NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3928 8.1127 119.6570 56.1587 32.3784 173.6228 5 E 4.8135 8.3807 120.2005 53.2291 32.6587 173.3835 6 C 4.2419 10.1254 127.8434 59.5456 32.5618 173.7266 7 D 4.4984 8.4914 124.0882 55.5929 39.7981 175.5610 8 Y 4.4548 8.1951 118.4024 58.7725 41.0134 176.3717 9 C 3.9614 8.1480 113.6967 58.5085 30.7097 175.2843 10 G 3.9538 8.3327 107.3564 44.7430 0.0000 173.2345 11 T 4.2782 7.5416 109.9324 61.1797 70.7038 173.3564 12 D 4.8928 8.4818 122.5536 54.2605 41.5845 176.3190 13 I 4.0369 8.3696 125.4998 60.4020 37.5918 175.8796 14 E 3.9209 8.9728 128.9555 55.4774 29.8865 174.7506 15 P 4.2386 0.0000 0.0000 64.4052 31.5317 175.6428 16 G 3.9199 8.9865 106.5580 46.5086 0.0000 173.1633 17 T 4.4669 7.8771 113.2835 63.0302 72.7139 174.6386 18 G 4.2257 8.7996 107.2701 46.1349 0.0000 172.8365 19 T 4.7882 8.5363 114.8879 61.6768 72.4141 172.7920 20 M 5.0616 8.7121 124.2747 53.9183 34.2072 174.5495 21 F 5.0242 9.5963 129.1627 56.9750 41.8366 174.5089 22 V 4.3817 7.5939 125.3093 61.1746 32.6043 175.1441 23 H 3.9864 8.7422 126.0706 54.9033 29.3267 176.4678 24 K 3.7612 8.6414 121.8152 59.8819 31.8935 177.6228 25 D 4.3746 8.0632 117.0471 55.3296 39.0990 176.8654 26 G 3.8421 7.7747 104.9479 44.7931 0.0000 173.8368 27 A 4.2608 10.1049 122.8396 52.5169 19.8126 176.6188 28 T 5.0126 8.3313 114.8282 62.1024 72.2125 174.0441 29 T 4.6350 8.8305 121.7147 62.1612 72.4462 172.7271 30 H 5.0951 9.7645 125.2912 55.1671 30.5037 174.7298 31 F 5.3696 9.6420 121.7280 55.8960 41.7149 176.3201 32 C 4.3069 9.2425 117.5054 60.5147 30.3414 172.9817 33 S 4.5981 7.5913 113.5721 57.2726 65.2792 175.4206 34 S 4.7665 8.4256 113.9129 60.5765 63.1835 176.4200 35 K 3.8270 8.0718 120.8363 59.9265 32.2902 177.7493 36 C 4.2852 8.3782 116.3699 63.4804 28.1217 176.4610 37 E 2.5400 7.9478 118.5826 59.2630 28.8197 179.8122 38 N 4.3905 7.9320 116.0187 56.2514 38.8800 177.1266 39 N 4.5281 8.5965 118.3592 55.9492 38.5525 176.9421 40 A 4.0325 7.6856 121.7578 55.6561 18.2666 179.2713 41 D 4.0782 7.9177 115.4149 57.0663 40.9385 178.5467 42 L 4.2965 7.6889 118.0832 55.4594 41.8447 177.7782 43 G 4.0144 8.6761 107.7144 45.2434 0.0000 173.6984 44 R 4.3613 7.6821 117.5798 55.3373 31.2688 175.5109 45 E 4.5670 8.5018 120.2060 54.3978 31.1726 176.9888 46 A 3.3677 8.1071 126.5454 55.1723 18.3365 179.7210 47 R 3.8279 7.6940 113.3188 58.7391 30.2313 177.0572 48 N 4.5994 8.1003 113.5679 52.7646 38.8997 174.6578 49 L 4.5125 7.2332 120.1519 52.6678 42.3161 177.1356 50 E 3.8996 8.8491 124.6597 58.1652 29.5278 178.1122 51 W 4.6467 7.2745 113.9220 56.4737 29.1737 176.2344 52 T 3.8155 7.3071 118.5545 62.7906 68.5089 175.1471 53 D 4.3361 8.8377 126.5937 57.9728 41.2227 178.1603 54 T 3.8734 7.9806 114.7091 66.6821 68.6262 175.3961 55 A 4.0020 7.7880 121.9682 55.1386 18.6473 177.4361 56 R 4.0746 7.9633 118.4353 56.5811 30.0264 176.5239 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 4 R 8.11 4.39 0.00 1.78 1.91 0.00 3.01 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.38 4.81 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 6 C 10.13 4.24 0.00 3.05 2.89 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 7 D 8.49 4.50 0.00 2.71 2.62 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 8 Y 8.20 4.45 0.00 2.68 2.98 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 9 C 8.15 3.96 0.00 3.06 3.25 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 0.00 0.00 0.00 10 G 8.33 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 0.00 0.00 0.00 11 T 7.54 4.28 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 1.33 0.00 0.00 12 D 8.48 4.89 0.00 2.61 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 13 I 8.37 4.04 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.97 0.00 0.00 14 E 8.97 3.92 0.00 1.93 1.91 0.00 0.00 0.00 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 2.40 0.00 15 P 0.00 4.24 0.00 2.22 2.08 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 8.99 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 17 T 7.88 4.47 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.80 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 19 T 8.54 4.79 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 1.26 0.00 0.00 20 M 8.71 5.06 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.42 0.00 21 F 9.60 5.02 0.00 3.15 3.16 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 22 V 7.59 4.38 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 0.73 0.00 0.00 0.85 0.00 0.00 23 H 8.74 3.99 0.00 3.25 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.64 3.76 0.00 1.74 1.87 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 D 8.06 4.37 0.00 2.81 2.80 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 26 G 7.77 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 10.10 4.26 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 28 T 8.33 5.01 4.25 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 0.00 0.00 1.21 0.00 0.00 29 T 8.83 4.64 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 30 H 9.76 5.10 0.00 3.19 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.64 5.37 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.24 4.31 0.00 3.18 3.17 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 0.00 0.00 0.00 0.00 33 S 7.59 4.60 0.00 4.00 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 34 S 8.43 4.77 0.00 3.94 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 35 K 8.07 3.83 0.00 1.70 1.88 0.00 1.48 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.42 1.36 7.81 36 C 8.38 4.29 0.00 3.30 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 37 E 7.95 2.54 0.00 1.80 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 1.47 2.22 0.00 38 N 7.93 4.39 0.00 2.81 2.81 0.00 0.00 7.21 7.54 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 39 N 8.60 4.53 0.00 3.08 3.14 0.00 0.00 6.77 7.45 0.00 0.00 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 A 7.69 4.03 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 41 D 7.92 4.08 0.00 2.56 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 42 L 7.69 4.30 0.00 1.88 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.68 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.68 4.36 0.00 2.12 1.99 0.00 3.33 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 45 E 8.50 4.57 0.00 1.97 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 0.00 2.35 2.29 0.00 46 A 8.11 3.37 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.83 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 48 N 8.10 4.60 0.00 2.77 2.82 0.00 0.00 6.83 8.71 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 49 L 7.23 4.51 0.00 1.16 0.89 1.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.85 3.90 0.00 2.02 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 0.00 2.31 2.32 0.00 51 W 7.27 4.65 0.00 3.59 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 52 T 7.31 3.82 4.01 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 0.00 0.00 0.97 0.00 0.00 53 D 8.84 4.34 0.00 2.80 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 54 T 7.98 3.87 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 1.06 0.00 0.00 55 A 7.79 4.00 1.25 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 0.00 0.00 0.00 0.00 0.00 56 R 7.96 4.07 0.00 1.92 1.84 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00