NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2034 8.3101 121.7885 54.8100 34.3172 176.1948 20 A 5.2650 7.8230 131.5892 51.7828 20.2110 175.2920 21 K 3.7342 7.7118 120.2873 57.4375 33.3822 175.8919 22 V 3.3896 8.2361 123.9553 64.3309 32.5241 178.5797 23 K 4.5479 8.2900 119.7103 59.1899 33.3425 177.5204 24 A 4.7159 7.0798 118.3058 52.3047 18.4358 177.3539 25 T 4.6031 8.0390 115.0177 63.2415 71.5414 174.3332 26 L 4.5751 7.2697 119.8213 52.4849 44.8258 177.2349 27 G 3.9548 8.0285 109.2764 44.5462 0.0000 173.0752 28 E 4.3034 8.6821 119.8990 56.4778 30.2092 176.5184 29 F 4.5857 8.0935 116.8400 56.2943 40.0348 173.4340 30 D 4.3396 8.2793 122.0339 53.4360 40.4434 176.5656 31 L 4.6606 7.5444 131.9447 55.1571 40.5860 177.3831 32 R 4.4479 7.3786 115.6156 56.9084 33.1438 173.8163 33 D 4.4110 7.8418 117.5902 53.8146 40.7998 174.6540 34 Y 4.6774 7.8931 125.2899 57.3297 38.1958 176.1844 35 R 4.5512 8.8835 119.1402 56.2496 32.4710 175.1763 36 N 4.7003 8.3680 116.5850 58.0607 37.2758 178.7482 37 V 2.9461 6.4734 108.2175 62.6491 32.4525 177.2033 38 E 3.9205 7.9013 121.6608 60.3599 29.8624 179.0739 39 V 3.4984 8.7579 118.5656 66.7190 31.1961 177.9924 40 L 4.4084 7.9656 117.1624 58.1203 41.7212 179.5119 41 K 3.5193 8.3454 118.7203 59.5029 32.1050 178.1246 42 R 3.9508 7.6909 117.7857 59.3867 29.7891 178.2676 43 F 4.1254 9.1409 117.9972 58.6001 38.8624 175.1243 44 L 4.9700 6.7316 118.4596 52.9663 43.3900 176.3539 45 S 4.5240 8.3200 116.0889 57.6527 63.9910 174.8551 46 E 4.2098 8.5895 118.6054 58.1708 29.5461 177.9038 47 T 5.1846 7.2764 114.3250 62.5037 69.8143 175.7279 48 G 4.0450 8.4838 109.0729 45.2356 0.0000 174.3457 49 K 3.9242 7.8939 118.6870 56.6339 32.7677 175.7154 50 I 4.3326 8.1763 122.6328 61.3173 37.4583 176.1367 51 L 4.4889 8.1064 127.4075 53.8029 42.1838 175.2605 52 P 4.4909 0.0000 0.0000 62.3053 32.4989 177.0854 53 R 3.8536 8.9464 121.6369 59.8371 29.4785 177.5709 54 R 4.1466 6.9088 116.0035 59.0284 30.3904 178.0903 55 R 4.3963 7.7318 121.5728 55.8738 30.0424 177.1652 56 T 4.5992 8.3888 107.6748 61.2106 74.9732 172.2093 57 G 4.1851 8.2857 105.6249 46.4028 0.0000 172.1454 58 L 4.6827 7.7254 124.5343 53.5579 45.3962 175.0188 59 S 4.6908 7.3313 112.0314 57.7996 64.7663 176.6737 60 A 3.7754 8.2092 130.9964 54.6440 18.6978 178.3881 61 K 3.6413 7.7685 114.3287 60.0872 31.6021 177.8964 62 E 3.8518 8.5533 117.1155 60.2612 30.0845 179.1964 63 Q 3.8641 8.2945 119.3358 59.9583 29.2984 178.9085 64 R 3.8221 8.2479 118.3842 59.4565 30.1230 178.7100 65 I 3.6806 7.9213 119.0618 64.9307 37.3824 177.8757 66 L 3.7769 8.5980 121.4926 57.6787 41.9402 178.4462 67 A 3.9460 8.3710 120.9658 55.3984 18.0205 179.4460 68 K 3.7986 8.4093 117.2477 60.2045 31.7585 179.6161 69 T 4.1176 7.8043 108.8336 64.4961 68.5807 176.8122 70 I 3.8200 7.9241 122.7820 64.6752 37.1128 177.7471 71 K 4.0911 8.6210 119.8211 58.7557 31.6973 180.0076 72 R 3.4805 8.0624 117.2133 59.1774 30.7089 178.4244 73 A 4.1120 7.8628 119.7389 54.7745 18.6595 179.7366 74 R 3.9701 8.8784 119.2470 58.3452 29.7862 179.1308 75 I 3.6999 7.5150 118.6858 64.3546 37.2224 177.8776 76 L 4.2127 7.5952 119.0658 56.9296 41.6442 178.2125 77 G 4.3771 6.5443 115.3431 46.0806 0.0000 173.7856 78 L 4.0389 7.4250 121.0172 57.5076 41.9370 177.6341 79 L 4.3250 7.6686 118.5086 53.4015 42.6471 174.6953 80 P 4.5762 0.0000 0.0000 61.7914 33.0666 175.4602 81 F 4.8942 8.4302 116.6611 59.3685 39.9507 176.2354 82 T 4.7456 7.4646 114.0952 63.1702 72.2296 173.5746 83 E 4.7107 8.8935 118.0861 55.1450 30.7821 174.6650 84 K 4.0274 8.4123 125.6362 57.5470 32.8381 176.3357 85 L 4.5204 8.1839 123.3312 53.6796 43.9254 175.3022 86 V 4.1838 7.8393 120.5953 62.2066 33.3617 176.3090 87 R 3.3129 8.3943 116.7924 57.2827 28.6209 175.8269 88 K 4.1274 8.3202 124.6931 56.4534 32.5515 175.4199 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 19 K 8.31 4.20 0.00 1.71 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 20 A 7.82 5.27 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 21 K 7.71 3.73 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.48 7.81 22 V 8.24 3.39 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 0.36 0.00 0.00 0.76 0.00 0.00 23 K 8.29 4.55 0.00 2.26 1.91 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.77 7.81 24 A 7.08 4.72 1.29 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 0.00 0.00 0.00 25 T 8.04 4.60 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 1.14 0.00 0.00 26 L 7.27 4.58 0.00 1.47 1.03 0.50 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.03 3.95 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 0.00 0.00 0.00 28 E 8.68 4.30 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 29 F 8.09 4.59 0.00 3.20 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 30 D 8.28 4.34 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.54 4.66 0.00 1.50 1.00 0.73 0.36 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 32 R 7.38 4.45 0.00 1.71 2.17 0.00 3.28 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 33 D 7.84 4.41 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.68 0.00 3.15 3.06 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 35 R 8.88 4.55 0.00 1.52 1.83 0.00 3.12 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.00 36 N 8.37 4.70 0.00 2.96 3.01 0.00 0.00 6.30 7.68 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 37 V 6.47 2.95 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 0.79 0.00 0.00 0.93 0.00 0.00 38 E 7.90 3.92 0.00 1.93 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 2.32 2.41 0.00 39 V 8.76 3.50 2.40 0.00 0.00 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 0.98 0.00 0.00 40 L 7.97 4.41 0.00 1.82 1.84 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.35 3.52 0.00 1.69 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 42 R 7.69 3.95 0.00 1.90 1.60 0.00 2.86 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 43 F 9.14 4.13 0.00 3.29 3.14 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 44 L 6.73 4.97 0.00 1.65 1.68 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.32 4.52 0.00 4.04 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 46 E 8.59 4.21 0.00 1.99 2.04 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 2.31 2.33 0.00 47 T 7.28 5.18 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 48 G 8.48 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 49 K 7.89 3.92 0.00 1.88 1.82 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 I 8.18 4.33 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.95 0.00 0.00 51 L 8.11 4.49 0.00 1.83 1.68 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.14 2.19 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 53 R 8.95 3.85 0.00 1.92 2.04 0.00 3.25 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 54 R 6.91 4.15 0.00 1.88 1.84 0.00 3.24 0.00 0.00 3.24 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 55 R 7.73 4.40 0.00 1.83 1.97 0.00 3.42 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 56 T 8.39 4.60 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 57 G 8.29 4.19 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 0.00 58 L 7.73 4.68 0.00 1.58 1.58 1.15 0.77 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 59 S 7.33 4.69 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.78 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 61 K 7.77 3.64 0.00 1.82 1.65 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 62 E 8.55 3.85 0.00 2.12 1.94 0.00 0.00 0.00 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 2.34 0.00 63 Q 8.29 3.86 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 64 R 8.25 3.82 0.00 2.23 1.87 0.00 3.21 0.00 0.00 3.16 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 65 I 7.92 3.68 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.91 0.00 0.00 66 L 8.60 3.78 0.00 1.47 1.76 0.54 0.38 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 67 A 8.37 3.95 1.36 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 68 K 8.41 3.80 0.00 1.98 1.88 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 69 T 7.80 4.12 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 1.40 0.00 0.00 70 I 7.92 3.82 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.95 0.00 0.00 71 K 8.62 4.09 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.58 7.81 72 R 8.06 3.48 0.00 2.05 1.80 0.00 2.94 0.00 0.00 2.66 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 73 A 7.86 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.88 3.97 0.00 1.01 0.68 0.00 3.20 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 75 I 7.51 3.70 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.66 0.93 0.00 0.00 76 L 7.60 4.21 0.00 1.58 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 G 6.54 4.38 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 0.00 78 L 7.42 4.04 0.00 1.80 1.73 1.00 1.01 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 79 L 7.67 4.33 0.00 1.70 1.50 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.58 0.00 2.18 2.02 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 81 F 8.43 4.89 0.00 3.10 2.98 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 82 T 7.46 4.75 4.31 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 1.24 0.00 0.00 83 E 8.89 4.71 0.00 2.11 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 0.00 2.35 2.40 0.00 84 K 8.41 4.03 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.42 7.81 85 L 8.18 4.52 0.00 1.58 1.57 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.84 4.18 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 0.91 0.00 0.00 0.93 0.00 0.00 87 R 8.39 3.31 0.00 2.03 2.13 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 88 K 8.32 4.13 0.00 1.67 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.40 7.81