NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8277 8.1976 109.7371 41.9100 0.0000 174.0756 4 I 3.0745 8.4167 113.5167 60.8235 38.4428 173.3229 5 R 4.8183 8.4063 121.1136 53.8591 30.3962 176.6666 6 E 4.0467 7.8912 118.2273 56.3951 31.3672 178.9884 7 K 4.4286 8.5701 121.5885 56.7243 33.3010 176.5852 8 I 4.8530 9.3716 124.3324 59.4409 41.6866 174.1007 9 K 5.1151 8.7869 125.2093 55.2139 34.7498 175.4521 10 L 5.2361 8.4907 124.4118 53.0506 43.0168 176.1740 11 V 4.4714 8.5103 124.6441 62.2620 33.3040 174.7907 12 S 3.6909 8.2877 121.3189 57.6066 62.0848 174.2244 13 S 4.2671 8.7721 123.1126 61.1927 63.1380 175.2312 14 A 4.0749 7.4368 122.4868 51.9341 18.8739 178.0413 15 G 3.8879 8.2940 108.4670 45.9593 0.0000 172.7993 16 T 4.6497 7.4557 111.5079 59.9558 70.9663 173.1696 17 G 3.8619 8.4510 111.4343 45.9967 0.0000 173.5278 18 H 4.5758 8.0317 121.0741 56.9586 31.2398 173.4438 19 F 5.0898 7.1317 115.2109 57.1825 40.4485 171.3207 20 Y 4.4510 8.6744 116.7899 56.5192 41.5853 174.6134 21 T 5.0039 8.0842 112.8563 62.0118 70.4624 173.5780 22 T 4.4968 8.8887 121.2785 62.5193 72.5886 171.5425 23 T 5.1727 8.5170 108.8198 60.7744 71.8276 173.0081 24 K 4.5196 8.4738 121.8633 54.9329 36.4079 175.2350 25 N 5.0796 8.4301 124.2957 51.2327 37.1561 174.9409 26 K 3.7588 8.1302 123.7634 59.4285 32.7492 178.4632 27 R 4.0771 7.4771 116.2825 58.7483 30.0482 177.2063 28 T 4.6141 8.6870 105.0091 60.7658 70.6091 174.1301 29 K 5.4430 7.3157 118.7260 53.6609 32.3489 175.9400 30 P 4.6279 0.0000 0.0000 62.2520 31.2937 176.9661 31 E 4.5482 7.9444 115.9315 53.8180 31.7296 174.3413 32 K 4.9350 8.7667 122.9090 56.1578 32.8684 176.4441 33 L 4.4233 8.4682 127.9922 55.0299 43.4338 175.3188 34 E 5.8518 8.7437 121.4233 55.3713 32.2593 174.8889 35 L 4.3690 8.8824 117.5132 55.2156 44.9769 171.4134 36 K 4.8633 8.8493 126.8363 56.4684 32.2739 174.9480 37 K 4.7054 8.5543 120.7547 54.7516 37.2309 174.7355 38 F 4.4729 8.7558 123.9346 58.6008 40.2574 174.5274 39 D 4.8701 7.5128 124.9810 50.7529 40.8840 174.3426 40 P 4.1280 0.0000 0.0000 65.2227 31.8610 178.4314 41 V 3.6045 7.7239 116.6720 65.6077 31.4355 176.7278 42 V 4.0129 8.4443 115.8872 61.7985 31.9752 175.1447 43 R 3.4744 7.7789 117.0319 57.1813 28.4946 176.3782 44 Q 4.8359 7.0459 113.9549 54.7411 33.8266 174.7548 45 H 4.5182 9.4514 121.7616 56.7093 29.5077 174.7806 46 V 4.6350 8.4363 123.4170 60.2523 35.3170 173.7359 47 I 4.6612 8.1458 120.0548 60.8064 39.2466 174.5368 48 Y 5.4716 8.7083 123.5239 55.6342 40.8343 174.1832 49 K 5.4658 8.2101 127.5521 55.1219 36.2287 171.4522 50 E 3.4817 9.7605 122.5289 56.1677 27.1161 173.5864 51 A 4.2422 8.0448 122.7666 50.8955 21.4140 176.6803 52 K 4.0480 9.0815 121.6236 57.5984 32.1111 176.9025 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 3 G 8.20 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 0.00 0.00 0.00 4 I 8.42 3.07 1.87 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 1.42 0.65 0.91 0.00 0.00 5 R 8.41 4.82 0.00 1.78 1.91 0.00 3.34 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 6 E 7.89 4.05 0.00 1.97 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 2.42 2.46 0.00 7 K 8.57 4.43 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 9.37 4.85 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 1.31 1.03 1.00 0.00 0.00 9 K 8.79 5.12 0.00 2.26 1.96 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.31 7.81 10 L 8.49 5.24 0.00 1.85 1.94 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.51 4.47 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 0.96 0.00 0.00 0.95 0.00 0.00 12 S 8.29 3.69 0.00 3.74 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 13 S 8.77 4.27 0.00 3.80 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 14 A 7.44 4.07 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 15 G 8.29 3.89 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 0.00 0.00 0.00 16 T 7.46 4.65 4.22 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 1.28 0.00 0.00 17 G 8.45 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 18 H 8.03 4.58 0.00 3.28 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.13 5.09 0.00 3.28 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 20 Y 8.67 4.45 0.00 2.65 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 21 T 8.08 5.00 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 1.18 0.00 0.00 22 T 8.89 4.50 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 1.23 0.00 0.00 23 T 8.52 5.17 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 1.29 0.00 0.00 24 K 8.47 4.52 0.00 1.84 1.73 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.43 5.08 0.00 2.76 2.70 0.00 0.00 6.54 6.75 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 26 K 8.13 3.76 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 27 R 7.48 4.08 0.00 2.28 2.01 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 28 T 8.69 4.61 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 1.27 0.00 0.00 29 K 7.32 5.44 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.48 7.81 30 P 0.00 4.63 0.00 2.04 2.07 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 31 E 7.94 4.55 0.00 2.07 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 2.24 2.23 0.00 32 K 8.77 4.93 0.00 1.67 1.87 0.00 1.81 0.00 0.00 2.30 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.31 7.81 33 L 8.47 4.42 0.00 1.79 1.55 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.74 5.85 0.00 1.99 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 2.35 2.17 0.00 35 L 8.88 4.37 0.00 1.74 1.76 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.85 4.86 0.00 2.02 2.06 0.00 1.82 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.46 7.81 37 K 8.55 4.71 0.00 0.92 0.99 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.20 7.81 38 F 8.76 4.47 0.00 2.78 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 39 D 7.51 4.87 0.00 2.82 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 40 P 0.00 4.13 0.00 1.93 2.11 0.00 2.96 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 41 V 7.72 3.60 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 0.73 0.00 0.00 0.94 0.00 0.00 42 V 8.44 4.01 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 0.81 0.00 0.00 0.96 0.00 0.00 43 R 7.78 3.47 0.00 1.95 2.15 0.00 3.31 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 44 Q 7.05 4.84 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 45 H 9.45 4.52 0.00 3.13 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.44 4.64 2.02 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 0.51 0.00 0.00 0.86 0.00 0.00 47 I 8.15 4.66 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.94 0.00 0.00 48 Y 8.71 5.47 0.00 2.90 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 49 K 8.21 5.47 0.00 1.82 1.69 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.38 7.81 50 E 9.76 3.48 0.00 2.16 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 2.20 2.54 0.00 51 A 8.04 4.24 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 52 K 9.08 4.05 0.00 1.77 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81