NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1753 8.2549 117.2627 54.7314 31.0960 174.8558 2 P 3.9929 0.0000 0.0000 62.2637 31.9330 176.3096 3 D 4.3548 8.3772 121.3953 57.2882 41.6952 178.5479 4 F 4.5936 7.6912 113.9845 59.2178 37.8247 177.7924 5 C 4.5567 7.3942 116.4965 59.2142 40.0305 174.6965 6 L 4.2445 7.5638 118.5049 54.1291 42.0140 176.5026 7 E 4.3876 7.5796 118.1058 54.4031 30.7470 174.8533 8 P 4.4074 0.0000 0.0000 61.7552 32.0885 174.2935 9 P 3.6801 0.0000 0.0000 62.4242 31.5933 175.3229 10 Y 4.6363 7.7072 120.5031 56.0771 40.7045 175.4045 11 T 4.1131 8.3669 124.9486 65.9865 68.7961 176.0475 12 G 3.5836 6.9021 105.0321 43.9547 0.0000 171.1295 13 P 4.3558 0.0000 0.0000 64.1249 31.9102 177.4211 14 C 4.5023 7.7988 117.0398 56.9415 40.8842 173.6522 15 K 4.3045 8.2287 118.5054 56.2724 31.9663 176.5539 16 A 4.2145 7.9982 123.2635 51.6695 20.2533 177.3835 17 R 4.5299 8.3538 119.1472 54.2553 30.6997 172.9296 18 I 4.4646 8.4673 124.5407 58.7887 40.1120 174.5927 19 I 4.2819 8.3375 128.5606 61.1979 37.7896 175.4261 20 R 4.7125 8.2668 125.0752 54.5193 34.8622 173.6249 21 Y 5.5890 9.3335 117.4955 56.4659 41.0815 175.4153 22 F 5.5317 9.3933 116.9981 55.2829 42.0631 172.9129 23 Y 4.5081 9.5210 122.4933 56.9620 40.2521 173.7518 24 N 4.7495 8.2647 126.6217 51.7487 39.0806 175.0963 25 A 3.9626 8.5678 130.3964 55.0598 18.9263 178.9814 26 K 4.0490 8.1618 114.0969 59.5293 32.3406 178.3917 27 A 4.0031 7.8280 119.8229 52.9479 18.5616 178.0455 28 G 3.9296 9.4284 103.9140 45.2174 0.0000 172.7721 29 L 4.6581 6.8355 117.6069 54.3705 44.2322 174.5313 30 C 5.0817 8.6835 117.2928 56.4033 42.3387 173.3963 31 Q 5.0370 8.4930 122.6268 53.9343 32.2327 175.2962 32 T 4.6467 8.4638 111.5370 61.8953 70.2093 173.3788 33 F 5.0378 8.7540 116.9278 55.8271 42.1656 173.0710 34 V 4.3641 8.3695 119.6757 61.7515 32.3222 174.1859 35 Y 4.7072 9.0026 131.1571 56.3581 40.2228 176.3090 36 G 3.8068 8.1346 112.8406 45.8580 0.0000 174.9084 37 G 3.8508 6.3767 107.0665 45.3424 0.0000 172.4203 38 C 4.9024 7.0781 112.0918 54.9342 44.5096 173.1474 39 R 3.8241 8.8393 116.2860 56.9409 27.1497 176.8759 40 A 4.2460 8.3760 118.7108 52.6550 19.0786 177.8797 41 K 4.5231 8.2243 119.8548 54.4623 34.5966 177.0166 42 R 3.6969 8.2080 118.0929 59.1920 30.3104 177.7323 43 N 4.7717 8.0832 117.6463 51.3549 37.3564 173.8719 44 N 5.0770 7.6949 116.3678 52.7819 41.3366 172.9080 45 A 4.9451 9.5128 128.7910 50.2107 22.1884 176.6702 46 K 4.4566 8.6498 118.5181 58.0786 32.8934 177.7954 47 S 4.6799 7.6541 112.4090 55.4650 67.5528 174.5735 48 A 3.3146 7.3555 123.3997 54.6943 17.9163 179.6538 49 E 3.7654 7.7777 117.4939 59.4998 29.9282 178.5488 50 D 4.3156 7.8431 118.5552 57.4693 40.8185 177.9383 51 C 4.3019 7.9384 118.3897 60.1157 41.9244 175.6039 52 M 3.9523 8.5771 120.5060 58.3345 31.3001 178.6987 53 R 3.7796 7.9721 118.0545 59.6376 30.2875 178.5712 54 T 4.0338 7.6943 114.2353 66.4896 68.7235 175.4339 55 C 4.5567 8.2186 115.0251 56.3535 41.9114 174.8229 56 G 3.6275 7.5495 106.4587 44.7690 0.0000 173.6936 57 G 3.5972 8.7328 110.3879 46.0388 0.0000 173.4065 58 A 4.0483 8.3323 125.8453 53.0438 19.0561 175.8510 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 R 8.25 4.18 0.00 1.70 1.85 0.00 3.12 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 2 P 0.00 3.99 0.00 0.92 1.71 0.00 3.28 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 3 D 8.38 4.35 0.00 2.69 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 4 F 7.69 4.59 0.00 3.58 3.35 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 5 C 7.39 4.56 0.00 2.94 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 6 L 7.56 4.24 0.00 1.77 1.74 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.58 4.39 0.00 2.12 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 2.50 2.27 0.00 8 P 0.00 4.41 0.00 2.10 2.05 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.68 0.00 0.53 0.49 0.00 3.28 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.71 4.64 0.00 2.80 2.91 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 0.00 0.00 0.00 11 T 8.37 4.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 12 G 6.90 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.18 2.19 0.00 3.77 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 1.99 2.04 0.00 14 C 7.80 4.50 0.00 2.89 2.94 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 0.00 0.00 0.00 15 K 8.23 4.30 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 16 A 8.00 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.35 4.53 0.00 1.73 1.77 0.00 3.15 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 18 I 8.47 4.46 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.97 0.00 0.00 19 I 8.34 4.28 1.77 0.00 0.00 0.77 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 0.67 0.68 0.00 0.00 20 R 8.27 4.71 0.00 0.83 1.83 0.00 3.42 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 21 Y 9.33 5.59 0.00 3.16 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 22 F 9.39 5.53 0.00 3.05 2.81 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 0.00 0.00 0.00 0.00 23 Y 9.52 4.51 0.00 3.06 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 24 N 8.26 4.75 0.00 2.21 2.41 0.00 0.00 6.65 8.21 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 25 A 8.57 3.96 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.16 4.05 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 27 A 7.83 4.00 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 28 G 9.43 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 29 L 6.84 4.66 0.00 1.70 1.72 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 5.08 0.00 2.92 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 31 Q 8.49 5.04 0.00 1.51 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 32 T 8.46 4.65 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 0.76 0.00 0.00 33 F 8.75 5.04 0.00 3.04 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 34 V 8.37 4.36 2.03 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 9.00 4.71 0.00 2.53 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 36 G 8.13 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.38 3.85 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 0.00 0.00 0.00 38 C 7.08 4.90 0.00 3.07 2.99 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 0.00 0.00 0.00 39 R 8.84 3.82 0.00 2.23 2.26 0.00 3.34 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 40 A 8.38 4.25 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.52 0.00 1.75 1.81 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.65 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.30 1.13 7.81 42 R 8.21 3.70 0.00 1.30 0.66 0.00 2.69 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 43 N 8.08 4.77 0.00 3.17 2.86 0.00 0.00 6.68 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 44 N 7.69 5.08 0.00 2.78 2.78 0.00 0.00 7.02 7.96 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 45 A 9.51 4.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 4.46 0.00 1.81 1.95 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 47 S 7.65 4.68 0.00 3.86 3.89 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 48 A 7.36 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.78 3.77 0.00 1.97 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 2.34 2.36 0.00 50 D 7.84 4.32 0.00 2.77 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 51 C 7.94 4.30 0.00 3.10 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 52 M 8.58 3.95 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 53 R 7.97 3.78 0.00 1.77 2.16 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 T 7.69 4.03 4.43 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 1.47 0.00 0.00 55 C 8.22 4.56 0.00 2.52 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 3.63 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 0.00 0.00 0.00 57 G 8.73 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.33 4.05 1.17 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 0.00 0.00