NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2927 8.2493 123.5816 52.1170 19.3943 176.4046 2 S 4.3586 8.3739 117.6091 56.6008 64.5729 169.6320 3 V 3.7465 8.4409 123.7298 62.0708 30.6426 176.2518 4 A 4.6525 8.0108 128.7990 50.3763 21.9894 177.0735 5 T 4.3787 7.8465 109.6341 59.6974 67.9875 176.4431 6 E 4.8591 7.3411 115.3413 56.9344 30.5418 174.5638 7 L 4.5062 8.3410 123.5065 56.9347 43.9459 178.2571 8 R 4.0878 8.3409 115.6681 59.5855 30.0309 178.1556 9 C 4.4665 8.0649 112.4191 57.5579 40.6161 173.5663 10 Q 4.2818 8.1908 118.1664 56.0295 29.9683 176.8173 11 C 3.7822 7.9947 114.2854 56.6047 40.3457 173.7923 12 L 4.1230 8.2331 125.4287 56.0336 41.8730 178.8365 13 Q 4.3406 8.0005 115.0726 58.3424 30.6748 176.4176 14 T 3.4917 8.1287 101.7892 62.8983 67.3700 172.0123 15 L 4.2602 9.1384 131.5779 55.0465 42.8735 177.5670 16 Q 4.4552 8.3210 121.0082 54.9700 27.1763 175.2237 17 G 3.7284 7.7026 109.4336 45.7217 0.0000 171.6988 18 I 4.1547 7.5870 118.2120 60.3551 40.1581 175.2247 19 H 4.9176 8.4312 119.4641 54.5203 32.0242 172.9445 20 P 4.8265 0.0000 0.0000 60.8258 30.2328 176.5237 21 K 4.3062 9.0974 120.1627 56.8231 31.6207 175.7620 22 N 4.5225 7.7569 114.1457 55.2448 39.4226 174.1329 23 I 3.9869 7.6309 121.1713 62.3580 36.6410 174.9039 24 Q 4.5570 8.8720 128.9456 56.8046 31.3103 174.6707 25 S 4.7333 7.6993 111.9971 58.1987 66.2755 173.2686 26 V 5.0369 8.0067 117.3760 61.1401 33.8908 172.9721 27 N 5.2561 9.8767 120.1447 51.3996 42.4216 173.9128 28 V 5.3551 8.3331 121.0423 58.8382 33.9618 174.6219 29 K 4.6930 8.4130 125.6280 54.3006 35.9906 175.1780 30 S 4.8960 8.5663 119.9447 56.9265 63.8909 171.4807 31 P 4.6236 0.0000 0.0000 62.8436 32.2949 175.3854 32 G 4.1287 8.3671 116.7724 46.5944 0.0000 176.0605 33 P 4.5479 0.0000 0.0000 61.6007 33.3595 176.9174 34 H 4.2287 8.3975 111.9776 59.0600 28.6116 177.0746 35 C 4.4757 8.8512 118.7337 58.0015 43.7758 173.4007 36 A 3.8198 7.7220 121.2679 52.9620 16.5385 175.3583 37 Q 4.6103 7.4344 120.9090 55.1944 33.0775 175.4883 38 T 4.6362 8.0804 116.9038 63.9451 69.4285 173.1310 39 E 4.6812 8.3713 119.6531 56.0928 34.4592 176.2398 40 V 5.1276 8.0577 115.7301 60.5701 33.7527 171.9807 41 I 4.7221 8.8715 123.3390 59.7671 39.4843 175.5460 42 A 4.8660 9.3564 131.4656 51.0074 19.9780 176.4505 43 T 4.5392 8.7293 120.9735 64.0164 69.6193 175.0692 44 L 4.3873 9.1092 127.0190 54.1248 42.6889 178.1774 45 K 4.1322 8.7227 122.3305 59.0495 32.1024 177.7879 46 N 4.5144 8.0325 112.3886 53.4464 37.2691 174.7361 47 G 3.7683 8.4319 107.2093 46.8862 0.0000 173.3031 48 R 4.9923 7.1334 117.5265 54.4219 33.6442 175.3539 49 K 5.1896 8.3276 116.3773 56.5572 35.4082 175.0416 50 A 4.8122 8.9135 122.4903 50.6381 23.2166 174.0052 51 C 6.1198 8.9823 118.3811 54.1069 46.9643 172.4556 52 L 5.2532 8.2467 122.8854 54.2055 44.1287 176.1571 53 N 4.6987 8.6317 117.2490 51.0323 37.3972 174.4716 54 P 4.1994 0.0000 0.0000 65.2645 31.7089 178.2150 55 A 4.0677 7.9778 121.1175 54.7584 18.7587 178.4558 56 S 4.3036 8.1689 110.5386 57.6105 64.1382 173.2684 57 P 4.2038 0.0000 0.0000 66.2118 31.8061 178.2817 58 I 3.8167 7.7784 120.1712 63.8485 37.0795 178.4555 59 V 3.5822 7.7024 118.3062 65.7897 31.4552 177.6786 60 K 3.9476 8.1786 119.2520 58.9064 31.5576 178.7456 61 K 3.8814 7.9600 120.1573 59.7767 32.2670 178.5180 62 I 3.6668 7.5200 120.0079 64.7721 36.9199 178.3142 63 I 3.7103 7.6371 119.6340 64.4763 37.0985 178.1246 64 E 3.9377 7.9211 118.9822 59.2755 28.8709 179.4883 65 K 3.9164 9.1069 120.5596 59.8717 32.1077 178.7215 66 M 4.2803 7.8765 117.6330 58.5227 31.8904 178.5094 67 L 4.1585 7.9161 118.5997 56.1050 41.9760 178.6289 68 N 4.2254 8.6246 116.5400 52.8086 39.6999 175.6967 69 S 3.5669 5.8100 109.9037 59.1495 61.4544 169.5114 70 D 4.8742 7.5352 122.2652 52.0639 43.5059 176.6570 71 K 3.9473 8.5843 118.2608 58.6802 32.7793 176.8592 72 S 4.0456 8.0359 117.3838 58.4627 63.2396 170.9443 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 1 A 8.25 4.29 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 2 S 8.37 4.36 0.00 4.06 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 3 V 8.44 3.75 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 0.74 0.00 0.00 0.92 0.00 0.00 4 A 8.01 4.65 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 5 T 7.85 4.38 4.25 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 1.21 0.00 0.00 6 E 7.34 4.86 0.00 2.05 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 2.14 2.28 0.00 7 L 8.34 4.51 0.00 1.56 1.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.34 4.09 0.00 1.88 2.05 0.00 3.40 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 9 C 8.06 4.47 0.00 2.97 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 10 Q 8.19 4.28 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 11 C 7.99 3.78 0.00 2.96 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 12 L 8.23 4.12 0.00 1.63 1.66 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.00 4.34 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.27 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 14 T 8.13 3.49 4.35 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 1.22 0.00 0.00 15 L 9.14 4.26 0.00 1.63 1.63 0.93 0.70 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 16 Q 8.32 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 17 G 7.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.59 4.15 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.92 0.00 0.00 19 H 8.43 4.92 0.00 3.12 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.83 0.00 2.14 1.12 0.00 3.80 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 21 K 9.10 4.31 0.00 1.85 2.01 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.46 7.81 22 N 7.76 4.52 0.00 2.78 2.83 0.00 0.00 7.08 7.58 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 23 I 7.63 3.99 1.83 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 1.22 0.33 0.89 0.00 0.00 24 Q 8.87 4.56 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 25 S 7.70 4.73 0.00 3.89 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 26 V 8.01 5.04 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 0.74 0.00 0.00 0.95 0.00 0.00 27 N 9.88 5.26 0.00 2.50 2.70 0.00 0.00 6.79 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 28 V 8.33 5.36 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 0.92 0.00 0.00 1.00 0.00 0.00 29 K 8.41 4.69 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 30 S 8.57 4.90 0.00 3.92 3.75 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 31 P 0.00 4.62 0.00 2.11 2.17 0.00 3.53 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 32 G 8.37 4.13 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 0.00 0.00 0.00 33 P 0.00 4.55 0.00 2.00 2.12 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 34 H 8.40 4.23 0.00 3.26 3.50 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.85 4.48 0.00 3.02 3.19 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 36 A 7.72 3.82 1.42 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 0.00 0.00 0.00 37 Q 7.43 4.61 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 38 T 8.08 4.64 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 1.27 0.00 0.00 39 E 8.37 4.68 0.00 1.98 1.81 0.00 0.00 0.00 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 2.29 0.00 40 V 8.06 5.13 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 0.76 0.00 0.00 0.99 0.00 0.00 41 I 8.87 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.91 0.00 0.00 42 A 9.36 4.87 1.22 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 43 T 8.73 4.54 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 1.24 0.00 0.00 44 L 9.11 4.39 0.00 1.47 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.72 4.13 0.00 1.71 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.63 7.81 46 N 8.03 4.51 0.00 2.85 2.92 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.43 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 48 R 7.13 4.99 0.00 1.90 1.87 0.00 3.27 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 49 K 8.33 5.19 0.00 1.68 1.72 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.51 7.81 50 A 8.91 4.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 6.12 0.00 3.07 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 52 L 8.25 5.25 0.00 1.61 1.64 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.63 4.70 0.00 2.89 2.82 0.00 0.00 7.19 7.61 0.00 0.00 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 P 0.00 4.20 0.00 2.17 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 55 A 7.98 4.07 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 56 S 8.17 4.30 0.00 3.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.20 0.00 2.26 2.15 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 58 I 7.78 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.41 0.94 0.00 0.00 59 V 7.70 3.58 2.39 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 0.99 0.00 0.00 1.02 0.00 0.00 60 K 8.18 3.95 0.00 2.08 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 61 K 7.96 3.88 0.00 1.90 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 I 7.52 3.67 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.94 0.00 0.00 63 I 7.64 3.71 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.52 0.91 0.00 0.00 64 E 7.92 3.94 0.00 2.09 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 2.33 2.32 0.00 65 K 9.11 3.92 0.00 1.65 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 66 M 7.88 4.28 0.00 2.03 2.41 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 67 L 7.92 4.16 0.00 1.78 1.73 0.92 1.28 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 68 N 8.62 4.23 0.00 2.69 2.67 0.00 0.00 7.20 8.05 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 69 S 5.81 3.57 0.00 4.15 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 70 D 7.54 4.87 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 3.95 0.00 1.86 1.94 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 72 S 8.04 4.05 0.00 4.01 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