NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0909 8.2676 118.0761 53.3869 40.7705 172.8556 3 L 4.7815 8.6457 122.0937 54.6404 44.8879 172.6085 4 T 5.0248 8.8797 116.2469 61.8067 71.4942 175.2118 5 V 4.5640 8.7259 126.2775 61.2223 34.3384 175.2908 6 N 4.2803 9.8320 127.5759 54.4567 36.5075 175.7680 7 G 3.9768 8.4230 104.6967 45.3662 0.0000 173.9809 8 K 4.6652 7.5944 118.9928 53.3854 34.8372 173.7460 9 P 4.6550 0.0000 0.0000 63.4694 31.9616 175.6027 10 S 4.7728 8.9685 116.7292 57.3888 66.4210 172.6614 11 T 4.9911 8.3589 119.1399 61.8568 72.5924 174.1231 12 V 4.2096 8.2967 123.1529 61.2416 33.1967 174.3361 13 D 4.6394 8.5069 127.5677 54.5447 41.7667 177.2694 14 G 4.0453 9.6492 110.9958 45.1238 0.0000 173.2148 15 A 4.6974 7.3806 120.9670 50.5791 22.0436 175.8178 16 E 4.3566 8.6111 120.2583 57.1873 30.4533 175.9028 17 S 4.8064 7.5132 110.8179 58.1962 65.4248 175.0199 18 L 4.8527 8.1731 118.7106 53.5885 46.4887 175.2095 19 N 5.0196 9.1518 119.9623 52.0226 39.1466 176.3600 20 V 3.4558 8.3619 119.0845 66.4055 31.4114 178.2413 21 T 3.9151 7.7234 115.5153 66.9237 68.3174 176.4200 22 E 4.0144 9.2742 120.7099 59.0495 29.3334 179.1820 23 L 3.9358 7.8403 120.4801 58.1166 42.2058 178.9058 24 L 3.7778 8.0398 119.0979 57.8242 41.4968 179.5767 25 S 4.0134 7.8868 112.0866 61.2733 62.1836 175.7464 26 A 4.0028 8.0414 122.3631 55.3546 18.3057 179.1471 27 L 4.0905 8.0544 113.9916 54.3642 42.9027 177.1703 28 K 3.7850 7.9459 118.5388 57.5569 31.8192 175.6821 29 V 3.4502 7.7074 117.5551 63.0639 32.3073 175.4191 30 A 4.0392 8.6169 130.3012 53.8417 19.2368 176.7762 31 Q 3.9358 9.1330 118.2222 55.5047 26.5241 175.9111 32 A 4.1779 8.1388 119.9856 55.0850 19.4641 179.5389 33 E 4.2266 8.6206 115.6419 59.3988 30.2085 176.7525 34 Y 4.9400 7.9318 113.1762 56.6396 37.9609 175.2918 35 V 4.5025 7.4618 118.5543 60.0846 35.3436 176.7150 36 T 4.6926 9.1878 119.6425 62.0234 70.9690 173.5163 37 V 4.8515 8.5374 125.3800 61.1775 34.3134 173.7741 38 E 5.1350 8.9993 127.2890 54.3963 32.7138 174.6220 39 L 4.8661 8.6523 125.9919 53.4185 44.9338 176.1585 40 N 4.0375 10.1320 125.9433 54.5320 36.6676 175.4032 41 G 3.8964 8.4638 102.3860 45.4806 0.0000 173.0848 42 E 4.5856 7.7791 120.3016 53.5755 32.0289 175.0607 43 V 4.1504 8.3758 126.3503 63.0700 32.1015 175.2617 44 L 4.7022 8.8074 128.2025 53.7995 43.6787 175.6920 45 E 4.4046 8.5093 120.5495 54.8284 30.8788 177.3077 46 R 2.0000 8.4626 124.7119 58.5538 30.1517 177.9403 47 E 3.7833 7.9069 117.0104 58.2140 29.8879 176.8234 48 A 4.7041 8.0511 120.6425 51.7684 19.4507 178.3317 49 F 4.4728 8.1148 119.4025 61.7345 39.1144 177.7579 50 D 4.3812 8.2732 118.9302 56.6149 40.9207 177.0616 51 A 4.3625 7.9002 120.4407 53.9114 19.9023 177.5744 52 T 4.1749 8.2980 114.3452 63.9829 69.4174 174.1383 53 T 5.0275 8.5376 122.5742 61.7080 71.8030 173.5156 54 V 4.4496 9.0636 125.7072 61.3135 33.8136 174.8862 55 K 5.0662 9.5466 126.6011 53.7393 36.3124 174.9026 56 D 4.6519 8.6082 120.1633 56.5318 41.1248 176.7034 57 G 3.9778 9.7245 116.0518 45.2371 0.0000 173.3511 58 D 4.7693 8.0095 119.4739 54.0898 42.6968 175.1612 59 A 5.0576 9.2432 122.8637 50.4418 21.3678 175.8069 60 V 4.7100 8.7736 116.3864 59.7472 34.9714 175.0244 61 E 4.7946 8.8401 122.8887 54.4614 33.6615 174.6275 62 F 5.2923 9.2670 122.8426 55.8819 40.8196 175.0300 63 L 4.9238 9.0655 123.8275 52.9674 45.7557 175.3166 64 Y 5.0093 8.4695 118.3505 56.5524 40.5539 175.3861 65 F 4.5450 9.3511 122.8339 55.6607 41.4729 174.9609 *67 G 3.7509 8.1963 110.5360 45.8253 0.0000 173.9523 68 G 3.9594 8.2898 109.6552 42.8917 0.0000 174.3656 69 G 3.7496 7.5601 110.6333 46.3742 0.0000 171.4363 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 N 8.27 5.09 0.00 2.85 2.80 0.00 0.00 6.52 5.85 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 3 L 8.65 4.78 0.00 1.84 1.71 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.88 5.02 4.20 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 1.19 0.00 0.00 5 V 8.73 4.56 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 1.12 0.00 0.00 0.95 0.00 0.00 6 N 9.83 4.28 0.00 2.90 2.89 0.00 0.00 7.14 7.26 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 7 G 8.42 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 8 K 7.59 4.67 0.00 1.78 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.52 7.81 9 P 0.00 4.66 0.00 1.93 1.99 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 S 8.97 4.77 0.00 3.88 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 11 T 8.36 4.99 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 1.24 0.00 0.00 12 V 8.30 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 13 D 8.51 4.64 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00 14 G 9.65 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.38 4.70 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.36 0.00 1.96 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 2.26 2.22 0.00 17 S 7.51 4.81 0.00 3.89 3.78 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 18 L 8.17 4.85 0.00 1.61 1.54 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.15 5.02 0.00 3.17 2.95 0.00 0.00 6.70 7.07 0.00 0.00 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 V 8.36 3.46 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 0.15 0.00 0.00 0.82 0.00 0.00 21 T 7.72 3.92 4.47 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 1.27 0.00 0.00 22 E 9.27 4.01 0.00 2.10 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 2.34 2.55 0.00 23 L 7.84 3.94 0.00 1.91 1.79 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.04 3.78 0.00 1.90 1.66 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.89 4.01 0.00 3.90 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 26 A 8.04 4.00 1.32 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 27 L 8.05 4.09 0.00 1.60 1.66 1.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.95 3.78 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.33 7.81 29 V 7.71 3.45 1.83 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 0.50 0.00 0.00 0.12 0.00 0.00 30 A 8.62 4.04 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 31 Q 9.13 3.94 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 32 A 8.14 4.18 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 E 8.62 4.23 0.00 2.36 2.30 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 2.50 2.50 0.00 34 Y 7.93 4.94 0.00 2.94 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 35 V 7.46 4.50 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 0.80 0.00 0.00 0.38 0.00 0.00 36 T 9.19 4.69 4.59 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 1.23 0.00 0.00 37 V 8.54 4.85 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 0.93 0.00 0.00 1.00 0.00 0.00 38 E 9.00 5.14 0.00 1.85 1.83 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 2.30 2.24 0.00 39 L 8.65 4.87 0.00 1.63 1.44 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 N 10.13 4.04 0.00 2.79 2.83 0.00 0.00 7.14 7.59 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 41 G 8.46 3.90 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 0.00 0.00 0.00 42 E 7.78 4.59 0.00 1.99 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 0.00 2.18 2.19 0.00 43 V 8.38 4.15 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 0.80 0.00 0.00 0.92 0.00 0.00 44 L 8.81 4.70 0.00 1.85 1.87 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.51 4.40 0.00 1.89 1.77 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 2.28 2.27 0.00 46 R 8.46 2.00 0.00 1.21 1.51 0.00 2.92 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.00 47 E 7.91 3.78 0.00 1.83 1.89 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 2.24 2.32 0.00 48 A 8.05 4.70 1.32 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 49 F 8.11 4.47 0.00 3.15 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 50 D 8.27 4.38 0.00 2.71 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 51 A 7.90 4.36 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 52 T 8.30 4.17 4.28 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 1.21 0.00 0.00 53 T 8.54 5.03 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 1.22 0.00 0.00 54 V 9.06 4.45 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 0.93 0.00 0.00 0.88 0.00 0.00 55 K 9.55 5.07 0.00 1.65 1.67 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 56 D 8.61 4.65 0.00 2.60 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 57 G 9.72 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 58 D 8.01 4.77 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 5.06 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 0.00 0.00 0.00 0.00 0.00 60 V 8.77 4.71 1.63 0.00 0.00 0.00 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 0.72 0.00 0.00 61 E 8.84 4.79 0.00 1.70 1.68 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 2.11 2.13 0.00 62 F 9.27 5.29 0.00 2.90 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 L 9.07 4.92 0.00 1.74 1.38 1.10 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.47 5.01 0.00 2.77 2.91 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 65 F 9.35 4.54 0.00 3.02 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 *67 G 8.20 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 68 G 8.29 3.96 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 0.00 0.00 0.00 69 G 7.56 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 * Residues marked with a * may have inaccurate shift predictions.