NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0992 8.1976 108.0256 46.6464 0.0000 172.2009 2 T 4.9931 8.3492 109.3865 58.8634 71.3480 172.9751 3 N 4.7642 9.4916 123.0709 51.3495 40.4157 175.7187 4 A 4.0150 8.3109 129.2930 54.5185 18.6944 178.8761 5 A 3.9107 7.9715 118.9503 55.7822 18.7195 179.6958 6 M 4.0945 8.5313 117.2699 58.4222 31.9396 179.2341 7 R 4.0409 8.1437 118.3971 59.1541 30.2606 179.0003 8 K 3.9393 8.2069 119.1845 59.4152 31.9855 178.5386 9 A 3.8274 7.7412 119.9623 54.5065 18.3523 178.1917 10 F 4.7235 7.9049 113.4111 56.5275 39.4818 175.7258 11 N 4.3312 7.8529 116.2679 54.0995 36.4641 174.3161 12 Y 4.3965 8.2233 117.8598 57.9222 39.9874 174.9257 13 Q 4.4546 7.8741 123.3184 54.4208 31.7880 175.0761 14 D 4.5195 8.5132 117.9363 53.6341 39.8477 175.6437 15 T 4.6259 7.2248 108.5355 59.5951 71.8820 173.1459 16 A 4.1780 8.1430 124.5241 51.4665 19.4587 177.1863 17 K 3.9626 7.7403 120.6234 55.0124 32.9252 175.9223 18 N 4.1301 9.5608 125.1552 54.2181 36.0038 175.8714 19 G 3.8428 8.2808 105.3142 45.1442 0.0000 174.2434 20 K 3.9355 7.5387 120.9490 55.0606 32.8022 176.1863 21 K 5.0909 8.0876 121.3080 55.1183 35.9984 176.5712 22 C 3.8506 9.0083 118.7703 63.1520 28.0441 177.0372 23 S 3.7774 7.9108 112.6799 60.2359 62.7525 175.1040 24 G 4.0871 8.3672 109.6340 45.2148 0.0000 172.0235 25 C 4.6995 7.9996 120.6102 57.1165 32.8423 174.7089 26 A 4.0713 8.7572 129.5812 54.6762 18.2808 178.5421 27 Q 4.2181 7.8618 113.7409 56.8910 29.4741 175.5116 28 F 4.8692 7.7875 121.2423 58.1442 40.4326 175.0612 29 V 4.0451 7.8463 125.3861 60.1167 33.0153 173.0436 30 P 4.0435 0.0000 0.0000 62.4861 32.1505 177.3526 31 G 4.0337 8.5276 110.2173 43.6932 0.0000 172.9077 32 A 4.1027 8.7171 121.3561 54.4632 18.5348 177.8262 33 S 4.8785 7.6324 107.9284 55.5324 66.1485 173.1495 34 P 4.4622 0.0000 0.0000 64.8667 31.0888 177.4426 35 T 4.3875 7.6092 105.9755 61.2193 69.5968 174.7364 36 A 4.3306 7.6643 125.2767 51.3262 19.5353 177.0913 37 A 4.3921 8.5025 121.6388 52.4657 19.8688 177.2395 38 G 4.1270 9.4678 108.7846 45.1128 0.0000 170.7976 39 G 4.6784 8.2839 108.1697 44.7447 0.0000 171.4872 40 C 5.2230 8.1178 117.9280 57.9113 34.3729 175.2864 41 K 3.9622 8.9024 125.8288 59.1525 31.8033 178.3085 42 V 3.8748 7.5596 116.0998 63.6290 32.0468 175.8881 43 I 4.6411 7.0900 119.5414 58.6987 37.1092 173.0635 44 P 4.2549 0.0000 0.0000 63.8263 32.0444 177.3159 45 G 3.8410 8.7962 107.4553 46.3703 0.0000 172.5509 46 D 4.9432 8.0649 118.1924 52.1692 43.3806 174.7585 47 N 5.1062 9.0629 124.6851 52.3262 38.1321 174.6870 48 Q 4.7308 8.4778 116.8087 56.3859 30.3633 175.6931 49 I 4.0037 7.8626 121.2956 61.0357 38.2919 175.7294 50 A 4.5990 9.2990 131.6583 50.9321 19.1195 176.5743 51 P 3.7212 0.0000 0.0000 65.1188 31.4408 177.8938 52 G 3.9040 7.9949 105.5837 45.2761 0.0000 173.7279 53 G 3.9202 7.7845 108.7015 46.3263 0.0000 172.0796 54 Y 5.1146 7.8794 118.2680 57.1184 42.8357 173.4914 55 C 4.8584 6.9595 117.0274 56.5928 32.9816 174.6132 56 D 4.3551 8.9727 119.8303 57.2041 40.4720 177.6750 57 A 4.2228 7.7107 119.5588 51.8368 18.5859 176.9791 58 F 3.9811 7.4665 119.2139 59.2574 39.9296 174.5871 59 I 4.3029 6.9435 126.5415 58.8984 41.2205 174.1601 60 V 3.8989 8.0779 129.7942 61.6364 31.8701 175.7956 61 K 4.1621 8.5178 124.5707 56.4538 33.4910 177.2715 62 K 4.1702 8.5287 122.4642 56.4930 32.3219 176.0939 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 8.20 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 2 T 8.35 4.99 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 1.18 0.00 0.00 3 N 9.49 4.76 0.00 2.74 2.70 0.00 0.00 7.47 7.86 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 4 A 8.31 4.02 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 5 A 7.97 3.91 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 6 M 8.53 4.09 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 7 R 8.14 4.04 0.00 2.03 2.08 0.00 3.04 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.71 0.00 8 K 8.21 3.94 0.00 1.98 2.04 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 9 A 7.74 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.90 4.72 0.00 3.21 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 11 N 7.85 4.33 0.00 3.06 2.94 0.00 0.00 6.81 8.17 0.00 0.00 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 Y 8.22 4.40 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 4.45 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 14 D 8.51 4.52 0.00 2.84 2.88 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 0.00 0.00 0.00 15 T 7.22 4.63 4.17 0.00 0.00 0.00 0.00 0.00 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 16 A 8.14 4.18 1.14 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 17 K 7.74 3.96 0.00 0.79 0.74 0.00 1.51 0.00 0.00 1.17 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.80 0.97 7.81 18 N 9.56 4.13 0.00 2.70 2.75 0.00 0.00 7.30 7.65 0.00 0.00 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 G 8.28 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 20 K 7.54 3.94 0.00 1.23 0.74 0.00 1.44 0.00 0.00 1.42 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.98 1.08 7.81 21 K 8.09 5.09 0.00 2.00 1.77 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 22 C 9.01 3.85 0.00 2.72 2.36 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 23 S 7.91 3.78 0.00 3.95 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 24 G 8.37 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 0.00 0.00 0.00 25 C 8.00 4.70 0.00 3.11 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 26 A 8.76 4.07 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.86 4.22 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 28 F 7.79 4.87 0.00 2.98 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 29 V 7.85 4.05 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 0.86 0.00 0.00 0.83 0.00 0.00 30 P 0.00 4.04 0.00 1.93 2.05 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 31 G 8.53 4.03 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 0.00 0.00 0.00 32 A 8.72 4.10 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 33 S 7.63 4.88 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.10 2.21 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 35 T 7.61 4.39 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 1.23 0.00 0.00 36 A 7.66 4.33 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 37 A 8.50 4.39 1.31 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 0.00 0.00 0.00 38 G 9.47 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 0.00 0.00 0.00 0.00 39 G 8.28 4.68 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 40 C 8.12 5.22 0.00 3.09 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 41 K 8.90 3.96 0.00 1.95 1.82 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 V 7.56 3.87 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 -0.11 0.00 0.00 0.70 0.00 0.00 43 I 7.09 4.64 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.89 0.00 0.00 44 P 0.00 4.25 0.00 2.18 2.06 0.00 3.91 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 2.01 1.99 0.00 45 G 8.80 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 46 D 8.06 4.94 0.00 2.54 2.56 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 47 N 9.06 5.11 0.00 2.67 2.81 0.00 0.00 6.84 8.17 0.00 0.00 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 8.48 4.73 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 49 I 7.86 4.00 2.22 0.00 0.00 0.62 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 0.87 1.24 0.00 0.00 50 A 9.30 4.60 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 51 P 0.00 3.72 0.00 2.20 2.37 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 52 G 7.99 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 53 G 7.78 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 54 Y 7.88 5.11 0.00 3.06 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 55 C 6.96 4.86 0.00 3.29 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 56 D 8.97 4.36 0.00 2.87 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 57 A 7.71 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.47 3.98 0.00 2.82 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 59 I 6.94 4.30 1.71 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 1.23 1.04 0.73 0.00 0.00 60 V 8.08 3.90 2.11 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 0.75 0.00 0.00 0.99 0.00 0.00 61 K 8.52 4.16 0.00 1.79 1.91 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.43 7.81 62 K 8.53 4.17 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81