NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4508 8.1476 120.3500 55.6243 33.3305 176.4455 1 K 4.5311 7.6754 113.3620 57.1122 32.6371 178.5660 2 R 4.4154 7.7497 117.7431 56.5032 30.1622 177.8991 3 E 4.8584 8.8810 118.8177 57.7724 36.9629 177.0672 4 S 4.2832 8.8795 117.3079 59.5838 63.4109 175.9089 5 H 3.8491 8.7552 116.1958 58.2863 27.5636 180.3645 6 K 3.9088 7.0184 115.7757 56.5587 34.2501 175.7320 7 H 3.8231 8.1548 121.5684 59.4422 30.3311 177.2662 8 A 3.8902 8.4091 121.7630 54.9009 17.8709 177.3959 9 E 4.0223 8.2530 118.3838 58.2573 30.5602 178.4465 10 Q 3.9291 8.2721 117.6533 59.3062 29.6113 178.3270 11 A 4.0935 7.8036 120.0382 54.4139 18.0794 178.4429 12 R 4.2847 7.5416 115.9992 57.8373 31.3669 177.8940 13 R 3.8989 8.6959 119.9459 59.0010 30.0208 177.8302 14 N 4.3007 8.7539 119.4024 55.6227 36.9119 177.0067 15 R 3.8207 7.6637 119.3897 58.9741 30.2398 178.5841 16 L 4.0366 8.0660 119.1933 58.3600 41.8181 178.6930 17 A 3.8853 7.9249 120.6893 55.4218 17.5918 180.0940 18 V 3.6469 7.9325 109.9679 63.8754 31.5375 178.7625 19 A 4.3575 8.5642 121.4044 55.1710 17.9931 179.3976 20 L 3.9387 7.6200 117.5846 58.5392 42.4100 178.6833 21 H 4.4598 8.1889 116.2939 58.8972 28.7231 177.6152 22 E 4.8469 9.6944 121.3911 58.1947 29.0684 178.7480 23 L 4.1044 7.7101 119.0301 57.0170 42.1885 177.7041 24 A 4.4071 8.2734 119.9231 53.5690 19.7146 178.4998 25 S 4.2273 7.9029 112.1560 60.9622 63.4414 175.5402 26 L 4.8472 7.6117 119.0675 54.3135 41.9000 175.8081 27 I 4.3047 7.6505 117.7733 58.3180 40.4630 172.7019 28 P 4.5341 0.0000 0.0000 61.0474 31.9480 176.0345 29 A 3.9648 8.7804 127.0655 55.2627 18.3727 179.0185 30 E 4.0146 8.2412 113.2547 58.9243 29.4752 178.0587 31 W 3.9706 8.6770 130.1188 59.3020 31.4146 179.5897 32 K 5.0917 8.4929 116.1370 59.1949 31.8744 178.1613 33 Q 4.0348 8.1215 118.8292 59.0951 29.2960 177.6562 34 Q 3.9990 8.5735 117.1322 58.6210 28.7407 176.6105 35 N 4.6832 8.3789 114.9157 52.2053 37.9227 175.0491 36 V 3.6287 8.4618 121.8685 62.9980 32.0145 175.7166 37 S 4.1860 8.7207 123.5266 58.9373 63.3023 173.6980 38 A 4.2278 9.4705 128.2368 53.6640 19.3798 176.4514 39 A 4.9517 7.4397 118.6879 50.3783 19.9830 175.8989 40 P 4.5622 0.0000 0.0000 61.8093 29.6357 175.3748 41 S 4.7829 8.8860 121.2369 56.7588 65.7875 173.8120 42 K 4.1501 8.4361 123.5368 56.1690 31.9817 176.4696 43 A 4.5064 7.5559 126.0915 52.0312 26.1993 179.6881 44 T 4.8853 8.0695 107.9923 64.0786 68.4953 175.4570 45 T 4.0701 7.5543 111.3201 62.7700 69.2710 176.9418 46 V 3.6066 7.2880 120.9085 65.6648 31.5840 177.3064 47 E 4.0544 7.5837 118.3261 59.3176 29.3475 179.0053 48 A 3.7467 7.8017 119.7080 55.2386 18.4194 179.2778 49 A 4.0149 7.9585 118.8458 55.0957 18.0151 179.4893 50 C 4.0020 7.7805 117.6666 62.6805 31.7741 175.3475 51 R 4.2149 7.5663 119.5243 60.0107 29.5503 177.7310 52 Y 4.1384 7.5816 118.0091 61.1636 38.4897 177.8650 53 I 3.6018 7.4945 120.3589 64.6751 37.4653 178.0128 54 R 4.5611 8.7913 120.3766 59.9808 30.4622 177.8115 55 H 4.3590 8.8388 118.1905 57.8764 29.6225 177.6258 56 L 3.9198 9.0057 124.3829 58.3748 42.1177 178.6082 57 Q 3.8557 8.2741 117.1874 59.3335 29.5327 177.3029 58 Q 4.4425 7.6324 122.7036 55.6106 27.3815 175.8852 59 N 4.5490 7.7735 116.2987 54.5687 39.7358 174.1879 60 G 4.0449 9.1479 114.9260 45.3691 0.0000 173.5084 61 S 4.1134 7.7039 114.9302 59.5939 63.2432 174.4907 62 T 4.1231 8.2725 113.8729 62.2621 67.9746 173.2602 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 0 M 8.15 4.45 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 1 K 7.68 4.53 0.00 2.16 2.03 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 2 R 7.75 4.42 0.00 1.83 2.03 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 3 E 8.88 4.86 0.00 1.96 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 2.16 2.37 0.00 4 S 8.88 4.28 0.00 3.86 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 5 H 8.76 3.85 0.00 3.31 3.73 0.00 5.46 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 6 K 7.02 3.91 0.00 1.94 1.98 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.39 7.81 7 H 8.15 3.82 0.00 3.22 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.41 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.02 0.00 2.09 1.80 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 0.00 2.30 2.28 0.00 10 Q 8.27 3.93 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 11 A 7.80 4.09 1.20 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 0.00 0.00 12 R 7.54 4.28 0.00 1.86 2.26 0.00 3.17 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 13 R 8.70 3.90 0.00 1.99 2.23 0.00 3.17 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 14 N 8.75 4.30 0.00 2.88 3.23 0.00 0.00 6.73 5.13 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 15 R 7.66 3.82 0.00 2.07 2.01 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 L 8.07 4.04 0.00 1.65 1.81 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.92 3.89 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 18 V 7.93 3.65 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 0.95 0.00 0.00 0.94 0.00 0.00 19 A 8.56 4.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.94 0.00 1.99 1.71 0.92 1.15 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 21 H 8.19 4.46 0.00 3.23 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.69 4.85 0.00 2.03 2.01 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 2.34 2.19 0.00 23 L 7.71 4.10 0.00 1.91 1.95 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.27 4.41 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 25 S 7.90 4.23 0.00 4.03 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 26 L 7.61 4.85 0.00 1.71 1.82 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.65 4.30 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.96 0.00 0.00 28 P 0.00 4.53 0.00 2.29 2.08 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.91 0.00 29 A 8.78 3.96 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 30 E 8.24 4.01 0.00 1.97 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 2.32 2.26 0.00 31 W 8.68 3.97 0.00 3.13 2.99 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 32 K 8.49 5.09 0.00 2.10 1.88 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.59 7.81 33 Q 8.12 4.03 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 34 Q 8.57 4.00 0.00 1.05 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 35 N 8.38 4.68 0.00 2.85 3.07 0.00 0.00 7.04 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 36 V 8.46 3.63 2.12 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 0.84 0.00 0.00 0.96 0.00 0.00 37 S 8.72 4.19 0.00 3.91 3.81 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 38 A 9.47 4.23 1.27 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 0.00 0.00 39 A 7.44 4.95 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 40 P 0.00 4.56 0.00 2.19 2.10 0.00 3.71 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 1.98 1.95 0.00 41 S 8.89 4.78 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.15 0.00 1.75 1.76 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 43 A 7.56 4.51 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 44 T 8.07 4.89 4.23 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 1.21 0.00 0.00 45 T 7.55 4.07 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 1.22 0.00 0.00 46 V 7.29 3.61 2.23 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 0.84 0.00 0.00 0.92 0.00 0.00 47 E 7.58 4.05 0.00 2.19 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 2.31 2.36 0.00 48 A 7.80 3.75 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 49 A 7.96 4.01 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 50 C 7.78 4.00 0.00 2.96 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 51 R 7.57 4.21 0.00 1.58 1.13 0.00 3.43 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 52 Y 7.58 4.14 0.00 2.55 2.75 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 53 I 7.49 3.60 2.17 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 1.42 0.54 0.88 0.00 0.00 54 R 8.79 4.56 0.00 1.88 2.07 0.00 3.29 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 55 H 8.84 4.36 0.00 3.56 3.70 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.01 3.92 0.00 1.44 1.57 -0.45 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.27 3.86 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.17 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 58 Q 7.63 4.44 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 59 N 7.77 4.55 0.00 2.95 2.75 0.00 0.00 7.58 7.98 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 60 G 9.15 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 61 S 7.70 4.11 0.00 3.86 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 62 T 8.27 4.12 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 1.25 0.00 0.00