NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9722 8.2133 109.7399 44.9284 0.0000 173.9752 2 P 3.8375 0.0000 0.0000 64.6275 31.2783 175.2059 3 Y 4.7225 7.4123 115.0468 57.5334 39.5280 175.2165 4 H 4.4575 7.5477 115.0779 54.5905 29.2804 173.3952 5 P 4.5805 0.0000 0.0000 62.7875 32.0995 175.4960 6 S 4.7962 8.1569 114.2413 56.4193 65.6511 174.1047 7 E 4.2250 8.7482 124.0916 56.4799 29.8011 177.0879 8 C 4.9590 8.5676 120.5208 55.1235 43.6059 173.9455 9 C 4.6345 8.1201 119.7435 55.7599 41.3550 173.2129 10 F 4.4802 8.4868 120.9263 58.4332 40.9577 175.6585 11 T 4.3743 7.6459 116.3961 61.6747 70.1590 173.6331 12 Y 4.6783 8.0536 124.1663 57.1305 38.9810 175.4073 13 T 3.8731 8.3740 116.9471 63.2198 67.6783 173.9923 14 T 4.5756 8.4622 116.1440 61.4687 69.4723 173.7863 15 Y 4.7790 7.3232 119.3840 54.8936 41.0579 174.8055 16 K 2.7360 8.3038 123.2302 55.5286 32.4781 176.6774 17 I 4.0405 7.2881 127.9430 60.4337 37.7183 174.2471 18 P 4.2631 0.0000 0.0000 62.7277 32.0178 177.0809 19 R 3.3609 8.8402 123.4610 59.2925 29.9961 178.3669 20 Q 4.0635 7.8549 113.7882 58.3664 28.9323 177.1736 21 R 4.0484 7.9973 119.2188 58.0957 30.4528 175.6807 22 I 4.7639 7.4424 118.9766 60.6694 38.1287 175.1589 23 M 4.6057 8.9782 124.1812 56.4316 34.2640 174.9175 24 D 4.8647 8.0177 116.4500 54.1918 45.0210 173.1947 25 Y 5.4338 8.2468 117.6911 56.1533 40.9246 173.2429 26 Y 4.5900 8.2344 117.3109 55.4780 42.1841 173.1634 27 E 4.9699 8.7114 121.4067 55.0420 30.8338 175.8815 28 T 4.3394 8.5916 117.6167 61.1135 70.1681 173.9044 29 N 4.2030 8.9619 121.3187 54.2049 39.2102 175.9156 30 S 4.2219 8.7466 119.7538 61.1483 63.1295 175.6111 31 Q 4.1140 8.5958 119.8975 58.3433 28.6632 176.1983 32 C 4.4879 7.7928 115.3276 56.7521 40.6828 174.2442 33 S 4.0932 8.5905 116.5781 60.2116 63.0908 174.5552 34 K 4.6937 7.4577 118.6134 53.4956 35.0347 174.1026 35 P 4.5092 0.0000 0.0000 62.9531 32.1864 176.1052 36 G 4.2310 8.0898 104.9266 45.4513 0.0000 171.9861 37 I 4.6457 8.3085 124.7846 59.1523 40.0522 174.6592 38 V 4.2999 8.0000 128.0372 61.2867 32.9158 174.6234 39 F 5.2036 8.8162 127.4242 56.7918 41.0199 174.8384 40 I 5.0862 9.0105 124.4985 59.9491 39.1410 175.7601 41 T 4.8408 8.9945 118.3035 60.5161 70.3070 176.2036 42 K 3.9208 8.7444 121.8420 59.3666 32.1002 178.2316 43 R 4.2341 8.0837 116.5089 55.9619 29.9646 176.3560 44 G 3.9127 8.4082 104.1362 46.6283 0.0000 173.2168 45 H 4.7990 8.0588 116.7935 54.8266 30.4384 174.3965 46 S 5.2880 8.7309 118.1929 56.9554 64.9955 173.6838 47 V 4.4614 8.9307 124.3995 61.0507 34.2802 174.0078 48 C 5.0440 8.9329 126.2525 57.3433 41.2799 172.8840 49 T 5.0396 8.9553 112.6560 59.8934 72.8964 172.1816 50 N 4.1753 7.8533 120.8879 51.5676 39.3060 174.0781 51 P 4.0483 0.0000 0.0000 65.1140 31.6203 177.8806 52 S 4.1341 7.8788 111.8877 60.0725 63.4620 174.8607 53 D 4.3290 7.8148 123.3444 53.6043 41.4945 176.7598 54 K 3.7828 8.7452 124.7213 59.5495 32.1678 179.2044 55 W 4.0748 8.0479 116.1582 59.3317 27.9411 178.4067 56 V 2.8947 6.3643 118.4020 65.7352 31.0138 177.9017 57 Q 3.9101 7.6518 117.6500 58.9620 28.4749 178.5549 58 D 4.4204 8.4140 120.3129 57.5368 40.8484 178.4611 59 Y 4.2584 8.2413 117.2034 61.2100 37.6726 178.5445 60 I 3.3502 7.6106 119.3219 64.1864 37.2459 178.0197 61 K 4.0620 7.8326 118.9431 59.6604 32.1269 177.9137 62 D 4.4736 7.9244 116.9774 57.4866 41.1926 176.3706 63 M 4.4180 8.1064 122.7028 55.5838 32.2400 175.9676 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 G 8.21 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 2 P 0.00 3.84 0.00 1.45 1.72 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 3 Y 7.41 4.72 0.00 2.97 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 4 H 7.55 4.46 0.00 3.22 3.42 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.24 2.14 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 6 S 8.16 4.80 0.00 3.85 3.78 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 7 E 8.75 4.22 0.00 2.12 2.05 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 2.44 2.44 0.00 8 C 8.57 4.96 0.00 2.69 2.47 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 9 C 8.12 4.63 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.48 0.00 3.00 2.98 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 11 T 7.65 4.37 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 1.24 0.00 0.00 12 Y 8.05 4.68 0.00 3.02 2.81 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 0.00 0.00 0.00 13 T 8.37 3.87 4.13 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 1.37 0.00 0.00 14 T 8.46 4.58 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 15 Y 7.32 4.78 0.00 2.99 2.90 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 16 K 8.30 2.74 0.00 0.93 1.32 0.00 1.17 0.00 0.00 1.36 0.00 0.00 2.70 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.69 0.21 7.81 17 I 7.29 4.04 2.02 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.04 0.00 0.00 18 P 0.00 4.26 0.00 2.17 1.97 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 19 R 8.84 3.36 0.00 1.40 1.74 0.00 2.42 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 20 Q 7.85 4.06 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 21 R 8.00 4.05 0.00 1.99 2.06 0.00 3.18 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 22 I 7.44 4.76 1.88 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 1.11 0.00 0.00 23 M 8.98 4.61 0.00 1.87 2.16 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 2.58 2.72 0.00 24 D 8.02 4.86 0.00 2.83 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 25 Y 8.25 5.43 0.00 2.63 2.95 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 26 Y 8.23 4.59 0.00 2.91 2.85 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 0.00 0.00 0.00 0.00 27 E 8.71 4.97 0.00 2.07 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 2.25 2.39 0.00 28 T 8.59 4.34 4.36 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 1.26 0.00 0.00 29 N 8.96 4.20 0.00 2.75 2.77 0.00 0.00 6.76 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 30 S 8.75 4.22 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 4.11 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 32 C 7.79 4.49 0.00 2.98 2.90 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 33 S 8.59 4.09 0.00 4.04 4.09 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 34 K 7.46 4.69 0.00 1.69 1.75 0.00 1.61 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.36 7.81 35 P 0.00 4.51 0.00 2.01 1.95 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 36 G 8.09 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 0.00 0.00 0.00 37 I 8.31 4.65 1.45 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.79 0.06 0.00 0.00 38 V 8.00 4.30 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 0.74 0.00 0.00 0.64 0.00 0.00 39 F 8.82 5.20 0.00 3.18 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 40 I 9.01 5.09 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 1.01 0.00 0.00 41 T 8.99 4.84 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 1.36 0.00 0.00 42 K 8.74 3.92 0.00 1.81 1.95 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.64 7.81 43 R 8.08 4.23 0.00 1.81 2.04 0.00 3.37 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 44 G 8.41 3.91 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 0.00 0.00 0.00 45 H 8.06 4.80 0.00 3.23 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.73 5.29 0.00 3.83 3.84 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 0.00 0.00 0.00 0.00 47 V 8.93 4.46 2.28 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 1.02 0.00 0.00 1.10 0.00 0.00 48 C 8.93 5.04 0.00 3.11 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 49 T 8.96 5.04 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 1.55 0.00 0.00 50 N 7.85 4.18 0.00 1.51 2.36 0.00 0.00 6.89 7.71 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 51 P 0.00 4.05 0.00 1.94 1.96 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 52 S 7.88 4.13 0.00 3.90 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 53 D 7.81 4.33 0.00 2.28 2.14 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 54 K 8.75 3.78 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 55 W 8.05 4.07 0.00 3.16 3.13 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 56 V 6.36 2.89 1.66 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 0.73 0.00 0.00 -0.54 0.00 0.00 57 Q 7.65 3.91 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 58 D 8.41 4.42 0.00 2.93 2.85 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 0.00 0.00 0.00 0.00 59 Y 8.24 4.26 0.00 3.18 2.89 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 0.00 0.00 0.00 60 I 7.61 3.35 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.23 0.69 0.00 0.00 61 K 7.83 4.06 0.00 1.84 2.01 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 62 D 7.92 4.47 0.00 2.84 2.85 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 0.00 0.00 0.00 0.00 63 M 8.11 4.42 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.60 0.00