NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3388 8.2649 123.5860 52.0467 18.4734 175.7356 3 R 4.2807 8.1240 121.2066 55.2680 31.5284 176.4650 4 K 4.1921 9.2876 123.7210 59.9259 32.7059 178.7281 5 A 4.1230 8.1190 119.1524 54.1960 18.5486 178.2416 6 L 4.6938 9.2349 115.9366 55.5237 43.0496 177.6434 7 I 4.0700 7.7795 121.1544 62.6890 36.7982 177.0647 8 E 3.8976 8.1949 120.7823 59.8699 29.6985 179.1571 9 K 3.9898 7.8810 119.0089 59.1994 32.1714 178.3321 10 A 3.8674 7.7232 120.5618 54.1240 18.3872 178.8428 11 K 3.9722 7.4488 117.6415 57.8978 32.8325 177.6973 12 R 3.9392 7.2254 117.0678 56.4212 30.5366 176.5444 13 T 3.9184 8.3840 119.3102 63.0884 68.7567 172.6666 14 P 4.7161 0.0000 0.0000 61.5579 32.7901 177.0910 15 K 3.8510 8.5016 117.8928 58.1442 32.5726 177.5094 16 F 4.8027 7.8796 118.5804 55.1789 42.2488 175.8666 17 K 4.2427 8.7824 124.3280 59.0796 32.8427 179.4898 18 V 3.8272 7.8774 112.9024 64.3615 31.7366 177.7006 19 R 3.9556 7.8784 117.7866 58.7080 29.9989 176.3456 20 A 3.9418 7.6260 119.1940 52.5456 17.5744 176.3600 21 Y 4.7243 7.9062 119.9892 56.4408 40.3022 175.2873 22 T 4.5604 8.2485 110.0876 60.6004 70.6324 174.0443 23 R 4.8661 7.9438 120.2628 54.6527 34.4810 174.2479 24 C 4.6033 9.0548 121.0104 58.6289 32.1482 174.9948 25 V 3.5841 8.3316 127.3313 64.5839 30.3894 176.7809 26 R 4.1915 7.2833 120.0361 58.1441 30.6863 175.9603 27 C 4.3557 7.9523 115.3412 56.6758 42.3045 175.1695 28 G 3.7218 8.0069 107.9505 44.6740 0.0000 173.4893 29 R 4.0638 7.7336 119.4082 57.0349 30.4728 176.4996 30 A 4.7262 8.1397 119.4508 52.1076 22.2654 177.4507 31 R 4.0697 8.1361 116.5498 59.2702 30.7228 177.1958 32 S 4.7552 7.5123 110.5023 57.7861 63.8273 173.7698 33 V 4.6292 7.7921 119.3656 61.4560 33.6867 175.1696 34 Y 4.3681 8.8570 121.8300 57.2399 38.6610 176.8100 35 R 3.8885 9.0692 123.7900 59.5262 30.5337 178.5869 36 F 3.8788 8.3224 118.0365 60.6070 39.3561 175.5769 37 F 4.7194 8.3696 116.0713 57.8194 40.8516 176.7544 38 G 4.0844 9.6811 108.1739 45.5466 0.0000 172.5580 39 L 5.1914 7.8918 117.6286 51.5680 45.7431 175.2648 40 C 4.8939 8.5735 115.9304 55.3397 42.0175 174.9854 41 R 4.0919 8.3097 118.1074 59.3459 28.7906 179.3808 42 I 3.6649 7.6880 120.4289 64.6861 37.3296 177.7102 43 C 4.1147 8.1099 116.9563 62.5420 27.7994 175.7702 44 L 3.6941 8.3075 122.4523 58.4752 41.6517 178.5613 45 R 3.6693 7.4387 118.0695 59.3654 29.6934 177.9465 46 E 3.8870 8.3110 118.3726 59.2231 29.5072 179.4910 47 L 4.2013 7.5762 117.8531 56.8584 42.2170 178.4815 48 A 3.8885 7.8724 119.7156 55.6611 18.1770 179.2980 49 H 4.3900 8.0122 113.6362 59.1787 28.9822 178.0554 50 K 4.1474 7.3163 118.8589 57.7079 31.7036 178.3240 51 G 3.9692 8.2181 107.1201 45.4171 0.0000 174.7298 52 Q 3.9121 7.8391 116.9807 56.8220 28.8308 175.9942 53 L 4.5972 7.1269 118.4915 51.6688 42.6862 174.3829 54 P 4.2088 0.0000 0.0000 64.0467 31.3752 177.3432 55 G 3.8391 8.6614 105.9689 46.2976 0.0000 174.0416 56 V 3.9539 7.5415 119.6516 61.6480 30.5238 174.8699 57 R 4.5567 8.0336 129.0444 54.5843 32.3619 174.4156 58 K 4.5549 8.3280 116.0090 54.4315 34.0109 176.1883 59 A 4.2744 8.5488 126.7246 52.4950 19.0942 177.0221 60 S 4.5752 8.6909 113.4418 57.6016 64.7066 174.9553 61 W 4.8442 8.6179 124.5494 56.9721 27.6476 174.4215 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 2 A 8.26 4.34 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 3 R 8.12 4.28 0.00 1.99 1.87 0.00 3.17 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 4 K 9.29 4.19 0.00 1.80 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.55 7.81 5 A 8.12 4.12 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 6 L 9.23 4.69 0.00 1.81 1.80 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.78 4.07 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.92 0.00 0.00 8 E 8.19 3.90 0.00 2.07 1.98 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 2.39 2.45 0.00 9 K 7.88 3.99 0.00 1.99 1.71 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 10 A 7.72 3.87 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 11 K 7.45 3.97 0.00 1.71 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 R 7.23 3.94 0.00 1.98 1.85 0.00 3.38 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 13 T 8.38 3.92 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 1.19 0.00 0.00 14 P 0.00 4.72 0.00 2.43 2.21 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 15 K 8.50 3.85 0.00 1.70 1.01 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.26 7.81 16 F 7.88 4.80 0.00 3.12 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 17 K 8.78 4.24 0.00 1.96 2.09 0.00 1.53 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 V 7.88 3.83 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 0.77 0.00 0.00 0.98 0.00 0.00 19 R 7.88 3.96 0.00 2.19 2.12 0.00 3.34 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 20 A 7.63 3.94 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 21 Y 7.91 4.72 0.00 3.07 2.93 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 22 T 8.25 4.56 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 1.24 0.00 0.00 23 R 7.94 4.87 0.00 1.78 1.87 0.00 3.58 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 24 C 9.05 4.60 0.00 3.03 2.93 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 25 V 8.33 3.58 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 0.80 0.00 0.00 0.95 0.00 0.00 26 R 7.28 4.19 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.28 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 27 C 7.95 4.36 0.00 3.14 3.22 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 0.00 28 G 8.01 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 29 R 7.73 4.06 0.00 1.93 1.87 0.00 3.24 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 30 A 8.14 4.73 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.14 4.07 0.00 1.76 1.98 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 32 S 7.51 4.76 0.00 3.80 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 33 V 7.79 4.63 2.18 0.00 0.00 0.00 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 34 Y 8.86 4.37 0.00 3.27 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 35 R 9.07 3.89 0.00 1.95 2.02 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 36 F 8.32 3.88 0.00 2.77 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 37 F 8.37 4.72 0.00 3.22 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 38 G 9.68 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.89 5.19 0.00 1.73 1.56 0.95 0.89 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 40 C 8.57 4.89 0.00 3.21 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.09 0.00 2.33 2.56 0.00 2.87 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 42 I 7.69 3.66 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.93 0.92 0.00 0.00 43 C 8.11 4.11 0.00 3.17 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 44 L 8.31 3.69 0.00 1.57 1.72 0.33 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.44 3.67 0.00 1.78 2.02 0.00 3.15 0.00 0.00 3.14 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 46 E 8.31 3.89 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 2.33 2.55 0.00 47 L 7.58 4.20 0.00 1.73 1.62 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.87 3.89 1.23 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 0.00 0.00 49 H 8.01 4.39 0.00 3.12 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.32 4.15 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.59 7.81 51 G 8.22 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 0.00 0.00 0.00 52 Q 7.84 3.91 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 L 7.13 4.60 0.00 1.55 1.62 0.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.26 2.25 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 55 G 8.66 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 56 V 7.54 3.95 2.22 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 0.69 0.00 0.00 1.15 0.00 0.00 57 R 8.03 4.56 0.00 1.81 1.86 0.00 3.26 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 58 K 8.33 4.55 0.00 1.78 1.73 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 59 A 8.55 4.27 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 4.58 0.00 3.89 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 61 W 8.62 4.84 0.00 3.31 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