NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3119 8.1744 110.9430 61.3365 70.5158 173.4287 6 N 4.7130 7.9856 119.3204 53.2252 39.0473 173.3284 7 S 4.4294 8.7208 113.2472 57.6635 64.7242 173.1943 8 D 4.7950 8.6567 122.1738 55.1277 41.8801 175.3125 9 F 5.3492 7.9677 113.9289 55.4861 41.7340 173.9483 10 V 4.5665 8.8733 112.1073 59.5411 35.1552 174.9257 11 V 4.7987 8.7377 124.4530 61.3679 33.8691 174.4984 12 I 4.8936 9.0255 128.2633 59.5023 40.6042 174.0243 13 K 5.0410 9.1106 129.3810 54.4207 34.2636 175.1663 14 A 4.4304 8.8953 130.0901 52.0561 19.2866 177.4770 15 L 4.7565 8.7845 122.0548 54.3404 42.5441 175.9492 16 E 4.6781 7.6083 115.3058 55.2135 31.9118 174.6985 17 D 4.4612 8.4087 119.6621 55.6829 41.3709 176.8700 18 G 3.8654 8.2739 109.8739 45.7549 0.0000 173.8849 19 V 3.8809 7.4913 119.8919 62.9342 32.8503 174.5264 20 N 5.3274 8.9611 124.5646 51.4676 41.4498 173.5894 21 V 4.4761 8.8532 124.8051 61.4859 33.3885 174.2456 22 I 4.4761 8.8031 130.2952 59.5177 39.2563 175.1263 23 G 4.1366 8.8521 115.2883 45.0887 0.0000 172.4246 24 L 5.4430 8.7781 125.8252 52.9874 44.0633 176.3000 25 T 4.3842 8.9596 114.5751 61.7428 69.2360 174.2512 26 R 4.1847 7.9281 125.8847 57.2209 30.1147 174.8254 27 G 3.7486 8.8677 108.9147 44.1303 0.0000 173.9133 28 A 4.1097 8.6713 120.9409 54.3363 18.6360 177.5820 29 D 4.7619 7.2819 111.8039 53.0601 42.5453 175.9109 30 T 4.7182 8.3766 122.4274 61.8958 70.3827 173.0969 31 R 4.7967 8.7689 122.4707 54.0471 33.8806 174.2957 32 F 5.2185 8.7976 118.6040 58.0111 38.9572 175.2749 33 H 5.0045 8.9215 117.8770 56.2880 30.8248 173.8213 34 H 4.7909 7.5798 117.4245 54.8266 33.4205 172.1386 35 S 4.7636 8.0582 118.9149 56.3873 64.7784 172.4894 36 E 4.3711 9.0475 130.1190 55.1774 30.7660 174.9894 37 K 4.8774 8.5992 126.8735 55.4799 33.5053 175.9901 38 L 4.9014 8.9462 125.3723 53.0678 44.5461 176.3044 39 D 4.8984 9.4471 124.2741 52.6201 43.0679 175.9287 40 K 3.9195 9.2398 121.8224 58.5963 32.2634 176.9011 41 G 4.0422 8.9312 115.6681 45.1682 0.0000 173.5637 42 E 4.1886 8.0049 119.6696 56.4425 30.6983 176.0620 43 V 4.8715 8.3111 122.3758 61.0120 34.1912 174.2882 44 L 4.7467 9.0833 129.5338 53.2397 44.9881 174.8692 45 I 5.0015 8.4864 126.3764 59.6332 39.1333 174.6653 46 A 4.7096 8.8515 129.1084 50.0677 21.9407 175.4163 47 Q 4.8126 8.6001 120.6975 55.0807 30.4096 175.6760 48 F 4.7239 8.4882 120.1742 57.7710 39.9693 175.2557 49 T 4.7128 8.8175 111.4518 59.9595 72.0003 173.1136 50 E 3.9981 8.9455 121.3067 59.5993 29.5967 177.4580 51 H 4.5154 8.1222 114.2509 56.8114 29.6700 174.3069 52 T 5.3477 8.2268 116.5871 61.9706 70.9105 174.5110 53 S 4.9150 9.0129 120.4469 58.0592 65.1566 173.5681 54 A 5.0399 8.0111 121.7382 50.8012 22.7462 174.9314 55 I 4.9622 8.6212 120.5833 59.3489 40.7229 174.7154 56 K 4.5999 8.9242 128.0311 54.4922 34.8730 174.5902 57 V 4.7915 8.4188 126.6786 61.2463 33.4967 174.6228 58 R 4.5701 9.1226 126.9339 55.6684 33.0341 176.7749 59 G 3.9906 8.9736 108.3966 44.4375 0.0000 172.1794 60 K 4.6041 9.6271 120.5028 55.7679 33.0185 175.5241 61 A 5.1369 8.7366 127.6128 50.9609 23.3560 173.7442 62 Y 4.9380 9.0383 121.9445 56.1062 41.0899 174.5861 63 I 4.9322 8.3901 126.9779 59.5093 41.0821 174.2177 64 Q 4.9533 8.8894 125.9946 54.2886 31.7491 174.9067 65 T 4.7267 8.5199 112.6385 59.5055 72.5434 174.5126 66 R 3.7290 8.5595 120.9849 59.4307 29.7431 176.3528 67 H 4.7518 9.0862 112.2717 55.4395 29.9570 175.4144 68 G 3.6827 6.5065 107.3728 44.5893 0.0000 172.7380 69 V 4.8552 7.6308 114.4324 59.9715 35.2952 174.9623 70 I 4.4012 8.1638 120.3680 60.3489 41.8594 172.6990 71 E 5.3231 8.7422 126.3164 54.5770 31.9771 176.0684 72 S 4.6591 8.9662 118.9268 57.9158 65.3367 172.8192 73 E 4.8689 8.4690 119.4306 54.3884 32.9871 176.1339 74 G 3.7232 8.7596 111.7348 45.8909 0.0000 173.2849 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 5 T 8.17 4.31 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 1.22 0.00 0.00 6 N 7.99 4.71 0.00 2.79 2.84 0.00 0.00 7.13 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 7 S 8.72 4.43 0.00 4.11 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 8 D 8.66 4.80 0.00 2.76 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 F 7.97 5.35 0.00 2.95 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 10 V 8.87 4.57 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 0.58 0.00 0.00 0.81 0.00 0.00 11 V 8.74 4.80 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 1.11 0.00 0.00 1.14 0.00 0.00 12 I 9.03 4.89 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.90 0.00 0.00 13 K 9.11 5.04 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 A 8.90 4.43 1.35 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 15 L 8.78 4.76 0.00 1.65 1.71 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.61 4.68 0.00 2.03 1.88 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 2.36 2.30 0.00 17 D 8.41 4.46 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 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 0.00 0.00 0.00 19 V 7.49 3.88 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 1.02 0.00 0.00 20 N 8.96 5.33 0.00 2.61 2.58 0.00 0.00 6.33 7.00 0.00 0.00 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 V 8.85 4.48 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.80 4.48 1.58 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.20 -0.50 0.00 0.00 23 G 8.85 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 24 L 8.78 5.44 0.00 1.88 1.70 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.96 4.38 4.32 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 1.41 0.00 0.00 26 R 7.93 4.18 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.87 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 0.00 0.00 0.00 28 A 8.67 4.11 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 29 D 7.28 4.76 0.00 2.63 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 30 T 8.38 4.72 4.27 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 1.28 0.00 0.00 31 R 8.77 4.80 0.00 1.85 1.99 0.00 2.80 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 32 F 8.80 5.22 0.00 2.85 2.91 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 33 H 8.92 5.00 0.00 3.14 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.58 4.79 0.00 3.29 3.06 0.00 5.80 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 35 S 8.06 4.76 0.00 3.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.05 4.37 0.00 2.17 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 2.26 2.32 0.00 37 K 8.60 4.88 0.00 1.66 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.51 7.81 38 L 8.95 4.90 0.00 1.52 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.45 4.90 0.00 2.56 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 40 K 9.24 3.92 0.00 1.80 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 G 8.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.00 4.19 0.00 2.08 1.88 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 2.33 2.33 0.00 43 V 8.31 4.87 2.09 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.08 4.75 0.00 1.71 1.44 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.61 0.00 0.00 46 A 8.85 4.71 1.11 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 0.00 0.00 47 Q 8.60 4.81 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.49 4.72 0.00 3.03 3.07 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 0.00 0.00 0.00 49 T 8.82 4.71 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.95 4.00 0.00 1.91 1.95 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 2.07 2.28 0.00 51 H 8.12 4.52 0.00 3.24 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.23 5.35 4.35 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 1.32 0.00 0.00 53 S 9.01 4.91 0.00 3.80 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 54 A 8.01 5.04 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 55 I 8.62 4.96 1.84 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.87 0.00 0.00 56 K 8.92 4.60 0.00 1.84 1.58 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.42 4.79 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 0.90 0.00 0.00 0.90 0.00 0.00 58 R 9.12 4.57 0.00 1.76 1.78 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 59 G 8.97 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 0.00 0.00 0.00 60 K 9.63 4.60 0.00 1.83 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 A 8.74 5.14 1.26 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 0.00 0.00 0.00 62 Y 9.04 4.94 0.00 3.04 2.84 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 63 I 8.39 4.93 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.86 0.00 0.00 64 Q 8.89 4.95 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 65 T 8.52 4.73 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 1.16 0.00 0.00 66 R 8.56 3.73 0.00 1.58 1.71 0.00 3.16 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 67 H 9.09 4.75 0.00 3.19 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 4.86 1.84 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 0.71 0.00 0.00 1.01 0.00 0.00 70 I 8.16 4.40 1.84 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 1.23 1.27 0.86 0.00 0.00 71 E 8.74 5.32 0.00 1.93 1.88 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 2.55 2.52 0.00 72 S 8.97 4.66 0.00 3.93 3.98 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 73 E 8.47 4.87 0.00 1.82 1.85 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 2.22 2.30 0.00 74 G 8.76 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00