NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2525 8.1233 122.4538 51.5805 20.6097 176.0233 2 D 4.3567 8.6939 122.6054 54.1210 39.9739 175.2749 3 C 4.3380 8.6549 124.9933 59.1602 42.9699 174.7890 4 A 4.4903 7.2907 120.6413 50.9711 21.6261 174.8051 5 K 4.8722 9.5382 123.9128 54.5425 35.4800 176.4212 6 G 3.6580 6.8318 109.5660 44.5989 0.0000 172.7726 7 K 4.9682 7.9717 119.2945 53.8059 34.6122 175.6856 8 I 4.3233 8.0404 121.8155 60.7089 37.6355 176.1595 9 E 4.3603 9.0944 126.9918 59.2186 30.1321 177.0989 10 F 5.0212 7.3506 111.4323 56.1877 40.6601 173.2475 11 S 5.2333 9.0382 113.8016 56.6618 66.4663 173.1942 12 K 4.4276 8.6113 122.3371 54.8825 35.6604 174.3983 13 Y 4.5083 8.6532 129.2564 57.2533 39.8499 174.5587 14 N 4.7150 8.9922 125.2828 52.3017 39.6995 175.7904 15 E 3.9481 8.8630 122.0635 59.4399 29.5519 177.3462 16 D 4.7160 7.8712 115.7281 53.3404 39.8358 175.9491 17 D 4.0049 8.0805 115.8006 54.9541 39.4660 173.7727 18 T 4.7029 7.5536 110.5612 60.7459 71.6961 173.0401 19 F 5.2287 9.3834 123.3433 56.7999 42.4886 173.4444 20 T 5.4045 8.7321 122.9393 62.1916 70.9914 174.0255 21 V 4.8708 9.2509 118.4873 59.3430 36.0510 174.3413 22 K 4.7556 8.1161 123.1621 54.5943 34.9417 175.1400 23 V 4.5549 8.6843 126.5350 62.1219 35.0173 174.5134 24 D 4.2728 9.5582 127.0994 55.8007 39.1942 173.2815 25 G 4.0318 8.4128 103.0819 46.1452 0.0000 172.1560 26 K 4.5601 8.0639 117.9546 54.1876 36.2069 174.9803 27 E 4.8412 8.2399 122.9904 55.2063 31.4727 174.7999 28 Y 5.4205 9.4150 121.9258 55.8865 42.2349 174.5447 29 W 5.5696 8.5939 119.3059 55.2340 31.5570 174.4361 30 T 4.8006 9.2786 116.1776 60.4488 69.8729 174.4355 31 S 4.6977 8.9701 120.7247 58.5586 64.1312 174.9922 32 R 4.1245 8.0355 121.6022 55.9553 28.4832 176.8267 33 W 4.6103 8.9209 123.7595 60.2223 28.9592 177.5035 34 N 4.2979 8.5009 114.2712 56.6254 38.2657 176.4204 35 L 4.3450 8.4997 118.9718 56.2009 41.8075 178.9207 36 Q 3.0768 7.8856 119.4114 58.1750 28.6587 176.7923 37 P 4.1616 0.0000 0.0000 65.8762 31.2308 178.0497 38 L 3.8041 7.8090 118.3017 57.7318 41.6089 179.0064 39 L 4.3564 8.7130 118.9672 58.1821 41.7212 179.6217 40 L 4.1865 8.3622 120.4346 58.1955 41.9904 179.2875 41 S 4.1370 8.3275 115.0369 61.5674 62.8270 176.3917 42 A 4.1094 8.1386 123.5009 55.1368 18.0747 179.6224 43 Q 3.9395 8.2626 118.0673 59.5348 29.0607 178.1100 44 L 4.1107 7.8788 118.8050 57.3489 41.7010 178.7426 45 T 4.5436 7.9288 106.4715 60.1125 69.4699 174.3370 46 G 4.0265 8.1382 108.8151 46.9960 0.0000 174.2443 47 M 4.3155 7.9513 117.6897 55.3534 33.8956 176.7350 48 T 4.5179 8.2553 117.7229 63.4309 69.6392 174.2838 49 V 4.7309 8.9376 120.6664 59.9434 34.9288 175.3182 50 T 4.6386 8.3217 120.7126 61.7751 70.8326 173.7090 51 I 3.9449 8.1243 128.2542 60.7199 37.1335 175.5222 52 K 4.8369 8.4191 124.5309 54.9807 36.1292 175.3129 53 S 4.7185 8.2245 117.4804 57.8801 65.6030 175.3273 54 S 4.2729 8.8192 116.2622 59.9062 63.2482 174.2922 55 T 4.4811 7.5667 110.3075 60.3799 70.3244 173.8235 56 C 4.7568 8.7950 122.8984 56.5578 39.9130 173.8425 57 E 4.3010 7.8563 120.3139 55.7856 29.8112 175.9841 58 S 3.8819 8.3222 115.7997 59.2999 62.8432 174.0820 59 G 3.9825 9.0116 116.5858 46.6429 0.0000 173.4870 60 S 4.6741 7.5599 114.4060 57.2113 64.5563 174.3745 61 G 2.2957 8.1032 109.8999 45.6754 0.0000 172.7375 62 F 4.9868 7.8237 115.6647 55.0396 41.1733 174.2521 63 A 4.5258 8.1595 119.4213 51.7105 20.4477 175.5074 64 E 4.9699 8.3854 118.8290 56.2886 33.1469 174.2682 65 V 4.7434 8.2730 124.3371 60.5574 34.5577 172.7053 66 Q 4.4982 8.8922 124.6359 54.5247 31.0944 174.0142 67 F 4.9610 8.9064 125.3338 56.3052 40.0488 174.9196 68 N 5.0568 9.4465 121.4926 51.4633 41.9554 175.1194 69 N 4.9331 8.5345 115.7699 53.1198 39.0776 175.2503 70 D 4.6107 8.2404 124.1242 55.0546 40.8962 176.7360 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 A 8.12 4.25 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 2 D 8.69 4.36 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.65 4.34 0.00 2.37 2.92 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 0.00 0.00 0.00 4 A 7.29 4.49 1.21 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 5 K 9.54 4.87 0.00 1.62 1.61 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 6 G 6.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.97 0.00 1.74 1.73 0.00 1.86 0.00 0.00 2.54 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.34 7.81 8 I 8.04 4.32 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.99 0.00 0.00 9 E 9.09 4.36 0.00 1.70 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 2.22 0.00 10 F 7.35 5.02 0.00 2.98 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 11 S 9.04 5.23 0.00 3.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.43 0.00 1.88 1.65 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.35 7.81 13 Y 8.65 4.51 0.00 3.29 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.99 4.72 0.00 2.77 2.59 0.00 0.00 6.17 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 15 E 8.86 3.95 0.00 1.90 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 2.31 2.36 0.00 16 D 7.87 4.72 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.08 4.00 0.00 3.25 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 18 T 7.55 4.70 4.63 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 1.22 0.00 0.00 19 F 9.38 5.23 0.00 3.15 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 20 T 8.73 5.40 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 1.33 0.00 0.00 21 V 9.25 4.87 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 1.01 0.00 0.00 1.06 0.00 0.00 22 K 8.12 4.76 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.36 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.14 7.81 23 V 8.68 4.55 2.04 0.00 0.00 0.00 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 0.86 0.00 0.00 24 D 9.56 4.27 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.06 4.56 0.00 1.67 1.39 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.55 7.81 27 E 8.24 4.84 0.00 1.82 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 2.13 2.21 0.00 28 Y 9.42 5.42 0.00 2.80 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 29 W 8.59 5.57 0.00 3.44 3.23 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 30 T 9.28 4.80 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 31 S 8.97 4.70 0.00 4.07 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 0.00 32 R 8.04 4.12 0.00 1.85 1.98 0.00 3.29 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 33 W 8.92 4.61 0.00 3.40 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 34 N 8.50 4.30 0.00 2.72 2.97 0.00 0.00 6.93 7.85 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 35 L 8.50 4.35 0.00 1.89 1.82 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.89 3.08 0.00 1.87 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 1.68 2.36 0.00 37 P 0.00 4.16 0.00 2.20 2.25 0.00 3.72 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 2.01 2.01 0.00 38 L 7.81 3.80 0.00 1.97 1.52 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.71 4.36 0.00 1.98 2.12 1.44 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.36 4.19 0.00 1.89 1.80 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.33 4.14 0.00 4.13 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 42 A 8.14 4.11 1.65 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 0.00 0.00 43 Q 8.26 3.94 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 44 L 7.88 4.11 0.00 1.89 1.77 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.93 4.54 4.26 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 1.28 0.00 0.00 46 G 8.14 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.95 4.32 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 48 T 8.26 4.52 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 1.23 0.00 0.00 49 V 8.94 4.73 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 0.65 0.00 0.00 0.85 0.00 0.00 50 T 8.32 4.64 4.10 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 0.00 0.00 1.09 0.00 0.00 51 I 8.12 3.94 1.16 0.00 0.00 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 0.82 1.04 -0.45 0.00 0.00 52 K 8.42 4.84 0.00 1.55 1.54 0.00 1.79 0.00 0.00 1.50 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.20 7.81 53 S 8.22 4.72 0.00 3.75 3.58 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 54 S 8.82 4.27 0.00 4.00 3.95 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 0.00 0.00 0.00 55 T 7.57 4.48 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 1.22 0.00 0.00 56 C 8.79 4.76 0.00 2.99 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 57 E 7.86 4.30 0.00 2.11 1.89 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 2.42 2.38 0.00 58 S 8.32 3.88 0.00 3.71 3.68 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 0.00 0.00 0.00 0.00 59 G 9.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.67 0.00 4.18 3.83 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 61 G 8.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.82 4.99 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.16 4.53 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 64 E 8.39 4.97 0.00 2.03 1.74 0.00 0.00 0.00 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 2.32 0.00 65 V 8.27 4.74 1.84 0.00 0.00 0.00 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 0.19 0.00 0.00 66 Q 8.89 4.50 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 67 F 8.91 4.96 0.00 2.97 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 68 N 9.45 5.06 0.00 2.81 2.84 0.00 0.00 6.48 6.85 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 69 N 8.53 4.93 0.00 2.72 2.84 0.00 0.00 6.91 8.06 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 70 D 8.24 4.61 0.00 2.66 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