NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 S 4.2243 8.3349 116.7954 58.7494 63.3008 170.2843 46 D 4.0642 8.7164 132.3390 54.2828 39.6201 173.1332 47 G 4.4038 8.4630 114.1365 45.9146 0.0000 171.3201 48 D 4.7432 7.8208 118.3956 55.4806 44.2371 179.0744 49 Q 3.7049 8.4983 117.0428 59.2176 28.7766 179.1164 50 C 4.4124 7.7950 115.3267 56.6810 43.6428 173.5670 51 A 4.1971 7.7627 122.3126 52.7585 19.3771 178.5782 52 S 4.5925 7.3528 109.6758 57.7795 64.0150 174.3801 53 S 3.6032 8.1540 112.9881 59.8641 60.6664 170.5892 54 P 4.4900 0.0000 0.0000 64.4842 31.8469 177.6447 55 C 5.1454 7.3234 115.0136 55.0891 43.0220 171.9774 56 Q 4.5026 7.6273 118.2315 54.5273 32.3325 174.6457 57 N 3.7926 8.9103 112.9564 55.0952 35.5373 174.6185 58 G 3.9723 8.1021 99.7837 46.3195 0.0000 174.2695 59 G 3.8679 7.5588 105.2121 45.5134 0.0000 174.3612 60 S 4.7700 8.6591 116.4342 57.7458 64.4112 170.5901 61 C 5.2688 8.6144 116.2810 53.7166 37.9512 173.2072 62 K 4.7359 8.9257 125.6673 54.7548 34.6070 174.5937 63 D 5.1722 8.6771 124.2034 52.7940 42.5532 175.5270 64 Q 4.8073 8.4862 127.9850 54.7175 31.1652 174.9251 65 L 4.3881 8.4372 116.6449 56.5243 42.3026 177.4249 66 Q 4.5547 7.6237 115.7031 56.2403 31.9768 175.4835 67 S 4.7726 7.7205 115.6633 58.2619 65.6752 178.2804 68 Y 5.2831 8.0392 109.2362 56.0045 40.7030 173.2807 69 I 4.4045 8.4733 121.5324 59.4146 40.5940 173.8841 70 C 5.4179 8.5350 127.6472 56.7053 39.3376 174.5470 71 F 4.4016 8.7775 121.9083 55.6410 38.3199 176.2195 72 C 4.6006 8.3992 120.8827 56.9584 39.3017 172.7327 73 L 4.6666 8.2831 120.3949 52.8114 43.1186 175.9158 74 P 4.3866 0.0000 0.0000 64.9547 31.5336 177.9210 75 A 3.8723 7.9931 121.4018 53.5772 18.7568 176.4842 76 F 5.3789 7.4811 113.2035 56.6543 42.5161 173.7974 77 E 4.6314 8.5200 117.7518 56.5662 32.9153 174.3836 78 G 4.4871 8.6436 110.1588 43.1049 0.0000 174.8235 79 R 3.9084 8.5396 120.1170 58.3599 30.0478 177.1315 80 N 4.9770 7.5518 114.6041 53.1589 39.8971 175.0450 81 C 4.2324 8.2216 110.1007 57.1861 38.4414 174.0519 82 E 3.8207 7.8582 120.9037 58.7030 29.7513 177.5719 83 T 4.5238 7.5143 116.7239 62.4135 67.5468 171.6189 84 H 4.8918 8.3726 122.2211 55.5101 30.9795 174.9750 85 K 4.1302 8.5089 124.9093 56.9055 31.5357 176.9319 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 45 S 8.33 4.22 0.00 3.88 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 46 D 8.72 4.06 0.00 2.90 2.83 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 47 G 8.46 4.40 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 48 D 7.82 4.74 0.00 2.70 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 49 Q 8.50 3.70 0.00 2.10 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 7.77 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 50 C 7.79 4.41 0.00 2.88 3.01 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 51 A 7.76 4.20 1.27 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 0.00 0.00 52 S 7.35 4.59 0.00 3.88 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 53 S 8.15 3.60 0.00 4.10 4.07 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 54 P 0.00 4.49 0.00 2.11 1.91 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 55 C 7.32 5.15 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 56 Q 7.63 4.50 0.00 2.21 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 57 N 8.91 3.79 0.00 1.90 1.42 0.00 0.00 6.72 7.57 0.00 0.00 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 G 8.10 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.56 3.87 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 0.00 0.00 0.00 60 S 8.66 4.77 0.00 4.25 3.94 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 61 C 8.61 5.27 0.00 2.96 3.06 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 62 K 8.93 4.74 0.00 2.11 2.34 0.00 1.91 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 63 D 8.68 5.17 0.00 2.70 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 64 Q 8.49 4.81 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 65 L 8.44 4.39 0.00 1.64 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.62 4.55 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 67 S 7.72 4.77 0.00 3.73 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 68 Y 8.04 5.28 0.00 3.20 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.47 4.40 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.27 1.04 0.00 0.00 70 C 8.54 5.42 0.00 3.12 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 71 F 8.78 4.40 0.00 3.04 3.09 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 72 C 8.40 4.60 0.00 3.05 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 73 L 8.28 4.67 0.00 1.98 1.73 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.03 2.12 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 75 A 7.99 3.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.48 5.38 0.00 3.03 3.05 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 77 E 8.52 4.63 0.00 1.98 1.76 0.00 0.00 0.00 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 2.35 0.00 78 G 8.64 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.54 3.91 0.00 1.81 1.87 0.00 3.03 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 N 7.55 4.98 0.00 2.72 2.67 0.00 0.00 7.29 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 81 C 8.22 4.23 0.00 3.01 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 82 E 7.86 3.82 0.00 1.95 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 0.00 2.35 2.31 0.00 83 T 7.51 4.52 4.32 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 1.23 0.00 0.00 84 H 8.37 4.89 0.00 3.48 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.51 4.13 0.00 1.69 1.65 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.42 7.81