NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4603 8.0393 114.0057 61.6773 33.3219 173.9478 2 K 4.3885 8.6368 119.9999 55.6690 35.4419 173.3013 3 D 5.0626 9.3703 119.2174 51.8008 44.3591 177.7938 4 G 3.3531 6.4179 108.8615 45.2857 0.0000 170.5070 5 Y 4.7792 7.7722 117.3541 56.4351 38.7140 175.8805 6 I 4.1983 8.1999 118.5334 61.0799 39.1274 175.3227 7 V 4.9153 7.9069 115.5970 59.7642 36.0828 175.5458 8 D 4.7097 8.4831 121.9667 52.6991 40.8877 176.4322 9 D 4.5786 8.5663 117.1936 55.3696 39.5869 176.9128 10 V 4.2892 7.6300 112.6323 61.1681 32.3229 174.6194 11 N 4.2286 7.8797 115.9602 54.9344 37.5787 172.9770 12 C 4.7001 8.3901 114.2764 54.7379 41.6419 174.2868 13 T 4.6675 8.0893 114.0101 61.2713 69.3706 173.3538 14 Y 4.5087 8.5674 120.0037 56.6549 38.8020 175.1451 15 F 4.7185 9.1516 127.4109 58.3310 40.1894 172.8671 16 C 4.4173 6.6003 117.4094 54.5266 43.8703 173.6026 17 G 3.7946 8.4970 106.4284 44.8581 0.0000 173.9047 18 R 4.9078 7.6713 117.7331 53.9610 34.3928 176.3979 19 N 4.6306 8.8931 119.3558 56.5054 38.6908 177.6465 20 A 4.0438 8.1348 121.8103 55.1503 18.4901 178.8167 21 Y 4.0441 8.0896 117.5882 61.2721 38.9157 179.0430 22 C 3.9984 7.9796 116.4214 59.6759 39.9820 175.4542 23 N 4.2981 8.4897 119.1232 56.7751 38.5169 176.7520 24 E 3.9011 8.0696 119.7383 59.5569 29.4303 179.2255 25 E 3.8191 7.8424 118.5012 59.5256 29.4235 178.8722 26 C 4.2406 8.3736 117.2656 60.0807 41.4027 176.2155 27 T 4.0183 7.8777 112.5998 63.8064 68.2281 176.9232 28 K 3.9471 7.8921 120.9301 59.0792 32.1073 178.1393 29 L 4.3549 7.1865 114.8869 54.1901 41.6320 177.3319 30 K 3.9038 7.9354 117.3320 56.8602 30.2045 176.3510 31 G 4.0194 7.8005 107.5531 45.1642 0.0000 175.2646 32 E 4.2822 9.0244 121.4300 58.5530 30.0464 176.4291 33 S 4.6781 7.6073 111.4634 58.5356 66.1259 174.2321 34 G 4.3647 9.1140 108.5178 45.9701 0.0000 171.3646 35 Y 4.8770 8.0264 116.5546 56.0695 42.0352 173.1515 36 C 4.6753 9.3735 120.9624 55.4372 45.4819 173.1487 37 Q 4.5841 8.7557 130.0442 55.1354 29.1655 175.0423 38 W 4.4969 9.2104 126.8367 56.7758 30.1878 176.1469 39 A 3.7363 8.6306 124.8300 53.1736 16.3119 177.6976 40 S 4.4536 7.5638 114.7973 58.2316 64.0978 173.3390 41 P 4.0948 0.0000 0.0000 64.6638 30.8737 177.0282 42 Y 4.5831 7.4030 114.9979 57.3337 38.3811 177.0531 43 G 3.8360 8.0071 110.0384 44.2875 0.0000 172.2005 44 N 4.6150 8.4246 115.6205 53.4495 39.5009 174.3699 45 A 5.5331 8.6728 123.8825 50.6682 23.2131 174.7325 46 C 4.7412 8.9823 118.8052 57.0572 43.1014 171.9413 47 Y 4.4521 8.4650 124.2457 55.7280 41.1620 173.6249 48 C 5.3145 8.0885 123.2571 55.2806 45.5184 172.3307 49 Y 5.0504 8.7596 119.2834 56.5909 40.3223 176.1269 50 K 4.0453 9.1496 121.4230 57.5142 30.4912 175.7375 51 L 4.2672 7.9076 118.1617 53.6584 42.7932 175.9542 52 P 4.6223 0.0000 0.0000 62.6010 31.8137 177.5947 53 D 4.4300 8.4742 120.4417 57.2358 40.8872 177.4963 54 H 4.4558 7.8421 112.9200 56.7101 29.2061 175.6891 55 V 3.7865 7.2785 121.2460 62.3959 32.2970 175.1955 56 R 4.2852 8.5209 127.7098 56.4409 31.1348 175.1814 57 T 4.8866 8.2227 115.3530 58.9965 72.1745 173.4320 58 K 4.0183 8.6775 123.8539 57.0033 32.6134 176.0297 59 G 4.3050 8.6883 115.7560 42.5284 0.0000 170.4285 60 P 4.3098 0.0000 0.0000 63.5423 31.7575 175.8487 61 G 4.0599 8.6673 108.6999 44.8166 0.0000 173.3845 62 R 4.2542 8.4101 123.8162 55.4010 31.0324 176.3786 63 C 4.7185 8.4542 124.5873 55.7893 46.2196 172.9030 64 H 4.5052 8.7046 125.9397 56.3707 29.8111 172.6321 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 V 8.04 4.46 2.13 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 0.88 0.00 0.00 0.94 0.00 0.00 2 K 8.64 4.39 0.00 1.85 1.83 0.00 1.22 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.39 7.81 3 D 9.37 5.06 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 6.42 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 4.78 0.00 2.87 2.82 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 6 I 8.20 4.20 1.61 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.33 0.68 0.00 0.00 7 V 7.91 4.92 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 0.84 0.00 0.00 0.98 0.00 0.00 8 D 8.48 4.71 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 9 D 8.57 4.58 0.00 2.80 2.83 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 10 V 7.63 4.29 2.06 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 0.80 0.00 0.00 1.01 0.00 0.00 11 N 7.88 4.23 0.00 2.76 2.90 0.00 0.00 7.14 7.84 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 12 C 8.39 4.70 0.00 3.26 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 13 T 8.09 4.67 4.30 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 0.92 0.00 0.00 14 Y 8.57 4.51 0.00 2.90 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 15 F 9.15 4.72 0.00 3.02 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 16 C 6.60 4.42 0.00 2.99 3.10 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 17 G 8.50 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.91 0.00 1.97 1.92 0.00 3.22 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 19 N 8.89 4.63 0.00 2.85 3.02 0.00 0.00 7.05 7.87 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 20 A 8.13 4.04 1.39 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 0.00 0.00 0.00 21 Y 8.09 4.04 0.00 3.14 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 22 C 7.98 4.00 0.00 3.17 3.01 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 23 N 8.49 4.30 0.00 2.96 2.94 0.00 0.00 7.21 7.80 0.00 0.00 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 E 8.07 3.90 0.00 2.12 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 2.33 2.46 0.00 25 E 7.84 3.82 0.00 1.51 1.58 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 1.65 1.93 0.00 26 C 8.37 4.24 0.00 3.03 3.03 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 27 T 7.88 4.02 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 1.36 0.00 0.00 28 K 7.89 3.95 0.00 1.90 1.91 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.66 7.81 29 L 7.19 4.35 0.00 1.70 1.63 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.94 3.90 0.00 2.18 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.24 7.81 31 G 7.80 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.02 4.28 0.00 2.03 2.21 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 2.34 2.26 0.00 33 S 7.61 4.68 0.00 4.09 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 34 G 9.11 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 0.00 0.00 0.00 0.00 35 Y 8.03 4.88 0.00 3.29 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 36 C 9.37 4.68 0.00 3.26 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.76 4.58 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.95 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 38 W 9.21 4.50 0.00 3.26 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.74 1.46 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 0.00 0.00 40 S 7.56 4.45 0.00 3.88 4.11 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 0.00 0.00 0.00 0.00 41 P 0.00 4.09 0.00 0.99 1.81 0.00 2.94 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 42 Y 7.40 4.58 0.00 2.85 2.83 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 43 G 8.01 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 0.00 0.00 0.00 44 N 8.42 4.62 0.00 2.04 2.09 0.00 0.00 5.19 6.36 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 45 A 8.67 5.53 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.98 4.74 0.00 2.75 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 47 Y 8.46 4.45 0.00 2.31 1.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 5.31 0.00 2.54 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.76 5.05 0.00 2.92 2.82 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 50 K 9.15 4.05 0.00 1.99 1.87 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 51 L 7.91 4.27 0.00 1.69 1.47 0.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 1.69 1.82 0.00 3.49 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 53 D 8.47 4.43 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.84 4.46 0.00 3.23 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.28 3.79 2.10 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 0.63 0.00 0.00 0.83 0.00 0.00 56 R 8.52 4.29 0.00 1.94 1.78 0.00 3.32 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 57 T 8.22 4.89 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 1.12 0.00 0.00 58 K 8.68 4.02 0.00 1.62 1.74 0.00 1.59 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.58 1.22 7.81 59 G 8.69 4.30 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 60 P 0.00 4.31 0.00 2.20 2.09 0.00 3.75 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 1.99 1.98 0.00 61 G 8.67 4.06 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 0.00 62 R 8.41 4.25 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 63 C 8.45 4.72 0.00 2.88 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 64 H 8.70 4.51 0.00 3.06 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00