NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3963 8.4293 121.4861 55.8751 31.6251 176.2465 20 I 4.4148 7.7329 107.6441 59.6612 40.5125 173.0192 21 D 5.1179 7.8320 118.4150 52.3444 45.1806 175.5200 22 Y 4.5203 8.5836 120.9071 58.5513 39.0880 177.2583 23 K 3.7151 6.7244 118.1641 58.8624 33.2420 176.4908 24 D 4.6045 8.5111 122.8115 52.8297 40.2498 176.8356 25 I 3.6408 7.6399 116.5703 64.5243 37.4736 177.5123 26 A 3.9612 7.9810 120.8913 55.0492 18.3795 179.2000 27 T 4.1250 8.1206 114.1496 66.5009 68.8454 177.3625 28 L 4.1596 7.8562 120.2557 57.7272 41.4027 179.4429 29 K 3.9029 7.9226 117.7708 59.5711 31.9810 178.6595 30 N 4.4126 7.7974 115.7786 55.1364 38.8370 175.5757 31 Y 5.0349 7.8529 118.7969 56.5222 39.5696 175.2117 32 I 4.9210 7.1418 119.0941 59.8986 41.4435 176.0360 33 T 4.2512 8.5833 115.2524 61.3333 69.7962 174.5124 34 E 3.9517 8.5613 119.3728 58.9300 30.0004 178.4639 35 S 5.2427 7.9632 115.3562 59.6950 63.1747 175.3030 36 G 3.9804 7.4143 109.1635 45.6941 0.0000 174.8600 37 K 4.1919 8.0418 119.5897 56.0742 33.4263 176.2096 38 I 4.2554 8.1098 115.3772 61.1955 38.1297 176.1023 39 V 3.9236 8.0207 118.2602 60.6128 32.1372 174.4405 40 P 4.4781 0.0000 0.0000 63.0050 32.2227 177.4691 41 S 4.5586 8.9326 117.2816 60.6289 63.0290 176.7335 42 R 3.9052 7.8752 118.6314 59.0321 29.3239 178.6491 43 I 3.8773 7.6119 119.3986 64.4843 37.4128 178.0955 44 T 4.0766 7.3258 107.9574 63.1100 68.6541 174.8589 45 G 4.0567 8.5772 109.4835 45.2592 0.0000 173.6821 46 T 3.9049 7.6742 112.3914 62.3721 67.8208 174.0174 47 R 4.0848 8.6306 125.2893 55.9375 32.0272 178.0389 48 A 3.8684 8.2796 122.2483 55.3622 18.0818 179.7282 49 K 3.6380 7.9209 117.5969 60.2568 31.9317 178.1844 50 Y 4.3747 7.4448 116.0317 60.9779 37.7913 177.5551 51 Q 3.8558 8.1611 120.6521 59.3336 29.1133 178.7780 52 R 3.8979 8.0899 118.8854 59.5001 29.8647 178.8655 53 Q 4.0034 7.7802 118.4347 58.8962 28.8824 178.2630 54 L 3.9229 8.1122 121.4209 57.9916 42.2192 178.3658 55 A 3.9569 8.1971 121.2186 55.5614 18.2316 179.7777 56 R 3.7597 7.7849 115.4452 59.2986 30.1372 179.2037 57 A 3.9654 7.6721 120.1189 55.1679 18.4324 179.7258 58 I 3.6045 8.0763 118.6547 64.4266 37.0982 178.5760 59 K 3.6040 8.2580 119.8123 59.5614 31.5301 179.6685 60 R 3.3713 7.5832 115.4755 58.6429 29.1818 178.6668 61 A 4.1421 7.6975 122.0684 55.2059 18.3798 179.7972 62 R 4.1806 7.8859 117.9741 59.0926 29.8400 178.8972 63 Y 4.5091 7.8491 115.5612 60.3108 37.8088 177.2417 64 L 4.6122 7.4233 117.8666 53.5523 42.0491 176.1346 65 S 3.9190 7.8670 111.4758 59.4291 61.2541 172.9275 66 L 4.4781 8.0756 117.0817 54.8573 41.6777 176.5061 67 L 4.6599 7.3254 117.7515 52.6898 45.7148 173.0651 68 P 4.6992 0.0000 0.0000 62.6352 32.6805 175.9260 69 Y 4.2669 8.7986 117.2505 60.2872 38.9601 175.2554 70 T 4.8850 7.3618 108.7078 60.4433 70.7318 172.9944 71 D 4.5610 8.8741 117.3383 57.3977 41.7549 178.6839 72 R 3.8869 8.0306 116.4395 59.0346 30.2903 176.3082 73 H 4.3925 7.7362 116.8810 56.2972 30.0344 173.4459 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 19 E 8.43 4.40 0.00 2.13 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 0.00 2.06 2.20 0.00 20 I 7.73 4.41 1.88 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 1.29 0.92 0.88 0.00 0.00 21 D 7.83 5.12 0.00 2.60 2.51 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 22 Y 8.58 4.52 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 23 K 6.72 3.72 0.00 1.62 1.40 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.70 7.81 24 D 8.51 4.60 0.00 2.70 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 25 I 7.64 3.64 1.87 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 1.69 0.63 0.95 0.00 0.00 26 A 7.98 3.96 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 27 T 8.12 4.12 4.36 0.00 0.00 0.00 0.00 0.00 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 28 L 7.86 4.16 0.00 1.71 1.78 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.92 3.90 0.00 1.75 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 30 N 7.80 4.41 0.00 2.09 2.55 0.00 0.00 6.95 7.47 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 31 Y 7.85 5.03 0.00 3.13 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 32 I 7.14 4.92 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 1.50 0.64 1.00 0.00 0.00 33 T 8.58 4.25 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 1.27 0.00 0.00 34 E 8.56 3.95 0.00 1.97 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 0.00 2.31 2.39 0.00 35 S 7.96 5.24 0.00 3.86 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 36 G 7.41 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 37 K 8.04 4.19 0.00 1.97 1.98 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.45 7.81 38 I 8.11 4.26 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 1.35 0.86 0.91 0.00 0.00 39 V 8.02 3.92 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 0.72 0.00 0.00 1.08 0.00 0.00 40 P 0.00 4.48 0.00 2.08 2.00 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 41 S 8.93 4.56 0.00 4.02 4.21 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 42 R 7.88 3.91 0.00 1.99 2.11 0.00 3.04 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 43 I 7.61 3.88 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.55 0.94 0.00 0.00 44 T 7.33 4.08 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 1.41 0.00 0.00 45 G 8.58 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.67 3.90 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 R 8.63 4.08 0.00 1.59 1.56 0.00 3.14 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 48 A 8.28 3.87 1.25 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 0.00 0.00 49 K 7.92 3.64 0.00 1.62 1.38 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 50 Y 7.44 4.37 0.00 3.16 2.79 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 51 Q 8.16 3.86 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 52 R 8.09 3.90 0.00 2.01 1.95 0.00 3.16 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 53 Q 7.78 4.00 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 54 L 8.11 3.92 0.00 1.75 1.84 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.20 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 3.76 0.00 1.98 1.92 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 57 A 7.67 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 3.60 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.88 0.00 0.00 59 K 8.26 3.60 0.00 1.60 1.40 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.56 7.81 60 R 7.58 3.37 0.00 1.68 1.84 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 61 A 7.70 4.14 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 62 R 7.89 4.18 0.00 1.77 1.49 0.00 2.99 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 63 Y 7.85 4.51 0.00 3.00 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 64 L 7.42 4.61 0.00 1.86 1.79 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.87 3.92 0.00 4.06 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 66 L 8.08 4.48 0.00 1.90 1.73 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.33 4.66 0.00 1.65 1.49 0.93 1.01 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 68 P 0.00 4.70 0.00 2.46 2.09 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 69 Y 8.80 4.27 0.00 3.13 3.11 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 0.00 0.00 0.00 0.00 70 T 7.36 4.88 4.29 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 1.31 0.00 0.00 71 D 8.87 4.56 0.00 2.74 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 72 R 8.03 3.89 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 73 H 7.74 4.39 0.00 3.20 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00