NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4802 8.3349 115.3049 58.0262 63.8235 173.2754 8 D 4.7778 8.4165 125.7540 52.5406 42.2274 174.3682 9 F 5.3666 8.7723 115.8242 55.6002 41.9158 173.5367 10 V 4.4727 8.7361 112.8364 59.5823 35.0633 174.8600 11 V 4.9174 8.6832 123.3635 61.2965 34.0720 174.2756 12 I 4.9231 9.2297 129.0273 59.4377 40.1059 174.2640 13 K 4.9915 9.3905 129.0184 54.3388 34.6120 174.9314 14 A 4.5122 9.2248 130.2227 52.1094 19.0955 177.6660 15 L 4.5826 9.0905 122.2853 54.9557 43.0245 175.7565 16 E 4.8073 7.8219 115.2670 54.3779 33.2068 174.6218 17 D 4.4036 8.5967 119.3683 55.0490 41.6010 177.0339 18 G 3.8152 8.3250 108.8115 45.9198 0.0000 173.8115 19 V 3.9202 7.7470 120.0550 62.7003 32.9151 174.4736 20 N 5.2594 9.0257 124.9414 51.4967 41.2024 173.6439 21 V 4.6205 8.6436 124.4156 61.3273 33.7440 174.2195 22 I 4.7382 8.9401 129.6676 59.3909 39.9433 174.8653 23 G 4.2920 8.6523 114.4272 44.8583 0.0000 172.4122 24 L 5.4901 9.0253 125.4443 52.9766 43.9438 176.3058 25 T 4.5505 8.5415 114.1672 62.1107 69.1928 174.0249 26 R 4.4943 7.8838 125.8684 56.3731 31.0150 175.2525 27 G 3.7975 8.9585 110.0698 43.5949 0.0000 172.9237 28 A 4.0811 8.6221 121.8180 54.9261 18.4206 178.0968 29 D 4.7681 7.7564 113.4189 53.6436 42.3375 176.1558 30 T 4.7303 8.2000 117.5482 61.9804 71.6054 173.3219 31 R 4.5651 8.8853 122.2800 53.9180 33.7921 174.4224 32 F 5.2536 8.2471 118.9166 58.2056 38.9460 175.1084 33 H 4.9656 8.7060 118.1019 56.1567 30.4367 174.0655 34 H 4.6412 7.5789 116.1694 55.3317 33.0602 172.1349 35 S 5.0195 8.3850 119.2646 56.3014 65.1778 172.2849 36 E 4.5610 9.0142 128.3275 54.1695 31.6060 174.4727 37 K 4.6457 8.6624 129.0282 55.9965 33.4282 175.5956 38 L 4.9060 9.1309 127.7034 53.1144 44.5209 176.2159 39 D 4.8956 8.8653 123.7836 52.6610 42.9336 175.8647 40 K 3.9118 7.9599 119.6705 58.7252 32.3494 176.4718 41 G 4.0481 9.0852 114.8323 45.2845 0.0000 173.6457 42 E 4.3478 7.8357 118.8114 56.0759 30.9278 176.1168 43 V 4.9493 8.2333 121.2246 61.0526 34.8726 174.2883 44 L 4.8165 9.3175 128.8779 53.2521 45.2133 174.8367 45 I 5.0585 8.4950 126.0599 59.5364 39.4492 174.7294 46 A 4.6998 8.8233 128.6285 50.1122 21.9045 175.3948 47 Q 4.7001 8.6989 121.2574 55.3526 30.0972 175.9846 48 F 4.5633 8.5646 120.7899 57.9324 39.7817 175.0764 49 T 4.7138 9.0118 111.4568 60.2193 71.8087 173.9626 50 E 4.1788 8.8267 120.7910 58.2963 29.8657 176.5448 51 H 4.8074 8.3643 114.0963 56.1559 31.1172 173.3673 52 T 5.4427 7.7895 115.3060 61.8525 71.3216 174.4582 53 S 5.0164 9.1411 119.7583 57.9412 65.0824 173.4551 54 A 5.1142 7.9700 121.6679 51.2174 22.4650 175.2196 55 I 5.0548 8.7101 122.0175 59.2829 40.8173 174.8388 56 K 4.5847 9.3126 127.4209 54.5238 35.1158 174.6098 57 V 4.8320 8.5033 126.9238 61.1834 33.6088 174.5645 58 R 4.5344 8.7943 126.9462 55.2224 32.8083 175.6428 59 G 4.1058 9.0368 109.8225 43.7279 0.0000 173.0028 60 K 4.4455 9.9995 121.6204 56.5347 32.9373 175.6386 61 A 5.2597 9.8323 130.1753 50.3124 23.3583 173.4829 62 Y 4.8809 8.9905 121.1624 55.9267 41.1960 174.6323 63 I 5.1159 8.0936 126.8081 59.6177 41.0190 174.2378 64 Q 5.0482 9.1182 126.2291 54.3639 31.7629 174.9175 65 T 4.9301 8.2583 112.4614 59.4254 72.3901 174.4755 66 R 3.7789 8.5780 120.5939 59.5187 29.8228 176.6649 67 H 4.5344 8.4336 112.9646 55.9491 29.5258 174.6339 68 G 3.9048 7.0424 105.5041 43.2640 0.0000 172.6373 69 V 4.1233 7.7619 119.7643 62.4282 32.8329 176.0670 70 I 4.4010 8.4649 126.3710 59.4955 41.0314 173.1665 71 E 4.9564 8.7146 130.4220 54.8354 32.0796 175.8015 72 S 4.7017 9.2043 122.3814 58.8993 64.2716 171.2812 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 7 S 8.33 4.48 0.00 3.91 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 8 D 8.42 4.78 0.00 2.81 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 9 F 8.77 5.37 0.00 3.03 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 10 V 8.74 4.47 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 0.66 0.00 0.00 0.88 0.00 0.00 11 V 8.68 4.92 2.20 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 1.18 0.00 0.00 1.20 0.00 0.00 12 I 9.23 4.92 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.93 0.00 0.00 13 K 9.39 4.99 0.00 1.80 1.75 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 9.22 4.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 4.58 0.00 1.65 1.74 1.01 0.76 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 16 E 7.82 4.81 0.00 1.90 1.89 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 2.16 2.32 0.00 17 D 8.60 4.40 0.00 2.58 2.63 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 0.00 0.00 0.00 0.00 18 G 8.33 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 0.00 0.00 0.00 19 V 7.75 3.92 2.19 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 0.96 0.00 0.00 1.01 0.00 0.00 20 N 9.03 5.26 0.00 2.61 2.56 0.00 0.00 6.29 7.43 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 21 V 8.64 4.62 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 1.00 0.00 0.00 0.91 0.00 0.00 22 I 8.94 4.74 1.51 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 0.58 0.07 0.15 0.00 0.00 23 G 8.65 4.29 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 0.00 24 L 9.03 5.49 0.00 1.88 1.69 1.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.54 4.55 4.30 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 1.32 0.00 0.00 26 R 7.88 4.49 0.00 1.92 1.89 0.00 3.28 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.96 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 0.00 0.00 0.00 28 A 8.62 4.08 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 29 D 7.76 4.77 0.00 2.68 2.59 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 30 T 8.20 4.73 4.21 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 1.23 0.00 0.00 31 R 8.89 4.57 0.00 1.74 1.90 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 32 F 8.25 5.25 0.00 2.98 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 33 H 8.71 4.97 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.58 4.64 0.00 3.34 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 5.02 0.00 3.69 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 36 E 9.01 4.56 0.00 2.12 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 37 K 8.66 4.65 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.44 7.81 38 L 9.13 4.91 0.00 1.56 1.53 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.87 4.90 0.00 2.63 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 40 K 7.96 3.91 0.00 1.74 1.75 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 9.09 4.05 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 0.00 0.00 0.00 42 E 7.84 4.35 0.00 2.10 1.87 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 2.32 2.25 0.00 43 V 8.23 4.95 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 0.84 0.00 0.00 0.98 0.00 0.00 44 L 9.32 4.82 0.00 1.72 1.45 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.06 1.78 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 1.26 0.68 0.88 0.00 0.00 46 A 8.82 4.70 1.14 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 0.00 0.00 47 Q 8.70 4.70 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 48 F 8.56 4.56 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 49 T 9.01 4.71 4.31 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 1.28 0.00 0.00 50 E 8.83 4.18 0.00 1.94 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 2.09 2.26 0.00 51 H 8.36 4.81 0.00 3.26 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.79 5.44 4.37 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 1.36 0.00 0.00 53 S 9.14 5.02 0.00 3.88 4.08 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 54 A 7.97 5.11 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 55 I 8.71 5.05 1.86 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.90 0.00 0.00 56 K 9.31 4.58 0.00 1.77 1.51 0.00 1.71 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.37 7.81 57 V 8.50 4.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 58 R 8.79 4.53 0.00 1.72 1.75 0.00 3.04 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 59 G 9.04 4.11 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 0.00 60 K 10.00 4.45 0.00 1.90 1.74 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 61 A 9.83 5.26 1.19 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 0.00 0.00 0.00 62 Y 8.99 4.88 0.00 3.09 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 5.12 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.92 0.00 0.00 64 Q 9.12 5.05 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 65 T 8.26 4.93 4.15 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 1.18 0.00 0.00 66 R 8.58 3.78 0.00 1.59 1.79 0.00 3.18 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 H 8.43 4.53 0.00 3.18 3.28 0.00 5.70 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 68 G 7.04 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 69 V 7.76 4.12 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 0.23 0.00 0.00 0.90 0.00 0.00 70 I 8.46 4.40 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.24 0.84 0.00 0.00 71 E 8.71 4.96 0.00 1.92 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 2.45 0.00 72 S 9.20 4.70 0.00 3.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00