NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5853 8.1914 118.3205 59.3642 32.2414 173.8709 7 G 3.8247 8.8330 114.2400 47.0144 0.0000 170.1747 8 K 5.0796 9.0314 121.6027 53.9059 35.4239 174.1811 9 C 4.4725 8.3454 123.4019 58.0108 33.1735 172.5008 10 W 3.7222 7.9670 130.9009 56.9493 31.3723 175.6934 11 K 4.0338 8.1628 127.1484 57.0266 29.8730 176.8552 12 T 4.3092 7.0907 111.7599 59.4352 69.1717 175.5396 13 F 4.4220 8.2213 133.0499 57.4901 37.2688 176.2895 14 T 4.4749 7.5320 117.9533 62.5491 70.0325 176.0946 15 D 4.9427 8.6689 126.2286 54.2457 41.7679 175.2204 16 E 4.8401 8.4890 118.8603 55.2614 34.7183 174.1315 17 Q 4.6809 8.3678 117.0825 54.3613 32.2000 176.6660 18 L 4.0994 8.3380 117.6451 55.9018 41.2915 178.0609 19 K 4.3778 7.6844 118.7301 56.4697 32.2772 178.4020 20 V 4.0734 7.3871 110.9444 60.8373 31.0127 177.2863 21 L 4.7263 7.4971 118.7963 52.4614 44.3062 175.4301 22 P 4.5274 0.0000 0.0000 63.8080 32.3986 176.5510 23 G 3.8292 7.8684 107.1864 45.5218 0.0000 172.5992 24 V 4.3630 8.0609 117.1279 61.9871 33.1368 177.3807 25 R 4.9577 7.3699 123.5277 56.8282 29.4387 177.8564 26 C 4.5177 8.5388 123.9421 58.8649 31.5232 171.0498 27 P 4.4540 0.0000 0.0000 63.0488 31.5165 173.7257 28 Y 3.5549 7.8145 121.3636 58.4054 36.9674 169.5639 29 C 3.7957 8.0142 112.9429 60.3537 28.7163 175.7671 30 G 3.5253 8.7588 113.5949 47.3589 0.0000 173.0427 31 Y 3.9179 7.2100 121.5507 58.4691 38.9419 176.0152 32 K 4.7679 8.8012 125.0211 56.4951 32.7114 177.2692 33 I 3.6728 8.4476 122.4411 63.8570 37.4313 177.8059 34 I 3.1478 6.8661 116.1454 59.5525 36.3609 173.0489 35 F 5.1904 8.0360 125.3451 54.9829 41.4750 174.0373 36 M 4.5099 9.1081 120.6306 56.3595 32.4446 175.8377 37 V 4.4926 7.6395 121.7786 58.9848 34.9756 174.8359 38 R 3.6451 8.6644 119.9895 56.2454 29.6103 175.3713 39 K 3.8920 8.7155 127.0492 56.2634 32.4802 175.8542 40 P 4.6428 0.0000 0.0000 62.5024 29.2424 175.1318 41 T 4.6107 7.2904 118.8936 61.9080 72.4884 173.8648 42 I 3.9339 8.2110 123.4223 60.5751 38.0429 175.1734 43 K 4.4982 8.5195 127.4267 54.5558 34.1384 175.6456 44 I 4.1574 8.3372 125.1685 59.9862 37.7374 175.1304 45 V 4.2984 8.1346 125.8208 60.4077 32.9660 175.1965 46 K 4.1095 8.5630 126.7921 56.7823 33.3242 177.7859 47 A 4.3380 8.3295 127.5505 50.7997 17.2164 177.1485 48 I 4.0608 7.6064 122.1036 60.8147 37.4683 176.0463 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 6 C 8.19 4.59 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 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 8 K 9.03 5.08 0.00 1.85 1.79 0.00 1.91 0.00 0.00 2.02 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.30 7.81 9 C 8.35 4.47 0.00 3.17 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 10 W 7.97 3.72 0.00 2.12 1.74 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 11 K 8.16 4.03 0.00 2.02 2.00 0.00 1.94 0.00 0.00 2.00 0.00 0.00 3.71 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.82 1.74 7.81 12 T 7.09 4.31 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 1.20 0.00 0.00 13 F 8.22 4.42 0.00 3.01 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 14 T 7.53 4.47 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 1.24 0.00 0.00 15 D 8.67 4.94 0.00 2.57 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 16 E 8.49 4.84 0.00 1.87 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 2.30 2.50 0.00 17 Q 8.37 4.68 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 18 L 8.34 4.10 0.00 1.67 1.70 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.68 4.38 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.41 7.81 20 V 7.39 4.07 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 0.81 0.00 0.00 0.94 0.00 0.00 21 L 7.50 4.73 0.00 1.58 1.55 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.53 0.00 2.16 2.16 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 23 G 7.87 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 24 V 8.06 4.36 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 0.79 0.00 0.00 0.95 0.00 0.00 25 R 7.37 4.96 0.00 1.82 1.41 0.00 3.24 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 26 C 8.54 4.52 0.00 3.21 2.87 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 0.00 0.00 0.00 27 P 0.00 4.45 0.00 2.34 2.15 0.00 4.06 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 28 Y 7.81 3.55 0.00 3.13 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 29 C 8.01 3.80 0.00 3.08 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 30 G 8.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 3.92 0.00 2.95 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 32 K 8.80 4.77 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.62 7.81 33 I 8.45 3.67 1.44 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 1.54 0.55 0.79 0.00 0.00 34 I 6.87 3.15 1.83 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 1.43 1.11 0.92 0.00 0.00 35 F 8.04 5.19 0.00 3.05 3.13 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 36 M 9.11 4.51 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 37 V 7.64 4.49 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 0.71 0.00 0.00 0.98 0.00 0.00 38 R 8.66 3.65 0.00 1.78 1.96 0.00 3.24 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 K 8.72 3.89 0.00 1.76 1.75 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 40 P 0.00 4.64 0.00 2.22 2.08 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 41 T 7.29 4.61 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 1.21 0.00 0.00 42 I 8.21 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.91 0.00 0.00 43 K 8.52 4.50 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 44 I 8.34 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.91 0.00 0.00 45 V 8.13 4.30 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 0.84 0.00 0.00 0.92 0.00 0.00 46 K 8.56 4.11 0.00 1.90 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 47 A 8.33 4.34 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 48 I 7.61 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.91 0.00 0.00