NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9242 8.3549 109.7354 45.0663 0.0000 173.7088 3 K 3.8713 8.5657 123.1928 55.5938 32.8657 170.7114 4 V 4.4215 8.5450 121.0275 61.4113 35.5565 173.6466 5 Y 4.9731 8.6950 124.0214 56.1732 40.8513 174.6870 6 K 4.5524 8.1664 122.1066 54.5031 35.5278 174.7321 7 K 5.0652 8.4959 124.2669 54.6752 34.5646 175.8675 8 V 4.5105 8.7095 117.4140 59.4918 35.3617 174.4732 9 E 4.9436 8.7865 124.8950 55.0906 30.2820 174.8712 10 L 4.8584 8.8382 127.2806 52.8680 45.5536 175.9402 11 V 4.6925 8.2674 120.1654 61.2688 33.6640 174.9764 12 G 4.2206 8.8667 116.1520 45.4284 0.0000 172.2254 13 T 5.8305 7.9070 111.8082 59.0389 72.2463 172.9271 14 S 4.6319 8.1364 113.4772 58.0612 65.1575 176.2160 15 E 4.4340 9.0422 124.1926 57.7359 29.9965 178.1460 16 E 4.1579 8.6142 118.8740 57.5341 29.9590 176.6438 17 G 3.3019 7.0987 103.9183 44.6029 0.0000 172.9146 18 L 3.7843 7.3811 118.1210 57.8202 41.5852 178.9220 19 E 3.8860 8.1262 117.7861 59.7389 29.4387 179.3253 20 A 3.9206 7.9658 119.5760 54.9734 18.3268 179.4429 21 A 3.9014 7.6361 119.3261 55.3386 18.5424 179.7763 22 I 3.4859 7.6905 118.2729 64.8059 37.1222 178.7052 23 Q 3.8998 8.2846 118.7217 58.8317 28.4518 178.8729 24 A 3.9252 8.0588 121.6580 54.9799 18.3283 179.5954 25 A 3.8845 7.7500 118.9232 55.3531 18.4399 179.9553 26 L 3.8276 7.9321 117.3007 57.7080 41.3999 179.5921 27 A 3.9353 8.0675 120.5137 54.9468 18.4137 179.2859 28 R 3.9717 7.8738 116.6766 59.1219 30.1765 178.3763 29 A 3.8853 8.1048 120.8760 55.2173 18.1626 179.5987 30 R 3.8226 7.9075 115.7434 59.0283 30.1253 178.5493 31 K 4.1527 7.6125 118.2839 58.7400 32.0964 177.6790 32 T 4.5175 7.6716 105.3739 60.4683 70.4619 173.5305 33 L 4.5413 7.7312 121.6881 52.7517 43.8452 175.8368 34 R 4.5259 7.8568 119.8056 55.8453 33.2292 175.0521 35 H 4.2570 8.6647 114.8708 56.6368 25.8990 174.8186 36 L 4.5129 8.1835 118.9016 56.0394 41.9334 175.8892 37 D 5.2033 9.3275 122.7311 55.3308 43.2792 176.1335 38 W 5.5055 7.8579 113.1880 55.3753 31.8302 173.0723 39 F 5.3787 8.4009 114.0486 55.3524 40.9229 173.6552 40 E 4.7448 9.2237 119.0352 54.6417 33.2565 175.0436 41 V 4.3114 8.6853 124.7007 62.9013 31.9226 175.1145 42 K 4.5395 9.5733 127.4919 57.7278 33.8587 176.5965 43 E 4.8546 7.9935 117.0273 54.6227 34.4131 174.4314 44 I 5.0530 8.4412 122.0008 59.8882 40.0610 174.6876 45 A 4.6370 8.9177 128.7077 52.3704 22.9770 173.9942 46 G 4.1574 8.0405 102.5490 46.9594 0.0000 172.8062 47 T 4.7910 7.9330 109.8169 59.9103 71.8237 173.5273 48 I 4.8112 8.2523 122.7038 59.8227 40.0099 175.4015 49 G 4.3397 8.7296 116.8216 44.3072 0.0000 172.9009 50 E 3.9310 8.9546 117.4918 58.7230 29.6758 177.5292 51 A 4.6400 7.9067 119.4574 51.9158 20.4789 176.0434 52 G 4.0005 7.4750 106.0639 44.6643 0.0000 177.1608 53 V 3.7671 8.2546 126.1649 62.8655 31.6366 175.1014 54 K 4.1387 8.8882 129.4071 58.7520 33.4013 176.1471 55 E 4.7093 7.5914 120.5319 54.6743 33.1482 173.5330 56 Y 4.6713 9.1149 125.5936 57.6832 39.7311 174.5427 57 Q 5.0265 9.5473 122.7880 54.1511 32.4779 174.5172 58 V 4.7212 8.8536 125.1230 60.9634 34.1548 174.5358 59 V 4.6067 8.6216 129.7018 62.2933 32.4879 174.8199 60 L 5.3925 9.1033 127.7899 54.1578 44.5632 174.9287 61 E 4.8822 9.2476 120.5388 55.1821 31.5769 175.1089 62 V 4.4390 8.9360 125.3287 61.0957 33.7721 174.4069 63 G 3.2650 8.0871 116.0958 44.2048 0.0000 172.4078 64 F 5.6783 8.4478 118.1679 54.9637 41.9957 173.5196 65 R 4.2041 8.7256 121.1811 56.0354 30.5902 175.9712 66 L 4.3179 8.3841 127.5760 54.4200 42.2960 177.2188 67 E 4.2853 8.8656 123.3419 56.3690 30.8232 176.8425 68 E 4.6656 8.0719 116.9622 54.3296 29.6650 176.5793 69 T 4.0752 7.9751 118.1210 64.1282 68.4764 174.2887 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.57 3.87 0.00 1.51 1.49 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 V 8.54 4.42 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 1.07 0.00 0.00 0.88 0.00 0.00 5 Y 8.69 4.97 0.00 3.07 3.07 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 6 K 8.17 4.55 0.00 1.51 0.74 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.27 7.81 7 K 8.50 5.07 0.00 1.63 1.63 0.00 1.99 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.08 1.40 7.81 8 V 8.71 4.51 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 0.88 0.00 0.00 1.05 0.00 0.00 9 E 8.79 4.94 0.00 1.98 1.88 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 2.22 2.33 0.00 10 L 8.84 4.86 0.00 1.57 1.49 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.27 4.69 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.87 4.22 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 0.00 13 T 7.91 5.83 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 1.22 0.00 0.00 14 S 8.14 4.63 0.00 3.88 3.76 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 15 E 9.04 4.43 0.00 2.04 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 2.50 2.31 0.00 16 E 8.61 4.16 0.00 1.95 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 2.35 2.27 0.00 17 G 7.10 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 18 L 7.38 3.78 0.00 1.56 1.64 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 3.89 0.00 1.98 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 2.39 2.45 0.00 20 A 7.97 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 3.90 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 22 I 7.69 3.49 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.35 0.00 0.00 23 Q 8.28 3.90 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 24 A 8.06 3.93 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 25 A 7.75 3.88 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 26 L 7.93 3.83 0.00 1.59 1.63 0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.07 3.94 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 28 R 7.87 3.97 0.00 1.90 2.02 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.10 3.89 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 30 R 7.91 3.82 0.00 1.84 2.14 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.61 4.15 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 32 T 7.67 4.52 4.18 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 1.17 0.00 0.00 33 L 7.73 4.54 0.00 1.42 0.92 0.41 0.29 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 34 R 7.86 4.53 0.00 1.66 1.50 0.00 3.24 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.66 4.26 0.00 3.68 3.55 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.51 0.00 1.67 1.68 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.33 5.20 0.00 2.95 3.07 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 38 W 7.86 5.51 0.00 3.27 3.19 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 39 F 8.40 5.38 0.00 3.00 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 40 E 9.22 4.74 0.00 1.98 1.92 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 2.36 2.50 0.00 41 V 8.69 4.31 2.17 0.00 0.00 0.00 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 1.12 0.00 0.00 42 K 9.57 4.54 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.57 7.81 43 E 7.99 4.85 0.00 1.88 1.79 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 0.00 2.31 2.35 0.00 44 I 8.44 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 1.00 0.00 0.00 45 A 8.92 4.64 1.20 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 0.00 0.00 46 G 8.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.79 4.20 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 1.18 0.00 0.00 48 I 8.25 4.81 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.93 0.00 0.00 49 G 8.73 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 50 E 8.95 3.93 0.00 1.96 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 2.30 2.24 0.00 51 A 7.91 4.64 1.24 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 52 G 7.47 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 0.00 0.00 0.00 53 V 8.25 3.77 1.80 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 -0.25 0.00 0.00 0.65 0.00 0.00 54 K 8.89 4.14 0.00 1.84 1.70 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.59 4.71 0.00 2.05 1.67 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 2.20 2.27 0.00 56 Y 9.11 4.67 0.00 3.03 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 57 Q 9.55 5.03 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.85 4.72 2.09 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.62 4.61 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 0.92 0.00 0.00 1.00 0.00 0.00 60 L 9.10 5.39 0.00 1.98 1.76 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.25 4.88 0.00 1.88 1.88 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 2.29 2.43 0.00 62 V 8.94 4.44 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 0.92 0.00 0.00 0.89 0.00 0.00 63 G 8.09 3.27 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 0.00 0.00 0.00 0.00 64 F 8.45 5.68 0.00 3.36 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.73 4.20 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 66 L 8.38 4.32 0.00 1.57 1.54 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.87 4.29 0.00 2.00 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 0.00 2.38 2.46 0.00 68 E 8.07 4.67 0.00 1.89 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 2.15 2.25 0.00 69 T 7.98 4.08 4.24 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 1.22 0.00 0.00