NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9036 8.3544 109.7374 44.7670 0.0000 173.2566 2 S 3.9405 8.5548 114.4266 58.2837 62.6700 172.0615 3 S 4.6279 8.7123 123.0563 57.7058 65.5533 174.7138 4 G 4.1431 8.8272 110.7639 45.6344 0.0000 172.6713 5 S 4.6912 8.0711 111.4714 56.8163 63.3060 174.4251 6 S 4.0655 8.4662 116.4474 60.2691 62.5115 172.9751 7 G 3.6149 8.1029 111.7503 47.1671 0.0000 172.9706 8 M 3.0003 8.1495 116.9243 55.9236 30.2113 175.7183 9 A 4.7632 7.6265 117.2102 49.7316 23.0121 176.4157 10 S 4.3666 8.2870 113.9835 58.1444 63.9317 173.8267 11 K 4.8311 8.4193 123.7424 56.2943 33.5759 175.4608 12 C 5.0385 8.8324 121.5916 56.1438 33.1496 172.5699 13 P 4.2935 0.0000 0.0000 63.5515 30.9694 176.0497 14 K 4.4264 7.9632 119.1170 58.1763 33.4623 176.7148 15 C 4.6788 7.9425 109.4217 56.9862 30.2900 173.3096 16 D 4.3710 7.9859 118.1481 56.0202 39.7934 172.5752 17 K 4.7307 7.3730 117.4317 54.6182 36.9445 177.5562 18 T 4.5294 8.5430 118.4091 62.9709 68.1252 174.4958 19 V 3.7706 8.2306 127.2860 63.1678 32.1996 175.5154 20 Y 4.3085 9.0032 125.8715 57.4762 38.6320 176.4983 21 F 4.0911 8.9687 125.5096 61.2481 39.8512 176.4431 22 A 4.1660 8.4903 122.5700 54.9593 18.2857 177.8871 23 E 4.5316 8.0676 111.5387 55.8724 29.8948 175.7335 24 K 4.2351 7.8242 122.3058 56.4316 32.8956 176.6034 25 V 4.5003 8.1558 126.7957 59.6929 34.1115 174.8590 26 S 4.9361 8.7838 121.3343 57.9215 63.9866 173.7929 27 S 4.5130 9.5654 118.1816 58.3493 65.4423 173.6596 28 L 3.8140 9.6776 125.7449 55.5972 39.3131 174.2366 29 G 3.8473 8.8567 102.1245 46.0205 0.0000 173.4194 30 K 4.5225 8.2999 118.7766 55.2678 37.1048 173.9283 31 D 5.3998 8.3002 121.6311 52.6158 42.8464 175.7839 32 W 5.2009 8.8309 123.8578 55.1787 33.2116 174.2206 33 H 5.1941 8.7650 116.2418 54.0777 30.3679 176.0700 34 K 3.8472 8.8538 122.3312 58.8841 32.0515 177.7301 35 F 4.5477 8.1145 115.4647 58.4551 40.0554 176.6714 36 C 4.3659 8.2645 117.4911 61.6393 28.1042 174.2124 37 L 4.1662 7.6732 123.4942 53.8912 40.2252 176.4839 38 K 4.6166 7.2425 117.4071 54.4870 36.3289 176.5306 39 C 3.7498 8.5746 123.7880 60.0214 31.8756 173.6115 40 E 4.4009 8.5588 123.9266 56.8265 30.3338 176.9964 41 R 4.3279 8.2849 118.1094 58.6958 30.7124 176.8266 42 C 4.2611 8.1212 110.6933 58.4142 30.7999 173.3654 43 S 4.4771 8.0438 113.8377 59.0667 59.5488 171.5955 44 K 4.5617 7.5958 118.8443 54.1383 35.0519 174.9973 45 T 3.7839 8.4716 120.7864 64.6941 68.7694 173.4617 46 L 4.6148 7.7616 126.7236 53.5102 44.5509 175.6329 47 T 4.6365 8.0109 115.9205 60.9855 71.0884 172.7200 48 P 4.1320 0.0000 0.0000 65.6826 31.2218 176.5623 49 G 4.0089 9.0665 115.3302 45.3984 0.0000 172.6622 50 G 4.4370 7.3540 103.0326 44.5358 0.0000 172.4311 51 H 4.7456 7.5931 112.1507 54.1399 32.3247 173.6895 52 A 4.6281 8.1962 120.7579 50.8788 20.9411 176.0007 53 E 5.2838 8.4623 115.8643 55.3075 32.7576 175.1871 54 H 4.8823 9.9712 122.3733 56.5484 31.9709 172.7118 55 D 4.4378 9.5816 126.1368 55.1183 39.1555 173.8884 56 G 4.2404 8.8255 107.3220 44.6395 0.0000 174.5671 57 K 4.3948 7.7039 118.7667 54.3763 33.1191 174.6562 58 P 4.7374 0.0000 0.0000 63.1806 32.1545 175.8094 59 F 4.8321 9.1366 117.8530 56.6139 44.0798 173.7122 60 C 3.8437 9.1305 121.4200 60.4325 28.7195 174.6422 61 H 3.9512 8.9920 118.5970 57.8484 28.4385 175.5531 62 K 4.6358 7.3136 114.4804 54.6548 34.1011 173.4442 63 P 4.4708 0.0000 0.0000 66.1554 30.9091 177.7197 64 C 3.3754 8.0695 112.9868 63.2467 28.2037 175.1390 65 Y 4.0553 8.7413 121.0257 61.5983 38.7162 178.3993 66 A 3.9878 7.4720 119.0120 56.1995 18.5251 179.0979 67 T 3.8013 8.5442 113.0783 67.0648 68.7818 175.9571 68 L 3.9164 7.2764 120.3031 56.8620 42.9234 178.7994 69 F 4.5168 7.7150 118.4129 54.0766 37.6976 174.8599 70 G 4.1190 7.1175 109.3554 44.3649 0.0000 170.4295 71 S 4.4188 8.5119 114.8683 57.2304 64.7739 174.3692 72 G 3.9341 8.4803 106.9285 45.9848 0.0000 171.0087 73 P 4.4337 0.0000 0.0000 61.9333 32.7088 177.2587 74 S 4.0326 8.2550 113.0655 59.2585 62.8177 174.2675 75 S 4.3581 8.7133 114.8671 58.4992 64.9992 175.9335 76 G 4.1230 8.9272 111.6893 46.1017 0.0000 173.2198 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 3.90 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 2 S 8.55 3.94 0.00 3.94 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 3 S 8.71 4.63 0.00 3.88 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 4 G 8.83 4.14 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 0.00 5 S 8.07 4.69 0.00 3.97 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 6 S 8.47 4.07 0.00 3.95 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 7 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.15 3.00 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 9 A 7.63 4.76 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 10 S 8.29 4.37 0.00 3.93 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 11 K 8.42 4.83 0.00 1.63 1.69 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 C 8.83 5.04 0.00 2.96 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 13 P 0.00 4.29 0.00 1.74 1.67 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 14 K 7.96 4.43 0.00 1.94 1.97 0.00 1.77 0.00 0.00 1.97 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 15 C 7.94 4.68 0.00 3.08 2.97 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 16 D 7.99 4.37 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.73 0.00 1.81 1.73 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.68 7.81 18 T 8.54 4.53 4.39 0.00 0.00 0.00 0.00 0.00 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 19 V 8.23 3.77 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 0.85 0.00 0.00 0.82 0.00 0.00 20 Y 9.00 4.31 0.00 3.10 2.97 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 21 F 8.97 4.09 0.00 2.98 3.09 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 22 A 8.49 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.07 4.53 0.00 2.06 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 2.30 2.28 0.00 24 K 7.82 4.24 0.00 1.87 1.65 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 25 V 8.16 4.50 2.08 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 0.97 0.00 0.00 0.93 0.00 0.00 26 S 8.78 4.94 0.00 3.94 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 27 S 9.57 4.51 0.00 3.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.68 3.81 0.00 1.96 1.81 0.40 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.86 3.85 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 0.00 0.00 0.00 30 K 8.30 4.52 0.00 1.89 1.56 0.00 1.21 0.00 0.00 1.24 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.67 1.19 7.81 31 D 8.30 5.40 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.83 5.20 0.00 3.19 3.20 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 0.00 0.00 0.00 33 H 8.76 5.19 0.00 3.37 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.85 3.85 0.00 1.61 1.70 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.60 7.81 35 F 8.11 4.55 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 36 C 8.26 4.37 0.00 3.39 3.20 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 0.00 0.00 0.00 37 L 7.67 4.17 0.00 1.81 1.48 0.45 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.24 4.62 0.00 1.71 1.63 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.36 7.81 39 C 8.57 3.75 0.00 2.90 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 40 E 8.56 4.40 0.00 1.96 2.25 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 2.35 2.45 0.00 41 R 8.28 4.33 0.00 2.02 2.06 0.00 3.24 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 42 C 8.12 4.26 0.00 3.15 3.09 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 43 S 8.04 4.48 0.00 4.06 3.99 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 44 K 7.60 4.56 0.00 1.64 1.63 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.46 7.81 45 T 8.47 3.78 4.20 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 0.00 0.00 1.15 0.00 0.00 46 L 7.76 4.61 0.00 1.54 1.45 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.01 4.64 4.20 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 0.00 0.00 1.17 0.00 0.00 48 P 0.00 4.13 0.00 2.26 2.03 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 49 G 9.07 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.35 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 0.00 0.00 0.00 0.00 51 H 7.59 4.75 0.00 2.92 3.12 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.20 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.46 5.28 0.00 2.13 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 2.27 2.48 0.00 54 H 9.97 4.88 0.00 3.79 3.76 0.00 5.87 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.58 4.44 0.00 2.61 2.74 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 0.00 0.00 0.00 56 G 8.83 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 0.00 0.00 0.00 0.00 57 K 7.70 4.39 0.00 1.97 1.48 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.67 7.81 58 P 0.00 4.74 0.00 1.50 1.31 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 59 F 9.14 4.83 0.00 3.19 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 60 C 9.13 3.84 0.00 2.95 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 61 H 8.99 3.95 0.00 3.19 3.34 0.00 5.68 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 62 K 7.31 4.64 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.29 7.81 63 P 0.00 4.47 0.00 2.31 2.37 0.00 3.77 0.00 0.00 3.80 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 64 C 8.07 3.38 0.00 3.31 3.06 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 0.00 0.00 0.00 0.00 65 Y 8.74 4.06 0.00 3.34 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 66 A 7.47 3.99 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 67 T 8.54 3.80 4.31 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 1.17 0.00 0.00 68 L 7.28 3.92 0.00 1.50 1.20 0.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.71 4.52 0.00 2.68 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 70 G 7.12 4.12 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 0.00 0.00 0.00 71 S 8.51 4.42 0.00 3.98 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 72 G 8.48 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 73 P 0.00 4.43 0.00 2.14 2.01 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 74 S 8.26 4.03 0.00 3.98 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 75 S 8.71 4.36 0.00 3.92 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 76 G 8.93 4.12 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 0.00 0.00 0.00