NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5126 8.1633 120.2945 55.2200 34.2589 173.7747 2 Q 4.7766 8.4073 119.8631 55.1681 29.9570 173.7098 3 Y 5.1899 9.5119 120.9725 56.1388 42.8078 174.1506 4 K 5.2557 9.5486 122.3224 54.6655 36.1275 174.4167 5 L 4.9608 8.7375 127.7931 53.1876 44.9839 174.8627 6 I 4.6824 8.6565 127.4926 59.7832 39.2632 174.4714 7 L 4.7612 8.7688 128.2599 53.1586 43.7382 175.2302 8 N 4.9485 9.1846 124.5231 51.5090 39.6161 173.4200 9 G 4.4290 8.5159 111.6918 43.7949 0.0000 171.1555 10 K 4.3208 9.4124 119.6085 57.8766 32.2959 178.3737 11 T 4.5638 7.7325 106.3334 61.1156 70.6949 173.5122 12 L 4.6240 7.3375 120.9141 54.4932 43.1840 174.0445 13 K 5.0041 8.0195 117.9858 55.1770 36.2292 175.3478 14 G 4.0699 8.5898 108.4471 45.9551 0.0000 172.3059 15 V 4.9262 8.2950 118.9560 61.1174 34.2051 174.3845 16 L 5.1513 9.1606 127.9239 53.1192 45.3339 175.6970 17 T 5.6729 8.7303 111.6935 60.2124 71.9410 172.8642 18 I 4.8472 8.9551 115.6399 59.5024 41.7768 173.1246 19 E 5.0632 8.8106 124.0294 55.2795 30.4136 175.0042 20 A 4.7497 9.1148 127.7909 50.4511 22.0946 176.7169 21 V 3.7555 8.5703 113.3441 64.2089 32.1866 176.3878 22 D 4.8000 7.6521 118.8502 52.0671 42.9794 175.9968 23 A 3.5330 8.5167 120.7345 54.9635 18.3831 179.6004 24 A 3.8263 7.8332 118.9407 55.4710 18.4801 179.9109 25 T 3.6144 8.2816 114.1838 66.5885 68.4481 176.7344 26 A 3.4185 7.4818 122.6290 54.9306 18.1913 179.2377 27 E 2.9874 8.0360 117.9280 59.0860 29.6580 179.2533 28 K 3.7297 7.5908 118.2958 59.2219 32.0032 179.4836 29 V 3.1131 7.2554 118.4079 65.9546 31.3046 178.1992 30 F 4.3929 7.7022 117.6300 60.3092 38.6396 177.7130 31 K 3.7379 8.1448 118.7179 59.6851 31.8273 179.0720 32 Q 3.9933 7.9318 119.5216 59.0573 29.0254 177.5853 33 Y 4.7483 8.3978 119.2954 60.4838 37.8651 178.3609 34 A 4.1076 8.5672 121.8046 55.3184 18.6115 179.0401 35 N 4.2775 8.4787 115.5831 57.1041 38.5182 176.4575 36 D 4.4631 8.6851 120.5390 57.4595 40.8153 178.2958 37 L 4.4295 7.8637 115.8691 54.2723 41.9435 177.3590 38 G 3.8600 7.9079 106.9802 46.2569 0.0000 173.3640 39 V 4.7199 7.8527 118.9851 60.1641 32.6167 174.6608 40 D 4.9655 8.1695 125.0796 52.8662 44.9233 175.4447 41 G 4.0636 7.9103 110.8311 46.3629 0.0000 172.3652 42 E 4.4105 8.3373 122.8250 55.8595 30.6915 176.0991 43 W 5.4511 9.0197 124.3198 55.3454 31.6058 175.3404 44 T 5.0128 9.0821 112.3958 60.4155 72.4711 171.9591 45 Y 5.0829 8.4532 122.0870 56.0511 42.9748 173.1142 46 D 4.6195 7.8956 125.8669 52.2177 42.6484 175.9592 47 D 3.8739 8.2049 126.2168 56.5097 41.6719 177.3520 48 A 4.0663 7.9467 121.9588 54.3897 18.3847 178.0416 49 T 4.3079 7.7894 102.8855 60.5520 69.8262 174.2881 50 K 4.1626 7.4118 120.1767 57.0625 30.5937 174.2973 51 T 5.2715 7.5906 113.6647 61.9841 71.5873 173.7039 52 F 5.6574 9.8375 125.8326 56.4456 41.6603 175.0495 53 T 5.1911 9.1705 111.6931 59.8692 72.3450 173.0395 54 V 4.2175 8.2819 122.6053 60.0174 34.5589 174.4129 55 T 4.8574 8.4141 120.6660 61.6576 72.4731 173.9240 56 E 4.2344 9.0477 125.3369 56.4800 29.7992 176.3557 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 M 8.16 4.51 0.00 1.75 2.06 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 Q 8.41 4.78 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 3 Y 9.51 5.19 0.00 3.21 3.47 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 4 K 9.55 5.26 0.00 1.93 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.53 7.81 5 L 8.74 4.96 0.00 0.27 0.74 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.66 4.68 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.87 0.00 0.00 7 L 8.77 4.76 0.00 1.55 1.49 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.18 4.95 0.00 2.65 2.59 0.00 0.00 6.48 8.43 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 9 G 8.52 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 0.00 0.00 0.00 0.00 10 K 9.41 4.32 0.00 1.71 1.87 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 11 T 7.73 4.56 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 12 L 7.34 4.62 0.00 1.82 1.74 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.02 5.00 0.00 1.58 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.38 7.81 14 G 8.59 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 0.00 0.00 0.00 15 V 8.30 4.93 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 0.87 0.00 0.00 0.92 0.00 0.00 16 L 9.16 5.15 0.00 1.75 1.75 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.73 5.67 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 1.33 0.00 0.00 18 I 8.96 4.85 1.83 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 1.00 0.00 0.00 19 E 8.81 5.06 0.00 2.03 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 2.27 2.41 0.00 20 A 9.11 4.75 1.01 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 21 V 8.57 3.76 2.10 0.00 0.00 0.00 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 0.90 0.00 0.00 22 D 7.65 4.80 0.00 2.93 2.78 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 23 A 8.52 3.53 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 3.83 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 25 T 8.28 3.61 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 1.06 0.00 0.00 26 A 7.48 3.42 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 2.99 0.00 2.02 1.90 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 2.00 2.08 0.00 28 K 7.59 3.73 0.00 1.80 1.65 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.44 7.81 29 V 7.26 3.11 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.62 0.00 0.00 30 F 7.70 4.39 0.00 2.72 2.88 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 0.00 0.00 0.00 31 K 8.14 3.74 0.00 1.69 1.63 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.80 1.13 7.81 32 Q 7.93 3.99 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 33 Y 8.40 4.75 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.11 1.72 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 0.00 0.00 35 N 8.48 4.28 0.00 3.00 3.17 0.00 0.00 7.27 8.01 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 36 D 8.69 4.46 0.00 3.02 2.78 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 37 L 7.86 4.43 0.00 1.82 1.73 0.94 0.88 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 38 G 7.91 3.86 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 0.00 0.00 0.00 39 V 7.85 4.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 40 D 8.17 4.97 0.00 2.73 2.55 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 0.00 41 G 7.91 4.06 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 0.00 42 E 8.34 4.41 0.00 1.92 1.92 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 2.35 2.30 0.00 43 W 9.02 5.45 0.00 3.22 3.29 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 0.00 44 T 9.08 5.01 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 1.27 0.00 0.00 45 Y 8.45 5.08 0.00 2.86 2.76 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 0.00 0.00 0.00 46 D 7.90 4.62 0.00 2.55 2.25 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 47 D 8.20 3.87 0.00 2.62 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 48 A 7.95 4.07 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 T 7.79 4.31 4.19 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 1.15 0.00 0.00 50 K 7.41 4.16 0.00 1.91 1.74 0.00 1.36 0.00 0.00 0.88 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.26 7.81 51 T 7.59 5.27 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 1.25 0.00 0.00 52 F 9.84 5.66 0.00 2.99 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 53 T 9.17 5.19 4.18 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 1.22 0.00 0.00 54 V 8.28 4.22 0.67 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 0.34 0.00 0.00 0.06 0.00 0.00 55 T 8.41 4.86 4.16 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 1.16 0.00 0.00 56 E 9.05 4.23 0.00 1.86 1.81 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 2.45 2.18 0.00