 1.23 0.00 0.00 0.97 0.00 0.00 24 I 7.62 2.81 1.51 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.02 0.00 0.00 25 E 7.85 3.93 0.00 1.94 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 2.42 2.29 0.00 26 R 7.69 4.11 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 27 E 8.46 4.51 0.00 2.45 2.27 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 2.47 2.64 0.00 28 N 8.59 4.93 0.00 3.02 2.97 0.00 0.00 6.92 7.85 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 29 P 0.00 4.64 0.00 2.23 2.17 0.00 3.86 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 2.01 2.01 0.00 30 R 8.60 4.51 0.00 2.09 1.98 0.00 3.08 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 31 V 7.50 4.71 2.05 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 0.77 0.00 0.00 0.92 0.00 0.00 32 R 8.70 4.70 0.00 1.79 1.67 0.00 3.03 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 33 A 9.12 4.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.17 1.94 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 0.71 0.00 0.00 0.77 0.00 0.00 35 I 8.19 4.40 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.85 0.00 0.00 36 I 8.39 4.48 1.43 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.55 -0.33 0.00 0.00 37 K 8.70 4.61 0.00 1.93 1.74 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.58 1.64 7.81 38 V 8.73 3.93 2.15 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 0.75 0.00 0.00 1.07 0.00 0.00 39 G 8.98 3.98 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 0.00 40 S 8.23 4.44 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 41 G 10.07 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 0.00 0.00 0.00 0.00 42 A 8.13 4.59 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 43 T 8.46 3.99 4.27 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 1.23 0.00 0.00 44 K 8.48 4.45 0.00 1.81 1.90 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 D 7.79 5.09 0.00 2.82 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 46 F 8.61 4.86 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.23 4.46 0.00 1.61 1.79 0.00 3.30 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 48 C 8.74 4.35 0.00 2.96 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 49 D 7.81 4.89 0.00 2.81 2.85 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 50 R 7.43 4.89 0.00 1.85 1.74 0.00 2.94 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 51 V 8.41 4.67 1.86 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 0.94 0.00 0.00 0.94 0.00 0.00 52 R 8.60 4.12 0.00 1.64 1.04 0.00 3.29 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 53 V 8.53 4.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.77 0.00 0.00 54 W 8.59 5.05 0.00 3.36 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 55 V 8.91 5.17 2.01 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 0.76 0.00 0.00 1.01 0.00 0.00 56 T 8.78 4.44 4.26 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 1.27 0.00 0.00 57 E 8.66 3.96 0.00 2.11 2.15 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 2.29 2.29 0.00 58 R 7.90 4.27 0.00 1.87 2.00 0.00 3.19 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 59 G 8.51 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 0.00 0.00 0.00 60 I 7.42 4.59 1.89 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 1.31 1.01 1.01 0.00 0.00 61 V 8.94 4.09 2.29 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 1.13 0.00 0.00 0.95 0.00 0.00 62 A 9.08 4.79 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 63 R 7.69 4.72 0.00 1.95 1.85 0.00 3.30 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 64 P 0.00 4.54 0.00 2.17 2.16 0.00 3.83 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 2.06 2.05 0.00 65 P 0.00 4.72 0.00 2.20 2.01 0.00 3.97 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 66 T 8.48 5.42 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 I 8.96 4.03 1.98 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 1.33 0.96 0.97 0.00 0.00 68 G 8.26 3.24 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 0.00 0.00 0.00 0.00