NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8607 8.3549 109.7342 45.2488 0.0000 173.4520 2 E 4.2472 8.4168 120.9652 54.6646 31.3073 170.4064 3 V 4.4924 8.4804 120.5330 61.0259 34.8557 174.9417 4 V 4.1688 8.2368 126.8019 61.5285 32.6541 175.0858 5 L 4.7079 8.8044 123.9164 53.3564 46.0121 174.8191 6 K 5.1332 8.6818 124.1528 54.7449 35.0093 174.8867 7 M 5.2298 9.1538 122.0430 53.4176 34.8826 174.5652 8 K 4.6309 9.0509 120.3042 54.9766 34.1159 176.5773 9 V 4.8691 7.9768 123.1450 61.5020 30.1448 174.2360 10 E 4.2015 8.0556 122.7889 56.5906 30.9362 175.9848 11 G 4.5008 8.9042 109.0314 46.4919 0.0000 175.0302 12 M 3.4757 7.9870 118.8790 58.2972 31.9053 177.7825 13 T 3.5309 7.9666 108.3712 62.3139 66.1431 170.9647 14 C 4.6127 7.4224 113.9208 58.0580 32.7794 175.0287 15 H 4.6270 8.2323 121.8710 54.8311 26.9160 176.0396 16 S 4.5802 7.4220 106.9423 59.5010 64.3679 174.2206 17 C 4.7627 7.7785 113.7905 58.6358 28.5708 171.8620 18 T 4.3983 6.8458 108.8355 62.0790 72.4140 176.6793 19 S 4.2240 8.0945 115.9077 60.2919 62.6947 176.3062 20 T 3.8732 8.0549 117.4828 67.1708 68.1971 176.0098 21 I 3.7140 7.6858 120.3461 64.8194 37.2845 177.8255 22 E 4.0249 8.7833 119.7290 59.2645 29.0591 179.2911 23 G 3.9729 8.3364 105.9362 48.0939 0.0000 174.8240 24 K 4.0470 8.3670 122.7928 59.3468 32.2485 178.9553 25 I 3.7861 8.4452 120.2599 64.1028 36.7414 178.4121 26 G 3.9187 8.2587 106.4611 47.5688 0.0000 174.9210 27 K 4.2618 7.9719 118.4350 56.3634 33.0615 177.3072 28 L 4.0469 7.7334 121.4065 54.0355 42.1363 176.1602 29 Q 4.1396 8.4935 124.1688 58.6190 29.2828 175.7008 30 G 4.0984 9.0345 114.0784 45.6898 0.0000 173.3250 31 V 4.3043 7.5600 119.5854 62.8871 32.2110 175.1455 32 Q 4.6317 9.0532 125.0653 57.0770 31.1966 175.7722 33 R 4.7596 7.6980 116.5398 55.0152 33.9439 173.5648 34 I 5.1382 8.1989 122.1192 59.3096 41.7864 174.6278 35 K 4.6468 9.3138 126.9604 54.9597 35.8699 175.1830 36 V 4.4211 9.4517 126.3101 61.3948 33.1746 175.8396 37 S 4.5332 8.8827 123.6693 55.8529 62.2660 173.7263 38 L 3.9026 8.4275 127.5193 57.7474 42.3394 178.5643 39 D 4.3650 8.2766 117.0785 57.8041 40.6770 177.6685 40 N 4.4110 7.7863 114.7382 54.0493 39.4214 175.1945 41 Q 3.6897 8.2520 115.7613 57.0304 27.0082 172.1349 42 E 5.2523 8.1291 117.1478 55.0292 33.7872 173.6508 43 A 5.1002 9.0049 123.9125 51.0025 23.6051 175.2939 44 T 4.9698 9.2122 116.1127 61.9253 71.9610 173.5016 45 I 5.1332 8.8576 127.0958 59.2980 41.3797 174.8636 46 V 4.8087 8.7360 124.1699 60.2355 34.1855 174.3509 47 Y 5.5808 8.6760 122.1868 56.8263 41.5806 172.9177 48 Q 5.0014 8.7271 116.2707 53.5353 31.9660 174.0949 49 P 5.0797 0.0000 0.0000 62.1906 29.3277 174.2157 50 H 4.8977 7.9350 120.5695 58.1066 35.4536 175.2483 51 L 4.2595 7.4596 117.0509 55.8403 41.8728 176.9435 52 I 4.5560 7.2954 117.5410 59.2041 40.8946 174.6056 53 S 4.3970 8.4090 119.7980 58.8677 62.9710 175.2948 54 V 3.7037 7.7659 124.3791 64.2506 30.8598 173.1314 55 E 4.1026 7.7767 118.7560 58.7152 29.5361 177.9141 56 E 3.8583 8.2219 118.4278 59.8872 29.0091 178.7674 57 M 3.7308 7.8292 117.4038 58.8179 32.1112 178.4671 58 K 3.8675 8.1474 118.1838 59.5090 32.2737 179.6113 59 K 4.0548 8.0421 118.1251 59.5095 31.6471 179.2175 60 Q 4.0082 8.1309 118.1101 58.9310 28.9005 178.5031 61 I 3.9119 7.2577 120.4844 64.3634 37.0867 178.0919 62 E 4.2587 8.7156 120.8159 58.9455 29.1560 179.3734 63 A 3.9699 8.2032 119.4117 55.4702 18.3725 179.2946 64 M 4.1955 7.9535 116.6887 57.7653 32.0067 176.1745 65 G 3.2274 7.4304 111.1314 45.4440 0.0000 174.1639 66 F 4.2474 7.8745 121.2181 55.6400 39.2355 172.8406 67 P 4.4652 0.0000 0.0000 63.0235 30.9152 175.4466 68 A 4.8028 8.1300 128.5210 51.8102 21.5635 174.8035 69 F 4.7088 8.5118 116.3263 57.7212 43.6391 174.1317 70 V 4.2956 7.1293 122.5380 60.7827 31.9287 175.0530 71 K 4.4082 9.0335 124.9581 57.6953 32.8552 177.1842 72 K 4.6435 8.2736 120.1505 55.2763 34.6850 173.6131 73 I 4.7515 7.7514 114.2094 59.3813 40.5608 174.1197 74 E 4.1146 8.9064 120.2602 56.0471 30.3373 176.4349 75 G 3.9488 8.0897 109.8566 46.3816 0.0000 173.0312 76 R 4.0919 8.2465 118.3727 56.8458 29.8975 174.1906 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 8.35 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 2 E 8.42 4.25 0.00 1.93 1.91 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 2.31 2.33 0.00 3 V 8.48 4.49 2.01 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 0.98 0.00 0.00 0.91 0.00 0.00 4 V 8.24 4.17 2.01 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 0.74 0.00 0.00 0.87 0.00 0.00 5 L 8.80 4.71 0.00 1.29 0.96 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.68 5.13 0.00 1.71 1.68 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.39 7.81 7 M 9.15 5.23 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 8 K 9.05 4.63 0.00 1.86 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.56 7.81 9 V 7.98 4.87 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 0.70 0.00 0.00 0.96 0.00 0.00 10 E 8.06 4.20 0.00 2.22 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 2.25 0.00 11 G 8.90 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.99 3.48 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 0.00 13 T 7.97 3.53 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 1.29 0.00 0.00 14 C 7.42 4.61 0.00 3.08 2.67 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 0.00 0.00 0.00 0.00 15 H 8.23 4.63 0.00 3.24 3.35 0.00 5.52 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.42 4.58 0.00 3.74 3.75 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 17 C 7.78 4.76 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 6.85 4.40 4.38 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 1.19 0.00 0.00 19 S 8.09 4.22 0.00 3.91 3.92 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 20 T 8.05 3.87 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 1.24 0.00 0.00 21 I 7.69 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.44 0.92 0.00 0.00 22 E 8.78 4.02 0.00 2.09 1.98 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 2.34 2.50 0.00 23 G 8.34 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 24 K 8.37 4.05 0.00 1.95 2.00 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 25 I 8.45 3.79 1.99 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 1.56 0.76 0.93 0.00 0.00 26 G 8.26 3.92 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 0.00 0.00 0.00 27 K 7.97 4.26 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 L 7.73 4.05 0.00 1.71 1.55 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.49 4.14 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.02 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 30 G 9.03 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 0.00 0.00 0.00 0.00 31 V 7.56 4.30 2.26 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 0.87 0.00 0.00 0.99 0.00 0.00 32 Q 9.05 4.63 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 33 R 7.70 4.76 0.00 1.89 1.70 0.00 3.18 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 34 I 8.20 5.14 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.96 0.00 0.00 35 K 9.31 4.65 0.00 1.69 1.65 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.41 7.81 36 V 9.45 4.42 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 0.65 0.00 0.00 0.94 0.00 0.00 37 S 8.88 4.53 0.00 3.89 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 38 L 8.43 3.90 0.00 1.66 1.65 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.28 4.37 0.00 2.67 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 40 N 7.79 4.41 0.00 2.63 2.83 0.00 0.00 7.40 7.32 0.00 0.00 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 Q 8.25 3.69 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 42 E 8.13 5.25 0.00 2.21 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 2.24 2.40 0.00 43 A 9.00 5.10 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 44 T 9.21 4.97 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 45 I 8.86 5.13 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 1.14 0.00 0.00 46 V 8.74 4.81 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 1.13 0.00 0.00 0.90 0.00 0.00 47 Y 8.68 5.58 0.00 3.06 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 48 Q 8.73 5.00 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.24 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 49 P 0.00 5.08 0.00 2.27 2.24 0.00 3.43 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 50 H 7.93 4.90 0.00 3.22 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.46 4.26 0.00 1.48 1.64 0.94 0.78 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 52 I 7.30 4.56 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.09 0.50 0.00 0.00 53 S 8.41 4.40 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.70 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 0.75 0.00 0.00 1.12 0.00 0.00 55 E 7.78 4.10 0.00 2.04 1.86 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 2.28 2.32 0.00 56 E 8.22 3.86 0.00 1.91 1.94 0.00 0.00 0.00 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 2.29 0.00 57 M 7.83 3.73 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 58 K 8.15 3.87 0.00 2.01 1.79 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 59 K 8.04 4.05 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.69 7.81 60 Q 8.13 4.01 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 61 I 7.26 3.91 2.06 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 1.56 0.60 0.99 0.00 0.00 62 E 8.72 4.26 0.00 2.19 2.03 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 2.45 2.36 0.00 63 A 8.20 3.97 1.37 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 0.00 0.00 64 M 7.95 4.20 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.98 0.00 65 G 7.43 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 0.00 0.00 0.00 66 F 7.87 4.25 0.00 3.17 3.21 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 67 P 0.00 4.47 0.00 2.25 2.15 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 68 A 8.13 4.80 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 69 F 8.51 4.71 0.00 3.15 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 70 V 7.13 4.30 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 0.34 0.00 0.00 0.94 0.00 0.00 71 K 9.03 4.41 0.00 1.90 1.93 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.53 7.81 72 K 8.27 4.64 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 73 I 7.75 4.75 1.89 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 1.41 0.62 0.94 0.00 0.00 74 E 8.91 4.11 0.00 1.97 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 0.00 2.36 2.43 0.00 75 G 8.09 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 0.00 0.00 0.00 76 R 8.25 4.09 0.00 1.72 1.73 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00