NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.4101 8.3044 118.7933 53.8802 33.4271 175.6594 21 K 3.6339 8.3235 122.0794 55.1809 32.4427 174.8221 22 T 4.3591 8.8688 115.6182 61.0452 70.8787 172.6168 23 E 5.1020 6.9118 120.0194 55.0577 34.1925 175.1705 24 W 5.2248 9.3259 119.4895 53.2894 29.7829 174.7382 25 P 4.4156 0.0000 0.0000 65.2485 31.7193 179.0087 26 E 4.2240 8.2616 116.2264 57.9571 30.0667 177.9031 27 L 4.4165 8.1444 119.5336 55.4853 42.3380 176.8989 28 V 3.8935 7.3824 119.3591 64.1232 31.7467 176.3120 29 G 3.9826 9.1545 115.9633 45.3510 0.0000 173.7690 30 K 4.3500 7.8408 119.6626 55.1320 33.3797 176.6047 31 S 4.7800 8.5177 116.9002 57.8491 64.8062 175.6713 32 V 3.6163 8.3014 123.5413 64.9582 30.9876 178.6727 33 E 3.8711 8.0209 118.7568 59.2131 29.3727 178.6490 34 E 3.8640 8.2614 119.0949 59.1033 29.6096 178.4928 35 A 3.8753 8.0011 120.7708 55.2144 18.4264 179.6579 36 K 3.7040 8.1181 116.9980 59.4115 32.2340 179.4437 37 K 3.8574 7.9088 119.7380 59.4464 32.2431 179.0444 38 V 3.5677 7.8830 118.5716 66.1115 31.4627 177.9783 39 I 3.1705 7.6359 119.8059 64.2717 36.7401 178.4540 40 L 4.2957 7.9589 119.2777 57.3378 41.1217 179.5766 41 Q 4.0308 7.6147 117.5100 58.9711 28.7544 177.7989 42 D 4.7619 8.0198 118.7036 55.7492 42.6067 176.9769 43 K 4.6831 8.4894 120.3528 53.9268 32.3213 174.5501 44 P 4.5739 0.0000 0.0000 64.0336 31.8857 177.2490 45 A 4.4407 7.8753 118.9976 51.6913 18.9070 176.7337 46 A 4.2350 7.7946 119.9525 53.1278 19.3714 178.4015 47 Q 4.3063 9.3675 121.7777 54.7982 29.7756 174.5980 48 I 4.7751 8.0800 125.3625 59.7509 38.8534 175.2986 49 I 4.4208 8.2324 126.7791 59.0523 40.9831 173.9316 50 V 4.5605 8.2951 129.0815 61.5618 32.5852 174.7701 51 L 4.8834 8.5147 127.0512 52.0295 46.3524 174.1441 52 P 4.9253 0.0000 0.0000 62.1050 32.4469 176.7309 53 V 3.9066 8.7425 124.8075 63.3184 31.7558 176.3399 54 G 3.8302 8.8442 109.7210 46.2223 0.0000 173.1449 55 T 4.5767 7.2213 108.3947 59.7207 70.9790 173.6801 56 I 4.4504 7.9983 122.3874 59.9175 38.8253 175.7659 57 V 4.6542 7.9340 116.1915 59.0842 35.5359 175.5528 58 T 3.9491 8.5271 111.2496 62.4583 68.8785 174.1270 59 A 4.7757 8.3561 126.4377 51.8754 19.7293 176.7407 60 E 4.5004 8.0515 117.4888 56.4750 31.5329 174.7494 61 Y 4.7215 8.4728 121.2420 55.9768 40.2690 175.1778 62 R 4.3468 8.1680 127.0244 54.0477 31.8776 176.5450 63 I 3.4690 8.1408 124.2995 63.1661 38.4023 176.2250 64 D 4.5617 7.9154 118.2573 53.8009 40.2834 175.3611 65 R 4.9338 7.6400 121.6184 54.8805 32.7125 175.1702 66 V 4.7671 8.3398 124.4902 61.1491 34.2611 174.5615 67 R 4.4901 8.6719 127.4772 55.7109 31.2529 176.0799 68 L 4.5666 8.6702 123.7759 53.0355 44.2585 175.4489 69 F 5.0110 8.7955 123.5407 56.3644 40.5653 175.4557 70 V 5.0236 8.6931 117.8381 59.4241 35.0320 176.0409 71 D 4.8251 8.8355 123.9141 52.3253 40.7061 177.1517 72 R 4.0950 8.4078 114.4012 58.1166 29.4579 177.0246 73 L 4.3202 8.0506 117.7939 54.4553 42.1971 176.2461 74 D 4.5127 8.1684 118.2680 55.4301 38.5642 173.2001 75 N 5.3021 7.9935 115.1531 51.3892 40.9060 174.5865 76 I 4.0742 8.6727 122.5415 61.5242 37.5555 176.7224 77 A 4.7274 8.8893 126.7685 51.8576 20.1116 175.6148 78 Q 4.5289 7.6978 115.2586 53.7383 32.2574 174.1075 79 V 3.8136 8.3824 123.3571 62.5828 32.1034 173.9695 80 P 4.7791 0.0000 0.0000 62.8992 32.3437 175.6143 81 R 5.4132 8.5431 118.8592 54.3990 32.8420 174.8322 82 V 3.9883 8.8544 121.4482 62.4506 32.5457 176.3618 83 G 3.1398 8.6101 115.5251 45.3411 0.0000 172.6483 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 *20 M 8.30 4.41 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.32 3.63 0.00 1.62 1.55 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.43 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.95 7.81 22 T 8.87 4.36 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 1.26 0.00 0.00 23 E 6.91 5.10 0.00 1.77 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 2.24 2.27 0.00 24 W 9.33 5.22 0.00 3.35 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 25 P 0.00 4.42 0.00 2.25 2.35 0.00 3.75 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 2.09 1.96 0.00 26 E 8.26 4.22 0.00 2.19 2.29 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 2.47 2.36 0.00 27 L 8.14 4.42 0.00 1.97 1.76 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.38 3.89 2.12 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 0.82 0.00 0.00 1.01 0.00 0.00 29 G 9.15 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 0.00 0.00 0.00 30 K 7.84 4.35 0.00 1.93 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 31 S 8.52 4.78 0.00 4.25 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 32 V 8.30 3.62 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 0.79 0.00 0.00 0.87 0.00 0.00 33 E 8.02 3.87 0.00 2.05 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 2.38 2.40 0.00 34 E 8.26 3.86 0.00 2.03 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 2.29 2.32 0.00 35 A 8.00 3.88 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 36 K 8.12 3.70 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.55 7.81 37 K 7.91 3.86 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.88 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.64 3.17 1.52 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 40 L 7.96 4.30 0.00 1.70 1.68 0.89 0.65 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 41 Q 7.61 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 42 D 8.02 4.76 0.00 3.24 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 43 K 8.49 4.68 0.00 1.93 1.83 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.48 7.81 44 P 0.00 4.57 0.00 2.08 2.10 0.00 3.80 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 A 7.88 4.44 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 46 A 7.79 4.23 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 47 Q 9.37 4.31 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 48 I 8.08 4.78 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.78 0.00 0.00 49 I 8.23 4.42 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.78 0.00 0.00 50 V 8.30 4.56 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.51 4.88 0.00 0.95 1.40 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.93 0.00 2.13 2.00 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 53 V 8.74 3.91 2.19 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 0.75 0.00 0.00 0.94 0.00 0.00 54 G 8.84 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 0.00 0.00 0.00 55 T 7.22 4.58 4.32 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 1.27 0.00 0.00 56 I 8.00 4.45 1.89 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 1.41 0.61 0.93 0.00 0.00 57 V 7.93 4.65 2.20 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 1.02 0.00 0.00 1.08 0.00 0.00 58 T 8.53 3.95 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 1.23 0.00 0.00 59 A 8.36 4.78 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 60 E 8.05 4.50 0.00 2.13 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 2.25 2.25 0.00 61 Y 8.47 4.72 0.00 2.91 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 62 R 8.17 4.35 0.00 1.68 1.89 0.00 3.31 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 63 I 8.14 3.47 1.86 0.00 0.00 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 1.48 0.76 0.90 0.00 0.00 64 D 7.92 4.56 0.00 2.83 2.86 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 65 R 7.64 4.93 0.00 1.87 1.87 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 66 V 8.34 4.77 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 0.80 0.00 0.00 0.90 0.00 0.00 67 R 8.67 4.49 0.00 1.73 1.27 0.00 3.32 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 68 L 8.67 4.57 0.00 1.38 1.48 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.80 5.01 0.00 3.01 2.99 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 70 V 8.69 5.02 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 0.73 0.00 0.00 1.03 0.00 0.00 71 D 8.84 4.83 0.00 2.90 2.86 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 72 R 8.41 4.10 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.05 4.32 0.00 1.81 1.74 0.93 0.91 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 74 D 8.17 4.51 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.99 5.30 0.00 3.05 2.72 0.00 0.00 7.03 7.32 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 76 I 8.67 4.07 2.07 0.00 0.00 0.84 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 0.98 0.00 0.00 77 A 8.89 4.73 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 78 Q 7.70 4.53 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 79 V 8.38 3.81 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 0.96 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.78 0.00 2.29 1.95 0.00 3.99 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 81 R 8.54 5.41 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 82 V 8.85 3.99 2.20 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 0.77 0.00 0.00 1.19 0.00 0.00 83 G 8.61 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.