NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7843 8.0033 119.0469 56.9603 39.9792 173.7115 3 F 4.8796 8.9652 118.9980 55.8338 41.1741 172.0672 4 E 4.8476 9.9494 122.6218 55.0097 33.2468 173.5911 5 I 5.2306 8.7708 128.0614 60.0524 39.3348 174.4503 6 Y 5.0445 8.6820 123.8732 55.9749 42.2428 173.0420 7 K 4.9894 8.8146 120.5052 54.6913 34.5620 175.7089 8 D 4.8308 8.7141 127.3020 52.1283 41.2636 176.5426 9 A 4.2136 8.4787 120.3948 53.9052 18.3864 178.1441 10 K 4.2815 8.1671 114.0281 55.7056 32.5134 176.9373 11 G 3.7689 8.0414 107.0538 45.7448 0.0000 173.0661 12 E 4.5948 8.5499 117.1322 54.2080 33.4970 174.0427 13 Y 5.1913 8.1073 117.4546 56.7056 39.7387 175.3536 14 R 5.4115 8.5706 120.2021 54.1702 33.8575 173.8221 15 W 5.9123 8.5440 115.6100 54.0355 32.2759 174.4316 16 R 4.9322 8.7492 116.0867 55.1662 32.4977 173.7048 17 L 4.3194 8.7517 127.0200 53.7520 42.2452 175.5792 18 K 4.6345 7.8115 125.0099 55.2197 33.6765 176.9567 19 A 4.2939 8.6818 126.1074 50.6603 20.1094 178.4611 20 A 4.0444 8.6162 121.8679 55.5477 17.0986 178.2048 21 N 4.6232 8.0867 111.6603 53.1714 37.5928 175.0803 22 H 4.3747 8.0928 113.2620 57.5682 27.0291 174.3995 23 E 4.2649 7.5556 119.8256 54.9585 29.8863 175.9931 24 I 3.9843 8.2876 125.2233 61.9399 37.1745 175.7030 25 I 4.1794 8.1944 127.3275 63.4243 37.9861 176.6837 26 A 4.6233 7.6999 121.3876 50.6806 22.7301 175.2567 27 Q 4.3004 8.4732 120.4857 53.9166 30.6199 176.1354 28 G 2.3966 7.0646 112.2161 44.9347 0.0000 171.7561 29 E 4.3736 8.5007 121.5715 55.2099 31.3670 175.2522 30 G 4.2090 8.1867 107.4225 44.6525 0.0000 172.3431 31 Y 4.8194 8.7643 117.5387 56.8918 42.1148 175.6853 32 T 4.2390 9.1090 112.4021 63.9470 68.8105 175.2547 33 S 5.0573 7.7471 115.5329 56.5736 66.8292 174.7255 34 K 3.0958 8.1172 123.1715 58.8471 31.9567 179.0425 35 Q 3.7834 7.7648 119.7156 59.3161 29.0814 177.8544 36 N 4.2888 8.0843 117.3894 56.2795 38.4687 177.0540 37 C 2.8756 7.2783 118.8409 62.0317 31.7303 175.4332 38 Q 3.7907 7.7031 120.9915 59.1369 28.5529 177.6393 39 H 4.0778 7.9297 118.9115 58.8891 29.8855 177.1045 40 A 3.7583 7.4609 122.2883 55.0431 18.2115 179.7702 41 V 2.7048 7.0276 116.2373 65.9358 31.2534 178.0087 42 D 4.1661 7.3855 117.2743 57.1618 40.8592 178.4966 43 L 4.0019 7.5812 119.5274 57.5474 41.5881 179.4114 44 L 3.8889 7.5932 119.1532 57.6296 41.4028 179.5735 45 K 4.2422 7.6394 116.5118 58.7317 32.7575 178.2500 46 S 4.4531 7.3766 113.7794 58.1979 63.6583 174.3474 47 T 3.8767 7.2224 121.0324 64.0319 68.5972 174.2913 48 T 4.3252 8.2786 120.5996 60.8144 68.9785 173.6856 49 A 4.4529 8.3627 123.2285 52.3866 18.4811 177.8451 50 A 4.6323 7.4473 121.4090 53.3831 20.7152 178.0587 51 T 3.8719 8.0071 113.0037 63.0140 68.7812 172.4319 52 P 4.3770 0.0000 0.0000 62.6137 32.0277 176.0743 53 V 4.3224 8.1723 118.8164 60.9670 33.1882 174.8156 54 K 4.7460 8.5161 125.6936 54.7802 35.5637 175.1982 55 E 4.7508 8.4445 117.3736 54.4719 32.3074 176.0428 56 V 4.0905 8.0399 113.5592 61.0888 32.9028 176.4520 57 L 4.0637 8.0644 120.3823 56.6174 39.6350 174.6694 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 Y 8.00 4.78 0.00 3.14 3.18 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 0.00 3 F 8.97 4.88 0.00 3.08 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 4 E 9.95 4.85 0.00 2.14 1.93 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 2.40 2.51 0.00 5 I 8.77 5.23 1.96 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 1.52 0.86 0.94 0.00 0.00 6 Y 8.68 5.04 0.00 3.10 3.12 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 0.00 7 K 8.81 4.99 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.15 7.81 8 D 8.71 4.83 0.00 2.96 2.93 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 9 A 8.48 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.28 0.00 1.84 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.41 7.81 11 G 8.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.55 4.59 0.00 2.23 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 0.00 2.51 2.19 0.00 13 Y 8.11 5.19 0.00 3.07 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 14 R 8.57 5.41 0.00 1.64 2.00 0.00 2.71 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 15 W 8.54 5.91 0.00 3.66 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 16 R 8.75 4.93 0.00 1.87 2.09 0.00 2.96 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 2.00 1.74 0.00 17 L 8.75 4.32 0.00 1.69 1.62 0.75 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.81 4.63 0.00 0.93 1.45 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.23 7.81 19 A 8.68 4.29 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 20 A 8.62 4.04 1.30 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 21 N 8.09 4.62 0.00 2.86 3.01 0.00 0.00 6.26 7.90 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 22 H 8.09 4.37 0.00 3.35 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.56 4.26 0.00 2.26 1.85 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 2.31 2.42 0.00 24 I 8.29 3.98 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.42 0.86 0.00 0.00 25 I 8.19 4.18 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 0.90 0.00 0.00 26 A 7.70 4.62 1.28 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 0.00 0.00 0.00 27 Q 8.47 4.30 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.98 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 28 G 7.06 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 4.37 0.00 1.94 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 2.17 2.27 0.00 30 G 8.19 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 0.00 0.00 0.00 31 Y 8.76 4.82 0.00 3.20 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 32 T 9.11 4.24 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 S 7.75 5.06 0.00 4.11 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 34 K 8.12 3.10 0.00 0.79 1.42 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.80 7.81 35 Q 7.76 3.78 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 36 N 8.08 4.29 0.00 2.85 2.94 0.00 0.00 6.74 7.24 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 37 C 7.28 2.88 0.00 2.77 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 38 Q 7.70 3.79 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 39 H 7.93 4.08 0.00 3.20 3.32 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.46 3.76 1.16 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 41 V 7.03 2.70 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 0.05 0.00 0.00 0.50 0.00 0.00 42 D 7.39 4.17 0.00 2.69 2.58 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 43 L 7.58 4.00 0.00 1.67 1.58 0.74 0.53 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 44 L 7.59 3.89 0.00 1.42 1.57 0.03 0.43 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 45 K 7.64 4.24 0.00 1.93 1.90 0.00 1.28 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.35 7.81 46 S 7.38 4.45 0.00 4.00 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 47 T 7.22 3.88 4.36 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 1.22 0.00 0.00 48 T 8.28 4.33 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 49 A 8.36 4.45 1.28 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 0.00 0.00 0.00 50 A 7.45 4.63 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 51 T 8.01 3.87 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 1.22 0.00 0.00 52 P 0.00 4.38 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 V 8.17 4.32 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 0.90 0.00 0.00 0.95 0.00 0.00 54 K 8.52 4.75 0.00 1.85 1.72 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.40 7.81 55 E 8.44 4.75 0.00 2.06 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 2.16 2.28 0.00 56 V 8.04 4.09 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 0.75 0.00 0.00 0.94 0.00 0.00 57 L 8.06 4.06 0.00 1.69 1.57 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00