NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2522 8.1701 117.3741 62.9908 69.8747 173.6101 3 A 3.9733 8.5123 129.1233 51.8411 19.0319 175.0474 4 L 4.4119 8.4963 121.8889 53.3352 43.9155 175.5755 5 A 4.1602 8.2516 125.3883 51.4709 19.0954 177.1879 6 K 4.0030 8.4695 122.3560 55.7857 32.6220 175.3193 7 P 4.6789 0.0000 0.0000 60.8560 33.3129 174.6976 8 Q 4.1157 8.3708 119.7057 56.4545 29.2096 175.2406 9 M 4.6930 8.6196 122.4847 54.7544 34.2647 175.6274 10 R 4.5692 7.7833 117.2718 55.3087 32.8529 175.5847 11 G 3.9310 8.7255 108.2735 47.0847 0.0000 175.9085 12 L 3.9652 7.8751 122.4486 57.0872 41.5525 178.8380 13 L 3.9160 7.8688 119.8229 58.0596 42.1371 178.6472 14 A 3.9890 7.9519 120.2872 55.0639 18.3690 179.2929 15 R 3.8324 8.2674 117.4745 59.6611 30.2036 178.6553 16 R 3.9374 7.9842 118.4265 59.2644 29.9629 178.0807 17 L 3.9645 8.1291 120.1274 58.3130 42.1320 178.9814 18 R 3.8804 8.2222 118.6314 59.3221 30.0123 177.9759 19 F 4.0758 8.4244 120.4878 61.8190 39.3837 176.6006 20 H 4.3561 8.4205 114.8471 57.8582 28.7508 177.8308 21 I 3.7932 8.1177 122.4755 64.1113 36.8032 178.4499 22 V 3.6220 7.8076 119.2780 65.9078 31.3064 178.0476 23 G 3.5660 7.9110 105.2129 47.9569 0.0000 175.3581 24 A 3.9819 8.3509 123.9466 54.5139 18.3233 179.1963 25 F 4.0920 8.6354 119.6690 61.9188 39.3365 177.1295 26 M 3.9437 8.4320 118.2251 58.6162 31.8351 178.9515 27 V 3.5878 7.9807 118.2652 66.0369 31.5514 178.1334 28 S 4.1257 8.3253 115.2048 61.5863 62.8196 176.5548 29 L 3.9220 7.7950 121.7681 57.6731 41.2671 179.6341 30 G 3.7419 8.3129 105.8836 48.0446 0.0000 175.3821 31 F 4.2757 8.8001 123.8867 60.7594 39.3958 176.8119 32 A 3.9765 8.4358 120.6311 55.5391 17.8264 179.8905 33 T 3.8062 7.8396 113.5379 66.7856 68.5774 176.5821 34 F 4.2265 8.4848 122.9922 61.9000 39.3075 176.6485 35 Y 3.3126 8.1623 119.1430 60.2133 38.5673 177.5790 36 K 4.1062 8.4514 119.2173 58.3103 31.8067 178.3923 37 F 4.3446 7.6660 119.0400 59.7629 40.0429 177.2295 38 A 3.4494 8.2394 119.2315 53.4004 18.4161 177.2208 39 V 3.7510 7.1445 114.4584 63.9561 33.6881 177.5617 40 A 3.8567 7.4792 120.4581 55.1967 18.5046 179.3200 41 E 3.8493 8.4989 117.4313 59.2225 29.4204 179.1549 42 K 3.5945 7.1903 119.8071 59.7042 32.0759 178.6048 43 R 3.9032 7.8239 118.3669 59.4630 30.0545 178.4168 44 K 3.9664 7.9715 118.3473 59.5781 31.9879 179.2555 45 K 3.9548 8.5019 119.9065 59.1044 32.0355 178.5436 46 A 3.9315 8.2833 121.5377 55.5110 18.2616 179.2027 47 Y 3.6699 8.2327 114.5332 61.1429 37.8078 178.5580 48 A 4.1593 8.1216 120.2756 55.6597 18.3866 179.1778 49 D 4.4598 8.5845 117.6003 57.1958 40.6666 178.6500 50 F 3.8342 8.1239 120.4917 61.4514 39.8568 176.3092 51 Y 4.4494 8.2870 114.4259 58.7784 37.6901 177.6082 52 R 3.9695 7.5819 120.2063 59.2451 30.2143 177.7212 53 N 4.9940 7.8095 112.1116 52.8399 39.2159 174.0977 54 Y 4.0134 7.6945 119.5061 57.5822 39.4188 175.5500 55 D 4.5271 7.7182 125.6824 52.0468 42.9042 176.4722 56 S 3.6064 7.9608 123.4858 61.3213 63.1189 176.1445 57 M 4.1578 7.9132 122.0192 57.8980 31.7276 178.3723 58 K 3.8974 8.3872 119.9063 59.5247 32.3325 178.1863 59 D 4.3591 7.9272 118.3296 57.4711 41.1266 178.0849 60 F 4.3206 8.4829 121.0795 61.4182 39.3133 176.7374 61 E 3.6932 8.5513 119.2922 59.1200 29.5227 178.6731 62 E 3.8990 8.3500 118.8497 59.5494 29.6456 179.2184 63 M 3.9041 8.1675 119.0357 58.1424 32.0160 178.7377 64 R 3.8928 8.1326 119.1277 59.5413 30.0516 178.8571 65 K 4.0168 7.9659 116.5266 58.8803 32.0942 178.6355 66 A 4.1944 7.4926 119.2745 52.9014 18.3954 178.1425 67 G 3.8646 7.7308 105.7326 45.4070 0.0000 174.9552 68 I 3.7104 7.0975 114.0579 62.1693 37.9486 176.1384 69 F 5.0337 7.4814 119.1942 56.0448 40.4076 175.9224 70 Q 4.2044 8.9731 123.3860 58.5844 28.7399 177.3790 71 S 4.5891 8.1725 109.0093 58.0796 63.8960 173.7041 72 A 4.7089 7.8934 123.9446 50.8697 21.7300 176.1261 73 K 4.2601 8.8042 121.5614 56.5708 32.6458 176.1379 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 T 8.17 4.25 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 1.21 0.00 0.00 3 A 8.51 3.97 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 4 L 8.50 4.41 0.00 1.64 1.59 0.92 0.79 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 5 A 8.25 4.16 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 6 K 8.47 4.00 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.68 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 8 Q 8.37 4.12 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.62 4.69 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 10 R 7.78 4.57 0.00 1.76 1.80 0.00 3.30 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 11 G 8.73 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 0.00 0.00 0.00 12 L 7.88 3.97 0.00 1.69 1.71 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.87 3.92 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 3.99 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 15 R 8.27 3.83 0.00 2.04 2.08 0.00 3.22 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 16 R 7.98 3.94 0.00 2.01 2.13 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 L 8.13 3.96 0.00 1.91 1.88 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.22 3.88 0.00 1.95 1.97 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 19 F 8.42 4.08 0.00 3.16 3.23 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 20 H 8.42 4.36 0.00 3.40 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.12 3.79 1.95 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 1.65 0.91 0.91 0.00 0.00 22 V 7.81 3.62 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 1.03 0.00 0.00 0.90 0.00 0.00 23 G 7.91 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 4.09 0.00 3.09 3.17 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 0.00 26 M 8.43 3.94 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 27 V 7.98 3.59 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 0.96 0.00 0.00 0.98 0.00 0.00 28 S 8.33 4.13 0.00 3.91 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 29 L 7.80 3.92 0.00 1.72 1.59 0.53 0.43 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 30 G 8.31 3.74 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 0.00 0.00 0.00 31 F 8.80 4.28 0.00 3.05 3.25 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 0.00 32 A 8.44 3.98 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 33 T 7.84 3.81 4.54 0.00 0.00 0.00 0.00 0.00 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 34 F 8.48 4.23 0.00 3.08 3.20 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 35 Y 8.16 3.31 0.00 2.31 2.68 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 36 K 8.45 4.11 0.00 2.01 1.87 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.59 7.81 37 F 7.67 4.34 0.00 3.09 3.04 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 38 A 8.24 3.45 0.56 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 0.00 0.00 39 V 7.14 3.75 0.95 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 0.62 0.00 0.00 0.27 0.00 0.00 40 A 7.48 3.86 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 41 E 8.50 3.85 0.00 1.91 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 2.48 2.47 0.00 42 K 7.19 3.59 0.00 1.60 1.80 0.00 1.67 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.23 7.81 43 R 7.82 3.90 0.00 2.02 2.04 0.00 3.14 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 44 K 7.97 3.97 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 45 K 8.50 3.95 0.00 1.78 1.94 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.45 7.81 46 A 8.28 3.93 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 47 Y 8.23 3.67 0.00 3.18 3.24 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 0.00 48 A 8.12 4.16 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 49 D 8.58 4.46 0.00 2.77 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 50 F 8.12 3.83 0.00 2.81 2.80 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 0.00 0.00 0.00 51 Y 8.29 4.45 0.00 3.36 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 3.97 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.81 4.99 0.00 2.69 2.76 0.00 0.00 6.84 7.46 0.00 0.00 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 7.69 4.01 0.00 2.86 3.08 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 55 D 7.72 4.53 0.00 2.56 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 56 S 7.96 3.61 0.00 4.18 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 0.00 57 M 7.91 4.16 0.00 2.10 2.26 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 2.67 2.51 0.00 58 K 8.39 3.90 0.00 1.90 1.84 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 7.93 4.36 0.00 2.90 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 60 F 8.48 4.32 0.00 3.18 3.33 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 61 E 8.55 3.69 0.00 2.47 1.90 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 2.34 2.38 0.00 62 E 8.35 3.90 0.00 2.21 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 2.30 2.50 0.00 63 M 8.17 3.90 0.00 1.60 2.37 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.49 0.00 64 R 8.13 3.89 0.00 1.20 1.70 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 65 K 7.97 4.02 0.00 1.73 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 66 A 7.49 4.19 1.28 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 0.00 0.00 67 G 7.73 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 0.00 0.00 0.00 68 I 7.10 3.71 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.36 0.71 0.00 0.00 69 F 7.48 5.03 0.00 3.37 3.12 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 0.00 0.00 0.00 0.00 70 Q 8.97 4.20 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 71 S 8.17 4.59 0.00 3.96 3.98 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 72 A 7.89 4.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.80 4.26 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81