NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5807 8.3644 120.5615 53.6343 41.5340 174.8042 4 K 2.0000 8.1379 126.4188 54.1325 32.7122 174.2442 5 P 4.2707 0.0000 0.0000 62.6275 32.7625 176.0694 6 K 4.2206 8.3862 121.3409 55.9735 32.7434 177.3551 7 R 3.4228 8.1696 120.5526 55.2632 30.5958 175.1683 8 P 4.4163 0.0000 0.0000 62.1345 32.1406 176.1752 9 L 4.0617 8.1966 120.3798 54.5205 42.2070 178.1914 10 S 4.4191 8.4513 118.1636 57.9061 65.2525 175.1978 11 A 4.3063 8.5767 124.0651 55.3930 18.0995 179.3590 12 Y 2.0000 7.7037 117.5294 60.6095 38.8605 177.9912 13 M 3.5164 8.2855 119.3000 58.0648 32.1012 178.1675 14 L 3.9210 8.1324 119.7898 57.4045 41.7918 179.1191 15 W 2.5400 7.6561 128.0252 59.7065 30.5537 177.3383 16 L 2.4400 7.4418 120.4713 57.9329 41.0283 178.6292 17 N 4.0597 7.4608 114.9871 56.4292 38.5961 177.3266 18 S 4.1445 7.1752 113.7101 60.2373 63.4608 175.1955 19 A 4.2178 6.9455 122.8437 51.6581 19.1302 178.3838 20 R 3.5832 7.5008 118.5880 59.3002 30.1083 178.3843 21 E 3.8596 7.8964 117.7719 59.2834 29.5763 178.8238 22 S 4.0438 7.9713 112.6625 61.7279 62.2585 176.1614 23 I 3.7280 7.7918 122.2763 64.4617 36.5838 178.6460 24 K 3.9964 7.7090 118.3473 58.9973 31.8962 179.2384 25 R 4.0274 8.1172 118.9822 59.4695 30.2334 178.0496 26 E 4.3224 8.0422 115.3252 57.2315 31.1230 177.1255 27 N 4.9915 7.6495 116.5658 49.9522 39.3390 171.3182 28 P 4.3857 0.0000 0.0000 64.0830 32.2387 177.3122 29 G 3.8844 8.8805 109.4194 45.4699 0.0000 173.5624 30 I 3.6977 7.4945 119.9051 61.1041 38.6735 176.2636 31 K 4.2530 8.4303 126.1632 55.7111 34.2840 178.1561 32 V 3.5670 8.4608 122.1170 66.9443 31.1857 178.7038 33 T 3.8958 7.8264 114.4977 66.7704 68.2963 176.4096 34 E 4.0720 8.0223 119.9324 58.9871 29.2432 179.3307 35 V 3.5572 8.3849 118.8434 65.8529 31.5738 177.8941 36 A 4.1323 7.9058 120.2460 55.1079 18.1144 179.5759 37 K 3.9535 7.8681 117.9310 59.5000 32.2875 179.1509 38 R 4.0285 8.5014 119.5550 59.4841 30.0318 178.5203 39 G 4.2199 9.4197 106.6698 48.2258 0.0000 175.7933 40 G 3.7686 8.4098 107.7872 47.4825 0.0000 175.8518 41 E 4.0360 8.0977 120.7481 59.3774 29.4606 179.4098 42 L 4.0480 8.2657 119.0673 57.4311 41.4955 179.3790 43 W 3.5628 8.1604 127.7195 60.3045 30.7629 178.0652 44 R 3.8814 8.2600 114.8370 58.9471 28.8742 178.3075 45 A 4.2951 7.5419 120.9786 53.7865 18.6668 176.5965 46 M 3.8427 7.6967 117.5111 55.7941 31.8024 176.0230 47 K 3.8362 8.4859 126.9237 58.6194 32.4906 177.0004 48 D 4.5584 7.7367 119.0527 53.1817 40.3651 175.5102 49 K 4.5715 8.0765 125.0450 55.9774 32.5342 177.9120 50 S 4.1857 8.1311 118.1993 61.8587 62.5992 176.0270 51 E 3.6363 7.9421 122.4217 58.6898 29.2034 178.7317 52 W 4.4748 7.5887 118.2247 59.6635 29.3203 178.3826 53 E 4.1503 8.8513 118.9109 59.0926 28.8475 179.2453 54 A 3.9834 8.3332 121.2962 55.1124 18.4105 179.8853 55 K 3.9527 8.0804 116.8400 59.6321 32.1947 179.5295 56 A 4.0500 8.5859 121.1004 54.8941 18.2054 179.5989 57 A 3.9877 7.9697 119.4858 55.4030 18.5401 180.0815 58 K 4.1169 7.9785 116.3806 59.6186 32.1373 179.4694 59 A 4.5452 8.3485 122.6611 54.2936 18.1862 179.7571 60 K 3.9790 8.1492 118.2713 59.7940 32.3073 178.6323 61 D 4.4109 8.0474 119.1951 57.6499 40.5478 178.5997 62 D 4.3762 8.6491 119.4573 57.5892 40.8035 178.2253 63 Y 4.1580 8.2349 119.8776 60.9436 38.7142 177.8481 64 D 4.1715 8.7117 119.9945 57.6154 40.9640 179.2191 65 R 3.8758 8.2644 118.2861 59.1024 30.1223 178.9820 66 A 4.0463 8.0778 120.6825 54.7069 18.2941 179.9690 67 V 3.4195 7.5774 117.3415 65.8121 31.5538 178.0365 68 K 3.8453 8.1563 119.6747 59.7291 31.8444 178.4272 69 E 3.9939 8.0662 117.9382 59.0085 29.5650 178.1270 70 F 4.3575 7.8884 120.0877 60.9019 39.5233 176.9324 71 E 4.1244 8.2169 117.4671 57.5403 29.9630 176.7941 72 A 4.3424 7.4379 123.3151 50.5614 18.7186 176.1328 73 N 4.5692 8.3913 117.3752 53.8309 38.0646 174.9243 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 3 D 8.36 4.58 0.00 2.71 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 4 K 8.14 2.00 0.00 1.29 1.44 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.16 7.81 5 P 0.00 4.27 0.00 2.06 1.96 0.00 3.36 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 6 K 8.39 4.22 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 R 8.17 3.42 0.00 1.65 1.58 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 8 P 0.00 4.42 0.00 2.13 2.07 0.00 3.19 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 1.78 1.70 0.00 9 L 8.20 4.06 0.00 1.67 1.64 0.91 0.83 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 10 S 8.45 4.42 0.00 4.08 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 11 A 8.58 4.31 1.69 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 0.00 0.00 12 Y 7.70 2.00 0.00 2.03 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 13 M 8.29 3.52 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 14 L 8.13 3.92 0.00 2.11 2.06 1.09 0.73 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 15 W 7.66 2.54 0.00 1.81 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 16 L 7.44 2.44 0.00 0.99 1.13 0.44 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.46 4.06 0.00 2.72 2.74 0.00 0.00 7.12 7.10 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 18 S 7.18 4.14 0.00 4.06 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 19 A 6.95 4.22 0.32 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 20 R 7.50 3.58 0.00 1.81 1.76 0.00 2.98 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 21 E 7.90 3.86 0.00 1.98 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 2.35 2.30 0.00 22 S 7.97 4.04 0.00 3.86 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 23 I 7.79 3.73 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 0.90 0.00 0.00 24 K 7.71 4.00 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.62 7.81 25 R 8.12 4.03 0.00 1.74 2.12 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 E 8.04 4.32 0.00 2.01 2.00 0.00 0.00 0.00 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 2.36 0.00 27 N 7.65 4.99 0.00 2.75 2.68 0.00 0.00 6.86 7.93 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 28 P 0.00 4.39 0.00 2.03 2.01 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 29 G 8.88 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 0.00 0.00 0.00 30 I 7.49 3.70 1.98 0.00 0.00 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 1.29 0.85 0.90 0.00 0.00 31 K 8.43 4.25 0.00 2.03 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.43 7.81 32 V 8.46 3.57 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 1.04 0.00 0.00 0.91 0.00 0.00 33 T 7.83 3.90 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 34 E 8.02 4.07 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 35 V 8.38 3.56 2.24 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 0.94 0.00 0.00 0.94 0.00 0.00 36 A 7.91 4.13 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 37 K 7.87 3.95 0.00 1.87 1.99 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 38 R 8.50 4.03 0.00 2.14 2.09 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 39 G 9.42 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 0.00 0.00 0.00 0.00 40 G 8.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.04 0.00 2.25 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 2.37 2.59 0.00 42 L 8.27 4.05 0.00 2.18 2.00 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.16 3.56 0.00 3.12 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 44 R 8.26 3.88 0.00 1.94 2.07 0.00 3.11 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 45 A 7.54 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.70 3.84 0.00 1.36 1.79 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 47 K 8.49 3.84 0.00 1.71 1.77 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.31 7.81 48 D 7.74 4.56 0.00 2.56 2.57 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 49 K 8.08 4.57 0.00 1.83 1.71 0.00 1.25 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 1.07 7.81 50 S 8.13 4.19 0.00 4.02 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 51 E 7.94 3.64 0.00 1.69 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.95 0.00 52 W 7.59 4.47 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.15 0.00 2.24 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 0.00 2.49 2.63 0.00 54 A 8.33 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.95 0.00 1.98 1.97 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 A 8.59 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.98 4.12 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 59 A 8.35 4.55 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 60 K 8.15 3.98 0.00 2.11 1.97 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.53 7.81 61 D 8.05 4.41 0.00 2.95 2.74 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 62 D 8.65 4.38 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.23 4.16 0.00 3.13 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 64 D 8.71 4.17 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.26 3.88 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 66 A 8.08 4.05 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 67 V 7.58 3.42 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 0.92 0.00 0.00 0.12 0.00 0.00 68 K 8.16 3.85 0.00 1.92 1.97 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 E 8.07 3.99 0.00 2.01 2.13 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 2.35 2.40 0.00 70 F 7.89 4.36 0.00 3.13 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 71 E 8.22 4.12 0.00 1.99 1.96 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 2.48 2.78 0.00 72 A 7.44 4.34 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 73 N 8.39 4.57 0.00 2.98 2.91 0.00 0.00 6.14 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