NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3266 8.0333 115.2446 61.4156 69.1878 175.3065 12 D 4.1987 8.0548 121.8576 57.1767 40.5202 176.7538 13 A 3.9131 8.8614 122.5084 55.5210 18.7720 179.2669 14 T 3.8686 8.1831 114.5197 66.8014 68.4534 177.0209 15 I 3.7280 7.5775 121.1640 64.2265 37.1957 178.1265 16 K 3.8810 8.7485 119.9182 59.7736 31.9727 179.3244 17 K 4.0172 8.4654 118.7012 59.7562 31.9096 179.3214 18 E 3.9619 8.3253 118.7413 59.3098 29.2779 179.3617 19 Q 3.9498 8.4218 118.5422 58.9196 28.8384 178.8215 20 K 3.8324 8.2997 119.7806 59.5789 32.1202 179.0409 21 L 3.8657 7.7917 120.3095 58.0282 41.7988 179.1644 22 I 3.8723 7.7187 121.2186 63.9083 37.0067 178.1796 23 Q 3.9487 8.7517 119.2966 59.0808 28.5173 179.0511 24 A 3.9505 8.3895 121.7712 55.2886 18.2164 179.6588 25 Q 3.9114 8.1237 116.4223 59.1303 28.7828 178.8287 26 N 4.3935 8.3656 117.5704 56.5160 38.5972 177.5032 27 L 4.0458 8.1429 120.4720 57.7982 41.5898 179.9015 28 V 3.7132 8.1533 118.5764 65.8874 31.5794 178.1017 29 R 4.1509 8.1638 119.9376 58.8657 29.9117 177.9707 30 E 3.9654 8.7866 119.4806 59.2776 29.5263 178.5559 31 F 4.4780 8.5726 120.9068 61.6635 39.0682 176.9444 32 E 3.7185 8.4581 118.0560 59.1448 28.8780 179.5117 33 K 4.0262 7.6253 117.9325 59.5345 32.4149 179.0320 34 T 4.0870 8.1612 109.2098 62.4292 69.6939 174.2863 35 H 3.9010 8.6812 118.0693 57.2531 26.8621 174.1708 36 T 5.1401 7.7708 107.9287 59.8128 72.6921 174.1360 37 V 3.6004 8.2711 121.3908 66.1560 31.6650 178.2087 38 S 4.0182 8.1061 112.1592 61.5294 62.3170 175.9606 39 A 3.9991 8.0204 123.3355 55.0877 18.0841 179.0392 40 H 2.5800 8.1174 117.0667 58.9319 29.9380 177.5012 41 R 3.6589 7.7907 119.7668 59.2697 29.8369 179.2524 42 K 3.8824 7.7714 117.3508 59.2356 31.9779 179.2630 43 A 3.8898 7.7688 120.9399 55.2054 18.3288 179.4106 44 Q 3.7903 8.1606 118.3928 59.2028 28.8673 178.5119 45 K 3.8572 7.7979 119.1920 59.1962 32.5060 178.1783 46 A 4.0844 8.1002 121.3666 55.4266 18.2874 179.5936 47 V 3.4608 7.9326 116.2727 66.2962 31.3094 178.0331 48 A 3.9403 7.6455 119.1414 54.8505 18.2435 178.8298 49 L 4.1960 7.6727 115.3748 54.7374 42.2040 177.4306 50 V 3.7168 7.1516 120.3714 62.1132 32.1274 175.7372 51 S 4.1743 8.7491 121.4997 58.3480 62.9578 174.9710 52 F 4.1319 8.7272 123.6541 60.3022 38.9686 177.3608 53 E 3.9064 7.8152 119.3643 59.1386 29.4302 177.8648 54 Y 4.8789 7.7560 116.4292 57.2021 39.3971 177.9840 55 K 3.9217 8.3035 123.2009 60.5683 32.3392 177.9727 56 V 3.5709 7.7538 118.5397 65.7218 31.6040 177.8861 57 K 4.0055 8.0879 118.6505 58.9089 31.9911 178.5392 58 K 3.8762 8.5889 120.8453 59.6928 32.0415 178.7088 59 M 4.0566 8.1196 119.0063 58.3931 31.9432 178.9070 60 V 3.5933 7.9408 118.4983 66.0113 31.7915 178.1273 61 L 4.0272 8.6632 119.4897 57.7211 41.3897 179.2756 62 Q 3.9815 8.4194 119.9156 59.1141 28.9826 177.7709 63 E 3.9822 8.4631 120.5707 59.4122 29.7647 179.0596 64 R 3.9456 8.0248 118.0315 59.0887 30.0648 179.1662 65 I 3.9543 7.6861 119.3873 64.7222 37.3020 178.0894 66 D 4.4503 8.5274 120.0822 57.6856 40.3838 178.8585 67 N 4.3862 8.1975 116.2120 56.0643 38.7890 177.3738 68 V 3.4608 7.6170 119.4089 65.8340 31.5309 178.1503 69 L 4.0231 7.9273 118.7840 57.6800 41.2230 179.6113 70 K 4.0380 7.7029 117.3740 59.2424 31.9773 178.8716 71 Q 4.1441 7.5461 117.1908 55.9250 29.1460 176.9378 72 G 4.0177 7.2811 106.5046 45.1939 0.0000 173.1017 73 L 4.8495 8.0388 120.5440 53.4320 43.8698 177.6235 74 V 4.2995 8.2778 115.3925 59.6080 32.5316 176.9296 75 R 4.2928 8.1605 121.7822 56.1764 29.0664 176.8028 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 11 T 8.03 4.33 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 12 D 8.05 4.20 0.00 2.81 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 13 A 8.86 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.87 4.44 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 1.25 0.00 0.00 15 I 7.58 3.73 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.92 0.00 0.00 16 K 8.75 3.88 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 17 K 8.47 4.02 0.00 1.94 2.10 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.71 7.81 18 E 8.33 3.96 0.00 2.20 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 2.47 2.82 0.00 19 Q 8.42 3.95 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 20 K 8.30 3.83 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.62 7.81 21 L 7.79 3.87 0.00 1.44 1.60 0.70 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.72 3.87 1.96 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 1.73 1.19 0.92 0.00 0.00 23 Q 8.75 3.95 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 24 A 8.39 3.95 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 25 Q 8.12 3.91 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 26 N 8.37 4.39 0.00 2.88 2.86 0.00 0.00 7.08 7.37 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 27 L 8.14 4.05 0.00 1.71 1.71 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.15 3.71 2.30 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 1.13 0.00 0.00 0.98 0.00 0.00 29 R 8.16 4.15 0.00 2.04 2.13 0.00 3.20 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 30 E 8.79 3.97 0.00 2.22 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 0.00 2.33 2.50 0.00 31 F 8.57 4.48 0.00 3.14 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.72 0.00 2.18 1.95 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 2.25 2.62 0.00 33 K 7.63 4.03 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.79 7.81 34 T 8.16 4.09 4.30 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 1.27 0.00 0.00 35 H 8.68 3.90 0.00 3.32 3.37 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 36 T 7.77 5.14 4.30 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 1.27 0.00 0.00 37 V 8.27 3.60 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 1.01 0.00 0.00 38 S 8.11 4.02 0.00 3.93 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 39 A 8.02 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.12 2.58 0.00 2.80 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.79 3.66 0.00 1.94 1.87 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 42 K 7.77 3.88 0.00 1.76 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.61 7.81 43 A 7.77 3.89 1.24 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 0.00 0.00 0.00 44 Q 8.16 3.79 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 45 K 7.80 3.86 0.00 1.74 1.75 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 46 A 8.10 4.08 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 47 V 7.93 3.46 2.19 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 0.98 0.00 0.00 0.97 0.00 0.00 48 A 7.65 3.94 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 49 L 7.67 4.20 0.00 1.78 1.70 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.15 3.72 2.13 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 0.80 0.00 0.00 0.93 0.00 0.00 51 S 8.75 4.17 0.00 3.94 3.76 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 52 F 8.73 4.13 0.00 3.17 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 53 E 7.82 3.91 0.00 1.57 1.20 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 2.17 2.19 0.00 54 Y 7.76 4.88 0.00 2.99 2.87 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 55 K 8.30 3.92 0.00 2.02 2.39 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 56 V 7.75 3.57 2.13 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 1.13 0.00 0.00 0.97 0.00 0.00 57 K 8.09 4.01 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.52 7.81 58 K 8.59 3.88 0.00 1.97 1.99 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.44 7.81 59 M 8.12 4.06 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.57 0.00 60 V 7.94 3.59 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 1.04 0.00 0.00 1.03 0.00 0.00 61 L 8.66 4.03 0.00 1.89 1.70 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.42 3.98 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 63 E 8.46 3.98 0.00 2.21 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 0.00 2.31 2.41 0.00 64 R 8.02 3.95 0.00 2.15 2.11 0.00 3.18 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 65 I 7.69 3.95 2.14 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 1.08 0.00 0.00 66 D 8.53 4.45 0.00 2.82 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 67 N 8.20 4.39 0.00 2.79 2.85 0.00 0.00 6.99 7.19 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 68 V 7.62 3.46 1.71 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 -0.34 0.00 0.00 0.64 0.00 0.00 69 L 7.93 4.02 0.00 1.93 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.70 4.04 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.78 7.81 71 Q 7.55 4.14 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.59 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 72 G 7.28 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.85 0.00 1.68 1.67 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.28 4.30 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 0.67 0.00 0.00 1.00 0.00 0.00 75 R 8.16 4.29 0.00 1.87 2.08 0.00 3.28 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00