NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4439 8.2931 120.3235 55.6335 33.5632 176.3914 2 G 3.8993 7.8538 111.2605 47.4695 0.0000 173.2285 3 T 4.4043 8.2568 116.6954 59.0780 69.0296 171.2590 4 G 3.7558 8.1349 116.2948 43.9456 0.0000 171.2686 5 K 4.2537 8.2272 123.4963 55.6696 33.2321 176.3647 6 E 4.2597 8.4005 119.5858 56.7180 30.8591 176.0262 7 L 5.2366 8.3883 120.4785 53.3546 45.1918 175.8924 8 V 4.9527 8.8442 113.6632 59.6673 36.4360 174.1664 9 L 5.0668 8.8204 125.2528 53.3424 44.0457 175.4025 10 A 4.4304 9.1926 129.2112 52.2286 18.7754 177.9727 11 L 3.9821 8.8773 123.1171 56.2588 42.6071 176.5898 12 Y 4.8728 7.5772 113.8486 55.8685 42.1665 174.9533 13 D 4.8123 8.7952 120.9341 55.0503 42.0864 175.5461 14 Y 4.7705 9.0886 122.6475 56.4457 42.5130 173.1470 15 Q 4.7281 8.0011 128.2840 53.8485 30.5549 174.9660 16 E 4.1424 8.6239 124.8852 57.0621 29.8666 177.0007 17 K 4.5540 9.0552 119.7408 56.0470 33.6417 175.6308 18 S 4.6282 7.6016 112.6605 56.4482 65.4566 173.4531 19 P 4.2098 0.0000 0.0000 65.4989 31.1483 177.7017 20 R 4.4076 7.8281 115.0932 56.3110 30.4144 175.6938 21 E 5.7651 8.2461 118.4353 54.3764 31.7257 175.3994 22 V 4.6993 8.2643 118.7137 60.5689 34.6428 175.1587 23 T 4.9426 8.6141 118.8908 63.4026 69.6745 173.9896 24 M 4.9860 9.2359 121.5607 53.6982 35.3534 173.6119 25 K 4.9573 9.3239 121.7731 54.1122 35.1098 175.5251 26 K 3.9831 9.6337 128.3846 58.5394 32.3125 176.9736 27 G 4.0162 8.9901 115.5170 45.0248 0.0000 173.4505 28 D 4.5357 8.2238 120.2024 54.6459 42.2201 175.6266 29 I 4.8574 8.3203 122.4952 59.9431 38.7444 174.9716 30 L 4.9302 8.8978 127.7791 53.2311 44.8092 175.9259 31 T 4.5411 8.3387 118.7020 62.8133 70.0639 173.7693 32 L 4.4464 8.7238 129.6458 54.7635 42.0036 176.0042 33 L 4.3799 8.7730 127.3251 56.6643 43.1616 177.2975 34 N 4.7497 7.6658 117.1516 52.1985 42.3027 174.9977 35 S 4.4197 8.2452 122.1306 57.9288 63.5189 175.4372 36 T 3.9981 8.4825 114.0978 64.7939 68.8924 174.0384 37 N 4.8669 8.1418 120.3894 52.2939 39.9671 174.7222 38 K 4.4586 8.6992 122.8854 58.3475 33.7025 176.9753 39 D 4.4859 8.8051 119.7019 54.7433 43.1317 176.4990 40 W 5.2489 8.3319 117.0346 54.7323 32.5348 174.9217 41 W 5.4380 9.3126 124.9566 54.9670 31.8512 174.8254 42 K 4.4486 9.0220 125.1792 55.2763 33.1871 175.8495 43 V 4.9955 9.0392 119.8298 59.5838 36.7523 173.7987 44 E 4.9214 9.1270 123.3026 54.6074 31.8543 174.7317 45 V 3.9581 9.2341 128.2953 63.0836 33.2777 177.1929 46 N 4.2197 9.3857 130.1690 54.5936 38.3115 174.2232 47 D 4.9629 9.4112 109.9445 53.7813 42.7498 175.4023 48 R 4.8658 8.3462 119.0250 54.5024 33.6202 174.8390 49 Q 5.0022 8.7205 119.0962 54.0169 32.9208 175.0870 50 G 3.9294 8.0210 107.5765 46.6249 0.0000 171.4633 51 F 5.3073 8.4936 118.4493 56.9257 40.7128 176.0412 52 V 4.8859 8.9312 114.2095 58.7103 36.6339 173.4160 53 P 3.1864 0.0000 0.0000 61.9884 31.7066 177.6949 54 A 2.7698 7.8199 126.4112 54.6720 18.1833 179.3621 55 A 3.9031 7.0355 116.8781 54.5123 18.6701 177.5112 56 Y 4.9139 7.5952 112.8381 58.4761 38.4331 175.2173 57 V 5.0461 7.3457 112.0469 59.2879 36.0775 174.8856 58 K 4.6519 8.8191 123.2449 54.2613 34.9257 175.6167 59 K 4.2963 9.1064 127.1363 57.0848 32.7700 177.3020 60 L 4.5603 8.6900 126.0009 53.4714 41.1143 176.7107 61 D 4.2215 8.1149 122.0493 53.5277 39.1135 175.7739 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 8.29 4.44 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 G 7.85 3.90 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 0.00 3 T 8.26 4.40 4.23 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 1.20 0.00 0.00 4 G 8.13 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 0.00 0.00 0.00 5 K 8.23 4.25 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 6 E 8.40 4.26 0.00 1.85 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 2.36 2.30 0.00 7 L 8.39 5.24 0.00 1.58 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.84 4.95 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 0.89 0.00 0.00 1.10 0.00 0.00 9 L 8.82 5.07 0.00 1.74 1.53 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.19 4.43 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 11 L 8.88 3.98 0.00 1.40 0.99 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.58 4.87 0.00 2.65 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 13 D 8.80 4.81 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.09 4.77 0.00 3.25 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 15 Q 8.00 4.73 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 16 E 8.62 4.14 0.00 2.20 2.07 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 2.35 2.35 0.00 17 K 9.06 4.55 0.00 1.99 1.88 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.45 7.81 18 S 7.60 4.63 0.00 3.91 3.88 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 19 P 0.00 4.21 0.00 2.06 2.18 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 R 7.83 4.41 0.00 1.81 2.15 0.00 3.36 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 21 E 8.25 5.77 0.00 2.14 2.29 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 2.41 2.10 0.00 22 V 8.26 4.70 2.21 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 0.87 0.00 0.00 0.99 0.00 0.00 23 T 8.61 4.94 4.29 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 1.30 0.00 0.00 24 M 9.24 4.99 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 25 K 9.32 4.96 0.00 1.84 1.99 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.55 7.81 26 K 9.63 3.98 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 27 G 8.99 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 28 D 8.22 4.54 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 29 I 8.32 4.86 1.88 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 1.35 0.85 0.92 0.00 0.00 30 L 8.90 4.93 0.00 1.61 1.73 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.34 4.54 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 1.19 0.00 0.00 32 L 8.72 4.45 0.00 1.58 1.59 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.77 4.38 0.00 1.57 1.63 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.67 4.75 0.00 2.71 2.62 0.00 0.00 6.71 7.63 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 35 S 8.25 4.42 0.00 2.72 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 36 T 8.48 4.00 4.28 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 1.24 0.00 0.00 37 N 8.14 4.87 0.00 2.86 3.28 0.00 0.00 6.99 6.68 0.00 0.00 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 K 8.70 4.46 0.00 1.96 1.99 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 39 D 8.81 4.49 0.00 2.84 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 40 W 8.33 5.25 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.31 5.44 0.00 3.29 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 42 K 9.02 4.45 0.00 0.99 1.41 0.00 1.25 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.02 0.50 7.81 43 V 9.04 5.00 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 0.76 0.00 0.00 0.99 0.00 0.00 44 E 9.13 4.92 0.00 1.98 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 2.37 2.34 0.00 45 V 9.23 3.96 2.12 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 1.00 0.00 0.00 1.04 0.00 0.00 46 N 9.39 4.22 0.00 2.87 2.53 0.00 0.00 7.04 8.47 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 47 D 9.41 4.96 0.00 2.67 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 R 8.35 4.87 0.00 1.71 1.81 0.00 3.09 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 49 Q 8.72 5.00 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 50 G 8.02 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 51 F 8.49 5.31 0.00 3.11 3.37 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 52 V 8.93 4.89 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 0.93 0.00 0.00 0.95 0.00 0.00 53 P 0.00 3.19 0.00 0.49 0.49 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.51 0.00 54 A 7.82 2.77 -0.14 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 0.00 0.00 55 A 7.04 3.90 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 56 Y 7.60 4.91 0.00 2.88 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 57 V 7.35 5.05 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 0.71 0.00 0.00 1.01 0.00 0.00 58 K 8.82 4.65 0.00 1.79 1.63 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 59 K 9.11 4.30 0.00 1.77 1.78 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.34 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.48 1.73 7.81 60 L 8.69 4.56 0.00 1.63 1.65 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.11 4.22 0.00 2.72 2.56 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