NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3234 8.2549 119.7091 56.2080 32.3556 177.0356 9 C 4.2824 8.0911 113.8546 56.9578 40.8410 172.4962 10 T 3.9124 9.3607 120.8936 66.6749 69.2251 175.6102 11 C 4.6270 8.7063 120.3922 55.9723 40.4831 173.6009 12 I 3.9240 8.4528 126.4947 63.0327 37.2994 176.5421 13 S 4.4571 7.6745 115.2130 55.8640 64.1718 173.4986 14 I 3.8622 8.2388 119.4734 60.9056 37.8761 176.0297 15 S 4.5156 9.2635 119.2793 57.9694 63.2193 173.2005 16 N 4.8127 8.4485 120.4307 54.2866 40.3793 175.9535 17 Q 4.1695 7.8996 116.8614 54.5496 29.4505 174.0328 18 P 4.1723 0.0000 0.0000 63.1868 31.8958 175.5873 19 V 4.1134 8.0551 121.4924 60.5985 32.8164 174.3940 20 N 4.2921 8.8817 126.0698 53.5759 38.4857 173.5603 21 P 4.1525 0.0000 0.0000 65.1905 31.8271 177.0162 22 R 4.3659 7.9306 117.6386 57.8371 31.4857 178.4049 23 S 4.2842 8.4930 108.4315 58.9047 62.4269 172.6858 24 L 4.4774 7.8896 123.8967 53.9707 43.0195 175.8010 25 E 4.2442 8.9467 127.8182 58.8320 31.0393 176.1447 26 K 4.8172 7.6316 118.0979 55.1344 35.8042 174.1268 27 L 5.3859 8.5125 127.9117 53.2284 45.1541 175.1711 28 E 4.8056 9.0114 122.8905 54.6313 33.2781 174.2048 29 I 4.9271 8.4646 122.7273 59.7434 39.8046 175.2032 30 I 4.4829 8.6995 128.8839 58.3153 38.6929 173.2145 31 P 4.5956 0.0000 0.0000 62.3962 31.9802 175.7817 32 A 4.1541 8.5673 122.9717 52.9763 18.9096 177.0663 33 S 4.6273 8.5573 116.3750 56.3120 65.8317 174.5829 34 Q 4.0719 7.9875 115.3618 56.9573 27.9921 176.2726 35 F 5.0234 7.2263 114.9777 56.8231 40.8068 174.3160 36 C 5.0790 8.1657 116.4990 55.0700 45.4597 172.5671 37 P 4.0195 0.0000 0.0000 63.8739 31.3088 176.5464 38 R 4.7974 8.1829 115.7985 53.9946 32.5357 175.4078 39 V 3.9696 8.5941 121.7078 62.5424 31.7869 175.0837 40 E 4.7621 9.1018 125.3440 54.5976 32.7578 175.7280 41 I 4.8925 8.0697 121.5908 59.9967 41.0815 173.9864 42 I 4.8799 8.5592 128.9238 59.7343 39.1807 174.8880 43 A 4.7488 9.4175 130.6947 50.7205 20.8911 175.6817 44 T 4.7188 9.0188 120.7518 63.2554 70.2903 174.2637 45 M 4.3324 9.0284 126.7765 54.1906 33.7716 176.2465 46 K 4.7011 8.5394 119.1147 57.7822 32.9149 176.7322 47 K 3.9311 8.3482 115.1902 58.7665 32.9605 176.8233 48 K 3.4905 9.5865 123.1322 60.3304 31.1669 175.7221 49 G 4.2211 8.1473 103.2834 44.6587 0.0000 175.3858 50 E 4.3142 7.6287 119.8431 56.0963 31.7083 177.2429 51 K 5.0545 8.3655 119.3536 54.8956 35.0873 176.0428 52 R 4.5438 8.4815 123.5123 55.3848 33.9618 173.1607 53 C 5.0024 8.9415 124.5255 56.9584 41.4349 173.5091 54 L 4.7409 9.3046 125.4708 53.7669 43.5579 176.2254 55 N 4.7319 8.4704 119.2406 51.2658 39.0879 173.4467 56 P 4.3705 0.0000 0.0000 63.9638 31.5009 176.3251 57 E 4.3672 8.9439 120.3000 57.7809 31.2787 176.7390 58 S 4.0372 7.8256 114.5994 59.0029 62.9369 175.4967 59 K 3.8993 8.9370 125.4086 59.3043 31.6374 178.6378 60 A 3.9928 7.9320 120.7325 55.1743 18.3359 179.0438 61 I 3.7364 7.5591 117.9549 64.8670 36.0625 178.4293 62 K 3.8337 8.1746 118.3398 59.9677 31.8445 178.6735 63 N 4.5616 7.8014 115.1341 55.6985 38.6933 177.1708 64 L 3.9330 8.5095 122.5981 58.3815 41.9730 179.1779 65 L 4.0536 8.0750 117.5849 57.3396 41.4828 179.6273 66 K 4.0927 7.1870 115.0357 59.3774 32.2802 178.5431 67 A 4.1410 8.1693 119.9219 54.9344 18.8700 178.6334 68 V 3.9384 7.7138 116.3577 62.3878 31.2476 174.5522 69 S 4.3820 7.4838 116.5121 58.1956 67.0902 175.6075 *70 K 4.1215 8.4745 121.6705 55.3250 32.1496 171.6525 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 8 R 8.25 4.32 0.00 1.85 2.10 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 9 C 8.09 4.28 0.00 3.06 3.05 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 10 T 9.36 3.91 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 1.22 0.00 0.00 11 C 8.71 4.63 0.00 3.13 3.05 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 12 I 8.45 3.92 1.87 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 1.47 0.77 0.91 0.00 0.00 13 S 7.67 4.46 0.00 3.91 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 14 I 8.24 3.86 2.02 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 1.30 0.60 0.91 0.00 0.00 15 S 9.26 4.52 0.00 3.73 3.87 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 16 N 8.45 4.81 0.00 2.72 2.82 0.00 0.00 6.99 7.69 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 17 Q 7.90 4.17 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 18 P 0.00 4.17 0.00 2.03 2.01 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 19 V 8.06 4.11 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 0.79 0.00 0.00 0.93 0.00 0.00 20 N 8.88 4.29 0.00 2.79 2.72 0.00 0.00 6.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.15 0.00 2.21 2.19 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 22 R 7.93 4.37 0.00 2.02 1.99 0.00 3.29 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 23 S 8.49 4.28 0.00 4.00 4.09 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 24 L 7.89 4.48 0.00 1.58 1.61 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.95 4.24 0.00 2.18 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 2.29 2.25 0.00 26 K 7.63 4.82 0.00 1.84 1.57 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.43 7.81 27 L 8.51 5.39 0.00 1.62 1.47 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.01 4.81 0.00 2.06 1.97 0.00 0.00 0.00 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 2.27 0.00 29 I 8.46 4.93 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 1.35 0.94 0.96 0.00 0.00 30 I 8.70 4.48 1.89 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 1.30 0.75 0.94 0.00 0.00 31 P 0.00 4.60 0.00 2.06 2.06 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 32 A 8.57 4.15 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 33 S 8.56 4.63 0.00 3.88 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 34 Q 7.99 4.07 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 35 F 7.23 5.02 0.00 2.99 2.95 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 0.00 0.00 0.00 36 C 8.17 5.08 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.02 0.00 2.21 2.20 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 38 R 8.18 4.80 0.00 1.74 1.88 0.00 3.08 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 V 8.59 3.97 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 0.72 0.00 0.00 0.93 0.00 0.00 40 E 9.10 4.76 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.57 0.00 41 I 8.07 4.89 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 1.35 0.98 0.91 0.00 0.00 42 I 8.56 4.88 1.87 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 1.17 1.03 0.91 0.00 0.00 43 A 9.42 4.75 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 44 T 9.02 4.72 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 45 M 9.03 4.33 0.00 1.89 1.96 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 2.56 2.65 0.00 46 K 8.54 4.70 0.00 1.86 1.69 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.39 7.81 47 K 8.35 3.93 0.00 1.78 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.42 7.81 48 K 9.59 3.49 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.48 7.81 49 G 8.15 4.22 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 0.00 50 E 7.63 4.31 0.00 2.11 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 0.00 2.29 2.29 0.00 51 K 8.37 5.05 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.34 7.81 52 R 8.48 4.54 0.00 1.88 1.72 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 53 C 8.94 5.00 0.00 2.93 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 54 L 9.30 4.74 0.00 1.42 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.47 4.73 0.00 2.90 2.73 0.00 0.00 6.60 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.37 0.00 2.21 2.16 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 57 E 8.94 4.37 0.00 1.87 2.04 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 2.22 2.29 0.00 58 S 7.83 4.04 0.00 3.87 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 59 K 8.94 3.90 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 60 A 7.93 3.99 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 61 I 7.56 3.74 1.97 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 1.66 1.17 0.91 0.00 0.00 62 K 8.17 3.83 0.00 1.90 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.54 1.73 7.81 63 N 7.80 4.56 0.00 2.91 2.85 0.00 0.00 6.62 6.62 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 64 L 8.51 3.93 0.00 1.71 1.84 0.92 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.07 4.05 0.00 1.61 1.72 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.19 4.09 0.00 1.91 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.71 7.81 67 A 8.17 4.14 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 68 V 7.71 3.94 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 0.79 0.00 0.00 1.04 0.00 0.00 69 S 7.48 4.38 0.00 3.84 3.74 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 *70 K 8.47 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.