NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1343 8.0393 120.3994 62.8903 32.3163 174.3723 2 D 4.5641 8.3785 125.3298 51.1540 41.7469 173.9902 3 N 5.3667 8.6805 117.2001 52.9637 39.7380 178.4376 4 K 3.6700 7.8361 122.2667 59.5661 32.3136 178.4935 5 F 4.2138 7.9325 117.5005 60.3127 38.1619 177.4493 6 N 4.3319 8.2851 115.9965 56.1593 38.4403 176.4438 7 K 4.4817 7.5109 118.5556 57.2906 32.5050 178.1472 8 E 3.8106 8.2692 119.2280 60.0513 29.2221 179.0095 9 Q 3.9448 8.0505 118.1398 58.8273 28.6424 178.6765 10 Q 4.1375 7.5407 117.3832 59.2974 29.1672 177.8420 11 N 4.3276 9.0670 118.9440 56.6450 39.0423 176.7063 12 A 3.9934 8.7815 122.9586 55.0361 18.4190 179.1860 13 F 4.3082 8.7149 119.5832 61.7318 39.5052 176.4013 14 Y 3.6851 8.4028 119.2018 60.8845 38.5969 178.1610 15 E 3.9263 8.9829 119.4811 59.4487 29.3553 179.2546 16 I 3.7271 8.0705 118.9352 64.6769 37.3063 178.1720 17 L 4.0227 7.6411 118.2840 57.7060 41.5200 178.4544 18 H 4.3103 8.1168 113.3565 54.9154 29.1886 175.6215 19 L 4.1229 7.5872 123.7024 53.8193 41.8077 176.4675 20 P 4.3095 0.0000 0.0000 64.8987 31.5782 176.6432 21 N 4.9563 8.9228 115.8378 52.7328 39.4577 173.4353 22 L 4.5806 7.6279 119.5269 53.6888 42.8940 176.2355 23 N 4.8887 8.2048 120.2236 50.9385 40.1427 174.9883 24 E 3.9922 8.5816 117.2249 59.3588 29.4158 178.3400 25 E 3.8531 8.0727 118.9102 59.2867 29.8427 178.7276 26 Q 3.4839 8.5103 118.2659 58.7747 28.8979 178.5041 27 R 4.0678 8.3056 120.0352 59.5640 30.1115 178.0785 28 N 4.3618 8.2436 116.5742 56.6760 38.9178 176.5831 29 A 4.5223 7.6124 123.1379 54.6562 18.3227 179.6535 30 F 5.0914 7.8859 117.5395 60.6337 39.0066 178.0327 31 I 3.9047 8.1220 119.2825 64.2181 36.9198 178.7228 32 Q 3.9903 8.3220 119.6011 59.0474 28.7483 178.7550 33 S 4.2348 8.5474 115.5748 60.9695 62.7936 176.2683 34 L 4.0139 8.3886 123.8008 57.9771 42.0807 178.6454 35 K 4.0843 8.1292 117.5752 59.3352 31.9993 178.7065 36 D 4.7549 7.9393 118.1835 54.9252 41.1405 175.7365 37 D 4.7725 7.7253 119.3925 51.4756 42.2683 173.6357 38 P 4.7914 0.0000 0.0000 65.3212 31.8160 179.1028 39 S 2.9468 7.7230 114.0085 60.8372 62.9826 175.2462 40 Q 4.3358 8.4093 119.0946 56.2260 28.6422 177.2991 41 S 4.1237 8.0330 115.1947 62.3135 62.8869 176.3371 42 A 3.9648 8.1175 124.1377 54.8689 18.1548 179.0640 43 N 4.2719 8.2486 114.4376 56.5294 38.6104 177.4611 44 L 4.0764 8.3091 121.9977 57.0633 41.5960 179.3610 45 L 3.7188 7.9998 120.2398 57.8367 41.9629 178.6690 46 A 4.0021 8.5176 121.3649 55.2827 18.2896 179.5159 47 E 3.7679 8.8642 116.7974 59.4393 29.6066 179.1832 48 A 4.2742 7.7823 122.0852 54.8961 18.4506 179.8048 49 K 3.9415 8.7506 118.2074 59.3692 32.1262 179.4745 50 K 3.9685 8.6840 120.6585 59.5682 32.1109 178.9062 51 L 4.1008 8.4932 119.6707 57.5628 41.4225 178.7398 52 N 4.3236 8.5015 117.5486 56.9009 38.6234 176.5826 53 D 4.3848 7.8866 118.4417 56.8425 41.1841 178.4734 54 A 4.1362 7.8386 120.2820 55.5004 18.6042 179.6510 55 Q 4.0422 8.3642 114.9839 57.6682 29.0594 177.2116 56 A 4.6271 7.0803 121.8766 50.6797 19.0166 175.4346 57 P 4.4882 0.0000 0.0000 62.6980 32.2383 176.7996 58 K 4.1748 8.3117 118.7479 56.8084 32.9942 176.1840 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 V 8.04 4.13 2.10 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 1.03 0.00 0.00 0.94 0.00 0.00 2 D 8.38 4.56 0.00 2.84 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 3 N 8.68 5.37 0.00 2.81 2.86 0.00 0.00 7.26 7.69 0.00 0.00 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 K 7.84 3.67 0.00 1.58 1.59 0.00 1.44 0.00 0.00 1.23 0.00 0.00 2.68 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.55 1.17 7.81 5 F 7.93 4.21 0.00 3.19 3.09 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 6 N 8.29 4.33 0.00 3.04 2.89 0.00 0.00 6.78 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.51 4.48 0.00 1.60 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.59 7.81 8 E 8.27 3.81 0.00 2.08 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 0.00 2.32 2.21 0.00 9 Q 8.05 3.94 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 10 Q 7.54 4.14 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 11 N 9.07 4.33 0.00 2.88 2.81 0.00 0.00 7.19 8.18 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 12 A 8.78 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.31 0.00 3.12 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.40 3.69 0.00 3.15 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 15 E 8.98 3.93 0.00 2.23 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 2.50 2.59 0.00 16 I 8.07 3.73 2.25 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.32 1.17 0.00 0.00 17 L 7.64 4.02 0.00 1.33 1.37 -0.66 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.12 4.31 0.00 2.81 3.13 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.59 4.12 0.00 1.88 1.76 0.99 0.85 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 20 P 0.00 4.31 0.00 2.17 2.17 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 21 N 8.92 4.96 0.00 2.86 2.81 0.00 0.00 7.01 6.36 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 22 L 7.63 4.58 0.00 1.63 1.65 1.27 1.11 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 23 N 8.20 4.89 0.00 2.91 2.95 0.00 0.00 5.88 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 24 E 8.58 3.99 0.00 2.04 1.97 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 2.37 2.37 0.00 25 E 8.07 3.85 0.00 2.00 2.11 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 2.30 2.29 0.00 26 Q 8.51 3.48 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 27 R 8.31 4.07 0.00 1.86 2.07 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 28 N 8.24 4.36 0.00 2.91 2.92 0.00 0.00 7.15 7.26 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 29 A 7.61 4.52 1.22 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 0.00 0.00 0.00 30 F 7.89 5.09 0.00 3.38 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 31 I 8.12 3.90 2.20 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.09 0.93 0.00 0.00 32 Q 8.32 3.99 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 33 S 8.55 4.23 0.00 4.12 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 0.00 34 L 8.39 4.01 0.00 1.82 1.83 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.13 4.08 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.40 7.81 36 D 7.94 4.75 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.77 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 2.20 2.38 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 39 S 7.72 2.95 0.00 3.65 3.61 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 0.00 0.00 0.00 0.00 40 Q 8.41 4.34 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 41 S 8.03 4.12 0.00 4.21 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 0.00 42 A 8.12 3.96 1.43 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 0.00 0.00 43 N 8.25 4.27 0.00 2.98 2.90 0.00 0.00 7.10 6.76 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 44 L 8.31 4.08 0.00 1.74 1.54 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.00 3.72 0.00 1.70 1.77 0.87 1.29 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 46 A 8.52 4.00 1.38 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 0.00 0.00 0.00 47 E 8.86 3.77 0.00 2.28 2.25 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 2.17 1.99 0.00 48 A 7.78 4.27 0.97 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 0.00 0.00 49 K 8.75 3.94 0.00 1.99 1.86 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.42 7.81 50 K 8.68 3.97 0.00 1.82 2.00 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 51 L 8.49 4.10 0.00 2.10 1.81 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.50 4.32 0.00 2.96 3.04 0.00 0.00 7.20 8.22 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 53 D 7.89 4.38 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.14 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 55 Q 8.36 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 56 A 7.08 4.63 1.34 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 57 P 0.00 4.49 0.00 2.19 2.06 0.00 3.71 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 1.98 1.98 0.00 58 K 8.31 4.17 0.00 1.71 1.68 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.60 7.81