NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.1331 0.0000 0.0000 62.2051 33.2327 176.9495 11 Y 4.5579 7.5692 114.6502 56.8421 38.3219 173.7037 12 H 4.3279 8.0001 120.4721 55.0049 31.4910 173.1148 13 P 4.4367 0.0000 0.0000 63.2384 31.7263 175.5259 14 S 4.8590 8.2874 115.0071 57.2749 65.3045 173.2065 15 E 4.6964 8.5638 121.2332 55.3783 31.2390 175.9004 16 C 5.1021 8.6494 120.2056 55.2581 44.4231 173.9085 17 C 4.8211 8.3762 118.2067 55.4000 41.6434 174.0009 18 F 4.5247 8.5313 121.4893 57.6585 40.4053 174.9766 19 T 4.5019 7.4223 112.9796 60.4634 70.4964 171.8641 20 Y 5.1583 7.9772 121.1836 55.8975 41.1560 175.8874 21 T 4.0543 8.6770 118.9056 62.8262 67.9153 173.9608 22 T 4.3281 8.1589 115.5860 61.7479 69.9973 173.9599 23 Y 4.6568 7.1827 120.0851 55.6297 39.6464 175.4072 24 K 2.0000 8.1184 125.5516 55.5194 32.5865 176.4343 25 I 3.7477 6.4447 127.6228 60.1186 37.8792 174.1852 26 P 4.2430 0.0000 0.0000 62.5753 32.0043 176.8753 27 R 3.3182 8.8757 123.6092 59.4099 29.9377 178.1405 28 Q 3.8864 7.9829 116.6247 58.9834 29.2063 177.2113 29 R 4.1885 8.0413 115.4955 57.0618 30.5613 175.8738 30 I 4.5233 7.5263 120.0662 60.6663 38.2745 174.6762 31 M 4.4151 8.9821 125.6622 57.2095 33.0149 175.0586 32 D 5.1848 8.0115 115.8294 53.2336 45.6973 172.3116 33 Y 5.4663 8.2589 117.7176 55.9478 41.2330 173.4048 34 Y 4.7638 8.3383 117.3487 55.7027 42.0378 173.6051 35 E 4.9284 8.7870 119.8821 55.7167 30.7412 176.7552 36 T 4.3190 8.4694 114.1620 61.0538 70.2501 173.6186 37 N 4.4401 8.5033 121.0692 54.0287 39.3153 176.0829 38 S 4.2131 8.8967 119.6735 61.2757 63.1459 175.2933 39 Q 4.1933 8.2035 118.4318 57.2305 29.1298 175.8049 40 C 4.5438 8.0064 116.8056 56.5413 40.6776 174.7899 41 S 4.1646 8.4869 115.9933 60.0664 63.0194 174.4127 42 K 4.6990 7.3450 119.3876 53.8025 35.9566 174.3667 43 P 4.4876 0.0000 0.0000 63.0706 32.1780 175.8557 44 G 4.3138 8.2959 105.0356 45.1248 0.0000 171.5406 45 I 4.6886 8.2279 124.1734 59.1422 39.9825 174.6365 46 V 4.4178 8.1186 127.9295 61.4239 32.9052 174.6736 47 F 5.1478 8.8832 126.9951 56.6338 41.1636 174.7817 48 I 5.1292 8.8882 124.0644 59.8365 39.2002 175.9573 49 T 4.7585 8.9147 118.1875 60.9230 70.0032 176.0098 50 K 3.9323 9.0362 121.9515 59.5415 32.0284 178.7707 51 R 3.9751 7.8811 116.6276 57.3560 30.2662 176.6802 52 G 3.9956 8.3377 105.7663 46.1318 0.0000 172.8106 53 H 4.8725 8.1654 116.5834 54.7178 30.6323 174.3913 54 S 5.2909 8.7233 117.9369 56.9716 64.8802 173.6813 55 V 4.5276 8.9465 124.7762 61.1313 34.6372 173.8022 56 C 5.1530 8.9892 125.8963 57.1586 36.1634 172.7603 57 T 5.1056 9.0330 113.2353 59.6532 72.9474 172.5725 58 N 3.3948 8.0370 120.4722 51.5940 38.9750 173.9864 59 P 4.0227 0.0000 0.0000 64.9922 31.4933 177.2992 60 S 4.3536 7.6192 110.6685 58.4461 63.8961 174.8619 61 D 4.3013 7.5309 123.2790 53.9201 42.0370 176.8568 62 K 3.8188 8.5158 125.2811 59.3669 32.3979 178.8837 63 W 4.2672 8.2094 116.5665 59.6456 27.6452 178.2241 64 V 2.8282 6.3011 118.0689 65.5589 30.9750 177.6108 65 Q 3.8764 7.5155 117.5376 59.1949 28.4920 179.0228 66 D 4.3728 8.5524 119.8511 57.6582 40.6950 178.2603 67 Y 4.2837 8.1535 115.9952 61.4238 38.2218 178.6906 68 I 3.5791 7.9387 120.4402 64.1292 37.0049 178.5856 69 K 3.9491 8.0011 119.2667 59.6519 31.7783 178.9133 70 D 4.4288 8.2917 116.5108 56.6894 41.1422 177.0261 71 M 4.4853 7.4217 116.3959 53.8220 32.8465 176.0289 72 K 4.0866 7.3215 121.6621 57.2329 32.6950 176.2331 73 E 4.7884 8.5540 124.7191 56.3261 31.1945 175.1880 74 N 4.5544 8.4049 121.7770 53.4876 38.8450 175.1351 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 10 P 0.00 4.13 0.00 1.23 1.93 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 11 Y 7.57 4.56 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 12 H 8.00 4.33 0.00 3.11 3.18 0.00 5.74 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 13 P 0.00 4.44 0.00 2.20 2.04 0.00 3.34 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 14 S 8.29 4.86 0.00 3.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.56 4.70 0.00 2.06 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 2.36 2.29 0.00 16 C 8.65 5.10 0.00 2.39 2.31 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 17 C 8.38 4.82 0.00 2.89 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 18 F 8.53 4.52 0.00 3.03 2.94 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 0.00 0.00 0.00 19 T 7.42 4.50 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 1.24 0.00 0.00 20 Y 7.98 5.16 0.00 2.97 2.72 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 21 T 8.68 4.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 22 T 8.16 4.33 3.94 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 0.00 0.00 1.11 0.00 0.00 23 Y 7.18 4.66 0.00 2.99 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 24 K 8.12 2.00 0.00 0.89 1.25 0.00 1.52 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.80 0.21 7.81 25 I 6.44 3.75 1.83 0.00 0.00 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 1.45 0.61 0.92 0.00 0.00 26 P 0.00 4.24 0.00 2.13 1.93 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 27 R 8.88 3.32 0.00 1.45 1.72 0.00 3.01 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.00 28 Q 7.98 3.89 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 29 R 8.04 4.19 0.00 2.04 1.96 0.00 3.34 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 30 I 7.53 4.52 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 1.05 0.00 0.00 31 M 8.98 4.42 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 32 D 8.01 5.18 0.00 2.86 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 33 Y 8.26 5.47 0.00 2.41 2.72 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 34 Y 8.34 4.76 0.00 2.96 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 35 E 8.79 4.93 0.00 1.93 1.93 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 2.33 2.41 0.00 36 T 8.47 4.32 4.39 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 1.21 0.00 0.00 37 N 8.50 4.44 0.00 2.77 2.74 0.00 0.00 7.34 9.18 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 38 S 8.90 4.21 0.00 4.01 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 39 Q 8.20 4.19 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 40 C 8.01 4.54 0.00 3.11 2.87 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 41 S 8.49 4.16 0.00 4.05 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 42 K 7.35 4.70 0.00 1.87 1.72 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.38 7.81 43 P 0.00 4.49 0.00 2.14 2.04 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 44 G 8.30 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 0.00 0.00 0.00 0.00 45 I 8.23 4.69 1.45 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.73 0.06 0.00 0.00 46 V 8.12 4.42 0.67 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 0.85 0.00 0.00 0.69 0.00 0.00 47 F 8.88 5.15 0.00 3.21 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 48 I 8.89 5.13 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 1.01 0.00 0.00 49 T 8.91 4.76 4.44 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 1.33 0.00 0.00 50 K 9.04 3.93 0.00 1.74 1.93 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.41 7.81 51 R 7.88 3.98 0.00 1.77 1.94 0.00 3.25 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 52 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.87 0.00 3.20 3.28 0.00 5.59 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 54 S 8.72 5.29 0.00 3.84 3.88 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 55 V 8.95 4.53 2.32 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 1.16 0.00 0.00 1.07 0.00 0.00 56 C 8.99 5.15 0.00 3.01 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 57 T 9.03 5.11 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 1.69 0.00 0.00 58 N 8.04 3.39 0.00 1.98 2.57 0.00 0.00 6.87 7.71 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 59 P 0.00 4.02 0.00 1.91 1.95 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 60 S 7.62 4.35 0.00 3.90 3.85 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 0.00 0.00 0.00 61 D 7.53 4.30 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 3.82 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.49 7.81 63 W 8.21 4.27 0.00 3.17 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 64 V 6.30 2.83 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.77 0.00 0.00 65 Q 7.52 3.88 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 66 D 8.55 4.37 0.00 2.79 2.85 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 0.00 0.00 0.00 67 Y 8.15 4.28 0.00 3.08 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 68 I 7.94 3.58 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.78 0.70 0.00 0.00 69 K 8.00 3.95 0.00 2.05 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 70 D 8.29 4.43 0.00 2.76 2.83 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 71 M 7.42 4.49 0.00 2.27 2.41 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 2.84 2.63 0.00 72 K 7.32 4.09 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.48 7.81 73 E 8.55 4.79 0.00 1.96 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 2.23 2.60 0.00 74 N 8.40 4.55 0.00 2.72 2.73 0.00 0.00 6.97 7.56 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