NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8037 8.3549 109.7351 45.4930 0.0000 175.2322 2 S 3.6685 8.1363 115.1375 57.2645 65.4681 174.7198 3 F 5.1691 8.1919 122.9279 58.1003 39.6673 176.6393 4 R 4.5277 9.0228 128.7116 56.8384 30.3956 175.9284 5 V 3.9226 7.7233 111.7788 61.3281 32.1126 175.6816 6 K 4.3795 8.2193 120.9265 54.2073 32.9014 173.7608 7 P 4.7883 0.0000 0.0000 61.4628 32.4490 175.3822 8 C 4.3144 8.3492 119.8638 59.9651 31.6500 173.4892 9 V 4.3054 8.0274 112.2827 62.1230 33.8183 178.4823 10 V 3.3795 7.8623 117.8401 64.9756 31.7053 176.0742 11 C 4.6176 7.5801 115.2178 58.7030 30.4351 174.8617 12 K 4.0091 8.1761 113.9512 57.3335 29.7715 175.4886 13 V 4.2633 7.9493 110.0111 60.9584 32.4170 175.3636 14 A 4.7744 7.4442 121.7073 49.5716 21.8313 173.9030 15 P 4.3735 0.0000 0.0000 62.7980 32.1726 176.0175 16 R 5.4737 8.1425 134.3118 55.3097 33.0371 173.4086 17 D 4.2423 7.7887 123.7592 51.5877 41.0302 175.9399 18 W 5.7012 7.1889 115.8683 55.2932 31.7099 173.5089 19 R 5.0080 9.7993 121.2064 55.0783 34.0512 173.3882 20 V 4.7511 8.4995 121.6415 60.9479 33.5560 174.9399 21 K 4.0998 9.8028 130.4150 55.1174 32.3427 174.6266 22 N 3.9321 9.3198 116.7574 55.3662 36.0813 174.6045 23 R 4.0443 8.3062 124.1172 56.5204 29.2764 176.0758 24 H 5.3923 8.3384 115.0920 54.1642 32.1323 173.2327 25 L 5.1001 8.9643 120.8415 53.0684 44.3202 175.4021 26 R 5.1375 9.5493 124.9772 54.6981 32.4709 174.9442 27 I 4.8883 8.8779 126.7861 59.9507 40.5698 173.9441 28 Y 5.0802 8.2730 120.4473 56.3843 40.6877 175.7699 29 N 4.8076 8.9274 119.1597 55.3341 39.7143 175.1337 30 M 4.8682 7.8827 116.6937 53.6508 36.1245 174.5142 31 C 4.9639 8.5717 119.6013 58.9151 29.3247 174.6890 32 K 3.9050 8.6359 120.7090 60.6886 31.4338 178.2062 33 T 3.9073 7.9376 115.8797 66.5116 67.6803 176.0836 34 C 4.0472 8.0324 116.0833 61.3109 29.3543 175.7204 35 F 4.4655 8.5911 122.9269 61.4780 39.4187 176.5581 36 N 3.8376 7.9761 116.0022 56.1085 38.2115 177.0316 37 N 4.2963 8.3559 119.0579 56.4572 38.7782 176.9772 38 S 3.8576 9.3557 116.0409 61.6132 62.8443 176.7057 39 I 3.6734 7.3465 123.0474 64.4358 36.4844 177.6858 40 K 4.1218 7.7282 118.7821 58.9099 32.1181 179.1570 41 S 4.3818 9.0924 117.9871 61.7454 62.7377 176.9814 42 G 3.7485 8.0293 107.8045 47.2555 0.0000 174.7204 43 D 4.9843 9.4891 123.4073 54.3899 41.9878 174.6501 44 D 4.6055 7.3676 113.6442 52.6342 42.4984 173.4005 45 T 4.2576 7.7800 113.2798 63.2372 73.2690 174.0884 46 Y 3.8616 8.0732 116.6631 59.1039 36.0309 170.8820 47 H 4.4640 8.5955 115.6853 56.0244 28.1230 174.7392 48 G 3.4011 7.8585 109.8980 45.3664 0.0000 170.2826 49 H 5.2984 8.3551 116.5466 53.6430 32.9585 172.0956 50 V 4.7736 8.3776 118.7155 61.2148 34.4984 173.7508 51 D 5.4915 8.5493 126.7783 52.2919 43.6458 174.7955 52 W 5.1634 9.7220 134.1997 54.9003 33.1535 174.7269 53 L 5.1170 9.3126 127.1886 52.3089 44.6070 177.3501 54 M 4.6472 8.6660 116.5599 55.4797 30.8618 175.6671 55 Y 4.4364 8.7001 122.3108 59.8935 45.7729 174.6944 56 T 4.7907 7.5383 114.1570 61.9223 72.9403 171.6382 57 D 4.7373 8.2099 121.5194 52.5172 44.1573 174.6454 58 A 4.8228 8.5808 124.4572 50.2498 23.2674 175.0069 59 K 4.8723 8.4945 117.5612 54.6574 35.8688 176.9621 60 E 4.6651 8.9857 121.1351 55.1537 29.9087 175.8187 61 F 4.1862 8.7897 129.3680 57.9594 37.6750 178.1160 62 S 4.1366 9.6106 131.3581 59.8169 61.9655 172.1607 63 S 4.4227 8.7898 124.0678 60.4442 64.4837 175.1661 *64 T 4.1654 7.8330 116.3293 60.5308 68.9115 175.0662 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 G 8.35 3.80 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 0.00 0.00 0.00 2 S 8.14 3.67 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 5.17 0.00 3.09 2.23 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 4 R 9.02 4.53 0.00 1.89 2.02 0.00 3.27 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 5 V 7.72 3.92 2.22 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 0.99 0.00 0.00 1.00 0.00 0.00 6 K 8.22 4.38 0.00 1.69 1.77 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.52 7.81 7 P 0.00 4.79 0.00 2.25 2.09 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 8 C 8.35 4.31 0.00 2.99 3.15 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 9 V 8.03 4.31 2.05 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 0.87 0.00 0.00 0.82 0.00 0.00 10 V 7.86 3.38 2.05 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 0.69 0.00 0.00 0.80 0.00 0.00 11 C 7.58 4.62 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.18 4.01 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.47 7.81 13 V 7.95 4.26 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 0.68 0.00 0.00 0.96 0.00 0.00 14 A 7.44 4.77 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 15 P 0.00 4.37 0.00 2.38 2.33 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 16 R 8.14 5.47 0.00 2.07 2.30 0.00 3.46 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 17 D 7.79 4.24 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.19 5.70 0.00 3.38 3.10 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 19 R 9.80 5.01 0.00 2.01 1.80 0.00 3.17 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 20 V 8.50 4.75 2.14 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 0.92 0.00 0.00 1.02 0.00 0.00 21 K 9.80 4.10 0.00 1.66 1.72 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.35 7.81 22 N 9.32 3.93 0.00 2.77 2.91 0.00 0.00 7.25 7.64 0.00 0.00 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 R 8.31 4.04 0.00 1.88 2.10 0.00 3.37 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 24 H 8.34 5.39 0.00 3.21 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.96 5.10 0.00 1.62 1.61 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.55 5.14 0.00 1.76 1.63 0.00 3.42 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.57 0.00 27 I 8.88 4.89 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 1.02 0.00 0.00 28 Y 8.27 5.08 0.00 3.24 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 29 N 8.93 4.81 0.00 2.83 3.07 0.00 0.00 7.40 8.02 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 30 M 7.88 4.87 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 31 C 8.57 4.96 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.64 3.90 0.00 1.73 1.79 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.42 7.81 33 T 7.94 3.91 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 1.20 0.00 0.00 34 C 8.03 4.05 0.00 3.16 3.21 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 35 F 8.59 4.47 0.00 3.04 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 36 N 7.98 3.84 0.00 2.83 2.69 0.00 0.00 7.22 7.12 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 37 N 8.36 4.30 0.00 2.94 2.84 0.00 0.00 6.95 8.11 0.00 0.00 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 9.36 3.86 0.00 4.27 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 0.00 39 I 7.35 3.67 1.79 0.00 0.00 0.50 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 0.35 0.78 0.00 0.00 40 K 7.73 4.12 0.00 1.75 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 41 S 9.09 4.38 0.00 3.82 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 42 G 8.03 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 0.00 0.00 0.00 43 D 9.49 4.98 0.00 2.77 2.73 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 44 D 7.37 4.61 0.00 2.56 2.44 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 45 T 7.78 4.26 2.69 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 0.76 0.00 0.00 46 Y 8.07 3.86 0.00 3.27 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 47 H 8.60 4.46 0.00 3.30 3.39 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.86 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.36 5.30 0.00 2.93 3.25 0.00 5.21 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.38 4.77 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 0.80 0.00 0.00 1.09 0.00 0.00 51 D 8.55 5.49 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.72 5.16 0.00 3.46 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 53 L 9.31 5.12 0.00 1.91 1.52 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.67 4.65 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.79 0.00 55 Y 8.70 4.44 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.54 4.79 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 1.20 0.00 0.00 57 D 8.21 4.74 0.00 1.94 1.87 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 58 A 8.58 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.49 4.87 0.00 1.58 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.33 7.81 60 E 8.99 4.67 0.00 1.95 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 1.94 1.75 0.00 61 F 8.79 4.19 0.00 2.99 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.61 4.14 0.00 3.89 3.91 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 0.00 0.00 0.00 0.00 63 S 8.79 4.42 0.00 4.04 4.08 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 *64 T 7.83 4.17 4.26 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.