NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9635 8.3549 109.7384 45.3873 0.0000 172.6136 2 R 4.7102 8.2360 117.4705 53.3430 33.2051 173.3102 3 Y 4.3804 9.4289 123.5328 57.7987 40.7197 174.2357 4 T 5.2051 7.5570 115.3568 60.2983 72.5803 172.5206 5 T 4.7683 8.3266 111.9762 59.4967 71.9929 174.7807 6 D 4.4518 8.9405 121.4002 55.5743 39.6281 176.6636 7 D 4.7553 8.2832 118.3830 53.1209 39.5622 176.9820 8 G 3.9295 8.3065 106.6927 45.8705 0.0000 173.2785 9 Y 4.1781 7.9458 121.6520 56.9345 40.0544 174.0403 10 I 4.7231 6.9816 125.5409 58.5181 40.6694 174.6385 11 F 4.3766 9.0108 132.4889 58.5111 40.1649 173.9324 12 N 4.4386 8.0416 122.9071 51.1765 41.6328 174.8437 13 A 3.3170 8.0384 128.8400 54.9323 18.5944 178.5399 14 S 2.0000 7.1343 107.3163 58.4539 63.1961 174.5223 15 D 4.4198 7.4363 120.7186 55.5095 41.0174 176.7001 16 I 4.1412 7.0926 121.4921 61.1993 37.2814 175.7909 17 I 4.4530 8.5644 118.5525 60.9192 39.1470 175.1988 18 E 4.6754 7.7501 120.4180 55.0995 32.2295 172.9337 19 D 5.3190 8.6077 123.8263 52.7726 42.9186 175.6793 20 T 4.1245 8.5910 117.2228 62.2841 69.4672 174.1448 21 G 4.1538 8.9256 110.9180 45.2073 0.0000 173.9458 22 D 4.8596 7.8869 115.3068 52.6281 41.1575 175.5371 23 A 4.4482 7.2522 119.6364 51.1815 22.6589 174.6030 24 Y 5.2984 8.3702 116.8896 56.3505 41.5427 174.9244 25 I 5.0994 8.7692 123.0935 59.8959 39.9113 175.2569 26 V 5.1133 8.6524 118.9604 58.8991 35.8791 173.3620 27 P 4.7669 0.0000 0.0000 62.9835 32.9544 175.3942 28 H 4.6179 9.0249 120.7697 56.1813 33.8185 173.2227 29 G 3.5045 8.1794 116.9336 47.2631 0.0000 173.2624 30 D 4.6785 8.6951 124.6236 53.0212 39.6530 175.5567 31 H 4.6305 7.6373 115.4076 55.3359 30.9546 171.2716 32 Y 5.1687 8.3171 114.6244 57.2838 42.1161 174.4166 33 H 5.0666 9.3768 119.2549 54.2943 32.1063 172.5382 34 Y 5.1110 8.7369 122.9120 56.2441 40.3767 174.7972 35 I 4.1968 8.2864 127.6456 58.4934 39.9912 173.4132 36 P 4.2641 0.0000 0.0000 62.0958 32.1034 178.3710 37 K 3.7761 8.5666 122.4353 59.1899 32.0573 178.4652 38 N 4.5859 8.0047 113.5862 53.8756 37.3379 175.0246 39 E 4.5854 8.0448 117.6166 56.2334 30.3782 175.5794 40 L 4.6797 7.3516 119.3369 53.0130 43.5415 177.1325 41 S 4.4607 8.9988 117.4751 57.4067 65.3094 175.3154 42 A 3.9832 8.4830 123.3434 55.7148 17.9107 180.0541 43 S 4.1032 8.0451 112.8886 61.7763 62.8678 176.6877 44 E 4.1412 8.3435 121.2401 59.4869 29.2149 179.4343 45 L 4.0677 8.3043 119.1257 57.6449 41.5955 179.4507 46 A 4.0080 8.3209 120.6395 55.1912 18.3438 179.5560 47 A 3.9635 8.4525 119.4171 55.1167 18.3396 179.6738 48 A 3.9135 8.4381 119.6162 55.3155 18.4152 179.4935 49 E 3.8917 8.3270 117.5723 59.3857 29.5274 178.7887 50 A 3.9940 8.0305 119.7591 55.0794 18.3697 179.1321 51 F 4.2623 8.4173 119.0781 61.6195 39.3340 177.4800 52 L 3.7833 8.0157 117.6405 57.5958 41.4883 179.3840 53 S 4.3213 8.2476 113.7279 60.5961 63.0867 175.0251 54 G 3.7878 7.4524 112.8265 44.7291 0.0000 173.2360 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 G 8.35 3.96 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 0.00 0.00 0.00 2 R 8.24 4.71 0.00 1.86 1.87 0.00 3.21 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 3 Y 9.43 4.38 0.00 3.00 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 4 T 7.56 5.21 4.13 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 1.13 0.00 0.00 5 T 8.33 4.77 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 1.28 0.00 0.00 6 D 8.94 4.45 0.00 2.80 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 7 D 8.28 4.76 0.00 2.89 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 8 G 8.31 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.18 0.00 2.73 2.75 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 0.00 0.00 0.00 10 I 6.98 4.72 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.69 0.00 0.00 11 F 9.01 4.38 0.00 3.29 3.20 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 12 N 8.04 4.44 0.00 2.46 2.56 0.00 0.00 6.79 8.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.04 3.32 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 14 S 7.13 2.00 0.00 3.50 3.44 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 15 D 7.44 4.42 0.00 2.69 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 16 I 7.09 4.14 1.91 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.36 1.02 0.00 0.00 17 I 8.56 4.45 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 1.07 0.00 0.00 18 E 7.75 4.68 0.00 2.02 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 2.33 2.32 0.00 19 D 8.61 5.32 0.00 2.89 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 20 T 8.59 4.12 4.27 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 1.28 0.00 0.00 21 G 8.93 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 0.00 0.00 0.00 0.00 22 D 7.89 4.86 0.00 2.72 2.79 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 0.00 0.00 0.00 23 A 7.25 4.45 0.32 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 24 Y 8.37 5.30 0.00 2.94 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 25 I 8.77 5.10 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.98 0.00 0.00 26 V 8.65 5.11 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 0.85 0.00 0.00 0.48 0.00 0.00 27 P 0.00 4.77 0.00 1.94 2.03 0.00 3.90 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 1.97 1.99 0.00 28 H 9.02 4.62 0.00 2.97 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.18 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.68 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.64 4.63 0.00 3.25 3.39 0.00 5.21 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.32 5.17 0.00 2.83 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 33 H 9.38 5.07 0.00 2.90 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.74 5.11 0.00 2.94 2.79 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 0.00 0.00 0.00 35 I 8.29 4.20 1.68 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 -0.03 0.00 0.00 36 P 0.00 4.26 0.00 2.26 1.91 0.00 3.52 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 37 K 8.57 3.78 0.00 1.67 1.70 0.00 0.91 0.00 0.00 1.29 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.01 0.85 7.81 38 N 8.00 4.59 0.00 2.79 2.89 0.00 0.00 5.90 7.66 0.00 0.00 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 E 8.04 4.59 0.00 2.10 2.23 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 2.31 2.27 0.00 40 L 7.35 4.68 0.00 1.65 1.37 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.00 4.46 0.00 4.03 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 0.00 42 A 8.48 3.98 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 43 S 8.05 4.10 0.00 3.91 3.96 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 44 E 8.34 4.14 0.00 2.17 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 45 L 8.30 4.07 0.00 1.83 1.77 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.32 4.01 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 47 A 8.45 3.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.91 1.23 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 49 E 8.33 3.89 0.00 2.19 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 0.00 2.35 2.41 0.00 50 A 8.03 3.99 1.42 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 0.00 0.00 0.00 51 F 8.42 4.26 0.00 3.12 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 52 L 8.02 3.78 0.00 1.71 1.71 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.25 4.32 0.00 4.00 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 54 G 7.45 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00